NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
623461 | 5mn3 | 34076 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA2 GLY 1 HA2 GLY 1 0.444 0.637 -4.823 2 HA3 GLY 1 HA3 GLY 1 2.133 0.483 -5.286 3 H SER 2 H SER 2 1.742 -2.496 -5.461 4 HA SER 2 HA SER 2 0.558 -2.463 -8.135 5 HB2 SER 2 HB2 SER 2 1.851 -4.665 -8.383 6 HB3 SER 2 HB3 SER 2 2.804 -3.184 -8.297 7 HG SER 2 HG SER 2 2.239 -4.416 -5.877 8 H MET 3 H MET 3 -1.558 -2.539 -7.071 9 HA MET 3 HA MET 3 -2.315 -5.018 -5.784 10 HB2 MET 3 HB2 MET 3 -3.985 -2.654 -6.673 11 HB3 MET 3 HB3 MET 3 -4.617 -4.043 -5.808 12 HG2 MET 3 HG2 MET 3 -4.330 -2.342 -4.211 13 HG3 MET 3 HG3 MET 3 -3.008 -3.477 -3.955 14 HE1 MET 3 HE1 MET 3 -1.422 0.004 -3.053 15 HE2 MET 3 HE2 MET 3 -1.743 -1.635 -2.487 16 HE3 MET 3 HE3 MET 3 -3.080 -0.518 -2.758 17 H SER 4 H SER 4 -2.346 -3.634 -8.934 18 HA SER 4 HA SER 4 -3.973 -5.853 -9.941 19 HB2 SER 4 HB2 SER 4 -3.200 -3.287 -11.346 20 HB3 SER 4 HB3 SER 4 -4.361 -4.491 -11.904 21 HG SER 4 HG SER 4 -5.817 -3.574 -10.723 22 H SER 5 H SER 5 -2.887 -7.484 -10.830 23 HA SER 5 HA SER 5 -0.101 -7.325 -11.369 24 HB2 SER 5 HB2 SER 5 -2.063 -9.480 -12.157 25 HB3 SER 5 HB3 SER 5 -0.313 -9.639 -12.046 26 HG SER 5 HG SER 5 -0.693 -8.943 -9.747 27 H VAL 6 H VAL 6 0.668 -6.273 -13.079 28 HA VAL 6 HA VAL 6 -0.900 -5.798 -15.406 29 HB VAL 6 HB VAL 6 0.685 -4.105 -14.782 30 HG11 VAL 6 HG11 VAL 6 3.120 -4.459 -14.856 31 HG12 VAL 6 HG12 VAL 6 2.846 -6.179 -15.137 32 HG13 VAL 6 HG13 VAL 6 2.334 -5.440 -13.621 33 HG21 VAL 6 HG21 VAL 6 1.597 -5.470 -17.311 34 HG22 VAL 6 HG22 VAL 6 1.927 -3.792 -16.875 35 HG23 VAL 6 HG23 VAL 6 0.269 -4.321 -17.159 36 H PHE 7 H PHE 7 -1.323 -7.239 -16.884 37 HA PHE 7 HA PHE 7 0.719 -8.698 -18.213 38 HB2 PHE 7 HB2 PHE 7 0.512 -10.205 -16.321 39 HB3 PHE 7 HB3 PHE 7 -1.233 -10.258 -16.524 40 HD1 PHE 7 HD1 PHE 7 1.908 -10.993 -18.387 41 HD2 PHE 7 HD2 PHE 7 -2.165 -12.012 -17.700 42 HE1 PHE 7 HE1 PHE 7 2.150 -12.943 -19.867 43 HE2 PHE 7 HE2 PHE 7 -1.932 -13.962 -19.178 44 HZ PHE 7 HZ PHE 7 0.226 -14.430 -20.264 45 H GLY 8 H GLY 8 -2.568 -7.959 -17.740 46 HA2 GLY 8 HA2 GLY 8 -2.998 -8.655 -20.563 47 HA3 GLY 8 HA3 GLY 8 -4.201 -8.964 -19.329 48 H ALA 9 H ALA 9 -4.314 -6.678 -17.954 49 HA ALA 9 HA ALA 9 -5.567 -4.921 -19.920 50 HB1 ALA 9 HB1 ALA 9 -5.738 -4.851 -16.911 51 HB2 ALA 9 HB2 ALA 9 -6.882 -5.656 -17.983 52 HB3 ALA 9 HB3 ALA 9 -6.710 -3.901 -18.034 53 H GLY 10 H GLY 10 -2.592 -5.100 -19.074 54 HA2 GLY 10 HA2 GLY 10 -2.054 -2.447 -18.071 55 HA3 GLY 10 HA3 GLY 10 -0.863 -3.649 -18.546 56 H CYS 11 H CYS 11 -3.437 -1.778 -20.097 57 HA CYS 11 HA CYS 11 -1.882 -1.574 -22.506 58 HB2 CYS 11 HB2 CYS 11 -4.600 -0.570 -21.733 59 HB3 CYS 11 HB3 CYS 11 -3.840 -0.128 -23.258 60 H THR 12 H THR 12 -2.114 0.747 -23.551 61 HA THR 12 HA THR 12 -0.720 2.512 -21.684 62 HB THR 12 HB THR 12 0.731 1.646 -23.466 63 HG1 THR 12 HG1 THR 12 1.135 3.767 -22.767 64 HG21 THR 12 HG21 THR 12 -0.906 1.207 -25.194 65 HG22 THR 12 HG22 THR 12 0.307 2.322 -25.826 66 HG23 THR 12 HG23 THR 12 -1.273 2.926 -25.330 67 H ASP 13 H ASP 13 -0.932 4.819 -22.166 68 HA ASP 13 HA ASP 13 -3.574 5.714 -22.307 69 HB2 ASP 13 HB2 ASP 13 -1.736 7.011 -21.301 70 HB3 ASP 13 HB3 ASP 13 -1.018 7.234 -22.890 71 H THR 14 H THR 14 -1.096 5.378 -24.748 72 HA THR 14 HA THR 14 -2.281 6.757 -26.867 73 HB THR 14 HB THR 14 -0.482 4.345 -27.105 74 HG1 THR 14 HG1 THR 14 0.094 7.057 -26.447 75 HG21 THR 14 HG21 THR 14 -1.258 5.117 -29.240 76 HG22 THR 14 HG22 THR 14 0.401 5.685 -29.044 77 HG23 THR 14 HG23 THR 14 -0.951 6.797 -28.798 78 H CYS 15 H CYS 15 -3.166 3.802 -25.448 79 HA CYS 15 HA CYS 15 -4.356 2.682 -27.834 80 HB2 CYS 15 HB2 CYS 15 -3.248 1.288 -26.127 81 HB3 CYS 15 HB3 CYS 15 -4.481 1.769 -24.964 82 H LYS 16 H LYS 16 -5.228 5.038 -25.697 83 HA LYS 16 HA LYS 16 -8.090 4.363 -25.870 84 HB2 LYS 16 HB2 LYS 16 -6.768 6.335 -24.014 85 HB3 LYS 16 HB3 LYS 16 -8.426 5.750 -23.942 86 HG2 LYS 16 HG2 LYS 16 -7.647 3.522 -23.410 87 HG3 LYS 16 HG3 LYS 16 -5.973 4.053 -23.552 88 HD2 LYS 16 HD2 LYS 16 -6.496 3.993 -21.253 89 HD3 LYS 16 HD3 LYS 16 -6.439 5.691 -21.737 90 HE2 LYS 16 HE2 LYS 16 -8.349 5.265 -20.274 91 HE3 LYS 16 HE3 LYS 16 -8.883 5.738 -21.885 92 HZ1 LYS 16 HZ1 LYS 16 -9.326 3.423 -22.392 93 HZ2 LYS 16 HZ2 LYS 16 -10.153 3.872 -20.989 94 HZ3 LYS 16 HZ3 LYS 16 -8.750 2.946 -20.876 95 H GLN 17 H GLN 17 -6.199 5.716 -27.791 96 HA GLN 17 HA GLN 17 -7.221 8.433 -27.920 97 HB2 GLN 17 HB2 GLN 17 -5.410 7.044 -29.893 98 HB3 GLN 17 HB3 GLN 17 -5.688 8.769 -29.739 99 HG2 GLN 17 HG2 GLN 17 -4.253 6.971 -27.818 100 HG3 GLN 17 HG3 GLN 17 -3.564 8.251 -28.813 101 HE21 GLN 17 HE21 GLN 17 -5.263 7.479 -25.936 102 HE22 GLN 17 HE22 GLN 17 -5.244 9.064 -25.265 103 H THR 18 H THR 18 -7.965 9.259 -30.068 104 HA THR 18 HA THR 18 -9.380 7.302 -31.704 105 HB THR 18 HB THR 18 -11.391 8.985 -31.637 106 HG1 THR 18 HG1 THR 18 -10.084 9.470 -29.139 107 HG21 THR 18 HG21 THR 18 -12.411 7.715 -29.785 108 HG22 THR 18 HG22 THR 18 -10.820 7.099 -29.341 109 HG23 THR 18 HG23 THR 18 -11.535 6.658 -30.892 110 HA PRO 19 HA PRO 19 -9.098 6.681 -33.584 111 HB2 PRO 19 HB2 PRO 19 -6.695 6.960 -35.253 112 HB3 PRO 19 HB3 PRO 19 -8.271 6.268 -35.654 113 HG2 PRO 19 HG2 PRO 19 -7.463 8.619 -36.681 114 HG3 PRO 19 HG3 PRO 19 -9.161 8.304 -36.280 115 HD2 PRO 19 HD2 PRO 19 -7.108 9.852 -34.747 116 HD3 PRO 19 HD3 PRO 19 -8.819 10.227 -35.034 117 H CYS 20 H CYS 20 -7.742 4.927 -32.965 118 HA CYS 20 HA CYS 20 -6.225 5.472 -30.680 119 HB2 CYS 20 HB2 CYS 20 -7.497 3.343 -31.334 120 HB3 CYS 20 HB3 CYS 20 -6.045 2.913 -32.230 121 H GLY 21 H GLY 21 -4.068 5.642 -30.307 122 HA2 GLY 21 HA2 GLY 21 -2.463 6.355 -32.591 123 HA3 GLY 21 HA3 GLY 21 -1.996 6.480 -30.904 124 H CYS 22 H CYS 22 -2.989 3.473 -30.888 125 HA CYS 22 HA CYS 22 -0.393 2.407 -30.973 126 HB2 CYS 22 HB2 CYS 22 -3.100 1.173 -30.702 127 HB3 CYS 22 HB3 CYS 22 -1.670 0.160 -30.886 128 H GLY 23 H GLY 23 -2.414 3.165 -33.500 129 HA2 GLY 23 HA2 GLY 23 -1.840 1.074 -35.323 130 HA3 GLY 23 HA3 GLY 23 -2.310 2.717 -35.754 131 H SER 24 H SER 24 0.059 3.535 -33.951 132 HA SER 24 HA SER 24 2.158 3.128 -35.969 133 HB2 SER 24 HB2 SER 24 1.779 5.510 -34.143 134 HB3 SER 24 HB3 SER 24 2.977 5.346 -35.428 135 HG SER 24 HG SER 24 0.916 4.955 -36.752 136 H GLY 25 H GLY 25 1.390 1.716 -33.305 137 HA2 GLY 25 HA2 GLY 25 3.623 0.599 -32.482 138 HA3 GLY 25 HA3 GLY 25 3.851 2.195 -31.789 139 H CYS 26 H CYS 26 2.662 -0.872 -31.248 140 HA CYS 26 HA CYS 26 0.671 -0.101 -29.284 141 HB2 CYS 26 HB2 CYS 26 1.756 -2.794 -30.102 142 HB3 CYS 26 HB3 CYS 26 0.528 -2.565 -28.864 143 H ASN 27 H ASN 27 0.945 0.005 -27.173 144 HA ASN 27 HA ASN 27 3.450 -1.016 -26.000 145 HB2 ASN 27 HB2 ASN 27 3.453 1.488 -26.208 146 HB3 ASN 27 HB3 ASN 27 2.020 1.538 -25.193 147 HD21 ASN 27 HD21 ASN 27 3.005 2.738 -23.608 148 HD22 ASN 27 HD22 ASN 27 4.222 2.098 -22.562 149 H CYS 28 H CYS 28 0.564 -1.898 -26.305 150 HA CYS 28 HA CYS 28 -0.227 -2.095 -23.514 151 HB2 CYS 28 HB2 CYS 28 -2.339 -3.095 -24.571 152 HB3 CYS 28 HB3 CYS 28 -2.038 -1.382 -24.822 153 H LYS 29 H LYS 29 -1.671 -4.459 -23.592 154 HA LYS 29 HA LYS 29 0.532 -6.391 -23.664 155 HB2 LYS 29 HB2 LYS 29 -2.149 -6.624 -22.293 156 HB3 LYS 29 HB3 LYS 29 -0.797 -7.730 -22.125 157 HG2 LYS 29 HG2 LYS 29 -0.884 -4.859 -21.202 158 HG3 LYS 29 HG3 LYS 29 -0.981 -6.293 -20.181 159 HD2 LYS 29 HD2 LYS 29 1.377 -5.494 -21.891 160 HD3 LYS 29 HD3 LYS 29 1.257 -5.293 -20.144 161 HE2 LYS 29 HE2 LYS 29 1.110 -7.687 -19.851 162 HE3 LYS 29 HE3 LYS 29 1.131 -7.929 -21.595 163 HZ1 LYS 29 HZ1 LYS 29 3.333 -6.818 -19.942 164 HZ2 LYS 29 HZ2 LYS 29 3.347 -6.890 -21.632 165 HZ3 LYS 29 HZ3 LYS 29 3.310 -8.319 -20.729 166 H GLU 30 H GLU 30 -0.140 -8.687 -24.185 167 HA GLU 30 HA GLU 30 -1.417 -8.703 -26.766 168 HB2 GLU 30 HB2 GLU 30 -0.803 -11.070 -26.828 169 HB3 GLU 30 HB3 GLU 30 0.563 -10.077 -26.344 170 HG2 GLU 30 HG2 GLU 30 0.262 -10.715 -24.037 171 HG3 GLU 30 HG3 GLU 30 -1.194 -11.620 -24.449 172 H ASP 31 H ASP 31 -2.789 -8.448 -23.949 173 HA ASP 31 HA ASP 31 -4.911 -10.439 -24.367 174 HB2 ASP 31 HB2 ASP 31 -3.743 -10.267 -22.115 175 HB3 ASP 31 HB3 ASP 31 -4.456 -8.669 -21.958 176 H CYS 32 H CYS 32 -4.192 -7.581 -25.464 177 HA CYS 32 HA CYS 32 -6.466 -5.993 -24.814 178 HB2 CYS 32 HB2 CYS 32 -4.363 -4.963 -25.484 179 HB3 CYS 32 HB3 CYS 32 -4.441 -5.771 -27.045 180 H ARG 33 H ARG 33 -8.258 -5.533 -26.121 181 HA ARG 33 HA ARG 33 -8.739 -7.398 -28.361 182 HB2 ARG 33 HB2 ARG 33 -10.448 -6.711 -26.020 183 HB3 ARG 33 HB3 ARG 33 -11.243 -6.969 -27.561 184 HG2 ARG 33 HG2 ARG 33 -11.307 -9.012 -26.364 185 HG3 ARG 33 HG3 ARG 33 -10.141 -9.206 -27.668 186 HD2 ARG 33 HD2 ARG 33 -8.308 -8.970 -26.150 187 HD3 ARG 33 HD3 ARG 33 -9.389 -8.501 -24.837 188 HE ARG 33 HE ARG 33 -9.767 -11.128 -26.043 189 HH11 ARG 33 HH11 ARG 33 -8.529 -9.256 -23.355 190 HH12 ARG 33 HH12 ARG 33 -8.532 -10.584 -22.252 191 HH21 ARG 33 HH21 ARG 33 -9.800 -12.882 -24.589 192 HH22 ARG 33 HH22 ARG 33 -9.274 -12.665 -22.956 193 H CYS 34 H CYS 34 -7.738 -4.641 -28.409 194 HA CYS 34 HA CYS 34 -10.010 -3.027 -29.210 195 HB2 CYS 34 HB2 CYS 34 -7.913 -2.194 -27.908 196 HB3 CYS 34 HB3 CYS 34 -7.153 -2.174 -29.499 197 H GLN 35 H GLN 35 -10.711 -2.895 -31.192 198 HA GLN 35 HA GLN 35 -9.699 -4.479 -33.269 199 HB2 GLN 35 HB2 GLN 35 -11.517 -2.081 -33.491 200 HB3 GLN 35 HB3 GLN 35 -11.308 -3.335 -34.703 201 HG2 GLN 35 HG2 GLN 35 -12.510 -3.661 -31.962 202 HG3 GLN 35 HG3 GLN 35 -13.363 -3.687 -33.503 203 HE21 GLN 35 HE21 GLN 35 -11.358 -5.454 -31.298 204 HE22 GLN 35 HE22 GLN 35 -11.482 -6.984 -32.086 205 H SER 36 H SER 36 -8.968 -1.241 -32.305 206 HA SER 36 HA SER 36 -7.965 -0.226 -34.703 207 HB2 SER 36 HB2 SER 36 -7.137 0.484 -31.898 208 HB3 SER 36 HB3 SER 36 -6.939 1.480 -33.343 209 HG SER 36 HG SER 36 -8.913 2.108 -33.145 210 H CYS 37 H CYS 37 -6.426 -2.180 -32.215 211 HA CYS 37 HA CYS 37 -4.063 -2.333 -33.947 212 HB2 CYS 37 HB2 CYS 37 -2.960 -2.869 -31.558 213 HB3 CYS 37 HB3 CYS 37 -3.065 -1.242 -32.218 214 H LYS 38 H LYS 38 -6.450 -3.978 -33.822 215 HA LYS 38 HA LYS 38 -5.395 -6.547 -32.846 216 HB2 LYS 38 HB2 LYS 38 -7.605 -5.770 -32.016 217 HB3 LYS 38 HB3 LYS 38 -8.194 -5.752 -33.664 218 HG2 LYS 38 HG2 LYS 38 -8.921 -7.639 -32.291 219 HG3 LYS 38 HG3 LYS 38 -8.134 -8.128 -33.794 220 HD2 LYS 38 HD2 LYS 38 -7.392 -9.564 -31.998 221 HD3 LYS 38 HD3 LYS 38 -6.052 -8.515 -32.455 222 HE2 LYS 38 HE2 LYS 38 -6.465 -7.094 -30.563 223 HE3 LYS 38 HE3 LYS 38 -7.923 -7.999 -30.158 224 HZ1 LYS 38 HZ1 LYS 38 -6.101 -8.674 -28.756 225 HZ2 LYS 38 HZ2 LYS 38 -5.142 -9.044 -30.095 226 HZ3 LYS 38 HZ3 LYS 38 -6.531 -9.952 -29.774 227 H TYR 39 H TYR 39 -4.848 -4.987 -35.371 228 HA TYR 39 HA TYR 39 -5.657 -6.947 -37.393 229 HB2 TYR 39 HB2 TYR 39 -4.884 -5.358 -39.067 230 HB3 TYR 39 HB3 TYR 39 -6.013 -4.571 -37.985 231 HD1 TYR 39 HD1 TYR 39 -2.677 -4.564 -39.344 232 HD2 TYR 39 HD2 TYR 39 -5.079 -3.022 -36.190 233 HE1 TYR 39 HE1 TYR 39 -0.996 -2.818 -38.926 234 HE2 TYR 39 HE2 TYR 39 -3.403 -1.272 -35.766 235 HH TYR 39 HH TYR 39 -0.925 -0.535 -37.912 236 H GLY 40 H GLY 40 -4.078 -7.682 -38.912 237 HA2 GLY 40 HA2 GLY 40 -1.317 -7.688 -37.896 238 HA3 GLY 40 HA3 GLY 40 -2.084 -9.163 -38.480 239 H ALA 41 H ALA 41 0.260 -7.501 -39.437 240 HA ALA 41 HA ALA 41 1.260 -7.015 -41.401 241 HB1 ALA 41 HB1 ALA 41 -1.209 -8.088 -42.759 242 HB2 ALA 41 HB2 ALA 41 0.166 -9.060 -42.242 243 HB3 ALA 41 HB3 ALA 41 0.375 -7.836 -43.497 244 H GLY 42 H GLY 42 -2.147 -6.132 -41.430 245 HA2 GLY 42 HA2 GLY 42 -2.415 -3.610 -41.191 246 HA3 GLY 42 HA3 GLY 42 -1.409 -3.545 -42.633 247 H CYS 43 H CYS 43 -4.366 -5.208 -41.486 248 HA CYS 43 HA CYS 43 -5.474 -4.719 -44.158 249 HB2 CYS 43 HB2 CYS 43 -5.892 -7.132 -42.400 250 HB3 CYS 43 HB3 CYS 43 -6.667 -6.849 -43.955 251 H THR 44 H THR 44 -7.676 -4.348 -44.282 252 HA THR 44 HA THR 44 -8.820 -3.049 -42.000 253 HB THR 44 HB THR 44 -10.789 -2.822 -43.635 254 HG1 THR 44 HG1 THR 44 -10.144 -3.240 -45.853 255 HG21 THR 44 HG21 THR 44 -8.095 -1.740 -44.485 256 HG22 THR 44 HG22 THR 44 -9.144 -1.024 -43.261 257 HG23 THR 44 HG23 THR 44 -9.664 -1.080 -44.945 258 H ASP 45 H ASP 45 -11.124 -3.627 -41.381 259 HA ASP 45 HA ASP 45 -11.261 -6.402 -40.720 260 HB2 ASP 45 HB2 ASP 45 -12.227 -4.378 -39.422 261 HB3 ASP 45 HB3 ASP 45 -13.574 -4.479 -40.550 262 H VAL 46 H VAL 46 -12.239 -4.437 -43.301 263 HA VAL 46 HA VAL 46 -14.331 -5.925 -44.446 264 HB VAL 46 HB VAL 46 -12.250 -4.213 -45.834 265 HG11 VAL 46 HG11 VAL 46 -13.489 -5.604 -47.394 266 HG12 VAL 46 HG12 VAL 46 -13.942 -3.908 -47.568 267 HG13 VAL 46 HG13 VAL 46 -15.011 -5.025 -46.719 268 HG21 VAL 46 HG21 VAL 46 -14.938 -3.452 -44.707 269 HG22 VAL 46 HG22 VAL 46 -13.883 -2.401 -45.650 270 HG23 VAL 46 HG23 VAL 46 -13.365 -2.979 -44.065 271 H CYS 47 H CYS 47 -10.849 -6.251 -44.527 272 HA CYS 47 HA CYS 47 -10.787 -8.197 -46.624 273 HB2 CYS 47 HB2 CYS 47 -8.848 -6.763 -46.156 274 HB3 CYS 47 HB3 CYS 47 -8.718 -7.448 -44.544 275 H LYS 48 H LYS 48 -11.379 -8.233 -43.242 276 HA LYS 48 HA LYS 48 -10.749 -11.048 -42.932 277 HB2 LYS 48 HB2 LYS 48 -12.024 -9.159 -40.953 278 HB3 LYS 48 HB3 LYS 48 -11.339 -10.740 -40.605 279 HG2 LYS 48 HG2 LYS 48 -9.122 -9.860 -41.331 280 HG3 LYS 48 HG3 LYS 48 -9.871 -8.265 -41.467 281 HD2 LYS 48 HD2 LYS 48 -10.483 -8.344 -39.117 282 HD3 LYS 48 HD3 LYS 48 -9.756 -9.944 -38.966 283 HE2 LYS 48 HE2 LYS 48 -7.561 -8.914 -39.627 284 HE3 LYS 48 HE3 LYS 48 -8.346 -7.340 -39.565 285 HZ1 LYS 48 HZ1 LYS 48 -7.154 -7.929 -37.492 286 HZ2 LYS 48 HZ2 LYS 48 -8.212 -9.217 -37.270 287 HZ3 LYS 48 HZ3 LYS 48 -8.802 -7.637 -37.245 288 H GLN 49 H GLN 49 -13.213 -9.390 -44.248 289 HA GLN 49 HA GLN 49 -15.543 -10.596 -43.222 290 HB2 GLN 49 HB2 GLN 49 -14.891 -9.372 -45.889 291 HB3 GLN 49 HB3 GLN 49 -16.475 -10.040 -45.537 292 HG2 GLN 49 HG2 GLN 49 -16.731 -8.453 -43.707 293 HG3 GLN 49 HG3 GLN 49 -15.131 -7.797 -44.059 294 HE21 GLN 49 HE21 GLN 49 -16.123 -5.755 -44.407 295 HE22 GLN 49 HE22 GLN 49 -16.940 -5.403 -45.889 296 H THR 50 H THR 50 -16.917 -12.131 -44.374 297 HA THR 50 HA THR 50 -15.600 -13.912 -46.236 298 HB THR 50 HB THR 50 -16.848 -14.940 -43.675 299 HG1 THR 50 HG1 THR 50 -14.389 -14.115 -44.197 300 HG21 THR 50 HG21 THR 50 -15.533 -16.448 -45.939 301 HG22 THR 50 HG22 THR 50 -17.272 -16.320 -45.701 302 HG23 THR 50 HG23 THR 50 -16.277 -17.146 -44.497 303 HA PRO 51 HA PRO 51 -15.922 -14.384 -48.111 304 HB2 PRO 51 HB2 PRO 51 -17.213 -12.814 -50.197 305 HB3 PRO 51 HB3 PRO 51 -16.657 -14.487 -50.249 306 HG2 PRO 51 HG2 PRO 51 -19.293 -13.804 -50.265 307 HG3 PRO 51 HG3 PRO 51 -18.686 -15.328 -49.598 308 HD2 PRO 51 HD2 PRO 51 -19.524 -12.837 -48.174 309 HD3 PRO 51 HD3 PRO 51 -19.776 -14.534 -47.724 310 H CYS 52 H CYS 52 -14.283 -12.939 -48.766 311 HA CYS 52 HA CYS 52 -14.034 -10.599 -47.283 312 HB2 CYS 52 HB2 CYS 52 -12.124 -11.823 -48.193 313 HB3 CYS 52 HB3 CYS 52 -12.600 -11.362 -49.823 314 H GLY 53 H GLY 53 -14.109 -8.396 -47.839 315 HA2 GLY 53 HA2 GLY 53 -15.791 -7.879 -50.202 316 HA3 GLY 53 HA3 GLY 53 -15.993 -7.034 -48.676 317 H CYS 54 H CYS 54 -12.717 -7.609 -49.601 318 HA CYS 54 HA CYS 54 -12.169 -4.846 -49.724 319 HB2 CYS 54 HB2 CYS 54 -10.612 -7.309 -50.274 320 HB3 CYS 54 HB3 CYS 54 -9.989 -5.795 -50.920 321 H ALA 55 H ALA 55 -12.523 -7.253 -52.284 322 HA ALA 55 HA ALA 55 -12.145 -5.234 -54.314 323 HB1 ALA 55 HB1 ALA 55 -11.340 -7.517 -54.671 324 HB2 ALA 55 HB2 ALA 55 -12.530 -7.064 -55.894 325 HB3 ALA 55 HB3 ALA 55 -12.994 -8.114 -54.554 326 H THR 56 H THR 56 -14.506 -5.636 -52.286 327 HA THR 56 HA THR 56 -16.672 -5.198 -54.223 328 HB THR 56 HB THR 56 -16.954 -5.989 -51.317 329 HG1 THR 56 HG1 THR 56 -16.218 -7.456 -53.478 330 HG21 THR 56 HG21 THR 56 -18.926 -4.907 -52.325 331 HG22 THR 56 HG22 THR 56 -19.226 -6.608 -51.971 332 HG23 THR 56 HG23 THR 56 -18.906 -6.096 -53.627 333 H SER 57 H SER 57 -15.277 -4.052 -51.155 334 HA SER 57 HA SER 57 -16.840 -1.578 -51.432 335 HB2 SER 57 HB2 SER 57 -17.248 -2.899 -49.352 336 HB3 SER 57 HB3 SER 57 -15.551 -2.699 -48.931 337 HG SER 57 HG SER 57 -17.066 -0.412 -49.505 338 H GLY 58 H GLY 58 -13.577 -2.838 -50.732 339 HA2 GLY 58 HA2 GLY 58 -12.178 -0.836 -51.995 340 HA3 GLY 58 HA3 GLY 58 -12.421 -0.257 -50.354 341 H CYS 59 H CYS 59 -10.320 -1.808 -52.295 342 HA CYS 59 HA CYS 59 -9.322 -3.725 -50.362 343 HB2 CYS 59 HB2 CYS 59 -9.441 -4.114 -52.878 344 HB3 CYS 59 HB3 CYS 59 -8.108 -2.977 -53.024 345 H ASN 60 H ASN 60 -7.937 -3.140 -48.839 346 HA ASN 60 HA ASN 60 -6.572 -0.564 -49.033 347 HB2 ASN 60 HB2 ASN 60 -7.810 -1.015 -46.985 348 HB3 ASN 60 HB3 ASN 60 -6.872 -2.477 -46.710 349 HD21 ASN 60 HD21 ASN 60 -4.810 -2.317 -45.850 350 HD22 ASN 60 HD22 ASN 60 -4.167 -0.831 -45.245 351 H CYS 61 H CYS 61 -5.795 -3.976 -48.630 352 HA CYS 61 HA CYS 61 -2.977 -3.471 -48.345 353 HB2 CYS 61 HB2 CYS 61 -3.002 -6.066 -48.527 354 HB3 CYS 61 HB3 CYS 61 -3.674 -5.283 -47.097 355 H THR 62 H THR 62 -1.794 -5.486 -49.777 356 HA THR 62 HA THR 62 -2.246 -4.630 -52.558 357 HB THR 62 HB THR 62 0.168 -5.092 -52.951 358 HG1 THR 62 HG1 THR 62 0.076 -5.713 -50.192 359 HG21 THR 62 HG21 THR 62 -0.393 -3.124 -50.731 360 HG22 THR 62 HG22 THR 62 -0.518 -2.807 -52.462 361 HG23 THR 62 HG23 THR 62 1.054 -3.140 -51.736 362 H ASP 63 H ASP 63 -0.880 -6.339 -54.004 363 HA ASP 63 HA ASP 63 -2.376 -8.762 -53.877 364 HB2 ASP 63 HB2 ASP 63 -1.659 -7.658 -55.996 365 HB3 ASP 63 HB3 ASP 63 0.003 -8.090 -55.626 366 H ASP 64 H ASP 64 0.121 -7.810 -52.072 367 HA ASP 64 HA ASP 64 1.771 -10.155 -51.962 368 HB2 ASP 64 HB2 ASP 64 1.655 -7.548 -50.706 369 HB3 ASP 64 HB3 ASP 64 1.965 -8.806 -49.514 370 H CYS 65 H CYS 65 -1.262 -9.218 -50.686 371 HA CYS 65 HA CYS 65 -1.282 -10.752 -48.298 372 HB2 CYS 65 HB2 CYS 65 -2.863 -8.813 -49.075 373 HB3 CYS 65 HB3 CYS 65 -3.761 -10.095 -49.877 374 H LYS 66 H LYS 66 -1.745 -12.882 -47.962 375 HA LYS 66 HA LYS 66 -1.751 -14.656 -50.209 376 HB2 LYS 66 HB2 LYS 66 -1.815 -16.462 -48.598 377 HB3 LYS 66 HB3 LYS 66 -0.660 -15.245 -48.080 378 HG2 LYS 66 HG2 LYS 66 -1.662 -15.154 -46.127 379 HG3 LYS 66 HG3 LYS 66 -3.132 -14.575 -46.909 380 HD2 LYS 66 HD2 LYS 66 -3.802 -16.933 -47.312 381 HD3 LYS 66 HD3 LYS 66 -2.371 -17.463 -46.424 382 HE2 LYS 66 HE2 LYS 66 -3.178 -16.299 -44.433 383 HE3 LYS 66 HE3 LYS 66 -4.602 -15.763 -45.320 384 HZ1 LYS 66 HZ1 LYS 66 -3.877 -18.581 -44.765 385 HZ2 LYS 66 HZ2 LYS 66 -5.253 -18.066 -45.598 386 HZ3 LYS 66 HZ3 LYS 66 -5.070 -17.696 -43.958 387 H CYS 67 H CYS 67 -4.139 -12.819 -49.131 388 HA CYS 67 HA CYS 67 -6.297 -14.694 -49.034 389 HB2 CYS 67 HB2 CYS 67 -6.161 -12.421 -47.855 390 HB3 CYS 67 HB3 CYS 67 -6.512 -11.712 -49.427 391 H GLN 68 H GLN 68 -6.812 -15.749 -50.866 392 HA GLN 68 HA GLN 68 -6.303 -14.641 -53.468 393 HB2 GLN 68 HB2 GLN 68 -7.319 -16.752 -54.323 394 HB3 GLN 68 HB3 GLN 68 -6.003 -17.016 -53.192 395 HG2 GLN 68 HG2 GLN 68 -7.549 -17.579 -51.441 396 HG3 GLN 68 HG3 GLN 68 -8.922 -17.143 -52.457 397 HE21 GLN 68 HE21 GLN 68 -6.425 -19.487 -51.868 398 HE22 GLN 68 HE22 GLN 68 -7.099 -20.750 -52.835 399 H SER 69 H SER 69 -8.529 -13.714 -51.444 400 HA SER 69 HA SER 69 -10.819 -13.821 -53.220 401 HB2 SER 69 HB2 SER 69 -10.548 -12.627 -50.459 402 HB3 SER 69 HB3 SER 69 -12.052 -12.806 -51.365 403 HG SER 69 HG SER 69 -10.343 -14.940 -50.572 404 H CYS 70 H CYS 70 -8.462 -11.451 -52.030 405 HA CYS 70 HA CYS 70 -9.781 -9.478 -53.763 406 HB2 CYS 70 HB2 CYS 70 -8.831 -7.718 -52.288 407 HB3 CYS 70 HB3 CYS 70 -9.996 -8.768 -51.491 408 H SER 71 H SER 71 -7.106 -11.396 -53.607 409 HA SER 71 HA SER 71 -5.190 -9.507 -54.604 410 HB2 SER 71 HB2 SER 71 -3.865 -11.646 -55.075 411 HB3 SER 71 HB3 SER 71 -4.264 -11.321 -53.388 412 HG SER 71 HG SER 71 -5.285 -13.123 -53.359 413 H THR 72 H THR 72 -4.061 -10.079 -56.752 414 HA THR 72 HA THR 72 -6.120 -9.999 -58.763 415 HB THR 72 HB THR 72 -4.185 -9.700 -60.352 416 HG1 THR 72 HG1 THR 72 -2.764 -10.003 -57.917 417 HG21 THR 72 HG21 THR 72 -3.643 -7.439 -59.586 418 HG22 THR 72 HG22 THR 72 -4.340 -7.810 -58.008 419 HG23 THR 72 HG23 THR 72 -5.368 -7.778 -59.443 420 H ALA 73 H ALA 73 -6.445 -11.459 -60.400 421 HA ALA 73 HA ALA 73 -5.952 -14.174 -59.724 422 HB1 ALA 73 HB1 ALA 73 -7.108 -12.993 -62.239 423 HB2 ALA 73 HB2 ALA 73 -8.016 -13.488 -60.810 424 HB3 ALA 73 HB3 ALA 73 -7.165 -14.693 -61.777 425 H CYS 74 H CYS 74 -4.694 -15.684 -60.750 426 HA CYS 74 HA CYS 74 -2.368 -14.647 -62.100 427 HB2 CYS 74 HB2 CYS 74 -2.772 -16.744 -60.367 428 HB3 CYS 74 HB3 CYS 74 -2.631 -17.566 -61.918 429 H LYS 75 H LYS 75 -1.570 -16.003 -64.058 430 HA LYS 75 HA LYS 75 -3.772 -15.961 -66.001 431 HB2 LYS 75 HB2 LYS 75 -0.783 -15.805 -66.406 432 HB3 LYS 75 HB3 LYS 75 -1.955 -15.838 -67.713 433 HG2 LYS 75 HG2 LYS 75 -1.846 -13.724 -65.573 434 HG3 LYS 75 HG3 LYS 75 -1.121 -13.574 -67.172 435 HD2 LYS 75 HD2 LYS 75 -3.277 -13.744 -68.221 436 HD3 LYS 75 HD3 LYS 75 -4.047 -14.101 -66.677 437 HE2 LYS 75 HE2 LYS 75 -4.502 -11.828 -67.098 438 HE3 LYS 75 HE3 LYS 75 -3.212 -11.838 -65.899 439 HZ1 LYS 75 HZ1 LYS 75 -1.620 -11.466 -67.707 440 HZ2 LYS 75 HZ2 LYS 75 -2.763 -10.223 -67.604 441 HZ3 LYS 75 HZ3 LYS 75 -2.898 -11.390 -68.812 442 H CYS 76 H CYS 76 -2.414 -18.225 -64.183 443 HA CYS 76 HA CYS 76 -1.816 -20.206 -66.151 444 HB2 CYS 76 HB2 CYS 76 -2.274 -20.466 -63.187 445 HB3 CYS 76 HB3 CYS 76 -1.665 -21.738 -64.243 446 H ALA 77 H ALA 77 -2.908 -22.247 -66.298 447 HA ALA 77 HA ALA 77 -5.811 -22.019 -65.907 448 HB1 ALA 77 HB1 ALA 77 -5.215 -21.663 -68.265 449 HB2 ALA 77 HB2 ALA 77 -6.150 -23.142 -68.026 450 HB3 ALA 77 HB3 ALA 77 -4.408 -23.232 -68.274 451 H ALA 78 H ALA 78 -6.780 -24.317 -66.353 452 HA ALA 78 HA ALA 78 -5.912 -26.001 -64.306 453 HB1 ALA 78 HB1 ALA 78 -7.535 -27.606 -65.171 454 HB2 ALA 78 HB2 ALA 78 -7.671 -26.673 -66.661 455 HB3 ALA 78 HB3 ALA 78 -8.208 -25.977 -65.132 456 H GLY 79 H GLY 79 -3.779 -26.513 -64.516 457 HA2 GLY 79 HA2 GLY 79 -2.372 -28.386 -64.930 458 HA3 GLY 79 HA3 GLY 79 -3.235 -28.659 -66.435 459 H SER 80 H SER 80 -2.665 -25.409 -66.193 460 HA SER 80 HA SER 80 -0.140 -25.663 -67.681 461 HB2 SER 80 HB2 SER 80 -2.380 -23.710 -68.247 462 HB3 SER 80 HB3 SER 80 -0.858 -23.827 -69.129 463 HG SER 80 HG SER 80 -1.788 -25.275 -70.305 464 H CYS 81 H CYS 81 1.248 -25.076 -66.112 465 HA CYS 81 HA CYS 81 0.820 -22.680 -64.525 466 HB2 CYS 81 HB2 CYS 81 1.788 -24.674 -63.467 467 HB3 CYS 81 HB3 CYS 81 3.114 -24.660 -64.622 468 H LYS 82 H LYS 82 1.742 -20.726 -64.942 469 HA LYS 82 HA LYS 82 3.412 -20.548 -67.359 470 HB2 LYS 82 HB2 LYS 82 1.448 -18.697 -66.099 471 HB3 LYS 82 HB3 LYS 82 2.772 -17.999 -67.016 472 HG2 LYS 82 HG2 LYS 82 0.780 -18.247 -68.382 473 HG3 LYS 82 HG3 LYS 82 2.089 -19.260 -68.984 474 HD2 LYS 82 HD2 LYS 82 1.073 -21.181 -67.780 475 HD3 LYS 82 HD3 LYS 82 -0.277 -20.135 -67.343 476 HE2 LYS 82 HE2 LYS 82 -0.833 -21.484 -69.290 477 HE3 LYS 82 HE3 LYS 82 -0.766 -19.775 -69.717 478 HZ1 LYS 82 HZ1 LYS 82 1.384 -21.768 -70.214 479 HZ2 LYS 82 HZ2 LYS 82 1.448 -20.132 -70.632 480 HZ3 LYS 82 HZ3 LYS 82 0.329 -21.150 -71.375 481 H CYS 83 H CYS 83 3.125 -18.802 -64.269 482 HA CYS 83 HA CYS 83 5.644 -17.574 -64.433 483 HB2 CYS 83 HB2 CYS 83 5.311 -17.160 -62.002 484 HB3 CYS 83 HB3 CYS 83 3.927 -16.705 -62.997 485 H GLY 84 H GLY 84 4.643 -20.699 -63.262 486 HA2 GLY 84 HA2 GLY 84 6.038 -22.550 -62.977 487 HA3 GLY 84 HA3 GLY 84 7.431 -21.479 -63.009 488 H LYS 85 H LYS 85 4.835 -20.571 -60.947 489 HA LYS 85 HA LYS 85 6.528 -21.056 -58.653 490 HB2 LYS 85 HB2 LYS 85 3.855 -19.689 -58.936 491 HB3 LYS 85 HB3 LYS 85 4.652 -19.926 -57.389 492 HG2 LYS 85 HG2 LYS 85 5.677 -18.307 -59.717 493 HG3 LYS 85 HG3 LYS 85 5.065 -17.689 -58.183 494 HD2 LYS 85 HD2 LYS 85 7.588 -19.299 -58.626 495 HD3 LYS 85 HD3 LYS 85 7.478 -17.607 -58.151 496 HE2 LYS 85 HE2 LYS 85 6.613 -20.001 -56.524 497 HE3 LYS 85 HE3 LYS 85 8.013 -18.976 -56.223 498 HZ1 LYS 85 HZ1 LYS 85 6.529 -17.128 -55.778 499 HZ2 LYS 85 HZ2 LYS 85 6.165 -18.432 -54.770 500 HZ3 LYS 85 HZ3 LYS 85 5.175 -18.095 -56.094 501 H GLY 86 H GLY 86 3.781 -22.447 -60.186 502 HA2 GLY 86 HA2 GLY 86 3.490 -24.819 -59.712 503 HA3 GLY 86 HA3 GLY 86 3.708 -24.438 -58.011 504 H CYS 87 H CYS 87 1.777 -22.332 -59.988 505 HA CYS 87 HA CYS 87 -0.600 -23.402 -58.666 506 HB2 CYS 87 HB2 CYS 87 -1.518 -21.052 -59.195 507 HB3 CYS 87 HB3 CYS 87 -0.359 -21.214 -57.881 508 H THR 88 H THR 88 -2.623 -23.137 -59.950 509 HA THR 88 HA THR 88 -2.094 -23.405 -62.820 510 HB THR 88 HB THR 88 -4.051 -25.112 -62.731 511 HG1 THR 88 HG1 THR 88 -3.648 -26.271 -60.533 512 HG21 THR 88 HG21 THR 88 -1.729 -25.680 -63.329 513 HG22 THR 88 HG22 THR 88 -2.476 -26.956 -62.367 514 HG23 THR 88 HG23 THR 88 -1.332 -25.842 -61.617 515 H GLY 89 H GLY 89 -3.023 -21.142 -61.286 516 HA2 GLY 89 HA2 GLY 89 -4.669 -19.749 -62.668 517 HA3 GLY 89 HA3 GLY 89 -5.829 -20.950 -62.107 518 HA PRO 90 HA PRO 90 -5.450 -17.305 -59.099 519 HB2 PRO 90 HB2 PRO 90 -8.179 -17.007 -58.932 520 HB3 PRO 90 HB3 PRO 90 -7.139 -16.046 -59.997 521 HG2 PRO 90 HG2 PRO 90 -8.787 -18.466 -60.603 522 HG3 PRO 90 HG3 PRO 90 -8.569 -16.996 -61.579 523 HD2 PRO 90 HD2 PRO 90 -7.291 -19.260 -62.180 524 HD3 PRO 90 HD3 PRO 90 -6.471 -17.692 -62.339 525 H ASP 91 H ASP 91 -7.708 -19.988 -59.369 526 HA ASP 91 HA ASP 91 -8.598 -20.202 -56.743 527 HB2 ASP 91 HB2 ASP 91 -8.133 -22.409 -58.745 528 HB3 ASP 91 HB3 ASP 91 -9.149 -22.526 -57.312 529 H SER 92 H SER 92 -5.662 -21.407 -58.249 530 HA SER 92 HA SER 92 -4.910 -22.621 -55.700 531 HB2 SER 92 HB2 SER 92 -3.147 -23.778 -57.183 532 HB3 SER 92 HB3 SER 92 -4.825 -24.304 -57.322 533 HG SER 92 HG SER 92 -4.297 -23.994 -59.382 534 H CYS 93 H CYS 93 -4.490 -19.769 -57.230 535 HA CYS 93 HA CYS 93 -1.636 -19.556 -56.768 536 HB2 CYS 93 HB2 CYS 93 -2.569 -18.378 -58.705 537 HB3 CYS 93 HB3 CYS 93 -3.604 -17.429 -57.644 538 H LYS 94 H LYS 94 -1.314 -19.781 -54.648 539 HA LYS 94 HA LYS 94 -2.510 -17.736 -52.895 540 HB2 LYS 94 HB2 LYS 94 -1.217 -20.378 -52.208 541 HB3 LYS 94 HB3 LYS 94 -1.736 -19.194 -51.015 542 HG2 LYS 94 HG2 LYS 94 -4.046 -19.403 -52.015 543 HG3 LYS 94 HG3 LYS 94 -3.431 -20.800 -52.896 544 HD2 LYS 94 HD2 LYS 94 -3.337 -20.507 -49.895 545 HD3 LYS 94 HD3 LYS 94 -4.614 -21.351 -50.763 546 HE2 LYS 94 HE2 LYS 94 -3.194 -23.079 -50.136 547 HE3 LYS 94 HE3 LYS 94 -2.684 -22.738 -51.785 548 HZ1 LYS 94 HZ1 LYS 94 -0.810 -23.019 -50.267 549 HZ2 LYS 94 HZ2 LYS 94 -1.346 -21.723 -49.335 550 HZ3 LYS 94 HZ3 LYS 94 -0.823 -21.463 -50.913 551 H CYS 95 H CYS 95 -0.308 -17.508 -54.800 552 HA CYS 95 HA CYS 95 2.072 -17.254 -53.204 553 HB2 CYS 95 HB2 CYS 95 1.520 -16.518 -56.079 554 HB3 CYS 95 HB3 CYS 95 3.104 -16.535 -55.311 555 H ASP 96 H ASP 96 3.290 -15.084 -53.923 556 HA ASP 96 HA ASP 96 1.628 -12.956 -52.820 557 HB2 ASP 96 HB2 ASP 96 4.608 -12.940 -53.351 558 HB3 ASP 96 HB3 ASP 96 3.700 -11.796 -52.375 559 H ARG 97 H ARG 97 3.103 -10.811 -53.861 560 HA ARG 97 HA ARG 97 1.882 -10.635 -56.484 561 HB2 ARG 97 HB2 ARG 97 2.391 -8.286 -56.338 562 HB3 ARG 97 HB3 ARG 97 1.729 -8.822 -54.800 563 HG2 ARG 97 HG2 ARG 97 4.158 -9.052 -54.043 564 HG3 ARG 97 HG3 ARG 97 4.551 -8.082 -55.464 565 HD2 ARG 97 HD2 ARG 97 2.656 -6.537 -54.555 566 HD3 ARG 97 HD3 ARG 97 2.992 -7.352 -53.033 567 HE ARG 97 HE ARG 97 5.334 -6.325 -54.334 568 HH11 ARG 97 HH11 ARG 97 2.712 -5.590 -52.109 569 HH12 ARG 97 HH12 ARG 97 3.512 -4.237 -51.399 570 HH21 ARG 97 HH21 ARG 97 6.394 -4.514 -53.397 571 HH22 ARG 97 HH22 ARG 97 5.614 -3.618 -52.144 572 H SER 98 H SER 98 4.388 -12.235 -55.803 573 HA SER 98 HA SER 98 6.454 -10.999 -57.391 574 HB2 SER 98 HB2 SER 98 6.370 -13.798 -56.262 575 HB3 SER 98 HB3 SER 98 7.796 -12.888 -56.764 576 HG SER 98 HG SER 98 7.180 -12.990 -54.404 577 H CYS 99 H CYS 99 3.691 -12.697 -58.105 578 HA CYS 99 HA CYS 99 4.674 -14.341 -60.230 579 HB2 CYS 99 HB2 CYS 99 2.021 -13.650 -59.119 580 HB3 CYS 99 HB3 CYS 99 2.053 -14.149 -60.803 581 H SER 100 H SER 100 5.149 -13.774 -62.222 582 HA SER 100 HA SER 100 4.912 -11.106 -63.157 583 HB2 SER 100 HB2 SER 100 6.702 -12.745 -63.842 584 HB3 SER 100 HB3 SER 100 5.483 -13.602 -64.782 585 HG SER 100 HG SER 100 6.363 -10.930 -65.130 586 H CYS 101 H CYS 101 2.820 -13.789 -63.119 587 HA CYS 101 HA CYS 101 1.277 -13.131 -65.419 588 HB2 CYS 101 HB2 CYS 101 0.723 -14.956 -63.081 589 HB3 CYS 101 HB3 CYS 101 -0.297 -14.825 -64.510 590 H LYS 102 H LYS 102 1.430 -11.849 -62.258 591 HA LYS 102 HA LYS 102 -1.323 -11.130 -61.982 592 HB2 LYS 102 HB2 LYS 102 1.095 -9.867 -60.669 593 HB3 LYS 102 HB3 LYS 102 -0.579 -9.634 -60.194 594 HG2 LYS 102 HG2 LYS 102 0.997 -12.190 -60.027 595 HG3 LYS 102 HG3 LYS 102 0.509 -11.158 -58.682 596 HD2 LYS 102 HD2 LYS 102 -1.864 -11.579 -59.327 597 HD3 LYS 102 HD3 LYS 102 -1.275 -12.750 -60.512 598 HE2 LYS 102 HE2 LYS 102 -1.869 -14.007 -58.592 599 HE3 LYS 102 HE3 LYS 102 -0.110 -13.915 -58.591 600 HZ1 LYS 102 HZ1 LYS 102 -0.342 -12.005 -56.999 601 HZ2 LYS 102 HZ2 LYS 102 -0.859 -13.493 -56.388 602 HZ3 LYS 102 HZ3 LYS 102 -1.991 -12.352 -56.906 Start of MODEL 2 1 HA2 GLY 1 HA2 GLY 1 -1.894 0.876 -6.717 2 HA3 GLY 1 HA3 GLY 1 -1.359 2.238 -7.690 3 H SER 2 H SER 2 -1.297 -0.728 -9.326 4 HA SER 2 HA SER 2 -4.025 -0.577 -10.278 5 HB2 SER 2 HB2 SER 2 -2.813 1.082 -11.681 6 HB3 SER 2 HB3 SER 2 -1.695 -0.183 -12.182 7 HG SER 2 HG SER 2 -3.205 -1.061 -13.424 8 H MET 3 H MET 3 -4.705 -2.618 -10.394 9 HA MET 3 HA MET 3 -2.852 -4.791 -10.297 10 HB2 MET 3 HB2 MET 3 -5.856 -4.789 -10.657 11 HB3 MET 3 HB3 MET 3 -4.879 -6.225 -10.390 12 HG2 MET 3 HG2 MET 3 -4.163 -5.282 -8.219 13 HG3 MET 3 HG3 MET 3 -5.255 -3.927 -8.484 14 HE1 MET 3 HE1 MET 3 -6.420 -4.389 -6.151 15 HE2 MET 3 HE2 MET 3 -5.326 -5.743 -5.868 16 HE3 MET 3 HE3 MET 3 -7.066 -5.959 -5.671 17 H SER 4 H SER 4 -1.826 -5.596 -11.960 18 HA SER 4 HA SER 4 -2.607 -4.952 -14.635 19 HB2 SER 4 HB2 SER 4 -0.526 -6.401 -15.136 20 HB3 SER 4 HB3 SER 4 -0.293 -4.869 -14.292 21 HG SER 4 HG SER 4 0.707 -6.968 -13.465 22 H SER 5 H SER 5 -3.869 -6.126 -15.895 23 HA SER 5 HA SER 5 -4.253 -8.967 -15.243 24 HB2 SER 5 HB2 SER 5 -6.233 -7.058 -16.507 25 HB3 SER 5 HB3 SER 5 -6.526 -8.753 -16.122 26 HG SER 5 HG SER 5 -6.011 -8.134 -13.896 27 H VAL 6 H VAL 6 -3.512 -10.312 -16.739 28 HA VAL 6 HA VAL 6 -2.829 -9.269 -19.365 29 HB VAL 6 HB VAL 6 -1.716 -11.438 -19.737 30 HG11 VAL 6 HG11 VAL 6 -0.462 -9.596 -18.803 31 HG12 VAL 6 HG12 VAL 6 0.093 -11.121 -18.110 32 HG13 VAL 6 HG13 VAL 6 -0.955 -10.055 -17.174 33 HG21 VAL 6 HG21 VAL 6 -2.547 -12.050 -16.901 34 HG22 VAL 6 HG22 VAL 6 -1.469 -13.030 -17.896 35 HG23 VAL 6 HG23 VAL 6 -3.163 -12.841 -18.352 36 H PHE 7 H PHE 7 -3.117 -11.085 -21.163 37 HA PHE 7 HA PHE 7 -4.646 -11.727 -22.710 38 HB2 PHE 7 HB2 PHE 7 -4.443 -13.770 -21.340 39 HB3 PHE 7 HB3 PHE 7 -5.769 -13.220 -20.324 40 HD1 PHE 7 HD1 PHE 7 -5.153 -13.612 -23.995 41 HD2 PHE 7 HD2 PHE 7 -7.759 -14.304 -20.703 42 HE1 PHE 7 HE1 PHE 7 -6.756 -14.711 -25.500 43 HE2 PHE 7 HE2 PHE 7 -9.367 -15.403 -22.205 44 HZ PHE 7 HZ PHE 7 -8.866 -15.608 -24.605 45 H GLY 8 H GLY 8 -5.312 -9.364 -22.469 46 HA2 GLY 8 HA2 GLY 8 -7.930 -9.004 -22.972 47 HA3 GLY 8 HA3 GLY 8 -7.854 -8.924 -21.226 48 H ALA 9 H ALA 9 -6.956 -7.211 -20.232 49 HA ALA 9 HA ALA 9 -6.707 -4.827 -21.916 50 HB1 ALA 9 HB1 ALA 9 -8.405 -4.788 -20.153 51 HB2 ALA 9 HB2 ALA 9 -7.171 -3.554 -19.894 52 HB3 ALA 9 HB3 ALA 9 -7.149 -5.037 -18.940 53 H GLY 10 H GLY 10 -4.588 -6.946 -21.055 54 HA2 GLY 10 HA2 GLY 10 -2.645 -5.361 -19.633 55 HA3 GLY 10 HA3 GLY 10 -2.386 -6.961 -20.317 56 H CYS 11 H CYS 11 -3.201 -3.756 -21.565 57 HA CYS 11 HA CYS 11 -1.538 -4.224 -23.867 58 HB2 CYS 11 HB2 CYS 11 -3.288 -1.894 -23.089 59 HB3 CYS 11 HB3 CYS 11 -2.399 -2.010 -24.608 60 H THR 12 H THR 12 -0.112 -2.416 -24.593 61 HA THR 12 HA THR 12 1.841 -1.972 -22.526 62 HB THR 12 HB THR 12 2.639 -2.673 -24.701 63 HG1 THR 12 HG1 THR 12 4.283 -1.424 -24.282 64 HG21 THR 12 HG21 THR 12 1.316 -0.177 -25.777 65 HG22 THR 12 HG22 THR 12 0.830 -1.842 -26.097 66 HG23 THR 12 HG23 THR 12 2.374 -1.243 -26.702 67 H ASP 13 H ASP 13 2.852 0.195 -22.289 68 HA ASP 13 HA ASP 13 0.875 2.143 -21.717 69 HB2 ASP 13 HB2 ASP 13 2.618 3.505 -20.880 70 HB3 ASP 13 HB3 ASP 13 3.147 1.860 -20.556 71 H THR 14 H THR 14 2.934 1.465 -24.426 72 HA THR 14 HA THR 14 2.751 3.889 -25.846 73 HB THR 14 HB THR 14 2.913 1.091 -26.998 74 HG1 THR 14 HG1 THR 14 4.855 2.782 -25.819 75 HG21 THR 14 HG21 THR 14 2.555 2.684 -28.750 76 HG22 THR 14 HG22 THR 14 4.271 2.281 -28.764 77 HG23 THR 14 HG23 THR 14 3.726 3.802 -28.047 78 H CYS 15 H CYS 15 0.403 1.575 -25.102 79 HA CYS 15 HA CYS 15 -1.259 2.024 -27.410 80 HB2 CYS 15 HB2 CYS 15 -0.994 -0.134 -26.011 81 HB3 CYS 15 HB3 CYS 15 -2.079 0.650 -24.872 82 H LYS 16 H LYS 16 -0.665 3.531 -24.427 83 HA LYS 16 HA LYS 16 -3.341 4.637 -24.089 84 HB2 LYS 16 HB2 LYS 16 -0.831 5.413 -22.589 85 HB3 LYS 16 HB3 LYS 16 -2.494 5.661 -22.087 86 HG2 LYS 16 HG2 LYS 16 -1.057 3.021 -22.292 87 HG3 LYS 16 HG3 LYS 16 -1.485 3.878 -20.810 88 HD2 LYS 16 HD2 LYS 16 -3.485 2.939 -22.842 89 HD3 LYS 16 HD3 LYS 16 -2.993 1.977 -21.452 90 HE2 LYS 16 HE2 LYS 16 -4.174 4.748 -21.254 91 HE3 LYS 16 HE3 LYS 16 -5.124 3.268 -21.151 92 HZ1 LYS 16 HZ1 LYS 16 -2.968 4.128 -19.298 93 HZ2 LYS 16 HZ2 LYS 16 -3.716 2.619 -19.244 94 HZ3 LYS 16 HZ3 LYS 16 -4.620 4.015 -18.963 95 H GLN 17 H GLN 17 -1.167 5.240 -26.320 96 HA GLN 17 HA GLN 17 -0.842 8.096 -25.912 97 HB2 GLN 17 HB2 GLN 17 0.033 6.575 -28.354 98 HB3 GLN 17 HB3 GLN 17 0.664 8.085 -27.725 99 HG2 GLN 17 HG2 GLN 17 1.025 5.337 -26.594 100 HG3 GLN 17 HG3 GLN 17 2.258 6.365 -27.318 101 HE21 GLN 17 HE21 GLN 17 0.432 5.648 -24.502 102 HE22 GLN 17 HE22 GLN 17 1.258 6.711 -23.431 103 H THR 18 H THR 18 -1.384 9.605 -27.573 104 HA THR 18 HA THR 18 -3.534 8.846 -29.396 105 HB THR 18 HB THR 18 -4.786 10.960 -28.630 106 HG1 THR 18 HG1 THR 18 -3.122 11.770 -27.285 107 HG21 THR 18 HG21 THR 18 -5.651 8.708 -28.214 108 HG22 THR 18 HG22 THR 18 -5.962 9.754 -26.829 109 HG23 THR 18 HG23 THR 18 -4.649 8.580 -26.769 110 HA PRO 19 HA PRO 19 -3.659 8.815 -31.381 111 HB2 PRO 19 HB2 PRO 19 -2.020 8.282 -33.476 112 HB3 PRO 19 HB3 PRO 19 -3.300 9.501 -33.535 113 HG2 PRO 19 HG2 PRO 19 -0.368 9.859 -33.067 114 HG3 PRO 19 HG3 PRO 19 -1.457 10.809 -34.092 115 HD2 PRO 19 HD2 PRO 19 -0.700 11.636 -31.635 116 HD3 PRO 19 HD3 PRO 19 -2.301 12.001 -32.307 117 H CYS 20 H CYS 20 -3.199 6.612 -31.400 118 HA CYS 20 HA CYS 20 -1.371 5.774 -29.453 119 HB2 CYS 20 HB2 CYS 20 -3.502 4.647 -30.092 120 HB3 CYS 20 HB3 CYS 20 -2.703 4.078 -31.551 121 H GLY 21 H GLY 21 0.522 4.491 -29.627 122 HA2 GLY 21 HA2 GLY 21 2.018 5.085 -32.089 123 HA3 GLY 21 HA3 GLY 21 2.725 4.759 -30.516 124 H CYS 22 H CYS 22 0.243 2.594 -31.082 125 HA CYS 22 HA CYS 22 2.082 0.450 -31.304 126 HB2 CYS 22 HB2 CYS 22 -0.898 0.617 -31.226 127 HB3 CYS 22 HB3 CYS 22 -0.105 -0.905 -31.621 128 H GLY 23 H GLY 23 0.929 2.474 -33.677 129 HA2 GLY 23 HA2 GLY 23 0.306 0.711 -35.788 130 HA3 GLY 23 HA3 GLY 23 0.882 2.362 -35.972 131 H SER 24 H SER 24 3.332 1.735 -34.436 132 HA SER 24 HA SER 24 4.890 0.703 -36.649 133 HB2 SER 24 HB2 SER 24 5.815 1.697 -33.947 134 HB3 SER 24 HB3 SER 24 6.812 1.467 -35.384 135 HG SER 24 HG SER 24 5.321 3.038 -36.393 136 H GLY 25 H GLY 25 3.387 -0.561 -33.921 137 HA2 GLY 25 HA2 GLY 25 3.986 -3.154 -34.155 138 HA3 GLY 25 HA3 GLY 25 5.385 -2.544 -33.277 139 H CYS 26 H CYS 26 2.479 -3.955 -32.890 140 HA CYS 26 HA CYS 26 1.612 -2.511 -30.555 141 HB2 CYS 26 HB2 CYS 26 0.638 -5.105 -31.740 142 HB3 CYS 26 HB3 CYS 26 -0.152 -4.213 -30.443 143 H ASN 27 H ASN 27 1.701 -3.176 -28.485 144 HA ASN 27 HA ASN 27 3.141 -5.655 -27.862 145 HB2 ASN 27 HB2 ASN 27 4.683 -3.686 -27.659 146 HB3 ASN 27 HB3 ASN 27 3.596 -2.998 -26.464 147 HD21 ASN 27 HD21 ASN 27 4.371 -6.418 -26.740 148 HD22 ASN 27 HD22 ASN 27 5.220 -6.531 -25.239 149 H CYS 28 H CYS 28 0.469 -5.424 -27.979 150 HA CYS 28 HA CYS 28 -0.348 -5.399 -25.171 151 HB2 CYS 28 HB2 CYS 28 -2.616 -4.685 -26.142 152 HB3 CYS 28 HB3 CYS 28 -1.345 -3.473 -26.014 153 H LYS 29 H LYS 29 -2.704 -6.491 -25.161 154 HA LYS 29 HA LYS 29 -2.165 -9.198 -26.009 155 HB2 LYS 29 HB2 LYS 29 -4.638 -8.185 -24.605 156 HB3 LYS 29 HB3 LYS 29 -4.057 -9.840 -24.683 157 HG2 LYS 29 HG2 LYS 29 -2.862 -7.542 -23.159 158 HG3 LYS 29 HG3 LYS 29 -3.564 -9.022 -22.512 159 HD2 LYS 29 HD2 LYS 29 -1.751 -10.317 -23.530 160 HD3 LYS 29 HD3 LYS 29 -1.048 -8.824 -24.159 161 HE2 LYS 29 HE2 LYS 29 -0.918 -7.986 -21.841 162 HE3 LYS 29 HE3 LYS 29 -1.461 -9.567 -21.287 163 HZ1 LYS 29 HZ1 LYS 29 0.500 -10.564 -22.249 164 HZ2 LYS 29 HZ2 LYS 29 0.972 -9.322 -21.203 165 HZ3 LYS 29 HZ3 LYS 29 1.004 -9.079 -22.870 166 H GLU 30 H GLU 30 -4.124 -10.470 -26.847 167 HA GLU 30 HA GLU 30 -4.836 -9.235 -29.369 168 HB2 GLU 30 HB2 GLU 30 -5.890 -11.425 -29.905 169 HB3 GLU 30 HB3 GLU 30 -4.199 -11.546 -29.450 170 HG2 GLU 30 HG2 GLU 30 -6.252 -11.934 -27.338 171 HG3 GLU 30 HG3 GLU 30 -6.015 -13.215 -28.526 172 H ASP 31 H ASP 31 -6.138 -8.832 -26.476 173 HA ASP 31 HA ASP 31 -8.938 -8.907 -27.382 174 HB2 ASP 31 HB2 ASP 31 -7.998 -9.890 -25.080 175 HB3 ASP 31 HB3 ASP 31 -8.170 -8.207 -24.605 176 H CYS 32 H CYS 32 -6.654 -6.917 -27.875 177 HA CYS 32 HA CYS 32 -7.070 -4.525 -26.552 178 HB2 CYS 32 HB2 CYS 32 -5.142 -4.915 -27.985 179 HB3 CYS 32 HB3 CYS 32 -6.182 -4.975 -29.403 180 H ARG 33 H ARG 33 -8.401 -2.841 -26.775 181 HA ARG 33 HA ARG 33 -10.643 -3.144 -28.662 182 HB2 ARG 33 HB2 ARG 33 -10.604 -1.688 -26.016 183 HB3 ARG 33 HB3 ARG 33 -11.997 -1.900 -27.064 184 HG2 ARG 33 HG2 ARG 33 -10.514 -4.103 -25.658 185 HG3 ARG 33 HG3 ARG 33 -12.041 -3.398 -25.138 186 HD2 ARG 33 HD2 ARG 33 -13.027 -4.101 -27.310 187 HD3 ARG 33 HD3 ARG 33 -11.514 -4.936 -27.671 188 HE ARG 33 HE ARG 33 -12.846 -5.617 -25.176 189 HH11 ARG 33 HH11 ARG 33 -12.176 -6.494 -28.498 190 HH12 ARG 33 HH12 ARG 33 -12.568 -8.160 -28.278 191 HH21 ARG 33 HH21 ARG 33 -13.376 -7.799 -24.866 192 HH22 ARG 33 HH22 ARG 33 -13.262 -8.913 -26.179 193 H CYS 34 H CYS 34 -7.983 -1.788 -29.005 194 HA CYS 34 HA CYS 34 -8.795 1.006 -29.059 195 HB2 CYS 34 HB2 CYS 34 -6.516 0.087 -28.168 196 HB3 CYS 34 HB3 CYS 34 -6.102 0.075 -29.888 197 H GLN 35 H GLN 35 -9.002 2.152 -30.878 198 HA GLN 35 HA GLN 35 -9.638 0.637 -33.205 199 HB2 GLN 35 HB2 GLN 35 -9.433 3.631 -33.009 200 HB3 GLN 35 HB3 GLN 35 -10.342 2.698 -34.185 201 HG2 GLN 35 HG2 GLN 35 -10.937 3.109 -31.279 202 HG3 GLN 35 HG3 GLN 35 -11.915 3.551 -32.669 203 HE21 GLN 35 HE21 GLN 35 -11.069 1.050 -30.455 204 HE22 GLN 35 HE22 GLN 35 -12.203 -0.120 -31.024 205 H SER 36 H SER 36 -6.958 2.575 -32.189 206 HA SER 36 HA SER 36 -5.722 3.137 -34.591 207 HB2 SER 36 HB2 SER 36 -4.151 2.340 -32.175 208 HB3 SER 36 HB3 SER 36 -3.843 3.643 -33.326 209 HG SER 36 HG SER 36 -5.168 3.743 -31.020 210 H CYS 37 H CYS 37 -5.245 0.333 -32.488 211 HA CYS 37 HA CYS 37 -3.760 -0.985 -34.636 212 HB2 CYS 37 HB2 CYS 37 -3.293 -2.562 -32.545 213 HB3 CYS 37 HB3 CYS 37 -2.361 -1.097 -32.836 214 H LYS 38 H LYS 38 -6.639 -0.754 -34.610 215 HA LYS 38 HA LYS 38 -7.583 -3.419 -33.893 216 HB2 LYS 38 HB2 LYS 38 -8.688 -0.930 -33.752 217 HB3 LYS 38 HB3 LYS 38 -9.480 -1.626 -35.167 218 HG2 LYS 38 HG2 LYS 38 -10.193 -3.514 -33.826 219 HG3 LYS 38 HG3 LYS 38 -9.351 -2.845 -32.424 220 HD2 LYS 38 HD2 LYS 38 -11.547 -2.191 -32.115 221 HD3 LYS 38 HD3 LYS 38 -10.784 -0.767 -32.813 222 HE2 LYS 38 HE2 LYS 38 -12.921 -1.131 -33.889 223 HE3 LYS 38 HE3 LYS 38 -11.625 -1.444 -35.042 224 HZ1 LYS 38 HZ1 LYS 38 -11.890 -3.835 -34.575 225 HZ2 LYS 38 HZ2 LYS 38 -13.297 -3.150 -35.198 226 HZ3 LYS 38 HZ3 LYS 38 -13.187 -3.483 -33.547 227 H TYR 39 H TYR 39 -7.472 -1.254 -36.700 228 HA TYR 39 HA TYR 39 -8.335 -3.346 -38.464 229 HB2 TYR 39 HB2 TYR 39 -7.612 -1.507 -40.227 230 HB3 TYR 39 HB3 TYR 39 -9.100 -1.386 -39.313 231 HD1 TYR 39 HD1 TYR 39 -5.617 -0.116 -39.506 232 HD2 TYR 39 HD2 TYR 39 -9.511 0.448 -37.889 233 HE1 TYR 39 HE1 TYR 39 -4.969 2.131 -38.737 234 HE2 TYR 39 HE2 TYR 39 -8.874 2.689 -37.113 235 HH TYR 39 HH TYR 39 -6.054 4.261 -38.149 236 H GLY 40 H GLY 40 -5.398 -1.492 -38.131 237 HA2 GLY 40 HA2 GLY 40 -3.361 -3.021 -37.952 238 HA3 GLY 40 HA3 GLY 40 -3.917 -3.624 -39.512 239 H ALA 41 H ALA 41 -2.489 -2.892 -40.945 240 HA ALA 41 HA ALA 41 -1.403 -0.218 -40.762 241 HB1 ALA 41 HB1 ALA 41 -0.018 -2.077 -41.555 242 HB2 ALA 41 HB2 ALA 41 -0.183 -0.832 -42.794 243 HB3 ALA 41 HB3 ALA 41 -1.120 -2.321 -42.909 244 H GLY 42 H GLY 42 -4.136 -0.151 -40.890 245 HA2 GLY 42 HA2 GLY 42 -5.761 1.096 -41.969 246 HA3 GLY 42 HA3 GLY 42 -4.622 1.370 -43.284 247 H CYS 43 H CYS 43 -6.219 -1.491 -41.839 248 HA CYS 43 HA CYS 43 -6.718 -2.417 -44.573 249 HB2 CYS 43 HB2 CYS 43 -5.323 -3.762 -42.831 250 HB3 CYS 43 HB3 CYS 43 -6.879 -4.145 -42.119 251 H THR 44 H THR 44 -8.786 -3.331 -45.056 252 HA THR 44 HA THR 44 -10.914 -1.936 -43.717 253 HB THR 44 HB THR 44 -12.194 -3.424 -45.566 254 HG1 THR 44 HG1 THR 44 -10.755 -4.352 -46.838 255 HG21 THR 44 HG21 THR 44 -10.603 -0.909 -46.107 256 HG22 THR 44 HG22 THR 44 -12.216 -0.974 -45.397 257 HG23 THR 44 HG23 THR 44 -11.966 -1.489 -47.064 258 H ASP 45 H ASP 45 -12.541 -2.770 -42.536 259 HA ASP 45 HA ASP 45 -12.168 -5.226 -41.167 260 HB2 ASP 45 HB2 ASP 45 -13.306 -3.293 -40.157 261 HB3 ASP 45 HB3 ASP 45 -14.605 -3.450 -41.326 262 H VAL 46 H VAL 46 -13.918 -4.284 -44.005 263 HA VAL 46 HA VAL 46 -15.694 -6.467 -44.226 264 HB VAL 46 HB VAL 46 -14.425 -4.989 -46.545 265 HG11 VAL 46 HG11 VAL 46 -16.515 -5.477 -47.705 266 HG12 VAL 46 HG12 VAL 46 -17.136 -6.291 -46.272 267 HG13 VAL 46 HG13 VAL 46 -15.766 -6.974 -47.144 268 HG21 VAL 46 HG21 VAL 46 -16.845 -4.182 -44.933 269 HG22 VAL 46 HG22 VAL 46 -16.223 -3.356 -46.362 270 HG23 VAL 46 HG23 VAL 46 -15.269 -3.395 -44.879 271 H CYS 47 H CYS 47 -12.333 -6.210 -44.601 272 HA CYS 47 HA CYS 47 -12.007 -8.580 -46.208 273 HB2 CYS 47 HB2 CYS 47 -10.431 -6.788 -46.520 274 HB3 CYS 47 HB3 CYS 47 -10.077 -6.734 -44.798 275 H LYS 48 H LYS 48 -12.063 -7.653 -42.854 276 HA LYS 48 HA LYS 48 -10.878 -10.104 -41.896 277 HB2 LYS 48 HB2 LYS 48 -12.257 -7.870 -40.410 278 HB3 LYS 48 HB3 LYS 48 -11.321 -9.170 -39.680 279 HG2 LYS 48 HG2 LYS 48 -9.315 -8.390 -40.702 280 HG3 LYS 48 HG3 LYS 48 -10.209 -7.202 -41.650 281 HD2 LYS 48 HD2 LYS 48 -10.850 -6.044 -39.612 282 HD3 LYS 48 HD3 LYS 48 -9.987 -7.245 -38.648 283 HE2 LYS 48 HE2 LYS 48 -8.719 -5.484 -40.741 284 HE3 LYS 48 HE3 LYS 48 -8.694 -5.156 -39.018 285 HZ1 LYS 48 HZ1 LYS 48 -7.456 -7.467 -40.416 286 HZ2 LYS 48 HZ2 LYS 48 -7.545 -7.339 -38.737 287 HZ3 LYS 48 HZ3 LYS 48 -6.646 -6.213 -39.619 288 H GLN 49 H GLN 49 -13.664 -9.618 -43.308 289 HA GLN 49 HA GLN 49 -15.585 -10.693 -41.511 290 HB2 GLN 49 HB2 GLN 49 -15.580 -10.578 -44.525 291 HB3 GLN 49 HB3 GLN 49 -16.963 -11.019 -43.542 292 HG2 GLN 49 HG2 GLN 49 -16.925 -8.786 -42.531 293 HG3 GLN 49 HG3 GLN 49 -15.564 -8.364 -43.571 294 HE21 GLN 49 HE21 GLN 49 -18.173 -7.137 -43.437 295 HE22 GLN 49 HE22 GLN 49 -18.868 -7.281 -45.011 296 H THR 50 H THR 50 -16.744 -12.756 -41.978 297 HA THR 50 HA THR 50 -15.164 -14.830 -43.241 298 HB THR 50 HB THR 50 -16.019 -15.066 -40.342 299 HG1 THR 50 HG1 THR 50 -13.778 -14.068 -41.506 300 HG21 THR 50 HG21 THR 50 -14.791 -17.187 -40.394 301 HG22 THR 50 HG22 THR 50 -14.433 -16.945 -42.103 302 HG23 THR 50 HG23 THR 50 -16.098 -17.194 -41.579 303 HA PRO 51 HA PRO 51 -15.542 -16.017 -44.851 304 HB2 PRO 51 HB2 PRO 51 -16.857 -15.769 -47.214 305 HB3 PRO 51 HB3 PRO 51 -16.849 -17.269 -46.279 306 HG2 PRO 51 HG2 PRO 51 -18.933 -15.120 -46.391 307 HG3 PRO 51 HG3 PRO 51 -19.141 -16.880 -46.469 308 HD2 PRO 51 HD2 PRO 51 -19.565 -15.508 -44.199 309 HD3 PRO 51 HD3 PRO 51 -18.863 -17.138 -44.186 310 H CYS 52 H CYS 52 -14.455 -14.646 -46.427 311 HA CYS 52 HA CYS 52 -14.644 -11.908 -45.712 312 HB2 CYS 52 HB2 CYS 52 -12.492 -12.983 -46.343 313 HB3 CYS 52 HB3 CYS 52 -13.097 -13.147 -47.985 314 H GLY 53 H GLY 53 -15.542 -10.209 -46.738 315 HA2 GLY 53 HA2 GLY 53 -16.895 -10.759 -49.300 316 HA3 GLY 53 HA3 GLY 53 -17.680 -9.872 -48.006 317 H CYS 54 H CYS 54 -14.311 -9.376 -48.472 318 HA CYS 54 HA CYS 54 -14.628 -6.618 -48.867 319 HB2 CYS 54 HB2 CYS 54 -12.571 -7.808 -47.986 320 HB3 CYS 54 HB3 CYS 54 -12.189 -8.198 -49.664 321 H ALA 55 H ALA 55 -13.964 -9.239 -51.141 322 HA ALA 55 HA ALA 55 -13.671 -7.639 -53.439 323 HB1 ALA 55 HB1 ALA 55 -14.053 -9.696 -54.703 324 HB2 ALA 55 HB2 ALA 55 -14.642 -10.491 -53.243 325 HB3 ALA 55 HB3 ALA 55 -12.958 -9.977 -53.351 326 H THR 56 H THR 56 -16.450 -8.685 -51.678 327 HA THR 56 HA THR 56 -18.350 -8.323 -53.761 328 HB THR 56 HB THR 56 -18.827 -8.310 -50.775 329 HG1 THR 56 HG1 THR 56 -18.303 -10.366 -52.622 330 HG21 THR 56 HG21 THR 56 -20.626 -9.002 -53.107 331 HG22 THR 56 HG22 THR 56 -20.731 -7.543 -52.122 332 HG23 THR 56 HG23 THR 56 -21.061 -9.119 -51.401 333 H SER 57 H SER 57 -17.423 -6.359 -50.917 334 HA SER 57 HA SER 57 -19.141 -4.200 -51.755 335 HB2 SER 57 HB2 SER 57 -18.778 -4.671 -49.357 336 HB3 SER 57 HB3 SER 57 -17.071 -4.269 -49.543 337 HG SER 57 HG SER 57 -19.032 -2.400 -50.322 338 H GLY 58 H GLY 58 -15.676 -4.868 -51.760 339 HA2 GLY 58 HA2 GLY 58 -14.801 -3.677 -53.929 340 HA3 GLY 58 HA3 GLY 58 -15.120 -2.259 -52.934 341 H CYS 59 H CYS 59 -12.873 -4.573 -53.757 342 HA CYS 59 HA CYS 59 -11.445 -4.941 -51.377 343 HB2 CYS 59 HB2 CYS 59 -11.141 -6.315 -53.398 344 HB3 CYS 59 HB3 CYS 59 -10.428 -4.937 -54.223 345 H ASN 60 H ASN 60 -10.496 -3.452 -50.174 346 HA ASN 60 HA ASN 60 -9.650 -0.929 -51.395 347 HB2 ASN 60 HB2 ASN 60 -11.090 -0.688 -49.465 348 HB3 ASN 60 HB3 ASN 60 -10.022 -1.697 -48.495 349 HD21 ASN 60 HD21 ASN 60 -10.475 1.422 -49.954 350 HD22 ASN 60 HD22 ASN 60 -9.205 2.229 -49.103 351 H CYS 61 H CYS 61 -8.367 -3.586 -49.447 352 HA CYS 61 HA CYS 61 -5.774 -2.423 -49.206 353 HB2 CYS 61 HB2 CYS 61 -5.187 -4.785 -48.425 354 HB3 CYS 61 HB3 CYS 61 -6.378 -3.898 -47.477 355 H THR 62 H THR 62 -3.793 -3.634 -50.008 356 HA THR 62 HA THR 62 -4.112 -4.027 -52.835 357 HB THR 62 HB THR 62 -1.468 -4.370 -51.587 358 HG1 THR 62 HG1 THR 62 -2.579 -1.747 -51.750 359 HG21 THR 62 HG21 THR 62 -0.830 -2.853 -53.404 360 HG22 THR 62 HG22 THR 62 -2.534 -2.656 -53.814 361 HG23 THR 62 HG23 THR 62 -1.759 -4.231 -53.994 362 H ASP 63 H ASP 63 -2.663 -5.784 -53.792 363 HA ASP 63 HA ASP 63 -3.681 -8.281 -52.869 364 HB2 ASP 63 HB2 ASP 63 -1.776 -7.605 -55.093 365 HB3 ASP 63 HB3 ASP 63 -2.423 -9.220 -54.809 366 H ASP 64 H ASP 64 -1.245 -6.605 -51.586 367 HA ASP 64 HA ASP 64 0.661 -8.776 -51.329 368 HB2 ASP 64 HB2 ASP 64 1.971 -7.259 -49.947 369 HB3 ASP 64 HB3 ASP 64 1.486 -6.448 -51.429 370 H CYS 65 H CYS 65 -2.211 -7.898 -49.951 371 HA CYS 65 HA CYS 65 -1.805 -8.629 -47.253 372 HB2 CYS 65 HB2 CYS 65 -3.799 -7.367 -48.399 373 HB3 CYS 65 HB3 CYS 65 -4.405 -8.980 -48.744 374 H LYS 66 H LYS 66 -2.034 -10.655 -46.266 375 HA LYS 66 HA LYS 66 -1.366 -12.926 -47.848 376 HB2 LYS 66 HB2 LYS 66 -2.125 -12.594 -44.965 377 HB3 LYS 66 HB3 LYS 66 -1.855 -14.182 -45.661 378 HG2 LYS 66 HG2 LYS 66 0.420 -13.589 -46.219 379 HG3 LYS 66 HG3 LYS 66 0.160 -11.949 -45.623 380 HD2 LYS 66 HD2 LYS 66 -0.115 -14.433 -43.933 381 HD3 LYS 66 HD3 LYS 66 1.344 -13.442 -44.012 382 HE2 LYS 66 HE2 LYS 66 -1.387 -12.504 -43.116 383 HE3 LYS 66 HE3 LYS 66 -0.026 -12.869 -42.061 384 HZ1 LYS 66 HZ1 LYS 66 -0.033 -10.736 -44.140 385 HZ2 LYS 66 HZ2 LYS 66 1.212 -11.063 -43.043 386 HZ3 LYS 66 HZ3 LYS 66 -0.268 -10.487 -42.486 387 H CYS 67 H CYS 67 -4.281 -11.459 -47.418 388 HA CYS 67 HA CYS 67 -5.890 -13.819 -47.280 389 HB2 CYS 67 HB2 CYS 67 -6.511 -11.547 -46.344 390 HB3 CYS 67 HB3 CYS 67 -6.794 -11.043 -48.008 391 H GLN 68 H GLN 68 -6.319 -15.081 -48.953 392 HA GLN 68 HA GLN 68 -5.890 -14.057 -51.660 393 HB2 GLN 68 HB2 GLN 68 -6.126 -16.856 -50.558 394 HB3 GLN 68 HB3 GLN 68 -6.089 -16.512 -52.280 395 HG2 GLN 68 HG2 GLN 68 -3.916 -15.722 -50.355 396 HG3 GLN 68 HG3 GLN 68 -3.906 -17.201 -51.314 397 HE21 GLN 68 HE21 GLN 68 -3.599 -17.068 -53.531 398 HE22 GLN 68 HE22 GLN 68 -2.990 -15.648 -54.293 399 H SER 69 H SER 69 -8.360 -14.023 -49.648 400 HA SER 69 HA SER 69 -10.403 -15.301 -51.175 401 HB2 SER 69 HB2 SER 69 -10.689 -13.265 -48.962 402 HB3 SER 69 HB3 SER 69 -11.924 -14.388 -49.532 403 HG SER 69 HG SER 69 -10.322 -14.825 -47.589 404 H CYS 70 H CYS 70 -9.370 -11.926 -50.715 405 HA CYS 70 HA CYS 70 -11.278 -11.112 -52.797 406 HB2 CYS 70 HB2 CYS 70 -10.793 -8.814 -51.916 407 HB3 CYS 70 HB3 CYS 70 -11.596 -9.913 -50.793 408 H SER 71 H SER 71 -7.941 -11.643 -52.306 409 HA SER 71 HA SER 71 -6.921 -9.588 -53.978 410 HB2 SER 71 HB2 SER 71 -4.817 -10.921 -53.910 411 HB3 SER 71 HB3 SER 71 -5.491 -10.595 -52.313 412 HG SER 71 HG SER 71 -4.988 -12.724 -52.320 413 H THR 72 H THR 72 -5.681 -10.036 -55.978 414 HA THR 72 HA THR 72 -7.361 -11.215 -57.919 415 HB THR 72 HB THR 72 -5.318 -10.848 -59.439 416 HG1 THR 72 HG1 THR 72 -4.422 -9.409 -57.139 417 HG21 THR 72 HG21 THR 72 -6.475 -8.510 -57.912 418 HG22 THR 72 HG22 THR 72 -7.198 -9.284 -59.321 419 HG23 THR 72 HG23 THR 72 -5.672 -8.418 -59.478 420 H ALA 73 H ALA 73 -7.461 -13.186 -58.689 421 HA ALA 73 HA ALA 73 -5.875 -15.285 -57.581 422 HB1 ALA 73 HB1 ALA 73 -7.265 -16.739 -59.018 423 HB2 ALA 73 HB2 ALA 73 -7.973 -15.303 -59.752 424 HB3 ALA 73 HB3 ALA 73 -8.230 -15.637 -58.041 425 H CYS 74 H CYS 74 -4.837 -16.917 -59.004 426 HA CYS 74 HA CYS 74 -3.088 -15.578 -60.893 427 HB2 CYS 74 HB2 CYS 74 -2.708 -17.592 -59.020 428 HB3 CYS 74 HB3 CYS 74 -2.685 -18.449 -60.555 429 H LYS 75 H LYS 75 -2.720 -16.395 -63.033 430 HA LYS 75 HA LYS 75 -5.170 -17.517 -64.201 431 HB2 LYS 75 HB2 LYS 75 -2.916 -15.915 -65.387 432 HB3 LYS 75 HB3 LYS 75 -4.167 -16.671 -66.362 433 HG2 LYS 75 HG2 LYS 75 -4.673 -14.639 -64.199 434 HG3 LYS 75 HG3 LYS 75 -4.565 -14.280 -65.924 435 HD2 LYS 75 HD2 LYS 75 -6.450 -15.820 -66.332 436 HD3 LYS 75 HD3 LYS 75 -6.578 -16.092 -64.594 437 HE2 LYS 75 HE2 LYS 75 -7.027 -13.713 -64.252 438 HE3 LYS 75 HE3 LYS 75 -6.892 -13.436 -65.987 439 HZ1 LYS 75 HZ1 LYS 75 -8.927 -15.111 -64.631 440 HZ2 LYS 75 HZ2 LYS 75 -8.783 -14.937 -66.305 441 HZ3 LYS 75 HZ3 LYS 75 -9.187 -13.606 -65.352 442 H CYS 76 H CYS 76 -2.924 -19.055 -62.936 443 HA CYS 76 HA CYS 76 -1.902 -20.529 -65.219 444 HB2 CYS 76 HB2 CYS 76 -1.309 -20.741 -62.274 445 HB3 CYS 76 HB3 CYS 76 -0.592 -21.771 -63.509 446 H ALA 77 H ALA 77 -1.916 -22.870 -65.160 447 HA ALA 77 HA ALA 77 -4.523 -23.876 -64.252 448 HB1 ALA 77 HB1 ALA 77 -2.722 -24.970 -66.415 449 HB2 ALA 77 HB2 ALA 77 -4.111 -23.921 -66.693 450 HB3 ALA 77 HB3 ALA 77 -4.345 -25.530 -66.015 451 H ALA 78 H ALA 78 -4.396 -26.364 -63.886 452 HA ALA 78 HA ALA 78 -2.900 -26.791 -61.575 453 HB1 ALA 78 HB1 ALA 78 -4.961 -27.997 -62.134 454 HB2 ALA 78 HB2 ALA 78 -3.650 -29.085 -61.679 455 HB3 ALA 78 HB3 ALA 78 -4.086 -28.892 -63.377 456 H GLY 79 H GLY 79 -1.904 -27.110 -64.840 457 HA2 GLY 79 HA2 GLY 79 0.702 -28.036 -63.893 458 HA3 GLY 79 HA3 GLY 79 -0.086 -28.971 -65.155 459 H SER 80 H SER 80 -0.186 -25.459 -64.809 460 HA SER 80 HA SER 80 1.763 -25.084 -66.921 461 HB2 SER 80 HB2 SER 80 -1.107 -24.215 -67.366 462 HB3 SER 80 HB3 SER 80 0.247 -23.956 -68.461 463 HG SER 80 HG SER 80 0.263 -26.506 -68.046 464 H CYS 81 H CYS 81 2.971 -23.512 -66.044 465 HA CYS 81 HA CYS 81 1.713 -21.389 -64.481 466 HB2 CYS 81 HB2 CYS 81 4.483 -22.476 -64.735 467 HB3 CYS 81 HB3 CYS 81 4.276 -20.814 -64.209 468 H LYS 82 H LYS 82 1.569 -19.329 -65.188 469 HA LYS 82 HA LYS 82 2.511 -18.690 -67.870 470 HB2 LYS 82 HB2 LYS 82 0.569 -17.523 -65.966 471 HB3 LYS 82 HB3 LYS 82 1.438 -16.364 -66.955 472 HG2 LYS 82 HG2 LYS 82 -0.658 -16.900 -67.992 473 HG3 LYS 82 HG3 LYS 82 0.656 -17.543 -68.975 474 HD2 LYS 82 HD2 LYS 82 0.242 -19.756 -68.214 475 HD3 LYS 82 HD3 LYS 82 -0.861 -19.184 -66.960 476 HE2 LYS 82 HE2 LYS 82 -1.311 -18.931 -69.933 477 HE3 LYS 82 HE3 LYS 82 -2.053 -20.145 -68.890 478 HZ1 LYS 82 HZ1 LYS 82 -2.414 -17.203 -68.639 479 HZ2 LYS 82 HZ2 LYS 82 -3.130 -18.375 -67.650 480 HZ3 LYS 82 HZ3 LYS 82 -3.542 -18.283 -69.285 481 H CYS 83 H CYS 83 2.739 -17.245 -64.655 482 HA CYS 83 HA CYS 83 4.886 -15.504 -65.373 483 HB2 CYS 83 HB2 CYS 83 4.906 -15.149 -62.857 484 HB3 CYS 83 HB3 CYS 83 3.403 -14.761 -63.693 485 H GLY 84 H GLY 84 4.570 -18.682 -64.039 486 HA2 GLY 84 HA2 GLY 84 6.182 -20.312 -63.720 487 HA3 GLY 84 HA3 GLY 84 7.384 -19.176 -64.314 488 H LYS 85 H LYS 85 5.169 -18.968 -61.532 489 HA LYS 85 HA LYS 85 7.523 -18.494 -59.839 490 HB2 LYS 85 HB2 LYS 85 4.635 -17.684 -59.528 491 HB3 LYS 85 HB3 LYS 85 5.805 -17.546 -58.225 492 HG2 LYS 85 HG2 LYS 85 6.073 -16.195 -60.905 493 HG3 LYS 85 HG3 LYS 85 5.414 -15.434 -59.457 494 HD2 LYS 85 HD2 LYS 85 7.586 -15.933 -58.308 495 HD3 LYS 85 HD3 LYS 85 8.223 -16.469 -59.865 496 HE2 LYS 85 HE2 LYS 85 8.857 -14.163 -59.402 497 HE3 LYS 85 HE3 LYS 85 7.787 -14.259 -60.801 498 HZ1 LYS 85 HZ1 LYS 85 5.941 -13.622 -59.378 499 HZ2 LYS 85 HZ2 LYS 85 7.155 -12.455 -59.342 500 HZ3 LYS 85 HZ3 LYS 85 6.972 -13.514 -58.044 501 H GLY 86 H GLY 86 5.915 -21.048 -60.723 502 HA2 GLY 86 HA2 GLY 86 5.777 -23.144 -59.760 503 HA3 GLY 86 HA3 GLY 86 6.354 -22.452 -58.248 504 H CYS 87 H CYS 87 3.615 -21.236 -60.014 505 HA CYS 87 HA CYS 87 1.846 -22.195 -57.881 506 HB2 CYS 87 HB2 CYS 87 0.571 -20.045 -58.407 507 HB3 CYS 87 HB3 CYS 87 2.088 -19.888 -57.523 508 H THR 88 H THR 88 1.063 -23.949 -59.051 509 HA THR 88 HA THR 88 0.007 -23.477 -61.693 510 HB THR 88 HB THR 88 -0.558 -25.959 -61.546 511 HG1 THR 88 HG1 THR 88 -0.491 -26.283 -59.343 512 HG21 THR 88 HG21 THR 88 1.777 -26.620 -61.950 513 HG22 THR 88 HG22 THR 88 2.333 -25.106 -61.235 514 HG23 THR 88 HG23 THR 88 1.416 -25.084 -62.738 515 H GLY 89 H GLY 89 -1.406 -21.898 -60.351 516 HA2 GLY 89 HA2 GLY 89 -3.946 -22.025 -60.731 517 HA3 GLY 89 HA3 GLY 89 -3.869 -23.262 -59.483 518 HA PRO 90 HA PRO 90 -4.207 -18.738 -57.821 519 HB2 PRO 90 HB2 PRO 90 -6.773 -18.965 -56.863 520 HB3 PRO 90 HB3 PRO 90 -6.349 -18.268 -58.430 521 HG2 PRO 90 HG2 PRO 90 -7.285 -21.028 -57.781 522 HG3 PRO 90 HG3 PRO 90 -7.778 -19.969 -59.118 523 HD2 PRO 90 HD2 PRO 90 -6.036 -21.964 -59.509 524 HD3 PRO 90 HD3 PRO 90 -5.842 -20.404 -60.335 525 H ASP 91 H ASP 91 -5.766 -21.672 -56.498 526 HA ASP 91 HA ASP 91 -5.227 -20.972 -53.805 527 HB2 ASP 91 HB2 ASP 91 -6.025 -23.562 -55.119 528 HB3 ASP 91 HB3 ASP 91 -5.671 -23.477 -53.398 529 H SER 92 H SER 92 -3.481 -22.668 -56.268 530 HA SER 92 HA SER 92 -1.450 -23.648 -54.487 531 HB2 SER 92 HB2 SER 92 -1.399 -23.455 -57.506 532 HB3 SER 92 HB3 SER 92 -0.367 -24.467 -56.493 533 HG SER 92 HG SER 92 -2.055 -25.704 -57.317 534 H CYS 93 H CYS 93 -2.178 -20.694 -55.895 535 HA CYS 93 HA CYS 93 0.517 -19.738 -56.163 536 HB2 CYS 93 HB2 CYS 93 -1.263 -18.862 -57.630 537 HB3 CYS 93 HB3 CYS 93 -2.127 -18.251 -56.227 538 H LYS 94 H LYS 94 1.545 -19.780 -54.275 539 HA LYS 94 HA LYS 94 0.266 -18.573 -51.953 540 HB2 LYS 94 HB2 LYS 94 2.909 -20.065 -52.174 541 HB3 LYS 94 HB3 LYS 94 2.191 -19.485 -50.678 542 HG2 LYS 94 HG2 LYS 94 0.261 -20.993 -51.052 543 HG3 LYS 94 HG3 LYS 94 1.044 -21.606 -52.505 544 HD2 LYS 94 HD2 LYS 94 1.405 -23.156 -50.657 545 HD3 LYS 94 HD3 LYS 94 2.938 -22.408 -51.105 546 HE2 LYS 94 HE2 LYS 94 2.662 -22.527 -48.670 547 HE3 LYS 94 HE3 LYS 94 2.748 -20.860 -49.229 548 HZ1 LYS 94 HZ1 LYS 94 0.234 -22.311 -48.590 549 HZ2 LYS 94 HZ2 LYS 94 0.356 -20.687 -49.035 550 HZ3 LYS 94 HZ3 LYS 94 1.001 -21.208 -47.567 551 H CYS 95 H CYS 95 1.358 -17.269 -54.462 552 HA CYS 95 HA CYS 95 3.425 -15.512 -53.386 553 HB2 CYS 95 HB2 CYS 95 2.246 -15.575 -56.175 554 HB3 CYS 95 HB3 CYS 95 3.716 -14.757 -55.667 555 H ASP 96 H ASP 96 3.097 -13.333 -53.047 556 HA ASP 96 HA ASP 96 0.367 -12.447 -52.748 557 HB2 ASP 96 HB2 ASP 96 1.359 -10.442 -51.721 558 HB3 ASP 96 HB3 ASP 96 2.034 -11.904 -51.028 559 H ARG 97 H ARG 97 1.246 -9.565 -53.308 560 HA ARG 97 HA ARG 97 0.246 -9.449 -55.978 561 HB2 ARG 97 HB2 ARG 97 0.281 -7.112 -55.763 562 HB3 ARG 97 HB3 ARG 97 -0.037 -7.694 -54.136 563 HG2 ARG 97 HG2 ARG 97 2.294 -7.339 -53.541 564 HG3 ARG 97 HG3 ARG 97 2.629 -6.771 -55.180 565 HD2 ARG 97 HD2 ARG 97 0.815 -5.047 -54.785 566 HD3 ARG 97 HD3 ARG 97 0.885 -5.501 -53.089 567 HE ARG 97 HE ARG 97 3.319 -4.617 -54.472 568 HH11 ARG 97 HH11 ARG 97 0.960 -4.152 -51.890 569 HH12 ARG 97 HH12 ARG 97 1.842 -2.858 -51.171 570 HH21 ARG 97 HH21 ARG 97 4.461 -2.895 -53.495 571 HH22 ARG 97 HH22 ARG 97 3.833 -2.140 -52.071 572 H SER 98 H SER 98 3.251 -10.085 -54.738 573 HA SER 98 HA SER 98 4.891 -8.819 -56.715 574 HB2 SER 98 HB2 SER 98 5.531 -11.093 -54.820 575 HB3 SER 98 HB3 SER 98 6.706 -10.119 -55.707 576 HG SER 98 HG SER 98 4.947 -9.304 -53.630 577 H CYS 99 H CYS 99 2.860 -10.170 -57.942 578 HA CYS 99 HA CYS 99 4.283 -12.258 -59.417 579 HB2 CYS 99 HB2 CYS 99 2.375 -12.931 -57.631 580 HB3 CYS 99 HB3 CYS 99 1.367 -12.564 -59.021 581 H SER 100 H SER 100 4.327 -11.657 -61.488 582 HA SER 100 HA SER 100 2.933 -9.383 -62.416 583 HB2 SER 100 HB2 SER 100 5.150 -10.034 -63.256 584 HB3 SER 100 HB3 SER 100 4.439 -11.462 -64.006 585 HG SER 100 HG SER 100 2.990 -9.763 -65.035 586 H CYS 101 H CYS 101 1.950 -12.625 -62.181 587 HA CYS 101 HA CYS 101 0.265 -12.582 -64.501 588 HB2 CYS 101 HB2 CYS 101 1.357 -14.628 -63.258 589 HB3 CYS 101 HB3 CYS 101 -0.109 -14.555 -62.288 590 H LYS 102 H LYS 102 0.035 -11.244 -61.409 591 HA LYS 102 HA LYS 102 -2.741 -11.579 -60.921 592 HB2 LYS 102 HB2 LYS 102 -0.915 -9.349 -59.987 593 HB3 LYS 102 HB3 LYS 102 -2.515 -9.690 -59.350 594 HG2 LYS 102 HG2 LYS 102 -0.039 -11.365 -59.105 595 HG3 LYS 102 HG3 LYS 102 -0.938 -10.570 -57.816 596 HD2 LYS 102 HD2 LYS 102 -2.837 -12.043 -58.202 597 HD3 LYS 102 HD3 LYS 102 -1.989 -12.806 -59.547 598 HE2 LYS 102 HE2 LYS 102 -1.692 -14.289 -57.746 599 HE3 LYS 102 HE3 LYS 102 -0.174 -13.398 -57.850 600 HZ1 LYS 102 HZ1 LYS 102 -2.374 -12.773 -55.964 601 HZ2 LYS 102 HZ2 LYS 102 -0.854 -12.022 -56.031 602 HZ3 LYS 102 HZ3 LYS 102 -0.972 -13.641 -55.574 Start of MODEL 3 1 HA2 GLY 1 HA2 GLY 1 3.179 10.584 -4.276 2 HA3 GLY 1 HA3 GLY 1 3.085 10.621 -6.030 3 H SER 2 H SER 2 3.253 7.959 -6.657 4 HA SER 2 HA SER 2 1.545 6.288 -5.149 5 HB2 SER 2 HB2 SER 2 -0.164 7.907 -5.950 6 HB3 SER 2 HB3 SER 2 0.299 7.549 -7.612 7 HG SER 2 HG SER 2 -1.577 6.393 -6.570 8 H MET 3 H MET 3 1.693 4.218 -5.886 9 HA MET 3 HA MET 3 3.400 3.788 -8.209 10 HB2 MET 3 HB2 MET 3 2.451 1.914 -6.036 11 HB3 MET 3 HB3 MET 3 3.447 1.417 -7.393 12 HG2 MET 3 HG2 MET 3 4.225 3.467 -5.332 13 HG3 MET 3 HG3 MET 3 4.737 1.782 -5.340 14 HE1 MET 3 HE1 MET 3 6.334 0.718 -7.142 15 HE2 MET 3 HE2 MET 3 6.974 1.588 -8.535 16 HE3 MET 3 HE3 MET 3 5.253 1.221 -8.443 17 H SER 4 H SER 4 2.816 2.414 -9.897 18 HA SER 4 HA SER 4 -0.057 1.851 -10.079 19 HB2 SER 4 HB2 SER 4 0.687 3.624 -11.656 20 HB3 SER 4 HB3 SER 4 1.849 2.494 -12.348 21 HG SER 4 HG SER 4 0.305 1.552 -13.417 22 H SER 5 H SER 5 0.090 -0.217 -9.282 23 HA SER 5 HA SER 5 2.021 -2.074 -10.304 24 HB2 SER 5 HB2 SER 5 1.111 -2.157 -7.965 25 HB3 SER 5 HB3 SER 5 -0.443 -2.645 -8.639 26 HG SER 5 HG SER 5 0.872 -4.411 -7.940 27 H VAL 6 H VAL 6 1.827 -2.710 -12.338 28 HA VAL 6 HA VAL 6 -0.815 -3.581 -13.226 29 HB VAL 6 HB VAL 6 -0.420 -1.572 -14.456 30 HG11 VAL 6 HG11 VAL 6 1.966 -1.317 -14.094 31 HG12 VAL 6 HG12 VAL 6 1.599 -1.199 -15.815 32 HG13 VAL 6 HG13 VAL 6 2.296 -2.680 -15.162 33 HG21 VAL 6 HG21 VAL 6 -1.358 -3.361 -15.787 34 HG22 VAL 6 HG22 VAL 6 0.257 -3.943 -16.191 35 HG23 VAL 6 HG23 VAL 6 -0.287 -2.373 -16.781 36 H PHE 7 H PHE 7 -0.896 -5.634 -13.618 37 HA PHE 7 HA PHE 7 1.515 -6.979 -14.615 38 HB2 PHE 7 HB2 PHE 7 0.881 -7.655 -12.280 39 HB3 PHE 7 HB3 PHE 7 -0.656 -8.231 -12.911 40 HD1 PHE 7 HD1 PHE 7 3.015 -8.693 -13.258 41 HD2 PHE 7 HD2 PHE 7 -0.851 -10.423 -13.682 42 HE1 PHE 7 HE1 PHE 7 4.044 -10.876 -13.728 43 HE2 PHE 7 HE2 PHE 7 0.174 -12.607 -14.151 44 HZ PHE 7 HZ PHE 7 2.624 -12.837 -14.174 45 H GLY 8 H GLY 8 0.623 -6.233 -16.662 46 HA2 GLY 8 HA2 GLY 8 -0.146 -7.045 -18.693 47 HA3 GLY 8 HA3 GLY 8 -0.972 -8.336 -17.840 48 H ALA 9 H ALA 9 -2.401 -6.562 -16.051 49 HA ALA 9 HA ALA 9 -4.529 -5.903 -17.910 50 HB1 ALA 9 HB1 ALA 9 -5.076 -7.236 -15.930 51 HB2 ALA 9 HB2 ALA 9 -5.977 -5.722 -15.969 52 HB3 ALA 9 HB3 ALA 9 -4.594 -5.895 -14.892 53 H GLY 10 H GLY 10 -2.986 -4.167 -18.637 54 HA2 GLY 10 HA2 GLY 10 -3.829 -1.663 -17.337 55 HA3 GLY 10 HA3 GLY 10 -2.192 -1.869 -17.955 56 H CYS 11 H CYS 11 -5.531 -2.287 -19.024 57 HA CYS 11 HA CYS 11 -4.767 -1.841 -21.761 58 HB2 CYS 11 HB2 CYS 11 -7.031 -2.980 -20.368 59 HB3 CYS 11 HB3 CYS 11 -7.511 -1.943 -21.709 60 H THR 12 H THR 12 -6.232 -0.510 -23.104 61 HA THR 12 HA THR 12 -6.568 2.117 -21.870 62 HB THR 12 HB THR 12 -4.940 2.114 -23.658 63 HG1 THR 12 HG1 THR 12 -6.228 3.969 -23.624 64 HG21 THR 12 HG21 THR 12 -5.530 1.517 -25.967 65 HG22 THR 12 HG22 THR 12 -7.120 0.989 -25.414 66 HG23 THR 12 HG23 THR 12 -5.673 0.136 -24.878 67 H ASP 13 H ASP 13 -8.408 3.343 -22.468 68 HA ASP 13 HA ASP 13 -10.799 1.838 -22.512 69 HB2 ASP 13 HB2 ASP 13 -11.947 3.999 -22.554 70 HB3 ASP 13 HB3 ASP 13 -10.641 4.005 -21.375 71 H THR 14 H THR 14 -8.890 3.369 -25.001 72 HA THR 14 HA THR 14 -10.863 3.436 -27.027 73 HB THR 14 HB THR 14 -7.881 3.150 -27.443 74 HG1 THR 14 HG1 THR 14 -9.255 5.622 -27.253 75 HG21 THR 14 HG21 THR 14 -8.370 4.536 -29.453 76 HG22 THR 14 HG22 THR 14 -10.092 4.420 -29.068 77 HG23 THR 14 HG23 THR 14 -9.178 2.969 -29.481 78 H CYS 15 H CYS 15 -9.188 0.904 -25.598 79 HA CYS 15 HA CYS 15 -9.321 -0.914 -27.847 80 HB2 CYS 15 HB2 CYS 15 -7.425 -0.973 -26.343 81 HB3 CYS 15 HB3 CYS 15 -8.490 -1.245 -24.969 82 H LYS 16 H LYS 16 -11.484 0.248 -25.664 83 HA LYS 16 HA LYS 16 -12.852 -2.287 -25.129 84 HB2 LYS 16 HB2 LYS 16 -13.572 0.468 -24.190 85 HB3 LYS 16 HB3 LYS 16 -14.116 -1.067 -23.527 86 HG2 LYS 16 HG2 LYS 16 -11.210 -0.493 -23.562 87 HG3 LYS 16 HG3 LYS 16 -12.226 0.331 -22.379 88 HD2 LYS 16 HD2 LYS 16 -11.445 -1.598 -21.332 89 HD3 LYS 16 HD3 LYS 16 -13.121 -1.918 -21.761 90 HE2 LYS 16 HE2 LYS 16 -11.805 -3.873 -22.192 91 HE3 LYS 16 HE3 LYS 16 -12.298 -3.206 -23.733 92 HZ1 LYS 16 HZ1 LYS 16 -10.064 -2.134 -23.839 93 HZ2 LYS 16 HZ2 LYS 16 -10.025 -3.821 -23.865 94 HZ3 LYS 16 HZ3 LYS 16 -9.643 -2.993 -22.441 95 H GLN 17 H GLN 17 -12.760 -0.547 -27.663 96 HA GLN 17 HA GLN 17 -15.583 0.038 -27.915 97 HB2 GLN 17 HB2 GLN 17 -13.498 0.418 -30.044 98 HB3 GLN 17 HB3 GLN 17 -15.040 1.241 -29.866 99 HG2 GLN 17 HG2 GLN 17 -12.578 1.577 -28.186 100 HG3 GLN 17 HG3 GLN 17 -13.290 2.759 -29.279 101 HE21 GLN 17 HE21 GLN 17 -13.342 1.413 -26.125 102 HE22 GLN 17 HE22 GLN 17 -14.548 2.451 -25.470 103 H THR 18 H THR 18 -16.729 -0.704 -29.820 104 HA THR 18 HA THR 18 -15.759 -3.223 -30.944 105 HB THR 18 HB THR 18 -18.260 -4.022 -30.609 106 HG1 THR 18 HG1 THR 18 -17.847 -2.078 -28.573 107 HG21 THR 18 HG21 THR 18 -17.589 -5.175 -28.541 108 HG22 THR 18 HG22 THR 18 -16.218 -4.077 -28.377 109 HG23 THR 18 HG23 THR 18 -16.292 -5.198 -29.737 110 HA PRO 19 HA PRO 19 -15.096 -3.657 -32.769 111 HB2 PRO 19 HB2 PRO 19 -13.852 -2.457 -34.855 112 HB3 PRO 19 HB3 PRO 19 -15.110 -3.684 -35.059 113 HG2 PRO 19 HG2 PRO 19 -15.336 -0.704 -35.200 114 HG3 PRO 19 HG3 PRO 19 -16.036 -1.928 -36.274 115 HD2 PRO 19 HD2 PRO 19 -17.474 -0.726 -34.330 116 HD3 PRO 19 HD3 PRO 19 -17.756 -2.409 -34.815 117 H CYS 20 H CYS 20 -12.900 -3.238 -32.347 118 HA CYS 20 HA CYS 20 -12.472 -1.244 -30.444 119 HB2 CYS 20 HB2 CYS 20 -11.326 -3.423 -30.528 120 HB3 CYS 20 HB3 CYS 20 -10.420 -2.864 -31.929 121 H GLY 21 H GLY 21 -10.787 0.422 -30.441 122 HA2 GLY 21 HA2 GLY 21 -10.751 1.785 -33.055 123 HA3 GLY 21 HA3 GLY 21 -10.830 2.609 -31.509 124 H CYS 22 H CYS 22 -8.658 0.194 -30.975 125 HA CYS 22 HA CYS 22 -6.455 1.979 -31.022 126 HB2 CYS 22 HB2 CYS 22 -6.613 -1.000 -30.628 127 HB3 CYS 22 HB3 CYS 22 -5.067 -0.155 -30.675 128 H GLY 23 H GLY 23 -6.647 -1.095 -32.820 129 HA2 GLY 23 HA2 GLY 23 -6.039 -1.600 -34.980 130 HA3 GLY 23 HA3 GLY 23 -6.003 0.124 -35.320 131 H SER 24 H SER 24 -4.095 1.291 -34.962 132 HA SER 24 HA SER 24 -1.688 -0.386 -34.720 133 HB2 SER 24 HB2 SER 24 -2.012 2.154 -36.333 134 HB3 SER 24 HB3 SER 24 -0.573 1.137 -36.264 135 HG SER 24 HG SER 24 -1.572 0.456 -38.043 136 H GLY 25 H GLY 25 -3.460 1.732 -33.021 137 HA2 GLY 25 HA2 GLY 25 -1.090 2.896 -31.711 138 HA3 GLY 25 HA3 GLY 25 -2.514 3.877 -32.037 139 H CYS 26 H CYS 26 -0.995 1.961 -29.783 140 HA CYS 26 HA CYS 26 -3.526 1.499 -28.346 141 HB2 CYS 26 HB2 CYS 26 -1.102 -0.190 -27.989 142 HB3 CYS 26 HB3 CYS 26 -2.781 -0.559 -27.606 143 H ASN 27 H ASN 27 -3.343 1.328 -26.089 144 HA ASN 27 HA ASN 27 -0.948 2.400 -24.826 145 HB2 ASN 27 HB2 ASN 27 -2.607 4.273 -25.107 146 HB3 ASN 27 HB3 ASN 27 -3.771 3.360 -24.175 147 HD21 ASN 27 HD21 ASN 27 -3.573 3.298 -21.950 148 HD22 ASN 27 HD22 ASN 27 -2.440 4.259 -21.074 149 H CYS 28 H CYS 28 -2.359 -0.207 -25.305 150 HA CYS 28 HA CYS 28 -2.899 -1.015 -22.551 151 HB2 CYS 28 HB2 CYS 28 -3.866 -3.113 -23.648 152 HB3 CYS 28 HB3 CYS 28 -4.767 -1.626 -23.881 153 H LYS 29 H LYS 29 -2.162 -3.318 -22.046 154 HA LYS 29 HA LYS 29 0.689 -3.385 -22.541 155 HB2 LYS 29 HB2 LYS 29 -0.978 -5.269 -20.865 156 HB3 LYS 29 HB3 LYS 29 0.768 -5.090 -20.828 157 HG2 LYS 29 HG2 LYS 29 -1.211 -2.962 -20.032 158 HG3 LYS 29 HG3 LYS 29 -0.337 -4.011 -18.918 159 HD2 LYS 29 HD2 LYS 29 1.028 -2.179 -20.886 160 HD3 LYS 29 HD3 LYS 29 0.618 -1.694 -19.242 161 HE2 LYS 29 HE2 LYS 29 1.957 -3.588 -18.393 162 HE3 LYS 29 HE3 LYS 29 2.434 -3.958 -20.051 163 HZ1 LYS 29 HZ1 LYS 29 3.017 -1.438 -18.588 164 HZ2 LYS 29 HZ2 LYS 29 3.409 -1.725 -20.201 165 HZ3 LYS 29 HZ3 LYS 29 4.133 -2.645 -18.984 166 H GLU 30 H GLU 30 1.751 -5.552 -22.943 167 HA GLU 30 HA GLU 30 0.820 -6.585 -25.418 168 HB2 GLU 30 HB2 GLU 30 2.733 -8.079 -25.335 169 HB3 GLU 30 HB3 GLU 30 3.204 -6.451 -24.872 170 HG2 GLU 30 HG2 GLU 30 3.320 -7.059 -22.573 171 HG3 GLU 30 HG3 GLU 30 2.602 -8.635 -22.900 172 H ASP 31 H ASP 31 0.154 -7.428 -22.190 173 HA ASP 31 HA ASP 31 -0.409 -10.186 -22.514 174 HB2 ASP 31 HB2 ASP 31 -1.118 -8.138 -20.464 175 HB3 ASP 31 HB3 ASP 31 -1.954 -9.687 -20.452 176 H CYS 32 H CYS 32 -1.954 -7.502 -23.712 177 HA CYS 32 HA CYS 32 -4.654 -8.353 -23.662 178 HB2 CYS 32 HB2 CYS 32 -3.934 -6.022 -24.076 179 HB3 CYS 32 HB3 CYS 32 -3.204 -6.527 -25.592 180 H ARG 33 H ARG 33 -5.868 -9.270 -25.452 181 HA ARG 33 HA ARG 33 -4.220 -10.727 -27.426 182 HB2 ARG 33 HB2 ARG 33 -6.609 -11.814 -25.918 183 HB3 ARG 33 HB3 ARG 33 -5.763 -12.651 -27.208 184 HG2 ARG 33 HG2 ARG 33 -4.546 -11.861 -24.566 185 HG3 ARG 33 HG3 ARG 33 -5.161 -13.465 -24.967 186 HD2 ARG 33 HD2 ARG 33 -3.522 -13.652 -26.764 187 HD3 ARG 33 HD3 ARG 33 -2.921 -12.036 -26.399 188 HE ARG 33 HE ARG 33 -2.686 -14.378 -24.620 189 HH11 ARG 33 HH11 ARG 33 -1.531 -11.245 -25.728 190 HH12 ARG 33 HH12 ARG 33 -0.113 -11.258 -24.748 191 HH21 ARG 33 HH21 ARG 33 -0.788 -14.404 -23.307 192 HH22 ARG 33 HH22 ARG 33 0.313 -13.074 -23.345 193 H CYS 34 H CYS 34 -5.660 -8.223 -27.712 194 HA CYS 34 HA CYS 34 -8.134 -8.873 -29.069 195 HB2 CYS 34 HB2 CYS 34 -7.561 -6.742 -27.618 196 HB3 CYS 34 HB3 CYS 34 -6.933 -6.153 -29.153 197 H GLN 35 H GLN 35 -8.118 -9.527 -31.073 198 HA GLN 35 HA GLN 35 -5.882 -9.439 -32.780 199 HB2 GLN 35 HB2 GLN 35 -8.787 -9.876 -33.485 200 HB3 GLN 35 HB3 GLN 35 -7.414 -10.267 -34.510 201 HG2 GLN 35 HG2 GLN 35 -8.039 -11.506 -31.841 202 HG3 GLN 35 HG3 GLN 35 -8.295 -12.247 -33.420 203 HE21 GLN 35 HE21 GLN 35 -5.950 -11.294 -31.029 204 HE22 GLN 35 HE22 GLN 35 -4.615 -12.165 -31.694 205 H SER 36 H SER 36 -8.316 -7.140 -32.114 206 HA SER 36 HA SER 36 -8.392 -5.781 -34.566 207 HB2 SER 36 HB2 SER 36 -8.968 -4.761 -31.791 208 HB3 SER 36 HB3 SER 36 -9.446 -3.980 -33.298 209 HG SER 36 HG SER 36 -11.026 -5.349 -33.515 210 H CYS 37 H CYS 37 -6.152 -5.623 -31.890 211 HA CYS 37 HA CYS 37 -4.616 -3.646 -33.424 212 HB2 CYS 37 HB2 CYS 37 -3.795 -2.862 -31.085 213 HB3 CYS 37 HB3 CYS 37 -5.358 -2.308 -31.670 214 H LYS 38 H LYS 38 -4.555 -6.556 -33.270 215 HA LYS 38 HA LYS 38 -1.780 -6.904 -32.350 216 HB2 LYS 38 HB2 LYS 38 -3.549 -7.915 -30.828 217 HB3 LYS 38 HB3 LYS 38 -3.927 -9.007 -32.146 218 HG2 LYS 38 HG2 LYS 38 -2.537 -10.254 -30.853 219 HG3 LYS 38 HG3 LYS 38 -1.416 -9.609 -32.049 220 HD2 LYS 38 HD2 LYS 38 -0.349 -9.375 -29.943 221 HD3 LYS 38 HD3 LYS 38 -0.922 -7.765 -30.381 222 HE2 LYS 38 HE2 LYS 38 -2.796 -7.978 -28.932 223 HE3 LYS 38 HE3 LYS 38 -2.424 -9.668 -28.617 224 HZ1 LYS 38 HZ1 LYS 38 -0.759 -7.332 -27.832 225 HZ2 LYS 38 HZ2 LYS 38 -0.319 -8.946 -27.611 226 HZ3 LYS 38 HZ3 LYS 38 -1.657 -8.321 -26.791 227 H TYR 39 H TYR 39 -1.968 -6.272 -34.858 228 HA TYR 39 HA TYR 39 -2.501 -8.531 -36.563 229 HB2 TYR 39 HB2 TYR 39 -1.581 -7.089 -38.419 230 HB3 TYR 39 HB3 TYR 39 -2.953 -6.400 -37.576 231 HD1 TYR 39 HD1 TYR 39 0.628 -6.124 -38.243 232 HD2 TYR 39 HD2 TYR 39 -2.683 -4.401 -36.209 233 HE1 TYR 39 HE1 TYR 39 1.915 -4.059 -37.908 234 HE2 TYR 39 HE2 TYR 39 -1.404 -2.331 -35.864 235 HH TYR 39 HH TYR 39 0.970 -1.636 -35.762 236 H GLY 40 H GLY 40 -0.720 -9.097 -38.268 237 HA2 GLY 40 HA2 GLY 40 1.395 -10.246 -36.646 238 HA3 GLY 40 HA3 GLY 40 1.019 -10.649 -38.313 239 H ALA 41 H ALA 41 2.071 -9.634 -39.953 240 HA ALA 41 HA ALA 41 4.542 -8.367 -39.243 241 HB1 ALA 41 HB1 ALA 41 3.348 -8.861 -41.965 242 HB2 ALA 41 HB2 ALA 41 4.402 -9.970 -41.093 243 HB3 ALA 41 HB3 ALA 41 5.018 -8.405 -41.626 244 H GLY 42 H GLY 42 1.590 -7.397 -40.905 245 HA2 GLY 42 HA2 GLY 42 1.261 -4.916 -39.952 246 HA3 GLY 42 HA3 GLY 42 2.543 -4.670 -41.126 247 H CYS 43 H CYS 43 -0.769 -5.762 -40.714 248 HA CYS 43 HA CYS 43 -1.246 -4.937 -43.476 249 HB2 CYS 43 HB2 CYS 43 -2.164 -7.410 -42.081 250 HB3 CYS 43 HB3 CYS 43 -3.175 -6.688 -43.333 251 H THR 44 H THR 44 -3.105 -3.842 -43.887 252 HA THR 44 HA THR 44 -4.145 -2.294 -41.762 253 HB THR 44 HB THR 44 -5.742 -1.440 -43.484 254 HG1 THR 44 HG1 THR 44 -4.355 -2.945 -45.427 255 HG21 THR 44 HG21 THR 44 -4.029 -0.415 -44.924 256 HG22 THR 44 HG22 THR 44 -2.847 -1.583 -44.336 257 HG23 THR 44 HG23 THR 44 -3.549 -0.406 -43.228 258 H ASP 45 H ASP 45 -6.368 -2.154 -41.094 259 HA ASP 45 HA ASP 45 -7.573 -4.671 -40.555 260 HB2 ASP 45 HB2 ASP 45 -9.300 -3.417 -39.444 261 HB3 ASP 45 HB3 ASP 45 -7.763 -2.634 -39.099 262 H VAL 46 H VAL 46 -7.709 -2.455 -43.094 263 HA VAL 46 HA VAL 46 -10.242 -3.063 -44.203 264 HB VAL 46 HB VAL 46 -7.791 -2.100 -45.683 265 HG11 VAL 46 HG11 VAL 46 -9.658 -2.761 -47.114 266 HG12 VAL 46 HG12 VAL 46 -9.413 -1.016 -47.159 267 HG13 VAL 46 HG13 VAL 46 -10.733 -1.696 -46.211 268 HG21 VAL 46 HG21 VAL 46 -8.134 -0.726 -43.705 269 HG22 VAL 46 HG22 VAL 46 -9.823 -0.492 -44.149 270 HG23 VAL 46 HG23 VAL 46 -8.543 0.176 -45.167 271 H CYS 47 H CYS 47 -7.056 -4.472 -44.447 272 HA CYS 47 HA CYS 47 -7.699 -6.257 -46.598 273 HB2 CYS 47 HB2 CYS 47 -5.403 -5.607 -46.298 274 HB3 CYS 47 HB3 CYS 47 -5.411 -6.147 -44.625 275 H LYS 48 H LYS 48 -7.997 -6.253 -43.169 276 HA LYS 48 HA LYS 48 -8.381 -9.116 -43.008 277 HB2 LYS 48 HB2 LYS 48 -8.781 -7.054 -40.837 278 HB3 LYS 48 HB3 LYS 48 -8.579 -8.789 -40.630 279 HG2 LYS 48 HG2 LYS 48 -6.488 -6.886 -41.674 280 HG3 LYS 48 HG3 LYS 48 -6.546 -7.562 -40.045 281 HD2 LYS 48 HD2 LYS 48 -6.207 -9.802 -40.920 282 HD3 LYS 48 HD3 LYS 48 -6.317 -9.201 -42.574 283 HE2 LYS 48 HE2 LYS 48 -4.310 -7.899 -42.256 284 HE3 LYS 48 HE3 LYS 48 -4.207 -8.429 -40.579 285 HZ1 LYS 48 HZ1 LYS 48 -4.037 -10.193 -42.961 286 HZ2 LYS 48 HZ2 LYS 48 -3.923 -10.693 -41.353 287 HZ3 LYS 48 HZ3 LYS 48 -2.729 -9.703 -42.009 288 H GLN 49 H GLN 49 -10.199 -6.673 -44.100 289 HA GLN 49 HA GLN 49 -12.716 -7.055 -42.885 290 HB2 GLN 49 HB2 GLN 49 -11.824 -5.890 -45.498 291 HB3 GLN 49 HB3 GLN 49 -13.528 -6.061 -45.116 292 HG2 GLN 49 HG2 GLN 49 -13.229 -4.657 -43.159 293 HG3 GLN 49 HG3 GLN 49 -11.513 -4.511 -43.524 294 HE21 GLN 49 HE21 GLN 49 -11.850 -2.230 -43.611 295 HE22 GLN 49 HE22 GLN 49 -12.504 -1.492 -45.031 296 H THR 50 H THR 50 -14.612 -7.883 -44.012 297 HA THR 50 HA THR 50 -14.183 -9.872 -46.053 298 HB THR 50 HB THR 50 -15.465 -10.642 -43.414 299 HG1 THR 50 HG1 THR 50 -12.872 -10.669 -44.248 300 HG21 THR 50 HG21 THR 50 -16.430 -11.759 -45.371 301 HG22 THR 50 HG22 THR 50 -15.508 -12.893 -44.383 302 HG23 THR 50 HG23 THR 50 -14.820 -12.266 -45.880 303 HA PRO 51 HA PRO 51 -14.955 -10.091 -47.922 304 HB2 PRO 51 HB2 PRO 51 -15.521 -8.373 -49.947 305 HB3 PRO 51 HB3 PRO 51 -16.478 -9.821 -49.615 306 HG2 PRO 51 HG2 PRO 51 -17.022 -6.974 -48.870 307 HG3 PRO 51 HG3 PRO 51 -18.144 -8.204 -49.481 308 HD2 PRO 51 HD2 PRO 51 -17.979 -7.545 -46.852 309 HD3 PRO 51 HD3 PRO 51 -18.404 -9.175 -47.409 310 H CYS 52 H CYS 52 -12.952 -9.406 -48.536 311 HA CYS 52 HA CYS 52 -11.831 -7.255 -47.097 312 HB2 CYS 52 HB2 CYS 52 -10.576 -9.280 -47.737 313 HB3 CYS 52 HB3 CYS 52 -10.672 -8.788 -49.422 314 H GLY 53 H GLY 53 -11.325 -5.208 -47.677 315 HA2 GLY 53 HA2 GLY 53 -12.066 -4.392 -50.414 316 HA3 GLY 53 HA3 GLY 53 -12.511 -3.443 -49.005 317 H CYS 54 H CYS 54 -9.439 -5.065 -49.249 318 HA CYS 54 HA CYS 54 -8.024 -2.734 -48.609 319 HB2 CYS 54 HB2 CYS 54 -7.292 -5.162 -48.273 320 HB3 CYS 54 HB3 CYS 54 -6.789 -5.125 -49.962 321 H ALA 55 H ALA 55 -8.321 -4.460 -51.716 322 HA ALA 55 HA ALA 55 -6.711 -2.627 -53.156 323 HB1 ALA 55 HB1 ALA 55 -7.168 -4.913 -53.932 324 HB2 ALA 55 HB2 ALA 55 -7.575 -3.709 -55.154 325 HB3 ALA 55 HB3 ALA 55 -8.851 -4.471 -54.209 326 H THR 56 H THR 56 -10.057 -2.660 -52.265 327 HA THR 56 HA THR 56 -10.999 -0.759 -54.137 328 HB THR 56 HB THR 56 -12.156 -1.340 -51.405 329 HG1 THR 56 HG1 THR 56 -13.441 -2.833 -53.019 330 HG21 THR 56 HG21 THR 56 -13.161 0.559 -52.597 331 HG22 THR 56 HG22 THR 56 -14.287 -0.796 -52.511 332 HG23 THR 56 HG23 THR 56 -13.423 -0.460 -54.012 333 H SER 57 H SER 57 -9.861 -0.483 -50.779 334 HA SER 57 HA SER 57 -10.193 2.396 -50.810 335 HB2 SER 57 HB2 SER 57 -10.637 1.133 -48.747 336 HB3 SER 57 HB3 SER 57 -8.968 0.565 -48.728 337 HG SER 57 HG SER 57 -8.395 2.376 -47.842 338 H GLY 58 H GLY 58 -7.686 0.044 -51.212 339 HA2 GLY 58 HA2 GLY 58 -5.867 1.152 -52.677 340 HA3 GLY 58 HA3 GLY 58 -5.616 2.101 -51.213 341 H CYS 59 H CYS 59 -4.850 -0.730 -52.842 342 HA CYS 59 HA CYS 59 -4.434 -2.547 -50.761 343 HB2 CYS 59 HB2 CYS 59 -4.383 -2.942 -53.294 344 HB3 CYS 59 HB3 CYS 59 -2.718 -2.377 -53.233 345 H ASN 60 H ASN 60 -3.192 -2.268 -49.053 346 HA ASN 60 HA ASN 60 -0.947 -0.406 -49.235 347 HB2 ASN 60 HB2 ASN 60 -2.769 -0.183 -47.468 348 HB3 ASN 60 HB3 ASN 60 -2.067 -1.608 -46.709 349 HD21 ASN 60 HD21 ASN 60 -0.088 -1.441 -45.684 350 HD22 ASN 60 HD22 ASN 60 0.649 0.078 -45.328 351 H CYS 61 H CYS 61 -1.649 -3.776 -48.693 352 HA CYS 61 HA CYS 61 1.077 -4.303 -47.837 353 HB2 CYS 61 HB2 CYS 61 0.331 -6.624 -47.550 354 HB3 CYS 61 HB3 CYS 61 -0.744 -5.510 -46.717 355 H THR 62 H THR 62 1.274 -6.895 -49.089 356 HA THR 62 HA THR 62 1.763 -6.030 -51.852 357 HB THR 62 HB THR 62 3.569 -7.806 -51.844 358 HG1 THR 62 HG1 THR 62 3.444 -7.589 -49.026 359 HG21 THR 62 HG21 THR 62 3.873 -5.522 -49.887 360 HG22 THR 62 HG22 THR 62 4.104 -5.423 -51.632 361 HG23 THR 62 HG23 THR 62 5.195 -6.403 -50.651 362 H ASP 63 H ASP 63 1.409 -7.515 -53.526 363 HA ASP 63 HA ASP 63 -0.851 -9.172 -53.346 364 HB2 ASP 63 HB2 ASP 63 1.360 -9.033 -55.396 365 HB3 ASP 63 HB3 ASP 63 -0.056 -10.057 -55.591 366 H ASP 64 H ASP 64 2.370 -9.750 -52.548 367 HA ASP 64 HA ASP 64 2.571 -12.569 -52.847 368 HB2 ASP 64 HB2 ASP 64 4.414 -10.806 -52.530 369 HB3 ASP 64 HB3 ASP 64 4.038 -10.900 -50.814 370 H CYS 65 H CYS 65 0.716 -10.677 -50.756 371 HA CYS 65 HA CYS 65 0.797 -12.035 -48.294 372 HB2 CYS 65 HB2 CYS 65 -0.254 -9.806 -48.653 373 HB3 CYS 65 HB3 CYS 65 -1.533 -10.571 -49.582 374 H LYS 66 H LYS 66 -0.837 -13.495 -47.378 375 HA LYS 66 HA LYS 66 -1.458 -15.645 -49.172 376 HB2 LYS 66 HB2 LYS 66 -2.239 -16.850 -47.231 377 HB3 LYS 66 HB3 LYS 66 -0.722 -16.056 -46.851 378 HG2 LYS 66 HG2 LYS 66 -1.778 -15.436 -45.001 379 HG3 LYS 66 HG3 LYS 66 -2.505 -14.192 -46.015 380 HD2 LYS 66 HD2 LYS 66 -4.407 -15.741 -46.461 381 HD3 LYS 66 HD3 LYS 66 -3.699 -16.885 -45.320 382 HE2 LYS 66 HE2 LYS 66 -3.923 -15.276 -43.524 383 HE3 LYS 66 HE3 LYS 66 -4.525 -14.064 -44.652 384 HZ1 LYS 66 HZ1 LYS 66 -6.448 -15.464 -45.076 385 HZ2 LYS 66 HZ2 LYS 66 -6.325 -15.102 -43.431 386 HZ3 LYS 66 HZ3 LYS 66 -5.873 -16.627 -43.991 387 H CYS 67 H CYS 67 -2.951 -12.806 -48.599 388 HA CYS 67 HA CYS 67 -5.678 -13.733 -48.643 389 HB2 CYS 67 HB2 CYS 67 -4.933 -11.634 -47.466 390 HB3 CYS 67 HB3 CYS 67 -4.637 -10.925 -49.049 391 H GLN 68 H GLN 68 -6.867 -14.063 -50.432 392 HA GLN 68 HA GLN 68 -5.588 -13.496 -53.003 393 HB2 GLN 68 HB2 GLN 68 -7.308 -15.152 -53.898 394 HB3 GLN 68 HB3 GLN 68 -6.041 -15.796 -52.871 395 HG2 GLN 68 HG2 GLN 68 -8.057 -16.872 -52.244 396 HG3 GLN 68 HG3 GLN 68 -7.678 -15.729 -50.963 397 HE21 GLN 68 HE21 GLN 68 -9.815 -16.481 -53.596 398 HE22 GLN 68 HE22 GLN 68 -11.063 -15.362 -53.173 399 H SER 69 H SER 69 -7.408 -11.735 -51.216 400 HA SER 69 HA SER 69 -9.605 -11.270 -53.047 401 HB2 SER 69 HB2 SER 69 -8.938 -9.872 -50.457 402 HB3 SER 69 HB3 SER 69 -10.449 -9.744 -51.362 403 HG SER 69 HG SER 69 -9.878 -12.330 -50.940 404 H CYS 70 H CYS 70 -6.887 -9.331 -51.722 405 HA CYS 70 HA CYS 70 -7.450 -7.303 -53.754 406 HB2 CYS 70 HB2 CYS 70 -5.703 -6.007 -52.393 407 HB3 CYS 70 HB3 CYS 70 -7.290 -6.288 -51.681 408 H SER 71 H SER 71 -5.699 -10.006 -53.747 409 HA SER 71 HA SER 71 -3.245 -8.897 -54.834 410 HB2 SER 71 HB2 SER 71 -2.663 -11.402 -54.967 411 HB3 SER 71 HB3 SER 71 -2.804 -10.666 -53.370 412 HG SER 71 HG SER 71 -4.166 -12.217 -53.033 413 H THR 72 H THR 72 -2.392 -9.603 -56.861 414 HA THR 72 HA THR 72 -4.233 -9.475 -58.989 415 HB THR 72 HB THR 72 -2.094 -10.155 -60.331 416 HG1 THR 72 HG1 THR 72 -0.840 -9.265 -57.957 417 HG21 THR 72 HG21 THR 72 -2.226 -7.613 -58.705 418 HG22 THR 72 HG22 THR 72 -3.012 -7.892 -60.261 419 HG23 THR 72 HG23 THR 72 -1.251 -7.853 -60.154 420 H ALA 73 H ALA 73 -5.362 -10.986 -59.892 421 HA ALA 73 HA ALA 73 -5.234 -13.703 -59.126 422 HB1 ALA 73 HB1 ALA 73 -7.342 -12.803 -59.706 423 HB2 ALA 73 HB2 ALA 73 -6.928 -13.950 -60.990 424 HB3 ALA 73 HB3 ALA 73 -6.739 -12.222 -61.255 425 H CYS 74 H CYS 74 -4.446 -15.460 -60.177 426 HA CYS 74 HA CYS 74 -2.460 -15.249 -62.144 427 HB2 CYS 74 HB2 CYS 74 -3.604 -17.313 -60.576 428 HB3 CYS 74 HB3 CYS 74 -3.747 -17.837 -62.245 429 H LYS 75 H LYS 75 -2.576 -15.809 -64.395 430 HA LYS 75 HA LYS 75 -5.136 -14.959 -65.533 431 HB2 LYS 75 HB2 LYS 75 -2.370 -15.047 -66.675 432 HB3 LYS 75 HB3 LYS 75 -3.798 -14.484 -67.543 433 HG2 LYS 75 HG2 LYS 75 -4.097 -12.677 -66.106 434 HG3 LYS 75 HG3 LYS 75 -2.988 -13.342 -64.909 435 HD2 LYS 75 HD2 LYS 75 -1.134 -12.929 -66.270 436 HD3 LYS 75 HD3 LYS 75 -2.152 -12.544 -67.666 437 HE2 LYS 75 HE2 LYS 75 -3.098 -10.624 -66.389 438 HE3 LYS 75 HE3 LYS 75 -1.960 -10.966 -65.091 439 HZ1 LYS 75 HZ1 LYS 75 -0.155 -10.565 -66.660 440 HZ2 LYS 75 HZ2 LYS 75 -1.137 -9.210 -66.462 441 HZ3 LYS 75 HZ3 LYS 75 -1.277 -10.155 -67.859 442 H CYS 76 H CYS 76 -3.684 -17.760 -64.961 443 HA CYS 76 HA CYS 76 -4.013 -19.270 -67.305 444 HB2 CYS 76 HB2 CYS 76 -4.414 -20.201 -64.470 445 HB3 CYS 76 HB3 CYS 76 -3.980 -21.196 -65.859 446 H ALA 77 H ALA 77 -5.673 -20.969 -67.627 447 HA ALA 77 HA ALA 77 -8.344 -19.966 -66.920 448 HB1 ALA 77 HB1 ALA 77 -7.553 -21.709 -69.245 449 HB2 ALA 77 HB2 ALA 77 -7.809 -19.967 -69.331 450 HB3 ALA 77 HB3 ALA 77 -9.153 -21.041 -68.933 451 H ALA 78 H ALA 78 -10.021 -21.773 -66.897 452 HA ALA 78 HA ALA 78 -9.309 -23.637 -64.897 453 HB1 ALA 78 HB1 ALA 78 -11.578 -24.492 -65.138 454 HB2 ALA 78 HB2 ALA 78 -11.769 -23.601 -66.646 455 HB3 ALA 78 HB3 ALA 78 -11.581 -22.728 -65.125 456 H GLY 79 H GLY 79 -7.712 -24.973 -65.538 457 HA2 GLY 79 HA2 GLY 79 -7.338 -27.247 -66.220 458 HA3 GLY 79 HA3 GLY 79 -8.437 -26.973 -67.568 459 H SER 80 H SER 80 -6.453 -24.307 -67.111 460 HA SER 80 HA SER 80 -4.392 -25.332 -68.909 461 HB2 SER 80 HB2 SER 80 -5.938 -22.787 -69.421 462 HB3 SER 80 HB3 SER 80 -4.638 -23.434 -70.416 463 HG SER 80 HG SER 80 -6.020 -25.327 -70.693 464 H CYS 81 H CYS 81 -2.810 -25.169 -67.324 465 HA CYS 81 HA CYS 81 -2.328 -22.614 -66.031 466 HB2 CYS 81 HB2 CYS 81 -1.893 -24.656 -64.745 467 HB3 CYS 81 HB3 CYS 81 -0.764 -25.213 -65.975 468 H LYS 82 H LYS 82 -1.112 -21.080 -66.904 469 HA LYS 82 HA LYS 82 0.206 -21.701 -69.412 470 HB2 LYS 82 HB2 LYS 82 -0.247 -19.019 -68.162 471 HB3 LYS 82 HB3 LYS 82 0.230 -19.352 -69.824 472 HG2 LYS 82 HG2 LYS 82 -1.911 -20.550 -70.149 473 HG3 LYS 82 HG3 LYS 82 -2.389 -20.049 -68.525 474 HD2 LYS 82 HD2 LYS 82 -3.344 -18.436 -69.868 475 HD3 LYS 82 HD3 LYS 82 -1.828 -17.705 -69.332 476 HE2 LYS 82 HE2 LYS 82 -2.198 -17.325 -71.701 477 HE3 LYS 82 HE3 LYS 82 -0.766 -18.314 -71.417 478 HZ1 LYS 82 HZ1 LYS 82 -2.045 -20.278 -71.988 479 HZ2 LYS 82 HZ2 LYS 82 -2.120 -19.161 -73.251 480 HZ3 LYS 82 HZ3 LYS 82 -3.436 -19.346 -72.212 481 H CYS 83 H CYS 83 1.029 -19.851 -66.488 482 HA CYS 83 HA CYS 83 3.755 -19.562 -67.169 483 HB2 CYS 83 HB2 CYS 83 4.017 -18.928 -64.768 484 HB3 CYS 83 HB3 CYS 83 2.755 -18.040 -65.621 485 H GLY 84 H GLY 84 1.995 -22.071 -65.490 486 HA2 GLY 84 HA2 GLY 84 2.799 -24.294 -65.374 487 HA3 GLY 84 HA3 GLY 84 4.439 -23.684 -65.516 488 H LYS 85 H LYS 85 2.252 -22.202 -63.252 489 HA LYS 85 HA LYS 85 3.914 -23.193 -61.075 490 HB2 LYS 85 HB2 LYS 85 1.836 -21.017 -61.242 491 HB3 LYS 85 HB3 LYS 85 2.491 -21.560 -59.703 492 HG2 LYS 85 HG2 LYS 85 4.245 -20.605 -61.950 493 HG3 LYS 85 HG3 LYS 85 3.562 -19.510 -60.747 494 HD2 LYS 85 HD2 LYS 85 5.142 -21.942 -59.933 495 HD3 LYS 85 HD3 LYS 85 5.942 -20.424 -60.343 496 HE2 LYS 85 HE2 LYS 85 3.836 -20.787 -58.209 497 HE3 LYS 85 HE3 LYS 85 5.569 -20.637 -57.923 498 HZ1 LYS 85 HZ1 LYS 85 5.432 -18.416 -59.005 499 HZ2 LYS 85 HZ2 LYS 85 4.588 -18.515 -57.553 500 HZ3 LYS 85 HZ3 LYS 85 3.745 -18.557 -59.025 501 H GLY 86 H GLY 86 1.006 -23.955 -62.573 502 HA2 GLY 86 HA2 GLY 86 -0.077 -25.994 -62.082 503 HA3 GLY 86 HA3 GLY 86 0.431 -25.842 -60.408 504 H CYS 87 H CYS 87 -0.756 -22.916 -61.554 505 HA CYS 87 HA CYS 87 -3.270 -23.403 -60.143 506 HB2 CYS 87 HB2 CYS 87 -2.093 -20.732 -60.950 507 HB3 CYS 87 HB3 CYS 87 -3.411 -21.029 -59.831 508 H THR 88 H THR 88 -5.103 -23.517 -61.253 509 HA THR 88 HA THR 88 -4.998 -22.764 -64.062 510 HB THR 88 HB THR 88 -7.253 -24.059 -64.079 511 HG1 THR 88 HG1 THR 88 -7.714 -24.524 -62.021 512 HG21 THR 88 HG21 THR 88 -6.038 -26.191 -64.351 513 HG22 THR 88 HG22 THR 88 -4.614 -25.456 -63.616 514 HG23 THR 88 HG23 THR 88 -5.219 -24.856 -65.159 515 H GLY 89 H GLY 89 -5.098 -20.573 -62.636 516 HA2 GLY 89 HA2 GLY 89 -6.572 -18.691 -63.231 517 HA3 GLY 89 HA3 GLY 89 -7.919 -19.712 -62.746 518 HA PRO 90 HA PRO 90 -6.362 -16.860 -59.234 519 HB2 PRO 90 HB2 PRO 90 -8.904 -15.885 -58.732 520 HB3 PRO 90 HB3 PRO 90 -7.684 -15.065 -59.702 521 HG2 PRO 90 HG2 PRO 90 -9.947 -16.811 -60.578 522 HG3 PRO 90 HG3 PRO 90 -9.394 -15.275 -61.284 523 HD2 PRO 90 HD2 PRO 90 -8.772 -17.587 -62.430 524 HD3 PRO 90 HD3 PRO 90 -7.552 -16.297 -62.311 525 H ASP 91 H ASP 91 -9.182 -18.931 -59.691 526 HA ASP 91 HA ASP 91 -9.835 -19.269 -56.953 527 HB2 ASP 91 HB2 ASP 91 -11.285 -21.072 -57.712 528 HB3 ASP 91 HB3 ASP 91 -11.425 -19.699 -58.805 529 H SER 92 H SER 92 -7.774 -21.007 -59.180 530 HA SER 92 HA SER 92 -7.147 -23.050 -57.219 531 HB2 SER 92 HB2 SER 92 -7.394 -23.768 -59.517 532 HB3 SER 92 HB3 SER 92 -6.223 -22.572 -60.062 533 HG SER 92 HG SER 92 -5.832 -25.041 -58.851 534 H CYS 93 H CYS 93 -5.957 -20.059 -58.352 535 HA CYS 93 HA CYS 93 -3.226 -20.259 -57.900 536 HB2 CYS 93 HB2 CYS 93 -4.125 -18.419 -59.104 537 HB3 CYS 93 HB3 CYS 93 -5.085 -17.908 -57.721 538 H LYS 94 H LYS 94 -1.925 -19.977 -56.239 539 HA LYS 94 HA LYS 94 -2.716 -18.846 -53.742 540 HB2 LYS 94 HB2 LYS 94 -2.331 -20.860 -52.366 541 HB3 LYS 94 HB3 LYS 94 -3.717 -21.030 -53.432 542 HG2 LYS 94 HG2 LYS 94 -2.817 -23.038 -53.876 543 HG3 LYS 94 HG3 LYS 94 -1.786 -22.117 -54.970 544 HD2 LYS 94 HD2 LYS 94 -0.105 -21.926 -53.147 545 HD3 LYS 94 HD3 LYS 94 -1.126 -22.959 -52.142 546 HE2 LYS 94 HE2 LYS 94 0.189 -23.691 -54.757 547 HE3 LYS 94 HE3 LYS 94 0.610 -24.294 -53.157 548 HZ1 LYS 94 HZ1 LYS 94 -1.930 -24.792 -54.614 549 HZ2 LYS 94 HZ2 LYS 94 -1.617 -25.310 -53.042 550 HZ3 LYS 94 HZ3 LYS 94 -0.706 -25.917 -54.322 551 H CYS 95 H CYS 95 -0.659 -18.774 -55.925 552 HA CYS 95 HA CYS 95 1.742 -19.630 -54.562 553 HB2 CYS 95 HB2 CYS 95 2.960 -19.061 -56.589 554 HB3 CYS 95 HB3 CYS 95 1.598 -20.116 -56.931 555 H ASP 96 H ASP 96 2.020 -16.876 -56.434 556 HA ASP 96 HA ASP 96 2.340 -15.047 -54.208 557 HB2 ASP 96 HB2 ASP 96 4.741 -14.608 -54.762 558 HB3 ASP 96 HB3 ASP 96 4.440 -16.183 -54.039 559 H ARG 97 H ARG 97 3.891 -13.116 -55.358 560 HA ARG 97 HA ARG 97 2.248 -12.284 -57.644 561 HB2 ARG 97 HB2 ARG 97 2.817 -10.011 -57.037 562 HB3 ARG 97 HB3 ARG 97 2.164 -10.866 -55.642 563 HG2 ARG 97 HG2 ARG 97 4.316 -11.110 -54.676 564 HG3 ARG 97 HG3 ARG 97 5.104 -10.538 -56.145 565 HD2 ARG 97 HD2 ARG 97 4.116 -8.346 -55.836 566 HD3 ARG 97 HD3 ARG 97 3.277 -8.908 -54.391 567 HE ARG 97 HE ARG 97 5.907 -9.448 -53.888 568 HH11 ARG 97 HH11 ARG 97 4.182 -6.519 -54.762 569 HH12 ARG 97 HH12 ARG 97 5.260 -5.475 -53.902 570 HH21 ARG 97 HH21 ARG 97 7.335 -8.062 -52.752 571 HH22 ARG 97 HH22 ARG 97 7.060 -6.351 -52.768 572 H SER 98 H SER 98 5.120 -13.731 -57.241 573 HA SER 98 HA SER 98 6.725 -11.926 -58.861 574 HB2 SER 98 HB2 SER 98 7.436 -14.608 -57.647 575 HB3 SER 98 HB3 SER 98 8.562 -13.462 -58.378 576 HG SER 98 HG SER 98 7.473 -11.980 -56.676 577 H CYS 99 H CYS 99 4.378 -13.957 -59.579 578 HA CYS 99 HA CYS 99 5.316 -15.711 -61.532 579 HB2 CYS 99 HB2 CYS 99 2.746 -14.468 -60.841 580 HB3 CYS 99 HB3 CYS 99 2.870 -15.052 -62.493 581 H SER 100 H SER 100 5.718 -15.537 -63.684 582 HA SER 100 HA SER 100 6.459 -12.976 -64.670 583 HB2 SER 100 HB2 SER 100 7.697 -15.038 -65.258 584 HB3 SER 100 HB3 SER 100 6.282 -15.632 -66.121 585 HG SER 100 HG SER 100 8.139 -13.709 -66.843 586 H CYS 101 H CYS 101 3.504 -14.585 -64.564 587 HA CYS 101 HA CYS 101 2.527 -13.431 -67.031 588 HB2 CYS 101 HB2 CYS 101 0.445 -14.583 -66.552 589 HB3 CYS 101 HB3 CYS 101 1.798 -15.693 -66.376 590 H LYS 102 H LYS 102 2.659 -12.609 -63.682 591 HA LYS 102 HA LYS 102 0.292 -11.113 -63.405 592 HB2 LYS 102 HB2 LYS 102 2.947 -10.534 -62.068 593 HB3 LYS 102 HB3 LYS 102 1.366 -10.006 -61.511 594 HG2 LYS 102 HG2 LYS 102 2.310 -12.856 -61.665 595 HG3 LYS 102 HG3 LYS 102 2.290 -11.875 -60.204 596 HD2 LYS 102 HD2 LYS 102 -0.215 -11.716 -60.419 597 HD3 LYS 102 HD3 LYS 102 -0.100 -12.762 -61.830 598 HE2 LYS 102 HE2 LYS 102 0.819 -14.548 -60.489 599 HE3 LYS 102 HE3 LYS 102 0.850 -13.509 -59.068 600 HZ1 LYS 102 HZ1 LYS 102 -1.028 -15.005 -59.039 601 HZ2 LYS 102 HZ2 LYS 102 -1.579 -14.401 -60.517 602 HZ3 LYS 102 HZ3 LYS 102 -1.569 -13.402 -59.147 Start of MODEL 4 1 HA2 GLY 1 HA2 GLY 1 -2.075 -10.090 -14.416 2 HA3 GLY 1 HA3 GLY 1 -3.273 -8.925 -13.872 3 H SER 2 H SER 2 -0.434 -7.340 -13.733 4 HA SER 2 HA SER 2 -0.907 -6.049 -16.299 5 HB2 SER 2 HB2 SER 2 0.711 -4.338 -15.386 6 HB3 SER 2 HB3 SER 2 -0.765 -4.541 -14.441 7 HG SER 2 HG SER 2 1.573 -6.000 -13.842 8 H MET 3 H MET 3 0.154 -6.790 -17.984 9 HA MET 3 HA MET 3 1.801 -7.472 -19.386 10 HB2 MET 3 HB2 MET 3 3.215 -5.750 -18.228 11 HB3 MET 3 HB3 MET 3 3.758 -7.002 -17.121 12 HG2 MET 3 HG2 MET 3 5.413 -6.650 -18.827 13 HG3 MET 3 HG3 MET 3 4.692 -8.247 -19.023 14 HE1 MET 3 HE1 MET 3 6.419 -6.860 -21.304 15 HE2 MET 3 HE2 MET 3 5.436 -7.218 -22.723 16 HE3 MET 3 HE3 MET 3 5.663 -8.444 -21.477 17 H SER 4 H SER 4 2.789 -8.665 -16.183 18 HA SER 4 HA SER 4 3.089 -11.352 -17.255 19 HB2 SER 4 HB2 SER 4 4.762 -10.411 -15.637 20 HB3 SER 4 HB3 SER 4 3.490 -10.322 -14.422 21 HG SER 4 HG SER 4 4.108 -12.278 -13.959 22 H SER 5 H SER 5 1.781 -13.105 -16.575 23 HA SER 5 HA SER 5 -0.167 -14.150 -16.018 24 HB2 SER 5 HB2 SER 5 -0.627 -11.900 -14.035 25 HB3 SER 5 HB3 SER 5 -1.270 -13.542 -13.961 26 HG SER 5 HG SER 5 1.225 -12.561 -13.276 27 H VAL 6 H VAL 6 -0.057 -12.261 -18.117 28 HA VAL 6 HA VAL 6 -2.312 -10.525 -18.058 29 HB VAL 6 HB VAL 6 -0.376 -9.939 -19.403 30 HG11 VAL 6 HG11 VAL 6 -1.005 -12.391 -21.039 31 HG12 VAL 6 HG12 VAL 6 0.419 -12.127 -20.030 32 HG13 VAL 6 HG13 VAL 6 0.169 -11.149 -21.475 33 HG21 VAL 6 HG21 VAL 6 -2.564 -9.102 -20.109 34 HG22 VAL 6 HG22 VAL 6 -2.755 -10.507 -21.161 35 HG23 VAL 6 HG23 VAL 6 -1.481 -9.335 -21.481 36 H PHE 7 H PHE 7 -4.333 -10.857 -18.663 37 HA PHE 7 HA PHE 7 -5.041 -13.467 -19.819 38 HB2 PHE 7 HB2 PHE 7 -7.305 -13.051 -18.811 39 HB3 PHE 7 HB3 PHE 7 -6.010 -13.209 -17.630 40 HD1 PHE 7 HD1 PHE 7 -8.442 -10.946 -19.148 41 HD2 PHE 7 HD2 PHE 7 -5.263 -11.286 -16.338 42 HE1 PHE 7 HE1 PHE 7 -9.086 -8.788 -18.161 43 HE2 PHE 7 HE2 PHE 7 -5.903 -9.128 -15.348 44 HZ PHE 7 HZ PHE 7 -7.816 -7.876 -16.261 45 H GLY 8 H GLY 8 -4.423 -10.577 -20.874 46 HA2 GLY 8 HA2 GLY 8 -5.305 -10.507 -23.327 47 HA3 GLY 8 HA3 GLY 8 -6.823 -10.179 -22.502 48 H ALA 9 H ALA 9 -5.618 -8.654 -20.394 49 HA ALA 9 HA ALA 9 -5.415 -6.142 -21.807 50 HB1 ALA 9 HB1 ALA 9 -5.585 -5.101 -19.611 51 HB2 ALA 9 HB2 ALA 9 -5.501 -6.687 -18.844 52 HB3 ALA 9 HB3 ALA 9 -6.881 -6.272 -19.861 53 H GLY 10 H GLY 10 -3.367 -6.826 -22.730 54 HA2 GLY 10 HA2 GLY 10 -1.191 -5.826 -21.035 55 HA3 GLY 10 HA3 GLY 10 -0.984 -7.377 -21.839 56 H CYS 11 H CYS 11 -2.169 -4.152 -22.710 57 HA CYS 11 HA CYS 11 -1.087 -4.432 -25.347 58 HB2 CYS 11 HB2 CYS 11 -2.389 -2.086 -23.965 59 HB3 CYS 11 HB3 CYS 11 -1.902 -2.100 -25.657 60 H THR 12 H THR 12 0.152 -2.464 -26.214 61 HA THR 12 HA THR 12 2.569 -2.264 -24.593 62 HB THR 12 HB THR 12 2.885 -3.150 -26.838 63 HG1 THR 12 HG1 THR 12 4.679 -2.064 -26.695 64 HG21 THR 12 HG21 THR 12 2.405 -1.787 -28.829 65 HG22 THR 12 HG22 THR 12 1.639 -0.575 -27.802 66 HG23 THR 12 HG23 THR 12 0.940 -2.188 -27.934 67 H ASP 13 H ASP 13 3.774 -0.194 -24.817 68 HA ASP 13 HA ASP 13 2.244 1.930 -23.789 69 HB2 ASP 13 HB2 ASP 13 4.311 3.231 -23.879 70 HB3 ASP 13 HB3 ASP 13 4.628 1.608 -23.274 71 H THR 14 H THR 14 3.326 1.118 -27.001 72 HA THR 14 HA THR 14 2.873 3.579 -28.279 73 HB THR 14 HB THR 14 2.536 0.849 -29.525 74 HG1 THR 14 HG1 THR 14 4.896 2.320 -28.883 75 HG21 THR 14 HG21 THR 14 3.485 3.506 -30.605 76 HG22 THR 14 HG22 THR 14 1.942 2.726 -30.961 77 HG23 THR 14 HG23 THR 14 3.447 1.993 -31.517 78 H CYS 15 H CYS 15 0.707 1.326 -26.970 79 HA CYS 15 HA CYS 15 -1.493 2.016 -28.725 80 HB2 CYS 15 HB2 CYS 15 -1.007 -0.299 -27.790 81 HB3 CYS 15 HB3 CYS 15 -1.575 0.320 -26.248 82 H LYS 16 H LYS 16 -0.028 3.490 -26.208 83 HA LYS 16 HA LYS 16 -2.484 4.439 -24.905 84 HB2 LYS 16 HB2 LYS 16 0.394 5.069 -24.225 85 HB3 LYS 16 HB3 LYS 16 -1.015 5.430 -23.245 86 HG2 LYS 16 HG2 LYS 16 -0.042 2.667 -23.932 87 HG3 LYS 16 HG3 LYS 16 0.275 3.510 -22.414 88 HD2 LYS 16 HD2 LYS 16 -2.504 2.997 -23.427 89 HD3 LYS 16 HD3 LYS 16 -1.628 1.810 -22.469 90 HE2 LYS 16 HE2 LYS 16 -2.955 2.980 -20.922 91 HE3 LYS 16 HE3 LYS 16 -1.344 3.658 -20.732 92 HZ1 LYS 16 HZ1 LYS 16 -3.214 5.290 -20.789 93 HZ2 LYS 16 HZ2 LYS 16 -3.434 4.917 -22.423 94 HZ3 LYS 16 HZ3 LYS 16 -1.978 5.598 -21.892 95 H GLN 17 H GLN 17 -1.093 5.156 -27.635 96 HA GLN 17 HA GLN 17 -0.584 7.978 -27.207 97 HB2 GLN 17 HB2 GLN 17 -0.442 6.475 -29.811 98 HB3 GLN 17 HB3 GLN 17 0.266 8.035 -29.435 99 HG2 GLN 17 HG2 GLN 17 1.118 5.319 -28.542 100 HG3 GLN 17 HG3 GLN 17 2.051 6.532 -29.413 101 HE21 GLN 17 HE21 GLN 17 1.185 5.289 -26.376 102 HE22 GLN 17 HE22 GLN 17 2.051 6.417 -25.411 103 H THR 18 H THR 18 -1.524 9.578 -28.593 104 HA THR 18 HA THR 18 -4.138 8.931 -29.725 105 HB THR 18 HB THR 18 -5.001 11.070 -28.525 106 HG1 THR 18 HG1 THR 18 -3.021 11.696 -27.606 107 HG21 THR 18 HG21 THR 18 -4.548 8.516 -26.970 108 HG22 THR 18 HG22 THR 18 -5.880 8.825 -28.085 109 HG23 THR 18 HG23 THR 18 -5.750 9.748 -26.588 110 HA PRO 19 HA PRO 19 -4.787 8.925 -31.633 111 HB2 PRO 19 HB2 PRO 19 -3.736 8.486 -34.109 112 HB3 PRO 19 HB3 PRO 19 -5.040 9.634 -33.783 113 HG2 PRO 19 HG2 PRO 19 -2.114 10.143 -34.134 114 HG3 PRO 19 HG3 PRO 19 -3.493 11.064 -34.760 115 HD2 PRO 19 HD2 PRO 19 -2.092 11.851 -32.591 116 HD3 PRO 19 HD3 PRO 19 -3.831 12.158 -32.763 117 H CYS 20 H CYS 20 -4.296 6.706 -32.068 118 HA CYS 20 HA CYS 20 -2.134 5.799 -30.537 119 HB2 CYS 20 HB2 CYS 20 -4.351 4.670 -30.945 120 HB3 CYS 20 HB3 CYS 20 -3.689 4.144 -32.489 121 H GLY 21 H GLY 21 -0.380 4.376 -31.175 122 HA2 GLY 21 HA2 GLY 21 0.745 5.294 -33.737 123 HA3 GLY 21 HA3 GLY 21 1.685 4.835 -32.330 124 H CYS 22 H CYS 22 -0.816 2.621 -32.751 125 HA CYS 22 HA CYS 22 1.043 0.641 -33.655 126 HB2 CYS 22 HB2 CYS 22 -1.882 0.547 -32.969 127 HB3 CYS 22 HB3 CYS 22 -1.070 -0.842 -33.683 128 H GLY 23 H GLY 23 -2.201 1.314 -34.978 129 HA2 GLY 23 HA2 GLY 23 -2.910 1.594 -37.149 130 HA3 GLY 23 HA3 GLY 23 -1.230 1.809 -37.617 131 H SER 24 H SER 24 0.018 -0.010 -38.142 132 HA SER 24 HA SER 24 -1.566 -2.422 -38.740 133 HB2 SER 24 HB2 SER 24 0.861 -1.422 -40.245 134 HB3 SER 24 HB3 SER 24 -0.177 -2.774 -40.693 135 HG SER 24 HG SER 24 -1.295 -0.225 -40.345 136 H GLY 25 H GLY 25 0.711 -1.246 -36.704 137 HA2 GLY 25 HA2 GLY 25 2.096 -3.844 -36.500 138 HA3 GLY 25 HA3 GLY 25 2.886 -2.308 -36.161 139 H CYS 26 H CYS 26 0.735 -4.732 -34.997 140 HA CYS 26 HA CYS 26 0.320 -3.243 -32.511 141 HB2 CYS 26 HB2 CYS 26 -1.083 -5.690 -33.553 142 HB3 CYS 26 HB3 CYS 26 -1.492 -4.809 -32.083 143 H ASN 27 H ASN 27 1.448 -3.773 -30.808 144 HA ASN 27 HA ASN 27 2.549 -6.492 -30.621 145 HB2 ASN 27 HB2 ASN 27 3.477 -3.894 -29.372 146 HB3 ASN 27 HB3 ASN 27 4.108 -5.469 -28.899 147 HD21 ASN 27 HD21 ASN 27 5.462 -3.180 -30.122 148 HD22 ASN 27 HD22 ASN 27 6.156 -3.775 -31.590 149 H CYS 28 H CYS 28 -0.088 -5.032 -29.835 150 HA CYS 28 HA CYS 28 -0.215 -5.725 -27.018 151 HB2 CYS 28 HB2 CYS 28 -2.556 -4.752 -27.244 152 HB3 CYS 28 HB3 CYS 28 -1.223 -3.632 -27.488 153 H LYS 29 H LYS 29 -2.480 -6.766 -26.443 154 HA LYS 29 HA LYS 29 -2.411 -9.383 -27.604 155 HB2 LYS 29 HB2 LYS 29 -3.938 -8.097 -25.397 156 HB3 LYS 29 HB3 LYS 29 -4.575 -9.574 -26.088 157 HG2 LYS 29 HG2 LYS 29 -3.249 -10.025 -24.109 158 HG3 LYS 29 HG3 LYS 29 -2.503 -10.740 -25.538 159 HD2 LYS 29 HD2 LYS 29 -1.032 -8.707 -25.641 160 HD3 LYS 29 HD3 LYS 29 -1.685 -8.251 -24.064 161 HE2 LYS 29 HE2 LYS 29 0.338 -9.406 -23.656 162 HE3 LYS 29 HE3 LYS 29 -0.995 -10.492 -23.245 163 HZ1 LYS 29 HZ1 LYS 29 -0.713 -11.635 -25.312 164 HZ2 LYS 29 HZ2 LYS 29 0.775 -11.595 -24.516 165 HZ3 LYS 29 HZ3 LYS 29 0.482 -10.552 -25.813 166 H GLU 30 H GLU 30 -4.549 -10.470 -28.078 167 HA GLU 30 HA GLU 30 -5.791 -8.978 -30.255 168 HB2 GLU 30 HB2 GLU 30 -6.831 -11.105 -30.896 169 HB3 GLU 30 HB3 GLU 30 -5.099 -11.295 -30.677 170 HG2 GLU 30 HG2 GLU 30 -5.542 -12.257 -28.434 171 HG3 GLU 30 HG3 GLU 30 -7.265 -12.151 -28.767 172 H ASP 31 H ASP 31 -6.266 -8.915 -27.152 173 HA ASP 31 HA ASP 31 -9.186 -9.126 -27.089 174 HB2 ASP 31 HB2 ASP 31 -7.745 -10.109 -25.263 175 HB3 ASP 31 HB3 ASP 31 -7.256 -8.476 -24.841 176 H CYS 32 H CYS 32 -6.966 -6.906 -27.958 177 HA CYS 32 HA CYS 32 -7.567 -4.537 -26.624 178 HB2 CYS 32 HB2 CYS 32 -5.605 -4.845 -28.058 179 HB3 CYS 32 HB3 CYS 32 -6.646 -4.939 -29.473 180 H ARG 33 H ARG 33 -9.008 -2.874 -26.968 181 HA ARG 33 HA ARG 33 -11.185 -3.400 -28.890 182 HB2 ARG 33 HB2 ARG 33 -11.686 -3.566 -26.357 183 HB3 ARG 33 HB3 ARG 33 -11.500 -1.821 -26.334 184 HG2 ARG 33 HG2 ARG 33 -13.828 -2.285 -26.488 185 HG3 ARG 33 HG3 ARG 33 -13.310 -1.696 -28.072 186 HD2 ARG 33 HD2 ARG 33 -13.098 -4.030 -28.827 187 HD3 ARG 33 HD3 ARG 33 -13.710 -4.568 -27.269 188 HE ARG 33 HE ARG 33 -15.645 -2.912 -28.178 189 HH11 ARG 33 HH11 ARG 33 -13.966 -5.689 -29.506 190 HH12 ARG 33 HH12 ARG 33 -15.302 -6.206 -30.476 191 HH21 ARG 33 HH21 ARG 33 -17.437 -3.596 -29.480 192 HH22 ARG 33 HH22 ARG 33 -17.281 -5.016 -30.456 193 H CYS 34 H CYS 34 -8.595 -1.720 -28.917 194 HA CYS 34 HA CYS 34 -9.455 1.013 -28.927 195 HB2 CYS 34 HB2 CYS 34 -7.063 0.043 -28.505 196 HB3 CYS 34 HB3 CYS 34 -6.944 0.038 -30.262 197 H GLN 35 H GLN 35 -10.347 2.122 -30.557 198 HA GLN 35 HA GLN 35 -11.221 0.865 -32.931 199 HB2 GLN 35 HB2 GLN 35 -10.960 3.822 -32.326 200 HB3 GLN 35 HB3 GLN 35 -11.867 3.144 -33.664 201 HG2 GLN 35 HG2 GLN 35 -12.474 2.635 -30.761 202 HG3 GLN 35 HG3 GLN 35 -13.263 3.857 -31.754 203 HE21 GLN 35 HE21 GLN 35 -12.894 0.472 -31.134 204 HE22 GLN 35 HE22 GLN 35 -14.267 -0.052 -32.039 205 H SER 36 H SER 36 -8.364 2.591 -32.120 206 HA SER 36 HA SER 36 -7.526 3.462 -34.628 207 HB2 SER 36 HB2 SER 36 -5.712 2.638 -32.385 208 HB3 SER 36 HB3 SER 36 -5.459 3.891 -33.599 209 HG SER 36 HG SER 36 -6.570 4.135 -31.204 210 H CYS 37 H CYS 37 -6.774 0.447 -32.895 211 HA CYS 37 HA CYS 37 -5.519 -0.545 -35.368 212 HB2 CYS 37 HB2 CYS 37 -4.051 -1.883 -33.788 213 HB3 CYS 37 HB3 CYS 37 -3.751 -0.148 -33.875 214 H LYS 38 H LYS 38 -8.265 -0.861 -34.304 215 HA LYS 38 HA LYS 38 -8.579 -3.504 -33.316 216 HB2 LYS 38 HB2 LYS 38 -10.261 -1.582 -33.279 217 HB3 LYS 38 HB3 LYS 38 -10.630 -2.031 -34.941 218 HG2 LYS 38 HG2 LYS 38 -10.699 -4.401 -33.435 219 HG3 LYS 38 HG3 LYS 38 -11.573 -3.179 -32.508 220 HD2 LYS 38 HD2 LYS 38 -12.049 -3.831 -35.410 221 HD3 LYS 38 HD3 LYS 38 -13.017 -4.426 -34.061 222 HE2 LYS 38 HE2 LYS 38 -13.637 -2.143 -33.473 223 HE3 LYS 38 HE3 LYS 38 -12.618 -1.514 -34.763 224 HZ1 LYS 38 HZ1 LYS 38 -14.968 -3.275 -35.183 225 HZ2 LYS 38 HZ2 LYS 38 -14.053 -2.521 -36.394 226 HZ3 LYS 38 HZ3 LYS 38 -14.987 -1.597 -35.335 227 H TYR 39 H TYR 39 -7.693 -2.330 -36.325 228 HA TYR 39 HA TYR 39 -8.321 -4.888 -37.617 229 HB2 TYR 39 HB2 TYR 39 -7.876 -2.193 -38.937 230 HB3 TYR 39 HB3 TYR 39 -8.249 -3.701 -39.770 231 HD1 TYR 39 HD1 TYR 39 -9.611 -0.817 -38.154 232 HD2 TYR 39 HD2 TYR 39 -10.465 -4.847 -39.212 233 HE1 TYR 39 HE1 TYR 39 -12.009 -0.385 -37.844 234 HE2 TYR 39 HE2 TYR 39 -12.867 -4.423 -38.914 235 HH TYR 39 HH TYR 39 -14.185 -1.348 -38.655 236 H GLY 40 H GLY 40 -6.623 -5.561 -39.235 237 HA2 GLY 40 HA2 GLY 40 -4.142 -5.523 -37.746 238 HA3 GLY 40 HA3 GLY 40 -4.508 -6.526 -39.135 239 H ALA 41 H ALA 41 -5.281 -3.507 -40.048 240 HA ALA 41 HA ALA 41 -2.678 -2.441 -40.597 241 HB1 ALA 41 HB1 ALA 41 -4.210 -3.710 -42.866 242 HB2 ALA 41 HB2 ALA 41 -2.668 -4.262 -42.209 243 HB3 ALA 41 HB3 ALA 41 -2.770 -2.710 -43.039 244 H GLY 42 H GLY 42 -5.478 -1.740 -39.644 245 HA2 GLY 42 HA2 GLY 42 -7.053 -0.063 -39.900 246 HA3 GLY 42 HA3 GLY 42 -5.736 0.851 -40.633 247 H CYS 43 H CYS 43 -7.392 -2.088 -41.655 248 HA CYS 43 HA CYS 43 -7.633 -0.960 -44.329 249 HB2 CYS 43 HB2 CYS 43 -6.617 -3.299 -43.626 250 HB3 CYS 43 HB3 CYS 43 -8.300 -3.796 -43.653 251 H THR 44 H THR 44 -9.692 -2.064 -45.490 252 HA THR 44 HA THR 44 -11.950 -0.798 -44.348 253 HB THR 44 HB THR 44 -13.079 -2.198 -46.301 254 HG1 THR 44 HG1 THR 44 -11.662 -3.195 -47.578 255 HG21 THR 44 HG21 THR 44 -11.121 0.055 -46.793 256 HG22 THR 44 HG22 THR 44 -12.794 0.245 -46.272 257 HG23 THR 44 HG23 THR 44 -12.437 -0.419 -47.867 258 H ASP 45 H ASP 45 -13.787 -1.663 -43.420 259 HA ASP 45 HA ASP 45 -13.392 -4.105 -41.962 260 HB2 ASP 45 HB2 ASP 45 -15.381 -3.567 -40.786 261 HB3 ASP 45 HB3 ASP 45 -14.596 -2.026 -41.111 262 H VAL 46 H VAL 46 -15.142 -3.167 -44.816 263 HA VAL 46 HA VAL 46 -16.788 -5.473 -45.021 264 HB VAL 46 HB VAL 46 -15.749 -3.729 -47.277 265 HG11 VAL 46 HG11 VAL 46 -16.729 -5.836 -48.053 266 HG12 VAL 46 HG12 VAL 46 -17.750 -4.465 -48.481 267 HG13 VAL 46 HG13 VAL 46 -18.190 -5.501 -47.124 268 HG21 VAL 46 HG21 VAL 46 -17.801 -2.444 -47.023 269 HG22 VAL 46 HG22 VAL 46 -16.861 -2.417 -45.524 270 HG23 VAL 46 HG23 VAL 46 -18.277 -3.454 -45.659 271 H CYS 47 H CYS 47 -13.493 -4.854 -45.535 272 HA CYS 47 HA CYS 47 -12.961 -7.130 -47.213 273 HB2 CYS 47 HB2 CYS 47 -11.585 -5.147 -47.427 274 HB3 CYS 47 HB3 CYS 47 -11.179 -5.204 -45.717 275 H LYS 48 H LYS 48 -13.075 -6.355 -43.856 276 HA LYS 48 HA LYS 48 -11.720 -8.806 -43.115 277 HB2 LYS 48 HB2 LYS 48 -12.872 -6.621 -41.371 278 HB3 LYS 48 HB3 LYS 48 -11.823 -7.934 -40.842 279 HG2 LYS 48 HG2 LYS 48 -11.057 -5.772 -42.801 280 HG3 LYS 48 HG3 LYS 48 -10.598 -5.817 -41.100 281 HD2 LYS 48 HD2 LYS 48 -9.300 -7.808 -41.437 282 HD3 LYS 48 HD3 LYS 48 -9.928 -7.995 -43.073 283 HE2 LYS 48 HE2 LYS 48 -8.789 -5.936 -43.736 284 HE3 LYS 48 HE3 LYS 48 -8.149 -5.767 -42.099 285 HZ1 LYS 48 HZ1 LYS 48 -7.026 -7.905 -42.390 286 HZ2 LYS 48 HZ2 LYS 48 -6.514 -6.776 -43.541 287 HZ3 LYS 48 HZ3 LYS 48 -7.598 -7.995 -43.975 288 H GLN 49 H GLN 49 -14.363 -8.724 -44.462 289 HA GLN 49 HA GLN 49 -16.181 -9.827 -42.467 290 HB2 GLN 49 HB2 GLN 49 -16.516 -9.424 -45.447 291 HB3 GLN 49 HB3 GLN 49 -17.760 -10.038 -44.374 292 HG2 GLN 49 HG2 GLN 49 -17.696 -7.893 -43.158 293 HG3 GLN 49 HG3 GLN 49 -16.528 -7.302 -44.336 294 HE21 GLN 49 HE21 GLN 49 -19.216 -6.340 -43.719 295 HE22 GLN 49 HE22 GLN 49 -20.101 -6.394 -45.203 296 H THR 50 H THR 50 -17.402 -11.847 -43.317 297 HA THR 50 HA THR 50 -15.799 -13.702 -44.841 298 HB THR 50 HB THR 50 -16.550 -14.351 -41.972 299 HG1 THR 50 HG1 THR 50 -14.343 -13.187 -43.077 300 HG21 THR 50 HG21 THR 50 -14.995 -15.946 -44.022 301 HG22 THR 50 HG22 THR 50 -16.641 -16.288 -43.492 302 HG23 THR 50 HG23 THR 50 -15.302 -16.427 -42.352 303 HA PRO 51 HA PRO 51 -16.220 -14.669 -46.559 304 HB2 PRO 51 HB2 PRO 51 -17.589 -14.176 -48.845 305 HB3 PRO 51 HB3 PRO 51 -17.532 -15.777 -48.098 306 HG2 PRO 51 HG2 PRO 51 -19.670 -13.687 -47.932 307 HG3 PRO 51 HG3 PRO 51 -19.834 -15.436 -48.182 308 HD2 PRO 51 HD2 PRO 51 -20.225 -14.282 -45.770 309 HD3 PRO 51 HD3 PRO 51 -19.542 -15.910 -45.942 310 H CYS 52 H CYS 52 -15.066 -13.104 -47.677 311 HA CYS 52 HA CYS 52 -15.526 -10.425 -46.853 312 HB2 CYS 52 HB2 CYS 52 -13.256 -11.354 -47.102 313 HB3 CYS 52 HB3 CYS 52 -13.542 -11.546 -48.824 314 H GLY 53 H GLY 53 -16.453 -8.785 -47.921 315 HA2 GLY 53 HA2 GLY 53 -17.231 -9.270 -50.728 316 HA3 GLY 53 HA3 GLY 53 -18.285 -8.459 -49.576 317 H CYS 54 H CYS 54 -14.848 -7.977 -49.690 318 HA CYS 54 HA CYS 54 -15.056 -5.189 -49.695 319 HB2 CYS 54 HB2 CYS 54 -13.107 -6.690 -48.980 320 HB3 CYS 54 HB3 CYS 54 -12.643 -6.666 -50.676 321 H ALA 55 H ALA 55 -14.312 -7.436 -52.329 322 HA ALA 55 HA ALA 55 -13.896 -5.453 -54.297 323 HB1 ALA 55 HB1 ALA 55 -13.113 -7.766 -54.538 324 HB2 ALA 55 HB2 ALA 55 -14.106 -7.272 -55.908 325 HB3 ALA 55 HB3 ALA 55 -14.785 -8.315 -54.658 326 H THR 56 H THR 56 -16.698 -6.598 -52.792 327 HA THR 56 HA THR 56 -18.480 -5.902 -54.959 328 HB THR 56 HB THR 56 -19.221 -6.712 -52.150 329 HG1 THR 56 HG1 THR 56 -18.396 -8.261 -54.382 330 HG21 THR 56 HG21 THR 56 -21.042 -5.813 -53.510 331 HG22 THR 56 HG22 THR 56 -21.260 -7.547 -53.271 332 HG23 THR 56 HG23 THR 56 -20.646 -6.939 -54.808 333 H SER 57 H SER 57 -17.592 -4.755 -51.702 334 HA SER 57 HA SER 57 -18.782 -2.181 -52.404 335 HB2 SER 57 HB2 SER 57 -20.313 -3.691 -50.924 336 HB3 SER 57 HB3 SER 57 -19.194 -3.264 -49.635 337 HG SER 57 HG SER 57 -20.865 -1.578 -51.165 338 H GLY 58 H GLY 58 -16.313 -2.027 -52.712 339 HA2 GLY 58 HA2 GLY 58 -15.297 -0.079 -51.211 340 HA3 GLY 58 HA3 GLY 58 -14.941 -1.471 -50.201 341 H CYS 59 H CYS 59 -13.189 -2.619 -50.593 342 HA CYS 59 HA CYS 59 -11.216 -3.273 -51.401 343 HB2 CYS 59 HB2 CYS 59 -12.910 -3.663 -53.456 344 HB3 CYS 59 HB3 CYS 59 -11.794 -2.529 -54.209 345 H ASN 60 H ASN 60 -10.948 -1.010 -50.241 346 HA ASN 60 HA ASN 60 -9.783 1.037 -51.936 347 HB2 ASN 60 HB2 ASN 60 -11.039 1.625 -49.871 348 HB3 ASN 60 HB3 ASN 60 -9.820 0.794 -48.912 349 HD21 ASN 60 HD21 ASN 60 -9.149 2.560 -47.778 350 HD22 ASN 60 HD22 ASN 60 -8.325 3.900 -48.493 351 H CYS 61 H CYS 61 -8.800 -1.828 -50.527 352 HA CYS 61 HA CYS 61 -6.072 -1.142 -49.969 353 HB2 CYS 61 HB2 CYS 61 -5.906 -3.659 -49.718 354 HB3 CYS 61 HB3 CYS 61 -7.034 -2.842 -48.636 355 H THR 62 H THR 62 -4.354 -2.602 -50.997 356 HA THR 62 HA THR 62 -4.699 -2.484 -53.898 357 HB THR 62 HB THR 62 -2.198 -2.735 -53.931 358 HG1 THR 62 HG1 THR 62 -1.255 -2.200 -51.752 359 HG21 THR 62 HG21 THR 62 -3.236 -0.518 -54.063 360 HG22 THR 62 HG22 THR 62 -1.727 -0.452 -53.152 361 HG23 THR 62 HG23 THR 62 -3.272 -0.425 -52.302 362 H ASP 63 H ASP 63 -3.303 -4.254 -55.038 363 HA ASP 63 HA ASP 63 -4.411 -6.793 -54.320 364 HB2 ASP 63 HB2 ASP 63 -3.996 -5.981 -56.676 365 HB3 ASP 63 HB3 ASP 63 -2.285 -6.224 -56.407 366 H ASP 64 H ASP 64 -1.964 -5.133 -53.018 367 HA ASP 64 HA ASP 64 -0.031 -7.233 -52.625 368 HB2 ASP 64 HB2 ASP 64 0.668 -4.857 -52.695 369 HB3 ASP 64 HB3 ASP 64 -0.327 -4.522 -51.288 370 H CYS 65 H CYS 65 -2.960 -6.207 -51.248 371 HA CYS 65 HA CYS 65 -2.694 -6.906 -48.551 372 HB2 CYS 65 HB2 CYS 65 -4.634 -5.694 -49.817 373 HB3 CYS 65 HB3 CYS 65 -5.238 -7.322 -50.108 374 H LYS 66 H LYS 66 -2.902 -8.830 -47.470 375 HA LYS 66 HA LYS 66 -2.456 -11.231 -49.001 376 HB2 LYS 66 HB2 LYS 66 -2.672 -10.721 -46.042 377 HB3 LYS 66 HB3 LYS 66 -2.333 -12.299 -46.739 378 HG2 LYS 66 HG2 LYS 66 -0.297 -11.502 -47.697 379 HG3 LYS 66 HG3 LYS 66 -0.660 -9.851 -47.190 380 HD2 LYS 66 HD2 LYS 66 -0.539 -10.523 -44.862 381 HD3 LYS 66 HD3 LYS 66 -0.230 -12.193 -45.347 382 HE2 LYS 66 HE2 LYS 66 1.824 -10.943 -44.712 383 HE3 LYS 66 HE3 LYS 66 1.858 -11.577 -46.356 384 HZ1 LYS 66 HZ1 LYS 66 2.686 -9.303 -46.240 385 HZ2 LYS 66 HZ2 LYS 66 1.203 -8.767 -45.622 386 HZ3 LYS 66 HZ3 LYS 66 1.291 -9.389 -47.188 387 H CYS 67 H CYS 67 -5.011 -10.055 -49.400 388 HA CYS 67 HA CYS 67 -6.693 -12.147 -48.254 389 HB2 CYS 67 HB2 CYS 67 -7.164 -9.715 -47.599 390 HB3 CYS 67 HB3 CYS 67 -7.724 -9.511 -49.257 391 H GLN 68 H GLN 68 -7.172 -13.622 -49.640 392 HA GLN 68 HA GLN 68 -6.803 -13.182 -52.466 393 HB2 GLN 68 HB2 GLN 68 -7.712 -15.691 -51.046 394 HB3 GLN 68 HB3 GLN 68 -7.099 -15.576 -52.686 395 HG2 GLN 68 HG2 GLN 68 -5.319 -16.448 -51.429 396 HG3 GLN 68 HG3 GLN 68 -4.932 -14.744 -51.656 397 HE21 GLN 68 HE21 GLN 68 -3.562 -14.749 -49.885 398 HE22 GLN 68 HE22 GLN 68 -4.160 -14.755 -48.264 399 H SER 69 H SER 69 -9.297 -12.533 -50.492 400 HA SER 69 HA SER 69 -11.455 -13.692 -51.960 401 HB2 SER 69 HB2 SER 69 -11.589 -11.388 -50.024 402 HB3 SER 69 HB3 SER 69 -12.873 -12.518 -50.457 403 HG SER 69 HG SER 69 -11.007 -12.742 -48.545 404 H CYS 70 H CYS 70 -10.269 -10.347 -51.566 405 HA CYS 70 HA CYS 70 -11.882 -9.536 -53.856 406 HB2 CYS 70 HB2 CYS 70 -11.013 -7.222 -53.088 407 HB3 CYS 70 HB3 CYS 70 -12.235 -8.057 -52.131 408 H SER 71 H SER 71 -8.514 -9.759 -52.841 409 HA SER 71 HA SER 71 -7.480 -8.407 -55.134 410 HB2 SER 71 HB2 SER 71 -6.025 -10.317 -53.290 411 HB3 SER 71 HB3 SER 71 -5.307 -9.079 -54.322 412 HG SER 71 HG SER 71 -6.381 -8.860 -51.832 413 H THR 72 H THR 72 -5.883 -9.591 -56.621 414 HA THR 72 HA THR 72 -7.357 -11.715 -57.878 415 HB THR 72 HB THR 72 -5.500 -11.678 -59.562 416 HG1 THR 72 HG1 THR 72 -4.534 -9.636 -57.808 417 HG21 THR 72 HG21 THR 72 -6.756 -9.008 -58.911 418 HG22 THR 72 HG22 THR 72 -7.494 -10.295 -59.867 419 HG23 THR 72 HG23 THR 72 -6.058 -9.462 -60.467 420 H ALA 73 H ALA 73 -6.782 -13.829 -58.117 421 HA ALA 73 HA ALA 73 -5.001 -14.878 -56.074 422 HB1 ALA 73 HB1 ALA 73 -7.191 -15.879 -56.262 423 HB2 ALA 73 HB2 ALA 73 -5.969 -17.062 -56.737 424 HB3 ALA 73 HB3 ALA 73 -6.917 -16.231 -57.967 425 H CYS 74 H CYS 74 -3.524 -16.650 -56.625 426 HA CYS 74 HA CYS 74 -1.718 -15.996 -58.662 427 HB2 CYS 74 HB2 CYS 74 -1.423 -17.433 -56.482 428 HB3 CYS 74 HB3 CYS 74 -1.910 -18.764 -57.521 429 H LYS 75 H LYS 75 -1.265 -17.131 -60.644 430 HA LYS 75 HA LYS 75 -3.697 -18.219 -61.851 431 HB2 LYS 75 HB2 LYS 75 -1.139 -17.181 -63.069 432 HB3 LYS 75 HB3 LYS 75 -2.446 -17.887 -64.008 433 HG2 LYS 75 HG2 LYS 75 -2.947 -15.589 -62.162 434 HG3 LYS 75 HG3 LYS 75 -2.330 -15.333 -63.794 435 HD2 LYS 75 HD2 LYS 75 -4.722 -17.068 -63.408 436 HD3 LYS 75 HD3 LYS 75 -4.914 -15.316 -63.305 437 HE2 LYS 75 HE2 LYS 75 -3.669 -16.793 -65.622 438 HE3 LYS 75 HE3 LYS 75 -5.328 -16.202 -65.575 439 HZ1 LYS 75 HZ1 LYS 75 -2.883 -14.519 -65.398 440 HZ2 LYS 75 HZ2 LYS 75 -4.471 -13.946 -65.328 441 HZ3 LYS 75 HZ3 LYS 75 -3.897 -14.664 -66.745 442 H CYS 76 H CYS 76 -1.642 -19.591 -60.112 443 HA CYS 76 HA CYS 76 -0.832 -21.755 -61.894 444 HB2 CYS 76 HB2 CYS 76 -0.139 -21.255 -59.004 445 HB3 CYS 76 HB3 CYS 76 0.562 -22.479 -60.061 446 H ALA 77 H ALA 77 -1.164 -23.958 -61.122 447 HA ALA 77 HA ALA 77 -3.618 -24.265 -59.532 448 HB1 ALA 77 HB1 ALA 77 -4.063 -26.293 -60.838 449 HB2 ALA 77 HB2 ALA 77 -2.599 -26.004 -61.780 450 HB3 ALA 77 HB3 ALA 77 -3.948 -24.873 -61.880 451 H ALA 78 H ALA 78 -3.693 -26.653 -58.663 452 HA ALA 78 HA ALA 78 -1.738 -26.882 -56.704 453 HB1 ALA 78 HB1 ALA 78 -2.668 -29.077 -56.220 454 HB2 ALA 78 HB2 ALA 78 -3.511 -29.072 -57.769 455 HB3 ALA 78 HB3 ALA 78 -3.944 -27.901 -56.525 456 H GLY 79 H GLY 79 -1.715 -28.136 -59.956 457 HA2 GLY 79 HA2 GLY 79 0.927 -29.312 -59.380 458 HA3 GLY 79 HA3 GLY 79 -0.236 -30.127 -60.416 459 H SER 80 H SER 80 0.464 -26.662 -60.324 460 HA SER 80 HA SER 80 2.107 -26.736 -62.660 461 HB2 SER 80 HB2 SER 80 -0.113 -27.064 -63.691 462 HB3 SER 80 HB3 SER 80 -0.686 -25.591 -62.911 463 HG SER 80 HG SER 80 0.773 -25.906 -65.179 464 H CYS 81 H CYS 81 3.432 -25.072 -62.529 465 HA CYS 81 HA CYS 81 2.554 -22.665 -61.093 466 HB2 CYS 81 HB2 CYS 81 3.945 -23.954 -59.589 467 HB3 CYS 81 HB3 CYS 81 5.192 -24.116 -60.812 468 H LYS 82 H LYS 82 3.278 -20.698 -61.928 469 HA LYS 82 HA LYS 82 4.698 -20.894 -64.518 470 HB2 LYS 82 HB2 LYS 82 2.516 -19.051 -63.610 471 HB3 LYS 82 HB3 LYS 82 3.595 -18.589 -64.914 472 HG2 LYS 82 HG2 LYS 82 1.643 -19.496 -65.891 473 HG3 LYS 82 HG3 LYS 82 2.926 -20.683 -66.084 474 HD2 LYS 82 HD2 LYS 82 2.086 -21.951 -64.229 475 HD3 LYS 82 HD3 LYS 82 0.834 -20.737 -63.944 476 HE2 LYS 82 HE2 LYS 82 -0.057 -21.159 -66.204 477 HE3 LYS 82 HE3 LYS 82 1.154 -22.416 -66.431 478 HZ1 LYS 82 HZ1 LYS 82 0.163 -23.702 -64.693 479 HZ2 LYS 82 HZ2 LYS 82 -1.058 -23.244 -65.769 480 HZ3 LYS 82 HZ3 LYS 82 -0.899 -22.445 -64.296 481 H CYS 83 H CYS 83 4.077 -18.486 -61.988 482 HA CYS 83 HA CYS 83 6.081 -16.709 -62.596 483 HB2 CYS 83 HB2 CYS 83 5.837 -15.950 -60.254 484 HB3 CYS 83 HB3 CYS 83 4.285 -16.234 -61.039 485 H GLY 84 H GLY 84 6.290 -19.701 -60.767 486 HA2 GLY 84 HA2 GLY 84 8.258 -20.966 -60.543 487 HA3 GLY 84 HA3 GLY 84 9.198 -19.535 -60.938 488 H LYS 85 H LYS 85 6.836 -18.786 -58.692 489 HA LYS 85 HA LYS 85 8.839 -18.682 -56.603 490 HB2 LYS 85 HB2 LYS 85 5.970 -17.711 -56.644 491 HB3 LYS 85 HB3 LYS 85 7.092 -17.460 -55.315 492 HG2 LYS 85 HG2 LYS 85 7.493 -16.413 -58.119 493 HG3 LYS 85 HG3 LYS 85 6.843 -15.476 -56.776 494 HD2 LYS 85 HD2 LYS 85 8.949 -15.760 -55.549 495 HD3 LYS 85 HD3 LYS 85 9.594 -16.740 -56.866 496 HE2 LYS 85 HE2 LYS 85 10.426 -14.442 -56.970 497 HE3 LYS 85 HE3 LYS 85 9.444 -14.833 -58.376 498 HZ1 LYS 85 HZ1 LYS 85 8.435 -13.350 -56.006 499 HZ2 LYS 85 HZ2 LYS 85 7.628 -13.592 -57.470 500 HZ3 LYS 85 HZ3 LYS 85 9.000 -12.616 -57.418 501 H GLY 86 H GLY 86 6.367 -20.744 -57.646 502 HA2 GLY 86 HA2 GLY 86 5.888 -22.876 -56.910 503 HA3 GLY 86 HA3 GLY 86 6.985 -22.623 -55.565 504 H CYS 87 H CYS 87 4.048 -20.881 -56.519 505 HA CYS 87 HA CYS 87 3.043 -21.296 -53.801 506 HB2 CYS 87 HB2 CYS 87 1.292 -19.594 -55.147 507 HB3 CYS 87 HB3 CYS 87 2.544 -19.142 -53.997 508 H THR 88 H THR 88 2.212 -21.854 -57.150 509 HA THR 88 HA THR 88 0.654 -23.125 -58.176 510 HB THR 88 HB THR 88 0.182 -25.371 -57.088 511 HG1 THR 88 HG1 THR 88 1.130 -24.092 -54.954 512 HG21 THR 88 HG21 THR 88 1.995 -25.051 -58.690 513 HG22 THR 88 HG22 THR 88 2.482 -26.173 -57.421 514 HG23 THR 88 HG23 THR 88 3.062 -24.508 -57.394 515 H GLY 89 H GLY 89 -0.581 -21.023 -56.881 516 HA2 GLY 89 HA2 GLY 89 -3.097 -21.034 -57.179 517 HA3 GLY 89 HA3 GLY 89 -3.084 -22.290 -55.948 518 HA PRO 90 HA PRO 90 -3.332 -17.890 -54.135 519 HB2 PRO 90 HB2 PRO 90 -5.883 -17.956 -53.221 520 HB3 PRO 90 HB3 PRO 90 -5.480 -17.423 -54.858 521 HG2 PRO 90 HG2 PRO 90 -6.452 -20.095 -53.919 522 HG3 PRO 90 HG3 PRO 90 -7.002 -19.142 -55.314 523 HD2 PRO 90 HD2 PRO 90 -5.286 -21.209 -55.570 524 HD3 PRO 90 HD3 PRO 90 -5.181 -19.767 -56.604 525 H ASP 91 H ASP 91 -4.252 -21.073 -53.235 526 HA ASP 91 HA ASP 91 -4.638 -20.867 -50.486 527 HB2 ASP 91 HB2 ASP 91 -5.250 -22.890 -51.536 528 HB3 ASP 91 HB3 ASP 91 -3.658 -23.093 -52.257 529 H SER 92 H SER 92 -1.670 -21.423 -52.339 530 HA SER 92 HA SER 92 -0.171 -21.124 -49.849 531 HB2 SER 92 HB2 SER 92 0.838 -22.253 -52.458 532 HB3 SER 92 HB3 SER 92 1.615 -22.344 -50.876 533 HG SER 92 HG SER 92 -0.841 -23.348 -50.632 534 H CYS 93 H CYS 93 -1.130 -19.302 -52.438 535 HA CYS 93 HA CYS 93 1.326 -17.917 -52.965 536 HB2 CYS 93 HB2 CYS 93 -0.555 -18.033 -54.627 537 HB3 CYS 93 HB3 CYS 93 -1.492 -16.982 -53.574 538 H LYS 94 H LYS 94 2.116 -17.269 -51.054 539 HA LYS 94 HA LYS 94 0.535 -15.444 -49.402 540 HB2 LYS 94 HB2 LYS 94 3.265 -16.654 -48.927 541 HB3 LYS 94 HB3 LYS 94 2.355 -15.693 -47.773 542 HG2 LYS 94 HG2 LYS 94 0.668 -17.385 -47.591 543 HG3 LYS 94 HG3 LYS 94 1.401 -18.317 -48.896 544 HD2 LYS 94 HD2 LYS 94 2.763 -17.687 -46.282 545 HD3 LYS 94 HD3 LYS 94 1.905 -19.190 -46.613 546 HE2 LYS 94 HE2 LYS 94 4.281 -18.154 -48.171 547 HE3 LYS 94 HE3 LYS 94 4.345 -19.393 -46.924 548 HZ1 LYS 94 HZ1 LYS 94 4.300 -20.356 -49.143 549 HZ2 LYS 94 HZ2 LYS 94 2.822 -19.607 -49.472 550 HZ3 LYS 94 HZ3 LYS 94 2.921 -20.790 -48.265 551 H CYS 95 H CYS 95 1.953 -15.112 -52.087 552 HA CYS 95 HA CYS 95 3.938 -13.103 -51.682 553 HB2 CYS 95 HB2 CYS 95 2.416 -13.964 -54.149 554 HB3 CYS 95 HB3 CYS 95 3.819 -12.909 -54.141 555 H ASP 96 H ASP 96 3.129 -11.331 -53.737 556 HA ASP 96 HA ASP 96 0.641 -10.197 -52.781 557 HB2 ASP 96 HB2 ASP 96 1.645 -7.954 -52.575 558 HB3 ASP 96 HB3 ASP 96 2.389 -9.088 -51.466 559 H ARG 97 H ARG 97 1.116 -7.782 -54.282 560 HA ARG 97 HA ARG 97 0.065 -8.644 -56.773 561 HB2 ARG 97 HB2 ARG 97 0.053 -6.263 -57.307 562 HB3 ARG 97 HB3 ARG 97 -0.627 -6.610 -55.720 563 HG2 ARG 97 HG2 ARG 97 1.533 -5.985 -54.704 564 HG3 ARG 97 HG3 ARG 97 2.088 -5.484 -56.306 565 HD2 ARG 97 HD2 ARG 97 0.283 -3.906 -56.462 566 HD3 ARG 97 HD3 ARG 97 -0.345 -4.439 -54.906 567 HE ARG 97 HE ARG 97 2.206 -3.661 -54.377 568 HH11 ARG 97 HH11 ARG 97 -0.587 -2.133 -55.851 569 HH12 ARG 97 HH12 ARG 97 -0.152 -0.543 -55.331 570 HH21 ARG 97 HH21 ARG 97 2.776 -1.563 -53.668 571 HH22 ARG 97 HH22 ARG 97 1.771 -0.213 -54.073 572 H SER 98 H SER 98 3.244 -8.313 -55.668 573 HA SER 98 HA SER 98 4.445 -7.465 -58.131 574 HB2 SER 98 HB2 SER 98 5.779 -8.875 -55.811 575 HB3 SER 98 HB3 SER 98 6.559 -7.894 -57.051 576 HG SER 98 HG SER 98 4.777 -7.072 -55.006 577 H CYS 99 H CYS 99 2.897 -10.204 -57.313 578 HA CYS 99 HA CYS 99 4.525 -12.196 -58.492 579 HB2 CYS 99 HB2 CYS 99 2.322 -12.309 -56.981 580 HB3 CYS 99 HB3 CYS 99 1.566 -12.384 -58.570 581 H SER 100 H SER 100 4.776 -12.677 -60.601 582 HA SER 100 HA SER 100 3.819 -10.806 -62.539 583 HB2 SER 100 HB2 SER 100 5.405 -13.337 -62.875 584 HB3 SER 100 HB3 SER 100 5.173 -12.102 -64.116 585 HG SER 100 HG SER 100 6.022 -10.739 -62.132 586 H CYS 101 H CYS 101 2.299 -13.375 -61.199 587 HA CYS 101 HA CYS 101 1.066 -14.399 -63.596 588 HB2 CYS 101 HB2 CYS 101 0.718 -14.950 -60.677 589 HB3 CYS 101 HB3 CYS 101 -0.369 -15.637 -61.887 590 H LYS 102 H LYS 102 0.400 -11.905 -61.309 591 HA LYS 102 HA LYS 102 -2.414 -11.888 -61.569 592 HB2 LYS 102 HB2 LYS 102 -0.692 -9.489 -60.991 593 HB3 LYS 102 HB3 LYS 102 -2.376 -9.731 -60.559 594 HG2 LYS 102 HG2 LYS 102 0.035 -11.090 -59.395 595 HG3 LYS 102 HG3 LYS 102 -1.079 -9.987 -58.593 596 HD2 LYS 102 HD2 LYS 102 -2.890 -11.722 -58.969 597 HD3 LYS 102 HD3 LYS 102 -1.609 -12.824 -59.490 598 HE2 LYS 102 HE2 LYS 102 -1.922 -13.281 -57.190 599 HE3 LYS 102 HE3 LYS 102 -0.463 -12.290 -57.282 600 HZ1 LYS 102 HZ1 LYS 102 -1.960 -10.323 -56.794 601 HZ2 LYS 102 HZ2 LYS 102 -1.744 -11.421 -55.528 602 HZ3 LYS 102 HZ3 LYS 102 -3.173 -11.450 -56.426 Start of MODEL 5 1 HA2 GLY 1 HA2 GLY 1 10.308 3.892 -9.207 2 HA3 GLY 1 HA3 GLY 1 9.468 4.274 -7.712 3 H SER 2 H SER 2 7.703 2.712 -10.217 4 HA SER 2 HA SER 2 8.119 0.087 -9.014 5 HB2 SER 2 HB2 SER 2 5.592 -0.231 -9.034 6 HB3 SER 2 HB3 SER 2 6.228 0.839 -7.786 7 HG SER 2 HG SER 2 5.786 2.560 -9.409 8 H MET 3 H MET 3 6.376 -1.431 -10.381 9 HA MET 3 HA MET 3 7.501 -1.592 -12.957 10 HB2 MET 3 HB2 MET 3 6.614 -3.565 -11.843 11 HB3 MET 3 HB3 MET 3 4.998 -2.876 -11.853 12 HG2 MET 3 HG2 MET 3 5.057 -2.912 -14.330 13 HG3 MET 3 HG3 MET 3 6.606 -3.746 -14.240 14 HE1 MET 3 HE1 MET 3 6.930 -6.177 -13.255 15 HE2 MET 3 HE2 MET 3 5.628 -7.126 -12.538 16 HE3 MET 3 HE3 MET 3 6.199 -5.666 -11.734 17 H SER 4 H SER 4 4.285 -0.561 -11.869 18 HA SER 4 HA SER 4 2.565 0.460 -12.918 19 HB2 SER 4 HB2 SER 4 3.236 2.557 -14.210 20 HB3 SER 4 HB3 SER 4 3.810 2.445 -12.550 21 HG SER 4 HG SER 4 5.633 1.323 -14.150 22 H SER 5 H SER 5 2.736 -1.794 -14.103 23 HA SER 5 HA SER 5 2.045 -1.227 -16.845 24 HB2 SER 5 HB2 SER 5 4.251 -3.209 -16.215 25 HB3 SER 5 HB3 SER 5 3.543 -2.925 -17.803 26 HG SER 5 HG SER 5 4.295 -0.581 -16.835 27 H VAL 6 H VAL 6 0.065 -2.052 -16.792 28 HA VAL 6 HA VAL 6 -0.434 -4.557 -15.390 29 HB VAL 6 HB VAL 6 -2.374 -2.707 -16.783 30 HG11 VAL 6 HG11 VAL 6 -3.197 -4.981 -16.654 31 HG12 VAL 6 HG12 VAL 6 -4.100 -3.937 -15.553 32 HG13 VAL 6 HG13 VAL 6 -2.863 -5.024 -14.922 33 HG21 VAL 6 HG21 VAL 6 -1.725 -2.982 -13.850 34 HG22 VAL 6 HG22 VAL 6 -3.008 -1.979 -14.527 35 HG23 VAL 6 HG23 VAL 6 -1.321 -1.611 -14.883 36 H PHE 7 H PHE 7 0.324 -6.177 -16.635 37 HA PHE 7 HA PHE 7 -0.013 -6.163 -19.484 38 HB2 PHE 7 HB2 PHE 7 1.082 -8.300 -17.653 39 HB3 PHE 7 HB3 PHE 7 1.109 -8.368 -19.411 40 HD1 PHE 7 HD1 PHE 7 2.808 -7.262 -16.486 41 HD2 PHE 7 HD2 PHE 7 2.335 -6.499 -20.643 42 HE1 PHE 7 HE1 PHE 7 4.931 -6.024 -16.495 43 HE2 PHE 7 HE2 PHE 7 4.460 -5.263 -20.661 44 HZ PHE 7 HZ PHE 7 5.760 -5.024 -18.585 45 H GLY 8 H GLY 8 -2.382 -5.926 -19.107 46 HA2 GLY 8 HA2 GLY 8 -3.714 -8.153 -20.054 47 HA3 GLY 8 HA3 GLY 8 -3.932 -8.158 -18.311 48 H ALA 9 H ALA 9 -4.735 -6.119 -17.371 49 HA ALA 9 HA ALA 9 -7.057 -5.279 -18.895 50 HB1 ALA 9 HB1 ALA 9 -6.282 -4.642 -16.050 51 HB2 ALA 9 HB2 ALA 9 -7.312 -5.979 -16.561 52 HB3 ALA 9 HB3 ALA 9 -7.842 -4.313 -16.802 53 H GLY 10 H GLY 10 -4.082 -4.244 -19.063 54 HA2 GLY 10 HA2 GLY 10 -4.569 -1.387 -18.752 55 HA3 GLY 10 HA3 GLY 10 -3.033 -2.144 -19.162 56 H CYS 11 H CYS 11 -6.304 -1.901 -20.516 57 HA CYS 11 HA CYS 11 -5.260 -2.055 -23.195 58 HB2 CYS 11 HB2 CYS 11 -7.536 -2.948 -22.254 59 HB3 CYS 11 HB3 CYS 11 -8.094 -1.308 -22.566 60 H THR 12 H THR 12 -6.947 -0.232 -24.559 61 HA THR 12 HA THR 12 -5.908 2.340 -23.595 62 HB THR 12 HB THR 12 -4.364 1.575 -25.311 63 HG1 THR 12 HG1 THR 12 -4.555 3.724 -25.454 64 HG21 THR 12 HG21 THR 12 -5.037 1.145 -27.591 65 HG22 THR 12 HG22 THR 12 -6.712 1.524 -27.203 66 HG23 THR 12 HG23 THR 12 -5.953 0.085 -26.517 67 H ASP 13 H ASP 13 -6.980 4.218 -24.357 68 HA ASP 13 HA ASP 13 -9.812 3.969 -24.473 69 HB2 ASP 13 HB2 ASP 13 -8.773 5.882 -23.384 70 HB3 ASP 13 HB3 ASP 13 -8.022 6.370 -24.899 71 H THR 14 H THR 14 -7.290 4.417 -26.823 72 HA THR 14 HA THR 14 -8.815 5.241 -29.033 73 HB THR 14 HB THR 14 -6.392 3.433 -29.098 74 HG1 THR 14 HG1 THR 14 -6.219 6.251 -29.182 75 HG21 THR 14 HG21 THR 14 -5.947 4.828 -31.171 76 HG22 THR 14 HG22 THR 14 -7.612 5.413 -31.005 77 HG23 THR 14 HG23 THR 14 -7.294 3.695 -31.262 78 H CYS 15 H CYS 15 -8.584 2.254 -27.391 79 HA CYS 15 HA CYS 15 -9.499 0.634 -29.584 80 HB2 CYS 15 HB2 CYS 15 -8.045 0.147 -27.342 81 HB3 CYS 15 HB3 CYS 15 -9.638 -0.460 -26.885 82 H LYS 16 H LYS 16 -10.959 2.722 -27.452 83 HA LYS 16 HA LYS 16 -13.347 1.158 -26.947 84 HB2 LYS 16 HB2 LYS 16 -12.874 4.101 -26.452 85 HB3 LYS 16 HB3 LYS 16 -14.142 3.109 -25.756 86 HG2 LYS 16 HG2 LYS 16 -11.214 2.618 -25.234 87 HG3 LYS 16 HG3 LYS 16 -12.200 3.687 -24.239 88 HD2 LYS 16 HD2 LYS 16 -12.285 1.696 -23.072 89 HD3 LYS 16 HD3 LYS 16 -13.761 1.602 -24.039 90 HE2 LYS 16 HE2 LYS 16 -12.790 -0.519 -24.232 91 HE3 LYS 16 HE3 LYS 16 -12.308 0.295 -25.714 92 HZ1 LYS 16 HZ1 LYS 16 -10.147 0.770 -24.696 93 HZ2 LYS 16 HZ2 LYS 16 -10.466 -0.895 -24.722 94 HZ3 LYS 16 HZ3 LYS 16 -10.635 -0.030 -23.285 95 H GLN 17 H GLN 17 -12.266 2.369 -29.686 96 HA GLN 17 HA GLN 17 -14.756 3.657 -30.524 97 HB2 GLN 17 HB2 GLN 17 -12.360 3.212 -32.312 98 HB3 GLN 17 HB3 GLN 17 -13.627 4.409 -32.464 99 HG2 GLN 17 HG2 GLN 17 -11.300 4.365 -30.599 100 HG3 GLN 17 HG3 GLN 17 -11.675 5.562 -31.827 101 HE21 GLN 17 HE21 GLN 17 -11.985 4.629 -28.615 102 HE22 GLN 17 HE22 GLN 17 -12.974 5.920 -28.066 103 H THR 18 H THR 18 -15.621 2.938 -32.677 104 HA THR 18 HA THR 18 -15.071 0.151 -33.327 105 HB THR 18 HB THR 18 -17.614 -0.263 -33.490 106 HG1 THR 18 HG1 THR 18 -17.544 2.207 -32.330 107 HG21 THR 18 HG21 THR 18 -16.337 -0.020 -30.761 108 HG22 THR 18 HG22 THR 18 -16.188 -1.396 -31.853 109 HG23 THR 18 HG23 THR 18 -17.753 -0.996 -31.149 110 HA PRO 19 HA PRO 19 -14.203 -0.676 -34.883 111 HB2 PRO 19 HB2 PRO 19 -12.451 0.505 -36.890 112 HB3 PRO 19 HB3 PRO 19 -13.146 -1.116 -36.832 113 HG2 PRO 19 HG2 PRO 19 -13.939 0.733 -38.649 114 HG3 PRO 19 HG3 PRO 19 -15.029 -0.506 -38.004 115 HD2 PRO 19 HD2 PRO 19 -14.788 2.382 -37.259 116 HD3 PRO 19 HD3 PRO 19 -16.246 1.385 -37.453 117 H CYS 20 H CYS 20 -12.177 -0.667 -33.865 118 HA CYS 20 HA CYS 20 -11.663 1.552 -32.263 119 HB2 CYS 20 HB2 CYS 20 -9.822 0.289 -31.432 120 HB3 CYS 20 HB3 CYS 20 -11.145 -0.829 -31.761 121 H GLY 21 H GLY 21 -9.555 2.710 -32.130 122 HA2 GLY 21 HA2 GLY 21 -8.737 3.523 -34.823 123 HA3 GLY 21 HA3 GLY 21 -8.469 4.427 -33.340 124 H CYS 22 H CYS 22 -7.787 1.110 -33.104 125 HA CYS 22 HA CYS 22 -5.045 1.589 -32.579 126 HB2 CYS 22 HB2 CYS 22 -6.637 -0.936 -32.940 127 HB3 CYS 22 HB3 CYS 22 -4.897 -0.980 -32.678 128 H GLY 23 H GLY 23 -6.516 -0.389 -35.173 129 HA2 GLY 23 HA2 GLY 23 -5.870 -0.734 -37.353 130 HA3 GLY 23 HA3 GLY 23 -4.853 0.694 -37.212 131 H SER 24 H SER 24 -2.721 0.485 -36.629 132 HA SER 24 HA SER 24 -1.706 -2.241 -36.294 133 HB2 SER 24 HB2 SER 24 0.315 -1.432 -37.669 134 HB3 SER 24 HB3 SER 24 -1.168 -1.793 -38.550 135 HG SER 24 HG SER 24 -0.047 0.256 -39.051 136 H GLY 25 H GLY 25 -2.215 0.425 -34.714 137 HA2 GLY 25 HA2 GLY 25 0.392 0.376 -33.325 138 HA3 GLY 25 HA3 GLY 25 -0.518 1.863 -33.561 139 H CYS 26 H CYS 26 -0.854 -1.374 -32.192 140 HA CYS 26 HA CYS 26 -3.047 -0.656 -30.530 141 HB2 CYS 26 HB2 CYS 26 -1.207 -3.032 -30.328 142 HB3 CYS 26 HB3 CYS 26 -2.799 -2.874 -29.590 143 H ASN 27 H ASN 27 -3.075 0.101 -28.534 144 HA ASN 27 HA ASN 27 -0.522 0.351 -27.080 145 HB2 ASN 27 HB2 ASN 27 -3.015 2.053 -27.074 146 HB3 ASN 27 HB3 ASN 27 -1.872 2.114 -25.740 147 HD21 ASN 27 HD21 ASN 27 -0.839 1.603 -29.029 148 HD22 ASN 27 HD22 ASN 27 -0.091 3.141 -29.238 149 H CYS 28 H CYS 28 -2.818 -1.715 -27.322 150 HA CYS 28 HA CYS 28 -3.523 -1.985 -24.510 151 HB2 CYS 28 HB2 CYS 28 -5.040 -3.794 -25.455 152 HB3 CYS 28 HB3 CYS 28 -5.415 -2.133 -25.907 153 H LYS 29 H LYS 29 -3.715 -4.429 -23.901 154 HA LYS 29 HA LYS 29 -1.059 -5.584 -24.308 155 HB2 LYS 29 HB2 LYS 29 -3.142 -5.826 -22.169 156 HB3 LYS 29 HB3 LYS 29 -1.976 -7.118 -22.376 157 HG2 LYS 29 HG2 LYS 29 -1.394 -5.444 -20.624 158 HG3 LYS 29 HG3 LYS 29 -0.151 -5.667 -21.857 159 HD2 LYS 29 HD2 LYS 29 -0.848 -3.616 -22.950 160 HD3 LYS 29 HD3 LYS 29 -2.185 -3.437 -21.812 161 HE2 LYS 29 HE2 LYS 29 -0.567 -3.272 -19.976 162 HE3 LYS 29 HE3 LYS 29 0.752 -3.377 -21.144 163 HZ1 LYS 29 HZ1 LYS 29 0.305 -1.083 -20.535 164 HZ2 LYS 29 HZ2 LYS 29 -1.301 -1.221 -21.037 165 HZ3 LYS 29 HZ3 LYS 29 -0.049 -1.328 -22.167 166 H GLU 30 H GLU 30 -1.167 -8.110 -24.051 167 HA GLU 30 HA GLU 30 -2.579 -9.044 -26.391 168 HB2 GLU 30 HB2 GLU 30 -1.384 -11.153 -25.997 169 HB3 GLU 30 HB3 GLU 30 -0.303 -9.770 -26.004 170 HG2 GLU 30 HG2 GLU 30 -0.436 -9.811 -23.485 171 HG3 GLU 30 HG3 GLU 30 -1.257 -11.363 -23.645 172 H ASP 31 H ASP 31 -3.891 -8.418 -23.676 173 HA ASP 31 HA ASP 31 -5.288 -10.957 -23.207 174 HB2 ASP 31 HB2 ASP 31 -4.291 -9.768 -21.266 175 HB3 ASP 31 HB3 ASP 31 -5.308 -8.378 -21.613 176 H CYS 32 H CYS 32 -5.535 -8.496 -25.216 177 HA CYS 32 HA CYS 32 -8.260 -7.671 -24.855 178 HB2 CYS 32 HB2 CYS 32 -6.425 -6.224 -25.786 179 HB3 CYS 32 HB3 CYS 32 -6.451 -7.222 -27.232 180 H ARG 33 H ARG 33 -9.963 -8.037 -26.372 181 HA ARG 33 HA ARG 33 -9.694 -10.479 -28.010 182 HB2 ARG 33 HB2 ARG 33 -11.893 -9.710 -26.097 183 HB3 ARG 33 HB3 ARG 33 -12.149 -10.875 -27.386 184 HG2 ARG 33 HG2 ARG 33 -10.144 -11.121 -25.158 185 HG3 ARG 33 HG3 ARG 33 -11.689 -11.967 -25.269 186 HD2 ARG 33 HD2 ARG 33 -9.323 -12.237 -27.114 187 HD3 ARG 33 HD3 ARG 33 -9.933 -13.440 -25.985 188 HE ARG 33 HE ARG 33 -12.052 -12.943 -27.632 189 HH11 ARG 33 HH11 ARG 33 -8.728 -13.957 -28.142 190 HH12 ARG 33 HH12 ARG 33 -9.084 -14.857 -29.576 191 HH21 ARG 33 HH21 ARG 33 -12.513 -14.127 -29.559 192 HH22 ARG 33 HH22 ARG 33 -11.235 -14.955 -30.382 193 H CYS 34 H CYS 34 -9.425 -7.830 -28.948 194 HA CYS 34 HA CYS 34 -12.009 -7.154 -30.094 195 HB2 CYS 34 HB2 CYS 34 -10.278 -5.474 -29.081 196 HB3 CYS 34 HB3 CYS 34 -9.468 -5.668 -30.637 197 H GLN 35 H GLN 35 -12.593 -7.863 -31.993 198 HA GLN 35 HA GLN 35 -10.834 -9.339 -33.668 199 HB2 GLN 35 HB2 GLN 35 -13.638 -8.330 -34.184 200 HB3 GLN 35 HB3 GLN 35 -12.779 -9.483 -35.196 201 HG2 GLN 35 HG2 GLN 35 -13.368 -9.961 -32.287 202 HG3 GLN 35 HG3 GLN 35 -14.440 -10.467 -33.591 203 HE21 GLN 35 HE21 GLN 35 -12.787 -11.911 -31.560 204 HE22 GLN 35 HE22 GLN 35 -11.887 -13.073 -32.476 205 H SER 36 H SER 36 -11.540 -6.041 -33.352 206 HA SER 36 HA SER 36 -11.184 -5.165 -35.991 207 HB2 SER 36 HB2 SER 36 -10.601 -3.664 -33.422 208 HB3 SER 36 HB3 SER 36 -10.858 -2.950 -35.013 209 HG SER 36 HG SER 36 -12.969 -3.544 -34.954 210 H CYS 37 H CYS 37 -8.875 -5.350 -33.282 211 HA CYS 37 HA CYS 37 -6.691 -4.984 -35.214 212 HB2 CYS 37 HB2 CYS 37 -5.324 -4.410 -33.209 213 HB3 CYS 37 HB3 CYS 37 -6.683 -3.319 -33.459 214 H LYS 38 H LYS 38 -8.137 -7.439 -34.778 215 HA LYS 38 HA LYS 38 -6.416 -9.141 -33.199 216 HB2 LYS 38 HB2 LYS 38 -8.989 -9.236 -33.428 217 HB3 LYS 38 HB3 LYS 38 -8.679 -10.088 -34.932 218 HG2 LYS 38 HG2 LYS 38 -7.258 -11.116 -32.570 219 HG3 LYS 38 HG3 LYS 38 -9.008 -11.249 -32.514 220 HD2 LYS 38 HD2 LYS 38 -7.179 -12.345 -34.652 221 HD3 LYS 38 HD3 LYS 38 -8.043 -13.276 -33.432 222 HE2 LYS 38 HE2 LYS 38 -10.178 -12.376 -34.430 223 HE3 LYS 38 HE3 LYS 38 -9.199 -11.742 -35.751 224 HZ1 LYS 38 HZ1 LYS 38 -9.449 -14.587 -34.967 225 HZ2 LYS 38 HZ2 LYS 38 -8.430 -14.012 -36.182 226 HZ3 LYS 38 HZ3 LYS 38 -10.105 -13.867 -36.347 227 H TYR 39 H TYR 39 -4.839 -8.186 -34.879 228 HA TYR 39 HA TYR 39 -4.600 -10.000 -37.177 229 HB2 TYR 39 HB2 TYR 39 -2.882 -8.438 -38.040 230 HB3 TYR 39 HB3 TYR 39 -4.432 -7.654 -37.811 231 HD1 TYR 39 HD1 TYR 39 -0.997 -7.963 -36.506 232 HD2 TYR 39 HD2 TYR 39 -4.676 -5.847 -36.242 233 HE1 TYR 39 HE1 TYR 39 0.110 -6.215 -35.177 234 HE2 TYR 39 HE2 TYR 39 -3.579 -4.096 -34.910 235 HH TYR 39 HH TYR 39 -1.616 -3.850 -33.466 236 H GLY 40 H GLY 40 -2.375 -10.717 -37.710 237 HA2 GLY 40 HA2 GLY 40 -0.862 -11.299 -35.248 238 HA3 GLY 40 HA3 GLY 40 -1.087 -12.478 -36.536 239 H ALA 41 H ALA 41 1.344 -11.225 -35.348 240 HA ALA 41 HA ALA 41 3.434 -10.772 -36.036 241 HB1 ALA 41 HB1 ALA 41 2.396 -10.884 -38.863 242 HB2 ALA 41 HB2 ALA 41 2.975 -12.265 -37.934 243 HB3 ALA 41 HB3 ALA 41 4.085 -10.960 -38.355 244 H GLY 42 H GLY 42 1.070 -8.955 -37.928 245 HA2 GLY 42 HA2 GLY 42 1.185 -6.512 -36.985 246 HA3 GLY 42 HA3 GLY 42 2.783 -6.584 -37.709 247 H CYS 43 H CYS 43 -0.640 -7.097 -38.505 248 HA CYS 43 HA CYS 43 -0.075 -5.920 -41.139 249 HB2 CYS 43 HB2 CYS 43 -0.699 -8.455 -41.001 250 HB3 CYS 43 HB3 CYS 43 -2.319 -7.874 -40.653 251 H THR 44 H THR 44 -2.426 -5.166 -42.057 252 HA THR 44 HA THR 44 -3.244 -3.215 -40.073 253 HB THR 44 HB THR 44 -4.569 -2.243 -41.988 254 HG1 THR 44 HG1 THR 44 -3.261 -3.343 -43.995 255 HG21 THR 44 HG21 THR 44 -2.572 -1.360 -43.113 256 HG22 THR 44 HG22 THR 44 -1.598 -2.626 -42.366 257 HG23 THR 44 HG23 THR 44 -2.367 -1.397 -41.362 258 H ASP 45 H ASP 45 -5.414 -2.714 -39.576 259 HA ASP 45 HA ASP 45 -7.049 -4.976 -39.022 260 HB2 ASP 45 HB2 ASP 45 -8.576 -3.366 -38.026 261 HB3 ASP 45 HB3 ASP 45 -6.925 -2.958 -37.571 262 H VAL 46 H VAL 46 -7.016 -2.485 -41.446 263 HA VAL 46 HA VAL 46 -9.596 -2.811 -42.485 264 HB VAL 46 HB VAL 46 -7.080 -1.902 -43.911 265 HG11 VAL 46 HG11 VAL 46 -9.976 -1.527 -44.639 266 HG12 VAL 46 HG12 VAL 46 -8.797 -2.516 -45.502 267 HG13 VAL 46 HG13 VAL 46 -8.610 -0.762 -45.449 268 HG21 VAL 46 HG21 VAL 46 -9.238 -0.340 -42.502 269 HG22 VAL 46 HG22 VAL 46 -7.903 0.358 -43.416 270 HG23 VAL 46 HG23 VAL 46 -7.580 -0.563 -41.939 271 H CYS 47 H CYS 47 -6.641 -4.575 -43.011 272 HA CYS 47 HA CYS 47 -7.627 -6.060 -45.258 273 HB2 CYS 47 HB2 CYS 47 -5.239 -5.624 -44.989 274 HB3 CYS 47 HB3 CYS 47 -5.230 -6.503 -43.466 275 H LYS 48 H LYS 48 -8.116 -6.212 -41.911 276 HA LYS 48 HA LYS 48 -8.635 -9.089 -41.954 277 HB2 LYS 48 HB2 LYS 48 -8.709 -7.250 -39.559 278 HB3 LYS 48 HB3 LYS 48 -8.597 -9.006 -39.563 279 HG2 LYS 48 HG2 LYS 48 -6.479 -7.117 -40.575 280 HG3 LYS 48 HG3 LYS 48 -6.453 -7.937 -39.017 281 HD2 LYS 48 HD2 LYS 48 -6.124 -10.045 -40.010 282 HD3 LYS 48 HD3 LYS 48 -6.656 -9.480 -41.593 283 HE2 LYS 48 HE2 LYS 48 -4.631 -8.017 -41.654 284 HE3 LYS 48 HE3 LYS 48 -4.093 -8.801 -40.168 285 HZ1 LYS 48 HZ1 LYS 48 -4.646 -10.202 -42.726 286 HZ2 LYS 48 HZ2 LYS 48 -4.054 -10.910 -41.311 287 HZ3 LYS 48 HZ3 LYS 48 -3.105 -9.795 -42.161 288 H GLN 49 H GLN 49 -10.314 -6.825 -43.124 289 HA GLN 49 HA GLN 49 -12.791 -6.956 -41.638 290 HB2 GLN 49 HB2 GLN 49 -12.140 -5.844 -44.369 291 HB3 GLN 49 HB3 GLN 49 -13.737 -5.783 -43.651 292 HG2 GLN 49 HG2 GLN 49 -12.800 -4.436 -41.803 293 HG3 GLN 49 HG3 GLN 49 -11.247 -4.445 -42.637 294 HE21 GLN 49 HE21 GLN 49 -11.276 -2.208 -42.845 295 HE22 GLN 49 HE22 GLN 49 -12.276 -1.396 -43.995 296 H THR 50 H THR 50 -14.822 -7.530 -42.980 297 HA THR 50 HA THR 50 -14.454 -9.602 -44.960 298 HB THR 50 HB THR 50 -15.977 -10.227 -42.410 299 HG1 THR 50 HG1 THR 50 -13.369 -10.395 -42.924 300 HG21 THR 50 HG21 THR 50 -15.314 -11.955 -44.805 301 HG22 THR 50 HG22 THR 50 -16.898 -11.268 -44.450 302 HG23 THR 50 HG23 THR 50 -16.196 -12.470 -43.365 303 HA PRO 51 HA PRO 51 -15.036 -9.609 -46.926 304 HB2 PRO 51 HB2 PRO 51 -15.304 -7.727 -48.876 305 HB3 PRO 51 HB3 PRO 51 -16.361 -9.137 -48.744 306 HG2 PRO 51 HG2 PRO 51 -16.827 -6.333 -47.816 307 HG3 PRO 51 HG3 PRO 51 -17.935 -7.428 -48.666 308 HD2 PRO 51 HD2 PRO 51 -18.090 -7.035 -46.010 309 HD3 PRO 51 HD3 PRO 51 -18.436 -8.613 -46.744 310 H CYS 52 H CYS 52 -13.014 -8.822 -47.676 311 HA CYS 52 HA CYS 52 -11.597 -7.337 -45.842 312 HB2 CYS 52 HB2 CYS 52 -10.626 -8.900 -47.484 313 HB3 CYS 52 HB3 CYS 52 -10.924 -7.696 -48.739 314 H GLY 53 H GLY 53 -10.769 -5.262 -45.770 315 HA2 GLY 53 HA2 GLY 53 -12.403 -3.356 -47.234 316 HA3 GLY 53 HA3 GLY 53 -11.496 -3.016 -45.766 317 H CYS 54 H CYS 54 -9.276 -4.651 -47.405 318 HA CYS 54 HA CYS 54 -7.855 -2.351 -48.212 319 HB2 CYS 54 HB2 CYS 54 -7.451 -5.281 -48.674 320 HB3 CYS 54 HB3 CYS 54 -6.432 -4.103 -49.493 321 H ALA 55 H ALA 55 -10.271 -4.178 -49.763 322 HA ALA 55 HA ALA 55 -9.590 -3.117 -52.394 323 HB1 ALA 55 HB1 ALA 55 -11.815 -4.981 -51.560 324 HB2 ALA 55 HB2 ALA 55 -10.268 -5.467 -52.255 325 HB3 ALA 55 HB3 ALA 55 -11.412 -4.531 -53.216 326 H THR 56 H THR 56 -11.128 -2.080 -49.703 327 HA THR 56 HA THR 56 -13.225 -0.619 -51.150 328 HB THR 56 HB THR 56 -12.980 -1.074 -48.168 329 HG1 THR 56 HG1 THR 56 -13.829 -2.713 -50.145 330 HG21 THR 56 HG21 THR 56 -15.328 -0.342 -48.121 331 HG22 THR 56 HG22 THR 56 -15.264 -0.035 -49.857 332 HG23 THR 56 HG23 THR 56 -14.272 0.920 -48.755 333 H SER 57 H SER 57 -10.662 -0.205 -48.680 334 HA SER 57 HA SER 57 -10.898 2.715 -49.042 335 HB2 SER 57 HB2 SER 57 -9.637 2.800 -46.842 336 HB3 SER 57 HB3 SER 57 -11.258 2.114 -46.747 337 HG SER 57 HG SER 57 -10.453 0.181 -46.392 338 H GLY 58 H GLY 58 -9.308 0.575 -50.576 339 HA2 GLY 58 HA2 GLY 58 -7.348 0.916 -51.831 340 HA3 GLY 58 HA3 GLY 58 -6.827 2.107 -50.643 341 H CYS 59 H CYS 59 -5.395 -0.213 -51.749 342 HA CYS 59 HA CYS 59 -5.312 -2.086 -49.554 343 HB2 CYS 59 HB2 CYS 59 -5.129 -2.811 -51.927 344 HB3 CYS 59 HB3 CYS 59 -3.573 -1.993 -52.013 345 H ASN 60 H ASN 60 -3.600 -2.435 -48.194 346 HA ASN 60 HA ASN 60 -1.720 -0.181 -47.986 347 HB2 ASN 60 HB2 ASN 60 -3.076 -0.308 -46.026 348 HB3 ASN 60 HB3 ASN 60 -2.824 -2.044 -45.886 349 HD21 ASN 60 HD21 ASN 60 -1.404 1.102 -45.438 350 HD22 ASN 60 HD22 ASN 60 -0.083 0.575 -44.455 351 H CYS 61 H CYS 61 -1.914 -3.715 -47.658 352 HA CYS 61 HA CYS 61 0.970 -3.883 -47.505 353 HB2 CYS 61 HB2 CYS 61 0.410 -6.388 -47.359 354 HB3 CYS 61 HB3 CYS 61 -0.071 -5.355 -46.017 355 H THR 62 H THR 62 1.546 -6.195 -48.818 356 HA THR 62 HA THR 62 1.110 -5.384 -51.593 357 HB THR 62 HB THR 62 3.248 -6.606 -52.067 358 HG1 THR 62 HG1 THR 62 3.769 -6.518 -49.294 359 HG21 THR 62 HG21 THR 62 3.244 -4.175 -51.784 360 HG22 THR 62 HG22 THR 62 4.719 -4.879 -51.122 361 HG23 THR 62 HG23 THR 62 3.421 -4.372 -50.040 362 H ASP 63 H ASP 63 1.743 -7.390 -53.078 363 HA ASP 63 HA ASP 63 -0.351 -9.299 -52.733 364 HB2 ASP 63 HB2 ASP 63 1.916 -9.215 -54.742 365 HB3 ASP 63 HB3 ASP 63 0.530 -10.298 -54.827 366 H ASP 64 H ASP 64 2.407 -9.060 -51.159 367 HA ASP 64 HA ASP 64 3.414 -11.735 -51.182 368 HB2 ASP 64 HB2 ASP 64 4.703 -9.655 -50.515 369 HB3 ASP 64 HB3 ASP 64 3.747 -9.621 -49.040 370 H CYS 65 H CYS 65 0.912 -9.981 -49.577 371 HA CYS 65 HA CYS 65 0.612 -11.618 -47.276 372 HB2 CYS 65 HB2 CYS 65 -0.319 -9.226 -47.688 373 HB3 CYS 65 HB3 CYS 65 -1.617 -10.034 -48.550 374 H LYS 66 H LYS 66 -0.860 -13.287 -46.857 375 HA LYS 66 HA LYS 66 -1.423 -15.021 -49.061 376 HB2 LYS 66 HB2 LYS 66 -1.998 -15.133 -46.129 377 HB3 LYS 66 HB3 LYS 66 -2.749 -16.285 -47.219 378 HG2 LYS 66 HG2 LYS 66 -0.495 -16.953 -47.981 379 HG3 LYS 66 HG3 LYS 66 0.188 -15.878 -46.757 380 HD2 LYS 66 HD2 LYS 66 -1.728 -18.126 -46.152 381 HD3 LYS 66 HD3 LYS 66 0.027 -18.272 -46.055 382 HE2 LYS 66 HE2 LYS 66 0.026 -16.391 -44.424 383 HE3 LYS 66 HE3 LYS 66 -1.737 -16.430 -44.448 384 HZ1 LYS 66 HZ1 LYS 66 -0.863 -17.665 -42.586 385 HZ2 LYS 66 HZ2 LYS 66 0.038 -18.657 -43.615 386 HZ3 LYS 66 HZ3 LYS 66 -1.657 -18.707 -43.656 387 H CYS 67 H CYS 67 -3.038 -12.359 -47.965 388 HA CYS 67 HA CYS 67 -5.686 -13.402 -48.232 389 HB2 CYS 67 HB2 CYS 67 -5.063 -11.518 -46.706 390 HB3 CYS 67 HB3 CYS 67 -4.857 -10.512 -48.139 391 H GLN 68 H GLN 68 -6.446 -13.938 -50.134 392 HA GLN 68 HA GLN 68 -5.465 -12.727 -52.565 393 HB2 GLN 68 HB2 GLN 68 -7.709 -14.723 -52.291 394 HB3 GLN 68 HB3 GLN 68 -6.757 -14.375 -53.725 395 HG2 GLN 68 HG2 GLN 68 -5.741 -16.293 -53.086 396 HG3 GLN 68 HG3 GLN 68 -4.780 -15.155 -52.143 397 HE21 GLN 68 HE21 GLN 68 -5.316 -17.957 -51.664 398 HE22 GLN 68 HE22 GLN 68 -6.040 -18.062 -50.100 399 H SER 69 H SER 69 -7.327 -11.396 -50.461 400 HA SER 69 HA SER 69 -9.634 -10.744 -52.076 401 HB2 SER 69 HB2 SER 69 -8.812 -9.494 -49.459 402 HB3 SER 69 HB3 SER 69 -10.426 -9.565 -50.168 403 HG SER 69 HG SER 69 -9.123 -11.383 -48.628 404 H CYS 70 H CYS 70 -6.641 -9.233 -50.986 405 HA CYS 70 HA CYS 70 -7.277 -6.876 -52.606 406 HB2 CYS 70 HB2 CYS 70 -5.310 -5.916 -51.211 407 HB3 CYS 70 HB3 CYS 70 -6.899 -6.091 -50.474 408 H SER 71 H SER 71 -5.264 -9.625 -52.471 409 HA SER 71 HA SER 71 -3.097 -8.474 -53.942 410 HB2 SER 71 HB2 SER 71 -2.360 -10.885 -54.159 411 HB3 SER 71 HB3 SER 71 -2.532 -10.291 -52.508 412 HG SER 71 HG SER 71 -3.995 -11.725 -52.180 413 H THR 72 H THR 72 -2.423 -9.401 -56.026 414 HA THR 72 HA THR 72 -4.544 -9.094 -57.912 415 HB THR 72 HB THR 72 -2.632 -9.547 -59.564 416 HG1 THR 72 HG1 THR 72 -1.076 -9.126 -57.212 417 HG21 THR 72 HG21 THR 72 -2.449 -7.267 -57.591 418 HG22 THR 72 HG22 THR 72 -3.428 -7.303 -59.058 419 HG23 THR 72 HG23 THR 72 -1.667 -7.310 -59.170 420 H ALA 73 H ALA 73 -5.444 -10.538 -59.238 421 HA ALA 73 HA ALA 73 -5.394 -13.297 -58.515 422 HB1 ALA 73 HB1 ALA 73 -7.031 -13.510 -60.378 423 HB2 ALA 73 HB2 ALA 73 -6.757 -11.814 -60.761 424 HB3 ALA 73 HB3 ALA 73 -7.463 -12.262 -59.211 425 H CYS 74 H CYS 74 -4.717 -15.031 -59.822 426 HA CYS 74 HA CYS 74 -2.490 -14.422 -61.560 427 HB2 CYS 74 HB2 CYS 74 -3.181 -16.600 -59.913 428 HB3 CYS 74 HB3 CYS 74 -3.252 -17.217 -61.561 429 H LYS 75 H LYS 75 -2.378 -15.129 -63.764 430 HA LYS 75 HA LYS 75 -4.977 -14.864 -65.064 431 HB2 LYS 75 HB2 LYS 75 -2.196 -14.707 -66.224 432 HB3 LYS 75 HB3 LYS 75 -3.688 -14.373 -67.089 433 HG2 LYS 75 HG2 LYS 75 -2.690 -12.831 -64.698 434 HG3 LYS 75 HG3 LYS 75 -2.514 -12.329 -66.378 435 HD2 LYS 75 HD2 LYS 75 -4.918 -12.160 -66.624 436 HD3 LYS 75 HD3 LYS 75 -5.165 -12.818 -65.005 437 HE2 LYS 75 HE2 LYS 75 -5.410 -10.378 -65.043 438 HE3 LYS 75 HE3 LYS 75 -4.065 -10.889 -64.029 439 HZ1 LYS 75 HZ1 LYS 75 -2.537 -10.308 -65.783 440 HZ2 LYS 75 HZ2 LYS 75 -3.519 -8.979 -65.433 441 HZ3 LYS 75 HZ3 LYS 75 -3.810 -9.898 -66.816 442 H CYS 76 H CYS 76 -3.686 -17.362 -63.872 443 HA CYS 76 HA CYS 76 -3.549 -19.127 -66.137 444 HB2 CYS 76 HB2 CYS 76 -3.545 -19.658 -63.165 445 HB3 CYS 76 HB3 CYS 76 -3.343 -20.897 -64.398 446 H ALA 77 H ALA 77 -4.932 -21.100 -66.139 447 HA ALA 77 HA ALA 77 -7.665 -20.506 -65.229 448 HB1 ALA 77 HB1 ALA 77 -8.556 -21.466 -67.272 449 HB2 ALA 77 HB2 ALA 77 -6.931 -21.817 -67.851 450 HB3 ALA 77 HB3 ALA 77 -7.460 -20.144 -67.670 451 H ALA 78 H ALA 78 -9.003 -22.650 -65.418 452 HA ALA 78 HA ALA 78 -8.127 -24.404 -63.489 453 HB1 ALA 78 HB1 ALA 78 -9.900 -25.895 -64.191 454 HB2 ALA 78 HB2 ALA 78 -10.014 -25.065 -65.743 455 HB3 ALA 78 HB3 ALA 78 -10.450 -24.221 -64.257 456 H GLY 79 H GLY 79 -7.525 -24.540 -66.928 457 HA2 GLY 79 HA2 GLY 79 -5.604 -26.705 -66.423 458 HA3 GLY 79 HA3 GLY 79 -6.713 -26.806 -67.786 459 H SER 80 H SER 80 -4.718 -24.202 -66.410 460 HA SER 80 HA SER 80 -3.007 -24.119 -68.700 461 HB2 SER 80 HB2 SER 80 -4.933 -23.013 -69.698 462 HB3 SER 80 HB3 SER 80 -5.041 -21.911 -68.327 463 HG SER 80 HG SER 80 -2.938 -22.084 -70.229 464 H CYS 81 H CYS 81 -1.256 -24.074 -67.396 465 HA CYS 81 HA CYS 81 -1.008 -21.927 -65.405 466 HB2 CYS 81 HB2 CYS 81 -0.552 -24.170 -64.562 467 HB3 CYS 81 HB3 CYS 81 0.604 -24.455 -65.855 468 H LYS 82 H LYS 82 0.337 -20.222 -65.778 469 HA LYS 82 HA LYS 82 1.963 -20.310 -68.236 470 HB2 LYS 82 HB2 LYS 82 0.697 -18.039 -66.753 471 HB3 LYS 82 HB3 LYS 82 2.063 -17.747 -67.812 472 HG2 LYS 82 HG2 LYS 82 0.179 -17.304 -69.111 473 HG3 LYS 82 HG3 LYS 82 0.707 -18.908 -69.618 474 HD2 LYS 82 HD2 LYS 82 -1.012 -19.954 -68.370 475 HD3 LYS 82 HD3 LYS 82 -1.425 -18.442 -67.555 476 HE2 LYS 82 HE2 LYS 82 -2.013 -17.499 -69.795 477 HE3 LYS 82 HE3 LYS 82 -1.792 -19.109 -70.469 478 HZ1 LYS 82 HZ1 LYS 82 -3.549 -19.925 -69.068 479 HZ2 LYS 82 HZ2 LYS 82 -4.106 -18.618 -69.981 480 HZ3 LYS 82 HZ3 LYS 82 -3.741 -18.399 -68.346 481 H CYS 83 H CYS 83 2.147 -18.836 -65.004 482 HA CYS 83 HA CYS 83 4.854 -18.150 -65.139 483 HB2 CYS 83 HB2 CYS 83 4.653 -17.948 -62.661 484 HB3 CYS 83 HB3 CYS 83 3.375 -17.120 -63.553 485 H GLY 84 H GLY 84 3.319 -21.173 -64.445 486 HA2 GLY 84 HA2 GLY 84 4.330 -23.259 -64.469 487 HA3 GLY 84 HA3 GLY 84 5.898 -22.469 -64.475 488 H LYS 85 H LYS 85 3.623 -21.506 -62.057 489 HA LYS 85 HA LYS 85 5.331 -22.767 -60.062 490 HB2 LYS 85 HB2 LYS 85 3.177 -20.670 -59.819 491 HB3 LYS 85 HB3 LYS 85 4.007 -21.371 -58.436 492 HG2 LYS 85 HG2 LYS 85 5.318 -19.845 -60.678 493 HG3 LYS 85 HG3 LYS 85 4.953 -19.211 -59.072 494 HD2 LYS 85 HD2 LYS 85 6.456 -20.859 -58.068 495 HD3 LYS 85 HD3 LYS 85 6.797 -21.537 -59.661 496 HE2 LYS 85 HE2 LYS 85 7.390 -18.709 -58.802 497 HE3 LYS 85 HE3 LYS 85 8.570 -20.016 -58.888 498 HZ1 LYS 85 HZ1 LYS 85 8.170 -20.172 -61.265 499 HZ2 LYS 85 HZ2 LYS 85 8.660 -18.614 -60.849 500 HZ3 LYS 85 HZ3 LYS 85 7.035 -18.920 -61.187 501 H GLY 86 H GLY 86 2.634 -23.559 -61.727 502 HA2 GLY 86 HA2 GLY 86 1.409 -25.501 -61.490 503 HA3 GLY 86 HA3 GLY 86 2.087 -25.708 -59.882 504 H CYS 87 H CYS 87 0.360 -22.914 -61.166 505 HA CYS 87 HA CYS 87 -1.830 -23.544 -59.332 506 HB2 CYS 87 HB2 CYS 87 -2.119 -21.031 -59.127 507 HB3 CYS 87 HB3 CYS 87 -0.704 -21.706 -58.330 508 H THR 88 H THR 88 -3.774 -23.612 -60.244 509 HA THR 88 HA THR 88 -3.934 -22.776 -63.035 510 HB THR 88 HB THR 88 -5.934 -24.360 -63.085 511 HG1 THR 88 HG1 THR 88 -6.092 -24.534 -60.756 512 HG21 THR 88 HG21 THR 88 -3.182 -25.500 -62.542 513 HG22 THR 88 HG22 THR 88 -3.737 -24.872 -64.093 514 HG23 THR 88 HG23 THR 88 -4.486 -26.317 -63.406 515 H GLY 89 H GLY 89 -4.223 -20.635 -61.831 516 HA2 GLY 89 HA2 GLY 89 -6.062 -19.068 -62.353 517 HA3 GLY 89 HA3 GLY 89 -7.123 -20.201 -61.527 518 HA PRO 90 HA PRO 90 -5.314 -16.808 -58.652 519 HB2 PRO 90 HB2 PRO 90 -7.710 -15.621 -58.099 520 HB3 PRO 90 HB3 PRO 90 -6.603 -15.071 -59.360 521 HG2 PRO 90 HG2 PRO 90 -9.009 -16.835 -59.598 522 HG3 PRO 90 HG3 PRO 90 -8.538 -15.460 -60.620 523 HD2 PRO 90 HD2 PRO 90 -8.099 -17.963 -61.410 524 HD3 PRO 90 HD3 PRO 90 -6.887 -16.697 -61.708 525 H ASP 91 H ASP 91 -8.110 -18.939 -58.609 526 HA ASP 91 HA ASP 91 -8.407 -18.860 -55.754 527 HB2 ASP 91 HB2 ASP 91 -10.229 -19.454 -57.435 528 HB3 ASP 91 HB3 ASP 91 -9.432 -21.014 -57.602 529 H SER 92 H SER 92 -6.640 -20.734 -58.070 530 HA SER 92 HA SER 92 -5.772 -22.655 -56.081 531 HB2 SER 92 HB2 SER 92 -4.982 -22.369 -58.988 532 HB3 SER 92 HB3 SER 92 -4.588 -23.727 -57.934 533 HG SER 92 HG SER 92 -6.955 -23.909 -57.676 534 H CYS 93 H CYS 93 -4.668 -19.742 -57.629 535 HA CYS 93 HA CYS 93 -1.919 -20.076 -56.986 536 HB2 CYS 93 HB2 CYS 93 -2.551 -18.512 -58.736 537 HB3 CYS 93 HB3 CYS 93 -3.465 -17.549 -57.577 538 H LYS 94 H LYS 94 -1.416 -20.424 -55.016 539 HA LYS 94 HA LYS 94 -2.387 -18.587 -52.946 540 HB2 LYS 94 HB2 LYS 94 -1.653 -21.514 -52.714 541 HB3 LYS 94 HB3 LYS 94 -2.157 -20.480 -51.380 542 HG2 LYS 94 HG2 LYS 94 -4.347 -20.396 -52.080 543 HG3 LYS 94 HG3 LYS 94 -3.932 -20.734 -53.759 544 HD2 LYS 94 HD2 LYS 94 -5.071 -22.630 -52.788 545 HD3 LYS 94 HD3 LYS 94 -3.393 -23.051 -53.130 546 HE2 LYS 94 HE2 LYS 94 -2.801 -22.792 -50.812 547 HE3 LYS 94 HE3 LYS 94 -4.408 -22.177 -50.429 548 HZ1 LYS 94 HZ1 LYS 94 -4.072 -24.545 -49.843 549 HZ2 LYS 94 HZ2 LYS 94 -3.891 -24.899 -51.490 550 HZ3 LYS 94 HZ3 LYS 94 -5.353 -24.287 -50.920 551 H CYS 95 H CYS 95 -0.108 -18.618 -54.832 552 HA CYS 95 HA CYS 95 2.247 -18.985 -53.208 553 HB2 CYS 95 HB2 CYS 95 2.039 -17.738 -55.956 554 HB3 CYS 95 HB3 CYS 95 3.451 -18.483 -55.217 555 H ASP 96 H ASP 96 3.859 -16.924 -53.762 556 HA ASP 96 HA ASP 96 2.488 -14.663 -52.510 557 HB2 ASP 96 HB2 ASP 96 4.695 -13.886 -51.824 558 HB3 ASP 96 HB3 ASP 96 4.487 -15.564 -51.350 559 H ARG 97 H ARG 97 4.358 -12.696 -53.203 560 HA ARG 97 HA ARG 97 3.352 -11.958 -55.802 561 HB2 ARG 97 HB2 ARG 97 4.582 -9.828 -55.369 562 HB3 ARG 97 HB3 ARG 97 3.475 -10.272 -54.074 563 HG2 ARG 97 HG2 ARG 97 5.356 -11.118 -52.755 564 HG3 ARG 97 HG3 ARG 97 6.461 -10.656 -54.050 565 HD2 ARG 97 HD2 ARG 97 5.946 -8.333 -53.743 566 HD3 ARG 97 HD3 ARG 97 4.649 -8.717 -52.617 567 HE ARG 97 HE ARG 97 6.733 -9.796 -51.367 568 HH11 ARG 97 HH11 ARG 97 6.391 -6.645 -52.886 569 HH12 ARG 97 HH12 ARG 97 7.497 -5.868 -51.811 570 HH21 ARG 97 HH21 ARG 97 8.201 -8.753 -49.938 571 HH22 ARG 97 HH22 ARG 97 8.528 -7.065 -50.133 572 H SER 98 H SER 98 5.236 -14.225 -55.613 573 HA SER 98 HA SER 98 7.607 -13.288 -57.000 574 HB2 SER 98 HB2 SER 98 8.150 -15.787 -56.976 575 HB3 SER 98 HB3 SER 98 8.045 -14.996 -55.404 576 HG SER 98 HG SER 98 6.446 -16.260 -54.910 577 H CYS 99 H CYS 99 4.496 -14.264 -57.755 578 HA CYS 99 HA CYS 99 5.054 -15.513 -60.276 579 HB2 CYS 99 HB2 CYS 99 2.610 -14.737 -58.767 580 HB3 CYS 99 HB3 CYS 99 2.461 -15.078 -60.480 581 H SER 100 H SER 100 4.903 -14.665 -62.287 582 HA SER 100 HA SER 100 5.072 -11.782 -62.489 583 HB2 SER 100 HB2 SER 100 5.319 -13.877 -64.660 584 HB3 SER 100 HB3 SER 100 5.777 -12.177 -64.786 585 HG SER 100 HG SER 100 7.209 -12.669 -62.930 586 H CYS 101 H CYS 101 2.610 -14.027 -62.599 587 HA CYS 101 HA CYS 101 0.974 -12.690 -64.577 588 HB2 CYS 101 HB2 CYS 101 0.490 -14.955 -62.657 589 HB3 CYS 101 HB3 CYS 101 -0.802 -14.266 -63.639 590 H LYS 102 H LYS 102 1.934 -11.858 -61.623 591 HA LYS 102 HA LYS 102 -0.582 -11.068 -60.491 592 HB2 LYS 102 HB2 LYS 102 2.245 -10.468 -59.624 593 HB3 LYS 102 HB3 LYS 102 0.796 -10.110 -58.694 594 HG2 LYS 102 HG2 LYS 102 1.892 -12.818 -59.414 595 HG3 LYS 102 HG3 LYS 102 1.753 -12.099 -57.808 596 HD2 LYS 102 HD2 LYS 102 -0.764 -12.002 -58.296 597 HD3 LYS 102 HD3 LYS 102 -0.419 -13.140 -59.600 598 HE2 LYS 102 HE2 LYS 102 0.434 -14.744 -58.054 599 HE3 LYS 102 HE3 LYS 102 0.367 -13.580 -56.728 600 HZ1 LYS 102 HZ1 LYS 102 -2.072 -13.518 -57.044 601 HZ2 LYS 102 HZ2 LYS 102 -1.485 -15.041 -56.572 602 HZ3 LYS 102 HZ3 LYS 102 -1.918 -14.769 -58.178 Start of MODEL 6 1 HA2 GLY 1 HA2 GLY 1 8.190 -2.398 -15.970 2 HA3 GLY 1 HA3 GLY 1 8.644 -4.086 -15.812 3 H SER 2 H SER 2 7.012 -5.682 -16.562 4 HA SER 2 HA SER 2 5.533 -4.619 -18.868 5 HB2 SER 2 HB2 SER 2 7.568 -6.027 -19.414 6 HB3 SER 2 HB3 SER 2 6.748 -7.384 -18.645 7 HG SER 2 HG SER 2 6.544 -6.722 -21.116 8 H MET 3 H MET 3 4.063 -6.795 -19.539 9 HA MET 3 HA MET 3 2.441 -7.274 -17.129 10 HB2 MET 3 HB2 MET 3 1.570 -6.869 -19.990 11 HB3 MET 3 HB3 MET 3 0.503 -7.502 -18.748 12 HG2 MET 3 HG2 MET 3 0.776 -5.438 -17.466 13 HG3 MET 3 HG3 MET 3 1.845 -4.808 -18.718 14 HE1 MET 3 HE1 MET 3 0.296 -2.623 -18.801 15 HE2 MET 3 HE2 MET 3 -0.778 -3.318 -17.588 16 HE3 MET 3 HE3 MET 3 -1.443 -2.672 -19.087 17 H SER 4 H SER 4 2.847 -9.256 -16.474 18 HA SER 4 HA SER 4 3.293 -11.369 -18.447 19 HB2 SER 4 HB2 SER 4 3.776 -11.385 -15.458 20 HB3 SER 4 HB3 SER 4 4.264 -12.637 -16.601 21 HG SER 4 HG SER 4 5.381 -10.729 -17.672 22 H SER 5 H SER 5 2.197 -13.356 -18.304 23 HA SER 5 HA SER 5 0.356 -14.643 -18.253 24 HB2 SER 5 HB2 SER 5 -0.679 -15.038 -16.007 25 HB3 SER 5 HB3 SER 5 1.077 -15.153 -16.002 26 HG SER 5 HG SER 5 0.555 -12.655 -15.462 27 H VAL 6 H VAL 6 -0.059 -11.972 -19.208 28 HA VAL 6 HA VAL 6 -2.840 -11.519 -18.393 29 HB VAL 6 HB VAL 6 -0.997 -9.641 -19.895 30 HG11 VAL 6 HG11 VAL 6 -3.333 -9.339 -20.529 31 HG12 VAL 6 HG12 VAL 6 -2.768 -7.977 -19.560 32 HG13 VAL 6 HG13 VAL 6 -3.788 -9.216 -18.829 33 HG21 VAL 6 HG21 VAL 6 -1.979 -9.599 -17.044 34 HG22 VAL 6 HG22 VAL 6 -1.102 -8.287 -17.825 35 HG23 VAL 6 HG23 VAL 6 -0.318 -9.849 -17.581 36 H PHE 7 H PHE 7 -4.219 -12.510 -19.609 37 HA PHE 7 HA PHE 7 -3.763 -12.570 -22.500 38 HB2 PHE 7 HB2 PHE 7 -5.244 -14.619 -22.500 39 HB3 PHE 7 HB3 PHE 7 -3.684 -14.830 -21.719 40 HD1 PHE 7 HD1 PHE 7 -7.264 -14.964 -21.325 41 HD2 PHE 7 HD2 PHE 7 -3.567 -14.868 -19.216 42 HE1 PHE 7 HE1 PHE 7 -8.392 -15.809 -19.313 43 HE2 PHE 7 HE2 PHE 7 -4.691 -15.712 -17.201 44 HZ PHE 7 HZ PHE 7 -7.106 -16.182 -17.246 45 H GLY 8 H GLY 8 -5.062 -11.287 -23.575 46 HA2 GLY 8 HA2 GLY 8 -7.018 -10.221 -24.214 47 HA3 GLY 8 HA3 GLY 8 -7.847 -11.018 -22.882 48 H ALA 9 H ALA 9 -7.665 -8.151 -23.897 49 HA ALA 9 HA ALA 9 -7.803 -6.058 -23.052 50 HB1 ALA 9 HB1 ALA 9 -7.925 -7.397 -20.358 51 HB2 ALA 9 HB2 ALA 9 -9.301 -7.145 -21.434 52 HB3 ALA 9 HB3 ALA 9 -8.448 -5.759 -20.750 53 H GLY 10 H GLY 10 -5.126 -7.749 -22.821 54 HA2 GLY 10 HA2 GLY 10 -3.666 -5.948 -21.044 55 HA3 GLY 10 HA3 GLY 10 -3.044 -7.430 -21.754 56 H CYS 11 H CYS 11 -4.336 -4.317 -22.821 57 HA CYS 11 HA CYS 11 -2.682 -4.381 -25.166 58 HB2 CYS 11 HB2 CYS 11 -4.591 -2.341 -24.080 59 HB3 CYS 11 HB3 CYS 11 -3.608 -2.045 -25.511 60 H THR 12 H THR 12 -1.268 -2.682 -25.773 61 HA THR 12 HA THR 12 0.590 -2.099 -23.638 62 HB THR 12 HB THR 12 1.460 -3.044 -25.729 63 HG1 THR 12 HG1 THR 12 3.177 -1.717 -25.778 64 HG21 THR 12 HG21 THR 12 0.326 -0.549 -27.002 65 HG22 THR 12 HG22 THR 12 -0.169 -2.211 -27.317 66 HG23 THR 12 HG23 THR 12 1.433 -1.659 -27.805 67 H ASP 13 H ASP 13 1.619 0.058 -23.635 68 HA ASP 13 HA ASP 13 -0.319 2.103 -23.315 69 HB2 ASP 13 HB2 ASP 13 1.557 3.539 -22.742 70 HB3 ASP 13 HB3 ASP 13 1.788 1.959 -22.000 71 H THR 14 H THR 14 1.787 1.112 -25.884 72 HA THR 14 HA THR 14 1.777 3.409 -27.488 73 HB THR 14 HB THR 14 1.814 0.572 -28.523 74 HG1 THR 14 HG1 THR 14 4.261 1.672 -27.984 75 HG21 THR 14 HG21 THR 14 3.335 1.501 -30.190 76 HG22 THR 14 HG22 THR 14 3.224 3.086 -29.423 77 HG23 THR 14 HG23 THR 14 1.805 2.377 -30.192 78 H CYS 15 H CYS 15 -0.708 1.212 -26.741 79 HA CYS 15 HA CYS 15 -2.238 1.635 -29.167 80 HB2 CYS 15 HB2 CYS 15 -2.142 -0.553 -28.010 81 HB3 CYS 15 HB3 CYS 15 -2.937 0.167 -26.623 82 H LYS 16 H LYS 16 -1.627 3.564 -26.673 83 HA LYS 16 HA LYS 16 -4.411 4.454 -26.293 84 HB2 LYS 16 HB2 LYS 16 -1.978 5.238 -24.691 85 HB3 LYS 16 HB3 LYS 16 -3.661 5.549 -24.287 86 HG2 LYS 16 HG2 LYS 16 -2.356 2.842 -24.441 87 HG3 LYS 16 HG3 LYS 16 -2.745 3.725 -22.960 88 HD2 LYS 16 HD2 LYS 16 -4.773 2.927 -25.028 89 HD3 LYS 16 HD3 LYS 16 -4.384 1.942 -23.618 90 HE2 LYS 16 HE2 LYS 16 -5.474 4.764 -23.584 91 HE3 LYS 16 HE3 LYS 16 -6.381 3.298 -23.217 92 HZ1 LYS 16 HZ1 LYS 16 -4.074 4.356 -21.674 93 HZ2 LYS 16 HZ2 LYS 16 -4.878 2.913 -21.339 94 HZ3 LYS 16 HZ3 LYS 16 -5.693 4.389 -21.195 95 H GLN 17 H GLN 17 -2.151 5.077 -28.415 96 HA GLN 17 HA GLN 17 -1.893 7.947 -28.048 97 HB2 GLN 17 HB2 GLN 17 -0.932 6.448 -30.462 98 HB3 GLN 17 HB3 GLN 17 -0.284 7.912 -29.745 99 HG2 GLN 17 HG2 GLN 17 -0.068 5.119 -28.670 100 HG3 GLN 17 HG3 GLN 17 1.227 6.085 -29.373 101 HE21 GLN 17 HE21 GLN 17 -0.676 5.457 -26.580 102 HE22 GLN 17 HE22 GLN 17 0.188 6.466 -25.489 103 H THR 18 H THR 18 -2.323 9.392 -29.877 104 HA THR 18 HA THR 18 -4.408 8.505 -31.732 105 HB THR 18 HB THR 18 -5.560 10.793 -31.289 106 HG1 THR 18 HG1 THR 18 -4.193 10.404 -28.816 107 HG21 THR 18 HG21 THR 18 -5.747 8.579 -29.235 108 HG22 THR 18 HG22 THR 18 -6.611 8.642 -30.772 109 HG23 THR 18 HG23 THR 18 -6.963 9.826 -29.513 110 HA PRO 19 HA PRO 19 -4.378 8.168 -33.689 111 HB2 PRO 19 HB2 PRO 19 -2.661 7.343 -35.612 112 HB3 PRO 19 HB3 PRO 19 -3.886 8.587 -35.891 113 HG2 PRO 19 HG2 PRO 19 -0.969 8.906 -35.299 114 HG3 PRO 19 HG3 PRO 19 -1.962 9.751 -36.501 115 HD2 PRO 19 HD2 PRO 19 -1.311 10.855 -34.121 116 HD3 PRO 19 HD3 PRO 19 -2.851 11.192 -34.938 117 H CYS 20 H CYS 20 -3.858 5.919 -33.600 118 HA CYS 20 HA CYS 20 -2.370 5.203 -31.354 119 HB2 CYS 20 HB2 CYS 20 -4.287 3.992 -32.603 120 HB3 CYS 20 HB3 CYS 20 -2.997 3.278 -33.560 121 H GLY 21 H GLY 21 -0.390 4.088 -31.112 122 HA2 GLY 21 HA2 GLY 21 1.502 4.742 -33.245 123 HA3 GLY 21 HA3 GLY 21 1.913 4.392 -31.575 124 H CYS 22 H CYS 22 -0.336 2.201 -32.789 125 HA CYS 22 HA CYS 22 1.624 0.116 -32.727 126 HB2 CYS 22 HB2 CYS 22 -1.339 0.064 -33.240 127 HB3 CYS 22 HB3 CYS 22 -0.326 -1.375 -33.148 128 H GLY 23 H GLY 23 1.206 2.224 -35.038 129 HA2 GLY 23 HA2 GLY 23 0.805 0.664 -37.375 130 HA3 GLY 23 HA3 GLY 23 1.581 2.243 -37.308 131 H SER 24 H SER 24 3.334 0.801 -35.161 132 HA SER 24 HA SER 24 5.347 -0.112 -37.064 133 HB2 SER 24 HB2 SER 24 5.655 0.361 -34.097 134 HB3 SER 24 HB3 SER 24 6.933 0.241 -35.306 135 HG SER 24 HG SER 24 5.629 2.141 -36.262 136 H GLY 25 H GLY 25 3.013 -1.391 -34.920 137 HA2 GLY 25 HA2 GLY 25 3.083 -3.959 -35.326 138 HA3 GLY 25 HA3 GLY 25 4.549 -3.808 -34.362 139 H CYS 26 H CYS 26 1.496 -4.707 -34.115 140 HA CYS 26 HA CYS 26 0.648 -3.237 -31.818 141 HB2 CYS 26 HB2 CYS 26 -0.388 -5.791 -33.016 142 HB3 CYS 26 HB3 CYS 26 -1.206 -4.837 -31.777 143 H ASN 27 H ASN 27 1.136 -3.566 -29.794 144 HA ASN 27 HA ASN 27 2.489 -6.062 -28.998 145 HB2 ASN 27 HB2 ASN 27 3.735 -3.944 -28.641 146 HB3 ASN 27 HB3 ASN 27 2.427 -3.350 -27.634 147 HD21 ASN 27 HD21 ASN 27 3.766 -6.628 -27.624 148 HD22 ASN 27 HD22 ASN 27 4.388 -6.541 -26.017 149 H CYS 28 H CYS 28 -0.504 -5.012 -29.151 150 HA CYS 28 HA CYS 28 -1.357 -5.565 -26.438 151 HB2 CYS 28 HB2 CYS 28 -3.635 -5.001 -27.530 152 HB3 CYS 28 HB3 CYS 28 -2.468 -3.704 -27.294 153 H LYS 29 H LYS 29 -3.851 -6.691 -26.929 154 HA LYS 29 HA LYS 29 -3.026 -9.392 -27.652 155 HB2 LYS 29 HB2 LYS 29 -5.583 -8.470 -26.321 156 HB3 LYS 29 HB3 LYS 29 -5.051 -10.133 -26.509 157 HG2 LYS 29 HG2 LYS 29 -3.735 -8.010 -24.819 158 HG3 LYS 29 HG3 LYS 29 -4.655 -9.401 -24.243 159 HD2 LYS 29 HD2 LYS 29 -2.989 -10.921 -25.040 160 HD3 LYS 29 HD3 LYS 29 -2.167 -9.626 -25.917 161 HE2 LYS 29 HE2 LYS 29 -1.689 -8.534 -23.779 162 HE3 LYS 29 HE3 LYS 29 -2.407 -9.911 -22.941 163 HZ1 LYS 29 HZ1 LYS 29 -0.054 -10.045 -24.755 164 HZ2 LYS 29 HZ2 LYS 29 -0.720 -11.341 -23.899 165 HZ3 LYS 29 HZ3 LYS 29 0.018 -10.073 -23.068 166 H GLU 30 H GLU 30 -4.546 -10.736 -28.861 167 HA GLU 30 HA GLU 30 -5.282 -9.427 -31.310 168 HB2 GLU 30 HB2 GLU 30 -5.960 -11.620 -32.113 169 HB3 GLU 30 HB3 GLU 30 -4.409 -11.727 -31.298 170 HG2 GLU 30 HG2 GLU 30 -5.403 -12.740 -29.380 171 HG3 GLU 30 HG3 GLU 30 -7.026 -12.423 -29.989 172 H ASP 31 H ASP 31 -6.802 -9.430 -28.483 173 HA ASP 31 HA ASP 31 -9.509 -9.629 -29.593 174 HB2 ASP 31 HB2 ASP 31 -8.826 -10.955 -27.520 175 HB3 ASP 31 HB3 ASP 31 -8.731 -9.413 -26.679 176 H CYS 32 H CYS 32 -7.573 -7.424 -29.960 177 HA CYS 32 HA CYS 32 -8.355 -5.222 -28.337 178 HB2 CYS 32 HB2 CYS 32 -6.165 -5.313 -29.417 179 HB3 CYS 32 HB3 CYS 32 -6.928 -5.296 -31.001 180 H ARG 33 H ARG 33 -9.835 -3.635 -28.693 181 HA ARG 33 HA ARG 33 -11.553 -3.939 -31.051 182 HB2 ARG 33 HB2 ARG 33 -12.260 -3.103 -28.250 183 HB3 ARG 33 HB3 ARG 33 -13.318 -2.776 -29.613 184 HG2 ARG 33 HG2 ARG 33 -14.185 -4.737 -28.802 185 HG3 ARG 33 HG3 ARG 33 -13.093 -5.325 -30.056 186 HD2 ARG 33 HD2 ARG 33 -12.737 -6.677 -28.175 187 HD3 ARG 33 HD3 ARG 33 -11.360 -5.593 -28.260 188 HE ARG 33 HE ARG 33 -13.386 -4.491 -26.618 189 HH11 ARG 33 HH11 ARG 33 -10.865 -6.921 -26.584 190 HH12 ARG 33 HH12 ARG 33 -10.631 -6.839 -24.873 191 HH21 ARG 33 HH21 ARG 33 -13.071 -4.358 -24.371 192 HH22 ARG 33 HH22 ARG 33 -11.887 -5.353 -23.604 193 H CYS 34 H CYS 34 -9.332 -2.416 -31.413 194 HA CYS 34 HA CYS 34 -10.177 0.395 -31.048 195 HB2 CYS 34 HB2 CYS 34 -8.001 -0.310 -29.956 196 HB3 CYS 34 HB3 CYS 34 -7.387 -0.679 -31.564 197 H GLN 35 H GLN 35 -10.623 1.567 -32.825 198 HA GLN 35 HA GLN 35 -10.781 0.351 -35.362 199 HB2 GLN 35 HB2 GLN 35 -10.845 3.283 -34.625 200 HB3 GLN 35 HB3 GLN 35 -11.228 2.664 -36.222 201 HG2 GLN 35 HG2 GLN 35 -12.697 1.891 -33.717 202 HG3 GLN 35 HG3 GLN 35 -13.201 3.180 -34.806 203 HE21 GLN 35 HE21 GLN 35 -14.394 0.583 -34.002 204 HE22 GLN 35 HE22 GLN 35 -14.782 -0.219 -35.489 205 H SER 36 H SER 36 -8.136 1.745 -33.796 206 HA SER 36 HA SER 36 -6.701 2.635 -36.071 207 HB2 SER 36 HB2 SER 36 -5.587 1.839 -33.398 208 HB3 SER 36 HB3 SER 36 -4.891 2.960 -34.569 209 HG SER 36 HG SER 36 -6.672 3.439 -32.614 210 H CYS 37 H CYS 37 -6.484 -0.249 -34.022 211 HA CYS 37 HA CYS 37 -4.963 -1.565 -36.163 212 HB2 CYS 37 HB2 CYS 37 -3.992 -2.940 -34.193 213 HB3 CYS 37 HB3 CYS 37 -3.379 -1.315 -34.465 214 H LYS 38 H LYS 38 -7.786 -1.438 -35.762 215 HA LYS 38 HA LYS 38 -9.014 -3.615 -34.571 216 HB2 LYS 38 HB2 LYS 38 -9.885 -1.534 -36.013 217 HB3 LYS 38 HB3 LYS 38 -9.960 -2.760 -37.264 218 HG2 LYS 38 HG2 LYS 38 -12.113 -2.646 -36.307 219 HG3 LYS 38 HG3 LYS 38 -11.370 -4.119 -35.679 220 HD2 LYS 38 HD2 LYS 38 -10.996 -3.167 -33.568 221 HD3 LYS 38 HD3 LYS 38 -11.259 -1.529 -34.167 222 HE2 LYS 38 HE2 LYS 38 -13.146 -2.425 -32.807 223 HE3 LYS 38 HE3 LYS 38 -13.608 -1.935 -34.434 224 HZ1 LYS 38 HZ1 LYS 38 -14.579 -4.070 -33.729 225 HZ2 LYS 38 HZ2 LYS 38 -13.031 -4.732 -33.633 226 HZ3 LYS 38 HZ3 LYS 38 -13.634 -4.213 -35.119 227 H TYR 39 H TYR 39 -7.350 -3.344 -37.605 228 HA TYR 39 HA TYR 39 -7.528 -6.253 -38.012 229 HB2 TYR 39 HB2 TYR 39 -8.426 -4.869 -39.873 230 HB3 TYR 39 HB3 TYR 39 -6.864 -4.076 -40.012 231 HD1 TYR 39 HD1 TYR 39 -8.828 -6.979 -40.888 232 HD2 TYR 39 HD2 TYR 39 -4.880 -5.404 -40.784 233 HE1 TYR 39 HE1 TYR 39 -8.094 -8.717 -42.462 234 HE2 TYR 39 HE2 TYR 39 -4.140 -7.138 -42.359 235 HH TYR 39 HH TYR 39 -6.179 -8.912 -44.196 236 H GLY 40 H GLY 40 -5.439 -3.428 -38.236 237 HA2 GLY 40 HA2 GLY 40 -3.270 -4.297 -36.854 238 HA3 GLY 40 HA3 GLY 40 -3.021 -4.941 -38.474 239 H ALA 41 H ALA 41 -2.671 -3.556 -40.186 240 HA ALA 41 HA ALA 41 -1.449 -1.056 -39.479 241 HB1 ALA 41 HB1 ALA 41 -1.921 -2.282 -42.195 242 HB2 ALA 41 HB2 ALA 41 -0.491 -2.523 -41.192 243 HB3 ALA 41 HB3 ALA 41 -0.857 -0.922 -41.838 244 H GLY 42 H GLY 42 -4.534 -2.076 -40.549 245 HA2 GLY 42 HA2 GLY 42 -6.233 -0.254 -40.096 246 HA3 GLY 42 HA3 GLY 42 -5.259 0.706 -41.202 247 H CYS 43 H CYS 43 -7.824 -1.454 -40.912 248 HA CYS 43 HA CYS 43 -7.908 -1.778 -43.830 249 HB2 CYS 43 HB2 CYS 43 -7.924 -3.795 -41.798 250 HB3 CYS 43 HB3 CYS 43 -9.445 -3.834 -42.680 251 H THR 44 H THR 44 -10.233 -2.553 -44.428 252 HA THR 44 HA THR 44 -12.019 -0.467 -43.456 253 HB THR 44 HB THR 44 -13.373 -1.085 -45.461 254 HG1 THR 44 HG1 THR 44 -11.486 -2.478 -46.783 255 HG21 THR 44 HG21 THR 44 -11.681 0.700 -45.588 256 HG22 THR 44 HG22 THR 44 -11.830 -0.163 -47.117 257 HG23 THR 44 HG23 THR 44 -10.467 -0.494 -46.048 258 H ASP 45 H ASP 45 -14.339 -1.075 -43.239 259 HA ASP 45 HA ASP 45 -14.565 -3.448 -41.619 260 HB2 ASP 45 HB2 ASP 45 -16.545 -1.277 -42.322 261 HB3 ASP 45 HB3 ASP 45 -16.958 -2.669 -41.329 262 H VAL 46 H VAL 46 -15.164 -2.567 -44.874 263 HA VAL 46 HA VAL 46 -17.163 -4.526 -45.471 264 HB VAL 46 HB VAL 46 -15.197 -3.452 -47.486 265 HG11 VAL 46 HG11 VAL 46 -18.106 -4.221 -47.715 266 HG12 VAL 46 HG12 VAL 46 -16.743 -5.210 -48.228 267 HG13 VAL 46 HG13 VAL 46 -17.070 -3.674 -49.030 268 HG21 VAL 46 HG21 VAL 46 -15.955 -1.523 -46.252 269 HG22 VAL 46 HG22 VAL 46 -17.631 -2.042 -46.407 270 HG23 VAL 46 HG23 VAL 46 -16.726 -1.547 -47.837 271 H CYS 47 H CYS 47 -13.744 -4.509 -45.206 272 HA CYS 47 HA CYS 47 -13.316 -7.001 -46.542 273 HB2 CYS 47 HB2 CYS 47 -11.587 -5.245 -46.439 274 HB3 CYS 47 HB3 CYS 47 -11.538 -5.396 -44.688 275 H LYS 48 H LYS 48 -13.855 -5.883 -43.259 276 HA LYS 48 HA LYS 48 -13.263 -8.380 -42.006 277 HB2 LYS 48 HB2 LYS 48 -14.662 -5.899 -41.048 278 HB3 LYS 48 HB3 LYS 48 -14.320 -7.289 -40.023 279 HG2 LYS 48 HG2 LYS 48 -11.981 -7.024 -40.331 280 HG3 LYS 48 HG3 LYS 48 -12.253 -5.770 -41.545 281 HD2 LYS 48 HD2 LYS 48 -12.974 -4.227 -39.957 282 HD3 LYS 48 HD3 LYS 48 -13.260 -5.478 -38.742 283 HE2 LYS 48 HE2 LYS 48 -10.535 -5.033 -39.850 284 HE3 LYS 48 HE3 LYS 48 -11.145 -3.988 -38.578 285 HZ1 LYS 48 HZ1 LYS 48 -9.911 -5.862 -37.641 286 HZ2 LYS 48 HZ2 LYS 48 -10.905 -6.953 -38.457 287 HZ3 LYS 48 HZ3 LYS 48 -11.545 -5.996 -37.231 288 H GLN 49 H GLN 49 -15.642 -7.727 -44.036 289 HA GLN 49 HA GLN 49 -17.946 -8.690 -42.676 290 HB2 GLN 49 HB2 GLN 49 -17.311 -8.652 -45.625 291 HB3 GLN 49 HB3 GLN 49 -18.887 -9.003 -44.940 292 HG2 GLN 49 HG2 GLN 49 -18.944 -6.752 -43.985 293 HG3 GLN 49 HG3 GLN 49 -17.380 -6.420 -44.733 294 HE21 GLN 49 HE21 GLN 49 -19.964 -5.123 -45.158 295 HE22 GLN 49 HE22 GLN 49 -20.315 -5.283 -46.843 296 H THR 50 H THR 50 -19.001 -10.712 -43.092 297 HA THR 50 HA THR 50 -17.392 -12.840 -44.198 298 HB THR 50 HB THR 50 -18.489 -13.035 -41.383 299 HG1 THR 50 HG1 THR 50 -16.124 -12.134 -42.374 300 HG21 THR 50 HG21 THR 50 -16.827 -14.977 -42.997 301 HG22 THR 50 HG22 THR 50 -18.562 -15.121 -42.727 302 HG23 THR 50 HG23 THR 50 -17.445 -15.229 -41.361 303 HA PRO 51 HA PRO 51 -17.626 -14.145 -45.700 304 HB2 PRO 51 HB2 PRO 51 -19.160 -13.641 -48.139 305 HB3 PRO 51 HB3 PRO 51 -18.328 -15.110 -47.629 306 HG2 PRO 51 HG2 PRO 51 -21.026 -14.931 -47.693 307 HG3 PRO 51 HG3 PRO 51 -20.161 -15.930 -46.511 308 HD2 PRO 51 HD2 PRO 51 -21.397 -13.229 -46.161 309 HD3 PRO 51 HD3 PRO 51 -21.393 -14.617 -45.057 310 H CYS 52 H CYS 52 -16.208 -12.904 -47.018 311 HA CYS 52 HA CYS 52 -16.319 -10.140 -46.503 312 HB2 CYS 52 HB2 CYS 52 -14.218 -11.456 -46.808 313 HB3 CYS 52 HB3 CYS 52 -14.584 -11.543 -48.525 314 H GLY 53 H GLY 53 -16.828 -8.418 -47.757 315 HA2 GLY 53 HA2 GLY 53 -17.932 -9.005 -50.426 316 HA3 GLY 53 HA3 GLY 53 -18.808 -8.008 -49.280 317 H CYS 54 H CYS 54 -15.395 -7.815 -49.316 318 HA CYS 54 HA CYS 54 -15.447 -5.053 -49.820 319 HB2 CYS 54 HB2 CYS 54 -13.681 -6.305 -48.531 320 HB3 CYS 54 HB3 CYS 54 -13.047 -6.851 -50.082 321 H ALA 55 H ALA 55 -14.560 -7.806 -51.878 322 HA ALA 55 HA ALA 55 -13.770 -6.247 -54.095 323 HB1 ALA 55 HB1 ALA 55 -13.177 -8.618 -53.843 324 HB2 ALA 55 HB2 ALA 55 -13.958 -8.301 -55.391 325 HB3 ALA 55 HB3 ALA 55 -14.867 -9.061 -54.084 326 H THR 56 H THR 56 -16.848 -7.451 -53.002 327 HA THR 56 HA THR 56 -18.353 -6.907 -55.328 328 HB THR 56 HB THR 56 -19.351 -6.938 -52.476 329 HG1 THR 56 HG1 THR 56 -19.338 -9.133 -52.605 330 HG21 THR 56 HG21 THR 56 -20.977 -6.225 -54.172 331 HG22 THR 56 HG22 THR 56 -21.401 -7.795 -53.494 332 HG23 THR 56 HG23 THR 56 -20.662 -7.696 -55.092 333 H SER 57 H SER 57 -17.596 -5.018 -52.436 334 HA SER 57 HA SER 57 -19.150 -2.742 -53.368 335 HB2 SER 57 HB2 SER 57 -19.200 -3.315 -50.978 336 HB3 SER 57 HB3 SER 57 -17.450 -3.134 -50.892 337 HG SER 57 HG SER 57 -17.870 -0.902 -51.644 338 H GLY 58 H GLY 58 -16.278 -3.970 -54.175 339 HA2 GLY 58 HA2 GLY 58 -14.710 -2.883 -55.568 340 HA3 GLY 58 HA3 GLY 58 -15.182 -1.343 -54.851 341 H CYS 59 H CYS 59 -12.954 -3.874 -54.800 342 HA CYS 59 HA CYS 59 -12.111 -4.035 -52.179 343 HB2 CYS 59 HB2 CYS 59 -11.309 -5.467 -54.019 344 HB3 CYS 59 HB3 CYS 59 -10.382 -4.113 -54.654 345 H ASN 60 H ASN 60 -11.281 -2.634 -50.821 346 HA ASN 60 HA ASN 60 -10.381 -0.054 -51.877 347 HB2 ASN 60 HB2 ASN 60 -12.229 -0.110 -50.203 348 HB3 ASN 60 HB3 ASN 60 -11.088 -0.757 -49.031 349 HD21 ASN 60 HD21 ASN 60 -9.480 0.592 -48.191 350 HD22 ASN 60 HD22 ASN 60 -9.548 2.308 -48.363 351 H CYS 61 H CYS 61 -9.359 -2.647 -49.681 352 HA CYS 61 HA CYS 61 -6.952 -1.271 -48.969 353 HB2 CYS 61 HB2 CYS 61 -6.382 -3.408 -47.802 354 HB3 CYS 61 HB3 CYS 61 -7.922 -2.711 -47.315 355 H THR 62 H THR 62 -4.938 -2.964 -49.048 356 HA THR 62 HA THR 62 -4.380 -3.056 -51.893 357 HB THR 62 HB THR 62 -2.022 -3.476 -51.141 358 HG1 THR 62 HG1 THR 62 -3.167 -2.957 -48.577 359 HG21 THR 62 HG21 THR 62 -3.390 -1.021 -50.031 360 HG22 THR 62 HG22 THR 62 -2.794 -1.220 -51.680 361 HG23 THR 62 HG23 THR 62 -1.660 -1.184 -50.330 362 H ASP 63 H ASP 63 -3.035 -4.853 -52.715 363 HA ASP 63 HA ASP 63 -4.316 -7.358 -52.150 364 HB2 ASP 63 HB2 ASP 63 -3.655 -6.539 -54.448 365 HB3 ASP 63 HB3 ASP 63 -1.982 -6.824 -54.013 366 H ASP 64 H ASP 64 -2.047 -5.750 -50.559 367 HA ASP 64 HA ASP 64 -0.105 -7.779 -49.955 368 HB2 ASP 64 HB2 ASP 64 0.524 -5.448 -49.716 369 HB3 ASP 64 HB3 ASP 64 -0.820 -5.150 -48.623 370 H CYS 65 H CYS 65 -3.276 -7.161 -49.106 371 HA CYS 65 HA CYS 65 -3.328 -8.101 -46.436 372 HB2 CYS 65 HB2 CYS 65 -5.056 -6.677 -47.777 373 HB3 CYS 65 HB3 CYS 65 -5.641 -8.241 -48.342 374 H LYS 66 H LYS 66 -3.560 -10.172 -45.671 375 HA LYS 66 HA LYS 66 -3.030 -12.362 -47.431 376 HB2 LYS 66 HB2 LYS 66 -3.770 -12.281 -44.513 377 HB3 LYS 66 HB3 LYS 66 -3.429 -13.770 -45.376 378 HG2 LYS 66 HG2 LYS 66 -1.174 -12.823 -45.916 379 HG3 LYS 66 HG3 LYS 66 -1.550 -11.498 -44.810 380 HD2 LYS 66 HD2 LYS 66 -1.526 -14.430 -44.085 381 HD3 LYS 66 HD3 LYS 66 -0.241 -13.282 -43.715 382 HE2 LYS 66 HE2 LYS 66 -3.084 -13.175 -42.712 383 HE3 LYS 66 HE3 LYS 66 -1.668 -13.651 -41.778 384 HZ1 LYS 66 HZ1 LYS 66 -2.210 -11.393 -41.280 385 HZ2 LYS 66 HZ2 LYS 66 -2.224 -10.966 -42.909 386 HZ3 LYS 66 HZ3 LYS 66 -0.772 -11.398 -42.166 387 H CYS 67 H CYS 67 -5.836 -10.732 -46.827 388 HA CYS 67 HA CYS 67 -7.638 -12.913 -46.675 389 HB2 CYS 67 HB2 CYS 67 -8.129 -10.563 -45.916 390 HB3 CYS 67 HB3 CYS 67 -8.252 -10.113 -47.614 391 H GLN 68 H GLN 68 -7.600 -14.348 -48.258 392 HA GLN 68 HA GLN 68 -6.992 -13.679 -50.982 393 HB2 GLN 68 HB2 GLN 68 -7.933 -16.264 -49.740 394 HB3 GLN 68 HB3 GLN 68 -7.383 -16.087 -51.398 395 HG2 GLN 68 HG2 GLN 68 -5.164 -15.553 -50.666 396 HG3 GLN 68 HG3 GLN 68 -5.686 -15.505 -48.982 397 HE21 GLN 68 HE21 GLN 68 -4.197 -17.090 -48.401 398 HE22 GLN 68 HE22 GLN 68 -4.420 -18.755 -48.812 399 H SER 69 H SER 69 -9.741 -13.129 -49.330 400 HA SER 69 HA SER 69 -11.650 -14.241 -51.148 401 HB2 SER 69 HB2 SER 69 -12.045 -12.166 -48.986 402 HB3 SER 69 HB3 SER 69 -13.310 -13.100 -49.785 403 HG SER 69 HG SER 69 -12.852 -14.773 -48.575 404 H CYS 70 H CYS 70 -10.512 -10.902 -50.478 405 HA CYS 70 HA CYS 70 -11.988 -10.004 -52.840 406 HB2 CYS 70 HB2 CYS 70 -11.487 -7.731 -51.976 407 HB3 CYS 70 HB3 CYS 70 -12.410 -8.739 -50.862 408 H SER 71 H SER 71 -8.767 -10.655 -51.815 409 HA SER 71 HA SER 71 -7.380 -8.834 -53.468 410 HB2 SER 71 HB2 SER 71 -5.440 -10.412 -53.078 411 HB3 SER 71 HB3 SER 71 -6.217 -9.787 -51.622 412 HG SER 71 HG SER 71 -6.697 -11.735 -51.094 413 H THR 72 H THR 72 -5.739 -9.732 -55.134 414 HA THR 72 HA THR 72 -7.330 -10.866 -57.255 415 HB THR 72 HB THR 72 -5.250 -10.508 -58.632 416 HG1 THR 72 HG1 THR 72 -4.313 -9.483 -56.131 417 HG21 THR 72 HG21 THR 72 -6.285 -8.128 -57.090 418 HG22 THR 72 HG22 THR 72 -7.001 -8.813 -58.550 419 HG23 THR 72 HG23 THR 72 -5.411 -8.055 -58.619 420 H ALA 73 H ALA 73 -6.892 -12.747 -58.378 421 HA ALA 73 HA ALA 73 -5.698 -14.848 -56.774 422 HB1 ALA 73 HB1 ALA 73 -7.881 -15.249 -57.743 423 HB2 ALA 73 HB2 ALA 73 -6.704 -16.343 -58.470 424 HB3 ALA 73 HB3 ALA 73 -7.252 -14.926 -59.356 425 H CYS 74 H CYS 74 -4.136 -16.313 -57.613 426 HA CYS 74 HA CYS 74 -2.134 -15.019 -59.224 427 HB2 CYS 74 HB2 CYS 74 -1.984 -16.767 -57.152 428 HB3 CYS 74 HB3 CYS 74 -1.784 -17.862 -58.510 429 H LYS 75 H LYS 75 -1.010 -16.384 -60.946 430 HA LYS 75 HA LYS 75 -3.098 -17.449 -62.727 431 HB2 LYS 75 HB2 LYS 75 -0.460 -16.145 -63.383 432 HB3 LYS 75 HB3 LYS 75 -1.530 -16.867 -64.573 433 HG2 LYS 75 HG2 LYS 75 -2.207 -14.543 -62.784 434 HG3 LYS 75 HG3 LYS 75 -1.774 -14.445 -64.492 435 HD2 LYS 75 HD2 LYS 75 -3.736 -15.854 -65.030 436 HD3 LYS 75 HD3 LYS 75 -4.182 -15.838 -63.324 437 HE2 LYS 75 HE2 LYS 75 -4.370 -13.394 -63.405 438 HE3 LYS 75 HE3 LYS 75 -3.947 -13.426 -65.116 439 HZ1 LYS 75 HZ1 LYS 75 -6.317 -14.780 -63.950 440 HZ2 LYS 75 HZ2 LYS 75 -5.937 -14.650 -65.588 441 HZ3 LYS 75 HZ3 LYS 75 -6.359 -13.274 -64.709 442 H CYS 76 H CYS 76 -0.943 -18.704 -60.719 443 HA CYS 76 HA CYS 76 0.389 -20.529 -62.477 444 HB2 CYS 76 HB2 CYS 76 0.155 -20.426 -59.481 445 HB3 CYS 76 HB3 CYS 76 1.070 -21.655 -60.354 446 H ALA 77 H ALA 77 0.292 -22.924 -61.882 447 HA ALA 77 HA ALA 77 -2.451 -23.836 -61.433 448 HB1 ALA 77 HB1 ALA 77 -2.203 -23.575 -63.866 449 HB2 ALA 77 HB2 ALA 77 -2.365 -25.272 -63.403 450 HB3 ALA 77 HB3 ALA 77 -0.781 -24.621 -63.818 451 H ALA 78 H ALA 78 -2.381 -26.353 -61.512 452 HA ALA 78 HA ALA 78 -0.625 -27.215 -59.479 453 HB1 ALA 78 HB1 ALA 78 -2.856 -28.178 -59.808 454 HB2 ALA 78 HB2 ALA 78 -1.606 -29.423 -59.828 455 HB3 ALA 78 HB3 ALA 78 -2.326 -28.872 -61.340 456 H GLY 79 H GLY 79 1.475 -27.019 -60.031 457 HA2 GLY 79 HA2 GLY 79 3.364 -28.361 -60.672 458 HA3 GLY 79 HA3 GLY 79 2.436 -28.911 -62.060 459 H SER 80 H SER 80 1.863 -25.688 -61.726 460 HA SER 80 HA SER 80 4.150 -24.952 -63.407 461 HB2 SER 80 HB2 SER 80 1.274 -24.138 -63.887 462 HB3 SER 80 HB3 SER 80 2.667 -23.634 -64.843 463 HG SER 80 HG SER 80 1.193 -25.732 -65.264 464 H CYS 81 H CYS 81 5.251 -23.707 -62.042 465 HA CYS 81 HA CYS 81 3.837 -21.555 -60.619 466 HB2 CYS 81 HB2 CYS 81 5.042 -23.097 -59.148 467 HB3 CYS 81 HB3 CYS 81 6.519 -22.859 -60.062 468 H LYS 82 H LYS 82 4.047 -19.596 -61.471 469 HA LYS 82 HA LYS 82 6.081 -19.107 -63.502 470 HB2 LYS 82 HB2 LYS 82 3.563 -17.715 -62.682 471 HB3 LYS 82 HB3 LYS 82 4.772 -16.840 -63.602 472 HG2 LYS 82 HG2 LYS 82 3.059 -17.716 -65.060 473 HG3 LYS 82 HG3 LYS 82 4.600 -18.501 -65.392 474 HD2 LYS 82 HD2 LYS 82 3.920 -20.473 -64.224 475 HD3 LYS 82 HD3 LYS 82 2.457 -19.679 -63.635 476 HE2 LYS 82 HE2 LYS 82 2.002 -21.188 -65.523 477 HE3 LYS 82 HE3 LYS 82 1.600 -19.512 -65.889 478 HZ1 LYS 82 HZ1 LYS 82 4.062 -20.932 -66.746 479 HZ2 LYS 82 HZ2 LYS 82 3.695 -19.318 -67.088 480 HZ3 LYS 82 HZ3 LYS 82 2.738 -20.554 -67.728 481 H CYS 83 H CYS 83 4.815 -17.278 -60.748 482 HA CYS 83 HA CYS 83 6.819 -15.339 -60.677 483 HB2 CYS 83 HB2 CYS 83 5.954 -14.913 -58.391 484 HB3 CYS 83 HB3 CYS 83 4.684 -15.031 -59.611 485 H GLY 84 H GLY 84 6.665 -18.537 -59.282 486 HA2 GLY 84 HA2 GLY 84 8.461 -19.804 -58.496 487 HA3 GLY 84 HA3 GLY 84 9.462 -18.358 -58.528 488 H LYS 85 H LYS 85 6.423 -17.994 -57.037 489 HA LYS 85 HA LYS 85 7.726 -17.673 -54.462 490 HB2 LYS 85 HB2 LYS 85 4.858 -17.152 -55.274 491 HB3 LYS 85 HB3 LYS 85 5.594 -16.684 -53.750 492 HG2 LYS 85 HG2 LYS 85 6.536 -15.682 -56.435 493 HG3 LYS 85 HG3 LYS 85 5.354 -14.839 -55.436 494 HD2 LYS 85 HD2 LYS 85 8.134 -15.559 -54.495 495 HD3 LYS 85 HD3 LYS 85 7.722 -14.009 -55.230 496 HE2 LYS 85 HE2 LYS 85 6.097 -13.589 -53.459 497 HE3 LYS 85 HE3 LYS 85 6.464 -15.151 -52.734 498 HZ1 LYS 85 HZ1 LYS 85 8.718 -14.401 -52.338 499 HZ2 LYS 85 HZ2 LYS 85 7.612 -13.347 -51.615 500 HZ3 LYS 85 HZ3 LYS 85 8.376 -12.907 -53.052 501 H GLY 86 H GLY 86 6.160 -20.097 -56.139 502 HA2 GLY 86 HA2 GLY 86 5.845 -22.286 -55.487 503 HA3 GLY 86 HA3 GLY 86 6.243 -21.824 -53.841 504 H CYS 87 H CYS 87 3.673 -20.629 -55.964 505 HA CYS 87 HA CYS 87 1.760 -21.322 -53.857 506 HB2 CYS 87 HB2 CYS 87 0.258 -19.836 -55.377 507 HB3 CYS 87 HB3 CYS 87 1.476 -19.083 -54.353 508 H THR 88 H THR 88 2.245 -21.638 -57.347 509 HA THR 88 HA THR 88 1.342 -22.956 -58.939 510 HB THR 88 HB THR 88 0.903 -25.376 -58.302 511 HG1 THR 88 HG1 THR 88 0.912 -24.351 -55.843 512 HG21 THR 88 HG21 THR 88 3.284 -25.861 -57.912 513 HG22 THR 88 HG22 THR 88 3.561 -24.158 -57.547 514 HG23 THR 88 HG23 THR 88 3.052 -24.641 -59.165 515 H GLY 89 H GLY 89 -0.520 -21.218 -57.853 516 HA2 GLY 89 HA2 GLY 89 -2.799 -21.509 -59.007 517 HA3 GLY 89 HA3 GLY 89 -3.011 -22.785 -57.819 518 HA PRO 90 HA PRO 90 -3.946 -18.331 -56.208 519 HB2 PRO 90 HB2 PRO 90 -6.646 -18.259 -56.539 520 HB3 PRO 90 HB3 PRO 90 -5.502 -17.640 -57.737 521 HG2 PRO 90 HG2 PRO 90 -6.901 -20.284 -57.656 522 HG3 PRO 90 HG3 PRO 90 -6.685 -19.178 -59.029 523 HD2 PRO 90 HD2 PRO 90 -5.129 -21.341 -58.715 524 HD3 PRO 90 HD3 PRO 90 -4.476 -19.814 -59.348 525 H ASP 91 H ASP 91 -5.467 -21.445 -55.977 526 HA ASP 91 HA ASP 91 -6.802 -21.060 -53.504 527 HB2 ASP 91 HB2 ASP 91 -7.004 -23.477 -53.456 528 HB3 ASP 91 HB3 ASP 91 -7.335 -22.886 -55.081 529 H SER 92 H SER 92 -3.564 -21.917 -54.417 530 HA SER 92 HA SER 92 -2.868 -22.256 -51.591 531 HB2 SER 92 HB2 SER 92 -1.415 -23.210 -54.070 532 HB3 SER 92 HB3 SER 92 -0.863 -23.447 -52.410 533 HG SER 92 HG SER 92 -3.343 -24.406 -53.460 534 H CYS 93 H CYS 93 -3.093 -19.894 -53.655 535 HA CYS 93 HA CYS 93 -0.456 -18.774 -53.483 536 HB2 CYS 93 HB2 CYS 93 -1.871 -18.335 -55.453 537 HB3 CYS 93 HB3 CYS 93 -3.037 -17.514 -54.422 538 H LYS 94 H LYS 94 -0.066 -18.632 -51.355 539 HA LYS 94 HA LYS 94 -1.784 -16.884 -49.764 540 HB2 LYS 94 HB2 LYS 94 0.513 -18.652 -48.900 541 HB3 LYS 94 HB3 LYS 94 -0.583 -17.775 -47.841 542 HG2 LYS 94 HG2 LYS 94 -2.452 -19.122 -48.622 543 HG3 LYS 94 HG3 LYS 94 -1.386 -19.976 -49.734 544 HD2 LYS 94 HD2 LYS 94 -1.600 -21.426 -47.915 545 HD3 LYS 94 HD3 LYS 94 -0.049 -20.633 -47.648 546 HE2 LYS 94 HE2 LYS 94 -2.614 -19.674 -46.382 547 HE3 LYS 94 HE3 LYS 94 -1.574 -20.873 -45.624 548 HZ1 LYS 94 HZ1 LYS 94 0.238 -19.204 -45.726 549 HZ2 LYS 94 HZ2 LYS 94 -1.051 -18.752 -44.745 550 HZ3 LYS 94 HZ3 LYS 94 -0.881 -18.056 -46.265 551 H CYS 95 H CYS 95 0.103 -16.181 -51.931 552 HA CYS 95 HA CYS 95 2.207 -14.721 -50.593 553 HB2 CYS 95 HB2 CYS 95 1.451 -14.842 -53.513 554 HB3 CYS 95 HB3 CYS 95 2.907 -14.109 -52.849 555 H ASP 96 H ASP 96 2.455 -12.483 -50.867 556 HA ASP 96 HA ASP 96 -0.070 -11.086 -50.785 557 HB2 ASP 96 HB2 ASP 96 1.232 -9.189 -49.975 558 HB3 ASP 96 HB3 ASP 96 1.664 -10.637 -49.076 559 H ARG 97 H ARG 97 0.582 -8.651 -51.681 560 HA ARG 97 HA ARG 97 -0.007 -8.689 -54.394 561 HB2 ARG 97 HB2 ARG 97 0.479 -6.301 -54.313 562 HB3 ARG 97 HB3 ARG 97 -0.466 -6.838 -52.925 563 HG2 ARG 97 HG2 ARG 97 1.556 -6.923 -51.577 564 HG3 ARG 97 HG3 ARG 97 2.487 -6.332 -52.956 565 HD2 ARG 97 HD2 ARG 97 1.217 -4.314 -52.988 566 HD3 ARG 97 HD3 ARG 97 0.180 -4.908 -51.692 567 HE ARG 97 HE ARG 97 2.685 -5.029 -50.638 568 HH11 ARG 97 HH11 ARG 97 0.840 -2.462 -52.172 569 HH12 ARG 97 HH12 ARG 97 1.546 -1.206 -51.218 570 HH21 ARG 97 HH21 ARG 97 3.633 -3.361 -49.372 571 HH22 ARG 97 HH22 ARG 97 3.145 -1.719 -49.619 572 H SER 98 H SER 98 3.078 -9.024 -52.893 573 HA SER 98 HA SER 98 4.645 -7.818 -54.942 574 HB2 SER 98 HB2 SER 98 6.552 -9.056 -53.855 575 HB3 SER 98 HB3 SER 98 5.625 -8.024 -52.767 576 HG SER 98 HG SER 98 4.714 -9.759 -51.843 577 H CYS 99 H CYS 99 2.803 -10.528 -54.981 578 HA CYS 99 HA CYS 99 4.395 -12.322 -56.459 579 HB2 CYS 99 HB2 CYS 99 2.027 -12.547 -55.246 580 HB3 CYS 99 HB3 CYS 99 1.470 -12.211 -56.877 581 H SER 100 H SER 100 4.908 -12.309 -58.542 582 HA SER 100 HA SER 100 4.499 -10.037 -60.143 583 HB2 SER 100 HB2 SER 100 5.390 -12.765 -61.051 584 HB3 SER 100 HB3 SER 100 5.777 -11.210 -61.792 585 HG SER 100 HG SER 100 6.909 -10.677 -59.865 586 H CYS 101 H CYS 101 2.704 -12.982 -59.812 587 HA CYS 101 HA CYS 101 1.505 -12.734 -62.411 588 HB2 CYS 101 HB2 CYS 101 1.070 -14.701 -60.185 589 HB3 CYS 101 HB3 CYS 101 0.264 -14.782 -61.753 590 H LYS 102 H LYS 102 0.909 -11.038 -59.684 591 HA LYS 102 HA LYS 102 -1.963 -11.097 -59.754 592 HB2 LYS 102 HB2 LYS 102 -0.103 -9.006 -58.613 593 HB3 LYS 102 HB3 LYS 102 -1.844 -9.047 -58.375 594 HG2 LYS 102 HG2 LYS 102 0.228 -10.931 -57.335 595 HG3 LYS 102 HG3 LYS 102 -0.884 -9.916 -56.422 596 HD2 LYS 102 HD2 LYS 102 -2.769 -11.262 -57.330 597 HD3 LYS 102 HD3 LYS 102 -1.586 -12.337 -58.086 598 HE2 LYS 102 HE2 LYS 102 -1.985 -13.453 -56.093 599 HE3 LYS 102 HE3 LYS 102 -0.588 -12.458 -55.669 600 HZ1 LYS 102 HZ1 LYS 102 -2.157 -10.801 -54.743 601 HZ2 LYS 102 HZ2 LYS 102 -2.202 -12.289 -53.941 602 HZ3 LYS 102 HZ3 LYS 102 -3.430 -11.885 -55.032 Start of MODEL 7 1 HA2 GLY 1 HA2 GLY 1 -11.502 -13.378 -10.684 2 HA3 GLY 1 HA3 GLY 1 -10.703 -14.147 -12.046 3 H SER 2 H SER 2 -10.285 -11.388 -9.852 4 HA SER 2 HA SER 2 -8.459 -10.367 -9.004 5 HB2 SER 2 HB2 SER 2 -6.876 -11.941 -7.803 6 HB3 SER 2 HB3 SER 2 -8.580 -12.130 -7.401 7 HG SER 2 HG SER 2 -7.873 -13.697 -9.507 8 H MET 3 H MET 3 -7.935 -9.610 -11.188 9 HA MET 3 HA MET 3 -5.180 -10.303 -11.796 10 HB2 MET 3 HB2 MET 3 -5.611 -10.531 -14.202 11 HB3 MET 3 HB3 MET 3 -6.436 -11.773 -13.272 12 HG2 MET 3 HG2 MET 3 -8.528 -10.516 -13.463 13 HG3 MET 3 HG3 MET 3 -7.694 -9.287 -14.414 14 HE1 MET 3 HE1 MET 3 -9.934 -11.050 -17.093 15 HE2 MET 3 HE2 MET 3 -9.492 -9.519 -16.337 16 HE3 MET 3 HE3 MET 3 -10.351 -10.745 -15.407 17 H SER 4 H SER 4 -4.447 -8.817 -13.705 18 HA SER 4 HA SER 4 -5.254 -6.114 -12.978 19 HB2 SER 4 HB2 SER 4 -2.853 -6.705 -12.848 20 HB3 SER 4 HB3 SER 4 -2.865 -7.082 -14.569 21 HG SER 4 HG SER 4 -2.734 -5.046 -15.007 22 H SER 5 H SER 5 -6.280 -4.800 -14.357 23 HA SER 5 HA SER 5 -7.091 -5.892 -16.931 24 HB2 SER 5 HB2 SER 5 -8.050 -3.411 -15.487 25 HB3 SER 5 HB3 SER 5 -8.795 -4.154 -16.903 26 HG SER 5 HG SER 5 -9.581 -5.730 -15.700 27 H VAL 6 H VAL 6 -6.211 -5.210 -18.774 28 HA VAL 6 HA VAL 6 -4.601 -2.754 -18.691 29 HB VAL 6 HB VAL 6 -3.360 -4.906 -19.046 30 HG11 VAL 6 HG11 VAL 6 -4.941 -6.143 -20.349 31 HG12 VAL 6 HG12 VAL 6 -3.453 -5.950 -21.277 32 HG13 VAL 6 HG13 VAL 6 -4.861 -4.955 -21.650 33 HG21 VAL 6 HG21 VAL 6 -3.247 -2.889 -21.269 34 HG22 VAL 6 HG22 VAL 6 -1.996 -4.078 -20.911 35 HG23 VAL 6 HG23 VAL 6 -2.382 -2.824 -19.734 36 H PHE 7 H PHE 7 -4.782 -1.290 -20.437 37 HA PHE 7 HA PHE 7 -6.949 -1.871 -22.333 38 HB2 PHE 7 HB2 PHE 7 -7.791 0.420 -22.126 39 HB3 PHE 7 HB3 PHE 7 -7.840 -0.405 -20.574 40 HD1 PHE 7 HD1 PHE 7 -6.443 2.348 -22.472 41 HD2 PHE 7 HD2 PHE 7 -6.206 0.189 -18.811 42 HE1 PHE 7 HE1 PHE 7 -5.176 4.201 -21.467 43 HE2 PHE 7 HE2 PHE 7 -4.939 2.038 -17.799 44 HZ PHE 7 HZ PHE 7 -4.424 4.048 -19.127 45 H GLY 8 H GLY 8 -3.808 -1.149 -22.014 46 HA2 GLY 8 HA2 GLY 8 -3.706 -0.187 -24.767 47 HA3 GLY 8 HA3 GLY 8 -2.966 0.817 -23.535 48 H ALA 9 H ALA 9 -1.884 -1.251 -21.951 49 HA ALA 9 HA ALA 9 0.480 -1.799 -23.518 50 HB1 ALA 9 HB1 ALA 9 1.452 -2.594 -21.438 51 HB2 ALA 9 HB2 ALA 9 -0.126 -2.526 -20.655 52 HB3 ALA 9 HB3 ALA 9 0.656 -1.040 -21.193 53 H GLY 10 H GLY 10 -2.307 -3.308 -23.570 54 HA2 GLY 10 HA2 GLY 10 -1.486 -6.046 -23.153 55 HA3 GLY 10 HA3 GLY 10 -3.057 -5.496 -23.722 56 H CYS 11 H CYS 11 0.302 -5.490 -24.772 57 HA CYS 11 HA CYS 11 -0.538 -5.581 -27.536 58 HB2 CYS 11 HB2 CYS 11 1.491 -4.310 -26.405 59 HB3 CYS 11 HB3 CYS 11 2.320 -5.825 -26.751 60 H THR 12 H THR 12 1.260 -7.117 -28.833 61 HA THR 12 HA THR 12 1.115 -9.793 -27.661 62 HB THR 12 HB THR 12 -0.963 -9.601 -28.929 63 HG1 THR 12 HG1 THR 12 -0.184 -11.640 -29.128 64 HG21 THR 12 HG21 THR 12 -0.380 -7.839 -30.481 65 HG22 THR 12 HG22 THR 12 -0.869 -9.259 -31.407 66 HG23 THR 12 HG23 THR 12 0.837 -8.860 -31.239 67 H ASP 13 H ASP 13 2.449 -11.348 -28.720 68 HA ASP 13 HA ASP 13 4.928 -10.375 -29.714 69 HB2 ASP 13 HB2 ASP 13 4.866 -12.436 -28.446 70 HB3 ASP 13 HB3 ASP 13 3.756 -13.163 -29.600 71 H THR 14 H THR 14 1.987 -11.513 -31.161 72 HA THR 14 HA THR 14 2.873 -12.098 -33.762 73 HB THR 14 HB THR 14 0.177 -11.013 -32.913 74 HG1 THR 14 HG1 THR 14 1.386 -13.550 -32.725 75 HG21 THR 14 HG21 THR 14 1.078 -12.613 -35.309 76 HG22 THR 14 HG22 THR 14 0.351 -10.998 -35.307 77 HG23 THR 14 HG23 THR 14 -0.614 -12.400 -34.854 78 H CYS 15 H CYS 15 2.622 -9.174 -32.116 79 HA CYS 15 HA CYS 15 2.260 -7.508 -34.436 80 HB2 CYS 15 HB2 CYS 15 1.288 -6.958 -32.253 81 HB3 CYS 15 HB3 CYS 15 2.908 -6.845 -31.572 82 H LYS 16 H LYS 16 4.800 -9.132 -33.007 83 HA LYS 16 HA LYS 16 6.795 -7.124 -33.781 84 HB2 LYS 16 HB2 LYS 16 7.137 -9.663 -32.195 85 HB3 LYS 16 HB3 LYS 16 8.339 -8.401 -32.429 86 HG2 LYS 16 HG2 LYS 16 7.095 -6.857 -31.132 87 HG3 LYS 16 HG3 LYS 16 5.699 -7.934 -31.084 88 HD2 LYS 16 HD2 LYS 16 6.805 -8.079 -28.988 89 HD3 LYS 16 HD3 LYS 16 7.101 -9.577 -29.868 90 HE2 LYS 16 HE2 LYS 16 9.313 -8.828 -30.489 91 HE3 LYS 16 HE3 LYS 16 9.021 -7.255 -29.744 92 HZ1 LYS 16 HZ1 LYS 16 10.322 -8.646 -28.294 93 HZ2 LYS 16 HZ2 LYS 16 9.151 -9.861 -28.336 94 HZ3 LYS 16 HZ3 LYS 16 8.804 -8.378 -27.603 95 H GLN 17 H GLN 17 5.227 -9.015 -35.520 96 HA GLN 17 HA GLN 17 7.316 -10.756 -36.568 97 HB2 GLN 17 HB2 GLN 17 4.521 -10.400 -37.649 98 HB3 GLN 17 HB3 GLN 17 5.635 -11.711 -37.980 99 HG2 GLN 17 HG2 GLN 17 4.258 -11.131 -35.379 100 HG3 GLN 17 HG3 GLN 17 3.898 -12.442 -36.496 101 HE21 GLN 17 HE21 GLN 17 5.961 -11.305 -34.002 102 HE22 GLN 17 HE22 GLN 17 6.856 -12.765 -33.803 103 H THR 18 H THR 18 7.598 -10.797 -38.971 104 HA THR 18 HA THR 18 7.191 -8.267 -40.337 105 HB THR 18 HB THR 18 9.755 -8.534 -41.038 106 HG1 THR 18 HG1 THR 18 9.450 -10.076 -38.804 107 HG21 THR 18 HG21 THR 18 10.312 -6.803 -39.397 108 HG22 THR 18 HG22 THR 18 8.859 -7.193 -38.479 109 HG23 THR 18 HG23 THR 18 8.721 -6.506 -40.097 110 HA PRO 19 HA PRO 19 6.064 -7.827 -41.972 111 HB2 PRO 19 HB2 PRO 19 3.739 -8.795 -43.013 112 HB3 PRO 19 HB3 PRO 19 5.068 -8.165 -43.995 113 HG2 PRO 19 HG2 PRO 19 4.383 -11.005 -43.338 114 HG3 PRO 19 HG3 PRO 19 4.876 -10.305 -44.892 115 HD2 PRO 19 HD2 PRO 19 6.604 -11.649 -43.332 116 HD3 PRO 19 HD3 PRO 19 7.113 -10.251 -44.303 117 H CYS 20 H CYS 20 4.380 -7.199 -40.618 118 HA CYS 20 HA CYS 20 4.217 -8.613 -38.230 119 HB2 CYS 20 HB2 CYS 20 3.901 -6.112 -38.699 120 HB3 CYS 20 HB3 CYS 20 2.225 -6.532 -39.041 121 H GLY 21 H GLY 21 2.577 -9.778 -37.238 122 HA2 GLY 21 HA2 GLY 21 0.946 -11.276 -39.104 123 HA3 GLY 21 HA3 GLY 21 1.182 -11.629 -37.402 124 H CYS 22 H CYS 22 0.493 -8.599 -37.033 125 HA CYS 22 HA CYS 22 -2.187 -9.090 -36.320 126 HB2 CYS 22 HB2 CYS 22 -0.512 -6.607 -36.365 127 HB3 CYS 22 HB3 CYS 22 -2.226 -6.540 -35.965 128 H GLY 23 H GLY 23 -0.848 -8.336 -39.304 129 HA2 GLY 23 HA2 GLY 23 -2.856 -6.689 -40.430 130 HA3 GLY 23 HA3 GLY 23 -1.767 -7.739 -41.329 131 H SER 24 H SER 24 -2.863 -9.946 -39.476 132 HA SER 24 HA SER 24 -5.207 -10.560 -41.132 133 HB2 SER 24 HB2 SER 24 -3.524 -12.449 -39.479 134 HB3 SER 24 HB3 SER 24 -4.727 -12.878 -40.695 135 HG SER 24 HG SER 24 -2.224 -11.595 -41.100 136 H GLY 25 H GLY 25 -4.607 -9.201 -38.261 137 HA2 GLY 25 HA2 GLY 25 -6.917 -9.089 -37.052 138 HA3 GLY 25 HA3 GLY 25 -6.519 -10.766 -36.696 139 H CYS 26 H CYS 26 -6.358 -7.687 -35.556 140 HA CYS 26 HA CYS 26 -3.822 -7.678 -34.300 141 HB2 CYS 26 HB2 CYS 26 -6.312 -6.067 -33.965 142 HB3 CYS 26 HB3 CYS 26 -4.962 -5.882 -32.849 143 H ASN 27 H ASN 27 -3.290 -7.894 -32.204 144 HA ASN 27 HA ASN 27 -5.268 -9.032 -30.380 145 HB2 ASN 27 HB2 ASN 27 -3.770 -10.843 -31.326 146 HB3 ASN 27 HB3 ASN 27 -2.406 -10.019 -30.585 147 HD21 ASN 27 HD21 ASN 27 -5.335 -11.812 -29.987 148 HD22 ASN 27 HD22 ASN 27 -4.964 -12.251 -28.357 149 H CYS 28 H CYS 28 -3.265 -6.577 -31.122 150 HA CYS 28 HA CYS 28 -2.434 -6.045 -28.378 151 HB2 CYS 28 HB2 CYS 28 -1.021 -4.281 -29.303 152 HB3 CYS 28 HB3 CYS 28 -0.707 -5.795 -30.136 153 H LYS 29 H LYS 29 -2.414 -3.253 -28.485 154 HA LYS 29 HA LYS 29 -5.302 -2.705 -28.574 155 HB2 LYS 29 HB2 LYS 29 -3.298 -1.450 -26.700 156 HB3 LYS 29 HB3 LYS 29 -5.049 -1.296 -26.647 157 HG2 LYS 29 HG2 LYS 29 -3.475 -3.815 -26.129 158 HG3 LYS 29 HG3 LYS 29 -4.255 -2.803 -24.913 159 HD2 LYS 29 HD2 LYS 29 -5.701 -4.226 -27.150 160 HD3 LYS 29 HD3 LYS 29 -5.559 -4.835 -25.502 161 HE2 LYS 29 HE2 LYS 29 -6.692 -2.830 -24.667 162 HE3 LYS 29 HE3 LYS 29 -6.849 -2.233 -26.316 163 HZ1 LYS 29 HZ1 LYS 29 -8.207 -4.158 -26.850 164 HZ2 LYS 29 HZ2 LYS 29 -8.885 -3.292 -25.567 165 HZ3 LYS 29 HZ3 LYS 29 -8.061 -4.731 -25.267 166 H GLU 30 H GLU 30 -5.855 -0.385 -28.882 167 HA GLU 30 HA GLU 30 -4.423 0.623 -31.139 168 HB2 GLU 30 HB2 GLU 30 -6.106 2.432 -31.139 169 HB3 GLU 30 HB3 GLU 30 -6.812 0.824 -31.112 170 HG2 GLU 30 HG2 GLU 30 -7.117 1.081 -28.657 171 HG3 GLU 30 HG3 GLU 30 -6.579 2.753 -28.824 172 H ASP 31 H ASP 31 -3.553 0.771 -28.089 173 HA ASP 31 HA ASP 31 -2.642 3.490 -27.876 174 HB2 ASP 31 HB2 ASP 31 -3.005 2.204 -25.845 175 HB3 ASP 31 HB3 ASP 31 -1.912 0.944 -26.398 176 H CYS 32 H CYS 32 -1.758 0.697 -29.510 177 HA CYS 32 HA CYS 32 1.061 1.125 -29.675 178 HB2 CYS 32 HB2 CYS 32 -0.239 -1.082 -29.825 179 HB3 CYS 32 HB3 CYS 32 -0.614 -0.604 -31.476 180 H ARG 33 H ARG 33 2.186 1.601 -31.687 181 HA ARG 33 HA ARG 33 0.600 3.286 -33.523 182 HB2 ARG 33 HB2 ARG 33 3.402 3.851 -32.543 183 HB3 ARG 33 HB3 ARG 33 2.463 4.852 -33.642 184 HG2 ARG 33 HG2 ARG 33 1.811 4.285 -30.760 185 HG3 ARG 33 HG3 ARG 33 2.471 5.787 -31.408 186 HD2 ARG 33 HD2 ARG 33 0.472 6.198 -32.660 187 HD3 ARG 33 HD3 ARG 33 -0.167 4.605 -32.258 188 HE ARG 33 HE ARG 33 0.312 5.910 -29.870 189 HH11 ARG 33 HH11 ARG 33 -1.731 6.344 -32.677 190 HH12 ARG 33 HH12 ARG 33 -3.023 7.073 -31.796 191 HH21 ARG 33 HH21 ARG 33 -1.394 6.886 -28.687 192 HH22 ARG 33 HH22 ARG 33 -2.829 7.389 -29.507 193 H CYS 34 H CYS 34 1.588 0.476 -33.723 194 HA CYS 34 HA CYS 34 3.752 0.433 -35.572 195 HB2 CYS 34 HB2 CYS 34 2.884 -1.492 -34.108 196 HB3 CYS 34 HB3 CYS 34 1.622 -1.674 -35.325 197 H GLN 35 H GLN 35 3.702 0.989 -37.692 198 HA GLN 35 HA GLN 35 1.384 1.936 -38.966 199 HB2 GLN 35 HB2 GLN 35 4.000 1.015 -40.176 200 HB3 GLN 35 HB3 GLN 35 2.724 1.784 -41.097 201 HG2 GLN 35 HG2 GLN 35 4.112 3.554 -40.693 202 HG3 GLN 35 HG3 GLN 35 2.994 3.692 -39.340 203 HE21 GLN 35 HE21 GLN 35 3.711 3.245 -37.262 204 HE22 GLN 35 HE22 GLN 35 5.393 3.091 -36.888 205 H SER 36 H SER 36 2.629 -1.237 -38.640 206 HA SER 36 HA SER 36 1.591 -2.499 -40.891 207 HB2 SER 36 HB2 SER 36 1.967 -3.705 -38.160 208 HB3 SER 36 HB3 SER 36 1.948 -4.555 -39.706 209 HG SER 36 HG SER 36 4.020 -3.502 -38.484 210 H CYS 37 H CYS 37 0.103 -2.009 -37.709 211 HA CYS 37 HA CYS 37 -2.451 -2.887 -38.877 212 HB2 CYS 37 HB2 CYS 37 -2.834 -3.460 -36.303 213 HB3 CYS 37 HB3 CYS 37 -2.095 -4.605 -37.419 214 H LYS 38 H LYS 38 -1.197 -0.219 -38.558 215 HA LYS 38 HA LYS 38 -2.592 1.081 -36.401 216 HB2 LYS 38 HB2 LYS 38 -0.313 1.607 -37.826 217 HB3 LYS 38 HB3 LYS 38 -1.446 2.803 -38.439 218 HG2 LYS 38 HG2 LYS 38 -1.822 2.922 -35.717 219 HG3 LYS 38 HG3 LYS 38 -0.082 2.645 -35.901 220 HD2 LYS 38 HD2 LYS 38 -1.617 4.764 -37.372 221 HD3 LYS 38 HD3 LYS 38 -0.729 5.037 -35.872 222 HE2 LYS 38 HE2 LYS 38 1.333 4.320 -36.949 223 HE3 LYS 38 HE3 LYS 38 0.457 4.008 -38.444 224 HZ1 LYS 38 HZ1 LYS 38 -0.085 6.350 -38.579 225 HZ2 LYS 38 HZ2 LYS 38 1.588 6.137 -38.486 226 HZ3 LYS 38 HZ3 LYS 38 0.727 6.648 -37.127 227 H TYR 39 H TYR 39 -3.581 0.071 -39.369 228 HA TYR 39 HA TYR 39 -4.902 2.275 -40.471 229 HB2 TYR 39 HB2 TYR 39 -5.851 -0.599 -40.614 230 HB3 TYR 39 HB3 TYR 39 -6.256 0.702 -41.721 231 HD1 TYR 39 HD1 TYR 39 -3.916 -1.915 -40.993 232 HD2 TYR 39 HD2 TYR 39 -4.384 1.755 -43.096 233 HE1 TYR 39 HE1 TYR 39 -1.962 -2.467 -42.379 234 HE2 TYR 39 HE2 TYR 39 -2.433 1.210 -44.490 235 HH TYR 39 HH TYR 39 -1.044 -1.875 -44.607 236 H GLY 40 H GLY 40 -6.428 -0.340 -38.586 237 HA2 GLY 40 HA2 GLY 40 -8.224 -0.332 -37.163 238 HA3 GLY 40 HA3 GLY 40 -7.693 1.279 -36.715 239 H ALA 41 H ALA 41 -9.162 2.779 -36.945 240 HA ALA 41 HA ALA 41 -11.581 2.317 -38.399 241 HB1 ALA 41 HB1 ALA 41 -11.564 3.542 -36.286 242 HB2 ALA 41 HB2 ALA 41 -12.225 4.532 -37.585 243 HB3 ALA 41 HB3 ALA 41 -10.579 4.805 -37.019 244 H GLY 42 H GLY 42 -8.563 3.284 -39.362 245 HA2 GLY 42 HA2 GLY 42 -9.218 5.307 -41.262 246 HA3 GLY 42 HA3 GLY 42 -7.736 4.358 -41.220 247 H CYS 43 H CYS 43 -8.861 1.800 -41.412 248 HA CYS 43 HA CYS 43 -9.642 1.815 -44.223 249 HB2 CYS 43 HB2 CYS 43 -7.780 0.344 -43.258 250 HB3 CYS 43 HB3 CYS 43 -9.050 -0.584 -42.477 251 H THR 44 H THR 44 -11.491 0.298 -44.870 252 HA THR 44 HA THR 44 -13.774 1.075 -43.384 253 HB THR 44 HB THR 44 -15.040 -0.430 -44.924 254 HG1 THR 44 HG1 THR 44 -12.833 -0.822 -46.547 255 HG21 THR 44 HG21 THR 44 -13.071 1.481 -46.182 256 HG22 THR 44 HG22 THR 44 -14.667 1.878 -45.544 257 HG23 THR 44 HG23 THR 44 -14.516 0.856 -46.974 258 H ASP 45 H ASP 45 -15.115 -0.017 -42.059 259 HA ASP 45 HA ASP 45 -14.035 -2.247 -40.631 260 HB2 ASP 45 HB2 ASP 45 -16.711 -0.848 -40.444 261 HB3 ASP 45 HB3 ASP 45 -16.212 -2.153 -39.378 262 H VAL 46 H VAL 46 -16.173 -1.800 -43.285 263 HA VAL 46 HA VAL 46 -17.576 -4.245 -43.227 264 HB VAL 46 HB VAL 46 -16.662 -2.715 -45.684 265 HG11 VAL 46 HG11 VAL 46 -18.567 -3.755 -46.801 266 HG12 VAL 46 HG12 VAL 46 -18.973 -4.625 -45.323 267 HG13 VAL 46 HG13 VAL 46 -17.472 -4.986 -46.171 268 HG21 VAL 46 HG21 VAL 46 -19.189 -2.417 -44.064 269 HG22 VAL 46 HG22 VAL 46 -18.856 -1.608 -45.593 270 HG23 VAL 46 HG23 VAL 46 -17.875 -1.247 -44.172 271 H CYS 47 H CYS 47 -14.408 -3.327 -44.244 272 HA CYS 47 HA CYS 47 -13.690 -5.821 -45.431 273 HB2 CYS 47 HB2 CYS 47 -12.597 -3.774 -46.149 274 HB3 CYS 47 HB3 CYS 47 -12.125 -3.417 -44.501 275 H LYS 48 H LYS 48 -13.908 -4.591 -42.246 276 HA LYS 48 HA LYS 48 -11.980 -6.502 -41.156 277 HB2 LYS 48 HB2 LYS 48 -13.595 -4.448 -39.639 278 HB3 LYS 48 HB3 LYS 48 -12.140 -5.278 -39.104 279 HG2 LYS 48 HG2 LYS 48 -12.231 -3.342 -41.406 280 HG3 LYS 48 HG3 LYS 48 -11.794 -2.904 -39.757 281 HD2 LYS 48 HD2 LYS 48 -9.825 -4.208 -39.828 282 HD3 LYS 48 HD3 LYS 48 -10.362 -5.081 -41.264 283 HE2 LYS 48 HE2 LYS 48 -9.754 -2.132 -41.203 284 HE3 LYS 48 HE3 LYS 48 -8.599 -3.364 -41.694 285 HZ1 LYS 48 HZ1 LYS 48 -9.673 -2.420 -43.624 286 HZ2 LYS 48 HZ2 LYS 48 -11.202 -2.774 -43.003 287 HZ3 LYS 48 HZ3 LYS 48 -10.163 -4.031 -43.460 288 H GLN 49 H GLN 49 -14.952 -6.766 -42.205 289 HA GLN 49 HA GLN 49 -16.406 -7.833 -40.022 290 HB2 GLN 49 HB2 GLN 49 -16.726 -7.966 -43.001 291 HB3 GLN 49 HB3 GLN 49 -17.790 -8.858 -41.925 292 HG2 GLN 49 HG2 GLN 49 -18.472 -6.777 -40.874 293 HG3 GLN 49 HG3 GLN 49 -17.379 -5.885 -41.926 294 HE21 GLN 49 HE21 GLN 49 -19.213 -4.708 -42.657 295 HE22 GLN 49 HE22 GLN 49 -20.274 -5.381 -43.847 296 H THR 50 H THR 50 -17.222 -10.089 -40.052 297 HA THR 50 HA THR 50 -15.375 -12.054 -41.137 298 HB THR 50 HB THR 50 -16.156 -12.041 -38.209 299 HG1 THR 50 HG1 THR 50 -14.239 -10.676 -39.446 300 HG21 THR 50 HG21 THR 50 -15.849 -14.276 -39.190 301 HG22 THR 50 HG22 THR 50 -14.573 -13.899 -38.030 302 HG23 THR 50 HG23 THR 50 -14.248 -13.802 -39.762 303 HA PRO 51 HA PRO 51 -15.597 -13.355 -42.571 304 HB2 PRO 51 HB2 PRO 51 -16.919 -13.800 -44.875 305 HB3 PRO 51 HB3 PRO 51 -16.635 -15.085 -43.696 306 HG2 PRO 51 HG2 PRO 51 -19.098 -13.440 -44.148 307 HG3 PRO 51 HG3 PRO 51 -18.955 -15.188 -43.887 308 HD2 PRO 51 HD2 PRO 51 -19.652 -13.464 -41.907 309 HD3 PRO 51 HD3 PRO 51 -18.746 -14.958 -41.604 310 H CYS 52 H CYS 52 -14.762 -11.955 -44.179 311 HA CYS 52 HA CYS 52 -15.503 -9.279 -43.990 312 HB2 CYS 52 HB2 CYS 52 -13.254 -10.100 -44.712 313 HB3 CYS 52 HB3 CYS 52 -13.965 -10.557 -46.251 314 H GLY 53 H GLY 53 -16.861 -7.988 -45.087 315 HA2 GLY 53 HA2 GLY 53 -18.378 -9.234 -47.290 316 HA3 GLY 53 HA3 GLY 53 -19.077 -8.107 -46.138 317 H CYS 54 H CYS 54 -15.883 -7.530 -47.282 318 HA CYS 54 HA CYS 54 -16.618 -4.970 -48.203 319 HB2 CYS 54 HB2 CYS 54 -14.353 -5.749 -47.294 320 HB3 CYS 54 HB3 CYS 54 -14.048 -6.329 -48.933 321 H ALA 55 H ALA 55 -15.483 -7.851 -49.973 322 HA ALA 55 HA ALA 55 -15.856 -6.670 -52.530 323 HB1 ALA 55 HB1 ALA 55 -15.701 -9.594 -51.793 324 HB2 ALA 55 HB2 ALA 55 -14.328 -8.549 -52.160 325 HB3 ALA 55 HB3 ALA 55 -15.513 -8.921 -53.412 326 H THR 56 H THR 56 -18.020 -7.821 -50.262 327 HA THR 56 HA THR 56 -20.067 -8.611 -52.154 328 HB THR 56 HB THR 56 -20.312 -8.320 -49.154 329 HG1 THR 56 HG1 THR 56 -19.753 -10.550 -49.099 330 HG21 THR 56 HG21 THR 56 -21.824 -9.995 -51.170 331 HG22 THR 56 HG22 THR 56 -22.430 -8.542 -50.376 332 HG23 THR 56 HG23 THR 56 -22.095 -9.990 -49.427 333 H SER 57 H SER 57 -19.184 -5.872 -50.153 334 HA SER 57 HA SER 57 -21.696 -4.528 -50.881 335 HB2 SER 57 HB2 SER 57 -21.156 -4.789 -48.440 336 HB3 SER 57 HB3 SER 57 -19.752 -3.758 -48.697 337 HG SER 57 HG SER 57 -21.413 -2.236 -49.614 338 H GLY 58 H GLY 58 -18.568 -4.725 -51.869 339 HA2 GLY 58 HA2 GLY 58 -17.983 -3.297 -53.774 340 HA3 GLY 58 HA3 GLY 58 -18.588 -1.939 -52.835 341 H CYS 59 H CYS 59 -15.931 -4.028 -53.457 342 HA CYS 59 HA CYS 59 -14.262 -3.700 -51.289 343 HB2 CYS 59 HB2 CYS 59 -13.830 -5.140 -53.299 344 HB3 CYS 59 HB3 CYS 59 -13.403 -3.691 -54.196 345 H ASN 60 H ASN 60 -13.590 -1.938 -50.312 346 HA ASN 60 HA ASN 60 -13.709 0.617 -51.700 347 HB2 ASN 60 HB2 ASN 60 -14.696 0.323 -49.434 348 HB3 ASN 60 HB3 ASN 60 -13.071 0.080 -48.805 349 HD21 ASN 60 HD21 ASN 60 -15.335 2.343 -50.064 350 HD22 ASN 60 HD22 ASN 60 -14.443 3.775 -49.688 351 H CYS 61 H CYS 61 -11.337 -1.395 -50.050 352 HA CYS 61 HA CYS 61 -9.226 0.507 -50.574 353 HB2 CYS 61 HB2 CYS 61 -7.840 -1.347 -49.465 354 HB3 CYS 61 HB3 CYS 61 -9.042 -0.531 -48.475 355 H THR 62 H THR 62 -7.114 -1.296 -51.071 356 HA THR 62 HA THR 62 -7.829 -2.231 -53.750 357 HB THR 62 HB THR 62 -5.372 -1.795 -54.290 358 HG1 THR 62 HG1 THR 62 -5.253 0.176 -52.369 359 HG21 THR 62 HG21 THR 62 -7.133 0.572 -53.621 360 HG22 THR 62 HG22 THR 62 -7.169 -0.352 -55.123 361 HG23 THR 62 HG23 THR 62 -5.744 0.600 -54.707 362 H ASP 63 H ASP 63 -6.141 -3.844 -54.573 363 HA ASP 63 HA ASP 63 -6.208 -6.145 -52.928 364 HB2 ASP 63 HB2 ASP 63 -4.635 -5.587 -55.450 365 HB3 ASP 63 HB3 ASP 63 -4.822 -7.177 -54.718 366 H ASP 64 H ASP 64 -4.232 -3.544 -52.784 367 HA ASP 64 HA ASP 64 -1.751 -4.741 -52.008 368 HB2 ASP 64 HB2 ASP 64 -2.103 -2.411 -52.987 369 HB3 ASP 64 HB3 ASP 64 -2.714 -1.937 -51.408 370 H CYS 65 H CYS 65 -4.766 -4.443 -50.481 371 HA CYS 65 HA CYS 65 -3.858 -4.007 -47.795 372 HB2 CYS 65 HB2 CYS 65 -6.250 -3.604 -48.643 373 HB3 CYS 65 HB3 CYS 65 -6.457 -5.350 -48.593 374 H LYS 66 H LYS 66 -4.472 -5.803 -46.111 375 HA LYS 66 HA LYS 66 -2.979 -8.176 -46.977 376 HB2 LYS 66 HB2 LYS 66 -3.567 -7.073 -44.235 377 HB3 LYS 66 HB3 LYS 66 -2.753 -8.603 -44.518 378 HG2 LYS 66 HG2 LYS 66 -1.766 -5.893 -45.390 379 HG3 LYS 66 HG3 LYS 66 -1.167 -6.829 -44.021 380 HD2 LYS 66 HD2 LYS 66 0.369 -7.545 -45.515 381 HD3 LYS 66 HD3 LYS 66 -0.914 -8.652 -45.998 382 HE2 LYS 66 HE2 LYS 66 0.027 -7.626 -47.965 383 HE3 LYS 66 HE3 LYS 66 -1.607 -7.013 -47.732 384 HZ1 LYS 66 HZ1 LYS 66 0.026 -5.283 -48.317 385 HZ2 LYS 66 HZ2 LYS 66 0.852 -5.599 -46.880 386 HZ3 LYS 66 HZ3 LYS 66 -0.726 -4.994 -46.829 387 H CYS 67 H CYS 67 -5.894 -7.593 -47.374 388 HA CYS 67 HA CYS 67 -6.941 -9.935 -45.969 389 HB2 CYS 67 HB2 CYS 67 -7.953 -7.573 -45.625 390 HB3 CYS 67 HB3 CYS 67 -8.655 -7.817 -47.221 391 H GLN 68 H GLN 68 -6.840 -11.647 -47.278 392 HA GLN 68 HA GLN 68 -6.858 -11.394 -50.141 393 HB2 GLN 68 HB2 GLN 68 -7.089 -14.006 -48.644 394 HB3 GLN 68 HB3 GLN 68 -6.415 -13.730 -50.240 395 HG2 GLN 68 HG2 GLN 68 -4.506 -14.011 -49.007 396 HG3 GLN 68 HG3 GLN 68 -4.689 -12.259 -48.931 397 HE21 GLN 68 HE21 GLN 68 -6.531 -14.692 -47.165 398 HE22 GLN 68 HE22 GLN 68 -6.010 -14.209 -45.591 399 H SER 69 H SER 69 -9.287 -11.255 -47.991 400 HA SER 69 HA SER 69 -11.252 -12.953 -49.119 401 HB2 SER 69 HB2 SER 69 -11.759 -10.418 -47.564 402 HB3 SER 69 HB3 SER 69 -12.777 -11.856 -47.661 403 HG SER 69 HG SER 69 -10.840 -11.312 -45.923 404 H CYS 70 H CYS 70 -10.549 -9.483 -49.455 405 HA CYS 70 HA CYS 70 -12.437 -9.341 -51.679 406 HB2 CYS 70 HB2 CYS 70 -11.857 -6.802 -51.340 407 HB3 CYS 70 HB3 CYS 70 -12.985 -7.630 -50.267 408 H SER 71 H SER 71 -9.135 -9.697 -51.145 409 HA SER 71 HA SER 71 -8.308 -8.178 -53.478 410 HB2 SER 71 HB2 SER 71 -6.668 -9.862 -51.572 411 HB3 SER 71 HB3 SER 71 -6.023 -8.820 -52.841 412 HG SER 71 HG SER 71 -7.264 -8.138 -50.419 413 H THR 72 H THR 72 -7.150 -9.087 -55.223 414 HA THR 72 HA THR 72 -8.321 -11.345 -56.391 415 HB THR 72 HB THR 72 -6.292 -11.152 -57.992 416 HG1 THR 72 HG1 THR 72 -6.022 -8.665 -56.628 417 HG21 THR 72 HG21 THR 72 -8.498 -10.262 -58.530 418 HG22 THR 72 HG22 THR 72 -7.235 -9.141 -59.046 419 HG23 THR 72 HG23 THR 72 -8.159 -8.814 -57.580 420 H ALA 73 H ALA 73 -7.939 -13.422 -56.187 421 HA ALA 73 HA ALA 73 -5.960 -14.467 -54.478 422 HB1 ALA 73 HB1 ALA 73 -6.700 -16.659 -55.341 423 HB2 ALA 73 HB2 ALA 73 -7.659 -15.831 -56.566 424 HB3 ALA 73 HB3 ALA 73 -8.053 -15.635 -54.858 425 H CYS 74 H CYS 74 -4.000 -15.327 -54.899 426 HA CYS 74 HA CYS 74 -2.464 -14.589 -57.076 427 HB2 CYS 74 HB2 CYS 74 -1.846 -15.648 -54.744 428 HB3 CYS 74 HB3 CYS 74 -1.940 -17.159 -55.639 429 H LYS 75 H LYS 75 -1.821 -15.691 -58.964 430 HA LYS 75 HA LYS 75 -3.839 -17.543 -59.937 431 HB2 LYS 75 HB2 LYS 75 -1.544 -16.234 -61.407 432 HB3 LYS 75 HB3 LYS 75 -2.821 -17.186 -62.146 433 HG2 LYS 75 HG2 LYS 75 -3.175 -14.557 -60.708 434 HG3 LYS 75 HG3 LYS 75 -3.218 -14.802 -62.453 435 HD2 LYS 75 HD2 LYS 75 -5.200 -16.225 -62.208 436 HD3 LYS 75 HD3 LYS 75 -5.146 -16.011 -60.456 437 HE2 LYS 75 HE2 LYS 75 -5.463 -13.593 -60.764 438 HE3 LYS 75 HE3 LYS 75 -5.558 -13.839 -62.507 439 HZ1 LYS 75 HZ1 LYS 75 -7.747 -13.669 -61.561 440 HZ2 LYS 75 HZ2 LYS 75 -7.434 -14.923 -60.478 441 HZ3 LYS 75 HZ3 LYS 75 -7.514 -15.243 -62.134 442 H CYS 76 H CYS 76 -1.507 -18.065 -58.065 443 HA CYS 76 HA CYS 76 -0.212 -20.279 -59.429 444 HB2 CYS 76 HB2 CYS 76 0.186 -19.144 -56.657 445 HB3 CYS 76 HB3 CYS 76 1.143 -20.427 -57.388 446 H ALA 77 H ALA 77 0.020 -22.305 -58.113 447 HA ALA 77 HA ALA 77 -2.481 -22.957 -56.717 448 HB1 ALA 77 HB1 ALA 77 -2.455 -23.907 -59.001 449 HB2 ALA 77 HB2 ALA 77 -2.461 -25.149 -57.753 450 HB3 ALA 77 HB3 ALA 77 -0.966 -24.765 -58.607 451 H ALA 78 H ALA 78 -2.115 -25.137 -55.483 452 HA ALA 78 HA ALA 78 -0.300 -24.642 -53.443 453 HB1 ALA 78 HB1 ALA 78 -2.263 -26.079 -53.198 454 HB2 ALA 78 HB2 ALA 78 -0.796 -26.874 -52.627 455 HB3 ALA 78 HB3 ALA 78 -1.484 -27.310 -54.192 456 H GLY 79 H GLY 79 0.193 -26.391 -56.424 457 HA2 GLY 79 HA2 GLY 79 2.967 -26.917 -55.555 458 HA3 GLY 79 HA3 GLY 79 2.067 -28.034 -56.569 459 H SER 80 H SER 80 2.015 -24.522 -56.899 460 HA SER 80 HA SER 80 3.908 -24.496 -59.051 461 HB2 SER 80 HB2 SER 80 1.901 -25.450 -60.173 462 HB3 SER 80 HB3 SER 80 0.987 -24.020 -59.704 463 HG SER 80 HG SER 80 3.393 -23.724 -61.131 464 H CYS 81 H CYS 81 4.902 -22.610 -58.822 465 HA CYS 81 HA CYS 81 3.348 -20.235 -58.018 466 HB2 CYS 81 HB2 CYS 81 4.837 -21.123 -56.190 467 HB3 CYS 81 HB3 CYS 81 6.219 -20.870 -57.239 468 H LYS 82 H LYS 82 3.183 -19.051 -59.858 469 HA LYS 82 HA LYS 82 5.055 -19.287 -62.025 470 HB2 LYS 82 HB2 LYS 82 2.640 -17.549 -61.584 471 HB3 LYS 82 HB3 LYS 82 3.696 -17.283 -62.958 472 HG2 LYS 82 HG2 LYS 82 1.826 -18.588 -63.665 473 HG3 LYS 82 HG3 LYS 82 3.253 -19.621 -63.675 474 HD2 LYS 82 HD2 LYS 82 2.596 -20.670 -61.649 475 HD3 LYS 82 HD3 LYS 82 1.302 -19.499 -61.396 476 HE2 LYS 82 HE2 LYS 82 1.428 -21.410 -63.724 477 HE3 LYS 82 HE3 LYS 82 0.539 -21.726 -62.235 478 HZ1 LYS 82 HZ1 LYS 82 0.054 -19.460 -64.097 479 HZ2 LYS 82 HZ2 LYS 82 -0.802 -19.750 -62.670 480 HZ3 LYS 82 HZ3 LYS 82 -0.901 -20.844 -63.955 481 H CYS 83 H CYS 83 4.070 -16.462 -60.155 482 HA CYS 83 HA CYS 83 5.991 -14.713 -61.162 483 HB2 CYS 83 HB2 CYS 83 5.349 -13.346 -59.170 484 HB3 CYS 83 HB3 CYS 83 3.986 -13.984 -60.074 485 H GLY 84 H GLY 84 6.095 -16.981 -58.475 486 HA2 GLY 84 HA2 GLY 84 8.066 -17.990 -57.690 487 HA3 GLY 84 HA3 GLY 84 8.998 -16.706 -58.444 488 H LYS 85 H LYS 85 6.249 -16.025 -56.385 489 HA LYS 85 HA LYS 85 7.955 -14.572 -54.604 490 HB2 LYS 85 HB2 LYS 85 6.043 -13.384 -55.057 491 HB3 LYS 85 HB3 LYS 85 5.056 -14.827 -55.198 492 HG2 LYS 85 HG2 LYS 85 4.267 -13.848 -53.308 493 HG3 LYS 85 HG3 LYS 85 5.394 -15.071 -52.723 494 HD2 LYS 85 HD2 LYS 85 5.668 -12.966 -51.464 495 HD3 LYS 85 HD3 LYS 85 7.113 -13.339 -52.407 496 HE2 LYS 85 HE2 LYS 85 6.363 -10.936 -52.495 497 HE3 LYS 85 HE3 LYS 85 6.563 -11.719 -54.059 498 HZ1 LYS 85 HZ1 LYS 85 4.190 -12.009 -54.221 499 HZ2 LYS 85 HZ2 LYS 85 4.510 -10.383 -53.878 500 HZ3 LYS 85 HZ3 LYS 85 3.956 -11.406 -52.659 501 H GLY 86 H GLY 86 6.129 -17.537 -54.735 502 HA2 GLY 86 HA2 GLY 86 6.823 -19.359 -53.310 503 HA3 GLY 86 HA3 GLY 86 7.086 -18.186 -52.025 504 H CYS 87 H CYS 87 4.373 -17.252 -53.604 505 HA CYS 87 HA CYS 87 2.726 -18.416 -51.526 506 HB2 CYS 87 HB2 CYS 87 1.009 -16.767 -52.557 507 HB3 CYS 87 HB3 CYS 87 2.334 -16.130 -51.593 508 H THR 88 H THR 88 2.483 -20.474 -52.243 509 HA THR 88 HA THR 88 1.637 -21.056 -54.901 510 HB THR 88 HB THR 88 1.387 -23.402 -53.987 511 HG1 THR 88 HG1 THR 88 1.045 -22.917 -51.820 512 HG21 THR 88 HG21 THR 88 3.437 -22.669 -55.099 513 HG22 THR 88 HG22 THR 88 3.807 -23.763 -53.769 514 HG23 THR 88 HG23 THR 88 4.048 -22.026 -53.573 515 H GLY 89 H GLY 89 -0.159 -19.406 -54.323 516 HA2 GLY 89 HA2 GLY 89 -2.542 -19.949 -54.878 517 HA3 GLY 89 HA3 GLY 89 -2.511 -20.951 -53.436 518 HA PRO 90 HA PRO 90 -4.008 -16.422 -52.750 519 HB2 PRO 90 HB2 PRO 90 -6.444 -17.249 -51.725 520 HB3 PRO 90 HB3 PRO 90 -6.171 -16.729 -53.391 521 HG2 PRO 90 HG2 PRO 90 -6.238 -19.496 -52.257 522 HG3 PRO 90 HG3 PRO 90 -6.967 -18.893 -53.761 523 HD2 PRO 90 HD2 PRO 90 -4.706 -20.281 -53.830 524 HD3 PRO 90 HD3 PRO 90 -4.902 -18.849 -54.868 525 H ASP 91 H ASP 91 -4.333 -19.393 -50.854 526 HA ASP 91 HA ASP 91 -4.667 -18.168 -48.341 527 HB2 ASP 91 HB2 ASP 91 -5.173 -20.541 -48.779 528 HB3 ASP 91 HB3 ASP 91 -3.451 -20.869 -48.938 529 H SER 92 H SER 92 -1.819 -18.934 -50.207 530 HA SER 92 HA SER 92 -0.096 -18.159 -47.988 531 HB2 SER 92 HB2 SER 92 0.464 -20.192 -49.328 532 HB3 SER 92 HB3 SER 92 0.686 -19.159 -50.738 533 HG SER 92 HG SER 92 2.224 -17.991 -49.240 534 H CYS 93 H CYS 93 -1.729 -16.716 -50.486 535 HA CYS 93 HA CYS 93 0.285 -14.747 -51.165 536 HB2 CYS 93 HB2 CYS 93 -1.552 -15.661 -52.738 537 HB3 CYS 93 HB3 CYS 93 -2.659 -14.627 -51.850 538 H LYS 94 H LYS 94 0.478 -14.338 -48.795 539 HA LYS 94 HA LYS 94 -1.607 -12.602 -47.678 540 HB2 LYS 94 HB2 LYS 94 0.815 -13.926 -46.431 541 HB3 LYS 94 HB3 LYS 94 -0.253 -12.840 -45.565 542 HG2 LYS 94 HG2 LYS 94 -1.215 -15.386 -46.863 543 HG3 LYS 94 HG3 LYS 94 -0.617 -15.322 -45.207 544 HD2 LYS 94 HD2 LYS 94 -2.963 -13.750 -46.298 545 HD3 LYS 94 HD3 LYS 94 -3.074 -15.197 -45.296 546 HE2 LYS 94 HE2 LYS 94 -1.900 -14.015 -43.489 547 HE3 LYS 94 HE3 LYS 94 -1.824 -12.570 -44.493 548 HZ1 LYS 94 HZ1 LYS 94 -4.236 -12.520 -44.531 549 HZ2 LYS 94 HZ2 LYS 94 -3.638 -12.451 -42.941 550 HZ3 LYS 94 HZ3 LYS 94 -4.294 -13.890 -43.534 551 H CYS 95 H CYS 95 0.338 -11.889 -49.820 552 HA CYS 95 HA CYS 95 1.788 -9.733 -48.462 553 HB2 CYS 95 HB2 CYS 95 3.168 -9.702 -50.589 554 HB3 CYS 95 HB3 CYS 95 3.340 -11.136 -49.589 555 H ASP 96 H ASP 96 2.255 -8.191 -50.799 556 HA ASP 96 HA ASP 96 -0.341 -6.896 -50.978 557 HB2 ASP 96 HB2 ASP 96 2.289 -5.973 -52.142 558 HB3 ASP 96 HB3 ASP 96 0.831 -5.019 -51.932 559 H ARG 97 H ARG 97 -0.519 -5.716 -53.261 560 HA ARG 97 HA ARG 97 -1.079 -7.821 -55.133 561 HB2 ARG 97 HB2 ARG 97 -2.077 -6.048 -56.497 562 HB3 ARG 97 HB3 ARG 97 -2.651 -5.998 -54.833 563 HG2 ARG 97 HG2 ARG 97 -1.140 -4.164 -54.348 564 HG3 ARG 97 HG3 ARG 97 -0.516 -4.230 -55.996 565 HD2 ARG 97 HD2 ARG 97 -2.714 -3.643 -56.866 566 HD3 ARG 97 HD3 ARG 97 -3.372 -3.632 -55.227 567 HE ARG 97 HE ARG 97 -1.240 -1.903 -55.180 568 HH11 ARG 97 HH11 ARG 97 -4.267 -2.079 -56.933 569 HH12 ARG 97 HH12 ARG 97 -4.386 -0.371 -57.152 570 HH21 ARG 97 HH21 ARG 97 -1.398 0.339 -55.433 571 HH22 ARG 97 HH22 ARG 97 -2.736 1.028 -56.282 572 H SER 98 H SER 98 1.773 -7.004 -54.483 573 HA SER 98 HA SER 98 2.963 -5.653 -56.651 574 HB2 SER 98 HB2 SER 98 4.386 -7.774 -55.079 575 HB3 SER 98 HB3 SER 98 5.009 -6.245 -55.693 576 HG SER 98 HG SER 98 3.484 -5.242 -54.167 577 H CYS 99 H CYS 99 1.878 -8.904 -56.290 578 HA CYS 99 HA CYS 99 3.432 -10.343 -58.061 579 HB2 CYS 99 HB2 CYS 99 0.516 -10.512 -57.416 580 HB3 CYS 99 HB3 CYS 99 1.345 -11.747 -58.341 581 H SER 100 H SER 100 3.735 -10.286 -60.196 582 HA SER 100 HA SER 100 2.333 -8.392 -61.812 583 HB2 SER 100 HB2 SER 100 4.344 -10.491 -62.640 584 HB3 SER 100 HB3 SER 100 3.851 -9.083 -63.581 585 HG SER 100 HG SER 100 4.585 -7.980 -61.438 586 H CYS 101 H CYS 101 1.485 -11.419 -60.823 587 HA CYS 101 HA CYS 101 0.207 -12.222 -63.316 588 HB2 CYS 101 HB2 CYS 101 -0.549 -14.180 -61.899 589 HB3 CYS 101 HB3 CYS 101 1.197 -14.002 -62.076 590 H LYS 102 H LYS 102 -0.569 -10.068 -60.919 591 HA LYS 102 HA LYS 102 -3.262 -10.837 -60.400 592 HB2 LYS 102 HB2 LYS 102 -2.007 -8.108 -60.078 593 HB3 LYS 102 HB3 LYS 102 -3.537 -8.635 -59.393 594 HG2 LYS 102 HG2 LYS 102 -0.802 -9.676 -58.698 595 HG3 LYS 102 HG3 LYS 102 -1.821 -8.637 -57.704 596 HD2 LYS 102 HD2 LYS 102 -3.539 -10.514 -57.725 597 HD3 LYS 102 HD3 LYS 102 -2.290 -11.511 -58.471 598 HE2 LYS 102 HE2 LYS 102 -0.867 -11.283 -56.554 599 HE3 LYS 102 HE3 LYS 102 -1.927 -10.073 -55.841 600 HZ1 LYS 102 HZ1 LYS 102 -2.157 -12.255 -54.821 601 HZ2 LYS 102 HZ2 LYS 102 -2.614 -12.920 -56.303 602 HZ3 LYS 102 HZ3 LYS 102 -3.609 -11.771 -55.551 Start of MODEL 8 1 HA2 GLY 1 HA2 GLY 1 3.162 -19.767 -17.329 2 HA3 GLY 1 HA3 GLY 1 2.144 -19.091 -18.592 3 H SER 2 H SER 2 0.157 -18.602 -16.257 4 HA SER 2 HA SER 2 -0.474 -16.873 -14.929 5 HB2 SER 2 HB2 SER 2 2.500 -16.445 -14.530 6 HB3 SER 2 HB3 SER 2 1.213 -15.816 -13.503 7 HG SER 2 HG SER 2 0.611 -18.110 -13.235 8 H MET 3 H MET 3 0.084 -16.505 -17.802 9 HA MET 3 HA MET 3 0.632 -13.619 -17.802 10 HB2 MET 3 HB2 MET 3 1.112 -15.641 -19.991 11 HB3 MET 3 HB3 MET 3 1.284 -13.905 -20.193 12 HG2 MET 3 HG2 MET 3 2.870 -15.642 -18.318 13 HG3 MET 3 HG3 MET 3 3.436 -14.961 -19.842 14 HE1 MET 3 HE1 MET 3 3.591 -11.153 -19.092 15 HE2 MET 3 HE2 MET 3 2.260 -12.033 -19.841 16 HE3 MET 3 HE3 MET 3 3.927 -12.435 -20.255 17 H SER 4 H SER 4 -1.465 -12.962 -17.472 18 HA SER 4 HA SER 4 -3.629 -13.870 -19.092 19 HB2 SER 4 HB2 SER 4 -3.394 -11.366 -17.406 20 HB3 SER 4 HB3 SER 4 -4.891 -12.069 -18.021 21 HG SER 4 HG SER 4 -4.643 -13.796 -16.684 22 H SER 5 H SER 5 -1.307 -11.282 -19.211 23 HA SER 5 HA SER 5 -2.264 -10.606 -21.894 24 HB2 SER 5 HB2 SER 5 -2.793 -8.801 -20.214 25 HB3 SER 5 HB3 SER 5 -1.063 -8.641 -19.919 26 HG SER 5 HG SER 5 -2.498 -8.123 -22.307 27 H VAL 6 H VAL 6 -0.790 -11.319 -23.254 28 HA VAL 6 HA VAL 6 1.925 -11.820 -22.413 29 HB VAL 6 HB VAL 6 0.578 -12.240 -25.093 30 HG11 VAL 6 HG11 VAL 6 2.484 -13.678 -25.632 31 HG12 VAL 6 HG12 VAL 6 3.246 -13.242 -24.103 32 HG13 VAL 6 HG13 VAL 6 2.992 -12.012 -25.344 33 HG21 VAL 6 HG21 VAL 6 -0.400 -13.608 -23.339 34 HG22 VAL 6 HG22 VAL 6 1.200 -14.187 -22.875 35 HG23 VAL 6 HG23 VAL 6 0.534 -14.608 -24.452 36 H PHE 7 H PHE 7 3.709 -10.694 -22.986 37 HA PHE 7 HA PHE 7 3.277 -8.118 -24.266 38 HB2 PHE 7 HB2 PHE 7 5.665 -9.229 -22.780 39 HB3 PHE 7 HB3 PHE 7 5.591 -7.617 -23.480 40 HD1 PHE 7 HD1 PHE 7 4.648 -9.719 -20.699 41 HD2 PHE 7 HD2 PHE 7 3.993 -5.954 -22.571 42 HE1 PHE 7 HE1 PHE 7 3.629 -8.870 -18.626 43 HE2 PHE 7 HE2 PHE 7 2.974 -5.099 -20.503 44 HZ PHE 7 HZ PHE 7 2.791 -6.557 -18.527 45 H GLY 8 H GLY 8 5.582 -7.495 -25.455 46 HA2 GLY 8 HA2 GLY 8 6.970 -7.886 -27.248 47 HA3 GLY 8 HA3 GLY 8 6.639 -9.603 -27.077 48 H ALA 9 H ALA 9 4.916 -10.523 -28.195 49 HA ALA 9 HA ALA 9 3.700 -8.801 -30.259 50 HB1 ALA 9 HB1 ALA 9 4.653 -11.644 -30.587 51 HB2 ALA 9 HB2 ALA 9 5.447 -10.208 -31.234 52 HB3 ALA 9 HB3 ALA 9 3.851 -10.674 -31.821 53 H GLY 10 H GLY 10 2.883 -10.016 -27.560 54 HA2 GLY 10 HA2 GLY 10 0.737 -11.819 -28.228 55 HA3 GLY 10 HA3 GLY 10 1.122 -11.171 -26.638 56 H CYS 11 H CYS 11 -0.020 -10.027 -29.769 57 HA CYS 11 HA CYS 11 -1.428 -7.819 -28.664 58 HB2 CYS 11 HB2 CYS 11 -2.376 -7.594 -30.952 59 HB3 CYS 11 HB3 CYS 11 -0.619 -7.698 -30.921 60 H THR 12 H THR 12 -3.866 -7.751 -29.858 61 HA THR 12 HA THR 12 -5.377 -9.435 -28.073 62 HB THR 12 HB THR 12 -5.972 -7.066 -28.281 63 HG1 THR 12 HG1 THR 12 -8.243 -7.410 -28.744 64 HG21 THR 12 HG21 THR 12 -5.328 -6.694 -30.609 65 HG22 THR 12 HG22 THR 12 -7.006 -6.215 -30.358 66 HG23 THR 12 HG23 THR 12 -6.636 -7.744 -31.153 67 H ASP 13 H ASP 13 -7.262 -10.629 -28.797 68 HA ASP 13 HA ASP 13 -6.692 -12.339 -30.997 69 HB2 ASP 13 HB2 ASP 13 -7.894 -13.197 -29.064 70 HB3 ASP 13 HB3 ASP 13 -9.202 -12.050 -29.332 71 H THR 14 H THR 14 -8.470 -9.418 -30.601 72 HA THR 14 HA THR 14 -10.245 -9.607 -32.759 73 HB THR 14 HB THR 14 -9.061 -6.980 -31.949 74 HG1 THR 14 HG1 THR 14 -10.967 -7.487 -30.232 75 HG21 THR 14 HG21 THR 14 -11.874 -7.962 -32.439 76 HG22 THR 14 HG22 THR 14 -10.874 -7.088 -33.598 77 HG23 THR 14 HG23 THR 14 -11.407 -6.290 -32.115 78 H CYS 15 H CYS 15 -6.887 -9.384 -32.754 79 HA CYS 15 HA CYS 15 -6.671 -8.020 -35.300 80 HB2 CYS 15 HB2 CYS 15 -5.031 -7.724 -33.439 81 HB3 CYS 15 HB3 CYS 15 -4.543 -9.392 -33.669 82 H LYS 16 H LYS 16 -7.111 -11.179 -34.122 83 HA LYS 16 HA LYS 16 -5.730 -12.558 -36.261 84 HB2 LYS 16 HB2 LYS 16 -7.801 -13.833 -34.494 85 HB3 LYS 16 HB3 LYS 16 -6.372 -14.558 -35.204 86 HG2 LYS 16 HG2 LYS 16 -6.381 -12.560 -32.946 87 HG3 LYS 16 HG3 LYS 16 -6.202 -14.309 -32.757 88 HD2 LYS 16 HD2 LYS 16 -4.346 -12.427 -34.195 89 HD3 LYS 16 HD3 LYS 16 -4.063 -13.168 -32.622 90 HE2 LYS 16 HE2 LYS 16 -4.044 -15.384 -33.676 91 HE3 LYS 16 HE3 LYS 16 -4.335 -14.637 -35.248 92 HZ1 LYS 16 HZ1 LYS 16 -1.951 -14.176 -33.537 93 HZ2 LYS 16 HZ2 LYS 16 -2.216 -13.484 -35.058 94 HZ3 LYS 16 HZ3 LYS 16 -1.993 -15.154 -34.912 95 H GLN 17 H GLN 17 -8.240 -10.650 -36.492 96 HA GLN 17 HA GLN 17 -10.124 -12.480 -37.748 97 HB2 GLN 17 HB2 GLN 17 -10.485 -9.516 -37.469 98 HB3 GLN 17 HB3 GLN 17 -11.711 -10.755 -37.645 99 HG2 GLN 17 HG2 GLN 17 -10.009 -10.226 -35.234 100 HG3 GLN 17 HG3 GLN 17 -11.728 -9.890 -35.406 101 HE21 GLN 17 HE21 GLN 17 -9.343 -12.230 -34.686 102 HE22 GLN 17 HE22 GLN 17 -10.405 -13.525 -34.294 103 H THR 18 H THR 18 -11.091 -11.845 -39.806 104 HA THR 18 HA THR 18 -9.365 -10.259 -41.560 105 HB THR 18 HB THR 18 -9.690 -12.075 -43.344 106 HG1 THR 18 HG1 THR 18 -11.258 -13.235 -41.984 107 HG21 THR 18 HG21 THR 18 -7.939 -12.697 -40.955 108 HG22 THR 18 HG22 THR 18 -7.511 -11.648 -42.307 109 HG23 THR 18 HG23 THR 18 -7.745 -13.376 -42.570 110 HA PRO 19 HA PRO 19 -9.639 -8.453 -42.257 111 HB2 PRO 19 HB2 PRO 19 -10.928 -6.096 -41.988 112 HB3 PRO 19 HB3 PRO 19 -10.701 -6.869 -43.562 113 HG2 PRO 19 HG2 PRO 19 -13.119 -6.870 -41.786 114 HG3 PRO 19 HG3 PRO 19 -13.024 -6.626 -43.538 115 HD2 PRO 19 HD2 PRO 19 -13.723 -9.001 -42.417 116 HD3 PRO 19 HD3 PRO 19 -12.869 -8.885 -43.970 117 H CYS 20 H CYS 20 -8.931 -6.880 -40.520 118 HA CYS 20 HA CYS 20 -9.193 -7.913 -37.976 119 HB2 CYS 20 HB2 CYS 20 -8.306 -5.225 -38.971 120 HB3 CYS 20 HB3 CYS 20 -8.342 -5.597 -37.255 121 H GLY 21 H GLY 21 -10.359 -7.419 -36.182 122 HA2 GLY 21 HA2 GLY 21 -12.836 -5.937 -36.696 123 HA3 GLY 21 HA3 GLY 21 -12.548 -7.043 -35.359 124 H CYS 22 H CYS 22 -9.854 -5.181 -35.625 125 HA CYS 22 HA CYS 22 -10.268 -3.829 -33.198 126 HB2 CYS 22 HB2 CYS 22 -8.259 -3.104 -35.329 127 HB3 CYS 22 HB3 CYS 22 -8.195 -2.696 -33.620 128 H GLY 23 H GLY 23 -9.751 -2.362 -36.385 129 HA2 GLY 23 HA2 GLY 23 -10.922 -0.548 -37.307 130 HA3 GLY 23 HA3 GLY 23 -11.672 -0.263 -35.734 131 H SER 24 H SER 24 -10.043 0.239 -33.976 132 HA SER 24 HA SER 24 -7.548 1.400 -34.705 133 HB2 SER 24 HB2 SER 24 -8.085 3.720 -33.996 134 HB3 SER 24 HB3 SER 24 -8.961 3.242 -35.449 135 HG SER 24 HG SER 24 -10.797 3.278 -34.386 136 H GLY 25 H GLY 25 -10.103 0.921 -32.379 137 HA2 GLY 25 HA2 GLY 25 -8.362 1.392 -30.113 138 HA3 GLY 25 HA3 GLY 25 -10.046 0.893 -30.051 139 H CYS 26 H CYS 26 -6.875 -0.321 -31.043 140 HA CYS 26 HA CYS 26 -7.712 -3.012 -30.245 141 HB2 CYS 26 HB2 CYS 26 -5.560 -3.640 -31.446 142 HB3 CYS 26 HB3 CYS 26 -6.892 -3.063 -32.432 143 H ASN 27 H ASN 27 -6.120 -4.328 -29.100 144 HA ASN 27 HA ASN 27 -4.305 -2.731 -27.418 145 HB2 ASN 27 HB2 ASN 27 -6.238 -3.787 -26.200 146 HB3 ASN 27 HB3 ASN 27 -5.619 -5.364 -26.678 147 HD21 ASN 27 HD21 ASN 27 -5.366 -5.953 -24.502 148 HD22 ASN 27 HD22 ASN 27 -4.074 -5.337 -23.534 149 H CYS 28 H CYS 28 -3.360 -3.431 -29.798 150 HA CYS 28 HA CYS 28 -2.003 -5.973 -29.672 151 HB2 CYS 28 HB2 CYS 28 -1.859 -3.726 -31.690 152 HB3 CYS 28 HB3 CYS 28 -1.050 -5.282 -31.858 153 H LYS 29 H LYS 29 0.231 -6.264 -29.487 154 HA LYS 29 HA LYS 29 1.475 -4.391 -27.761 155 HB2 LYS 29 HB2 LYS 29 2.749 -6.749 -29.144 156 HB3 LYS 29 HB3 LYS 29 3.371 -5.900 -27.741 157 HG2 LYS 29 HG2 LYS 29 0.952 -7.689 -27.901 158 HG3 LYS 29 HG3 LYS 29 2.424 -7.939 -26.969 159 HD2 LYS 29 HD2 LYS 29 0.306 -5.836 -26.485 160 HD3 LYS 29 HD3 LYS 29 0.628 -7.259 -25.496 161 HE2 LYS 29 HE2 LYS 29 2.796 -6.391 -24.890 162 HE3 LYS 29 HE3 LYS 29 2.590 -5.027 -25.983 163 HZ1 LYS 29 HZ1 LYS 29 0.650 -4.373 -24.613 164 HZ2 LYS 29 HZ2 LYS 29 2.120 -4.285 -23.803 165 HZ3 LYS 29 HZ3 LYS 29 1.069 -5.575 -23.500 166 H GLU 30 H GLU 30 3.617 -3.472 -28.129 167 HA GLU 30 HA GLU 30 3.593 -1.731 -30.325 168 HB2 GLU 30 HB2 GLU 30 5.805 -0.998 -29.488 169 HB3 GLU 30 HB3 GLU 30 4.567 -1.077 -28.243 170 HG2 GLU 30 HG2 GLU 30 5.493 -3.361 -27.663 171 HG3 GLU 30 HG3 GLU 30 6.858 -2.959 -28.702 172 H ASP 31 H ASP 31 4.794 -4.909 -30.191 173 HA ASP 31 HA ASP 31 6.782 -4.523 -32.275 174 HB2 ASP 31 HB2 ASP 31 7.294 -6.157 -30.577 175 HB3 ASP 31 HB3 ASP 31 5.771 -6.988 -30.846 176 H CYS 32 H CYS 32 3.489 -4.759 -32.205 177 HA CYS 32 HA CYS 32 3.074 -6.524 -34.418 178 HB2 CYS 32 HB2 CYS 32 1.422 -6.031 -32.553 179 HB3 CYS 32 HB3 CYS 32 1.124 -4.490 -33.347 180 H ARG 33 H ARG 33 3.290 -6.076 -36.493 181 HA ARG 33 HA ARG 33 3.306 -3.269 -37.368 182 HB2 ARG 33 HB2 ARG 33 4.835 -5.645 -38.447 183 HB3 ARG 33 HB3 ARG 33 4.718 -4.108 -39.284 184 HG2 ARG 33 HG2 ARG 33 5.868 -4.442 -36.526 185 HG3 ARG 33 HG3 ARG 33 6.820 -4.428 -38.011 186 HD2 ARG 33 HD2 ARG 33 5.078 -2.197 -36.969 187 HD3 ARG 33 HD3 ARG 33 6.838 -2.234 -36.982 188 HE ARG 33 HE ARG 33 5.186 -2.194 -39.432 189 HH11 ARG 33 HH11 ARG 33 8.057 -1.221 -37.664 190 HH12 ARG 33 HH12 ARG 33 8.657 -0.228 -38.941 191 HH21 ARG 33 HH21 ARG 33 5.980 -0.886 -41.111 192 HH22 ARG 33 HH22 ARG 33 7.476 -0.040 -40.916 193 H CYS 34 H CYS 34 0.912 -3.957 -37.299 194 HA CYS 34 HA CYS 34 0.197 -5.191 -39.864 195 HB2 CYS 34 HB2 CYS 34 -0.671 -5.960 -37.444 196 HB3 CYS 34 HB3 CYS 34 -1.861 -4.709 -37.783 197 H GLN 35 H GLN 35 0.025 -3.581 -41.346 198 HA GLN 35 HA GLN 35 -0.709 -0.914 -40.761 199 HB2 GLN 35 HB2 GLN 35 -0.616 -2.460 -43.336 200 HB3 GLN 35 HB3 GLN 35 -1.119 -0.776 -43.280 201 HG2 GLN 35 HG2 GLN 35 1.539 -1.860 -42.385 202 HG3 GLN 35 HG3 GLN 35 1.212 -0.986 -43.881 203 HE21 GLN 35 HE21 GLN 35 1.628 -0.744 -40.459 204 HE22 GLN 35 HE22 GLN 35 1.682 0.980 -40.376 205 H SER 36 H SER 36 -2.609 -3.627 -40.856 206 HA SER 36 HA SER 36 -5.025 -2.685 -41.892 207 HB2 SER 36 HB2 SER 36 -4.719 -4.610 -39.585 208 HB3 SER 36 HB3 SER 36 -6.023 -4.546 -40.772 209 HG SER 36 HG SER 36 -4.128 -6.134 -40.976 210 H CYS 37 H CYS 37 -3.827 -2.804 -38.538 211 HA CYS 37 HA CYS 37 -5.856 -0.828 -37.772 212 HB2 CYS 37 HB2 CYS 37 -5.095 -1.671 -35.419 213 HB3 CYS 37 HB3 CYS 37 -6.172 -2.661 -36.403 214 H LYS 38 H LYS 38 -2.473 -1.277 -38.176 215 HA LYS 38 HA LYS 38 -1.765 0.961 -36.472 216 HB2 LYS 38 HB2 LYS 38 -0.386 -1.231 -36.740 217 HB3 LYS 38 HB3 LYS 38 0.147 -0.534 -38.258 218 HG2 LYS 38 HG2 LYS 38 0.457 1.024 -35.716 219 HG3 LYS 38 HG3 LYS 38 1.585 -0.267 -36.097 220 HD2 LYS 38 HD2 LYS 38 2.721 1.432 -37.093 221 HD3 LYS 38 HD3 LYS 38 1.637 1.077 -38.435 222 HE2 LYS 38 HE2 LYS 38 1.647 3.440 -38.089 223 HE3 LYS 38 HE3 LYS 38 0.090 2.814 -37.552 224 HZ1 LYS 38 HZ1 LYS 38 2.380 3.482 -35.781 225 HZ2 LYS 38 HZ2 LYS 38 0.878 2.913 -35.267 226 HZ3 LYS 38 HZ3 LYS 38 1.003 4.429 -35.998 227 H TYR 39 H TYR 39 -3.150 2.222 -37.791 228 HA TYR 39 HA TYR 39 -1.565 3.504 -39.897 229 HB2 TYR 39 HB2 TYR 39 -3.547 3.981 -41.221 230 HB3 TYR 39 HB3 TYR 39 -3.403 2.248 -41.010 231 HD1 TYR 39 HD1 TYR 39 -5.476 5.125 -40.622 232 HD2 TYR 39 HD2 TYR 39 -4.895 1.158 -39.210 233 HE1 TYR 39 HE1 TYR 39 -7.774 5.098 -39.782 234 HE2 TYR 39 HE2 TYR 39 -7.202 1.122 -38.359 235 HH TYR 39 HH TYR 39 -8.981 2.503 -37.786 236 H GLY 40 H GLY 40 -2.812 5.708 -40.402 237 HA2 GLY 40 HA2 GLY 40 -4.254 7.252 -38.844 238 HA3 GLY 40 HA3 GLY 40 -2.810 7.104 -37.844 239 H ALA 41 H ALA 41 -4.284 8.768 -40.354 240 HA ALA 41 HA ALA 41 -3.652 10.423 -41.758 241 HB1 ALA 41 HB1 ALA 41 -2.647 11.426 -39.771 242 HB2 ALA 41 HB2 ALA 41 -1.660 11.740 -41.201 243 HB3 ALA 41 HB3 ALA 41 -1.171 10.502 -40.043 244 H GLY 42 H GLY 42 -3.280 7.822 -42.546 245 HA2 GLY 42 HA2 GLY 42 -1.122 8.171 -44.472 246 HA3 GLY 42 HA3 GLY 42 -1.049 6.747 -43.449 247 H CYS 43 H CYS 43 -3.007 5.302 -43.511 248 HA CYS 43 HA CYS 43 -3.599 4.834 -46.278 249 HB2 CYS 43 HB2 CYS 43 -3.176 3.128 -44.321 250 HB3 CYS 43 HB3 CYS 43 -4.909 3.298 -44.078 251 H THR 44 H THR 44 -5.957 4.161 -46.817 252 HA THR 44 HA THR 44 -7.519 6.550 -46.385 253 HB THR 44 HB THR 44 -9.028 5.577 -48.111 254 HG1 THR 44 HG1 THR 44 -7.896 3.668 -49.198 255 HG21 THR 44 HG21 THR 44 -6.089 5.597 -48.822 256 HG22 THR 44 HG22 THR 44 -7.146 7.008 -48.769 257 HG23 THR 44 HG23 THR 44 -7.423 5.743 -49.966 258 H ASP 45 H ASP 45 -9.861 6.415 -45.977 259 HA ASP 45 HA ASP 45 -10.389 4.823 -43.639 260 HB2 ASP 45 HB2 ASP 45 -12.143 6.743 -45.186 261 HB3 ASP 45 HB3 ASP 45 -12.632 5.944 -43.699 262 H VAL 46 H VAL 46 -11.283 4.764 -47.009 263 HA VAL 46 HA VAL 46 -13.489 3.055 -46.906 264 HB VAL 46 HB VAL 46 -11.410 3.237 -49.112 265 HG11 VAL 46 HG11 VAL 46 -14.235 2.217 -49.179 266 HG12 VAL 46 HG12 VAL 46 -12.770 1.245 -49.318 267 HG13 VAL 46 HG13 VAL 46 -13.176 2.416 -50.574 268 HG21 VAL 46 HG21 VAL 46 -12.414 5.402 -48.598 269 HG22 VAL 46 HG22 VAL 46 -14.024 4.690 -48.752 270 HG23 VAL 46 HG23 VAL 46 -12.971 4.796 -50.161 271 H CYS 47 H CYS 47 -10.089 2.391 -46.809 272 HA CYS 47 HA CYS 47 -10.328 -0.420 -47.161 273 HB2 CYS 47 HB2 CYS 47 -8.299 0.816 -47.730 274 HB3 CYS 47 HB3 CYS 47 -8.087 1.259 -46.039 275 H LYS 48 H LYS 48 -10.735 1.719 -44.501 276 HA LYS 48 HA LYS 48 -10.283 -0.388 -42.534 277 HB2 LYS 48 HB2 LYS 48 -11.031 2.491 -42.001 278 HB3 LYS 48 HB3 LYS 48 -10.320 1.343 -40.875 279 HG2 LYS 48 HG2 LYS 48 -8.962 2.472 -43.319 280 HG3 LYS 48 HG3 LYS 48 -8.690 3.001 -41.662 281 HD2 LYS 48 HD2 LYS 48 -7.666 0.950 -41.071 282 HD3 LYS 48 HD3 LYS 48 -8.276 0.143 -42.516 283 HE2 LYS 48 HE2 LYS 48 -6.844 1.817 -43.826 284 HE3 LYS 48 HE3 LYS 48 -6.066 2.162 -42.284 285 HZ1 LYS 48 HZ1 LYS 48 -4.847 0.490 -43.521 286 HZ2 LYS 48 HZ2 LYS 48 -6.214 -0.497 -43.596 287 HZ3 LYS 48 HZ3 LYS 48 -5.477 -0.184 -42.100 288 H GLN 49 H GLN 49 -12.614 -0.153 -44.469 289 HA GLN 49 HA GLN 49 -14.920 0.207 -42.779 290 HB2 GLN 49 HB2 GLN 49 -14.585 -0.763 -45.608 291 HB3 GLN 49 HB3 GLN 49 -16.139 -0.704 -44.798 292 HG2 GLN 49 HG2 GLN 49 -15.863 1.726 -44.527 293 HG3 GLN 49 HG3 GLN 49 -14.344 1.623 -45.413 294 HE21 GLN 49 HE21 GLN 49 -15.234 3.036 -46.991 295 HE22 GLN 49 HE22 GLN 49 -16.323 2.438 -48.195 296 H THR 50 H THR 50 -16.602 -1.548 -42.740 297 HA THR 50 HA THR 50 -15.549 -4.247 -42.885 298 HB THR 50 HB THR 50 -16.890 -3.238 -40.368 299 HG1 THR 50 HG1 THR 50 -14.265 -3.265 -41.179 300 HG21 THR 50 HG21 THR 50 -17.313 -5.596 -40.977 301 HG22 THR 50 HG22 THR 50 -16.370 -5.444 -39.489 302 HG23 THR 50 HG23 THR 50 -15.574 -5.882 -41.005 303 HA PRO 51 HA PRO 51 -15.997 -5.813 -44.026 304 HB2 PRO 51 HB2 PRO 51 -17.257 -5.834 -46.672 305 HB3 PRO 51 HB3 PRO 51 -16.812 -7.191 -45.632 306 HG2 PRO 51 HG2 PRO 51 -19.389 -6.491 -46.100 307 HG3 PRO 51 HG3 PRO 51 -18.852 -7.239 -44.587 308 HD2 PRO 51 HD2 PRO 51 -19.460 -4.370 -45.168 309 HD3 PRO 51 HD3 PRO 51 -19.811 -5.326 -43.716 310 H CYS 52 H CYS 52 -14.283 -5.330 -45.531 311 HA CYS 52 HA CYS 52 -13.592 -2.676 -45.648 312 HB2 CYS 52 HB2 CYS 52 -11.998 -4.531 -45.918 313 HB3 CYS 52 HB3 CYS 52 -12.667 -4.821 -47.527 314 H GLY 53 H GLY 53 -13.512 -1.122 -47.217 315 HA2 GLY 53 HA2 GLY 53 -15.706 -1.353 -49.095 316 HA3 GLY 53 HA3 GLY 53 -14.913 0.148 -48.620 317 H CYS 54 H CYS 54 -12.264 -1.326 -49.079 318 HA CYS 54 HA CYS 54 -11.782 -0.406 -51.674 319 HB2 CYS 54 HB2 CYS 54 -10.352 -2.327 -49.881 320 HB3 CYS 54 HB3 CYS 54 -9.760 -2.010 -51.510 321 H ALA 55 H ALA 55 -13.102 -3.368 -50.495 322 HA ALA 55 HA ALA 55 -12.834 -4.720 -53.061 323 HB1 ALA 55 HB1 ALA 55 -12.423 -6.007 -51.039 324 HB2 ALA 55 HB2 ALA 55 -13.836 -6.632 -51.896 325 HB3 ALA 55 HB3 ALA 55 -14.045 -5.626 -50.463 326 H THR 56 H THR 56 -14.663 -2.342 -52.233 327 HA THR 56 HA THR 56 -17.056 -3.404 -53.573 328 HB THR 56 HB THR 56 -17.174 -1.453 -51.264 329 HG1 THR 56 HG1 THR 56 -16.990 -4.198 -51.328 330 HG21 THR 56 HG21 THR 56 -19.311 -3.053 -52.690 331 HG22 THR 56 HG22 THR 56 -19.051 -1.316 -52.842 332 HG23 THR 56 HG23 THR 56 -19.575 -1.999 -51.302 333 H SER 57 H SER 57 -15.357 -0.423 -52.557 334 HA SER 57 HA SER 57 -16.666 1.059 -54.722 335 HB2 SER 57 HB2 SER 57 -15.719 3.051 -53.609 336 HB3 SER 57 HB3 SER 57 -16.627 2.076 -52.461 337 HG SER 57 HG SER 57 -13.908 1.534 -52.717 338 H GLY 58 H GLY 58 -14.347 -0.975 -54.875 339 HA2 GLY 58 HA2 GLY 58 -12.643 -1.141 -56.464 340 HA3 GLY 58 HA3 GLY 58 -12.687 0.611 -56.660 341 H CYS 59 H CYS 59 -10.514 -1.461 -55.972 342 HA CYS 59 HA CYS 59 -9.732 -0.947 -53.325 343 HB2 CYS 59 HB2 CYS 59 -8.914 -2.849 -54.706 344 HB3 CYS 59 HB3 CYS 59 -7.926 -1.705 -55.614 345 H ASN 60 H ASN 60 -8.423 0.525 -52.424 346 HA ASN 60 HA ASN 60 -7.934 2.898 -54.060 347 HB2 ASN 60 HB2 ASN 60 -9.309 2.900 -51.876 348 HB3 ASN 60 HB3 ASN 60 -7.754 2.788 -51.065 349 HD21 ASN 60 HD21 ASN 60 -6.354 4.461 -53.017 350 HD22 ASN 60 HD22 ASN 60 -6.910 6.075 -52.726 351 H CYS 61 H CYS 61 -6.313 0.715 -51.788 352 HA CYS 61 HA CYS 61 -3.804 2.089 -52.335 353 HB2 CYS 61 HB2 CYS 61 -2.955 0.637 -50.453 354 HB3 CYS 61 HB3 CYS 61 -4.181 1.824 -50.022 355 H THR 62 H THR 62 -3.092 -0.985 -51.322 356 HA THR 62 HA THR 62 -2.863 -2.075 -54.000 357 HB THR 62 HB THR 62 -0.354 -2.598 -53.247 358 HG1 THR 62 HG1 THR 62 -0.018 -1.489 -51.469 359 HG21 THR 62 HG21 THR 62 0.357 -0.675 -54.591 360 HG22 THR 62 HG22 THR 62 -1.264 0.013 -54.455 361 HG23 THR 62 HG23 THR 62 -1.016 -1.500 -55.330 362 H ASP 63 H ASP 63 -1.915 -4.303 -53.999 363 HA ASP 63 HA ASP 63 -3.351 -5.961 -52.180 364 HB2 ASP 63 HB2 ASP 63 -3.043 -6.585 -54.527 365 HB3 ASP 63 HB3 ASP 63 -1.305 -6.633 -54.325 366 H ASP 64 H ASP 64 -0.503 -4.365 -51.684 367 HA ASP 64 HA ASP 64 0.851 -6.497 -50.236 368 HB2 ASP 64 HB2 ASP 64 2.721 -5.060 -50.045 369 HB3 ASP 64 HB3 ASP 64 2.065 -4.754 -51.649 370 H CYS 65 H CYS 65 -1.578 -4.346 -49.556 371 HA CYS 65 HA CYS 65 -0.863 -3.642 -46.869 372 HB2 CYS 65 HB2 CYS 65 -2.725 -2.592 -48.443 373 HB3 CYS 65 HB3 CYS 65 -3.727 -3.895 -47.825 374 H LYS 66 H LYS 66 -1.545 -4.702 -44.927 375 HA LYS 66 HA LYS 66 -1.662 -7.551 -45.175 376 HB2 LYS 66 HB2 LYS 66 -1.410 -5.649 -42.965 377 HB3 LYS 66 HB3 LYS 66 -2.270 -7.128 -42.560 378 HG2 LYS 66 HG2 LYS 66 -0.329 -8.379 -43.563 379 HG3 LYS 66 HG3 LYS 66 0.527 -6.836 -43.587 380 HD2 LYS 66 HD2 LYS 66 0.217 -6.618 -41.184 381 HD3 LYS 66 HD3 LYS 66 -0.671 -8.142 -41.148 382 HE2 LYS 66 HE2 LYS 66 1.635 -8.465 -40.429 383 HE3 LYS 66 HE3 LYS 66 1.322 -9.319 -41.939 384 HZ1 LYS 66 HZ1 LYS 66 2.661 -6.676 -41.716 385 HZ2 LYS 66 HZ2 LYS 66 2.417 -7.552 -43.145 386 HZ3 LYS 66 HZ3 LYS 66 3.449 -8.150 -41.951 387 H CYS 67 H CYS 67 -3.963 -5.452 -45.727 388 HA CYS 67 HA CYS 67 -6.091 -6.695 -44.276 389 HB2 CYS 67 HB2 CYS 67 -6.017 -4.265 -44.818 390 HB3 CYS 67 HB3 CYS 67 -6.240 -4.696 -46.513 391 H GLN 68 H GLN 68 -6.388 -8.747 -44.897 392 HA GLN 68 HA GLN 68 -6.342 -9.469 -47.680 393 HB2 GLN 68 HB2 GLN 68 -6.947 -11.082 -45.206 394 HB3 GLN 68 HB3 GLN 68 -6.955 -11.749 -46.833 395 HG2 GLN 68 HG2 GLN 68 -4.597 -10.500 -45.437 396 HG3 GLN 68 HG3 GLN 68 -4.855 -12.222 -45.718 397 HE21 GLN 68 HE21 GLN 68 -2.681 -10.458 -46.582 398 HE22 GLN 68 HE22 GLN 68 -2.613 -10.597 -48.299 399 H SER 69 H SER 69 -8.104 -7.657 -47.697 400 HA SER 69 HA SER 69 -10.630 -9.118 -48.053 401 HB2 SER 69 HB2 SER 69 -10.658 -7.539 -46.031 402 HB3 SER 69 HB3 SER 69 -10.518 -6.213 -47.185 403 HG SER 69 HG SER 69 -12.500 -8.019 -47.805 404 H CYS 70 H CYS 70 -8.686 -6.278 -48.909 405 HA CYS 70 HA CYS 70 -10.085 -5.986 -51.430 406 HB2 CYS 70 HB2 CYS 70 -8.420 -4.079 -51.673 407 HB3 CYS 70 HB3 CYS 70 -9.607 -3.959 -50.379 408 H SER 71 H SER 71 -7.264 -7.454 -50.179 409 HA SER 71 HA SER 71 -5.683 -7.432 -52.522 410 HB2 SER 71 HB2 SER 71 -4.481 -9.306 -51.298 411 HB3 SER 71 HB3 SER 71 -4.593 -7.769 -50.439 412 HG SER 71 HG SER 71 -5.168 -9.818 -49.286 413 H THR 72 H THR 72 -4.970 -9.594 -53.486 414 HA THR 72 HA THR 72 -7.368 -10.930 -54.445 415 HB THR 72 HB THR 72 -5.632 -12.029 -56.038 416 HG1 THR 72 HG1 THR 72 -4.133 -9.890 -54.877 417 HG21 THR 72 HG21 THR 72 -7.251 -10.357 -56.763 418 HG22 THR 72 HG22 THR 72 -5.684 -10.056 -57.514 419 HG23 THR 72 HG23 THR 72 -6.215 -9.067 -56.153 420 H ALA 73 H ALA 73 -7.725 -13.121 -54.363 421 HA ALA 73 HA ALA 73 -6.604 -14.417 -52.013 422 HB1 ALA 73 HB1 ALA 73 -8.832 -15.143 -53.832 423 HB2 ALA 73 HB2 ALA 73 -8.975 -14.334 -52.259 424 HB3 ALA 73 HB3 ALA 73 -8.391 -16.004 -52.368 425 H CYS 74 H CYS 74 -4.615 -14.578 -53.433 426 HA CYS 74 HA CYS 74 -3.268 -15.563 -55.015 427 HB2 CYS 74 HB2 CYS 74 -3.225 -16.635 -52.592 428 HB3 CYS 74 HB3 CYS 74 -3.739 -18.046 -53.472 429 H LYS 75 H LYS 75 -3.065 -18.366 -55.483 430 HA LYS 75 HA LYS 75 -5.408 -19.066 -57.126 431 HB2 LYS 75 HB2 LYS 75 -2.535 -19.101 -58.025 432 HB3 LYS 75 HB3 LYS 75 -3.835 -19.901 -58.890 433 HG2 LYS 75 HG2 LYS 75 -3.682 -16.961 -58.312 434 HG3 LYS 75 HG3 LYS 75 -3.255 -17.732 -59.837 435 HD2 LYS 75 HD2 LYS 75 -5.957 -17.910 -58.532 436 HD3 LYS 75 HD3 LYS 75 -5.532 -16.741 -59.777 437 HE2 LYS 75 HE2 LYS 75 -5.099 -18.505 -61.356 438 HE3 LYS 75 HE3 LYS 75 -5.367 -19.729 -60.115 439 HZ1 LYS 75 HZ1 LYS 75 -7.288 -19.385 -61.587 440 HZ2 LYS 75 HZ2 LYS 75 -7.426 -17.798 -61.018 441 HZ3 LYS 75 HZ3 LYS 75 -7.642 -19.096 -59.962 442 H CYS 76 H CYS 76 -2.932 -20.083 -55.001 443 HA CYS 76 HA CYS 76 -2.725 -22.774 -55.831 444 HB2 CYS 76 HB2 CYS 76 -1.985 -21.471 -53.222 445 HB3 CYS 76 HB3 CYS 76 -1.616 -23.137 -53.646 446 H ALA 77 H ALA 77 -3.126 -24.612 -54.390 447 HA ALA 77 HA ALA 77 -5.719 -24.442 -53.029 448 HB1 ALA 77 HB1 ALA 77 -6.416 -26.516 -54.095 449 HB2 ALA 77 HB2 ALA 77 -4.903 -26.573 -54.995 450 HB3 ALA 77 HB3 ALA 77 -6.072 -25.287 -55.316 451 H ALA 78 H ALA 78 -6.078 -26.801 -52.019 452 HA ALA 78 HA ALA 78 -4.094 -27.093 -50.051 453 HB1 ALA 78 HB1 ALA 78 -5.386 -29.003 -49.274 454 HB2 ALA 78 HB2 ALA 78 -6.300 -29.015 -50.782 455 HB3 ALA 78 HB3 ALA 78 -6.453 -27.655 -49.671 456 H GLY 79 H GLY 79 -2.121 -27.543 -50.890 457 HA2 GLY 79 HA2 GLY 79 -0.550 -29.349 -50.989 458 HA3 GLY 79 HA3 GLY 79 -1.774 -30.319 -51.793 459 H SER 80 H SER 80 -1.776 -27.217 -53.056 460 HA SER 80 HA SER 80 0.163 -27.970 -55.115 461 HB2 SER 80 HB2 SER 80 -2.614 -26.906 -55.652 462 HB3 SER 80 HB3 SER 80 -1.381 -27.217 -56.873 463 HG SER 80 HG SER 80 -1.423 -29.433 -55.726 464 H CYS 81 H CYS 81 1.645 -26.516 -54.334 465 HA CYS 81 HA CYS 81 0.975 -23.662 -54.411 466 HB2 CYS 81 HB2 CYS 81 2.172 -24.272 -52.426 467 HB3 CYS 81 HB3 CYS 81 3.328 -25.231 -53.337 468 H LYS 82 H LYS 82 1.406 -22.562 -56.261 469 HA LYS 82 HA LYS 82 3.456 -23.732 -58.007 470 HB2 LYS 82 HB2 LYS 82 2.242 -22.886 -59.975 471 HB3 LYS 82 HB3 LYS 82 1.385 -24.127 -59.084 472 HG2 LYS 82 HG2 LYS 82 0.812 -21.231 -58.619 473 HG3 LYS 82 HG3 LYS 82 0.109 -22.095 -59.985 474 HD2 LYS 82 HD2 LYS 82 -0.152 -22.949 -57.102 475 HD3 LYS 82 HD3 LYS 82 -1.364 -22.016 -57.975 476 HE2 LYS 82 HE2 LYS 82 -0.410 -24.797 -58.679 477 HE3 LYS 82 HE3 LYS 82 -1.938 -24.391 -57.911 478 HZ1 LYS 82 HZ1 LYS 82 -1.100 -23.600 -60.650 479 HZ2 LYS 82 HZ2 LYS 82 -2.548 -23.144 -59.918 480 HZ3 LYS 82 HZ3 LYS 82 -2.252 -24.770 -60.257 481 H CYS 83 H CYS 83 2.368 -20.775 -56.541 482 HA CYS 83 HA CYS 83 3.914 -19.082 -58.228 483 HB2 CYS 83 HB2 CYS 83 3.586 -17.359 -56.523 484 HB3 CYS 83 HB3 CYS 83 2.074 -18.196 -56.856 485 H GLY 84 H GLY 84 4.550 -20.853 -55.267 486 HA2 GLY 84 HA2 GLY 84 6.737 -21.741 -54.860 487 HA3 GLY 84 HA3 GLY 84 7.415 -20.362 -55.710 488 H LYS 85 H LYS 85 4.917 -19.479 -53.583 489 HA LYS 85 HA LYS 85 6.894 -18.325 -51.791 490 HB2 LYS 85 HB2 LYS 85 3.896 -17.968 -51.855 491 HB3 LYS 85 HB3 LYS 85 5.015 -17.055 -50.859 492 HG2 LYS 85 HG2 LYS 85 4.932 -17.048 -53.870 493 HG3 LYS 85 HG3 LYS 85 4.293 -15.789 -52.815 494 HD2 LYS 85 HD2 LYS 85 6.564 -15.387 -51.954 495 HD3 LYS 85 HD3 LYS 85 7.186 -16.624 -53.050 496 HE2 LYS 85 HE2 LYS 85 6.308 -15.312 -54.958 497 HE3 LYS 85 HE3 LYS 85 5.808 -14.057 -53.831 498 HZ1 LYS 85 HZ1 LYS 85 8.600 -14.970 -54.259 499 HZ2 LYS 85 HZ2 LYS 85 8.116 -13.753 -53.198 500 HZ3 LYS 85 HZ3 LYS 85 7.930 -13.539 -54.866 501 H GLY 86 H GLY 86 4.696 -20.957 -51.890 502 HA2 GLY 86 HA2 GLY 86 4.884 -22.773 -50.390 503 HA3 GLY 86 HA3 GLY 86 5.523 -21.677 -49.175 504 H CYS 87 H CYS 87 2.640 -21.095 -51.077 505 HA CYS 87 HA CYS 87 1.043 -21.334 -48.626 506 HB2 CYS 87 HB2 CYS 87 -0.494 -19.747 -50.048 507 HB3 CYS 87 HB3 CYS 87 0.876 -19.101 -49.160 508 H THR 88 H THR 88 -0.854 -22.493 -48.735 509 HA THR 88 HA THR 88 -1.286 -23.951 -51.236 510 HB THR 88 HB THR 88 -2.486 -25.589 -49.617 511 HG1 THR 88 HG1 THR 88 -2.319 -25.055 -47.582 512 HG21 THR 88 HG21 THR 88 -0.367 -26.757 -49.227 513 HG22 THR 88 HG22 THR 88 0.518 -25.275 -49.592 514 HG23 THR 88 HG23 THR 88 -0.422 -26.072 -50.852 515 H GLY 89 H GLY 89 -2.424 -21.455 -51.002 516 HA2 GLY 89 HA2 GLY 89 -4.793 -21.409 -51.970 517 HA3 GLY 89 HA3 GLY 89 -5.243 -22.007 -50.385 518 HA PRO 90 HA PRO 90 -5.008 -17.274 -50.654 519 HB2 PRO 90 HB2 PRO 90 -7.624 -16.721 -50.311 520 HB3 PRO 90 HB3 PRO 90 -6.898 -17.028 -51.888 521 HG2 PRO 90 HG2 PRO 90 -8.394 -18.950 -50.133 522 HG3 PRO 90 HG3 PRO 90 -8.610 -18.628 -51.865 523 HD2 PRO 90 HD2 PRO 90 -7.179 -20.735 -51.034 524 HD3 PRO 90 HD3 PRO 90 -6.677 -19.772 -52.450 525 H ASP 91 H ASP 91 -6.917 -19.394 -48.576 526 HA ASP 91 HA ASP 91 -7.074 -17.652 -46.355 527 HB2 ASP 91 HB2 ASP 91 -8.564 -19.546 -46.522 528 HB3 ASP 91 HB3 ASP 91 -7.214 -20.664 -46.563 529 H SER 92 H SER 92 -4.645 -19.847 -47.516 530 HA SER 92 HA SER 92 -3.016 -19.390 -45.140 531 HB2 SER 92 HB2 SER 92 -2.682 -21.351 -47.420 532 HB3 SER 92 HB3 SER 92 -1.572 -21.198 -46.056 533 HG SER 92 HG SER 92 -3.286 -21.743 -44.672 534 H CYS 93 H CYS 93 -3.519 -17.903 -48.034 535 HA CYS 93 HA CYS 93 -0.743 -17.313 -48.596 536 HB2 CYS 93 HB2 CYS 93 -2.297 -17.530 -50.515 537 HB3 CYS 93 HB3 CYS 93 -3.242 -16.177 -49.907 538 H LYS 94 H LYS 94 -0.156 -16.360 -46.692 539 HA LYS 94 HA LYS 94 -1.427 -13.798 -46.064 540 HB2 LYS 94 HB2 LYS 94 0.673 -15.342 -44.494 541 HB3 LYS 94 HB3 LYS 94 -0.124 -13.869 -43.963 542 HG2 LYS 94 HG2 LYS 94 -2.299 -15.078 -43.994 543 HG3 LYS 94 HG3 LYS 94 -1.436 -16.555 -44.413 544 HD2 LYS 94 HD2 LYS 94 -1.548 -16.849 -42.140 545 HD3 LYS 94 HD3 LYS 94 -0.060 -15.910 -42.208 546 HE2 LYS 94 HE2 LYS 94 -2.818 -14.770 -41.703 547 HE3 LYS 94 HE3 LYS 94 -1.629 -15.122 -40.455 548 HZ1 LYS 94 HZ1 LYS 94 -1.361 -13.114 -42.630 549 HZ2 LYS 94 HZ2 LYS 94 -0.149 -13.484 -41.515 550 HZ3 LYS 94 HZ3 LYS 94 -1.594 -12.799 -40.988 551 H CYS 95 H CYS 95 0.107 -14.209 -48.437 552 HA CYS 95 HA CYS 95 2.605 -12.751 -48.000 553 HB2 CYS 95 HB2 CYS 95 1.526 -14.075 -50.499 554 HB3 CYS 95 HB3 CYS 95 3.114 -13.339 -50.334 555 H ASP 96 H ASP 96 3.127 -10.958 -49.399 556 HA ASP 96 HA ASP 96 0.891 -9.148 -49.714 557 HB2 ASP 96 HB2 ASP 96 3.842 -8.713 -50.261 558 HB3 ASP 96 HB3 ASP 96 2.617 -7.457 -50.211 559 H ARG 97 H ARG 97 1.980 -7.606 -51.857 560 HA ARG 97 HA ARG 97 0.792 -8.947 -54.095 561 HB2 ARG 97 HB2 ARG 97 1.229 -6.850 -55.291 562 HB3 ARG 97 HB3 ARG 97 0.517 -6.538 -53.712 563 HG2 ARG 97 HG2 ARG 97 2.799 -6.054 -52.844 564 HG3 ARG 97 HG3 ARG 97 3.404 -6.209 -54.490 565 HD2 ARG 97 HD2 ARG 97 2.119 -4.342 -55.233 566 HD3 ARG 97 HD3 ARG 97 1.211 -4.288 -53.722 567 HE ARG 97 HE ARG 97 3.681 -3.874 -52.834 568 HH11 ARG 97 HH11 ARG 97 2.070 -2.464 -55.615 569 HH12 ARG 97 HH12 ARG 97 2.884 -0.950 -55.474 570 HH21 ARG 97 HH21 ARG 97 4.746 -1.859 -52.630 571 HH22 ARG 97 HH22 ARG 97 4.419 -0.600 -53.766 572 H SER 98 H SER 98 3.464 -9.833 -52.883 573 HA SER 98 HA SER 98 5.306 -9.543 -55.094 574 HB2 SER 98 HB2 SER 98 5.581 -11.174 -52.565 575 HB3 SER 98 HB3 SER 98 6.875 -10.713 -53.671 576 HG SER 98 HG SER 98 6.857 -8.725 -52.910 577 H CYS 99 H CYS 99 2.687 -11.417 -54.629 578 HA CYS 99 HA CYS 99 3.823 -13.913 -55.582 579 HB2 CYS 99 HB2 CYS 99 1.316 -13.092 -54.320 580 HB3 CYS 99 HB3 CYS 99 1.129 -14.316 -55.569 581 H SER 100 H SER 100 3.483 -14.823 -57.529 582 HA SER 100 HA SER 100 2.787 -13.100 -59.705 583 HB2 SER 100 HB2 SER 100 3.192 -15.350 -60.955 584 HB3 SER 100 HB3 SER 100 4.556 -14.550 -60.168 585 HG SER 100 HG SER 100 3.949 -16.968 -59.775 586 H CYS 101 H CYS 101 1.213 -15.444 -57.749 587 HA CYS 101 HA CYS 101 -0.879 -16.090 -59.592 588 HB2 CYS 101 HB2 CYS 101 -0.382 -16.676 -56.689 589 HB3 CYS 101 HB3 CYS 101 -1.901 -17.110 -57.462 590 H LYS 102 H LYS 102 -0.273 -13.300 -58.005 591 HA LYS 102 HA LYS 102 -2.912 -12.788 -57.024 592 HB2 LYS 102 HB2 LYS 102 -0.556 -10.936 -57.435 593 HB3 LYS 102 HB3 LYS 102 -2.078 -10.446 -56.707 594 HG2 LYS 102 HG2 LYS 102 -0.048 -12.375 -55.646 595 HG3 LYS 102 HG3 LYS 102 -0.606 -10.862 -54.928 596 HD2 LYS 102 HD2 LYS 102 -2.895 -11.924 -54.795 597 HD3 LYS 102 HD3 LYS 102 -2.113 -13.452 -55.208 598 HE2 LYS 102 HE2 LYS 102 -2.276 -13.394 -52.837 599 HE3 LYS 102 HE3 LYS 102 -0.588 -13.076 -53.231 600 HZ1 LYS 102 HZ1 LYS 102 -1.113 -10.649 -52.973 601 HZ2 LYS 102 HZ2 LYS 102 -1.260 -11.544 -51.548 602 HZ3 LYS 102 HZ3 LYS 102 -2.642 -11.092 -52.408 Start of MODEL 9 1 HA2 GLY 1 HA2 GLY 1 -4.734 -23.186 -38.035 2 HA3 GLY 1 HA3 GLY 1 -4.144 -22.824 -39.650 3 H SER 2 H SER 2 -6.447 -20.707 -39.598 4 HA SER 2 HA SER 2 -4.739 -18.546 -38.795 5 HB2 SER 2 HB2 SER 2 -6.320 -18.487 -40.780 6 HB3 SER 2 HB3 SER 2 -7.647 -18.380 -39.627 7 HG SER 2 HG SER 2 -5.504 -16.546 -39.949 8 H MET 3 H MET 3 -4.467 -18.246 -36.696 9 HA MET 3 HA MET 3 -6.769 -18.514 -34.906 10 HB2 MET 3 HB2 MET 3 -3.814 -18.552 -34.286 11 HB3 MET 3 HB3 MET 3 -5.093 -18.680 -33.091 12 HG2 MET 3 HG2 MET 3 -5.844 -20.759 -34.074 13 HG3 MET 3 HG3 MET 3 -4.625 -20.622 -35.337 14 HE1 MET 3 HE1 MET 3 -5.038 -23.201 -33.471 15 HE2 MET 3 HE2 MET 3 -3.354 -23.622 -33.163 16 HE3 MET 3 HE3 MET 3 -3.849 -23.090 -34.770 17 H SER 4 H SER 4 -7.079 -16.960 -33.241 18 HA SER 4 HA SER 4 -6.494 -14.272 -34.118 19 HB2 SER 4 HB2 SER 4 -8.016 -15.244 -31.687 20 HB3 SER 4 HB3 SER 4 -7.989 -13.590 -32.299 21 HG SER 4 HG SER 4 -8.767 -15.690 -34.007 22 H SER 5 H SER 5 -4.145 -15.168 -33.707 23 HA SER 5 HA SER 5 -3.248 -13.940 -31.229 24 HB2 SER 5 HB2 SER 5 -2.338 -16.670 -32.175 25 HB3 SER 5 HB3 SER 5 -1.718 -15.801 -30.771 26 HG SER 5 HG SER 5 -4.310 -15.860 -30.466 27 H VAL 6 H VAL 6 -1.381 -12.813 -31.504 28 HA VAL 6 HA VAL 6 -0.554 -12.275 -34.139 29 HB VAL 6 HB VAL 6 -0.476 -10.527 -32.482 30 HG11 VAL 6 HG11 VAL 6 1.626 -12.148 -31.057 31 HG12 VAL 6 HG12 VAL 6 -0.006 -11.804 -30.484 32 HG13 VAL 6 HG13 VAL 6 1.164 -10.494 -30.653 33 HG21 VAL 6 HG21 VAL 6 2.286 -11.243 -33.444 34 HG22 VAL 6 HG22 VAL 6 1.800 -9.659 -32.840 35 HG23 VAL 6 HG23 VAL 6 1.069 -10.306 -34.308 36 H PHE 7 H PHE 7 0.441 -13.756 -35.296 37 HA PHE 7 HA PHE 7 2.151 -15.748 -34.209 38 HB2 PHE 7 HB2 PHE 7 1.704 -14.975 -37.089 39 HB3 PHE 7 HB3 PHE 7 2.553 -16.419 -36.552 40 HD1 PHE 7 HD1 PHE 7 -0.588 -15.016 -37.437 41 HD2 PHE 7 HD2 PHE 7 1.237 -18.083 -35.118 42 HE1 PHE 7 HE1 PHE 7 -2.719 -16.246 -37.389 43 HE2 PHE 7 HE2 PHE 7 -0.890 -19.314 -35.070 44 HZ PHE 7 HZ PHE 7 -2.867 -18.399 -36.204 45 H GLY 8 H GLY 8 2.635 -12.741 -35.696 46 HA2 GLY 8 HA2 GLY 8 5.397 -12.959 -36.135 47 HA3 GLY 8 HA3 GLY 8 4.446 -11.489 -35.962 48 H ALA 9 H ALA 9 3.503 -12.430 -33.296 49 HA ALA 9 HA ALA 9 3.937 -12.051 -31.107 50 HB1 ALA 9 HB1 ALA 9 6.680 -13.100 -31.762 51 HB2 ALA 9 HB2 ALA 9 5.264 -14.090 -31.409 52 HB3 ALA 9 HB3 ALA 9 5.930 -13.029 -30.167 53 H GLY 10 H GLY 10 4.831 -9.988 -33.210 54 HA2 GLY 10 HA2 GLY 10 6.738 -8.506 -31.545 55 HA3 GLY 10 HA3 GLY 10 6.428 -8.208 -33.249 56 H CYS 11 H CYS 11 4.242 -8.515 -30.468 57 HA CYS 11 HA CYS 11 2.847 -6.126 -31.309 58 HB2 CYS 11 HB2 CYS 11 2.320 -8.354 -29.470 59 HB3 CYS 11 HB3 CYS 11 1.755 -6.794 -28.885 60 H THR 12 H THR 12 2.448 -4.357 -29.846 61 HA THR 12 HA THR 12 4.805 -3.821 -28.195 62 HB THR 12 HB THR 12 4.586 -2.208 -29.983 63 HG1 THR 12 HG1 THR 12 5.247 -1.226 -28.113 64 HG21 THR 12 HG21 THR 12 1.789 -1.689 -28.971 65 HG22 THR 12 HG22 THR 12 2.206 -2.508 -30.477 66 HG23 THR 12 HG23 THR 12 2.600 -0.802 -30.261 67 H ASP 13 H ASP 13 4.466 -2.616 -26.210 68 HA ASP 13 HA ASP 13 2.328 -3.640 -24.636 69 HB2 ASP 13 HB2 ASP 13 4.490 -3.024 -23.636 70 HB3 ASP 13 HB3 ASP 13 4.242 -1.346 -24.102 71 H THR 14 H THR 14 2.883 -0.732 -26.452 72 HA THR 14 HA THR 14 0.810 0.881 -25.468 73 HB THR 14 HB THR 14 1.906 0.804 -28.290 74 HG1 THR 14 HG1 THR 14 3.448 2.312 -27.461 75 HG21 THR 14 HG21 THR 14 0.175 2.323 -28.391 76 HG22 THR 14 HG22 THR 14 1.500 3.374 -27.873 77 HG23 THR 14 HG23 THR 14 0.339 2.763 -26.686 78 H CYS 15 H CYS 15 0.703 -1.997 -27.173 79 HA CYS 15 HA CYS 15 -1.783 -1.498 -28.559 80 HB2 CYS 15 HB2 CYS 15 0.142 -2.850 -29.460 81 HB3 CYS 15 HB3 CYS 15 -0.254 -4.064 -28.259 82 H LYS 16 H LYS 16 -0.869 -2.315 -25.456 83 HA LYS 16 HA LYS 16 -3.179 -4.062 -24.970 84 HB2 LYS 16 HB2 LYS 16 -1.021 -3.210 -23.035 85 HB3 LYS 16 HB3 LYS 16 -2.199 -4.493 -22.805 86 HG2 LYS 16 HG2 LYS 16 0.090 -4.448 -24.753 87 HG3 LYS 16 HG3 LYS 16 -0.083 -5.473 -23.323 88 HD2 LYS 16 HD2 LYS 16 -2.218 -6.332 -24.460 89 HD3 LYS 16 HD3 LYS 16 -1.569 -5.550 -25.909 90 HE2 LYS 16 HE2 LYS 16 -0.188 -7.696 -24.291 91 HE3 LYS 16 HE3 LYS 16 -0.955 -7.920 -25.859 92 HZ1 LYS 16 HZ1 LYS 16 1.429 -6.237 -25.287 93 HZ2 LYS 16 HZ2 LYS 16 0.654 -6.333 -26.789 94 HZ3 LYS 16 HZ3 LYS 16 1.403 -7.697 -26.138 95 H GLN 17 H GLN 17 -2.943 -0.992 -25.392 96 HA GLN 17 HA GLN 17 -3.936 -0.023 -22.840 97 HB2 GLN 17 HB2 GLN 17 -3.526 1.591 -25.345 98 HB3 GLN 17 HB3 GLN 17 -3.616 2.167 -23.689 99 HG2 GLN 17 HG2 GLN 17 -1.396 0.611 -24.974 100 HG3 GLN 17 HG3 GLN 17 -1.347 2.273 -24.399 101 HE21 GLN 17 HE21 GLN 17 -1.061 -1.033 -23.566 102 HE22 GLN 17 HE22 GLN 17 -0.625 -0.801 -21.919 103 H THR 18 H THR 18 -5.785 1.523 -22.914 104 HA THR 18 HA THR 18 -7.799 0.842 -24.916 105 HB THR 18 HB THR 18 -9.484 0.841 -22.929 106 HG1 THR 18 HG1 THR 18 -7.022 0.228 -21.622 107 HG21 THR 18 HG21 THR 18 -9.223 -1.587 -22.637 108 HG22 THR 18 HG22 THR 18 -7.611 -1.498 -23.349 109 HG23 THR 18 HG23 THR 18 -9.030 -1.125 -24.329 110 HA PRO 19 HA PRO 19 -8.488 1.835 -26.438 111 HB2 PRO 19 HB2 PRO 19 -7.953 3.790 -28.223 112 HB3 PRO 19 HB3 PRO 19 -9.542 3.613 -27.469 113 HG2 PRO 19 HG2 PRO 19 -7.309 5.487 -26.757 114 HG3 PRO 19 HG3 PRO 19 -9.043 5.823 -26.902 115 HD2 PRO 19 HD2 PRO 19 -7.822 5.424 -24.511 116 HD3 PRO 19 HD3 PRO 19 -9.511 4.962 -24.813 117 H CYS 20 H CYS 20 -6.932 1.212 -28.143 118 HA CYS 20 HA CYS 20 -4.299 0.933 -27.257 119 HB2 CYS 20 HB2 CYS 20 -5.654 0.523 -29.893 120 HB3 CYS 20 HB3 CYS 20 -3.902 0.456 -29.811 121 H GLY 21 H GLY 21 -2.449 2.044 -27.587 122 HA2 GLY 21 HA2 GLY 21 -2.747 4.785 -28.446 123 HA3 GLY 21 HA3 GLY 21 -1.302 4.050 -27.767 124 H CYS 22 H CYS 22 -2.133 1.934 -30.064 125 HA CYS 22 HA CYS 22 -0.087 2.675 -31.806 126 HB2 CYS 22 HB2 CYS 22 -2.324 0.691 -32.006 127 HB3 CYS 22 HB3 CYS 22 -1.327 1.011 -33.417 128 H GLY 23 H GLY 23 -3.596 2.615 -32.467 129 HA2 GLY 23 HA2 GLY 23 -4.928 3.954 -33.760 130 HA3 GLY 23 HA3 GLY 23 -3.675 5.182 -33.647 131 H SER 24 H SER 24 -2.821 5.764 -35.504 132 HA SER 24 HA SER 24 -3.062 3.964 -37.790 133 HB2 SER 24 HB2 SER 24 -2.464 6.074 -39.077 134 HB3 SER 24 HB3 SER 24 -4.010 6.099 -38.232 135 HG SER 24 HG SER 24 -1.575 7.338 -37.470 136 H GLY 25 H GLY 25 -0.964 4.167 -35.497 137 HA2 GLY 25 HA2 GLY 25 1.342 3.784 -37.276 138 HA3 GLY 25 HA3 GLY 25 1.493 4.838 -35.875 139 H CYS 26 H CYS 26 0.799 1.552 -36.887 140 HA CYS 26 HA CYS 26 0.918 0.496 -34.223 141 HB2 CYS 26 HB2 CYS 26 1.029 -0.961 -36.852 142 HB3 CYS 26 HB3 CYS 26 0.665 -1.657 -35.276 143 H ASN 27 H ASN 27 2.457 -0.790 -33.339 144 HA ASN 27 HA ASN 27 5.009 -1.031 -34.782 145 HB2 ASN 27 HB2 ASN 27 4.994 0.566 -32.760 146 HB3 ASN 27 HB3 ASN 27 4.762 -0.866 -31.767 147 HD21 ASN 27 HD21 ASN 27 6.487 -2.227 -31.402 148 HD22 ASN 27 HD22 ASN 27 8.096 -1.860 -31.900 149 H CYS 28 H CYS 28 2.396 -2.597 -34.133 150 HA CYS 28 HA CYS 28 3.585 -5.030 -33.061 151 HB2 CYS 28 HB2 CYS 28 1.281 -5.835 -32.846 152 HB3 CYS 28 HB3 CYS 28 1.464 -4.276 -32.053 153 H LYS 29 H LYS 29 1.858 -6.854 -34.321 154 HA LYS 29 HA LYS 29 2.920 -6.731 -37.057 155 HB2 LYS 29 HB2 LYS 29 2.106 -9.158 -35.468 156 HB3 LYS 29 HB3 LYS 29 2.855 -9.162 -37.052 157 HG2 LYS 29 HG2 LYS 29 4.137 -8.127 -34.530 158 HG3 LYS 29 HG3 LYS 29 4.438 -9.705 -35.254 159 HD2 LYS 29 HD2 LYS 29 4.942 -7.058 -36.622 160 HD3 LYS 29 HD3 LYS 29 6.176 -8.024 -35.811 161 HE2 LYS 29 HE2 LYS 29 5.824 -9.850 -37.350 162 HE3 LYS 29 HE3 LYS 29 4.481 -9.005 -38.106 163 HZ1 LYS 29 HZ1 LYS 29 6.496 -8.809 -39.415 164 HZ2 LYS 29 HZ2 LYS 29 7.305 -8.094 -38.119 165 HZ3 LYS 29 HZ3 LYS 29 6.010 -7.296 -38.850 166 H GLU 30 H GLU 30 1.567 -7.778 -38.725 167 HA GLU 30 HA GLU 30 -1.115 -6.796 -38.472 168 HB2 GLU 30 HB2 GLU 30 -1.395 -7.411 -40.802 169 HB3 GLU 30 HB3 GLU 30 0.104 -6.531 -40.566 170 HG2 GLU 30 HG2 GLU 30 1.270 -8.752 -40.548 171 HG3 GLU 30 HG3 GLU 30 -0.260 -9.465 -41.060 172 H ASP 31 H ASP 31 0.258 -9.568 -37.466 173 HA ASP 31 HA ASP 31 -1.759 -11.498 -38.095 174 HB2 ASP 31 HB2 ASP 31 0.183 -11.487 -35.768 175 HB3 ASP 31 HB3 ASP 31 -0.663 -12.888 -36.422 176 H CYS 32 H CYS 32 -1.546 -8.868 -36.023 177 HA CYS 32 HA CYS 32 -3.044 -9.722 -33.788 178 HB2 CYS 32 HB2 CYS 32 -1.503 -7.826 -33.729 179 HB3 CYS 32 HB3 CYS 32 -2.503 -6.960 -34.886 180 H ARG 33 H ARG 33 -5.197 -9.567 -33.329 181 HA ARG 33 HA ARG 33 -6.983 -8.871 -35.561 182 HB2 ARG 33 HB2 ARG 33 -7.329 -10.763 -33.242 183 HB3 ARG 33 HB3 ARG 33 -8.683 -10.225 -34.220 184 HG2 ARG 33 HG2 ARG 33 -6.267 -11.562 -35.382 185 HG3 ARG 33 HG3 ARG 33 -7.676 -12.452 -34.809 186 HD2 ARG 33 HD2 ARG 33 -9.093 -11.354 -36.425 187 HD3 ARG 33 HD3 ARG 33 -7.776 -10.285 -36.917 188 HE ARG 33 HE ARG 33 -6.633 -12.519 -37.505 189 HH11 ARG 33 HH11 ARG 33 -10.031 -11.800 -37.971 190 HH12 ARG 33 HH12 ARG 33 -10.223 -12.938 -39.250 191 HH21 ARG 33 HH21 ARG 33 -6.890 -14.017 -39.198 192 HH22 ARG 33 HH22 ARG 33 -8.433 -14.209 -39.951 193 H CYS 34 H CYS 34 -5.966 -6.783 -33.998 194 HA CYS 34 HA CYS 34 -8.016 -6.037 -32.110 195 HB2 CYS 34 HB2 CYS 34 -5.501 -4.840 -33.094 196 HB3 CYS 34 HB3 CYS 34 -6.738 -3.740 -32.487 197 H GLN 35 H GLN 35 -9.097 -3.897 -32.382 198 HA GLN 35 HA GLN 35 -10.046 -3.745 -35.159 199 HB2 GLN 35 HB2 GLN 35 -11.692 -2.810 -32.834 200 HB3 GLN 35 HB3 GLN 35 -12.221 -3.342 -34.421 201 HG2 GLN 35 HG2 GLN 35 -11.241 -5.062 -32.148 202 HG3 GLN 35 HG3 GLN 35 -12.873 -4.975 -32.794 203 HE21 GLN 35 HE21 GLN 35 -11.923 -4.966 -35.583 204 HE22 GLN 35 HE22 GLN 35 -11.410 -6.579 -35.913 205 H SER 36 H SER 36 -8.662 -2.069 -32.513 206 HA SER 36 HA SER 36 -9.409 0.554 -33.481 207 HB2 SER 36 HB2 SER 36 -7.583 -0.247 -31.214 208 HB3 SER 36 HB3 SER 36 -8.126 1.395 -31.566 209 HG SER 36 HG SER 36 -9.343 -0.402 -30.098 210 H CYS 37 H CYS 37 -6.731 -1.606 -33.868 211 HA CYS 37 HA CYS 37 -5.407 0.454 -35.492 212 HB2 CYS 37 HB2 CYS 37 -3.201 -0.561 -34.780 213 HB3 CYS 37 HB3 CYS 37 -4.052 0.332 -33.527 214 H LYS 38 H LYS 38 -7.257 -1.645 -36.120 215 HA LYS 38 HA LYS 38 -5.887 -3.879 -37.236 216 HB2 LYS 38 HB2 LYS 38 -8.368 -3.573 -36.471 217 HB3 LYS 38 HB3 LYS 38 -8.613 -3.004 -38.114 218 HG2 LYS 38 HG2 LYS 38 -7.258 -5.621 -37.652 219 HG3 LYS 38 HG3 LYS 38 -9.007 -5.506 -37.484 220 HD2 LYS 38 HD2 LYS 38 -7.457 -4.661 -39.915 221 HD3 LYS 38 HD3 LYS 38 -8.253 -6.224 -39.724 222 HE2 LYS 38 HE2 LYS 38 -10.397 -4.938 -39.309 223 HE3 LYS 38 HE3 LYS 38 -9.534 -3.497 -39.836 224 HZ1 LYS 38 HZ1 LYS 38 -10.801 -4.492 -41.636 225 HZ2 LYS 38 HZ2 LYS 38 -9.974 -5.945 -41.462 226 HZ3 LYS 38 HZ3 LYS 38 -9.149 -4.562 -41.987 227 H TYR 39 H TYR 39 -7.011 -0.794 -38.452 228 HA TYR 39 HA TYR 39 -6.503 -1.355 -41.206 229 HB2 TYR 39 HB2 TYR 39 -6.759 1.137 -41.474 230 HB3 TYR 39 HB3 TYR 39 -8.131 0.342 -40.719 231 HD1 TYR 39 HD1 TYR 39 -5.312 2.634 -40.194 232 HD2 TYR 39 HD2 TYR 39 -8.678 0.769 -38.386 233 HE1 TYR 39 HE1 TYR 39 -5.174 4.212 -38.317 234 HE2 TYR 39 HE2 TYR 39 -8.549 2.341 -36.505 235 HH TYR 39 HH TYR 39 -6.550 5.134 -36.569 236 H GLY 40 H GLY 40 -4.987 0.245 -42.431 237 HA2 GLY 40 HA2 GLY 40 -2.331 -0.204 -41.343 238 HA3 GLY 40 HA3 GLY 40 -2.712 0.419 -42.944 239 H ALA 41 H ALA 41 -4.080 2.587 -42.618 240 HA ALA 41 HA ALA 41 -2.953 4.283 -40.557 241 HB1 ALA 41 HB1 ALA 41 -1.300 4.422 -42.367 242 HB2 ALA 41 HB2 ALA 41 -2.144 5.954 -42.154 243 HB3 ALA 41 HB3 ALA 41 -2.574 4.890 -43.493 244 H GLY 42 H GLY 42 -4.730 4.387 -43.617 245 HA2 GLY 42 HA2 GLY 42 -7.126 5.240 -42.252 246 HA3 GLY 42 HA3 GLY 42 -6.405 6.455 -43.301 247 H CYS 43 H CYS 43 -7.993 3.343 -43.176 248 HA CYS 43 HA CYS 43 -8.056 3.231 -46.086 249 HB2 CYS 43 HB2 CYS 43 -7.596 1.217 -44.534 250 HB3 CYS 43 HB3 CYS 43 -9.337 1.225 -44.256 251 H THR 44 H THR 44 -10.474 1.936 -46.480 252 HA THR 44 HA THR 44 -12.288 4.209 -46.223 253 HB THR 44 HB THR 44 -13.636 2.962 -47.960 254 HG1 THR 44 HG1 THR 44 -11.313 1.381 -48.339 255 HG21 THR 44 HG21 THR 44 -10.765 3.586 -48.666 256 HG22 THR 44 HG22 THR 44 -12.067 4.769 -48.544 257 HG23 THR 44 HG23 THR 44 -12.121 3.526 -49.791 258 H ASP 45 H ASP 45 -14.674 3.591 -46.087 259 HA ASP 45 HA ASP 45 -15.020 1.987 -43.688 260 HB2 ASP 45 HB2 ASP 45 -16.049 4.248 -43.900 261 HB3 ASP 45 HB3 ASP 45 -17.050 3.625 -45.204 262 H VAL 46 H VAL 46 -15.914 1.962 -47.072 263 HA VAL 46 HA VAL 46 -17.868 -0.063 -47.039 264 HB VAL 46 HB VAL 46 -15.891 0.525 -49.272 265 HG11 VAL 46 HG11 VAL 46 -17.606 -0.377 -50.750 266 HG12 VAL 46 HG12 VAL 46 -18.597 -0.789 -49.351 267 HG13 VAL 46 HG13 VAL 46 -17.040 -1.581 -49.593 268 HG21 VAL 46 HG21 VAL 46 -18.625 1.685 -48.748 269 HG22 VAL 46 HG22 VAL 46 -17.608 2.024 -50.151 270 HG23 VAL 46 HG23 VAL 46 -17.095 2.534 -48.541 271 H CYS 47 H CYS 47 -14.432 -0.157 -46.933 272 HA CYS 47 HA CYS 47 -14.169 -2.936 -47.490 273 HB2 CYS 47 HB2 CYS 47 -12.396 -1.350 -47.983 274 HB3 CYS 47 HB3 CYS 47 -12.278 -0.923 -46.280 275 H LYS 48 H LYS 48 -15.050 -1.116 -44.740 276 HA LYS 48 HA LYS 48 -14.123 -3.131 -42.851 277 HB2 LYS 48 HB2 LYS 48 -15.577 -0.530 -42.383 278 HB3 LYS 48 HB3 LYS 48 -14.921 -1.578 -41.131 279 HG2 LYS 48 HG2 LYS 48 -12.682 -1.216 -41.963 280 HG3 LYS 48 HG3 LYS 48 -13.324 -0.236 -43.284 281 HD2 LYS 48 HD2 LYS 48 -14.125 1.411 -41.738 282 HD3 LYS 48 HD3 LYS 48 -13.653 0.411 -40.361 283 HE2 LYS 48 HE2 LYS 48 -11.308 0.591 -41.045 284 HE3 LYS 48 HE3 LYS 48 -11.785 1.590 -42.416 285 HZ1 LYS 48 HZ1 LYS 48 -10.975 2.898 -40.529 286 HZ2 LYS 48 HZ2 LYS 48 -12.231 2.303 -39.571 287 HZ3 LYS 48 HZ3 LYS 48 -12.577 3.265 -40.912 288 H GLN 49 H GLN 49 -16.529 -3.057 -44.873 289 HA GLN 49 HA GLN 49 -18.832 -3.571 -43.279 290 HB2 GLN 49 HB2 GLN 49 -18.187 -4.269 -46.141 291 HB3 GLN 49 HB3 GLN 49 -19.745 -4.572 -45.393 292 HG2 GLN 49 HG2 GLN 49 -19.999 -2.156 -45.010 293 HG3 GLN 49 HG3 GLN 49 -18.452 -1.893 -45.810 294 HE21 GLN 49 HE21 GLN 49 -19.568 -0.591 -47.331 295 HE22 GLN 49 HE22 GLN 49 -20.456 -1.305 -48.633 296 H THR 50 H THR 50 -19.952 -5.651 -43.183 297 HA THR 50 HA THR 50 -18.319 -8.027 -43.547 298 HB THR 50 HB THR 50 -19.675 -7.429 -40.901 299 HG1 THR 50 HG1 THR 50 -17.256 -6.706 -41.852 300 HG21 THR 50 HG21 THR 50 -18.528 -9.467 -40.145 301 HG22 THR 50 HG22 THR 50 -17.872 -9.700 -41.766 302 HG23 THR 50 HG23 THR 50 -19.611 -9.812 -41.496 303 HA PRO 51 HA PRO 51 -18.541 -9.620 -44.850 304 HB2 PRO 51 HB2 PRO 51 -19.442 -9.926 -47.395 305 HB3 PRO 51 HB3 PRO 51 -19.689 -11.143 -46.136 306 HG2 PRO 51 HG2 PRO 51 -21.569 -9.036 -47.126 307 HG3 PRO 51 HG3 PRO 51 -21.892 -10.745 -46.780 308 HD2 PRO 51 HD2 PRO 51 -22.543 -8.797 -45.039 309 HD3 PRO 51 HD3 PRO 51 -21.995 -10.393 -44.499 310 H CYS 52 H CYS 52 -17.132 -8.774 -46.489 311 HA CYS 52 HA CYS 52 -16.975 -5.987 -46.343 312 HB2 CYS 52 HB2 CYS 52 -15.116 -7.704 -46.644 313 HB3 CYS 52 HB3 CYS 52 -15.527 -7.660 -48.357 314 H GLY 53 H GLY 53 -17.103 -4.381 -47.971 315 HA2 GLY 53 HA2 GLY 53 -19.172 -5.043 -49.934 316 HA3 GLY 53 HA3 GLY 53 -18.820 -3.437 -49.322 317 H CYS 54 H CYS 54 -15.831 -4.428 -49.869 318 HA CYS 54 HA CYS 54 -15.498 -2.923 -52.193 319 HB2 CYS 54 HB2 CYS 54 -13.755 -4.865 -50.753 320 HB3 CYS 54 HB3 CYS 54 -13.258 -4.263 -52.331 321 H ALA 55 H ALA 55 -16.429 -6.216 -51.826 322 HA ALA 55 HA ALA 55 -15.656 -7.026 -54.469 323 HB1 ALA 55 HB1 ALA 55 -16.860 -9.089 -53.974 324 HB2 ALA 55 HB2 ALA 55 -17.529 -8.358 -52.515 325 HB3 ALA 55 HB3 ALA 55 -15.795 -8.648 -52.639 326 H THR 56 H THR 56 -18.243 -5.268 -53.149 327 HA THR 56 HA THR 56 -20.015 -5.910 -55.395 328 HB THR 56 HB THR 56 -20.643 -4.331 -52.890 329 HG1 THR 56 HG1 THR 56 -20.597 -7.062 -53.461 330 HG21 THR 56 HG21 THR 56 -22.117 -3.872 -54.824 331 HG22 THR 56 HG22 THR 56 -22.973 -4.703 -53.526 332 HG23 THR 56 HG23 THR 56 -22.459 -5.597 -54.956 333 H SER 57 H SER 57 -18.615 -3.111 -53.670 334 HA SER 57 HA SER 57 -19.542 -1.330 -55.768 335 HB2 SER 57 HB2 SER 57 -18.453 0.414 -54.271 336 HB3 SER 57 HB3 SER 57 -19.808 -0.472 -53.570 337 HG SER 57 HG SER 57 -17.225 -0.370 -52.768 338 H GLY 58 H GLY 58 -16.533 -2.628 -54.513 339 HA2 GLY 58 HA2 GLY 58 -14.826 -2.955 -56.322 340 HA3 GLY 58 HA3 GLY 58 -15.100 -1.253 -56.688 341 H CYS 59 H CYS 59 -12.592 -2.335 -55.995 342 HA CYS 59 HA CYS 59 -12.087 -1.863 -53.227 343 HB2 CYS 59 HB2 CYS 59 -10.433 -2.551 -55.584 344 HB3 CYS 59 HB3 CYS 59 -9.636 -1.846 -54.182 345 H ASN 60 H ASN 60 -11.136 -0.228 -52.245 346 HA ASN 60 HA ASN 60 -10.214 2.055 -53.792 347 HB2 ASN 60 HB2 ASN 60 -12.668 2.372 -53.146 348 HB3 ASN 60 HB3 ASN 60 -12.124 2.418 -51.472 349 HD21 ASN 60 HD21 ASN 60 -12.906 4.561 -51.292 350 HD22 ASN 60 HD22 ASN 60 -12.026 5.884 -51.976 351 H CYS 61 H CYS 61 -9.177 -0.174 -52.081 352 HA CYS 61 HA CYS 61 -7.758 1.439 -50.078 353 HB2 CYS 61 HB2 CYS 61 -7.581 -0.635 -48.730 354 HB3 CYS 61 HB3 CYS 61 -9.243 -0.135 -48.989 355 H THR 62 H THR 62 -6.073 -1.036 -49.555 356 HA THR 62 HA THR 62 -4.275 -0.713 -51.853 357 HB THR 62 HB THR 62 -2.523 -1.489 -50.142 358 HG1 THR 62 HG1 THR 62 -3.108 -1.305 -47.977 359 HG21 THR 62 HG21 THR 62 -2.689 0.843 -50.900 360 HG22 THR 62 HG22 THR 62 -2.274 0.764 -49.188 361 HG23 THR 62 HG23 THR 62 -3.922 1.154 -49.678 362 H ASP 63 H ASP 63 -2.899 -2.658 -52.308 363 HA ASP 63 HA ASP 63 -4.488 -5.059 -52.360 364 HB2 ASP 63 HB2 ASP 63 -1.582 -4.651 -53.116 365 HB3 ASP 63 HB3 ASP 63 -2.529 -6.101 -53.433 366 H ASP 64 H ASP 64 -1.748 -3.845 -50.606 367 HA ASP 64 HA ASP 64 -1.324 -6.231 -49.065 368 HB2 ASP 64 HB2 ASP 64 0.360 -4.311 -49.659 369 HB3 ASP 64 HB3 ASP 64 -0.324 -3.535 -48.239 370 H CYS 65 H CYS 65 -4.009 -5.099 -48.976 371 HA CYS 65 HA CYS 65 -4.216 -4.096 -46.277 372 HB2 CYS 65 HB2 CYS 65 -5.711 -3.327 -48.192 373 HB3 CYS 65 HB3 CYS 65 -6.461 -4.921 -48.119 374 H LYS 66 H LYS 66 -4.969 -5.291 -44.576 375 HA LYS 66 HA LYS 66 -4.523 -8.116 -44.652 376 HB2 LYS 66 HB2 LYS 66 -5.870 -6.565 -42.446 377 HB3 LYS 66 HB3 LYS 66 -4.991 -8.081 -42.311 378 HG2 LYS 66 HG2 LYS 66 -2.914 -6.975 -42.767 379 HG3 LYS 66 HG3 LYS 66 -3.754 -5.450 -43.069 380 HD2 LYS 66 HD2 LYS 66 -4.659 -5.690 -40.702 381 HD3 LYS 66 HD3 LYS 66 -3.428 -6.934 -40.484 382 HE2 LYS 66 HE2 LYS 66 -1.678 -5.345 -40.988 383 HE3 LYS 66 HE3 LYS 66 -2.869 -4.110 -41.380 384 HZ1 LYS 66 HZ1 LYS 66 -1.899 -3.862 -39.149 385 HZ2 LYS 66 HZ2 LYS 66 -2.575 -5.342 -38.693 386 HZ3 LYS 66 HZ3 LYS 66 -3.576 -4.045 -39.115 387 H CYS 67 H CYS 67 -6.674 -7.215 -46.374 388 HA CYS 67 HA CYS 67 -8.903 -8.598 -45.101 389 HB2 CYS 67 HB2 CYS 67 -8.965 -6.000 -45.762 390 HB3 CYS 67 HB3 CYS 67 -9.486 -6.705 -47.291 391 H GLN 68 H GLN 68 -8.593 -10.582 -45.905 392 HA GLN 68 HA GLN 68 -7.902 -11.101 -48.626 393 HB2 GLN 68 HB2 GLN 68 -9.023 -12.963 -46.519 394 HB3 GLN 68 HB3 GLN 68 -8.303 -13.460 -48.044 395 HG2 GLN 68 HG2 GLN 68 -6.891 -12.020 -45.805 396 HG3 GLN 68 HG3 GLN 68 -6.729 -13.727 -46.211 397 HE21 GLN 68 HE21 GLN 68 -4.771 -11.497 -46.142 398 HE22 GLN 68 HE22 GLN 68 -4.038 -11.490 -47.696 399 H SER 69 H SER 69 -10.649 -9.997 -47.265 400 HA SER 69 HA SER 69 -12.684 -11.442 -48.565 401 HB2 SER 69 HB2 SER 69 -12.893 -8.543 -47.812 402 HB3 SER 69 HB3 SER 69 -14.114 -9.812 -47.698 403 HG SER 69 HG SER 69 -12.593 -8.975 -45.779 404 H CYS 70 H CYS 70 -10.672 -8.691 -49.461 405 HA CYS 70 HA CYS 70 -11.957 -8.700 -52.100 406 HB2 CYS 70 HB2 CYS 70 -11.299 -6.228 -52.150 407 HB3 CYS 70 HB3 CYS 70 -12.676 -6.697 -51.156 408 H SER 71 H SER 71 -8.919 -8.422 -50.309 409 HA SER 71 HA SER 71 -7.322 -7.845 -52.574 410 HB2 SER 71 HB2 SER 71 -6.519 -7.464 -50.261 411 HB3 SER 71 HB3 SER 71 -6.481 -9.209 -49.996 412 HG SER 71 HG SER 71 -4.514 -7.820 -50.822 413 H THR 72 H THR 72 -5.759 -9.291 -53.539 414 HA THR 72 HA THR 72 -7.038 -11.533 -54.659 415 HB THR 72 HB THR 72 -5.470 -10.315 -55.988 416 HG1 THR 72 HG1 THR 72 -4.417 -12.015 -56.862 417 HG21 THR 72 HG21 THR 72 -4.001 -9.460 -54.268 418 HG22 THR 72 HG22 THR 72 -3.046 -10.312 -55.481 419 HG23 THR 72 HG23 THR 72 -3.400 -11.082 -53.932 420 H ALA 73 H ALA 73 -6.813 -13.668 -54.359 421 HA ALA 73 HA ALA 73 -5.871 -14.544 -51.784 422 HB1 ALA 73 HB1 ALA 73 -7.078 -16.151 -54.032 423 HB2 ALA 73 HB2 ALA 73 -7.975 -15.405 -52.710 424 HB3 ALA 73 HB3 ALA 73 -6.823 -16.700 -52.375 425 H CYS 74 H CYS 74 -4.589 -16.560 -51.622 426 HA CYS 74 HA CYS 74 -2.077 -16.231 -52.880 427 HB2 CYS 74 HB2 CYS 74 -2.900 -17.359 -50.602 428 HB3 CYS 74 HB3 CYS 74 -2.770 -18.802 -51.604 429 H LYS 75 H LYS 75 -1.090 -17.343 -54.487 430 HA LYS 75 HA LYS 75 -2.895 -18.947 -56.149 431 HB2 LYS 75 HB2 LYS 75 -0.289 -17.641 -56.925 432 HB3 LYS 75 HB3 LYS 75 -1.405 -18.457 -58.006 433 HG2 LYS 75 HG2 LYS 75 -1.879 -15.882 -56.515 434 HG3 LYS 75 HG3 LYS 75 -1.678 -16.092 -58.256 435 HD2 LYS 75 HD2 LYS 75 -3.733 -17.477 -58.277 436 HD3 LYS 75 HD3 LYS 75 -3.948 -17.133 -56.562 437 HE2 LYS 75 HE2 LYS 75 -5.342 -15.649 -57.837 438 HE3 LYS 75 HE3 LYS 75 -4.035 -14.721 -57.102 439 HZ1 LYS 75 HZ1 LYS 75 -4.088 -15.671 -59.916 440 HZ2 LYS 75 HZ2 LYS 75 -2.872 -14.737 -59.208 441 HZ3 LYS 75 HZ3 LYS 75 -4.419 -14.095 -59.405 442 H CYS 76 H CYS 76 -0.700 -19.501 -53.835 443 HA CYS 76 HA CYS 76 0.743 -21.635 -55.120 444 HB2 CYS 76 HB2 CYS 76 0.539 -20.853 -52.189 445 HB3 CYS 76 HB3 CYS 76 1.628 -22.067 -52.859 446 H ALA 77 H ALA 77 0.574 -23.884 -54.089 447 HA ALA 77 HA ALA 77 -2.190 -24.454 -53.251 448 HB1 ALA 77 HB1 ALA 77 -2.028 -24.819 -55.660 449 HB2 ALA 77 HB2 ALA 77 -2.310 -26.327 -54.785 450 HB3 ALA 77 HB3 ALA 77 -0.698 -25.946 -55.390 451 H ALA 78 H ALA 78 -2.415 -26.765 -52.520 452 HA ALA 78 HA ALA 78 -0.526 -27.338 -50.500 453 HB1 ALA 78 HB1 ALA 78 -2.671 -29.124 -51.638 454 HB2 ALA 78 HB2 ALA 78 -2.895 -27.956 -50.335 455 HB3 ALA 78 HB3 ALA 78 -1.838 -29.345 -50.100 456 H GLY 79 H GLY 79 1.484 -27.658 -51.279 457 HA2 GLY 79 HA2 GLY 79 3.009 -29.497 -51.720 458 HA3 GLY 79 HA3 GLY 79 1.860 -30.077 -52.918 459 H SER 80 H SER 80 1.919 -26.786 -53.140 460 HA SER 80 HA SER 80 4.262 -26.659 -54.849 461 HB2 SER 80 HB2 SER 80 1.493 -25.969 -55.864 462 HB3 SER 80 HB3 SER 80 3.003 -25.740 -56.748 463 HG SER 80 HG SER 80 3.121 -28.207 -56.102 464 H CYS 81 H CYS 81 5.187 -25.198 -53.496 465 HA CYS 81 HA CYS 81 3.814 -22.609 -53.170 466 HB2 CYS 81 HB2 CYS 81 4.467 -24.049 -51.102 467 HB3 CYS 81 HB3 CYS 81 6.120 -23.589 -51.482 468 H LYS 82 H LYS 82 4.545 -21.465 -54.922 469 HA LYS 82 HA LYS 82 7.153 -21.997 -55.978 470 HB2 LYS 82 HB2 LYS 82 6.609 -20.465 -57.791 471 HB3 LYS 82 HB3 LYS 82 5.367 -21.674 -57.542 472 HG2 LYS 82 HG2 LYS 82 4.787 -19.289 -56.035 473 HG3 LYS 82 HG3 LYS 82 5.024 -18.922 -57.738 474 HD2 LYS 82 HD2 LYS 82 3.202 -21.043 -56.665 475 HD3 LYS 82 HD3 LYS 82 2.682 -19.436 -57.180 476 HE2 LYS 82 HE2 LYS 82 3.527 -19.937 -59.442 477 HE3 LYS 82 HE3 LYS 82 3.970 -21.551 -58.892 478 HZ1 LYS 82 HZ1 LYS 82 1.671 -22.042 -58.476 479 HZ2 LYS 82 HZ2 LYS 82 1.838 -21.492 -60.066 480 HZ3 LYS 82 HZ3 LYS 82 1.210 -20.468 -58.884 481 H CYS 83 H CYS 83 5.778 -19.338 -54.141 482 HA CYS 83 HA CYS 83 7.965 -17.580 -54.678 483 HB2 CYS 83 HB2 CYS 83 7.017 -16.166 -52.960 484 HB3 CYS 83 HB3 CYS 83 5.720 -16.809 -53.963 485 H GLY 84 H GLY 84 7.222 -19.949 -52.203 486 HA2 GLY 84 HA2 GLY 84 8.864 -21.158 -51.026 487 HA3 GLY 84 HA3 GLY 84 10.025 -19.894 -51.390 488 H LYS 85 H LYS 85 6.994 -18.777 -50.177 489 HA LYS 85 HA LYS 85 8.309 -17.866 -47.781 490 HB2 LYS 85 HB2 LYS 85 5.458 -17.551 -48.729 491 HB3 LYS 85 HB3 LYS 85 6.068 -16.865 -47.232 492 HG2 LYS 85 HG2 LYS 85 7.136 -16.222 -49.976 493 HG3 LYS 85 HG3 LYS 85 5.969 -15.242 -49.089 494 HD2 LYS 85 HD2 LYS 85 7.641 -14.931 -47.287 495 HD3 LYS 85 HD3 LYS 85 8.808 -15.863 -48.232 496 HE2 LYS 85 HE2 LYS 85 8.690 -14.222 -50.029 497 HE3 LYS 85 HE3 LYS 85 7.476 -13.310 -49.139 498 HZ1 LYS 85 HZ1 LYS 85 10.252 -13.785 -48.200 499 HZ2 LYS 85 HZ2 LYS 85 9.090 -12.814 -47.452 500 HZ3 LYS 85 HZ3 LYS 85 9.720 -12.369 -48.950 501 H GLY 86 H GLY 86 5.903 -20.286 -48.621 502 HA2 GLY 86 HA2 GLY 86 6.096 -22.352 -47.337 503 HA3 GLY 86 HA3 GLY 86 6.261 -21.363 -45.896 504 H CYS 87 H CYS 87 3.935 -20.364 -48.223 505 HA CYS 87 HA CYS 87 1.807 -21.453 -46.527 506 HB2 CYS 87 HB2 CYS 87 0.542 -19.458 -47.675 507 HB3 CYS 87 HB3 CYS 87 1.542 -19.211 -46.246 508 H THR 88 H THR 88 1.169 -23.237 -47.578 509 HA THR 88 HA THR 88 1.076 -23.343 -50.447 510 HB THR 88 HB THR 88 0.169 -25.672 -49.987 511 HG1 THR 88 HG1 THR 88 1.177 -25.331 -47.370 512 HG21 THR 88 HG21 THR 88 2.382 -26.534 -49.350 513 HG22 THR 88 HG22 THR 88 2.870 -24.907 -48.875 514 HG23 THR 88 HG23 THR 88 2.503 -25.260 -50.563 515 H GLY 89 H GLY 89 -0.561 -21.403 -49.865 516 HA2 GLY 89 HA2 GLY 89 -2.757 -21.442 -51.137 517 HA3 GLY 89 HA3 GLY 89 -3.265 -22.552 -49.878 518 HA PRO 90 HA PRO 90 -3.983 -17.860 -48.973 519 HB2 PRO 90 HB2 PRO 90 -6.728 -18.117 -48.911 520 HB3 PRO 90 HB3 PRO 90 -5.803 -17.533 -50.302 521 HG2 PRO 90 HG2 PRO 90 -6.904 -20.246 -49.745 522 HG3 PRO 90 HG3 PRO 90 -6.842 -19.359 -51.280 523 HD2 PRO 90 HD2 PRO 90 -5.123 -21.341 -50.746 524 HD3 PRO 90 HD3 PRO 90 -4.612 -19.892 -51.635 525 H ASP 91 H ASP 91 -5.498 -20.817 -47.842 526 HA ASP 91 HA ASP 91 -6.434 -19.842 -45.369 527 HB2 ASP 91 HB2 ASP 91 -5.677 -22.630 -46.225 528 HB3 ASP 91 HB3 ASP 91 -6.510 -22.247 -44.720 529 H SER 92 H SER 92 -3.311 -20.674 -46.472 530 HA SER 92 HA SER 92 -2.286 -20.569 -43.719 531 HB2 SER 92 HB2 SER 92 -0.956 -21.785 -46.152 532 HB3 SER 92 HB3 SER 92 -0.371 -21.849 -44.489 533 HG SER 92 HG SER 92 -1.444 -23.767 -45.036 534 H CYS 93 H CYS 93 -2.685 -18.766 -46.444 535 HA CYS 93 HA CYS 93 -0.078 -17.579 -46.584 536 HB2 CYS 93 HB2 CYS 93 -1.423 -17.723 -48.614 537 HB3 CYS 93 HB3 CYS 93 -2.672 -16.725 -47.879 538 H LYS 94 H LYS 94 0.658 -16.118 -45.341 539 HA LYS 94 HA LYS 94 -1.170 -14.384 -43.797 540 HB2 LYS 94 HB2 LYS 94 0.731 -13.949 -42.362 541 HB3 LYS 94 HB3 LYS 94 0.577 -15.691 -42.570 542 HG2 LYS 94 HG2 LYS 94 2.389 -15.770 -44.085 543 HG3 LYS 94 HG3 LYS 94 2.419 -14.017 -44.249 544 HD2 LYS 94 HD2 LYS 94 3.131 -13.814 -41.926 545 HD3 LYS 94 HD3 LYS 94 3.079 -15.572 -41.755 546 HE2 LYS 94 HE2 LYS 94 4.722 -15.702 -43.643 547 HE3 LYS 94 HE3 LYS 94 4.879 -13.951 -43.537 548 HZ1 LYS 94 HZ1 LYS 94 6.618 -15.075 -42.308 549 HZ2 LYS 94 HZ2 LYS 94 5.473 -15.872 -41.359 550 HZ3 LYS 94 HZ3 LYS 94 5.630 -14.193 -41.259 551 H CYS 95 H CYS 95 0.264 -14.370 -46.666 552 HA CYS 95 HA CYS 95 1.433 -11.707 -46.439 553 HB2 CYS 95 HB2 CYS 95 1.762 -13.608 -48.733 554 HB3 CYS 95 HB3 CYS 95 2.752 -12.223 -48.288 555 H ASP 96 H ASP 96 0.300 -10.089 -47.170 556 HA ASP 96 HA ASP 96 -2.131 -10.487 -48.646 557 HB2 ASP 96 HB2 ASP 96 -0.748 -7.887 -47.967 558 HB3 ASP 96 HB3 ASP 96 -2.405 -8.062 -48.539 559 H ARG 97 H ARG 97 0.285 -8.044 -49.478 560 HA ARG 97 HA ARG 97 0.127 -9.062 -52.224 561 HB2 ARG 97 HB2 ARG 97 0.833 -6.915 -52.965 562 HB3 ARG 97 HB3 ARG 97 -0.427 -6.656 -51.765 563 HG2 ARG 97 HG2 ARG 97 1.229 -6.157 -50.088 564 HG3 ARG 97 HG3 ARG 97 2.521 -6.489 -51.240 565 HD2 ARG 97 HD2 ARG 97 1.823 -4.687 -52.612 566 HD3 ARG 97 HD3 ARG 97 0.417 -4.386 -51.600 567 HE ARG 97 HE ARG 97 2.750 -4.216 -50.035 568 HH11 ARG 97 HH11 ARG 97 1.098 -2.469 -52.601 569 HH12 ARG 97 HH12 ARG 97 1.668 -0.920 -52.092 570 HH21 ARG 97 HH21 ARG 97 3.501 -2.149 -49.350 571 HH22 ARG 97 HH22 ARG 97 3.053 -0.736 -50.241 572 H SER 98 H SER 98 1.935 -9.257 -49.511 573 HA SER 98 HA SER 98 4.579 -8.840 -50.428 574 HB2 SER 98 HB2 SER 98 3.695 -10.555 -48.107 575 HB3 SER 98 HB3 SER 98 5.269 -9.794 -48.334 576 HG SER 98 HG SER 98 3.363 -8.772 -47.003 577 H CYS 99 H CYS 99 2.405 -11.251 -51.176 578 HA CYS 99 HA CYS 99 4.438 -13.295 -51.462 579 HB2 CYS 99 HB2 CYS 99 1.784 -13.464 -50.864 580 HB3 CYS 99 HB3 CYS 99 1.782 -13.814 -52.591 581 H SER 100 H SER 100 5.372 -13.821 -53.321 582 HA SER 100 HA SER 100 5.398 -11.907 -55.397 583 HB2 SER 100 HB2 SER 100 6.576 -14.675 -55.480 584 HB3 SER 100 HB3 SER 100 7.121 -13.239 -56.351 585 HG SER 100 HG SER 100 7.241 -12.413 -53.986 586 H CYS 101 H CYS 101 3.358 -14.594 -54.921 587 HA CYS 101 HA CYS 101 2.998 -15.176 -57.723 588 HB2 CYS 101 HB2 CYS 101 1.459 -16.827 -57.038 589 HB3 CYS 101 HB3 CYS 101 2.756 -16.848 -55.847 590 H LYS 102 H LYS 102 1.688 -12.944 -55.470 591 HA LYS 102 HA LYS 102 -0.942 -12.740 -56.490 592 HB2 LYS 102 HB2 LYS 102 0.641 -10.574 -55.109 593 HB3 LYS 102 HB3 LYS 102 -1.105 -10.668 -55.251 594 HG2 LYS 102 HG2 LYS 102 0.699 -12.441 -53.628 595 HG3 LYS 102 HG3 LYS 102 -0.470 -11.269 -53.031 596 HD2 LYS 102 HD2 LYS 102 -2.263 -12.683 -54.146 597 HD3 LYS 102 HD3 LYS 102 -1.012 -13.905 -54.402 598 HE2 LYS 102 HE2 LYS 102 -2.021 -14.531 -52.364 599 HE3 LYS 102 HE3 LYS 102 -0.543 -13.686 -51.899 600 HZ1 LYS 102 HZ1 LYS 102 -2.382 -13.005 -50.541 601 HZ2 LYS 102 HZ2 LYS 102 -3.283 -12.540 -51.899 602 HZ3 LYS 102 HZ3 LYS 102 -1.864 -11.707 -51.492 Start of MODEL 10 1 HA2 GLY 1 HA2 GLY 1 -4.366 -12.088 -8.934 2 HA3 GLY 1 HA3 GLY 1 -4.281 -13.666 -8.166 3 H SER 2 H SER 2 -1.849 -13.296 -6.787 4 HA SER 2 HA SER 2 -2.808 -11.789 -4.531 5 HB2 SER 2 HB2 SER 2 -1.635 -13.949 -4.240 6 HB3 SER 2 HB3 SER 2 -0.181 -13.244 -4.939 7 HG SER 2 HG SER 2 -0.730 -13.307 -2.453 8 H MET 3 H MET 3 -0.030 -11.620 -6.718 9 HA MET 3 HA MET 3 0.695 -8.994 -5.697 10 HB2 MET 3 HB2 MET 3 2.484 -10.594 -6.179 11 HB3 MET 3 HB3 MET 3 1.933 -10.737 -7.842 12 HG2 MET 3 HG2 MET 3 2.457 -8.333 -8.162 13 HG3 MET 3 HG3 MET 3 3.133 -8.306 -6.536 14 HE1 MET 3 HE1 MET 3 5.406 -7.337 -7.588 15 HE2 MET 3 HE2 MET 3 4.670 -7.414 -9.188 16 HE3 MET 3 HE3 MET 3 6.262 -8.123 -8.916 17 H SER 4 H SER 4 0.743 -7.114 -7.031 18 HA SER 4 HA SER 4 -1.407 -6.657 -8.696 19 HB2 SER 4 HB2 SER 4 1.265 -5.238 -8.838 20 HB3 SER 4 HB3 SER 4 -0.304 -4.589 -9.316 21 HG SER 4 HG SER 4 -0.804 -5.179 -6.949 22 H SER 5 H SER 5 -1.792 -7.907 -10.433 23 HA SER 5 HA SER 5 0.425 -8.386 -12.292 24 HB2 SER 5 HB2 SER 5 -2.052 -10.068 -11.871 25 HB3 SER 5 HB3 SER 5 -0.706 -10.440 -12.949 26 HG SER 5 HG SER 5 -0.583 -10.194 -10.114 27 H VAL 6 H VAL 6 0.253 -7.618 -14.272 28 HA VAL 6 HA VAL 6 -2.111 -6.185 -15.072 29 HB VAL 6 HB VAL 6 -0.845 -5.593 -17.084 30 HG11 VAL 6 HG11 VAL 6 -0.419 -4.292 -15.082 31 HG12 VAL 6 HG12 VAL 6 1.070 -4.459 -16.011 32 HG13 VAL 6 HG13 VAL 6 0.815 -5.440 -14.570 33 HG21 VAL 6 HG21 VAL 6 1.288 -7.469 -16.049 34 HG22 VAL 6 HG22 VAL 6 1.428 -6.416 -17.457 35 HG23 VAL 6 HG23 VAL 6 0.272 -7.746 -17.463 36 H PHE 7 H PHE 7 -3.514 -6.796 -16.800 37 HA PHE 7 HA PHE 7 -3.131 -9.542 -17.737 38 HB2 PHE 7 HB2 PHE 7 -4.460 -9.508 -15.593 39 HB3 PHE 7 HB3 PHE 7 -5.728 -8.679 -16.486 40 HD1 PHE 7 HD1 PHE 7 -3.611 -11.734 -16.683 41 HD2 PHE 7 HD2 PHE 7 -7.394 -9.945 -17.433 42 HE1 PHE 7 HE1 PHE 7 -4.498 -13.910 -17.388 43 HE2 PHE 7 HE2 PHE 7 -8.284 -12.122 -18.141 44 HZ PHE 7 HZ PHE 7 -6.835 -14.105 -18.120 45 H GLY 8 H GLY 8 -2.760 -8.566 -19.783 46 HA2 GLY 8 HA2 GLY 8 -3.475 -8.317 -21.963 47 HA3 GLY 8 HA3 GLY 8 -5.110 -8.591 -21.402 48 H ALA 9 H ALA 9 -5.579 -6.519 -19.821 49 HA ALA 9 HA ALA 9 -5.978 -4.403 -21.738 50 HB1 ALA 9 HB1 ALA 9 -7.381 -3.375 -20.046 51 HB2 ALA 9 HB2 ALA 9 -6.794 -4.519 -18.838 52 HB3 ALA 9 HB3 ALA 9 -7.763 -5.090 -20.197 53 H GLY 10 H GLY 10 -3.348 -5.092 -20.094 54 HA2 GLY 10 HA2 GLY 10 -2.734 -2.520 -18.930 55 HA3 GLY 10 HA3 GLY 10 -1.648 -3.900 -19.064 56 H CYS 11 H CYS 11 -3.395 -1.810 -21.311 57 HA CYS 11 HA CYS 11 -1.126 -1.874 -23.107 58 HB2 CYS 11 HB2 CYS 11 -2.691 -0.564 -24.588 59 HB3 CYS 11 HB3 CYS 11 -3.240 -2.175 -24.143 60 H THR 12 H THR 12 -1.367 0.623 -24.306 61 HA THR 12 HA THR 12 -0.046 2.228 -22.285 62 HB THR 12 HB THR 12 1.143 1.974 -24.402 63 HG1 THR 12 HG1 THR 12 1.257 4.022 -23.299 64 HG21 THR 12 HG21 THR 12 -0.762 1.599 -25.886 65 HG22 THR 12 HG22 THR 12 0.252 2.907 -26.493 66 HG23 THR 12 HG23 THR 12 -1.266 3.275 -25.677 67 H ASP 13 H ASP 13 -0.645 4.363 -21.844 68 HA ASP 13 HA ASP 13 -3.416 4.813 -21.672 69 HB2 ASP 13 HB2 ASP 13 -1.680 5.745 -20.121 70 HB3 ASP 13 HB3 ASP 13 -1.217 6.870 -21.392 71 H THR 14 H THR 14 -1.130 5.455 -24.143 72 HA THR 14 HA THR 14 -2.413 7.610 -25.436 73 HB THR 14 HB THR 14 -0.756 5.517 -26.827 74 HG1 THR 14 HG1 THR 14 0.065 7.670 -25.138 75 HG21 THR 14 HG21 THR 14 -0.042 7.433 -28.168 76 HG22 THR 14 HG22 THR 14 -1.057 8.499 -27.182 77 HG23 THR 14 HG23 THR 14 -1.797 7.262 -28.195 78 H CYS 15 H CYS 15 -3.214 4.328 -25.188 79 HA CYS 15 HA CYS 15 -4.697 4.136 -27.639 80 HB2 CYS 15 HB2 CYS 15 -3.684 2.187 -26.647 81 HB3 CYS 15 HB3 CYS 15 -4.609 2.416 -25.171 82 H LYS 16 H LYS 16 -5.208 5.294 -24.480 83 HA LYS 16 HA LYS 16 -8.066 4.969 -24.401 84 HB2 LYS 16 HB2 LYS 16 -6.438 6.860 -22.717 85 HB3 LYS 16 HB3 LYS 16 -7.951 6.060 -22.305 86 HG2 LYS 16 HG2 LYS 16 -5.346 4.621 -22.734 87 HG3 LYS 16 HG3 LYS 16 -5.949 5.136 -21.158 88 HD2 LYS 16 HD2 LYS 16 -7.625 3.454 -22.967 89 HD3 LYS 16 HD3 LYS 16 -6.376 2.721 -21.958 90 HE2 LYS 16 HE2 LYS 16 -8.637 4.457 -20.953 91 HE3 LYS 16 HE3 LYS 16 -8.605 2.695 -20.888 92 HZ1 LYS 16 HZ1 LYS 16 -6.614 2.842 -19.491 93 HZ2 LYS 16 HZ2 LYS 16 -7.927 3.625 -18.784 94 HZ3 LYS 16 HZ3 LYS 16 -6.708 4.529 -19.517 95 H GLN 17 H GLN 17 -6.297 6.732 -26.374 96 HA GLN 17 HA GLN 17 -7.636 9.285 -26.004 97 HB2 GLN 17 HB2 GLN 17 -5.569 8.541 -28.073 98 HB3 GLN 17 HB3 GLN 17 -6.099 10.158 -27.635 99 HG2 GLN 17 HG2 GLN 17 -4.365 8.264 -26.117 100 HG3 GLN 17 HG3 GLN 17 -4.017 9.914 -26.619 101 HE21 GLN 17 HE21 GLN 17 -5.240 7.904 -24.173 102 HE22 GLN 17 HE22 GLN 17 -5.666 9.138 -23.052 103 H THR 18 H THR 18 -8.560 10.343 -27.858 104 HA THR 18 HA THR 18 -9.608 8.547 -29.913 105 HB THR 18 HB THR 18 -11.817 9.854 -29.692 106 HG1 THR 18 HG1 THR 18 -11.254 11.445 -28.271 107 HG21 THR 18 HG21 THR 18 -12.654 8.334 -27.931 108 HG22 THR 18 HG22 THR 18 -10.989 7.918 -27.523 109 HG23 THR 18 HG23 THR 18 -11.641 7.495 -29.106 110 HA PRO 19 HA PRO 19 -9.410 8.301 -31.827 111 HB2 PRO 19 HB2 PRO 19 -7.564 8.462 -33.799 112 HB3 PRO 19 HB3 PRO 19 -9.245 8.957 -34.031 113 HG2 PRO 19 HG2 PRO 19 -6.835 10.652 -33.471 114 HG3 PRO 19 HG3 PRO 19 -8.143 10.925 -34.635 115 HD2 PRO 19 HD2 PRO 19 -8.046 12.171 -32.225 116 HD3 PRO 19 HD3 PRO 19 -9.576 11.749 -33.021 117 H CYS 20 H CYS 20 -7.809 6.541 -31.767 118 HA CYS 20 HA CYS 20 -6.035 6.582 -29.666 119 HB2 CYS 20 HB2 CYS 20 -6.106 4.863 -32.142 120 HB3 CYS 20 HB3 CYS 20 -4.931 4.608 -30.865 121 H GLY 21 H GLY 21 -3.979 7.222 -29.354 122 HA2 GLY 21 HA2 GLY 21 -2.742 8.698 -31.560 123 HA3 GLY 21 HA3 GLY 21 -2.313 8.820 -29.860 124 H CYS 22 H CYS 22 -2.679 5.642 -31.001 125 HA CYS 22 HA CYS 22 0.127 5.203 -30.642 126 HB2 CYS 22 HB2 CYS 22 -2.166 3.347 -31.163 127 HB3 CYS 22 HB3 CYS 22 -0.500 2.790 -31.247 128 H GLY 23 H GLY 23 0.878 6.437 -32.347 129 HA2 GLY 23 HA2 GLY 23 0.509 5.385 -35.047 130 HA3 GLY 23 HA3 GLY 23 1.410 6.834 -34.615 131 H SER 24 H SER 24 2.974 5.689 -32.575 132 HA SER 24 HA SER 24 4.481 3.548 -33.855 133 HB2 SER 24 HB2 SER 24 6.607 4.913 -33.309 134 HB3 SER 24 HB3 SER 24 5.679 5.353 -34.745 135 HG SER 24 HG SER 24 6.225 6.825 -32.541 136 H GLY 25 H GLY 25 3.345 5.136 -31.066 137 HA2 GLY 25 HA2 GLY 25 5.134 3.619 -29.307 138 HA3 GLY 25 HA3 GLY 25 4.079 4.938 -28.820 139 H CYS 26 H CYS 26 3.279 2.087 -30.749 140 HA CYS 26 HA CYS 26 0.996 1.564 -29.098 141 HB2 CYS 26 HB2 CYS 26 1.027 1.220 -31.564 142 HB3 CYS 26 HB3 CYS 26 2.163 -0.100 -31.311 143 H ASN 27 H ASN 27 1.902 1.142 -27.133 144 HA ASN 27 HA ASN 27 3.584 -1.249 -26.852 145 HB2 ASN 27 HB2 ASN 27 2.898 0.943 -24.887 146 HB3 ASN 27 HB3 ASN 27 3.886 -0.458 -24.493 147 HD21 ASN 27 HD21 ASN 27 5.211 -0.489 -27.103 148 HD22 ASN 27 HD22 ASN 27 6.312 0.840 -27.083 149 H CYS 28 H CYS 28 0.652 -1.153 -27.395 150 HA CYS 28 HA CYS 28 -0.707 -1.983 -25.049 151 HB2 CYS 28 HB2 CYS 28 -1.435 -2.336 -27.961 152 HB3 CYS 28 HB3 CYS 28 -2.522 -2.589 -26.600 153 H LYS 29 H LYS 29 -1.474 -4.065 -24.513 154 HA LYS 29 HA LYS 29 0.306 -6.224 -25.024 155 HB2 LYS 29 HB2 LYS 29 -2.203 -5.834 -23.502 156 HB3 LYS 29 HB3 LYS 29 -1.896 -7.464 -24.052 157 HG2 LYS 29 HG2 LYS 29 -1.127 -7.114 -21.766 158 HG3 LYS 29 HG3 LYS 29 0.209 -7.509 -22.844 159 HD2 LYS 29 HD2 LYS 29 0.932 -5.238 -22.883 160 HD3 LYS 29 HD3 LYS 29 -0.530 -4.703 -22.053 161 HE2 LYS 29 HE2 LYS 29 0.106 -5.871 -20.054 162 HE3 LYS 29 HE3 LYS 29 1.506 -6.581 -20.860 163 HZ1 LYS 29 HZ1 LYS 29 2.141 -4.700 -19.484 164 HZ2 LYS 29 HZ2 LYS 29 1.092 -3.681 -20.338 165 HZ3 LYS 29 HZ3 LYS 29 2.434 -4.359 -21.114 166 H GLU 30 H GLU 30 -0.770 -8.395 -25.660 167 HA GLU 30 HA GLU 30 -1.672 -8.078 -28.362 168 HB2 GLU 30 HB2 GLU 30 -0.031 -9.777 -27.784 169 HB3 GLU 30 HB3 GLU 30 -1.165 -10.518 -26.663 170 HG2 GLU 30 HG2 GLU 30 -2.640 -11.038 -28.511 171 HG3 GLU 30 HG3 GLU 30 -1.484 -10.320 -29.632 172 H ASP 31 H ASP 31 -3.028 -8.707 -25.269 173 HA ASP 31 HA ASP 31 -5.492 -9.882 -26.231 174 HB2 ASP 31 HB2 ASP 31 -4.244 -10.241 -23.926 175 HB3 ASP 31 HB3 ASP 31 -5.134 -8.804 -23.467 176 H CYS 32 H CYS 32 -4.585 -7.047 -26.908 177 HA CYS 32 HA CYS 32 -6.432 -5.306 -25.590 178 HB2 CYS 32 HB2 CYS 32 -4.172 -4.666 -26.574 179 HB3 CYS 32 HB3 CYS 32 -4.946 -4.741 -28.150 180 H ARG 33 H ARG 33 -6.284 -6.865 -28.780 181 HA ARG 33 HA ARG 33 -7.855 -7.363 -30.350 182 HB2 ARG 33 HB2 ARG 33 -9.097 -8.209 -28.297 183 HB3 ARG 33 HB3 ARG 33 -9.938 -6.674 -28.252 184 HG2 ARG 33 HG2 ARG 33 -11.470 -8.015 -29.323 185 HG3 ARG 33 HG3 ARG 33 -10.639 -7.277 -30.686 186 HD2 ARG 33 HD2 ARG 33 -9.165 -9.369 -30.736 187 HD3 ARG 33 HD3 ARG 33 -10.320 -10.089 -29.612 188 HE ARG 33 HE ARG 33 -11.835 -9.103 -31.677 189 HH11 ARG 33 HH11 ARG 33 -9.303 -11.505 -31.336 190 HH12 ARG 33 HH12 ARG 33 -9.770 -12.378 -32.749 191 HH21 ARG 33 HH21 ARG 33 -12.444 -10.235 -33.552 192 HH22 ARG 33 HH22 ARG 33 -11.571 -11.650 -34.029 193 H CYS 34 H CYS 34 -7.081 -4.402 -29.595 194 HA CYS 34 HA CYS 34 -9.298 -2.884 -30.707 195 HB2 CYS 34 HB2 CYS 34 -7.373 -2.229 -28.893 196 HB3 CYS 34 HB3 CYS 34 -6.641 -1.602 -30.363 197 H GLN 35 H GLN 35 -9.588 -2.918 -32.857 198 HA GLN 35 HA GLN 35 -7.744 -3.796 -34.757 199 HB2 GLN 35 HB2 GLN 35 -10.175 -2.040 -35.038 200 HB3 GLN 35 HB3 GLN 35 -9.222 -2.552 -36.422 201 HG2 GLN 35 HG2 GLN 35 -10.512 -4.453 -34.480 202 HG3 GLN 35 HG3 GLN 35 -11.264 -3.909 -35.974 203 HE21 GLN 35 HE21 GLN 35 -8.745 -5.832 -34.568 204 HE22 GLN 35 HE22 GLN 35 -8.354 -6.739 -35.988 205 H SER 36 H SER 36 -8.237 -0.629 -33.401 206 HA SER 36 HA SER 36 -7.109 0.986 -35.337 207 HB2 SER 36 HB2 SER 36 -6.555 2.465 -33.273 208 HB3 SER 36 HB3 SER 36 -8.233 2.107 -33.683 209 HG SER 36 HG SER 36 -6.766 1.351 -31.488 210 H CYS 37 H CYS 37 -5.482 -0.814 -32.772 211 HA CYS 37 HA CYS 37 -2.980 0.001 -34.048 212 HB2 CYS 37 HB2 CYS 37 -2.416 -0.946 -31.428 213 HB3 CYS 37 HB3 CYS 37 -2.217 0.670 -32.074 214 H LYS 38 H LYS 38 -4.985 -2.449 -34.188 215 HA LYS 38 HA LYS 38 -3.085 -4.582 -33.729 216 HB2 LYS 38 HB2 LYS 38 -5.970 -4.469 -34.340 217 HB3 LYS 38 HB3 LYS 38 -5.088 -5.887 -34.884 218 HG2 LYS 38 HG2 LYS 38 -4.195 -5.912 -32.434 219 HG3 LYS 38 HG3 LYS 38 -5.606 -4.903 -32.120 220 HD2 LYS 38 HD2 LYS 38 -6.211 -7.157 -31.686 221 HD3 LYS 38 HD3 LYS 38 -7.000 -6.660 -33.187 222 HE2 LYS 38 HE2 LYS 38 -5.412 -7.861 -34.506 223 HE3 LYS 38 HE3 LYS 38 -4.395 -8.172 -33.101 224 HZ1 LYS 38 HZ1 LYS 38 -6.116 -9.580 -32.195 225 HZ2 LYS 38 HZ2 LYS 38 -5.696 -10.111 -33.740 226 HZ3 LYS 38 HZ3 LYS 38 -7.128 -9.258 -33.512 227 H TYR 39 H TYR 39 -4.314 -2.665 -36.346 228 HA TYR 39 HA TYR 39 -2.802 -4.325 -38.203 229 HB2 TYR 39 HB2 TYR 39 -3.706 -2.715 -39.984 230 HB3 TYR 39 HB3 TYR 39 -4.842 -3.823 -39.246 231 HD1 TYR 39 HD1 TYR 39 -3.550 -0.381 -38.454 232 HD2 TYR 39 HD2 TYR 39 -6.918 -2.925 -38.978 233 HE1 TYR 39 HE1 TYR 39 -5.051 1.512 -37.979 234 HE2 TYR 39 HE2 TYR 39 -8.420 -1.051 -38.503 235 HH TYR 39 HH TYR 39 -7.387 2.170 -38.439 236 H GLY 40 H GLY 40 -1.214 -3.440 -39.588 237 HA2 GLY 40 HA2 GLY 40 0.084 -1.044 -38.434 238 HA3 GLY 40 HA3 GLY 40 0.988 -2.529 -38.693 239 H ALA 41 H ALA 41 -0.328 -3.175 -41.146 240 HA ALA 41 HA ALA 41 1.280 -1.507 -42.871 241 HB1 ALA 41 HB1 ALA 41 1.305 -3.950 -43.055 242 HB2 ALA 41 HB2 ALA 41 0.806 -3.174 -44.561 243 HB3 ALA 41 HB3 ALA 41 -0.398 -3.923 -43.508 244 H GLY 42 H GLY 42 -1.478 -0.860 -41.555 245 HA2 GLY 42 HA2 GLY 42 -3.252 0.486 -42.083 246 HA3 GLY 42 HA3 GLY 42 -2.380 0.904 -43.551 247 H CYS 43 H CYS 43 -3.509 -2.297 -42.557 248 HA CYS 43 HA CYS 43 -4.816 -2.530 -45.122 249 HB2 CYS 43 HB2 CYS 43 -3.332 -4.296 -43.880 250 HB3 CYS 43 HB3 CYS 43 -4.807 -4.643 -42.997 251 H THR 44 H THR 44 -7.029 -2.657 -45.394 252 HA THR 44 HA THR 44 -8.496 -1.216 -43.439 253 HB THR 44 HB THR 44 -10.413 -1.551 -45.045 254 HG1 THR 44 HG1 THR 44 -9.869 -2.459 -47.056 255 HG21 THR 44 HG21 THR 44 -7.828 -0.435 -46.147 256 HG22 THR 44 HG22 THR 44 -8.960 0.430 -45.108 257 HG23 THR 44 HG23 THR 44 -9.446 -0.053 -46.734 258 H ASP 45 H ASP 45 -10.365 -1.762 -42.372 259 HA ASP 45 HA ASP 45 -10.451 -4.249 -41.078 260 HB2 ASP 45 HB2 ASP 45 -12.551 -2.091 -41.354 261 HB3 ASP 45 HB3 ASP 45 -12.715 -3.479 -40.290 262 H VAL 46 H VAL 46 -11.980 -3.032 -43.934 263 HA VAL 46 HA VAL 46 -14.118 -4.794 -44.241 264 HB VAL 46 HB VAL 46 -12.523 -3.630 -46.538 265 HG11 VAL 46 HG11 VAL 46 -14.703 -3.540 -47.641 266 HG12 VAL 46 HG12 VAL 46 -15.437 -4.317 -46.237 267 HG13 VAL 46 HG13 VAL 46 -14.240 -5.183 -47.202 268 HG21 VAL 46 HG21 VAL 46 -14.604 -2.305 -44.810 269 HG22 VAL 46 HG22 VAL 46 -13.993 -1.649 -46.331 270 HG23 VAL 46 HG23 VAL 46 -12.908 -1.845 -44.953 271 H CYS 47 H CYS 47 -10.729 -5.242 -44.857 272 HA CYS 47 HA CYS 47 -11.104 -7.560 -46.491 273 HB2 CYS 47 HB2 CYS 47 -9.158 -6.125 -46.800 274 HB3 CYS 47 HB3 CYS 47 -8.616 -6.469 -45.165 275 H LYS 48 H LYS 48 -10.656 -6.950 -43.052 276 HA LYS 48 HA LYS 48 -10.004 -9.676 -42.431 277 HB2 LYS 48 HB2 LYS 48 -10.829 -7.416 -40.617 278 HB3 LYS 48 HB3 LYS 48 -10.168 -8.960 -40.098 279 HG2 LYS 48 HG2 LYS 48 -8.183 -8.016 -40.182 280 HG3 LYS 48 HG3 LYS 48 -8.340 -8.011 -41.934 281 HD2 LYS 48 HD2 LYS 48 -9.404 -5.809 -41.807 282 HD3 LYS 48 HD3 LYS 48 -9.161 -5.806 -40.056 283 HE2 LYS 48 HE2 LYS 48 -7.432 -4.518 -41.235 284 HE3 LYS 48 HE3 LYS 48 -6.738 -5.890 -40.380 285 HZ1 LYS 48 HZ1 LYS 48 -6.859 -7.105 -42.549 286 HZ2 LYS 48 HZ2 LYS 48 -5.755 -5.845 -42.488 287 HZ3 LYS 48 HZ3 LYS 48 -7.232 -5.627 -43.291 288 H GLN 49 H GLN 49 -12.792 -8.254 -43.358 289 HA GLN 49 HA GLN 49 -14.636 -9.421 -41.533 290 HB2 GLN 49 HB2 GLN 49 -15.115 -8.434 -44.346 291 HB3 GLN 49 HB3 GLN 49 -16.341 -8.717 -43.115 292 HG2 GLN 49 HG2 GLN 49 -15.408 -6.924 -41.754 293 HG3 GLN 49 HG3 GLN 49 -14.137 -6.678 -42.945 294 HE21 GLN 49 HE21 GLN 49 -16.174 -4.848 -41.942 295 HE22 GLN 49 HE22 GLN 49 -17.042 -4.298 -43.332 296 H THR 50 H THR 50 -16.276 -11.012 -42.241 297 HA THR 50 HA THR 50 -15.249 -12.932 -44.182 298 HB THR 50 HB THR 50 -16.222 -13.701 -41.420 299 HG1 THR 50 HG1 THR 50 -13.766 -13.005 -42.379 300 HG21 THR 50 HG21 THR 50 -15.515 -15.962 -42.060 301 HG22 THR 50 HG22 THR 50 -15.063 -15.374 -43.658 302 HG23 THR 50 HG23 THR 50 -16.754 -15.357 -43.158 303 HA PRO 51 HA PRO 51 -15.772 -13.727 -45.863 304 HB2 PRO 51 HB2 PRO 51 -16.881 -13.012 -48.215 305 HB3 PRO 51 HB3 PRO 51 -17.252 -14.555 -47.437 306 HG2 PRO 51 HG2 PRO 51 -18.817 -12.001 -47.419 307 HG3 PRO 51 HG3 PRO 51 -19.392 -13.660 -47.666 308 HD2 PRO 51 HD2 PRO 51 -19.606 -12.392 -45.288 309 HD3 PRO 51 HD3 PRO 51 -19.353 -14.144 -45.414 310 H CYS 52 H CYS 52 -14.452 -12.431 -47.332 311 HA CYS 52 HA CYS 52 -13.792 -9.929 -46.361 312 HB2 CYS 52 HB2 CYS 52 -12.302 -11.327 -47.730 313 HB3 CYS 52 HB3 CYS 52 -13.333 -11.004 -49.126 314 H GLY 53 H GLY 53 -14.256 -7.846 -46.931 315 HA2 GLY 53 HA2 GLY 53 -16.718 -7.571 -48.440 316 HA3 GLY 53 HA3 GLY 53 -16.030 -6.357 -47.366 317 H CYS 54 H CYS 54 -13.447 -7.327 -49.116 318 HA CYS 54 HA CYS 54 -13.422 -5.012 -50.721 319 HB2 CYS 54 HB2 CYS 54 -11.717 -7.482 -50.656 320 HB3 CYS 54 HB3 CYS 54 -11.454 -6.228 -51.862 321 H ALA 55 H ALA 55 -14.916 -8.000 -51.136 322 HA ALA 55 HA ALA 55 -14.997 -7.885 -54.039 323 HB1 ALA 55 HB1 ALA 55 -16.264 -9.962 -53.874 324 HB2 ALA 55 HB2 ALA 55 -16.321 -9.791 -52.120 325 HB3 ALA 55 HB3 ALA 55 -14.777 -10.055 -52.930 326 H THR 56 H THR 56 -16.431 -6.170 -51.755 327 HA THR 56 HA THR 56 -18.924 -5.907 -53.292 328 HB THR 56 HB THR 56 -18.738 -5.821 -50.275 329 HG1 THR 56 HG1 THR 56 -19.291 -7.846 -52.118 330 HG21 THR 56 HG21 THR 56 -20.501 -4.382 -51.190 331 HG22 THR 56 HG22 THR 56 -21.196 -5.787 -50.380 332 HG23 THR 56 HG23 THR 56 -21.115 -5.733 -52.141 333 H SER 57 H SER 57 -16.726 -4.411 -50.942 334 HA SER 57 HA SER 57 -17.788 -1.771 -51.619 335 HB2 SER 57 HB2 SER 57 -17.591 -2.415 -49.237 336 HB3 SER 57 HB3 SER 57 -15.852 -2.606 -49.447 337 HG SER 57 HG SER 57 -15.984 -0.306 -50.212 338 H GLY 58 H GLY 58 -15.729 -3.659 -53.065 339 HA2 GLY 58 HA2 GLY 58 -14.101 -3.103 -54.630 340 HA3 GLY 58 HA3 GLY 58 -14.009 -1.493 -53.924 341 H CYS 59 H CYS 59 -11.849 -3.324 -54.639 342 HA CYS 59 HA CYS 59 -10.789 -4.358 -52.201 343 HB2 CYS 59 HB2 CYS 59 -10.287 -5.286 -54.468 344 HB3 CYS 59 HB3 CYS 59 -9.340 -3.839 -54.796 345 H ASN 60 H ASN 60 -9.191 -3.524 -50.918 346 HA ASN 60 HA ASN 60 -8.663 -0.650 -51.309 347 HB2 ASN 60 HB2 ASN 60 -8.705 -2.248 -48.746 348 HB3 ASN 60 HB3 ASN 60 -8.329 -0.536 -48.864 349 HD21 ASN 60 HD21 ASN 60 -10.359 0.017 -50.863 350 HD22 ASN 60 HD22 ASN 60 -11.879 -0.068 -50.045 351 H CYS 61 H CYS 61 -7.211 -3.724 -50.486 352 HA CYS 61 HA CYS 61 -4.576 -2.501 -50.277 353 HB2 CYS 61 HB2 CYS 61 -4.009 -4.938 -49.624 354 HB3 CYS 61 HB3 CYS 61 -4.965 -3.967 -48.510 355 H THR 62 H THR 62 -3.100 -4.827 -51.096 356 HA THR 62 HA THR 62 -3.630 -4.816 -53.983 357 HB THR 62 HB THR 62 -1.155 -5.029 -54.279 358 HG1 THR 62 HG1 THR 62 -0.353 -4.001 -51.961 359 HG21 THR 62 HG21 THR 62 -0.638 -2.675 -53.810 360 HG22 THR 62 HG22 THR 62 -2.068 -2.566 -52.781 361 HG23 THR 62 HG23 THR 62 -2.246 -2.848 -54.512 362 H ASP 63 H ASP 63 -2.125 -6.650 -54.980 363 HA ASP 63 HA ASP 63 -3.158 -9.140 -54.023 364 HB2 ASP 63 HB2 ASP 63 -1.301 -8.382 -56.259 365 HB3 ASP 63 HB3 ASP 63 -1.626 -10.070 -55.872 366 H ASP 64 H ASP 64 -0.747 -7.348 -52.861 367 HA ASP 64 HA ASP 64 1.238 -9.375 -52.363 368 HB2 ASP 64 HB2 ASP 64 1.511 -6.770 -52.433 369 HB3 ASP 64 HB3 ASP 64 0.978 -6.853 -50.758 370 H CYS 65 H CYS 65 -1.792 -8.722 -51.210 371 HA CYS 65 HA CYS 65 -1.380 -9.385 -48.454 372 HB2 CYS 65 HB2 CYS 65 -3.249 -7.912 -49.475 373 HB3 CYS 65 HB3 CYS 65 -4.018 -9.438 -49.899 374 H LYS 66 H LYS 66 -2.610 -11.262 -47.502 375 HA LYS 66 HA LYS 66 -2.027 -13.627 -49.112 376 HB2 LYS 66 HB2 LYS 66 -2.663 -13.381 -46.175 377 HB3 LYS 66 HB3 LYS 66 -2.244 -14.875 -46.999 378 HG2 LYS 66 HG2 LYS 66 -0.044 -13.896 -47.567 379 HG3 LYS 66 HG3 LYS 66 -0.472 -12.470 -46.622 380 HD2 LYS 66 HD2 LYS 66 -0.281 -15.294 -45.573 381 HD3 LYS 66 HD3 LYS 66 0.917 -14.023 -45.331 382 HE2 LYS 66 HE2 LYS 66 -0.731 -12.693 -44.107 383 HE3 LYS 66 HE3 LYS 66 -1.946 -13.941 -44.372 384 HZ1 LYS 66 HZ1 LYS 66 -0.984 -14.115 -42.177 385 HZ2 LYS 66 HZ2 LYS 66 0.563 -14.268 -42.825 386 HZ3 LYS 66 HZ3 LYS 66 -0.588 -15.478 -43.092 387 H CYS 67 H CYS 67 -4.642 -11.715 -48.586 388 HA CYS 67 HA CYS 67 -6.573 -13.790 -48.163 389 HB2 CYS 67 HB2 CYS 67 -6.858 -11.396 -47.390 390 HB3 CYS 67 HB3 CYS 67 -7.163 -10.981 -49.075 391 H GLN 68 H GLN 68 -7.239 -15.100 -49.632 392 HA GLN 68 HA GLN 68 -6.664 -14.676 -52.425 393 HB2 GLN 68 HB2 GLN 68 -8.095 -16.944 -51.038 394 HB3 GLN 68 HB3 GLN 68 -7.484 -16.958 -52.686 395 HG2 GLN 68 HG2 GLN 68 -5.255 -16.989 -51.983 396 HG3 GLN 68 HG3 GLN 68 -5.674 -16.488 -50.347 397 HE21 GLN 68 HE21 GLN 68 -6.484 -17.997 -48.914 398 HE22 GLN 68 HE22 GLN 68 -6.356 -19.697 -49.195 399 H SER 69 H SER 69 -9.047 -13.561 -50.518 400 HA SER 69 HA SER 69 -11.334 -14.178 -52.141 401 HB2 SER 69 HB2 SER 69 -11.029 -12.197 -49.875 402 HB3 SER 69 HB3 SER 69 -12.551 -12.746 -50.571 403 HG SER 69 HG SER 69 -11.350 -14.940 -49.972 404 H CYS 70 H CYS 70 -9.060 -11.500 -51.858 405 HA CYS 70 HA CYS 70 -10.588 -10.090 -53.937 406 HB2 CYS 70 HB2 CYS 70 -9.441 -8.015 -53.025 407 HB3 CYS 70 HB3 CYS 70 -10.673 -8.746 -52.001 408 H SER 71 H SER 71 -8.018 -12.003 -53.746 409 HA SER 71 HA SER 71 -6.116 -10.341 -55.160 410 HB2 SER 71 HB2 SER 71 -5.366 -12.021 -53.481 411 HB3 SER 71 HB3 SER 71 -5.941 -13.295 -54.556 412 HG SER 71 HG SER 71 -4.138 -11.368 -55.537 413 H THR 72 H THR 72 -5.165 -11.032 -57.171 414 HA THR 72 HA THR 72 -7.180 -11.571 -59.144 415 HB THR 72 HB THR 72 -5.277 -11.201 -60.742 416 HG1 THR 72 HG1 THR 72 -3.848 -10.552 -58.351 417 HG21 THR 72 HG21 THR 72 -5.714 -9.136 -58.591 418 HG22 THR 72 HG22 THR 72 -6.676 -9.336 -60.061 419 HG23 THR 72 HG23 THR 72 -4.989 -8.815 -60.167 420 H ALA 73 H ALA 73 -7.132 -13.214 -60.686 421 HA ALA 73 HA ALA 73 -6.292 -15.756 -59.699 422 HB1 ALA 73 HB1 ALA 73 -7.349 -16.638 -61.709 423 HB2 ALA 73 HB2 ALA 73 -7.497 -15.006 -62.360 424 HB3 ALA 73 HB3 ALA 73 -8.400 -15.465 -60.916 425 H CYS 74 H CYS 74 -4.829 -17.175 -60.684 426 HA CYS 74 HA CYS 74 -2.612 -15.857 -61.991 427 HB2 CYS 74 HB2 CYS 74 -2.680 -17.803 -60.115 428 HB3 CYS 74 HB3 CYS 74 -2.541 -18.793 -61.565 429 H LYS 75 H LYS 75 -1.567 -17.114 -63.875 430 HA LYS 75 HA LYS 75 -3.704 -17.450 -65.849 431 HB2 LYS 75 HB2 LYS 75 -0.748 -17.005 -66.291 432 HB3 LYS 75 HB3 LYS 75 -1.984 -17.027 -67.537 433 HG2 LYS 75 HG2 LYS 75 -1.817 -15.019 -65.294 434 HG3 LYS 75 HG3 LYS 75 -1.267 -14.751 -66.944 435 HD2 LYS 75 HD2 LYS 75 -4.107 -15.405 -66.158 436 HD3 LYS 75 HD3 LYS 75 -3.498 -13.779 -66.463 437 HE2 LYS 75 HE2 LYS 75 -3.536 -16.048 -68.456 438 HE3 LYS 75 HE3 LYS 75 -4.663 -14.697 -68.413 439 HZ1 LYS 75 HZ1 LYS 75 -1.734 -14.477 -68.848 440 HZ2 LYS 75 HZ2 LYS 75 -2.826 -13.188 -68.822 441 HZ3 LYS 75 HZ3 LYS 75 -2.920 -14.351 -70.046 442 H CYS 76 H CYS 76 -2.063 -19.467 -63.943 443 HA CYS 76 HA CYS 76 -1.323 -21.429 -65.910 444 HB2 CYS 76 HB2 CYS 76 -1.502 -21.669 -62.905 445 HB3 CYS 76 HB3 CYS 76 -0.747 -22.824 -64.000 446 H ALA 77 H ALA 77 -2.190 -23.680 -65.730 447 HA ALA 77 HA ALA 77 -5.089 -23.631 -65.215 448 HB1 ALA 77 HB1 ALA 77 -4.633 -23.406 -67.624 449 HB2 ALA 77 HB2 ALA 77 -5.462 -24.915 -67.229 450 HB3 ALA 77 HB3 ALA 77 -3.735 -24.924 -67.568 451 H ALA 78 H ALA 78 -5.994 -25.901 -65.221 452 HA ALA 78 HA ALA 78 -4.660 -27.442 -63.273 453 HB1 ALA 78 HB1 ALA 78 -6.950 -28.247 -65.068 454 HB2 ALA 78 HB2 ALA 78 -7.100 -27.429 -63.512 455 HB3 ALA 78 HB3 ALA 78 -6.451 -29.067 -63.588 456 H GLY 79 H GLY 79 -2.712 -28.164 -63.851 457 HA2 GLY 79 HA2 GLY 79 -1.549 -30.121 -64.612 458 HA3 GLY 79 HA3 GLY 79 -2.634 -30.174 -65.996 459 H SER 80 H SER 80 -1.875 -27.021 -65.508 460 HA SER 80 HA SER 80 0.551 -27.157 -67.128 461 HB2 SER 80 HB2 SER 80 -1.825 -25.403 -67.773 462 HB3 SER 80 HB3 SER 80 -0.294 -25.437 -68.644 463 HG SER 80 HG SER 80 -0.733 -27.650 -69.131 464 H CYS 81 H CYS 81 1.753 -26.514 -65.351 465 HA CYS 81 HA CYS 81 1.196 -23.927 -64.134 466 HB2 CYS 81 HB2 CYS 81 2.042 -25.791 -62.735 467 HB3 CYS 81 HB3 CYS 81 3.501 -25.852 -63.716 468 H LYS 82 H LYS 82 2.339 -22.065 -64.616 469 HA LYS 82 HA LYS 82 4.123 -22.369 -66.929 470 HB2 LYS 82 HB2 LYS 82 2.174 -20.181 -66.347 471 HB3 LYS 82 HB3 LYS 82 3.311 -20.193 -67.694 472 HG2 LYS 82 HG2 LYS 82 2.271 -22.057 -68.684 473 HG3 LYS 82 HG3 LYS 82 1.317 -22.385 -67.235 474 HD2 LYS 82 HD2 LYS 82 0.171 -20.273 -67.529 475 HD3 LYS 82 HD3 LYS 82 1.107 -19.974 -68.995 476 HE2 LYS 82 HE2 LYS 82 -0.717 -22.338 -68.582 477 HE3 LYS 82 HE3 LYS 82 -1.186 -20.857 -69.414 478 HZ1 LYS 82 HZ1 LYS 82 0.604 -21.271 -71.011 479 HZ2 LYS 82 HZ2 LYS 82 -0.537 -22.516 -70.991 480 HZ3 LYS 82 HZ3 LYS 82 0.959 -22.736 -70.242 481 H CYS 83 H CYS 83 3.452 -19.869 -64.395 482 HA CYS 83 HA CYS 83 5.957 -18.643 -64.817 483 HB2 CYS 83 HB2 CYS 83 5.523 -17.429 -62.705 484 HB3 CYS 83 HB3 CYS 83 4.137 -17.411 -63.787 485 H GLY 84 H GLY 84 5.076 -21.445 -63.072 486 HA2 GLY 84 HA2 GLY 84 6.491 -23.092 -62.277 487 HA3 GLY 84 HA3 GLY 84 7.852 -22.034 -62.608 488 H LYS 85 H LYS 85 5.038 -21.409 -60.564 489 HA LYS 85 HA LYS 85 6.899 -21.155 -58.303 490 HB2 LYS 85 HB2 LYS 85 4.211 -19.856 -58.753 491 HB3 LYS 85 HB3 LYS 85 5.162 -19.697 -57.285 492 HG2 LYS 85 HG2 LYS 85 6.041 -18.801 -60.025 493 HG3 LYS 85 HG3 LYS 85 5.373 -17.754 -58.773 494 HD2 LYS 85 HD2 LYS 85 7.277 -18.483 -57.289 495 HD3 LYS 85 HD3 LYS 85 7.969 -19.295 -58.693 496 HE2 LYS 85 HE2 LYS 85 8.930 -17.060 -58.334 497 HE3 LYS 85 HE3 LYS 85 8.104 -17.200 -59.886 498 HZ1 LYS 85 HZ1 LYS 85 6.928 -16.000 -57.440 499 HZ2 LYS 85 HZ2 LYS 85 6.209 -16.065 -58.971 500 HZ3 LYS 85 HZ3 LYS 85 7.593 -15.125 -58.724 501 H GLY 86 H GLY 86 5.024 -23.394 -59.537 502 HA2 GLY 86 HA2 GLY 86 4.257 -25.359 -58.568 503 HA3 GLY 86 HA3 GLY 86 4.531 -24.648 -56.982 504 H CYS 87 H CYS 87 2.599 -23.427 -59.665 505 HA CYS 87 HA CYS 87 0.179 -23.827 -58.085 506 HB2 CYS 87 HB2 CYS 87 -0.473 -21.476 -58.961 507 HB3 CYS 87 HB3 CYS 87 0.609 -21.596 -57.577 508 H THR 88 H THR 88 -1.384 -24.719 -59.261 509 HA THR 88 HA THR 88 -1.120 -24.672 -62.180 510 HB THR 88 HB THR 88 -2.815 -26.636 -61.934 511 HG1 THR 88 HG1 THR 88 -2.962 -27.518 -59.970 512 HG21 THR 88 HG21 THR 88 0.074 -26.892 -61.082 513 HG22 THR 88 HG22 THR 88 -0.527 -26.888 -62.741 514 HG23 THR 88 HG23 THR 88 -0.942 -28.214 -61.655 515 H GLY 89 H GLY 89 -2.283 -22.510 -60.682 516 HA2 GLY 89 HA2 GLY 89 -4.213 -21.530 -62.133 517 HA3 GLY 89 HA3 GLY 89 -5.127 -22.762 -61.273 518 HA PRO 90 HA PRO 90 -4.989 -18.641 -58.934 519 HB2 PRO 90 HB2 PRO 90 -7.715 -18.480 -58.686 520 HB3 PRO 90 HB3 PRO 90 -6.789 -17.717 -59.984 521 HG2 PRO 90 HG2 PRO 90 -8.251 -20.326 -59.983 522 HG3 PRO 90 HG3 PRO 90 -8.246 -19.057 -61.228 523 HD2 PRO 90 HD2 PRO 90 -6.771 -21.258 -61.513 524 HD3 PRO 90 HD3 PRO 90 -6.127 -19.674 -61.997 525 H ASP 91 H ASP 91 -6.992 -21.562 -58.501 526 HA ASP 91 HA ASP 91 -7.472 -21.105 -55.744 527 HB2 ASP 91 HB2 ASP 91 -8.951 -22.554 -57.001 528 HB3 ASP 91 HB3 ASP 91 -7.630 -23.672 -57.326 529 H SER 92 H SER 92 -5.045 -22.983 -57.475 530 HA SER 92 HA SER 92 -3.830 -23.817 -54.981 531 HB2 SER 92 HB2 SER 92 -3.044 -24.323 -57.854 532 HB3 SER 92 HB3 SER 92 -2.210 -24.991 -56.451 533 HG SER 92 HG SER 92 -3.644 -26.490 -56.430 534 H CYS 93 H CYS 93 -3.790 -21.015 -56.659 535 HA CYS 93 HA CYS 93 -0.959 -20.511 -56.470 536 HB2 CYS 93 HB2 CYS 93 -2.357 -19.507 -58.280 537 HB3 CYS 93 HB3 CYS 93 -3.175 -18.539 -57.059 538 H LYS 94 H LYS 94 -0.288 -20.541 -54.450 539 HA LYS 94 HA LYS 94 -1.657 -18.923 -52.422 540 HB2 LYS 94 HB2 LYS 94 -0.143 -20.093 -50.822 541 HB3 LYS 94 HB3 LYS 94 -1.192 -21.186 -51.714 542 HG2 LYS 94 HG2 LYS 94 1.405 -20.746 -52.985 543 HG3 LYS 94 HG3 LYS 94 1.502 -21.486 -51.387 544 HD2 LYS 94 HD2 LYS 94 0.117 -23.302 -52.048 545 HD3 LYS 94 HD3 LYS 94 -0.333 -22.495 -53.551 546 HE2 LYS 94 HE2 LYS 94 1.306 -24.305 -53.893 547 HE3 LYS 94 HE3 LYS 94 1.917 -22.733 -54.397 548 HZ1 LYS 94 HZ1 LYS 94 3.559 -24.026 -53.164 549 HZ2 LYS 94 HZ2 LYS 94 2.547 -24.063 -51.815 550 HZ3 LYS 94 HZ3 LYS 94 3.182 -22.590 -52.359 551 H CYS 95 H CYS 95 0.204 -18.163 -54.714 552 HA CYS 95 HA CYS 95 2.475 -17.039 -53.306 553 HB2 CYS 95 HB2 CYS 95 1.779 -17.003 -56.237 554 HB3 CYS 95 HB3 CYS 95 3.316 -16.529 -55.523 555 H ASP 96 H ASP 96 3.108 -14.771 -53.968 556 HA ASP 96 HA ASP 96 0.839 -13.040 -53.418 557 HB2 ASP 96 HB2 ASP 96 3.800 -12.416 -53.559 558 HB3 ASP 96 HB3 ASP 96 2.551 -11.295 -53.044 559 H ARG 97 H ARG 97 1.666 -10.698 -54.468 560 HA ARG 97 HA ARG 97 0.744 -10.779 -57.126 561 HB2 ARG 97 HB2 ARG 97 1.257 -8.382 -57.133 562 HB3 ARG 97 HB3 ARG 97 0.386 -8.886 -55.691 563 HG2 ARG 97 HG2 ARG 97 2.491 -8.933 -54.451 564 HG3 ARG 97 HG3 ARG 97 3.324 -8.335 -55.886 565 HD2 ARG 97 HD2 ARG 97 1.968 -6.330 -55.857 566 HD3 ARG 97 HD3 ARG 97 1.072 -6.939 -54.467 567 HE ARG 97 HE ARG 97 3.413 -6.957 -53.381 568 HH11 ARG 97 HH11 ARG 97 2.278 -4.554 -55.696 569 HH12 ARG 97 HH12 ARG 97 3.235 -3.282 -55.028 570 HH21 ARG 97 HH21 ARG 97 4.668 -5.272 -52.503 571 HH22 ARG 97 HH22 ARG 97 4.610 -3.691 -53.204 572 H SER 98 H SER 98 3.755 -11.523 -55.914 573 HA SER 98 HA SER 98 5.540 -10.332 -57.706 574 HB2 SER 98 HB2 SER 98 6.240 -11.412 -55.610 575 HB3 SER 98 HB3 SER 98 5.777 -12.980 -56.266 576 HG SER 98 HG SER 98 7.747 -11.270 -57.394 577 H CYS 99 H CYS 99 3.382 -13.029 -58.101 578 HA CYS 99 HA CYS 99 4.605 -14.372 -60.220 579 HB2 CYS 99 HB2 CYS 99 1.855 -14.148 -59.177 580 HB3 CYS 99 HB3 CYS 99 2.005 -14.697 -60.840 581 H SER 100 H SER 100 4.908 -13.936 -62.293 582 HA SER 100 HA SER 100 4.279 -11.404 -63.401 583 HB2 SER 100 HB2 SER 100 5.041 -13.899 -64.928 584 HB3 SER 100 HB3 SER 100 5.342 -12.220 -65.380 585 HG SER 100 HG SER 100 6.699 -12.092 -63.491 586 H CYS 101 H CYS 101 2.499 -14.219 -62.967 587 HA CYS 101 HA CYS 101 0.803 -13.948 -65.267 588 HB2 CYS 101 HB2 CYS 101 0.906 -15.827 -62.933 589 HB3 CYS 101 HB3 CYS 101 -0.469 -15.807 -64.028 590 H LYS 102 H LYS 102 0.935 -11.976 -62.735 591 HA LYS 102 HA LYS 102 -1.933 -11.917 -62.200 592 HB2 LYS 102 HB2 LYS 102 0.253 -10.141 -61.103 593 HB3 LYS 102 HB3 LYS 102 -1.429 -10.153 -60.589 594 HG2 LYS 102 HG2 LYS 102 0.617 -12.321 -60.213 595 HG3 LYS 102 HG3 LYS 102 -0.151 -11.332 -58.971 596 HD2 LYS 102 HD2 LYS 102 -2.354 -12.344 -59.678 597 HD3 LYS 102 HD3 LYS 102 -1.418 -13.435 -60.704 598 HE2 LYS 102 HE2 LYS 102 -0.234 -14.293 -58.763 599 HE3 LYS 102 HE3 LYS 102 -1.091 -13.166 -57.714 600 HZ1 LYS 102 HZ1 LYS 102 -2.065 -15.350 -57.600 601 HZ2 LYS 102 HZ2 LYS 102 -2.298 -15.383 -59.270 602 HZ3 LYS 102 HZ3 LYS 102 -3.172 -14.282 -58.319 Start of MODEL 11 1 HA2 GLY 1 HA2 GLY 1 -8.441 -19.524 -16.852 2 HA3 GLY 1 HA3 GLY 1 -8.017 -19.880 -18.520 3 H SER 2 H SER 2 -6.794 -17.634 -19.369 4 HA SER 2 HA SER 2 -4.344 -17.684 -17.811 5 HB2 SER 2 HB2 SER 2 -4.909 -16.387 -20.489 6 HB3 SER 2 HB3 SER 2 -3.321 -16.634 -19.758 7 HG SER 2 HG SER 2 -4.266 -18.982 -19.728 8 H MET 3 H MET 3 -4.519 -16.346 -16.097 9 HA MET 3 HA MET 3 -5.805 -13.762 -16.325 10 HB2 MET 3 HB2 MET 3 -4.270 -14.901 -13.982 11 HB3 MET 3 HB3 MET 3 -5.369 -13.533 -13.953 12 HG2 MET 3 HG2 MET 3 -7.240 -14.996 -14.436 13 HG3 MET 3 HG3 MET 3 -6.153 -16.378 -14.548 14 HE1 MET 3 HE1 MET 3 -8.725 -16.400 -12.674 15 HE2 MET 3 HE2 MET 3 -8.049 -17.133 -11.219 16 HE3 MET 3 HE3 MET 3 -7.586 -17.740 -12.808 17 H SER 4 H SER 4 -4.412 -12.791 -17.878 18 HA SER 4 HA SER 4 -1.730 -12.150 -16.875 19 HB2 SER 4 HB2 SER 4 -1.782 -13.339 -19.046 20 HB3 SER 4 HB3 SER 4 -2.770 -12.044 -19.719 21 HG SER 4 HG SER 4 -0.957 -11.100 -20.158 22 H SER 5 H SER 5 -1.403 -10.148 -16.183 23 HA SER 5 HA SER 5 -3.405 -8.136 -16.525 24 HB2 SER 5 HB2 SER 5 -0.652 -7.965 -15.282 25 HB3 SER 5 HB3 SER 5 -1.902 -6.724 -15.174 26 HG SER 5 HG SER 5 -2.986 -9.033 -14.443 27 H VAL 6 H VAL 6 -3.443 -7.931 -18.786 28 HA VAL 6 HA VAL 6 -1.098 -6.921 -20.137 29 HB VAL 6 HB VAL 6 -2.430 -8.437 -21.437 30 HG11 VAL 6 HG11 VAL 6 -4.557 -8.217 -20.283 31 HG12 VAL 6 HG12 VAL 6 -4.782 -7.991 -22.017 32 HG13 VAL 6 HG13 VAL 6 -4.768 -6.594 -20.940 33 HG21 VAL 6 HG21 VAL 6 -3.015 -7.073 -23.402 34 HG22 VAL 6 HG22 VAL 6 -1.451 -6.632 -22.716 35 HG23 VAL 6 HG23 VAL 6 -2.863 -5.618 -22.417 36 H PHE 7 H PHE 7 -0.673 -4.875 -20.594 37 HA PHE 7 HA PHE 7 -2.792 -2.882 -20.236 38 HB2 PHE 7 HB2 PHE 7 0.078 -2.573 -19.322 39 HB3 PHE 7 HB3 PHE 7 -1.160 -1.330 -19.242 40 HD1 PHE 7 HD1 PHE 7 0.357 -4.115 -17.596 41 HD2 PHE 7 HD2 PHE 7 -3.168 -1.738 -17.751 42 HE1 PHE 7 HE1 PHE 7 -0.263 -4.899 -15.352 43 HE2 PHE 7 HE2 PHE 7 -3.794 -2.520 -15.506 44 HZ PHE 7 HZ PHE 7 -2.340 -4.101 -14.303 45 H GLY 8 H GLY 8 -2.998 -3.036 -22.532 46 HA2 GLY 8 HA2 GLY 8 -2.718 -1.981 -24.562 47 HA3 GLY 8 HA3 GLY 8 -1.364 -1.103 -23.877 48 H ALA 9 H ALA 9 0.262 -3.226 -23.177 49 HA ALA 9 HA ALA 9 1.298 -3.887 -25.813 50 HB1 ALA 9 HB1 ALA 9 2.809 -2.903 -24.156 51 HB2 ALA 9 HB2 ALA 9 3.351 -4.503 -24.669 52 HB3 ALA 9 HB3 ALA 9 2.561 -4.299 -23.106 53 H GLY 10 H GLY 10 -0.788 -5.317 -25.736 54 HA2 GLY 10 HA2 GLY 10 0.186 -8.041 -25.195 55 HA3 GLY 10 HA3 GLY 10 -1.464 -7.574 -24.794 56 H CYS 11 H CYS 11 0.669 -7.052 -27.564 57 HA CYS 11 HA CYS 11 -1.507 -7.274 -29.396 58 HB2 CYS 11 HB2 CYS 11 1.466 -7.184 -29.922 59 HB3 CYS 11 HB3 CYS 11 0.200 -6.959 -31.121 60 H THR 12 H THR 12 -0.842 -8.660 -31.463 61 HA THR 12 HA THR 12 -0.727 -11.409 -30.487 62 HB THR 12 HB THR 12 -2.741 -11.090 -31.700 63 HG1 THR 12 HG1 THR 12 -1.982 -12.959 -32.491 64 HG21 THR 12 HG21 THR 12 -2.867 -10.063 -33.920 65 HG22 THR 12 HG22 THR 12 -1.133 -9.734 -33.869 66 HG23 THR 12 HG23 THR 12 -2.218 -8.939 -32.727 67 H ASP 13 H ASP 13 0.515 -12.961 -31.708 68 HA ASP 13 HA ASP 13 3.107 -12.140 -32.361 69 HB2 ASP 13 HB2 ASP 13 2.525 -14.467 -31.772 70 HB3 ASP 13 HB3 ASP 13 1.639 -14.627 -33.283 71 H THR 14 H THR 14 0.202 -12.440 -34.214 72 HA THR 14 HA THR 14 1.229 -12.313 -36.820 73 HB THR 14 HB THR 14 -1.436 -11.172 -36.006 74 HG1 THR 14 HG1 THR 14 -1.692 -13.056 -35.013 75 HG21 THR 14 HG21 THR 14 -0.522 -12.830 -38.365 76 HG22 THR 14 HG22 THR 14 -0.822 -11.092 -38.384 77 HG23 THR 14 HG23 THR 14 -2.154 -12.213 -38.110 78 H CYS 15 H CYS 15 1.202 -9.957 -34.410 79 HA CYS 15 HA CYS 15 1.151 -7.685 -36.230 80 HB2 CYS 15 HB2 CYS 15 0.034 -7.544 -34.050 81 HB3 CYS 15 HB3 CYS 15 1.562 -7.879 -33.240 82 H LYS 16 H LYS 16 3.337 -9.876 -34.908 83 HA LYS 16 HA LYS 16 5.627 -8.068 -34.962 84 HB2 LYS 16 HB2 LYS 16 5.506 -11.011 -34.291 85 HB3 LYS 16 HB3 LYS 16 6.834 -9.906 -33.964 86 HG2 LYS 16 HG2 LYS 16 5.528 -8.698 -32.366 87 HG3 LYS 16 HG3 LYS 16 4.085 -9.616 -32.788 88 HD2 LYS 16 HD2 LYS 16 4.894 -10.506 -30.768 89 HD3 LYS 16 HD3 LYS 16 5.285 -11.668 -32.039 90 HE2 LYS 16 HE2 LYS 16 7.161 -11.320 -30.436 91 HE3 LYS 16 HE3 LYS 16 7.582 -10.916 -32.098 92 HZ1 LYS 16 HZ1 LYS 16 8.372 -9.279 -30.478 93 HZ2 LYS 16 HZ2 LYS 16 6.779 -8.944 -30.031 94 HZ3 LYS 16 HZ3 LYS 16 7.312 -8.602 -31.602 95 H GLN 17 H GLN 17 4.106 -8.909 -37.338 96 HA GLN 17 HA GLN 17 6.046 -10.535 -38.830 97 HB2 GLN 17 HB2 GLN 17 3.440 -9.483 -39.888 98 HB3 GLN 17 HB3 GLN 17 4.374 -10.851 -40.459 99 HG2 GLN 17 HG2 GLN 17 2.845 -10.706 -37.878 100 HG3 GLN 17 HG3 GLN 17 2.345 -11.557 -39.336 101 HE21 GLN 17 HE21 GLN 17 4.377 -11.595 -36.570 102 HE22 GLN 17 HE22 GLN 17 4.948 -13.210 -36.768 103 H THR 18 H THR 18 6.386 -9.770 -41.146 104 HA THR 18 HA THR 18 6.122 -6.929 -41.537 105 HB THR 18 HB THR 18 8.821 -7.826 -42.228 106 HG1 THR 18 HG1 THR 18 9.028 -8.738 -40.265 107 HG21 THR 18 HG21 THR 18 9.364 -5.621 -41.293 108 HG22 THR 18 HG22 THR 18 7.691 -5.473 -40.744 109 HG23 THR 18 HG23 THR 18 8.049 -5.539 -42.470 110 HA PRO 19 HA PRO 19 5.111 -5.931 -42.797 111 HB2 PRO 19 HB2 PRO 19 2.821 -6.013 -44.253 112 HB3 PRO 19 HB3 PRO 19 4.315 -5.295 -44.867 113 HG2 PRO 19 HG2 PRO 19 3.152 -8.003 -45.406 114 HG3 PRO 19 HG3 PRO 19 3.909 -6.867 -46.537 115 HD2 PRO 19 HD2 PRO 19 5.213 -9.024 -45.504 116 HD3 PRO 19 HD3 PRO 19 6.043 -7.521 -45.958 117 H CYS 20 H CYS 20 3.044 -5.659 -41.552 118 HA CYS 20 HA CYS 20 2.499 -7.708 -39.786 119 HB2 CYS 20 HB2 CYS 20 1.167 -5.162 -40.482 120 HB3 CYS 20 HB3 CYS 20 0.158 -6.346 -39.672 121 H GLY 21 H GLY 21 1.249 -9.455 -39.750 122 HA2 GLY 21 HA2 GLY 21 -0.121 -10.169 -42.226 123 HA3 GLY 21 HA3 GLY 21 0.221 -11.244 -40.875 124 H CYS 22 H CYS 22 -0.983 -8.380 -39.749 125 HA CYS 22 HA CYS 22 -3.391 -9.573 -38.844 126 HB2 CYS 22 HB2 CYS 22 -2.552 -6.682 -38.730 127 HB3 CYS 22 HB3 CYS 22 -3.809 -7.462 -37.768 128 H GLY 23 H GLY 23 -2.796 -8.708 -41.852 129 HA2 GLY 23 HA2 GLY 23 -4.978 -7.025 -42.557 130 HA3 GLY 23 HA3 GLY 23 -4.078 -8.062 -43.656 131 H SER 24 H SER 24 -4.882 -10.162 -41.439 132 HA SER 24 HA SER 24 -7.414 -10.877 -42.718 133 HB2 SER 24 HB2 SER 24 -5.524 -12.511 -42.840 134 HB3 SER 24 HB3 SER 24 -5.543 -12.611 -41.080 135 HG SER 24 HG SER 24 -7.839 -13.205 -41.380 136 H GLY 25 H GLY 25 -6.507 -9.145 -40.183 137 HA2 GLY 25 HA2 GLY 25 -8.156 -8.436 -38.583 138 HA3 GLY 25 HA3 GLY 25 -8.746 -10.091 -38.522 139 H CYS 26 H CYS 26 -6.864 -7.804 -36.969 140 HA CYS 26 HA CYS 26 -5.221 -9.780 -35.601 141 HB2 CYS 26 HB2 CYS 26 -4.407 -7.613 -34.427 142 HB3 CYS 26 HB3 CYS 26 -3.867 -7.997 -36.051 143 H ASN 27 H ASN 27 -4.927 -9.088 -33.160 144 HA ASN 27 HA ASN 27 -7.516 -8.532 -31.919 145 HB2 ASN 27 HB2 ASN 27 -7.179 -11.036 -32.166 146 HB3 ASN 27 HB3 ASN 27 -5.772 -10.884 -31.123 147 HD21 ASN 27 HD21 ASN 27 -9.266 -10.607 -31.283 148 HD22 ASN 27 HD22 ASN 27 -9.542 -10.751 -29.582 149 H CYS 28 H CYS 28 -5.304 -6.870 -32.247 150 HA CYS 28 HA CYS 28 -3.638 -6.938 -29.920 151 HB2 CYS 28 HB2 CYS 28 -3.991 -4.721 -31.930 152 HB3 CYS 28 HB3 CYS 28 -2.664 -4.910 -30.789 153 H LYS 29 H LYS 29 -3.377 -4.695 -28.794 154 HA LYS 29 HA LYS 29 -5.971 -4.183 -27.558 155 HB2 LYS 29 HB2 LYS 29 -3.225 -3.392 -26.588 156 HB3 LYS 29 HB3 LYS 29 -4.716 -3.387 -25.659 157 HG2 LYS 29 HG2 LYS 29 -3.360 -5.855 -26.763 158 HG3 LYS 29 HG3 LYS 29 -3.257 -5.295 -25.095 159 HD2 LYS 29 HD2 LYS 29 -5.814 -6.091 -26.506 160 HD3 LYS 29 HD3 LYS 29 -4.907 -7.122 -25.394 161 HE2 LYS 29 HE2 LYS 29 -5.236 -5.527 -23.601 162 HE3 LYS 29 HE3 LYS 29 -6.058 -4.425 -24.696 163 HZ1 LYS 29 HZ1 LYS 29 -7.799 -6.076 -24.997 164 HZ2 LYS 29 HZ2 LYS 29 -7.637 -5.651 -23.370 165 HZ3 LYS 29 HZ3 LYS 29 -7.016 -7.119 -23.922 166 H GLU 30 H GLU 30 -6.056 -1.799 -26.602 167 HA GLU 30 HA GLU 30 -6.304 -0.089 -28.854 168 HB2 GLU 30 HB2 GLU 30 -6.993 1.636 -27.255 169 HB3 GLU 30 HB3 GLU 30 -7.830 0.115 -27.004 170 HG2 GLU 30 HG2 GLU 30 -6.498 -0.380 -25.082 171 HG3 GLU 30 HG3 GLU 30 -5.446 1.000 -25.397 172 H ASP 31 H ASP 31 -3.655 -0.676 -26.797 173 HA ASP 31 HA ASP 31 -2.430 1.886 -27.548 174 HB2 ASP 31 HB2 ASP 31 -2.471 0.936 -25.103 175 HB3 ASP 31 HB3 ASP 31 -1.151 -0.078 -25.672 176 H CYS 32 H CYS 32 -2.876 -0.272 -29.389 177 HA CYS 32 HA CYS 32 -0.573 -1.785 -29.907 178 HB2 CYS 32 HB2 CYS 32 -2.741 -2.240 -30.974 179 HB3 CYS 32 HB3 CYS 32 -2.644 -0.715 -31.843 180 H ARG 33 H ARG 33 -1.652 1.313 -31.286 181 HA ARG 33 HA ARG 33 -0.557 3.087 -32.184 182 HB2 ARG 33 HB2 ARG 33 0.672 2.660 -29.901 183 HB3 ARG 33 HB3 ARG 33 2.002 2.182 -30.936 184 HG2 ARG 33 HG2 ARG 33 2.378 4.440 -30.437 185 HG3 ARG 33 HG3 ARG 33 1.728 4.433 -32.079 186 HD2 ARG 33 HD2 ARG 33 0.723 6.171 -30.631 187 HD3 ARG 33 HD3 ARG 33 -0.456 5.022 -31.264 188 HE ARG 33 HE ARG 33 0.111 3.901 -28.917 189 HH11 ARG 33 HH11 ARG 33 -0.602 7.242 -29.662 190 HH12 ARG 33 HH12 ARG 33 -1.272 7.573 -28.103 191 HH21 ARG 33 HH21 ARG 33 -0.771 4.315 -26.866 192 HH22 ARG 33 HH22 ARG 33 -1.369 5.906 -26.503 193 H CYS 34 H CYS 34 -0.521 0.480 -33.579 194 HA CYS 34 HA CYS 34 1.950 0.825 -35.109 195 HB2 CYS 34 HB2 CYS 34 1.210 -1.425 -33.951 196 HB3 CYS 34 HB3 CYS 34 0.226 -1.575 -35.405 197 H GLN 35 H GLN 35 1.664 1.933 -36.898 198 HA GLN 35 HA GLN 35 -0.879 2.419 -38.048 199 HB2 GLN 35 HB2 GLN 35 1.912 2.936 -39.042 200 HB3 GLN 35 HB3 GLN 35 0.471 3.428 -39.919 201 HG2 GLN 35 HG2 GLN 35 1.294 4.327 -37.172 202 HG3 GLN 35 HG3 GLN 35 1.355 5.275 -38.658 203 HE21 GLN 35 HE21 GLN 35 -0.635 4.063 -36.130 204 HE22 GLN 35 HE22 GLN 35 -2.072 4.912 -36.596 205 H SER 36 H SER 36 1.206 -0.189 -38.272 206 HA SER 36 HA SER 36 0.799 -1.002 -40.931 207 HB2 SER 36 HB2 SER 36 1.417 -2.660 -38.482 208 HB3 SER 36 HB3 SER 36 1.582 -3.200 -40.151 209 HG SER 36 HG SER 36 2.863 -0.830 -39.644 210 H CYS 37 H CYS 37 -1.026 -1.560 -37.952 211 HA CYS 37 HA CYS 37 -3.118 -2.821 -39.585 212 HB2 CYS 37 HB2 CYS 37 -3.760 -3.925 -37.312 213 HB3 CYS 37 HB3 CYS 37 -2.425 -4.584 -38.247 214 H LYS 38 H LYS 38 -2.462 0.004 -38.322 215 HA LYS 38 HA LYS 38 -5.159 0.458 -37.224 216 HB2 LYS 38 HB2 LYS 38 -3.154 0.867 -35.680 217 HB3 LYS 38 HB3 LYS 38 -2.818 2.261 -36.701 218 HG2 LYS 38 HG2 LYS 38 -5.476 2.580 -36.170 219 HG3 LYS 38 HG3 LYS 38 -4.876 1.872 -34.670 220 HD2 LYS 38 HD2 LYS 38 -3.565 4.208 -36.006 221 HD3 LYS 38 HD3 LYS 38 -4.867 4.387 -34.833 222 HE2 LYS 38 HE2 LYS 38 -3.483 3.071 -33.217 223 HE3 LYS 38 HE3 LYS 38 -2.163 3.127 -34.384 224 HZ1 LYS 38 HZ1 LYS 38 -2.175 5.537 -34.231 225 HZ2 LYS 38 HZ2 LYS 38 -1.978 4.866 -32.691 226 HZ3 LYS 38 HZ3 LYS 38 -3.470 5.487 -33.152 227 H TYR 39 H TYR 39 -5.221 0.407 -39.778 228 HA TYR 39 HA TYR 39 -4.552 2.757 -41.179 229 HB2 TYR 39 HB2 TYR 39 -6.618 0.619 -41.587 230 HB3 TYR 39 HB3 TYR 39 -6.575 2.028 -42.630 231 HD1 TYR 39 HD1 TYR 39 -4.030 -0.368 -41.254 232 HD2 TYR 39 HD2 TYR 39 -5.596 1.646 -44.654 233 HE1 TYR 39 HE1 TYR 39 -2.339 -1.456 -42.675 234 HE2 TYR 39 HE2 TYR 39 -3.915 0.569 -46.076 235 HH TYR 39 HH TYR 39 -1.834 -0.490 -45.968 236 H GLY 40 H GLY 40 -7.496 1.710 -39.544 237 HA2 GLY 40 HA2 GLY 40 -9.216 2.888 -38.586 238 HA3 GLY 40 HA3 GLY 40 -8.102 4.246 -38.488 239 H ALA 41 H ALA 41 -8.561 5.959 -39.624 240 HA ALA 41 HA ALA 41 -10.845 6.041 -41.319 241 HB1 ALA 41 HB1 ALA 41 -10.337 8.395 -41.565 242 HB2 ALA 41 HB2 ALA 41 -8.735 8.146 -40.872 243 HB3 ALA 41 HB3 ALA 41 -10.172 7.916 -39.876 244 H GLY 42 H GLY 42 -7.625 5.175 -41.864 245 HA2 GLY 42 HA2 GLY 42 -7.207 6.089 -44.499 246 HA3 GLY 42 HA3 GLY 42 -6.468 4.659 -43.787 247 H CYS 43 H CYS 43 -8.980 3.383 -43.195 248 HA CYS 43 HA CYS 43 -9.927 2.772 -45.908 249 HB2 CYS 43 HB2 CYS 43 -9.222 0.999 -43.625 250 HB3 CYS 43 HB3 CYS 43 -10.537 0.505 -44.693 251 H THR 44 H THR 44 -12.117 1.483 -45.657 252 HA THR 44 HA THR 44 -13.880 3.273 -44.198 253 HB THR 44 HB THR 44 -15.671 2.119 -45.495 254 HG1 THR 44 HG1 THR 44 -14.788 0.777 -47.294 255 HG21 THR 44 HG21 THR 44 -15.083 3.058 -47.667 256 HG22 THR 44 HG22 THR 44 -13.385 3.116 -47.202 257 HG23 THR 44 HG23 THR 44 -14.558 4.147 -46.382 258 H ASP 45 H ASP 45 -15.654 2.328 -42.926 259 HA ASP 45 HA ASP 45 -14.654 0.261 -41.230 260 HB2 ASP 45 HB2 ASP 45 -17.245 1.796 -41.255 261 HB3 ASP 45 HB3 ASP 45 -16.953 0.480 -40.122 262 H VAL 46 H VAL 46 -16.485 0.271 -44.079 263 HA VAL 46 HA VAL 46 -17.943 -2.142 -43.737 264 HB VAL 46 HB VAL 46 -16.879 -0.944 -46.316 265 HG11 VAL 46 HG11 VAL 46 -17.583 -3.285 -46.554 266 HG12 VAL 46 HG12 VAL 46 -18.664 -2.191 -47.417 267 HG13 VAL 46 HG13 VAL 46 -19.156 -2.876 -45.869 268 HG21 VAL 46 HG21 VAL 46 -18.235 0.673 -45.144 269 HG22 VAL 46 HG22 VAL 46 -19.509 -0.521 -44.907 270 HG23 VAL 46 HG23 VAL 46 -19.130 0.053 -46.532 271 H CYS 47 H CYS 47 -14.704 -1.337 -44.686 272 HA CYS 47 HA CYS 47 -13.945 -3.970 -45.488 273 HB2 CYS 47 HB2 CYS 47 -12.832 -1.971 -46.373 274 HB3 CYS 47 HB3 CYS 47 -12.310 -1.531 -44.754 275 H LYS 48 H LYS 48 -14.324 -2.337 -42.512 276 HA LYS 48 HA LYS 48 -12.472 -4.071 -41.072 277 HB2 LYS 48 HB2 LYS 48 -14.268 -1.958 -39.893 278 HB3 LYS 48 HB3 LYS 48 -12.816 -2.653 -39.192 279 HG2 LYS 48 HG2 LYS 48 -12.896 -0.890 -41.631 280 HG3 LYS 48 HG3 LYS 48 -12.499 -0.356 -40.001 281 HD2 LYS 48 HD2 LYS 48 -10.571 -1.931 -40.010 282 HD3 LYS 48 HD3 LYS 48 -10.953 -2.335 -41.685 283 HE2 LYS 48 HE2 LYS 48 -9.176 -0.656 -41.535 284 HE3 LYS 48 HE3 LYS 48 -10.612 -0.026 -42.342 285 HZ1 LYS 48 HZ1 LYS 48 -9.792 1.597 -40.788 286 HZ2 LYS 48 HZ2 LYS 48 -9.819 0.471 -39.523 287 HZ3 LYS 48 HZ3 LYS 48 -11.261 0.990 -40.221 288 H GLN 49 H GLN 49 -15.261 -4.723 -42.318 289 HA GLN 49 HA GLN 49 -16.878 -5.516 -40.101 290 HB2 GLN 49 HB2 GLN 49 -16.957 -6.180 -43.035 291 HB3 GLN 49 HB3 GLN 49 -18.090 -6.867 -41.884 292 HG2 GLN 49 HG2 GLN 49 -18.833 -4.599 -41.306 293 HG3 GLN 49 HG3 GLN 49 -17.722 -3.952 -42.509 294 HE21 GLN 49 HE21 GLN 49 -19.508 -3.028 -43.590 295 HE22 GLN 49 HE22 GLN 49 -20.539 -3.984 -44.591 296 H THR 50 H THR 50 -17.626 -7.887 -40.012 297 HA THR 50 HA THR 50 -15.506 -9.799 -40.531 298 HB THR 50 HB THR 50 -16.625 -9.481 -37.736 299 HG1 THR 50 HG1 THR 50 -14.472 -8.293 -39.018 300 HG21 THR 50 HG21 THR 50 -14.351 -11.156 -38.814 301 HG22 THR 50 HG22 THR 50 -15.946 -11.760 -38.371 302 HG23 THR 50 HG23 THR 50 -14.883 -11.087 -37.132 303 HA PRO 51 HA PRO 51 -15.531 -11.265 -41.873 304 HB2 PRO 51 HB2 PRO 51 -16.657 -11.992 -44.214 305 HB3 PRO 51 HB3 PRO 51 -16.366 -13.151 -42.911 306 HG2 PRO 51 HG2 PRO 51 -18.900 -11.722 -43.637 307 HG3 PRO 51 HG3 PRO 51 -18.660 -13.435 -43.244 308 HD2 PRO 51 HD2 PRO 51 -19.593 -11.661 -41.427 309 HD3 PRO 51 HD3 PRO 51 -18.562 -13.031 -40.974 310 H CYS 52 H CYS 52 -14.706 -10.028 -43.636 311 HA CYS 52 HA CYS 52 -15.485 -7.375 -43.734 312 HB2 CYS 52 HB2 CYS 52 -13.253 -8.298 -44.408 313 HB3 CYS 52 HB3 CYS 52 -14.003 -8.871 -45.889 314 H GLY 53 H GLY 53 -16.669 -6.146 -45.178 315 HA2 GLY 53 HA2 GLY 53 -18.307 -7.689 -47.089 316 HA3 GLY 53 HA3 GLY 53 -18.984 -6.420 -46.080 317 H CYS 54 H CYS 54 -15.814 -5.915 -47.257 318 HA CYS 54 HA CYS 54 -16.591 -3.530 -48.535 319 HB2 CYS 54 HB2 CYS 54 -14.261 -4.378 -47.555 320 HB3 CYS 54 HB3 CYS 54 -13.995 -4.792 -49.247 321 H ALA 55 H ALA 55 -15.377 -6.601 -49.894 322 HA ALA 55 HA ALA 55 -15.780 -5.824 -52.593 323 HB1 ALA 55 HB1 ALA 55 -15.617 -8.602 -51.428 324 HB2 ALA 55 HB2 ALA 55 -14.252 -7.627 -51.970 325 HB3 ALA 55 HB3 ALA 55 -15.454 -8.184 -53.134 326 H THR 56 H THR 56 -17.885 -6.925 -50.157 327 HA THR 56 HA THR 56 -19.911 -8.024 -51.832 328 HB THR 56 HB THR 56 -20.105 -7.016 -48.990 329 HG1 THR 56 HG1 THR 56 -19.302 -9.489 -50.120 330 HG21 THR 56 HG21 THR 56 -22.029 -8.528 -48.838 331 HG22 THR 56 HG22 THR 56 -21.849 -8.932 -50.547 332 HG23 THR 56 HG23 THR 56 -22.276 -7.287 -50.066 333 H SER 57 H SER 57 -19.648 -4.969 -49.987 334 HA SER 57 HA SER 57 -22.043 -3.971 -51.293 335 HB2 SER 57 HB2 SER 57 -20.291 -2.687 -49.199 336 HB3 SER 57 HB3 SER 57 -21.880 -2.120 -49.715 337 HG SER 57 HG SER 57 -22.535 -4.385 -49.068 338 H GLY 58 H GLY 58 -18.673 -3.783 -51.762 339 HA2 GLY 58 HA2 GLY 58 -18.299 -2.752 -54.087 340 HA3 GLY 58 HA3 GLY 58 -18.935 -1.303 -53.317 341 H CYS 59 H CYS 59 -16.182 -3.108 -53.972 342 HA CYS 59 HA CYS 59 -14.570 -2.663 -51.745 343 HB2 CYS 59 HB2 CYS 59 -14.105 -4.170 -53.729 344 HB3 CYS 59 HB3 CYS 59 -13.581 -2.728 -54.593 345 H ASN 60 H ASN 60 -13.400 -1.002 -51.020 346 HA ASN 60 HA ASN 60 -13.771 1.570 -52.407 347 HB2 ASN 60 HB2 ASN 60 -13.173 0.990 -49.499 348 HB3 ASN 60 HB3 ASN 60 -13.344 2.599 -50.190 349 HD21 ASN 60 HD21 ASN 60 -15.521 1.967 -51.933 350 HD22 ASN 60 HD22 ASN 60 -16.912 1.693 -50.951 351 H CYS 61 H CYS 61 -11.334 -0.363 -50.731 352 HA CYS 61 HA CYS 61 -9.249 1.548 -51.372 353 HB2 CYS 61 HB2 CYS 61 -7.848 -0.185 -50.147 354 HB3 CYS 61 HB3 CYS 61 -9.106 0.630 -49.215 355 H THR 62 H THR 62 -7.064 -0.039 -51.799 356 HA THR 62 HA THR 62 -7.646 -1.175 -54.433 357 HB THR 62 HB THR 62 -5.193 -0.721 -54.885 358 HG1 THR 62 HG1 THR 62 -4.156 0.713 -53.486 359 HG21 THR 62 HG21 THR 62 -6.942 1.658 -54.232 360 HG22 THR 62 HG22 THR 62 -6.960 0.752 -55.745 361 HG23 THR 62 HG23 THR 62 -5.531 1.680 -55.289 362 H ASP 63 H ASP 63 -5.615 -2.651 -55.088 363 HA ASP 63 HA ASP 63 -5.867 -5.008 -53.520 364 HB2 ASP 63 HB2 ASP 63 -4.033 -4.354 -55.829 365 HB3 ASP 63 HB3 ASP 63 -4.162 -5.951 -55.099 366 H ASP 64 H ASP 64 -4.012 -2.345 -53.074 367 HA ASP 64 HA ASP 64 -1.557 -3.430 -52.140 368 HB2 ASP 64 HB2 ASP 64 -1.852 -1.073 -52.828 369 HB3 ASP 64 HB3 ASP 64 -2.912 -0.820 -51.451 370 H CYS 65 H CYS 65 -4.703 -3.086 -50.768 371 HA CYS 65 HA CYS 65 -4.019 -3.136 -48.033 372 HB2 CYS 65 HB2 CYS 65 -6.306 -2.630 -49.225 373 HB3 CYS 65 HB3 CYS 65 -6.533 -4.370 -49.126 374 H LYS 66 H LYS 66 -3.589 -4.843 -46.666 375 HA LYS 66 HA LYS 66 -2.781 -7.340 -47.858 376 HB2 LYS 66 HB2 LYS 66 -3.001 -6.663 -44.917 377 HB3 LYS 66 HB3 LYS 66 -2.143 -8.029 -45.604 378 HG2 LYS 66 HG2 LYS 66 -0.345 -6.735 -45.419 379 HG3 LYS 66 HG3 LYS 66 -0.957 -5.923 -46.861 380 HD2 LYS 66 HD2 LYS 66 -2.129 -4.301 -45.456 381 HD3 LYS 66 HD3 LYS 66 -1.528 -5.118 -44.009 382 HE2 LYS 66 HE2 LYS 66 0.765 -4.631 -44.672 383 HE3 LYS 66 HE3 LYS 66 0.189 -3.853 -46.142 384 HZ1 LYS 66 HZ1 LYS 66 -0.964 -2.211 -44.738 385 HZ2 LYS 66 HZ2 LYS 66 0.711 -2.213 -44.509 386 HZ3 LYS 66 HZ3 LYS 66 -0.288 -2.936 -43.357 387 H CYS 67 H CYS 67 -5.700 -6.177 -47.094 388 HA CYS 67 HA CYS 67 -6.798 -8.390 -45.696 389 HB2 CYS 67 HB2 CYS 67 -7.615 -6.050 -45.513 390 HB3 CYS 67 HB3 CYS 67 -8.239 -6.194 -47.155 391 H GLN 68 H GLN 68 -6.901 -10.279 -46.694 392 HA GLN 68 HA GLN 68 -7.342 -10.487 -49.539 393 HB2 GLN 68 HB2 GLN 68 -7.194 -12.693 -47.481 394 HB3 GLN 68 HB3 GLN 68 -7.047 -12.869 -49.224 395 HG2 GLN 68 HG2 GLN 68 -5.129 -11.467 -47.384 396 HG3 GLN 68 HG3 GLN 68 -4.877 -13.000 -48.215 397 HE21 GLN 68 HE21 GLN 68 -3.381 -10.490 -48.298 398 HE22 GLN 68 HE22 GLN 68 -3.316 -10.033 -49.960 399 H SER 69 H SER 69 -9.386 -9.751 -47.217 400 HA SER 69 HA SER 69 -11.463 -11.664 -47.727 401 HB2 SER 69 HB2 SER 69 -11.637 -9.039 -46.247 402 HB3 SER 69 HB3 SER 69 -12.757 -10.401 -46.149 403 HG SER 69 HG SER 69 -10.682 -9.982 -44.640 404 H CYS 70 H CYS 70 -10.443 -8.649 -49.081 405 HA CYS 70 HA CYS 70 -12.748 -8.779 -50.896 406 HB2 CYS 70 HB2 CYS 70 -12.899 -6.331 -50.932 407 HB3 CYS 70 HB3 CYS 70 -13.230 -6.995 -49.337 408 H SER 71 H SER 71 -9.370 -8.191 -50.406 409 HA SER 71 HA SER 71 -8.917 -7.108 -53.036 410 HB2 SER 71 HB2 SER 71 -7.561 -6.461 -51.026 411 HB3 SER 71 HB3 SER 71 -6.883 -8.086 -51.021 412 HG SER 71 HG SER 71 -5.574 -6.520 -52.100 413 H THR 72 H THR 72 -6.818 -8.230 -54.103 414 HA THR 72 HA THR 72 -7.800 -10.728 -55.112 415 HB THR 72 HB THR 72 -5.637 -10.582 -56.493 416 HG1 THR 72 HG1 THR 72 -5.619 -7.852 -55.838 417 HG21 THR 72 HG21 THR 72 -7.641 -8.334 -56.633 418 HG22 THR 72 HG22 THR 72 -7.853 -9.943 -57.325 419 HG23 THR 72 HG23 THR 72 -6.598 -8.872 -57.952 420 H ALA 73 H ALA 73 -7.044 -12.734 -54.741 421 HA ALA 73 HA ALA 73 -5.226 -13.050 -52.494 422 HB1 ALA 73 HB1 ALA 73 -5.996 -15.372 -52.477 423 HB2 ALA 73 HB2 ALA 73 -6.931 -15.072 -53.940 424 HB3 ALA 73 HB3 ALA 73 -7.348 -14.242 -52.441 425 H CYS 74 H CYS 74 -3.614 -14.766 -52.546 426 HA CYS 74 HA CYS 74 -1.791 -14.535 -54.699 427 HB2 CYS 74 HB2 CYS 74 -1.405 -15.132 -52.179 428 HB3 CYS 74 HB3 CYS 74 -1.785 -16.773 -52.682 429 H LYS 75 H LYS 75 -1.298 -16.052 -56.335 430 HA LYS 75 HA LYS 75 -3.501 -17.859 -56.965 431 HB2 LYS 75 HB2 LYS 75 -1.166 -16.958 -58.657 432 HB3 LYS 75 HB3 LYS 75 -2.422 -18.055 -59.204 433 HG2 LYS 75 HG2 LYS 75 -2.835 -15.204 -58.342 434 HG3 LYS 75 HG3 LYS 75 -2.781 -15.787 -60.005 435 HD2 LYS 75 HD2 LYS 75 -4.750 -17.153 -59.611 436 HD3 LYS 75 HD3 LYS 75 -4.782 -16.649 -57.919 437 HE2 LYS 75 HE2 LYS 75 -5.206 -14.920 -60.349 438 HE3 LYS 75 HE3 LYS 75 -6.399 -15.358 -59.133 439 HZ1 LYS 75 HZ1 LYS 75 -5.054 -14.135 -57.482 440 HZ2 LYS 75 HZ2 LYS 75 -5.629 -13.147 -58.718 441 HZ3 LYS 75 HZ3 LYS 75 -4.009 -13.636 -58.723 442 H CYS 76 H CYS 76 -1.051 -18.260 -55.088 443 HA CYS 76 HA CYS 76 0.096 -20.612 -56.288 444 HB2 CYS 76 HB2 CYS 76 0.585 -19.313 -53.619 445 HB3 CYS 76 HB3 CYS 76 1.507 -20.652 -54.307 446 H ALA 77 H ALA 77 0.104 -22.636 -55.263 447 HA ALA 77 HA ALA 77 -2.314 -23.124 -53.659 448 HB1 ALA 77 HB1 ALA 77 -2.512 -24.002 -55.930 449 HB2 ALA 77 HB2 ALA 77 -2.448 -25.306 -54.740 450 HB3 ALA 77 HB3 ALA 77 -1.021 -24.914 -55.698 451 H ALA 78 H ALA 78 -2.078 -25.449 -52.673 452 HA ALA 78 HA ALA 78 -0.041 -25.338 -50.752 453 HB1 ALA 78 HB1 ALA 78 -0.821 -27.546 -50.063 454 HB2 ALA 78 HB2 ALA 78 -1.752 -27.691 -51.553 455 HB3 ALA 78 HB3 ALA 78 -2.177 -26.460 -50.363 456 H GLY 79 H GLY 79 1.949 -25.253 -51.653 457 HA2 GLY 79 HA2 GLY 79 3.946 -26.473 -51.979 458 HA3 GLY 79 HA3 GLY 79 2.994 -27.798 -52.630 459 H SER 80 H SER 80 2.275 -24.617 -53.762 460 HA SER 80 HA SER 80 4.015 -24.917 -56.078 461 HB2 SER 80 HB2 SER 80 1.954 -26.139 -56.666 462 HB3 SER 80 HB3 SER 80 1.003 -24.701 -56.317 463 HG SER 80 HG SER 80 3.108 -24.532 -58.168 464 H CYS 81 H CYS 81 5.072 -23.018 -55.842 465 HA CYS 81 HA CYS 81 3.573 -20.558 -55.354 466 HB2 CYS 81 HB2 CYS 81 6.391 -21.407 -55.060 467 HB3 CYS 81 HB3 CYS 81 6.160 -19.759 -55.622 468 H LYS 82 H LYS 82 2.833 -19.465 -57.057 469 HA LYS 82 HA LYS 82 3.947 -19.891 -59.699 470 HB2 LYS 82 HB2 LYS 82 1.566 -18.444 -58.612 471 HB3 LYS 82 HB3 LYS 82 2.182 -17.962 -60.185 472 HG2 LYS 82 HG2 LYS 82 0.343 -19.607 -60.308 473 HG3 LYS 82 HG3 LYS 82 1.834 -20.171 -61.061 474 HD2 LYS 82 HD2 LYS 82 2.353 -21.397 -58.964 475 HD3 LYS 82 HD3 LYS 82 0.769 -20.924 -58.349 476 HE2 LYS 82 HE2 LYS 82 1.225 -22.504 -60.876 477 HE3 LYS 82 HE3 LYS 82 0.838 -23.211 -59.309 478 HZ1 LYS 82 HZ1 LYS 82 -0.878 -21.317 -60.820 479 HZ2 LYS 82 HZ2 LYS 82 -1.255 -22.007 -59.324 480 HZ3 LYS 82 HZ3 LYS 82 -1.118 -22.983 -60.693 481 H CYS 83 H CYS 83 3.847 -17.433 -57.246 482 HA CYS 83 HA CYS 83 5.317 -15.504 -58.761 483 HB2 CYS 83 HB2 CYS 83 5.471 -14.368 -56.552 484 HB3 CYS 83 HB3 CYS 83 3.819 -14.804 -56.988 485 H GLY 84 H GLY 84 5.984 -18.037 -56.439 486 HA2 GLY 84 HA2 GLY 84 7.987 -19.177 -56.068 487 HA3 GLY 84 HA3 GLY 84 8.801 -18.029 -57.121 488 H LYS 85 H LYS 85 6.764 -17.147 -54.407 489 HA LYS 85 HA LYS 85 9.111 -15.859 -53.214 490 HB2 LYS 85 HB2 LYS 85 6.182 -15.231 -52.868 491 HB3 LYS 85 HB3 LYS 85 7.507 -14.346 -52.127 492 HG2 LYS 85 HG2 LYS 85 7.027 -14.601 -55.095 493 HG3 LYS 85 HG3 LYS 85 6.607 -13.201 -54.109 494 HD2 LYS 85 HD2 LYS 85 9.401 -14.285 -54.517 495 HD3 LYS 85 HD3 LYS 85 8.721 -12.877 -55.333 496 HE2 LYS 85 HE2 LYS 85 8.409 -11.771 -53.170 497 HE3 LYS 85 HE3 LYS 85 9.085 -13.177 -52.352 498 HZ1 LYS 85 HZ1 LYS 85 10.726 -11.466 -52.577 499 HZ2 LYS 85 HZ2 LYS 85 10.515 -11.406 -54.253 500 HZ3 LYS 85 HZ3 LYS 85 11.170 -12.788 -53.529 501 H GLY 86 H GLY 86 7.091 -18.499 -52.727 502 HA2 GLY 86 HA2 GLY 86 7.698 -20.058 -51.010 503 HA3 GLY 86 HA3 GLY 86 8.116 -18.706 -49.975 504 H CYS 87 H CYS 87 5.292 -17.866 -51.413 505 HA CYS 87 HA CYS 87 3.778 -18.670 -49.060 506 HB2 CYS 87 HB2 CYS 87 2.106 -17.021 -50.069 507 HB3 CYS 87 HB3 CYS 87 3.611 -16.363 -49.435 508 H THR 88 H THR 88 3.059 -20.717 -49.418 509 HA THR 88 HA THR 88 2.022 -21.418 -52.007 510 HB THR 88 HB THR 88 1.638 -23.672 -50.891 511 HG1 THR 88 HG1 THR 88 1.689 -22.854 -48.717 512 HG21 THR 88 HG21 THR 88 3.571 -23.201 -52.329 513 HG22 THR 88 HG22 THR 88 4.030 -24.248 -50.985 514 HG23 THR 88 HG23 THR 88 4.441 -22.533 -50.949 515 H GLY 89 H GLY 89 0.431 -19.573 -51.421 516 HA2 GLY 89 HA2 GLY 89 -2.060 -20.015 -51.747 517 HA3 GLY 89 HA3 GLY 89 -1.968 -20.741 -50.151 518 HA PRO 90 HA PRO 90 -2.761 -15.966 -50.229 519 HB2 PRO 90 HB2 PRO 90 -5.323 -16.078 -49.249 520 HB3 PRO 90 HB3 PRO 90 -4.912 -15.971 -50.965 521 HG2 PRO 90 HG2 PRO 90 -5.559 -18.384 -49.323 522 HG3 PRO 90 HG3 PRO 90 -6.158 -17.949 -50.938 523 HD2 PRO 90 HD2 PRO 90 -4.218 -19.740 -50.653 524 HD3 PRO 90 HD3 PRO 90 -4.142 -18.540 -51.961 525 H ASP 91 H ASP 91 -3.426 -18.561 -47.933 526 HA ASP 91 HA ASP 91 -3.513 -16.823 -45.663 527 HB2 ASP 91 HB2 ASP 91 -4.541 -19.092 -45.642 528 HB3 ASP 91 HB3 ASP 91 -2.927 -19.794 -45.703 529 H SER 92 H SER 92 -1.056 -18.804 -47.210 530 HA SER 92 HA SER 92 1.026 -18.104 -45.381 531 HB2 SER 92 HB2 SER 92 1.308 -19.119 -48.219 532 HB3 SER 92 HB3 SER 92 2.487 -19.251 -46.914 533 HG SER 92 HG SER 92 1.008 -20.608 -45.820 534 H CYS 93 H CYS 93 -0.343 -16.824 -48.294 535 HA CYS 93 HA CYS 93 1.761 -15.074 -48.989 536 HB2 CYS 93 HB2 CYS 93 0.088 -15.758 -50.620 537 HB3 CYS 93 HB3 CYS 93 -1.171 -14.972 -49.675 538 H LYS 94 H LYS 94 2.423 -13.630 -47.665 539 HA LYS 94 HA LYS 94 0.470 -11.953 -46.261 540 HB2 LYS 94 HB2 LYS 94 3.388 -12.429 -45.587 541 HB3 LYS 94 HB3 LYS 94 2.214 -11.547 -44.611 542 HG2 LYS 94 HG2 LYS 94 0.965 -13.556 -44.184 543 HG3 LYS 94 HG3 LYS 94 1.970 -14.469 -45.305 544 HD2 LYS 94 HD2 LYS 94 3.920 -13.978 -43.808 545 HD3 LYS 94 HD3 LYS 94 2.775 -13.290 -42.652 546 HE2 LYS 94 HE2 LYS 94 2.802 -16.129 -43.682 547 HE3 LYS 94 HE3 LYS 94 3.276 -15.598 -42.071 548 HZ1 LYS 94 HZ1 LYS 94 1.011 -14.902 -41.655 549 HZ2 LYS 94 HZ2 LYS 94 1.030 -16.525 -42.118 550 HZ3 LYS 94 HZ3 LYS 94 0.542 -15.348 -43.220 551 H CYS 95 H CYS 95 1.445 -11.894 -49.009 552 HA CYS 95 HA CYS 95 3.049 -9.466 -49.148 553 HB2 CYS 95 HB2 CYS 95 2.137 -11.314 -51.365 554 HB3 CYS 95 HB3 CYS 95 3.338 -10.039 -51.495 555 H ASP 96 H ASP 96 2.364 -7.764 -50.627 556 HA ASP 96 HA ASP 96 -0.505 -7.273 -50.409 557 HB2 ASP 96 HB2 ASP 96 0.074 -4.925 -50.922 558 HB3 ASP 96 HB3 ASP 96 1.002 -5.537 -49.566 559 H ARG 97 H ARG 97 -0.055 -5.216 -52.671 560 HA ARG 97 HA ARG 97 -1.163 -6.860 -54.753 561 HB2 ARG 97 HB2 ARG 97 -1.617 -4.862 -55.884 562 HB3 ARG 97 HB3 ARG 97 -1.814 -4.465 -54.184 563 HG2 ARG 97 HG2 ARG 97 0.466 -3.501 -54.186 564 HG3 ARG 97 HG3 ARG 97 0.558 -3.815 -55.921 565 HD2 ARG 97 HD2 ARG 97 -1.619 -2.487 -56.067 566 HD3 ARG 97 HD3 ARG 97 -1.235 -1.936 -54.443 567 HE ARG 97 HE ARG 97 0.216 -1.307 -56.902 568 HH11 ARG 97 HH11 ARG 97 0.103 -0.971 -53.383 569 HH12 ARG 97 HH12 ARG 97 0.989 0.507 -53.389 570 HH21 ARG 97 HH21 ARG 97 1.399 0.662 -56.860 571 HH22 ARG 97 HH22 ARG 97 1.737 1.427 -55.347 572 H SER 98 H SER 98 1.934 -6.036 -53.789 573 HA SER 98 HA SER 98 3.146 -5.679 -56.369 574 HB2 SER 98 HB2 SER 98 4.503 -6.229 -53.722 575 HB3 SER 98 HB3 SER 98 5.240 -5.548 -55.170 576 HG SER 98 HG SER 98 3.309 -4.389 -53.446 577 H CYS 99 H CYS 99 1.824 -8.276 -55.096 578 HA CYS 99 HA CYS 99 3.845 -10.231 -55.634 579 HB2 CYS 99 HB2 CYS 99 1.752 -10.342 -54.038 580 HB3 CYS 99 HB3 CYS 99 0.933 -10.854 -55.500 581 H SER 100 H SER 100 4.053 -11.435 -57.472 582 HA SER 100 HA SER 100 3.093 -10.311 -59.888 583 HB2 SER 100 HB2 SER 100 4.416 -12.997 -59.460 584 HB3 SER 100 HB3 SER 100 4.334 -12.090 -60.973 585 HG SER 100 HG SER 100 5.483 -10.390 -59.796 586 H CYS 101 H CYS 101 1.748 -12.539 -57.720 587 HA CYS 101 HA CYS 101 0.184 -13.958 -59.672 588 HB2 CYS 101 HB2 CYS 101 0.229 -14.002 -56.669 589 HB3 CYS 101 HB3 CYS 101 -0.859 -14.984 -57.650 590 H LYS 102 H LYS 102 -0.114 -10.899 -58.493 591 HA LYS 102 HA LYS 102 -3.006 -11.052 -58.248 592 HB2 LYS 102 HB2 LYS 102 -1.237 -8.614 -58.107 593 HB3 LYS 102 HB3 LYS 102 -2.938 -8.696 -57.674 594 HG2 LYS 102 HG2 LYS 102 -0.582 -9.864 -56.255 595 HG3 LYS 102 HG3 LYS 102 -1.783 -8.726 -55.651 596 HD2 LYS 102 HD2 LYS 102 -3.495 -10.506 -55.741 597 HD3 LYS 102 HD3 LYS 102 -2.263 -11.639 -56.314 598 HE2 LYS 102 HE2 LYS 102 -2.399 -12.008 -53.972 599 HE3 LYS 102 HE3 LYS 102 -0.943 -11.041 -54.233 600 HZ1 LYS 102 HZ1 LYS 102 -2.220 -9.059 -53.622 601 HZ2 LYS 102 HZ2 LYS 102 -2.154 -10.189 -52.371 602 HZ3 LYS 102 HZ3 LYS 102 -3.571 -10.031 -53.285 Start of MODEL 12 1 HA2 GLY 1 HA2 GLY 1 -6.819 -7.669 -7.433 2 HA3 GLY 1 HA3 GLY 1 -7.080 -8.594 -8.905 3 H SER 2 H SER 2 -6.036 -7.102 -10.866 4 HA SER 2 HA SER 2 -3.210 -7.057 -10.148 5 HB2 SER 2 HB2 SER 2 -2.878 -7.019 -12.650 6 HB3 SER 2 HB3 SER 2 -3.695 -8.455 -12.035 7 HG SER 2 HG SER 2 -4.642 -6.418 -13.657 8 H MET 3 H MET 3 -1.921 -5.294 -10.392 9 HA MET 3 HA MET 3 -3.004 -2.726 -10.160 10 HB2 MET 3 HB2 MET 3 -0.701 -1.916 -10.451 11 HB3 MET 3 HB3 MET 3 -0.769 -3.280 -9.344 12 HG2 MET 3 HG2 MET 3 -0.017 -4.764 -11.143 13 HG3 MET 3 HG3 MET 3 0.071 -3.386 -12.235 14 HE1 MET 3 HE1 MET 3 3.839 -4.338 -11.550 15 HE2 MET 3 HE2 MET 3 2.602 -4.124 -12.788 16 HE3 MET 3 HE3 MET 3 2.477 -5.453 -11.638 17 H SER 4 H SER 4 -3.053 -0.972 -11.587 18 HA SER 4 HA SER 4 -3.384 -1.764 -14.373 19 HB2 SER 4 HB2 SER 4 -4.201 0.797 -12.985 20 HB3 SER 4 HB3 SER 4 -4.654 0.299 -14.617 21 HG SER 4 HG SER 4 -5.761 -0.373 -12.240 22 H SER 5 H SER 5 -2.648 -0.274 -16.054 23 HA SER 5 HA SER 5 -1.049 0.818 -17.183 24 HB2 SER 5 HB2 SER 5 -1.656 2.687 -15.632 25 HB3 SER 5 HB3 SER 5 -0.366 2.164 -14.556 26 HG SER 5 HG SER 5 0.412 2.537 -17.174 27 H VAL 6 H VAL 6 0.004 -1.151 -17.526 28 HA VAL 6 HA VAL 6 2.565 -1.391 -16.104 29 HB VAL 6 HB VAL 6 2.505 -3.831 -16.586 30 HG11 VAL 6 HG11 VAL 6 0.902 -4.425 -14.838 31 HG12 VAL 6 HG12 VAL 6 0.170 -2.826 -14.962 32 HG13 VAL 6 HG13 VAL 6 1.830 -2.992 -14.394 33 HG21 VAL 6 HG21 VAL 6 0.396 -4.892 -17.223 34 HG22 VAL 6 HG22 VAL 6 0.952 -3.784 -18.479 35 HG23 VAL 6 HG23 VAL 6 -0.355 -3.306 -17.396 36 H PHE 7 H PHE 7 4.207 -2.594 -17.488 37 HA PHE 7 HA PHE 7 4.042 -1.490 -20.194 38 HB2 PHE 7 HB2 PHE 7 6.587 -1.851 -20.130 39 HB3 PHE 7 HB3 PHE 7 5.917 -0.549 -19.158 40 HD1 PHE 7 HD1 PHE 7 7.081 -4.073 -18.965 41 HD2 PHE 7 HD2 PHE 7 6.339 -0.445 -16.871 42 HE1 PHE 7 HE1 PHE 7 8.164 -5.006 -16.966 43 HE2 PHE 7 HE2 PHE 7 7.422 -1.374 -14.871 44 HZ PHE 7 HZ PHE 7 8.335 -3.658 -14.916 45 H GLY 8 H GLY 8 3.566 -4.312 -18.714 46 HA2 GLY 8 HA2 GLY 8 3.864 -5.779 -21.182 47 HA3 GLY 8 HA3 GLY 8 4.929 -6.312 -19.886 48 H ALA 9 H ALA 9 2.717 -7.722 -21.197 49 HA ALA 9 HA ALA 9 1.049 -9.163 -20.673 50 HB1 ALA 9 HB1 ALA 9 0.676 -9.834 -18.363 51 HB2 ALA 9 HB2 ALA 9 1.646 -8.474 -17.795 52 HB3 ALA 9 HB3 ALA 9 2.403 -9.772 -18.719 53 H GLY 10 H GLY 10 0.762 -6.149 -20.810 54 HA2 GLY 10 HA2 GLY 10 -1.868 -5.909 -19.513 55 HA3 GLY 10 HA3 GLY 10 -0.853 -4.556 -20.000 56 H CYS 11 H CYS 11 -2.160 -7.454 -21.560 57 HA CYS 11 HA CYS 11 -2.630 -5.911 -23.964 58 HB2 CYS 11 HB2 CYS 11 -1.825 -8.437 -23.688 59 HB3 CYS 11 HB3 CYS 11 -3.560 -8.734 -23.714 60 H THR 12 H THR 12 -4.984 -7.056 -24.964 61 HA THR 12 HA THR 12 -6.978 -6.259 -22.973 62 HB THR 12 HB THR 12 -6.539 -4.276 -24.345 63 HG1 THR 12 HG1 THR 12 -8.700 -4.633 -23.669 64 HG21 THR 12 HG21 THR 12 -7.392 -5.978 -26.688 65 HG22 THR 12 HG22 THR 12 -5.750 -5.413 -26.377 66 HG23 THR 12 HG23 THR 12 -7.028 -4.254 -26.743 67 H ASP 13 H ASP 13 -9.108 -7.018 -23.355 68 HA ASP 13 HA ASP 13 -9.207 -9.620 -24.545 69 HB2 ASP 13 HB2 ASP 13 -10.470 -9.142 -22.510 70 HB3 ASP 13 HB3 ASP 13 -11.394 -7.902 -23.350 71 H THR 14 H THR 14 -9.977 -6.408 -25.553 72 HA THR 14 HA THR 14 -11.767 -6.927 -27.665 73 HB THR 14 HB THR 14 -9.628 -4.783 -27.636 74 HG1 THR 14 HG1 THR 14 -12.243 -4.462 -26.582 75 HG21 THR 14 HG21 THR 14 -12.411 -4.830 -28.812 76 HG22 THR 14 HG22 THR 14 -10.918 -5.068 -29.720 77 HG23 THR 14 HG23 THR 14 -11.237 -3.510 -28.956 78 H CYS 15 H CYS 15 -8.478 -7.569 -27.228 79 HA CYS 15 HA CYS 15 -7.685 -7.632 -29.983 80 HB2 CYS 15 HB2 CYS 15 -6.271 -7.031 -27.965 81 HB3 CYS 15 HB3 CYS 15 -6.255 -8.745 -27.591 82 H LYS 16 H LYS 16 -9.452 -9.669 -28.021 83 HA LYS 16 HA LYS 16 -8.405 -12.148 -29.157 84 HB2 LYS 16 HB2 LYS 16 -10.666 -11.756 -27.197 85 HB3 LYS 16 HB3 LYS 16 -9.884 -13.276 -27.606 86 HG2 LYS 16 HG2 LYS 16 -8.661 -10.944 -26.153 87 HG3 LYS 16 HG3 LYS 16 -9.088 -12.518 -25.473 88 HD2 LYS 16 HD2 LYS 16 -7.461 -13.537 -27.088 89 HD3 LYS 16 HD3 LYS 16 -6.964 -11.893 -27.503 90 HE2 LYS 16 HE2 LYS 16 -6.357 -11.490 -25.172 91 HE3 LYS 16 HE3 LYS 16 -6.843 -13.134 -24.767 92 HZ1 LYS 16 HZ1 LYS 16 -4.628 -12.352 -26.581 93 HZ2 LYS 16 HZ2 LYS 16 -5.135 -13.939 -26.318 94 HZ3 LYS 16 HZ3 LYS 16 -4.481 -13.043 -25.043 95 H GLN 17 H GLN 17 -10.190 -9.892 -30.416 96 HA GLN 17 HA GLN 17 -12.475 -11.522 -31.200 97 HB2 GLN 17 HB2 GLN 17 -11.891 -8.670 -31.983 98 HB3 GLN 17 HB3 GLN 17 -13.407 -9.532 -32.170 99 HG2 GLN 17 HG2 GLN 17 -12.154 -8.404 -29.722 100 HG3 GLN 17 HG3 GLN 17 -13.780 -8.160 -30.352 101 HE21 GLN 17 HE21 GLN 17 -11.808 -9.930 -28.247 102 HE22 GLN 17 HE22 GLN 17 -12.996 -11.042 -27.688 103 H THR 18 H THR 18 -13.076 -11.629 -33.438 104 HA THR 18 HA THR 18 -10.922 -11.228 -35.354 105 HB THR 18 HB THR 18 -11.538 -13.525 -36.370 106 HG1 THR 18 HG1 THR 18 -12.530 -13.783 -33.717 107 HG21 THR 18 HG21 THR 18 -9.975 -13.398 -33.785 108 HG22 THR 18 HG22 THR 18 -9.346 -13.052 -35.396 109 HG23 THR 18 HG23 THR 18 -9.867 -14.686 -34.985 110 HA PRO 19 HA PRO 19 -10.621 -10.130 -36.964 111 HB2 PRO 19 HB2 PRO 19 -11.864 -7.545 -37.553 112 HB3 PRO 19 HB3 PRO 19 -10.743 -8.497 -38.529 113 HG2 PRO 19 HG2 PRO 19 -13.338 -8.232 -39.222 114 HG3 PRO 19 HG3 PRO 19 -12.428 -9.718 -39.538 115 HD2 PRO 19 HD2 PRO 19 -14.410 -9.134 -37.369 116 HD3 PRO 19 HD3 PRO 19 -14.193 -10.615 -38.330 117 H CYS 20 H CYS 20 -9.319 -8.628 -35.738 118 HA CYS 20 HA CYS 20 -10.098 -8.226 -33.089 119 HB2 CYS 20 HB2 CYS 20 -7.800 -7.311 -34.742 120 HB3 CYS 20 HB3 CYS 20 -8.089 -6.466 -33.231 121 H GLY 21 H GLY 21 -10.763 -6.476 -31.908 122 HA2 GLY 21 HA2 GLY 21 -12.313 -4.565 -33.446 123 HA3 GLY 21 HA3 GLY 21 -12.396 -4.825 -31.713 124 H CYS 22 H CYS 22 -9.205 -4.562 -32.181 125 HA CYS 22 HA CYS 22 -9.019 -2.023 -31.035 126 HB2 CYS 22 HB2 CYS 22 -6.966 -3.687 -32.482 127 HB3 CYS 22 HB3 CYS 22 -6.571 -2.154 -31.716 128 H GLY 23 H GLY 23 -8.197 -3.006 -34.376 129 HA2 GLY 23 HA2 GLY 23 -8.254 -1.828 -36.347 130 HA3 GLY 23 HA3 GLY 23 -9.292 -0.661 -35.539 131 H SER 24 H SER 24 -8.484 1.283 -35.084 132 HA SER 24 HA SER 24 -5.608 1.692 -35.490 133 HB2 SER 24 HB2 SER 24 -6.312 4.119 -35.791 134 HB3 SER 24 HB3 SER 24 -6.869 2.998 -37.034 135 HG SER 24 HG SER 24 -8.304 4.445 -35.172 136 H GLY 25 H GLY 25 -7.431 1.009 -33.001 137 HA2 GLY 25 HA2 GLY 25 -5.951 2.790 -31.194 138 HA3 GLY 25 HA3 GLY 25 -7.696 2.631 -31.007 139 H CYS 26 H CYS 26 -4.628 1.117 -30.593 140 HA CYS 26 HA CYS 26 -5.788 -1.391 -29.731 141 HB2 CYS 26 HB2 CYS 26 -2.917 -0.503 -29.738 142 HB3 CYS 26 HB3 CYS 26 -3.512 -2.149 -29.543 143 H ASN 27 H ASN 27 -6.081 -2.012 -27.724 144 HA ASN 27 HA ASN 27 -5.311 -0.193 -25.566 145 HB2 ASN 27 HB2 ASN 27 -7.108 -2.638 -25.502 146 HB3 ASN 27 HB3 ASN 27 -6.821 -1.549 -24.153 147 HD21 ASN 27 HD21 ASN 27 -9.311 -2.271 -25.443 148 HD22 ASN 27 HD22 ASN 27 -10.011 -0.799 -26.013 149 H CYS 28 H CYS 28 -3.993 -2.665 -27.201 150 HA CYS 28 HA CYS 28 -2.886 -4.071 -24.919 151 HB2 CYS 28 HB2 CYS 28 -1.834 -5.492 -26.741 152 HB3 CYS 28 HB3 CYS 28 -3.588 -5.542 -26.623 153 H LYS 29 H LYS 29 -0.465 -4.687 -25.285 154 HA LYS 29 HA LYS 29 0.951 -2.166 -25.271 155 HB2 LYS 29 HB2 LYS 29 1.968 -4.949 -24.685 156 HB3 LYS 29 HB3 LYS 29 2.833 -3.450 -24.385 157 HG2 LYS 29 HG2 LYS 29 0.318 -4.396 -23.030 158 HG3 LYS 29 HG3 LYS 29 1.926 -4.220 -22.317 159 HD2 LYS 29 HD2 LYS 29 1.843 -1.832 -22.633 160 HD3 LYS 29 HD3 LYS 29 0.296 -1.966 -23.469 161 HE2 LYS 29 HE2 LYS 29 -0.713 -2.847 -21.436 162 HE3 LYS 29 HE3 LYS 29 0.835 -2.678 -20.605 163 HZ1 LYS 29 HZ1 LYS 29 -0.729 -0.453 -21.794 164 HZ2 LYS 29 HZ2 LYS 29 0.738 -0.299 -20.965 165 HZ3 LYS 29 HZ3 LYS 29 -0.645 -0.815 -20.147 166 H GLU 30 H GLU 30 3.049 -1.959 -26.321 167 HA GLU 30 HA GLU 30 2.805 -2.643 -29.099 168 HB2 GLU 30 HB2 GLU 30 4.916 -1.429 -29.412 169 HB3 GLU 30 HB3 GLU 30 3.736 -0.497 -28.508 170 HG2 GLU 30 HG2 GLU 30 4.902 -0.912 -26.453 171 HG3 GLU 30 HG3 GLU 30 6.011 -2.023 -27.263 172 H ASP 31 H ASP 31 3.829 -4.365 -26.550 173 HA ASP 31 HA ASP 31 6.020 -5.822 -27.660 174 HB2 ASP 31 HB2 ASP 31 5.632 -5.762 -25.237 175 HB3 ASP 31 HB3 ASP 31 4.053 -6.506 -25.450 176 H CYS 32 H CYS 32 2.686 -5.713 -28.130 177 HA CYS 32 HA CYS 32 2.284 -8.413 -28.981 178 HB2 CYS 32 HB2 CYS 32 0.590 -6.724 -27.974 179 HB3 CYS 32 HB3 CYS 32 0.481 -6.098 -29.616 180 H ARG 33 H ARG 33 2.161 -9.164 -31.074 181 HA ARG 33 HA ARG 33 3.139 -7.345 -33.183 182 HB2 ARG 33 HB2 ARG 33 3.671 -10.262 -32.676 183 HB3 ARG 33 HB3 ARG 33 3.979 -9.517 -34.239 184 HG2 ARG 33 HG2 ARG 33 5.141 -8.430 -31.706 185 HG3 ARG 33 HG3 ARG 33 5.926 -9.709 -32.634 186 HD2 ARG 33 HD2 ARG 33 6.308 -8.334 -34.450 187 HD3 ARG 33 HD3 ARG 33 5.035 -7.206 -33.993 188 HE ARG 33 HE ARG 33 6.686 -6.829 -31.989 189 HH11 ARG 33 HH11 ARG 33 7.502 -7.227 -35.377 190 HH12 ARG 33 HH12 ARG 33 8.867 -6.169 -35.303 191 HH21 ARG 33 HH21 ARG 33 8.472 -5.424 -31.884 192 HH22 ARG 33 HH22 ARG 33 9.418 -5.118 -33.302 193 H CYS 34 H CYS 34 0.359 -8.126 -32.315 194 HA CYS 34 HA CYS 34 -0.753 -9.864 -34.219 195 HB2 CYS 34 HB2 CYS 34 -1.632 -8.542 -31.964 196 HB3 CYS 34 HB3 CYS 34 -2.569 -7.817 -33.265 197 H GLN 35 H GLN 35 -0.592 -9.501 -36.337 198 HA GLN 35 HA GLN 35 -0.322 -6.960 -37.534 199 HB2 GLN 35 HB2 GLN 35 -1.178 -9.559 -38.810 200 HB3 GLN 35 HB3 GLN 35 -0.626 -8.129 -39.669 201 HG2 GLN 35 HG2 GLN 35 0.999 -9.798 -37.765 202 HG3 GLN 35 HG3 GLN 35 1.131 -9.789 -39.523 203 HE21 GLN 35 HE21 GLN 35 1.798 -8.082 -36.591 204 HE22 GLN 35 HE22 GLN 35 2.884 -6.922 -37.279 205 H SER 36 H SER 36 -3.047 -8.664 -36.437 206 HA SER 36 HA SER 36 -5.070 -7.688 -38.114 207 HB2 SER 36 HB2 SER 36 -5.200 -8.353 -35.165 208 HB3 SER 36 HB3 SER 36 -6.585 -8.189 -36.245 209 HG SER 36 HG SER 36 -4.505 -9.998 -36.849 210 H CYS 37 H CYS 37 -3.252 -6.182 -35.572 211 HA CYS 37 HA CYS 37 -4.673 -3.682 -36.061 212 HB2 CYS 37 HB2 CYS 37 -4.247 -3.305 -33.492 213 HB3 CYS 37 HB3 CYS 37 -5.668 -4.191 -34.033 214 H LYS 38 H LYS 38 -2.137 -4.947 -36.897 215 HA LYS 38 HA LYS 38 -0.361 -2.773 -36.132 216 HB2 LYS 38 HB2 LYS 38 -0.112 -5.245 -34.930 217 HB3 LYS 38 HB3 LYS 38 1.024 -5.352 -36.263 218 HG2 LYS 38 HG2 LYS 38 0.996 -3.235 -34.123 219 HG3 LYS 38 HG3 LYS 38 2.100 -4.602 -34.232 220 HD2 LYS 38 HD2 LYS 38 1.843 -2.453 -36.320 221 HD3 LYS 38 HD3 LYS 38 3.054 -2.458 -35.040 222 HE2 LYS 38 HE2 LYS 38 2.732 -4.645 -37.093 223 HE3 LYS 38 HE3 LYS 38 3.875 -3.313 -37.229 224 HZ1 LYS 38 HZ1 LYS 38 4.930 -4.059 -35.192 225 HZ2 LYS 38 HZ2 LYS 38 4.937 -5.277 -36.356 226 HZ3 LYS 38 HZ3 LYS 38 3.849 -5.348 -35.064 227 H TYR 39 H TYR 39 -1.031 -2.222 -38.269 228 HA TYR 39 HA TYR 39 -0.027 -3.815 -40.490 229 HB2 TYR 39 HB2 TYR 39 -1.416 -1.125 -40.420 230 HB3 TYR 39 HB3 TYR 39 -0.892 -1.914 -41.893 231 HD1 TYR 39 HD1 TYR 39 -3.082 -2.456 -38.917 232 HD2 TYR 39 HD2 TYR 39 -2.313 -3.384 -42.997 233 HE1 TYR 39 HE1 TYR 39 -5.220 -3.662 -39.041 234 HE2 TYR 39 HE2 TYR 39 -4.447 -4.594 -43.130 235 HH TYR 39 HH TYR 39 -6.073 -5.619 -41.768 236 H GLY 40 H GLY 40 1.304 -2.695 -42.196 237 HA2 GLY 40 HA2 GLY 40 3.643 -1.547 -40.989 238 HA3 GLY 40 HA3 GLY 40 3.381 -1.825 -42.710 239 H ALA 41 H ALA 41 3.610 0.483 -40.313 240 HA ALA 41 HA ALA 41 3.418 2.724 -40.227 241 HB1 ALA 41 HB1 ALA 41 4.376 2.730 -42.475 242 HB2 ALA 41 HB2 ALA 41 3.205 4.034 -42.271 243 HB3 ALA 41 HB3 ALA 41 2.763 2.580 -43.166 244 H GLY 42 H GLY 42 0.822 1.098 -41.894 245 HA2 GLY 42 HA2 GLY 42 -1.323 1.224 -40.592 246 HA3 GLY 42 HA3 GLY 42 -1.079 2.965 -40.635 247 H CYS 43 H CYS 43 -0.138 1.146 -43.384 248 HA CYS 43 HA CYS 43 -0.714 1.888 -45.595 249 HB2 CYS 43 HB2 CYS 43 -1.068 -0.514 -45.239 250 HB3 CYS 43 HB3 CYS 43 -2.732 -0.192 -44.768 251 H THR 44 H THR 44 -3.883 1.032 -45.444 252 HA THR 44 HA THR 44 -4.864 3.779 -45.194 253 HB THR 44 HB THR 44 -6.498 3.266 -47.052 254 HG1 THR 44 HG1 THR 44 -4.677 1.173 -47.718 255 HG21 THR 44 HG21 THR 44 -4.888 3.676 -48.872 256 HG22 THR 44 HG22 THR 44 -3.570 3.265 -47.771 257 HG23 THR 44 HG23 THR 44 -4.567 4.685 -47.460 258 H ASP 45 H ASP 45 -6.917 3.933 -44.275 259 HA ASP 45 HA ASP 45 -7.608 1.691 -42.642 260 HB2 ASP 45 HB2 ASP 45 -8.865 4.416 -42.909 261 HB3 ASP 45 HB3 ASP 45 -9.415 3.191 -41.767 262 H VAL 46 H VAL 46 -8.665 2.867 -45.684 263 HA VAL 46 HA VAL 46 -11.239 1.642 -45.686 264 HB VAL 46 HB VAL 46 -9.482 2.179 -48.103 265 HG11 VAL 46 HG11 VAL 46 -11.398 0.707 -48.538 266 HG12 VAL 46 HG12 VAL 46 -11.582 2.266 -49.338 267 HG13 VAL 46 HG13 VAL 46 -12.479 1.923 -47.861 268 HG21 VAL 46 HG21 VAL 46 -10.723 4.306 -48.309 269 HG22 VAL 46 HG22 VAL 46 -9.729 4.238 -46.850 270 HG23 VAL 46 HG23 VAL 46 -11.474 3.994 -46.743 271 H CYS 47 H CYS 47 -8.007 0.546 -46.171 272 HA CYS 47 HA CYS 47 -8.692 -1.984 -47.346 273 HB2 CYS 47 HB2 CYS 47 -6.558 -0.817 -47.816 274 HB3 CYS 47 HB3 CYS 47 -6.107 -0.976 -46.127 275 H LYS 48 H LYS 48 -8.540 -0.655 -44.197 276 HA LYS 48 HA LYS 48 -8.205 -3.259 -42.902 277 HB2 LYS 48 HB2 LYS 48 -8.515 -0.569 -41.569 278 HB3 LYS 48 HB3 LYS 48 -7.910 -2.052 -40.851 279 HG2 LYS 48 HG2 LYS 48 -5.901 -1.929 -42.201 280 HG3 LYS 48 HG3 LYS 48 -6.527 -0.506 -43.039 281 HD2 LYS 48 HD2 LYS 48 -6.731 0.476 -40.642 282 HD3 LYS 48 HD3 LYS 48 -5.562 -0.775 -40.221 283 HE2 LYS 48 HE2 LYS 48 -3.928 0.137 -41.607 284 HE3 LYS 48 HE3 LYS 48 -5.103 1.098 -42.506 285 HZ1 LYS 48 HZ1 LYS 48 -5.481 2.406 -40.476 286 HZ2 LYS 48 HZ2 LYS 48 -3.891 2.521 -41.044 287 HZ3 LYS 48 HZ3 LYS 48 -4.238 1.546 -39.701 288 H GLN 49 H GLN 49 -10.673 -1.798 -44.295 289 HA GLN 49 HA GLN 49 -12.697 -1.671 -42.303 290 HB2 GLN 49 HB2 GLN 49 -12.950 -2.043 -45.296 291 HB3 GLN 49 HB3 GLN 49 -14.302 -1.746 -44.218 292 HG2 GLN 49 HG2 GLN 49 -13.329 0.421 -43.621 293 HG3 GLN 49 HG3 GLN 49 -11.993 0.109 -44.728 294 HE21 GLN 49 HE21 GLN 49 -13.954 2.264 -44.760 295 HE22 GLN 49 HE22 GLN 49 -14.741 2.177 -46.298 296 H THR 50 H THR 50 -14.719 -3.077 -42.477 297 HA THR 50 HA THR 50 -14.127 -5.853 -43.124 298 HB THR 50 HB THR 50 -15.210 -5.018 -40.425 299 HG1 THR 50 HG1 THR 50 -12.669 -5.318 -41.356 300 HG21 THR 50 HG21 THR 50 -16.079 -7.171 -41.298 301 HG22 THR 50 HG22 THR 50 -15.069 -7.375 -39.867 302 HG23 THR 50 HG23 THR 50 -14.419 -7.745 -41.466 303 HA PRO 51 HA PRO 51 -14.763 -6.963 -44.573 304 HB2 PRO 51 HB2 PRO 51 -15.742 -6.930 -47.087 305 HB3 PRO 51 HB3 PRO 51 -16.361 -8.035 -45.854 306 HG2 PRO 51 HG2 PRO 51 -17.495 -5.428 -46.798 307 HG3 PRO 51 HG3 PRO 51 -18.330 -6.958 -46.488 308 HD2 PRO 51 HD2 PRO 51 -18.324 -4.907 -44.714 309 HD3 PRO 51 HD3 PRO 51 -18.391 -6.607 -44.208 310 H CYS 52 H CYS 52 -13.142 -6.425 -46.200 311 HA CYS 52 HA CYS 52 -12.318 -3.762 -46.137 312 HB2 CYS 52 HB2 CYS 52 -10.762 -5.602 -46.534 313 HB3 CYS 52 HB3 CYS 52 -11.538 -5.944 -48.075 314 H GLY 53 H GLY 53 -12.444 -2.105 -47.560 315 HA2 GLY 53 HA2 GLY 53 -14.256 -2.492 -49.849 316 HA3 GLY 53 HA3 GLY 53 -14.442 -1.130 -48.755 317 H CYS 54 H CYS 54 -11.278 -2.251 -49.494 318 HA CYS 54 HA CYS 54 -10.495 0.271 -50.441 319 HB2 CYS 54 HB2 CYS 54 -8.941 -1.367 -49.404 320 HB3 CYS 54 HB3 CYS 54 -9.055 -2.345 -50.869 321 H ALA 55 H ALA 55 -10.960 -2.797 -52.167 322 HA ALA 55 HA ALA 55 -10.458 -1.715 -54.724 323 HB1 ALA 55 HB1 ALA 55 -11.435 -3.769 -55.593 324 HB2 ALA 55 HB2 ALA 55 -12.095 -4.145 -54.003 325 HB3 ALA 55 HB3 ALA 55 -10.349 -4.120 -54.248 326 H THR 56 H THR 56 -13.308 -1.971 -52.738 327 HA THR 56 HA THR 56 -15.290 -1.396 -54.611 328 HB THR 56 HB THR 56 -15.285 -0.487 -51.730 329 HG1 THR 56 HG1 THR 56 -16.471 -2.839 -51.980 330 HG21 THR 56 HG21 THR 56 -17.502 -1.386 -53.583 331 HG22 THR 56 HG22 THR 56 -17.180 0.276 -53.090 332 HG23 THR 56 HG23 THR 56 -17.702 -0.912 -51.896 333 H SER 57 H SER 57 -13.252 0.768 -52.665 334 HA SER 57 HA SER 57 -14.450 3.106 -53.937 335 HB2 SER 57 HB2 SER 57 -12.952 4.358 -52.321 336 HB3 SER 57 HB3 SER 57 -14.149 3.314 -51.556 337 HG SER 57 HG SER 57 -12.601 1.908 -50.992 338 H GLY 58 H GLY 58 -12.085 0.959 -54.634 339 HA2 GLY 58 HA2 GLY 58 -10.811 1.287 -56.678 340 HA3 GLY 58 HA3 GLY 58 -10.534 2.948 -56.160 341 H CYS 59 H CYS 59 -9.362 -0.225 -56.137 342 HA CYS 59 HA CYS 59 -7.936 -0.529 -53.812 343 HB2 CYS 59 HB2 CYS 59 -8.150 -2.174 -55.722 344 HB3 CYS 59 HB3 CYS 59 -6.889 -1.273 -56.554 345 H ASN 60 H ASN 60 -6.574 0.790 -52.838 346 HA ASN 60 HA ASN 60 -5.243 2.876 -54.359 347 HB2 ASN 60 HB2 ASN 60 -6.438 3.459 -52.294 348 HB3 ASN 60 HB3 ASN 60 -5.355 2.423 -51.374 349 HD21 ASN 60 HD21 ASN 60 -3.326 3.150 -50.856 350 HD22 ASN 60 HD22 ASN 60 -2.791 4.759 -51.176 351 H CYS 61 H CYS 61 -4.380 0.120 -52.363 352 HA CYS 61 HA CYS 61 -1.556 0.694 -52.598 353 HB2 CYS 61 HB2 CYS 61 -1.429 -1.520 -51.320 354 HB3 CYS 61 HB3 CYS 61 -2.179 -0.151 -50.501 355 H THR 62 H THR 62 -0.459 -1.809 -52.831 356 HA THR 62 HA THR 62 -1.120 -2.480 -55.607 357 HB THR 62 HB THR 62 1.197 -3.380 -55.721 358 HG1 THR 62 HG1 THR 62 2.231 -2.132 -53.603 359 HG21 THR 62 HG21 THR 62 1.012 -0.513 -54.787 360 HG22 THR 62 HG22 THR 62 0.731 -1.078 -56.433 361 HG23 THR 62 HG23 THR 62 2.337 -1.212 -55.717 362 H ASP 63 H ASP 63 -0.394 -4.839 -56.135 363 HA ASP 63 HA ASP 63 -1.924 -6.583 -54.421 364 HB2 ASP 63 HB2 ASP 63 -0.342 -7.152 -56.939 365 HB3 ASP 63 HB3 ASP 63 -1.353 -8.333 -56.110 366 H ASP 64 H ASP 64 0.974 -5.393 -54.101 367 HA ASP 64 HA ASP 64 2.447 -7.705 -53.195 368 HB2 ASP 64 HB2 ASP 64 3.564 -5.776 -54.280 369 HB3 ASP 64 HB3 ASP 64 3.041 -4.741 -52.960 370 H CYS 65 H CYS 65 0.002 -5.782 -51.959 371 HA CYS 65 HA CYS 65 0.798 -5.574 -49.199 372 HB2 CYS 65 HB2 CYS 65 -0.975 -4.140 -50.430 373 HB3 CYS 65 HB3 CYS 65 -2.042 -5.529 -50.260 374 H LYS 66 H LYS 66 -0.347 -6.652 -47.435 375 HA LYS 66 HA LYS 66 -0.314 -9.477 -47.969 376 HB2 LYS 66 HB2 LYS 66 0.329 -7.867 -45.762 377 HB3 LYS 66 HB3 LYS 66 -1.038 -8.861 -45.263 378 HG2 LYS 66 HG2 LYS 66 0.199 -10.834 -46.135 379 HG3 LYS 66 HG3 LYS 66 1.579 -9.764 -46.373 380 HD2 LYS 66 HD2 LYS 66 1.826 -9.385 -44.047 381 HD3 LYS 66 HD3 LYS 66 0.230 -10.044 -43.689 382 HE2 LYS 66 HE2 LYS 66 2.077 -11.565 -43.069 383 HE3 LYS 66 HE3 LYS 66 0.965 -12.263 -44.243 384 HZ1 LYS 66 HZ1 LYS 66 2.529 -11.803 -45.989 385 HZ2 LYS 66 HZ2 LYS 66 3.305 -12.685 -44.776 386 HZ3 LYS 66 HZ3 LYS 66 3.575 -11.024 -44.916 387 H CYS 67 H CYS 67 -2.660 -7.172 -48.130 388 HA CYS 67 HA CYS 67 -4.744 -8.862 -47.057 389 HB2 CYS 67 HB2 CYS 67 -4.858 -6.417 -46.712 390 HB3 CYS 67 HB3 CYS 67 -5.009 -6.205 -48.456 391 H GLN 68 H GLN 68 -5.962 -10.186 -48.202 392 HA GLN 68 HA GLN 68 -5.491 -10.271 -51.094 393 HB2 GLN 68 HB2 GLN 68 -6.522 -12.417 -49.226 394 HB3 GLN 68 HB3 GLN 68 -6.247 -12.618 -50.950 395 HG2 GLN 68 HG2 GLN 68 -3.861 -12.234 -50.633 396 HG3 GLN 68 HG3 GLN 68 -4.120 -11.973 -48.910 397 HE21 GLN 68 HE21 GLN 68 -4.560 -13.738 -47.584 398 HE22 GLN 68 HE22 GLN 68 -4.311 -15.367 -48.103 399 H SER 69 H SER 69 -7.584 -8.758 -49.283 400 HA SER 69 HA SER 69 -10.090 -9.774 -50.279 401 HB2 SER 69 HB2 SER 69 -9.863 -8.645 -48.032 402 HB3 SER 69 HB3 SER 69 -9.596 -7.125 -48.881 403 HG SER 69 HG SER 69 -11.886 -8.206 -48.226 404 H CYS 70 H CYS 70 -8.215 -6.794 -50.799 405 HA CYS 70 HA CYS 70 -9.920 -6.057 -53.029 406 HB2 CYS 70 HB2 CYS 70 -8.348 -4.065 -53.059 407 HB3 CYS 70 HB3 CYS 70 -9.353 -4.273 -51.625 408 H SER 71 H SER 71 -6.701 -7.262 -52.403 409 HA SER 71 HA SER 71 -5.544 -6.767 -54.913 410 HB2 SER 71 HB2 SER 71 -4.259 -7.287 -52.857 411 HB3 SER 71 HB3 SER 71 -4.861 -8.942 -52.922 412 HG SER 71 HG SER 71 -3.540 -7.848 -55.155 413 H THR 72 H THR 72 -4.855 -8.420 -56.459 414 HA THR 72 HA THR 72 -7.084 -9.864 -57.465 415 HB THR 72 HB THR 72 -5.523 -8.894 -59.027 416 HG1 THR 72 HG1 THR 72 -6.310 -10.653 -60.007 417 HG21 THR 72 HG21 THR 72 -3.432 -10.754 -57.894 418 HG22 THR 72 HG22 THR 72 -3.517 -9.019 -57.598 419 HG23 THR 72 HG23 THR 72 -3.218 -9.617 -59.225 420 H ALA 73 H ALA 73 -7.410 -12.049 -57.630 421 HA ALA 73 HA ALA 73 -6.180 -13.622 -55.519 422 HB1 ALA 73 HB1 ALA 73 -8.594 -13.604 -55.634 423 HB2 ALA 73 HB2 ALA 73 -8.003 -15.221 -56.018 424 HB3 ALA 73 HB3 ALA 73 -8.547 -14.154 -57.307 425 H CYS 74 H CYS 74 -5.656 -15.918 -55.983 426 HA CYS 74 HA CYS 74 -4.005 -16.161 -58.332 427 HB2 CYS 74 HB2 CYS 74 -3.849 -17.235 -55.836 428 HB3 CYS 74 HB3 CYS 74 -4.602 -18.567 -56.705 429 H LYS 75 H LYS 75 -4.450 -17.461 -60.117 430 HA LYS 75 HA LYS 75 -7.295 -17.997 -60.472 431 HB2 LYS 75 HB2 LYS 75 -6.854 -18.026 -62.802 432 HB3 LYS 75 HB3 LYS 75 -6.034 -16.635 -62.101 433 HG2 LYS 75 HG2 LYS 75 -3.958 -18.072 -62.024 434 HG3 LYS 75 HG3 LYS 75 -4.837 -19.212 -63.046 435 HD2 LYS 75 HD2 LYS 75 -4.275 -16.334 -63.663 436 HD3 LYS 75 HD3 LYS 75 -3.455 -17.726 -64.369 437 HE2 LYS 75 HE2 LYS 75 -5.529 -18.457 -65.393 438 HE3 LYS 75 HE3 LYS 75 -6.402 -17.132 -64.624 439 HZ1 LYS 75 HZ1 LYS 75 -5.858 -16.661 -66.937 440 HZ2 LYS 75 HZ2 LYS 75 -4.209 -16.815 -66.595 441 HZ3 LYS 75 HZ3 LYS 75 -5.106 -15.566 -65.890 442 H CYS 76 H CYS 76 -4.644 -19.697 -59.555 443 HA CYS 76 HA CYS 76 -4.849 -22.066 -61.033 444 HB2 CYS 76 HB2 CYS 76 -3.859 -21.630 -58.218 445 HB3 CYS 76 HB3 CYS 76 -3.573 -23.071 -59.190 446 H ALA 77 H ALA 77 -5.426 -24.204 -59.900 447 HA ALA 77 HA ALA 77 -7.838 -23.940 -58.246 448 HB1 ALA 77 HB1 ALA 77 -7.640 -25.698 -60.678 449 HB2 ALA 77 HB2 ALA 77 -8.527 -24.172 -60.605 450 HB3 ALA 77 HB3 ALA 77 -9.029 -25.540 -59.606 451 H ALA 78 H ALA 78 -8.569 -26.327 -57.684 452 HA ALA 78 HA ALA 78 -6.521 -27.422 -56.091 453 HB1 ALA 78 HB1 ALA 78 -8.904 -27.598 -55.524 454 HB2 ALA 78 HB2 ALA 78 -8.113 -29.173 -55.544 455 HB3 ALA 78 HB3 ALA 78 -9.140 -28.685 -56.891 456 H GLY 79 H GLY 79 -4.789 -28.053 -57.216 457 HA2 GLY 79 HA2 GLY 79 -3.578 -29.908 -58.040 458 HA3 GLY 79 HA3 GLY 79 -5.069 -30.540 -58.727 459 H SER 80 H SER 80 -4.583 -27.227 -59.231 460 HA SER 80 HA SER 80 -3.371 -27.681 -61.855 461 HB2 SER 80 HB2 SER 80 -5.801 -25.952 -61.383 462 HB3 SER 80 HB3 SER 80 -5.023 -26.278 -62.930 463 HG SER 80 HG SER 80 -5.601 -28.470 -62.690 464 H CYS 81 H CYS 81 -1.456 -26.764 -61.137 465 HA CYS 81 HA CYS 81 -1.561 -23.888 -60.480 466 HB2 CYS 81 HB2 CYS 81 -0.768 -25.242 -58.584 467 HB3 CYS 81 HB3 CYS 81 0.460 -25.973 -59.606 468 H LYS 82 H LYS 82 -0.912 -22.721 -62.207 469 HA LYS 82 HA LYS 82 1.042 -23.948 -64.037 470 HB2 LYS 82 HB2 LYS 82 0.249 -22.349 -65.746 471 HB3 LYS 82 HB3 LYS 82 -0.975 -23.480 -65.195 472 HG2 LYS 82 HG2 LYS 82 -0.892 -20.891 -63.790 473 HG3 LYS 82 HG3 LYS 82 -1.383 -20.837 -65.473 474 HD2 LYS 82 HD2 LYS 82 -2.603 -22.603 -63.378 475 HD3 LYS 82 HD3 LYS 82 -3.278 -21.073 -63.938 476 HE2 LYS 82 HE2 LYS 82 -2.792 -23.509 -65.670 477 HE3 LYS 82 HE3 LYS 82 -4.346 -23.019 -65.012 478 HZ1 LYS 82 HZ1 LYS 82 -3.991 -22.338 -67.339 479 HZ2 LYS 82 HZ2 LYS 82 -2.720 -21.345 -66.844 480 HZ3 LYS 82 HZ3 LYS 82 -4.290 -21.033 -66.310 481 H CYS 83 H CYS 83 0.610 -21.272 -61.912 482 HA CYS 83 HA CYS 83 2.539 -19.554 -63.095 483 HB2 CYS 83 HB2 CYS 83 2.527 -18.480 -60.815 484 HB3 CYS 83 HB3 CYS 83 0.956 -18.596 -61.604 485 H GLY 84 H GLY 84 2.664 -22.178 -60.799 486 HA2 GLY 84 HA2 GLY 84 4.540 -23.551 -60.487 487 HA3 GLY 84 HA3 GLY 84 5.549 -22.292 -61.180 488 H LYS 85 H LYS 85 3.280 -21.376 -58.754 489 HA LYS 85 HA LYS 85 5.525 -21.002 -56.913 490 HB2 LYS 85 HB2 LYS 85 2.816 -19.665 -56.992 491 HB3 LYS 85 HB3 LYS 85 4.043 -19.358 -55.771 492 HG2 LYS 85 HG2 LYS 85 4.377 -18.859 -58.731 493 HG3 LYS 85 HG3 LYS 85 3.999 -17.628 -57.527 494 HD2 LYS 85 HD2 LYS 85 6.504 -19.335 -57.516 495 HD3 LYS 85 HD3 LYS 85 6.411 -17.693 -58.151 496 HE2 LYS 85 HE2 LYS 85 5.757 -16.871 -55.941 497 HE3 LYS 85 HE3 LYS 85 5.824 -18.512 -55.306 498 HZ1 LYS 85 HZ1 LYS 85 7.821 -17.241 -54.794 499 HZ2 LYS 85 HZ2 LYS 85 8.127 -17.030 -56.441 500 HZ3 LYS 85 HZ3 LYS 85 8.172 -18.578 -55.764 501 H GLY 86 H GLY 86 3.330 -23.261 -57.477 502 HA2 GLY 86 HA2 GLY 86 2.730 -25.101 -56.240 503 HA3 GLY 86 HA3 GLY 86 3.669 -24.446 -54.911 504 H CYS 87 H CYS 87 1.027 -22.753 -56.454 505 HA CYS 87 HA CYS 87 -0.528 -23.102 -53.993 506 HB2 CYS 87 HB2 CYS 87 -1.531 -20.833 -54.825 507 HB3 CYS 87 HB3 CYS 87 0.000 -20.859 -53.954 508 H THR 88 H THR 88 -2.422 -24.075 -54.241 509 HA THR 88 HA THR 88 -3.412 -24.416 -56.966 510 HB THR 88 HB THR 88 -4.827 -26.249 -55.871 511 HG1 THR 88 HG1 THR 88 -4.627 -25.912 -53.717 512 HG21 THR 88 HG21 THR 88 -1.814 -26.514 -55.885 513 HG22 THR 88 HG22 THR 88 -2.870 -26.710 -57.283 514 HG23 THR 88 HG23 THR 88 -2.962 -27.851 -55.940 515 H GLY 89 H GLY 89 -4.060 -22.036 -56.424 516 HA2 GLY 89 HA2 GLY 89 -6.313 -21.125 -56.837 517 HA3 GLY 89 HA3 GLY 89 -6.875 -22.136 -55.513 518 HA PRO 90 HA PRO 90 -5.632 -17.671 -54.184 519 HB2 PRO 90 HB2 PRO 90 -8.150 -17.023 -53.278 520 HB3 PRO 90 HB3 PRO 90 -7.514 -16.593 -54.869 521 HG2 PRO 90 HG2 PRO 90 -9.222 -18.922 -54.087 522 HG3 PRO 90 HG3 PRO 90 -9.426 -17.818 -55.469 523 HD2 PRO 90 HD2 PRO 90 -8.367 -20.215 -55.823 524 HD3 PRO 90 HD3 PRO 90 -7.643 -18.809 -56.637 525 H ASP 91 H ASP 91 -7.465 -20.339 -52.860 526 HA ASP 91 HA ASP 91 -7.278 -19.486 -50.129 527 HB2 ASP 91 HB2 ASP 91 -8.203 -21.652 -49.577 528 HB3 ASP 91 HB3 ASP 91 -9.055 -21.024 -50.983 529 H SER 92 H SER 92 -5.327 -21.280 -52.333 530 HA SER 92 HA SER 92 -3.551 -22.205 -50.212 531 HB2 SER 92 HB2 SER 92 -4.186 -23.814 -51.957 532 HB3 SER 92 HB3 SER 92 -3.540 -22.740 -53.192 533 HG SER 92 HG SER 92 -1.550 -23.018 -51.607 534 H CYS 93 H CYS 93 -3.853 -19.796 -52.642 535 HA CYS 93 HA CYS 93 -1.085 -19.191 -52.908 536 HB2 CYS 93 HB2 CYS 93 -2.680 -18.606 -54.652 537 HB3 CYS 93 HB3 CYS 93 -3.523 -17.531 -53.542 538 H LYS 94 H LYS 94 0.085 -18.419 -51.357 539 HA LYS 94 HA LYS 94 -1.012 -16.268 -49.682 540 HB2 LYS 94 HB2 LYS 94 0.903 -18.464 -48.846 541 HB3 LYS 94 HB3 LYS 94 0.420 -17.109 -47.835 542 HG2 LYS 94 HG2 LYS 94 -1.893 -17.886 -47.884 543 HG3 LYS 94 HG3 LYS 94 -1.422 -19.237 -48.914 544 HD2 LYS 94 HD2 LYS 94 -0.386 -18.731 -46.126 545 HD3 LYS 94 HD3 LYS 94 -1.668 -19.869 -46.537 546 HE2 LYS 94 HE2 LYS 94 -0.068 -21.068 -48.001 547 HE3 LYS 94 HE3 LYS 94 1.200 -19.972 -47.460 548 HZ1 LYS 94 HZ1 LYS 94 -0.343 -21.838 -45.747 549 HZ2 LYS 94 HZ2 LYS 94 0.834 -20.754 -45.191 550 HZ3 LYS 94 HZ3 LYS 94 1.268 -22.018 -46.226 551 H CYS 95 H CYS 95 0.385 -16.276 -52.193 552 HA CYS 95 HA CYS 95 3.068 -15.324 -51.555 553 HB2 CYS 95 HB2 CYS 95 1.831 -15.736 -54.277 554 HB3 CYS 95 HB3 CYS 95 3.540 -15.600 -53.880 555 H ASP 96 H ASP 96 3.660 -13.499 -53.310 556 HA ASP 96 HA ASP 96 1.785 -11.302 -52.785 557 HB2 ASP 96 HB2 ASP 96 4.666 -11.186 -53.719 558 HB3 ASP 96 HB3 ASP 96 3.671 -9.812 -53.268 559 H ARG 97 H ARG 97 2.702 -9.560 -54.781 560 HA ARG 97 HA ARG 97 1.124 -10.380 -57.010 561 HB2 ARG 97 HB2 ARG 97 1.760 -8.235 -57.992 562 HB3 ARG 97 HB3 ARG 97 1.284 -8.045 -56.311 563 HG2 ARG 97 HG2 ARG 97 3.605 -7.886 -55.638 564 HG3 ARG 97 HG3 ARG 97 4.125 -8.146 -57.305 565 HD2 ARG 97 HD2 ARG 97 3.023 -6.085 -57.982 566 HD3 ARG 97 HD3 ARG 97 2.435 -5.844 -56.339 567 HE ARG 97 HE ARG 97 5.151 -6.037 -56.087 568 HH11 ARG 97 HH11 ARG 97 2.954 -3.988 -57.879 569 HH12 ARG 97 HH12 ARG 97 4.005 -2.618 -57.869 570 HH21 ARG 97 HH21 ARG 97 6.548 -4.230 -56.041 571 HH22 ARG 97 HH22 ARG 97 6.069 -2.754 -56.809 572 H SER 98 H SER 98 4.051 -11.490 -56.202 573 HA SER 98 HA SER 98 5.653 -11.160 -58.489 574 HB2 SER 98 HB2 SER 98 6.506 -11.915 -56.274 575 HB3 SER 98 HB3 SER 98 5.703 -13.464 -56.523 576 HG SER 98 HG SER 98 7.527 -12.453 -58.429 577 H CYS 99 H CYS 99 2.939 -13.190 -57.870 578 HA CYS 99 HA CYS 99 3.384 -15.196 -59.799 579 HB2 CYS 99 HB2 CYS 99 0.910 -14.030 -58.579 580 HB3 CYS 99 HB3 CYS 99 0.816 -15.330 -59.743 581 H SER 100 H SER 100 3.419 -15.041 -61.948 582 HA SER 100 HA SER 100 2.690 -12.562 -63.229 583 HB2 SER 100 HB2 SER 100 3.766 -15.123 -64.418 584 HB3 SER 100 HB3 SER 100 3.667 -13.560 -65.231 585 HG SER 100 HG SER 100 5.371 -14.410 -63.174 586 H CYS 101 H CYS 101 0.875 -14.971 -62.195 587 HA CYS 101 HA CYS 101 -0.784 -15.346 -64.552 588 HB2 CYS 101 HB2 CYS 101 -2.047 -16.868 -63.111 589 HB3 CYS 101 HB3 CYS 101 -0.327 -17.246 -63.063 590 H LYS 102 H LYS 102 -0.412 -12.985 -62.319 591 HA LYS 102 HA LYS 102 -3.083 -12.548 -61.457 592 HB2 LYS 102 HB2 LYS 102 -0.768 -10.614 -61.527 593 HB3 LYS 102 HB3 LYS 102 -2.272 -10.377 -60.660 594 HG2 LYS 102 HG2 LYS 102 -0.050 -12.306 -60.069 595 HG3 LYS 102 HG3 LYS 102 -0.730 -11.054 -59.030 596 HD2 LYS 102 HD2 LYS 102 -2.881 -12.387 -59.070 597 HD3 LYS 102 HD3 LYS 102 -1.953 -13.701 -59.804 598 HE2 LYS 102 HE2 LYS 102 -0.373 -13.140 -57.691 599 HE3 LYS 102 HE3 LYS 102 -1.914 -12.617 -57.042 600 HZ1 LYS 102 HZ1 LYS 102 -1.375 -15.329 -58.145 601 HZ2 LYS 102 HZ2 LYS 102 -2.831 -14.801 -57.468 602 HZ3 LYS 102 HZ3 LYS 102 -1.452 -14.937 -56.503 Start of MODEL 13 1 HA2 GLY 1 HA2 GLY 1 -12.536 6.014 -5.205 2 HA3 GLY 1 HA3 GLY 1 -12.376 4.933 -3.830 3 H SER 2 H SER 2 -10.388 3.924 -3.425 4 HA SER 2 HA SER 2 -8.110 5.437 -4.204 5 HB2 SER 2 HB2 SER 2 -8.206 2.770 -2.780 6 HB3 SER 2 HB3 SER 2 -6.850 3.896 -2.809 7 HG SER 2 HG SER 2 -8.417 3.893 -0.941 8 H MET 3 H MET 3 -9.628 2.580 -5.408 9 HA MET 3 HA MET 3 -7.344 2.062 -7.171 10 HB2 MET 3 HB2 MET 3 -8.305 -0.120 -7.601 11 HB3 MET 3 HB3 MET 3 -8.206 0.125 -5.865 12 HG2 MET 3 HG2 MET 3 -10.706 0.486 -7.510 13 HG3 MET 3 HG3 MET 3 -10.298 -0.967 -6.603 14 HE1 MET 3 HE1 MET 3 -13.248 0.672 -4.566 15 HE2 MET 3 HE2 MET 3 -12.726 -0.730 -5.503 16 HE3 MET 3 HE3 MET 3 -13.035 0.806 -6.311 17 H SER 4 H SER 4 -7.692 1.909 -9.435 18 HA SER 4 HA SER 4 -10.264 2.482 -10.547 19 HB2 SER 4 HB2 SER 4 -9.539 4.745 -9.775 20 HB3 SER 4 HB3 SER 4 -8.124 4.611 -10.817 21 HG SER 4 HG SER 4 -10.236 5.686 -11.554 22 H SER 5 H SER 5 -10.376 1.628 -12.514 23 HA SER 5 HA SER 5 -7.899 0.789 -13.815 24 HB2 SER 5 HB2 SER 5 -9.794 -0.861 -13.374 25 HB3 SER 5 HB3 SER 5 -10.736 0.030 -14.567 26 HG SER 5 HG SER 5 -9.609 -0.850 -16.124 27 H VAL 6 H VAL 6 -7.128 2.088 -15.335 28 HA VAL 6 HA VAL 6 -8.723 4.241 -16.334 29 HB VAL 6 HB VAL 6 -6.643 4.834 -17.645 30 HG11 VAL 6 HG11 VAL 6 -7.198 5.863 -15.508 31 HG12 VAL 6 HG12 VAL 6 -5.455 5.632 -15.652 32 HG13 VAL 6 HG13 VAL 6 -6.410 4.537 -14.652 33 HG21 VAL 6 HG21 VAL 6 -5.464 2.599 -15.990 34 HG22 VAL 6 HG22 VAL 6 -4.554 3.745 -16.973 35 HG23 VAL 6 HG23 VAL 6 -5.650 2.598 -17.743 36 H PHE 7 H PHE 7 -9.912 4.286 -18.041 37 HA PHE 7 HA PHE 7 -9.994 2.059 -19.855 38 HB2 PHE 7 HB2 PHE 7 -11.579 4.637 -19.818 39 HB3 PHE 7 HB3 PHE 7 -11.905 3.259 -20.864 40 HD1 PHE 7 HD1 PHE 7 -12.103 4.568 -17.458 41 HD2 PHE 7 HD2 PHE 7 -12.900 1.240 -19.985 42 HE1 PHE 7 HE1 PHE 7 -13.544 3.599 -15.719 43 HE2 PHE 7 HE2 PHE 7 -14.345 0.264 -18.249 44 HZ PHE 7 HZ PHE 7 -14.667 1.444 -16.113 45 H GLY 8 H GLY 8 -8.834 1.926 -21.629 46 HA2 GLY 8 HA2 GLY 8 -7.886 2.562 -23.638 47 HA3 GLY 8 HA3 GLY 8 -8.425 4.202 -23.337 48 H ALA 9 H ALA 9 -7.116 4.436 -20.802 49 HA ALA 9 HA ALA 9 -4.548 5.269 -21.836 50 HB1 ALA 9 HB1 ALA 9 -5.629 5.603 -19.052 51 HB2 ALA 9 HB2 ALA 9 -5.887 6.730 -20.381 52 HB3 ALA 9 HB3 ALA 9 -4.258 6.450 -19.764 53 H GLY 10 H GLY 10 -5.634 2.477 -20.329 54 HA2 GLY 10 HA2 GLY 10 -3.243 1.886 -18.821 55 HA3 GLY 10 HA3 GLY 10 -4.568 0.776 -19.151 56 H CYS 11 H CYS 11 -2.119 2.534 -20.984 57 HA CYS 11 HA CYS 11 -1.956 0.355 -22.872 58 HB2 CYS 11 HB2 CYS 11 -1.836 3.003 -23.218 59 HB3 CYS 11 HB3 CYS 11 -0.114 2.656 -23.082 60 H THR 12 H THR 12 0.722 0.476 -23.663 61 HA THR 12 HA THR 12 2.270 -0.294 -21.320 62 HB THR 12 HB THR 12 1.110 -2.374 -21.901 63 HG1 THR 12 HG1 THR 12 2.936 -3.313 -21.446 64 HG21 THR 12 HG21 THR 12 1.486 -3.446 -24.100 65 HG22 THR 12 HG22 THR 12 2.332 -1.997 -24.640 66 HG23 THR 12 HG23 THR 12 0.616 -1.918 -24.244 67 H ASP 13 H ASP 13 4.520 -0.628 -21.788 68 HA ASP 13 HA ASP 13 5.500 1.138 -23.842 69 HB2 ASP 13 HB2 ASP 13 7.726 0.637 -22.915 70 HB3 ASP 13 HB3 ASP 13 6.587 1.092 -21.653 71 H THR 14 H THR 14 4.746 -2.144 -23.656 72 HA THR 14 HA THR 14 6.593 -3.095 -25.621 73 HB THR 14 HB THR 14 3.921 -4.253 -24.759 74 HG1 THR 14 HG1 THR 14 6.563 -4.483 -23.745 75 HG21 THR 14 HG21 THR 14 5.072 -6.423 -25.431 76 HG22 THR 14 HG22 THR 14 6.278 -5.419 -26.243 77 HG23 THR 14 HG23 THR 14 4.586 -5.370 -26.757 78 H CYS 15 H CYS 15 3.959 -1.068 -25.725 79 HA CYS 15 HA CYS 15 2.992 -1.826 -28.347 80 HB2 CYS 15 HB2 CYS 15 1.578 -0.994 -26.399 81 HB3 CYS 15 HB3 CYS 15 2.255 0.595 -26.737 82 H LYS 16 H LYS 16 5.471 0.071 -27.108 83 HA LYS 16 HA LYS 16 5.405 1.811 -29.458 84 HB2 LYS 16 HB2 LYS 16 7.077 3.208 -28.071 85 HB3 LYS 16 HB3 LYS 16 5.375 3.243 -27.638 86 HG2 LYS 16 HG2 LYS 16 5.894 1.463 -25.948 87 HG3 LYS 16 HG3 LYS 16 7.600 1.793 -26.261 88 HD2 LYS 16 HD2 LYS 16 5.555 3.814 -25.369 89 HD3 LYS 16 HD3 LYS 16 6.718 3.024 -24.310 90 HE2 LYS 16 HE2 LYS 16 8.538 3.972 -25.777 91 HE3 LYS 16 HE3 LYS 16 7.292 4.927 -26.577 92 HZ1 LYS 16 HZ1 LYS 16 8.133 5.071 -23.741 93 HZ2 LYS 16 HZ2 LYS 16 6.750 5.840 -24.331 94 HZ3 LYS 16 HZ3 LYS 16 8.268 6.276 -24.917 95 H GLN 17 H GLN 17 6.410 -0.947 -29.198 96 HA GLN 17 HA GLN 17 9.273 -0.750 -29.616 97 HB2 GLN 17 HB2 GLN 17 7.471 -3.113 -30.166 98 HB3 GLN 17 HB3 GLN 17 9.211 -3.133 -29.949 99 HG2 GLN 17 HG2 GLN 17 7.221 -2.411 -27.828 100 HG3 GLN 17 HG3 GLN 17 7.961 -3.999 -28.020 101 HE21 GLN 17 HE21 GLN 17 8.423 -0.717 -27.071 102 HE22 GLN 17 HE22 GLN 17 9.958 -0.948 -26.309 103 H THR 18 H THR 18 10.263 -1.522 -31.632 104 HA THR 18 HA THR 18 8.561 -1.432 -34.015 105 HB THR 18 HB THR 18 10.311 -0.037 -35.196 106 HG1 THR 18 HG1 THR 18 11.924 -0.373 -33.500 107 HG21 THR 18 HG21 THR 18 9.516 2.119 -34.314 108 HG22 THR 18 HG22 THR 18 8.876 1.296 -32.891 109 HG23 THR 18 HG23 THR 18 8.193 0.964 -34.483 110 HA PRO 19 HA PRO 19 7.952 -2.859 -35.330 111 HB2 PRO 19 HB2 PRO 19 7.368 -5.513 -35.219 112 HB3 PRO 19 HB3 PRO 19 8.107 -4.731 -36.623 113 HG2 PRO 19 HG2 PRO 19 9.414 -6.297 -34.426 114 HG3 PRO 19 HG3 PRO 19 9.697 -6.380 -36.175 115 HD2 PRO 19 HD2 PRO 19 11.346 -5.027 -34.535 116 HD3 PRO 19 HD3 PRO 19 10.993 -4.461 -36.181 117 H CYS 20 H CYS 20 5.963 -3.258 -34.246 118 HA CYS 20 HA CYS 20 6.008 -2.745 -31.527 119 HB2 CYS 20 HB2 CYS 20 4.079 -2.892 -33.520 120 HB3 CYS 20 HB3 CYS 20 3.553 -4.055 -32.306 121 H GLY 21 H GLY 21 5.621 -3.917 -29.676 122 HA2 GLY 21 HA2 GLY 21 6.526 -6.658 -29.811 123 HA3 GLY 21 HA3 GLY 21 6.248 -5.713 -28.357 124 H CYS 22 H CYS 22 3.507 -5.066 -29.684 125 HA CYS 22 HA CYS 22 2.148 -7.185 -28.339 126 HB2 CYS 22 HB2 CYS 22 1.174 -4.771 -29.838 127 HB3 CYS 22 HB3 CYS 22 0.069 -5.972 -29.176 128 H GLY 23 H GLY 23 3.693 -7.700 -30.857 129 HA2 GLY 23 HA2 GLY 23 1.845 -8.390 -32.912 130 HA3 GLY 23 HA3 GLY 23 3.521 -8.918 -32.804 131 H SER 24 H SER 24 2.444 -9.710 -29.936 132 HA SER 24 HA SER 24 0.917 -12.078 -30.618 133 HB2 SER 24 HB2 SER 24 3.472 -12.285 -29.016 134 HB3 SER 24 HB3 SER 24 2.421 -13.606 -29.520 135 HG SER 24 HG SER 24 3.025 -12.393 -31.724 136 H GLY 25 H GLY 25 -0.502 -10.411 -29.479 137 HA2 GLY 25 HA2 GLY 25 -1.869 -10.631 -27.522 138 HA3 GLY 25 HA3 GLY 25 -0.421 -11.033 -26.607 139 H CYS 26 H CYS 26 -2.608 -8.804 -26.719 140 HA CYS 26 HA CYS 26 -0.847 -6.481 -26.731 141 HB2 CYS 26 HB2 CYS 26 -3.834 -6.763 -26.598 142 HB3 CYS 26 HB3 CYS 26 -2.989 -5.219 -26.518 143 H ASN 27 H ASN 27 -0.645 -5.128 -24.999 144 HA ASN 27 HA ASN 27 -1.846 -6.027 -22.474 145 HB2 ASN 27 HB2 ASN 27 0.916 -4.844 -22.867 146 HB3 ASN 27 HB3 ASN 27 0.161 -5.111 -21.301 147 HD21 ASN 27 HD21 ASN 27 -0.180 -7.249 -20.595 148 HD22 ASN 27 HD22 ASN 27 0.717 -8.565 -21.265 149 H CYS 28 H CYS 28 -2.170 -3.923 -24.773 150 HA CYS 28 HA CYS 28 -2.445 -1.571 -23.076 151 HB2 CYS 28 HB2 CYS 28 -2.778 -0.342 -25.215 152 HB3 CYS 28 HB3 CYS 28 -1.227 -1.162 -25.134 153 H LYS 29 H LYS 29 -4.476 -0.221 -24.145 154 HA LYS 29 HA LYS 29 -6.752 -1.992 -23.626 155 HB2 LYS 29 HB2 LYS 29 -6.714 1.023 -23.685 156 HB3 LYS 29 HB3 LYS 29 -8.015 0.004 -23.097 157 HG2 LYS 29 HG2 LYS 29 -5.291 0.369 -21.844 158 HG3 LYS 29 HG3 LYS 29 -6.829 0.972 -21.229 159 HD2 LYS 29 HD2 LYS 29 -6.192 -1.954 -21.597 160 HD3 LYS 29 HD3 LYS 29 -5.963 -1.084 -20.081 161 HE2 LYS 29 HE2 LYS 29 -8.603 -1.085 -21.490 162 HE3 LYS 29 HE3 LYS 29 -8.143 -2.418 -20.431 163 HZ1 LYS 29 HZ1 LYS 29 -9.463 -0.694 -19.318 164 HZ2 LYS 29 HZ2 LYS 29 -8.235 0.438 -19.589 165 HZ3 LYS 29 HZ3 LYS 29 -7.952 -0.906 -18.612 166 H GLU 30 H GLU 30 -8.712 -1.643 -24.940 167 HA GLU 30 HA GLU 30 -8.112 -1.924 -27.671 168 HB2 GLU 30 HB2 GLU 30 -10.459 -2.122 -28.064 169 HB3 GLU 30 HB3 GLU 30 -10.120 -2.887 -26.521 170 HG2 GLU 30 HG2 GLU 30 -11.171 -0.080 -26.770 171 HG3 GLU 30 HG3 GLU 30 -12.212 -1.491 -26.631 172 H ASP 31 H ASP 31 -9.112 0.828 -25.784 173 HA ASP 31 HA ASP 31 -9.979 2.570 -27.775 174 HB2 ASP 31 HB2 ASP 31 -10.117 2.939 -25.281 175 HB3 ASP 31 HB3 ASP 31 -8.420 3.382 -25.335 176 H CYS 32 H CYS 32 -6.783 1.481 -27.111 177 HA CYS 32 HA CYS 32 -5.246 3.597 -28.077 178 HB2 CYS 32 HB2 CYS 32 -4.227 1.745 -26.920 179 HB3 CYS 32 HB3 CYS 32 -4.741 0.626 -28.178 180 H ARG 33 H ARG 33 -6.295 0.684 -29.848 181 HA ARG 33 HA ARG 33 -6.841 0.323 -32.027 182 HB2 ARG 33 HB2 ARG 33 -7.085 3.327 -32.074 183 HB3 ARG 33 HB3 ARG 33 -7.547 2.276 -33.402 184 HG2 ARG 33 HG2 ARG 33 -8.729 2.169 -30.640 185 HG3 ARG 33 HG3 ARG 33 -9.446 3.004 -32.020 186 HD2 ARG 33 HD2 ARG 33 -10.540 0.972 -32.020 187 HD3 ARG 33 HD3 ARG 33 -9.263 0.734 -33.207 188 HE ARG 33 HE ARG 33 -8.482 -0.109 -30.596 189 HH11 ARG 33 HH11 ARG 33 -10.376 -1.057 -33.394 190 HH12 ARG 33 HH12 ARG 33 -10.215 -2.755 -33.093 191 HH21 ARG 33 HH21 ARG 33 -8.272 -2.396 -30.195 192 HH22 ARG 33 HH22 ARG 33 -9.027 -3.508 -31.277 193 H CYS 34 H CYS 34 -4.100 0.499 -31.318 194 HA CYS 34 HA CYS 34 -2.653 1.982 -33.276 195 HB2 CYS 34 HB2 CYS 34 -1.795 1.108 -31.028 196 HB3 CYS 34 HB3 CYS 34 -1.706 -0.471 -31.806 197 H GLN 35 H GLN 35 -2.376 1.520 -35.376 198 HA GLN 35 HA GLN 35 -3.577 -0.535 -36.787 199 HB2 GLN 35 HB2 GLN 35 -1.038 0.974 -37.437 200 HB3 GLN 35 HB3 GLN 35 -1.796 -0.132 -38.560 201 HG2 GLN 35 HG2 GLN 35 -3.248 2.238 -37.425 202 HG3 GLN 35 HG3 GLN 35 -2.238 2.351 -38.863 203 HE21 GLN 35 HE21 GLN 35 -5.173 1.167 -37.515 204 HE22 GLN 35 HE22 GLN 35 -5.920 0.702 -39.009 205 H SER 36 H SER 36 -0.452 -0.500 -35.249 206 HA SER 36 HA SER 36 0.784 -2.692 -36.349 207 HB2 SER 36 HB2 SER 36 0.986 -1.865 -33.461 208 HB3 SER 36 HB3 SER 36 2.216 -2.659 -34.446 209 HG SER 36 HG SER 36 1.494 -0.000 -34.302 210 H CYS 37 H CYS 37 -1.391 -2.626 -33.540 211 HA CYS 37 HA CYS 37 -1.523 -5.564 -33.669 212 HB2 CYS 37 HB2 CYS 37 -1.933 -5.255 -31.093 213 HB3 CYS 37 HB3 CYS 37 -0.296 -5.278 -31.741 214 H LYS 38 H LYS 38 -3.257 -3.466 -34.796 215 HA LYS 38 HA LYS 38 -5.617 -3.431 -33.160 216 HB2 LYS 38 HB2 LYS 38 -4.860 -1.558 -34.687 217 HB3 LYS 38 HB3 LYS 38 -5.334 -2.566 -36.044 218 HG2 LYS 38 HG2 LYS 38 -7.344 -2.059 -33.933 219 HG3 LYS 38 HG3 LYS 38 -6.925 -0.733 -35.022 220 HD2 LYS 38 HD2 LYS 38 -7.552 -3.443 -36.087 221 HD3 LYS 38 HD3 LYS 38 -8.846 -2.328 -35.650 222 HE2 LYS 38 HE2 LYS 38 -6.602 -1.544 -37.491 223 HE3 LYS 38 HE3 LYS 38 -8.076 -2.313 -38.074 224 HZ1 LYS 38 HZ1 LYS 38 -9.347 -0.491 -37.094 225 HZ2 LYS 38 HZ2 LYS 38 -8.258 0.060 -38.250 226 HZ3 LYS 38 HZ3 LYS 38 -7.918 0.270 -36.612 227 H TYR 39 H TYR 39 -4.730 -4.843 -36.290 228 HA TYR 39 HA TYR 39 -6.393 -7.171 -35.731 229 HB2 TYR 39 HB2 TYR 39 -6.677 -5.414 -38.164 230 HB3 TYR 39 HB3 TYR 39 -7.094 -7.125 -38.227 231 HD1 TYR 39 HD1 TYR 39 -8.658 -4.254 -38.378 232 HD2 TYR 39 HD2 TYR 39 -8.491 -7.516 -35.658 233 HE1 TYR 39 HE1 TYR 39 -10.914 -3.698 -37.589 234 HE2 TYR 39 HE2 TYR 39 -10.753 -6.964 -34.857 235 HH TYR 39 HH TYR 39 -12.281 -5.110 -34.783 236 H GLY 40 H GLY 40 -5.955 -8.808 -37.606 237 HA2 GLY 40 HA2 GLY 40 -3.114 -9.133 -37.752 238 HA3 GLY 40 HA3 GLY 40 -4.328 -10.183 -38.480 239 H ALA 41 H ALA 41 -1.921 -7.971 -39.092 240 HA ALA 41 HA ALA 41 -1.087 -6.995 -40.943 241 HB1 ALA 41 HB1 ALA 41 -1.698 -7.826 -43.136 242 HB2 ALA 41 HB2 ALA 41 -3.143 -8.589 -42.470 243 HB3 ALA 41 HB3 ALA 41 -1.545 -9.165 -41.997 244 H GLY 42 H GLY 42 -3.874 -6.174 -39.657 245 HA2 GLY 42 HA2 GLY 42 -4.961 -4.115 -39.739 246 HA3 GLY 42 HA3 GLY 42 -4.054 -3.730 -41.193 247 H CYS 43 H CYS 43 -5.770 -6.713 -41.044 248 HA CYS 43 HA CYS 43 -7.440 -5.917 -43.248 249 HB2 CYS 43 HB2 CYS 43 -7.342 -8.498 -41.703 250 HB3 CYS 43 HB3 CYS 43 -8.159 -8.242 -43.244 251 H THR 44 H THR 44 -9.758 -7.046 -43.033 252 HA THR 44 HA THR 44 -11.038 -5.780 -40.727 253 HB THR 44 HB THR 44 -13.110 -6.102 -42.221 254 HG1 THR 44 HG1 THR 44 -12.620 -6.333 -44.452 255 HG21 THR 44 HG21 THR 44 -12.065 -3.917 -41.846 256 HG22 THR 44 HG22 THR 44 -12.617 -4.068 -43.514 257 HG23 THR 44 HG23 THR 44 -10.904 -4.246 -43.131 258 H ASP 45 H ASP 45 -12.938 -6.945 -39.846 259 HA ASP 45 HA ASP 45 -12.388 -9.656 -39.278 260 HB2 ASP 45 HB2 ASP 45 -14.855 -7.968 -38.879 261 HB3 ASP 45 HB3 ASP 45 -14.810 -9.667 -38.428 262 H VAL 46 H VAL 46 -14.020 -8.102 -41.836 263 HA VAL 46 HA VAL 46 -15.714 -10.163 -42.716 264 HB VAL 46 HB VAL 46 -14.352 -8.156 -44.519 265 HG11 VAL 46 HG11 VAL 46 -17.070 -9.453 -44.650 266 HG12 VAL 46 HG12 VAL 46 -15.671 -9.916 -45.613 267 HG13 VAL 46 HG13 VAL 46 -16.399 -8.322 -45.822 268 HG21 VAL 46 HG21 VAL 46 -15.226 -6.942 -42.606 269 HG22 VAL 46 HG22 VAL 46 -16.783 -7.749 -42.777 270 HG23 VAL 46 HG23 VAL 46 -16.227 -6.633 -44.023 271 H CYS 47 H CYS 47 -12.306 -9.634 -42.994 272 HA CYS 47 HA CYS 47 -11.877 -11.613 -45.056 273 HB2 CYS 47 HB2 CYS 47 -10.453 -9.595 -44.861 274 HB3 CYS 47 HB3 CYS 47 -9.932 -10.122 -43.273 275 H LYS 48 H LYS 48 -12.054 -11.457 -41.612 276 HA LYS 48 HA LYS 48 -10.641 -14.000 -41.256 277 HB2 LYS 48 HB2 LYS 48 -11.770 -12.216 -39.106 278 HB3 LYS 48 HB3 LYS 48 -10.554 -13.471 -38.935 279 HG2 LYS 48 HG2 LYS 48 -10.177 -10.907 -40.466 280 HG3 LYS 48 HG3 LYS 48 -9.632 -11.192 -38.816 281 HD2 LYS 48 HD2 LYS 48 -8.186 -12.999 -39.598 282 HD3 LYS 48 HD3 LYS 48 -8.759 -12.746 -41.250 283 HE2 LYS 48 HE2 LYS 48 -7.831 -10.503 -41.266 284 HE3 LYS 48 HE3 LYS 48 -7.327 -10.656 -39.587 285 HZ1 LYS 48 HZ1 LYS 48 -6.316 -12.287 -41.857 286 HZ2 LYS 48 HZ2 LYS 48 -5.817 -12.429 -40.252 287 HZ3 LYS 48 HZ3 LYS 48 -5.486 -11.018 -41.117 288 H GLN 49 H GLN 49 -13.711 -13.031 -41.916 289 HA GLN 49 HA GLN 49 -15.442 -14.112 -40.086 290 HB2 GLN 49 HB2 GLN 49 -15.716 -14.148 -43.084 291 HB3 GLN 49 HB3 GLN 49 -17.029 -14.488 -41.965 292 HG2 GLN 49 HG2 GLN 49 -16.878 -12.261 -41.060 293 HG3 GLN 49 HG3 GLN 49 -15.488 -11.920 -42.087 294 HE21 GLN 49 HE21 GLN 49 -18.037 -10.565 -41.924 295 HE22 GLN 49 HE22 GLN 49 -18.736 -10.635 -43.508 296 H THR 50 H THR 50 -14.070 -15.827 -42.780 297 HA THR 50 HA THR 50 -13.640 -17.984 -43.201 298 HB THR 50 HB THR 50 -14.090 -18.334 -40.264 299 HG1 THR 50 HG1 THR 50 -12.420 -16.901 -40.516 300 HG21 THR 50 HG21 THR 50 -14.145 -20.444 -41.520 301 HG22 THR 50 HG22 THR 50 -12.690 -20.355 -40.521 302 HG23 THR 50 HG23 THR 50 -12.594 -20.047 -42.257 303 HA PRO 51 HA PRO 51 -14.224 -18.818 -44.881 304 HB2 PRO 51 HB2 PRO 51 -15.936 -18.492 -46.952 305 HB3 PRO 51 HB3 PRO 51 -15.590 -20.071 -46.233 306 HG2 PRO 51 HG2 PRO 51 -17.932 -18.262 -45.774 307 HG3 PRO 51 HG3 PRO 51 -17.902 -20.021 -45.997 308 HD2 PRO 51 HD2 PRO 51 -18.077 -18.820 -43.550 309 HD3 PRO 51 HD3 PRO 51 -17.318 -20.410 -43.798 310 H CYS 52 H CYS 52 -13.515 -17.098 -46.277 311 HA CYS 52 HA CYS 52 -13.966 -14.532 -45.160 312 HB2 CYS 52 HB2 CYS 52 -11.793 -15.191 -46.161 313 HB3 CYS 52 HB3 CYS 52 -12.565 -15.244 -47.739 314 H GLY 53 H GLY 53 -15.290 -12.944 -45.717 315 HA2 GLY 53 HA2 GLY 53 -16.811 -13.237 -48.230 316 HA3 GLY 53 HA3 GLY 53 -17.525 -12.629 -46.741 317 H CYS 54 H CYS 54 -14.295 -11.781 -47.420 318 HA CYS 54 HA CYS 54 -14.833 -9.034 -47.302 319 HB2 CYS 54 HB2 CYS 54 -12.663 -10.303 -46.782 320 HB3 CYS 54 HB3 CYS 54 -12.351 -10.207 -48.511 321 H ALA 55 H ALA 55 -14.175 -11.186 -50.046 322 HA ALA 55 HA ALA 55 -14.239 -9.156 -52.025 323 HB1 ALA 55 HB1 ALA 55 -14.785 -12.115 -52.257 324 HB2 ALA 55 HB2 ALA 55 -13.243 -11.298 -52.512 325 HB3 ALA 55 HB3 ALA 55 -14.581 -11.016 -53.620 326 H THR 56 H THR 56 -16.666 -10.752 -50.233 327 HA THR 56 HA THR 56 -18.825 -10.318 -52.054 328 HB THR 56 HB THR 56 -18.884 -10.935 -49.096 329 HG1 THR 56 HG1 THR 56 -19.185 -12.809 -51.209 330 HG21 THR 56 HG21 THR 56 -21.126 -11.848 -49.602 331 HG22 THR 56 HG22 THR 56 -20.975 -11.246 -51.256 332 HG23 THR 56 HG23 THR 56 -21.010 -10.113 -49.900 333 H SER 57 H SER 57 -17.981 -8.956 -48.859 334 HA SER 57 HA SER 57 -19.963 -6.893 -49.137 335 HB2 SER 57 HB2 SER 57 -17.852 -7.248 -47.014 336 HB3 SER 57 HB3 SER 57 -19.290 -6.229 -46.909 337 HG SER 57 HG SER 57 -20.452 -8.306 -47.324 338 H GLY 58 H GLY 58 -16.398 -6.949 -49.008 339 HA2 GLY 58 HA2 GLY 58 -15.905 -5.004 -50.862 340 HA3 GLY 58 HA3 GLY 58 -16.171 -4.119 -49.365 341 H CYS 59 H CYS 59 -13.780 -4.967 -51.193 342 HA CYS 59 HA CYS 59 -12.081 -6.354 -49.310 343 HB2 CYS 59 HB2 CYS 59 -12.146 -6.562 -51.909 344 HB3 CYS 59 HB3 CYS 59 -11.172 -5.098 -51.884 345 H ASN 60 H ASN 60 -11.190 -5.223 -47.674 346 HA ASN 60 HA ASN 60 -10.515 -2.399 -48.185 347 HB2 ASN 60 HB2 ASN 60 -12.288 -2.800 -46.461 348 HB3 ASN 60 HB3 ASN 60 -11.086 -3.631 -45.482 349 HD21 ASN 60 HD21 ASN 60 -11.324 -2.126 -43.802 350 HD22 ASN 60 HD22 ASN 60 -10.679 -0.528 -43.909 351 H CYS 61 H CYS 61 -9.021 -5.321 -47.899 352 HA CYS 61 HA CYS 61 -6.689 -4.135 -46.583 353 HB2 CYS 61 HB2 CYS 61 -5.814 -6.486 -46.493 354 HB3 CYS 61 HB3 CYS 61 -7.282 -6.217 -45.564 355 H THR 62 H THR 62 -4.568 -5.330 -47.617 356 HA THR 62 HA THR 62 -4.548 -4.234 -50.290 357 HB THR 62 HB THR 62 -2.035 -4.725 -50.071 358 HG1 THR 62 HG1 THR 62 -1.649 -4.683 -47.592 359 HG21 THR 62 HG21 THR 62 -1.691 -2.724 -48.678 360 HG22 THR 62 HG22 THR 62 -3.369 -2.811 -48.149 361 HG23 THR 62 HG23 THR 62 -2.995 -2.486 -49.841 362 H ASP 63 H ASP 63 -3.452 -5.366 -52.033 363 HA ASP 63 HA ASP 63 -4.541 -7.988 -52.357 364 HB2 ASP 63 HB2 ASP 63 -4.329 -6.226 -54.152 365 HB3 ASP 63 HB3 ASP 63 -2.603 -6.573 -54.183 366 H ASP 64 H ASP 64 -1.778 -6.883 -50.965 367 HA ASP 64 HA ASP 64 0.044 -8.980 -51.621 368 HB2 ASP 64 HB2 ASP 64 0.927 -6.884 -50.878 369 HB3 ASP 64 HB3 ASP 64 -0.024 -6.926 -49.399 370 H CYS 65 H CYS 65 -2.748 -8.876 -49.797 371 HA CYS 65 HA CYS 65 -2.138 -10.506 -47.587 372 HB2 CYS 65 HB2 CYS 65 -4.240 -9.093 -47.991 373 HB3 CYS 65 HB3 CYS 65 -4.795 -10.431 -48.997 374 H LYS 66 H LYS 66 -2.265 -12.688 -47.285 375 HA LYS 66 HA LYS 66 -2.008 -14.344 -49.652 376 HB2 LYS 66 HB2 LYS 66 -1.792 -14.926 -46.715 377 HB3 LYS 66 HB3 LYS 66 -1.639 -16.156 -47.956 378 HG2 LYS 66 HG2 LYS 66 0.251 -14.825 -48.898 379 HG3 LYS 66 HG3 LYS 66 0.161 -13.818 -47.448 380 HD2 LYS 66 HD2 LYS 66 0.500 -16.806 -47.434 381 HD3 LYS 66 HD3 LYS 66 1.824 -15.652 -47.298 382 HE2 LYS 66 HE2 LYS 66 -0.519 -15.803 -45.408 383 HE3 LYS 66 HE3 LYS 66 1.040 -16.564 -45.119 384 HZ1 LYS 66 HZ1 LYS 66 0.558 -13.651 -45.434 385 HZ2 LYS 66 HZ2 LYS 66 2.069 -14.364 -45.205 386 HZ3 LYS 66 HZ3 LYS 66 0.905 -14.457 -43.991 387 H CYS 67 H CYS 67 -4.553 -13.323 -49.528 388 HA CYS 67 HA CYS 67 -5.991 -15.698 -48.661 389 HB2 CYS 67 HB2 CYS 67 -6.393 -13.541 -47.339 390 HB3 CYS 67 HB3 CYS 67 -7.314 -13.023 -48.753 391 H GLN 68 H GLN 68 -6.174 -16.785 -50.508 392 HA GLN 68 HA GLN 68 -6.716 -15.531 -53.012 393 HB2 GLN 68 HB2 GLN 68 -7.115 -18.458 -52.392 394 HB3 GLN 68 HB3 GLN 68 -6.772 -17.725 -53.950 395 HG2 GLN 68 HG2 GLN 68 -4.687 -18.458 -53.513 396 HG3 GLN 68 HG3 GLN 68 -4.582 -16.954 -52.601 397 HE21 GLN 68 HE21 GLN 68 -4.887 -20.386 -52.424 398 HE22 GLN 68 HE22 GLN 68 -4.562 -20.544 -50.730 399 H SER 69 H SER 69 -8.667 -15.738 -50.473 400 HA SER 69 HA SER 69 -11.075 -16.567 -51.839 401 HB2 SER 69 HB2 SER 69 -10.743 -15.403 -49.069 402 HB3 SER 69 HB3 SER 69 -12.167 -16.227 -49.706 403 HG SER 69 HG SER 69 -10.125 -17.856 -50.067 404 H CYS 70 H CYS 70 -9.456 -13.588 -50.825 405 HA CYS 70 HA CYS 70 -11.635 -12.117 -52.127 406 HB2 CYS 70 HB2 CYS 70 -11.274 -10.243 -50.625 407 HB3 CYS 70 HB3 CYS 70 -11.615 -11.706 -49.708 408 H SER 71 H SER 71 -8.142 -12.187 -51.522 409 HA SER 71 HA SER 71 -7.416 -9.944 -52.979 410 HB2 SER 71 HB2 SER 71 -5.832 -12.507 -52.714 411 HB3 SER 71 HB3 SER 71 -5.187 -10.898 -53.045 412 HG SER 71 HG SER 71 -6.481 -10.495 -50.902 413 H THR 72 H THR 72 -6.555 -9.711 -55.107 414 HA THR 72 HA THR 72 -8.220 -10.857 -57.042 415 HB THR 72 HB THR 72 -6.746 -9.762 -58.712 416 HG1 THR 72 HG1 THR 72 -5.212 -9.115 -56.387 417 HG21 THR 72 HG21 THR 72 -7.165 -7.478 -57.986 418 HG22 THR 72 HG22 THR 72 -7.385 -8.027 -56.325 419 HG23 THR 72 HG23 THR 72 -8.537 -8.505 -57.571 420 H ALA 73 H ALA 73 -8.086 -12.589 -58.247 421 HA ALA 73 HA ALA 73 -6.018 -14.511 -57.674 422 HB1 ALA 73 HB1 ALA 73 -7.418 -16.043 -58.973 423 HB2 ALA 73 HB2 ALA 73 -8.466 -14.701 -59.418 424 HB3 ALA 73 HB3 ALA 73 -8.347 -15.204 -57.733 425 H CYS 74 H CYS 74 -4.896 -15.674 -59.327 426 HA CYS 74 HA CYS 74 -3.652 -14.022 -61.266 427 HB2 CYS 74 HB2 CYS 74 -2.651 -16.046 -60.070 428 HB3 CYS 74 HB3 CYS 74 -3.609 -17.034 -61.160 429 H LYS 75 H LYS 75 -3.765 -14.204 -63.545 430 HA LYS 75 HA LYS 75 -6.379 -15.144 -64.471 431 HB2 LYS 75 HB2 LYS 75 -4.405 -13.236 -65.723 432 HB3 LYS 75 HB3 LYS 75 -5.905 -13.746 -66.485 433 HG2 LYS 75 HG2 LYS 75 -5.776 -12.365 -63.823 434 HG3 LYS 75 HG3 LYS 75 -5.986 -11.527 -65.361 435 HD2 LYS 75 HD2 LYS 75 -8.063 -12.668 -65.765 436 HD3 LYS 75 HD3 LYS 75 -7.820 -13.703 -64.354 437 HE2 LYS 75 HE2 LYS 75 -9.413 -11.866 -63.924 438 HE3 LYS 75 HE3 LYS 75 -7.997 -11.804 -62.876 439 HZ1 LYS 75 HZ1 LYS 75 -8.450 -10.152 -65.302 440 HZ2 LYS 75 HZ2 LYS 75 -7.056 -10.110 -64.357 441 HZ3 LYS 75 HZ3 LYS 75 -8.531 -9.614 -63.700 442 H CYS 76 H CYS 76 -3.400 -16.334 -64.245 443 HA CYS 76 HA CYS 76 -3.087 -17.404 -66.881 444 HB2 CYS 76 HB2 CYS 76 -1.701 -17.991 -64.270 445 HB3 CYS 76 HB3 CYS 76 -1.239 -18.692 -65.821 446 H ALA 77 H ALA 77 -2.598 -19.934 -66.876 447 HA ALA 77 HA ALA 77 -4.544 -21.450 -65.351 448 HB1 ALA 77 HB1 ALA 77 -5.761 -22.264 -67.263 449 HB2 ALA 77 HB2 ALA 77 -4.761 -21.298 -68.340 450 HB3 ALA 77 HB3 ALA 77 -5.869 -20.500 -67.215 451 H ALA 78 H ALA 78 -4.591 -23.778 -66.400 452 HA ALA 78 HA ALA 78 -2.024 -24.861 -66.170 453 HB1 ALA 78 HB1 ALA 78 -4.066 -26.130 -65.704 454 HB2 ALA 78 HB2 ALA 78 -3.042 -26.964 -66.874 455 HB3 ALA 78 HB3 ALA 78 -4.477 -26.098 -67.419 456 H GLY 79 H GLY 79 -0.550 -24.105 -67.543 457 HA2 GLY 79 HA2 GLY 79 0.702 -24.555 -69.505 458 HA3 GLY 79 HA3 GLY 79 -0.796 -24.955 -70.333 459 H SER 80 H SER 80 -0.854 -22.124 -68.423 460 HA SER 80 HA SER 80 -0.128 -20.411 -70.661 461 HB2 SER 80 HB2 SER 80 -2.535 -20.839 -70.959 462 HB3 SER 80 HB3 SER 80 -2.840 -20.286 -69.314 463 HG SER 80 HG SER 80 -1.976 -18.796 -71.558 464 H CYS 81 H CYS 81 1.483 -19.385 -69.619 465 HA CYS 81 HA CYS 81 0.742 -17.841 -67.224 466 HB2 CYS 81 HB2 CYS 81 2.355 -19.615 -66.627 467 HB3 CYS 81 HB3 CYS 81 3.448 -19.054 -67.883 468 H LYS 82 H LYS 82 0.271 -15.928 -68.234 469 HA LYS 82 HA LYS 82 2.138 -14.958 -70.257 470 HB2 LYS 82 HB2 LYS 82 0.476 -13.206 -70.755 471 HB3 LYS 82 HB3 LYS 82 -0.139 -14.834 -70.964 472 HG2 LYS 82 HG2 LYS 82 -0.621 -13.541 -68.349 473 HG3 LYS 82 HG3 LYS 82 -1.495 -12.910 -69.740 474 HD2 LYS 82 HD2 LYS 82 -1.444 -15.809 -68.933 475 HD3 LYS 82 HD3 LYS 82 -2.722 -14.676 -68.496 476 HE2 LYS 82 HE2 LYS 82 -3.171 -14.294 -70.887 477 HE3 LYS 82 HE3 LYS 82 -1.920 -15.464 -71.298 478 HZ1 LYS 82 HZ1 LYS 82 -4.148 -16.414 -71.379 479 HZ2 LYS 82 HZ2 LYS 82 -4.377 -16.067 -69.745 480 HZ3 LYS 82 HZ3 LYS 82 -3.199 -17.191 -70.215 481 H CYS 83 H CYS 83 1.124 -14.249 -66.995 482 HA CYS 83 HA CYS 83 2.206 -11.636 -66.892 483 HB2 CYS 83 HB2 CYS 83 2.123 -11.915 -64.451 484 HB3 CYS 83 HB3 CYS 83 0.626 -12.454 -65.206 485 H GLY 84 H GLY 84 3.556 -14.807 -66.750 486 HA2 GLY 84 HA2 GLY 84 5.747 -15.460 -67.009 487 HA3 GLY 84 HA3 GLY 84 6.205 -13.764 -67.068 488 H LYS 85 H LYS 85 4.409 -15.302 -64.472 489 HA LYS 85 HA LYS 85 6.665 -14.667 -62.711 490 HB2 LYS 85 HB2 LYS 85 3.741 -15.028 -62.056 491 HB3 LYS 85 HB3 LYS 85 5.000 -14.677 -60.881 492 HG2 LYS 85 HG2 LYS 85 4.168 -12.901 -63.173 493 HG3 LYS 85 HG3 LYS 85 3.776 -12.661 -61.471 494 HD2 LYS 85 HD2 LYS 85 6.585 -12.717 -62.593 495 HD3 LYS 85 HD3 LYS 85 5.666 -11.250 -62.262 496 HE2 LYS 85 HE2 LYS 85 5.522 -11.853 -59.902 497 HE3 LYS 85 HE3 LYS 85 6.399 -13.348 -60.217 498 HZ1 LYS 85 HZ1 LYS 85 7.489 -10.620 -60.654 499 HZ2 LYS 85 HZ2 LYS 85 8.328 -12.075 -60.834 500 HZ3 LYS 85 HZ3 LYS 85 7.809 -11.584 -59.308 501 H GLY 86 H GLY 86 5.273 -17.249 -64.225 502 HA2 GLY 86 HA2 GLY 86 6.076 -19.447 -64.067 503 HA3 GLY 86 HA3 GLY 86 6.732 -19.071 -62.482 504 H CYS 87 H CYS 87 3.453 -18.266 -63.255 505 HA CYS 87 HA CYS 87 2.556 -20.497 -61.581 506 HB2 CYS 87 HB2 CYS 87 0.594 -18.853 -61.115 507 HB3 CYS 87 HB3 CYS 87 2.112 -18.635 -60.256 508 H THR 88 H THR 88 0.775 -21.626 -62.249 509 HA THR 88 HA THR 88 -0.331 -20.832 -64.840 510 HB THR 88 HB THR 88 -0.715 -23.386 -65.128 511 HG1 THR 88 HG1 THR 88 1.508 -23.382 -63.341 512 HG21 THR 88 HG21 THR 88 2.060 -22.203 -65.328 513 HG22 THR 88 HG22 THR 88 0.784 -22.045 -66.536 514 HG23 THR 88 HG23 THR 88 1.482 -23.628 -66.192 515 H GLY 89 H GLY 89 -1.744 -19.732 -63.169 516 HA2 GLY 89 HA2 GLY 89 -4.188 -19.901 -63.061 517 HA3 GLY 89 HA3 GLY 89 -3.968 -21.551 -62.500 518 HA PRO 90 HA PRO 90 -4.070 -18.147 -59.048 519 HB2 PRO 90 HB2 PRO 90 -6.574 -18.802 -58.109 520 HB3 PRO 90 HB3 PRO 90 -6.230 -17.460 -59.212 521 HG2 PRO 90 HG2 PRO 90 -7.211 -20.216 -59.816 522 HG3 PRO 90 HG3 PRO 90 -7.744 -18.668 -60.504 523 HD2 PRO 90 HD2 PRO 90 -6.112 -20.291 -61.854 524 HD3 PRO 90 HD3 PRO 90 -5.890 -18.529 -61.906 525 H ASP 91 H ASP 91 -5.275 -21.446 -59.250 526 HA ASP 91 HA ASP 91 -4.928 -22.019 -56.484 527 HB2 ASP 91 HB2 ASP 91 -5.221 -23.851 -58.863 528 HB3 ASP 91 HB3 ASP 91 -5.228 -24.393 -57.187 529 H SER 92 H SER 92 -2.831 -21.854 -59.153 530 HA SER 92 HA SER 92 -0.747 -23.338 -57.729 531 HB2 SER 92 HB2 SER 92 -0.817 -22.385 -60.597 532 HB3 SER 92 HB3 SER 92 0.421 -23.401 -59.860 533 HG SER 92 HG SER 92 -1.634 -24.742 -59.339 534 H CYS 93 H CYS 93 -1.854 -20.221 -58.296 535 HA CYS 93 HA CYS 93 0.592 -18.837 -58.578 536 HB2 CYS 93 HB2 CYS 93 -1.531 -17.817 -59.229 537 HB3 CYS 93 HB3 CYS 93 -2.078 -17.854 -57.557 538 H LYS 94 H LYS 94 1.946 -18.049 -57.142 539 HA LYS 94 HA LYS 94 1.369 -18.448 -54.289 540 HB2 LYS 94 HB2 LYS 94 3.780 -18.997 -54.015 541 HB3 LYS 94 HB3 LYS 94 2.905 -20.175 -54.986 542 HG2 LYS 94 HG2 LYS 94 3.768 -19.038 -57.023 543 HG3 LYS 94 HG3 LYS 94 4.754 -18.019 -55.974 544 HD2 LYS 94 HD2 LYS 94 5.865 -20.011 -55.093 545 HD3 LYS 94 HD3 LYS 94 4.878 -21.025 -56.148 546 HE2 LYS 94 HE2 LYS 94 5.817 -19.856 -58.097 547 HE3 LYS 94 HE3 LYS 94 6.849 -18.923 -57.015 548 HZ1 LYS 94 HZ1 LYS 94 8.012 -20.811 -57.986 549 HZ2 LYS 94 HZ2 LYS 94 6.900 -21.876 -57.298 550 HZ3 LYS 94 HZ3 LYS 94 7.913 -20.955 -56.307 551 H CYS 95 H CYS 95 1.478 -16.218 -56.444 552 HA CYS 95 HA CYS 95 3.431 -14.433 -55.245 553 HB2 CYS 95 HB2 CYS 95 1.617 -14.043 -57.630 554 HB3 CYS 95 HB3 CYS 95 2.917 -12.967 -57.129 555 H ASP 96 H ASP 96 2.876 -12.510 -54.270 556 HA ASP 96 HA ASP 96 0.282 -12.490 -53.013 557 HB2 ASP 96 HB2 ASP 96 2.446 -10.384 -52.756 558 HB3 ASP 96 HB3 ASP 96 1.114 -10.694 -51.653 559 H ARG 97 H ARG 97 1.968 -9.667 -54.291 560 HA ARG 97 HA ARG 97 -0.366 -9.066 -55.975 561 HB2 ARG 97 HB2 ARG 97 0.006 -6.650 -55.386 562 HB3 ARG 97 HB3 ARG 97 -0.622 -7.653 -54.086 563 HG2 ARG 97 HG2 ARG 97 1.615 -7.812 -53.130 564 HG3 ARG 97 HG3 ARG 97 2.239 -6.805 -54.436 565 HD2 ARG 97 HD2 ARG 97 0.033 -5.904 -52.609 566 HD3 ARG 97 HD3 ARG 97 1.739 -5.669 -52.240 567 HE ARG 97 HE ARG 97 0.938 -4.693 -54.826 568 HH11 ARG 97 HH11 ARG 97 1.220 -3.922 -51.413 569 HH12 ARG 97 HH12 ARG 97 1.367 -2.223 -51.681 570 HH21 ARG 97 HH21 ARG 97 1.125 -2.427 -55.171 571 HH22 ARG 97 HH22 ARG 97 1.321 -1.374 -53.811 572 H SER 98 H SER 98 2.502 -10.109 -56.294 573 HA SER 98 HA SER 98 3.900 -8.089 -57.734 574 HB2 SER 98 HB2 SER 98 5.315 -10.162 -58.400 575 HB3 SER 98 HB3 SER 98 5.300 -9.644 -56.712 576 HG SER 98 HG SER 98 4.709 -11.622 -56.353 577 H CYS 99 H CYS 99 1.417 -10.262 -58.558 578 HA CYS 99 HA CYS 99 1.966 -10.513 -61.344 579 HB2 CYS 99 HB2 CYS 99 -0.435 -10.944 -59.612 580 HB3 CYS 99 HB3 CYS 99 -0.591 -11.016 -61.352 581 H SER 100 H SER 100 1.323 -9.221 -63.026 582 HA SER 100 HA SER 100 0.170 -6.645 -62.297 583 HB2 SER 100 HB2 SER 100 2.208 -6.731 -63.742 584 HB3 SER 100 HB3 SER 100 1.247 -7.539 -64.978 585 HG SER 100 HG SER 100 0.508 -5.046 -63.881 586 H CYS 101 H CYS 101 -0.787 -9.645 -63.498 587 HA CYS 101 HA CYS 101 -3.005 -8.663 -65.070 588 HB2 CYS 101 HB2 CYS 101 -3.541 -11.099 -65.288 589 HB3 CYS 101 HB3 CYS 101 -1.923 -10.675 -65.837 590 H LYS 102 H LYS 102 -2.460 -8.661 -61.908 591 HA LYS 102 HA LYS 102 -4.540 -9.976 -60.637 592 HB2 LYS 102 HB2 LYS 102 -3.212 -7.356 -59.931 593 HB3 LYS 102 HB3 LYS 102 -4.344 -8.184 -58.876 594 HG2 LYS 102 HG2 LYS 102 -1.585 -9.039 -59.699 595 HG3 LYS 102 HG3 LYS 102 -2.211 -8.745 -58.076 596 HD2 LYS 102 HD2 LYS 102 -3.873 -10.694 -58.803 597 HD3 LYS 102 HD3 LYS 102 -2.505 -11.121 -59.830 598 HE2 LYS 102 HE2 LYS 102 -2.135 -12.334 -57.872 599 HE3 LYS 102 HE3 LYS 102 -1.108 -10.915 -57.674 600 HZ1 LYS 102 HZ1 LYS 102 -2.917 -9.903 -56.340 601 HZ2 LYS 102 HZ2 LYS 102 -2.279 -11.305 -55.649 602 HZ3 LYS 102 HZ3 LYS 102 -3.776 -11.363 -56.450 Start of MODEL 14 1 HA2 GLY 1 HA2 GLY 1 6.357 3.911 -26.093 2 HA3 GLY 1 HA3 GLY 1 6.876 4.570 -24.548 3 H SER 2 H SER 2 6.243 2.708 -22.745 4 HA SER 2 HA SER 2 7.624 0.297 -23.700 5 HB2 SER 2 HB2 SER 2 7.843 1.601 -20.977 6 HB3 SER 2 HB3 SER 2 8.652 0.114 -21.474 7 HG SER 2 HG SER 2 9.320 1.743 -23.311 8 H MET 3 H MET 3 6.056 -1.165 -23.911 9 HA MET 3 HA MET 3 3.925 -1.310 -21.938 10 HB2 MET 3 HB2 MET 3 2.869 -2.907 -23.430 11 HB3 MET 3 HB3 MET 3 3.356 -1.489 -24.340 12 HG2 MET 3 HG2 MET 3 4.905 -4.074 -24.251 13 HG3 MET 3 HG3 MET 3 3.755 -3.641 -25.512 14 HE1 MET 3 HE1 MET 3 5.508 -0.634 -27.275 15 HE2 MET 3 HE2 MET 3 4.300 -0.554 -25.993 16 HE3 MET 3 HE3 MET 3 4.136 -1.742 -27.287 17 H SER 4 H SER 4 3.550 -3.103 -20.638 18 HA SER 4 HA SER 4 5.886 -4.521 -19.849 19 HB2 SER 4 HB2 SER 4 3.015 -4.894 -18.967 20 HB3 SER 4 HB3 SER 4 4.439 -5.558 -18.164 21 HG SER 4 HG SER 4 3.518 -3.497 -17.343 22 H SER 5 H SER 5 6.546 -5.776 -21.559 23 HA SER 5 HA SER 5 4.780 -7.650 -22.794 24 HB2 SER 5 HB2 SER 5 7.781 -7.333 -22.954 25 HB3 SER 5 HB3 SER 5 6.843 -8.466 -23.928 26 HG SER 5 HG SER 5 7.273 -5.862 -24.347 27 H VAL 6 H VAL 6 3.978 -8.844 -21.119 28 HA VAL 6 HA VAL 6 5.857 -10.547 -19.662 29 HB VAL 6 HB VAL 6 3.911 -11.070 -18.203 30 HG11 VAL 6 HG11 VAL 6 4.524 -8.136 -18.542 31 HG12 VAL 6 HG12 VAL 6 5.448 -9.290 -17.581 32 HG13 VAL 6 HG13 VAL 6 3.800 -8.869 -17.112 33 HG21 VAL 6 HG21 VAL 6 2.132 -10.699 -19.833 34 HG22 VAL 6 HG22 VAL 6 2.510 -8.976 -19.863 35 HG23 VAL 6 HG23 VAL 6 1.881 -9.716 -18.390 36 H PHE 7 H PHE 7 4.705 -10.756 -22.479 37 HA PHE 7 HA PHE 7 3.933 -12.306 -23.936 38 HB2 PHE 7 HB2 PHE 7 5.046 -14.244 -21.895 39 HB3 PHE 7 HB3 PHE 7 4.721 -14.581 -23.590 40 HD1 PHE 7 HD1 PHE 7 7.070 -13.255 -21.218 41 HD2 PHE 7 HD2 PHE 7 6.053 -13.400 -25.346 42 HE1 PHE 7 HE1 PHE 7 9.341 -12.512 -21.800 43 HE2 PHE 7 HE2 PHE 7 8.322 -12.661 -25.933 44 HZ PHE 7 HZ PHE 7 9.969 -12.214 -24.159 45 H GLY 8 H GLY 8 1.804 -11.440 -23.033 46 HA2 GLY 8 HA2 GLY 8 -0.027 -13.556 -22.883 47 HA3 GLY 8 HA3 GLY 8 0.239 -12.929 -21.262 48 H ALA 9 H ALA 9 -0.487 -10.879 -20.730 49 HA ALA 9 HA ALA 9 -2.647 -9.925 -22.430 50 HB1 ALA 9 HB1 ALA 9 -1.851 -9.042 -19.661 51 HB2 ALA 9 HB2 ALA 9 -3.056 -10.275 -20.034 52 HB3 ALA 9 HB3 ALA 9 -3.329 -8.600 -20.517 53 H GLY 10 H GLY 10 -0.172 -8.220 -20.523 54 HA2 GLY 10 HA2 GLY 10 0.907 -6.235 -20.860 55 HA3 GLY 10 HA3 GLY 10 1.082 -6.801 -22.514 56 H CYS 11 H CYS 11 -2.023 -6.196 -21.039 57 HA CYS 11 HA CYS 11 -2.764 -4.629 -23.233 58 HB2 CYS 11 HB2 CYS 11 -4.143 -6.031 -21.335 59 HB3 CYS 11 HB3 CYS 11 -4.515 -4.363 -20.908 60 H THR 12 H THR 12 -3.798 -2.455 -23.046 61 HA THR 12 HA THR 12 -2.258 -0.702 -21.261 62 HB THR 12 HB THR 12 -1.130 -0.627 -23.387 63 HG1 THR 12 HG1 THR 12 -1.289 1.404 -22.490 64 HG21 THR 12 HG21 THR 12 -2.838 -1.530 -24.838 65 HG22 THR 12 HG22 THR 12 -2.328 0.039 -25.467 66 HG23 THR 12 HG23 THR 12 -3.852 -0.107 -24.592 67 H ASP 13 H ASP 13 -3.192 1.375 -20.907 68 HA ASP 13 HA ASP 13 -5.969 1.324 -20.440 69 HB2 ASP 13 HB2 ASP 13 -3.888 3.467 -20.290 70 HB3 ASP 13 HB3 ASP 13 -5.588 3.855 -20.036 71 H THR 14 H THR 14 -4.095 2.446 -23.142 72 HA THR 14 HA THR 14 -6.017 4.146 -24.316 73 HB THR 14 HB THR 14 -3.983 2.486 -25.810 74 HG1 THR 14 HG1 THR 14 -3.422 5.090 -24.912 75 HG21 THR 14 HG21 THR 14 -3.958 4.507 -27.284 76 HG22 THR 14 HG22 THR 14 -5.301 5.151 -26.328 77 HG23 THR 14 HG23 THR 14 -5.507 3.665 -27.253 78 H CYS 15 H CYS 15 -5.892 0.774 -23.964 79 HA CYS 15 HA CYS 15 -7.523 0.183 -26.275 80 HB2 CYS 15 HB2 CYS 15 -5.658 -1.274 -25.351 81 HB3 CYS 15 HB3 CYS 15 -6.755 -1.669 -24.038 82 H LYS 16 H LYS 16 -8.050 1.349 -23.215 83 HA LYS 16 HA LYS 16 -10.497 -0.104 -22.630 84 HB2 LYS 16 HB2 LYS 16 -9.439 2.371 -21.268 85 HB3 LYS 16 HB3 LYS 16 -10.583 1.205 -20.624 86 HG2 LYS 16 HG2 LYS 16 -7.706 0.614 -21.266 87 HG3 LYS 16 HG3 LYS 16 -8.322 1.008 -19.658 88 HD2 LYS 16 HD2 LYS 16 -9.287 -1.294 -21.329 89 HD3 LYS 16 HD3 LYS 16 -8.018 -1.424 -20.111 90 HE2 LYS 16 HE2 LYS 16 -9.595 -0.664 -18.396 91 HE3 LYS 16 HE3 LYS 16 -10.862 -0.540 -19.614 92 HZ1 LYS 16 HZ1 LYS 16 -10.660 -2.919 -19.998 93 HZ2 LYS 16 HZ2 LYS 16 -11.037 -2.599 -18.382 94 HZ3 LYS 16 HZ3 LYS 16 -9.466 -3.034 -18.808 95 H GLN 17 H GLN 17 -9.825 2.101 -24.861 96 HA GLN 17 HA GLN 17 -11.965 3.965 -24.277 97 HB2 GLN 17 HB2 GLN 17 -10.265 3.912 -26.759 98 HB3 GLN 17 HB3 GLN 17 -11.180 5.261 -26.101 99 HG2 GLN 17 HG2 GLN 17 -8.642 4.055 -25.084 100 HG3 GLN 17 HG3 GLN 17 -8.894 5.688 -25.685 101 HE21 GLN 17 HE21 GLN 17 -8.953 3.612 -22.995 102 HE22 GLN 17 HE22 GLN 17 -9.402 4.769 -21.806 103 H THR 18 H THR 18 -13.643 4.366 -25.726 104 HA THR 18 HA THR 18 -14.231 2.276 -27.685 105 HB THR 18 HB THR 18 -16.679 2.422 -26.823 106 HG1 THR 18 HG1 THR 18 -16.588 3.945 -25.268 107 HG21 THR 18 HG21 THR 18 -15.353 0.384 -26.716 108 HG22 THR 18 HG22 THR 18 -16.277 0.586 -25.227 109 HG23 THR 18 HG23 THR 18 -14.554 0.960 -25.253 110 HA PRO 19 HA PRO 19 -14.690 2.027 -29.650 111 HB2 PRO 19 HB2 PRO 19 -13.513 3.030 -31.904 112 HB3 PRO 19 HB3 PRO 19 -15.243 2.691 -31.757 113 HG2 PRO 19 HG2 PRO 19 -13.798 5.303 -31.461 114 HG3 PRO 19 HG3 PRO 19 -15.301 4.956 -32.334 115 HD2 PRO 19 HD2 PRO 19 -15.322 6.091 -29.901 116 HD3 PRO 19 HD3 PRO 19 -16.566 4.914 -30.381 117 H CYS 20 H CYS 20 -12.572 1.049 -30.239 118 HA CYS 20 HA CYS 20 -10.539 1.496 -28.439 119 HB2 CYS 20 HB2 CYS 20 -10.765 0.003 -30.982 120 HB3 CYS 20 HB3 CYS 20 -9.130 0.375 -30.466 121 H GLY 21 H GLY 21 -8.577 2.544 -28.405 122 HA2 GLY 21 HA2 GLY 21 -8.175 4.528 -30.552 123 HA3 GLY 21 HA3 GLY 21 -7.807 4.832 -28.862 124 H CYS 22 H CYS 22 -7.000 1.677 -29.795 125 HA CYS 22 HA CYS 22 -4.267 1.961 -29.290 126 HB2 CYS 22 HB2 CYS 22 -5.739 -0.156 -30.847 127 HB3 CYS 22 HB3 CYS 22 -4.026 -0.255 -30.457 128 H GLY 23 H GLY 23 -5.892 1.651 -32.447 129 HA2 GLY 23 HA2 GLY 23 -5.250 2.417 -34.512 130 HA3 GLY 23 HA3 GLY 23 -4.009 3.375 -33.710 131 H SER 24 H SER 24 -2.280 2.911 -34.958 132 HA SER 24 HA SER 24 -1.672 0.131 -35.569 133 HB2 SER 24 HB2 SER 24 -0.232 2.658 -36.395 134 HB3 SER 24 HB3 SER 24 0.037 1.040 -37.046 135 HG SER 24 HG SER 24 -2.079 1.060 -37.851 136 H GLY 25 H GLY 25 -1.335 1.708 -32.868 137 HA2 GLY 25 HA2 GLY 25 1.443 0.814 -32.417 138 HA3 GLY 25 HA3 GLY 25 0.791 2.272 -31.687 139 H CYS 26 H CYS 26 -0.146 -1.166 -31.959 140 HA CYS 26 HA CYS 26 -1.540 -1.275 -29.553 141 HB2 CYS 26 HB2 CYS 26 -0.299 -3.304 -31.325 142 HB3 CYS 26 HB3 CYS 26 -0.832 -3.793 -29.720 143 H ASN 27 H ASN 27 -0.959 -1.290 -27.551 144 HA ASN 27 HA ASN 27 1.800 -1.968 -26.880 145 HB2 ASN 27 HB2 ASN 27 -0.375 -0.533 -25.353 146 HB3 ASN 27 HB3 ASN 27 1.051 -1.162 -24.542 147 HD21 ASN 27 HD21 ASN 27 1.019 0.259 -27.775 148 HD22 ASN 27 HD22 ASN 27 1.949 1.652 -27.356 149 H CYS 28 H CYS 28 -1.447 -3.068 -26.813 150 HA CYS 28 HA CYS 28 -1.099 -4.997 -24.726 151 HB2 CYS 28 HB2 CYS 28 -3.360 -5.732 -25.282 152 HB3 CYS 28 HB3 CYS 28 -3.315 -3.979 -25.170 153 H LYS 29 H LYS 29 -1.424 -7.315 -25.123 154 HA LYS 29 HA LYS 29 0.090 -8.144 -27.469 155 HB2 LYS 29 HB2 LYS 29 -0.876 -9.816 -25.135 156 HB3 LYS 29 HB3 LYS 29 0.264 -10.312 -26.376 157 HG2 LYS 29 HG2 LYS 29 0.717 -8.166 -24.299 158 HG3 LYS 29 HG3 LYS 29 1.415 -9.781 -24.309 159 HD2 LYS 29 HD2 LYS 29 2.669 -9.313 -26.308 160 HD3 LYS 29 HD3 LYS 29 1.840 -7.770 -26.516 161 HE2 LYS 29 HE2 LYS 29 2.809 -6.972 -24.451 162 HE3 LYS 29 HE3 LYS 29 3.633 -8.516 -24.241 163 HZ1 LYS 29 HZ1 LYS 29 4.845 -8.102 -26.300 164 HZ2 LYS 29 HZ2 LYS 29 5.126 -6.853 -25.199 165 HZ3 LYS 29 HZ3 LYS 29 4.059 -6.622 -26.493 166 H GLU 30 H GLU 30 -0.739 -10.334 -28.415 167 HA GLU 30 HA GLU 30 -3.274 -9.626 -29.566 168 HB2 GLU 30 HB2 GLU 30 -2.999 -11.521 -31.051 169 HB3 GLU 30 HB3 GLU 30 -1.510 -10.597 -30.954 170 HG2 GLU 30 HG2 GLU 30 -0.690 -12.280 -29.299 171 HG3 GLU 30 HG3 GLU 30 -2.118 -13.243 -29.679 172 H ASP 31 H ASP 31 -2.496 -11.360 -26.818 173 HA ASP 31 HA ASP 31 -4.502 -13.347 -26.796 174 HB2 ASP 31 HB2 ASP 31 -2.661 -13.344 -25.174 175 HB3 ASP 31 HB3 ASP 31 -3.278 -11.862 -24.462 176 H CYS 32 H CYS 32 -4.645 -9.954 -26.497 177 HA CYS 32 HA CYS 32 -6.937 -9.543 -24.981 178 HB2 CYS 32 HB2 CYS 32 -5.476 -7.718 -25.728 179 HB3 CYS 32 HB3 CYS 32 -5.943 -8.007 -27.397 180 H ARG 33 H ARG 33 -6.543 -10.612 -28.304 181 HA ARG 33 HA ARG 33 -7.983 -11.350 -29.908 182 HB2 ARG 33 HB2 ARG 33 -9.704 -12.016 -27.500 183 HB3 ARG 33 HB3 ARG 33 -9.950 -12.645 -29.117 184 HG2 ARG 33 HG2 ARG 33 -7.384 -13.104 -27.620 185 HG3 ARG 33 HG3 ARG 33 -8.785 -14.151 -27.410 186 HD2 ARG 33 HD2 ARG 33 -8.744 -14.775 -29.728 187 HD3 ARG 33 HD3 ARG 33 -7.510 -13.568 -30.084 188 HE ARG 33 HE ARG 33 -6.492 -15.288 -28.132 189 HH11 ARG 33 HH11 ARG 33 -7.439 -15.406 -31.503 190 HH12 ARG 33 HH12 ARG 33 -6.336 -16.677 -31.903 191 HH21 ARG 33 HH21 ARG 33 -5.025 -16.956 -28.658 192 HH22 ARG 33 HH22 ARG 33 -4.953 -17.561 -30.278 193 H CYS 34 H CYS 34 -8.148 -8.539 -29.165 194 HA CYS 34 HA CYS 34 -10.936 -7.834 -29.194 195 HB2 CYS 34 HB2 CYS 34 -8.493 -6.500 -28.586 196 HB3 CYS 34 HB3 CYS 34 -9.286 -5.606 -29.877 197 H GLN 35 H GLN 35 -12.130 -7.641 -30.913 198 HA GLN 35 HA GLN 35 -11.070 -8.256 -33.477 199 HB2 GLN 35 HB2 GLN 35 -13.841 -7.325 -32.721 200 HB3 GLN 35 HB3 GLN 35 -13.384 -8.121 -34.224 201 HG2 GLN 35 HG2 GLN 35 -13.138 -9.356 -31.486 202 HG3 GLN 35 HG3 GLN 35 -14.463 -9.648 -32.613 203 HE21 GLN 35 HE21 GLN 35 -12.213 -11.342 -31.444 204 HE22 GLN 35 HE22 GLN 35 -11.539 -12.116 -32.831 205 H SER 36 H SER 36 -11.508 -5.349 -31.782 206 HA SER 36 HA SER 36 -11.842 -3.654 -34.057 207 HB2 SER 36 HB2 SER 36 -12.591 -3.063 -31.742 208 HB3 SER 36 HB3 SER 36 -10.899 -2.889 -31.285 209 HG SER 36 HG SER 36 -12.212 -1.435 -33.340 210 H CYS 37 H CYS 37 -9.068 -4.600 -32.021 211 HA CYS 37 HA CYS 37 -7.313 -3.194 -33.913 212 HB2 CYS 37 HB2 CYS 37 -5.577 -3.420 -32.050 213 HB3 CYS 37 HB3 CYS 37 -6.925 -2.337 -31.735 214 H LYS 38 H LYS 38 -8.527 -5.978 -34.137 215 HA LYS 38 HA LYS 38 -6.310 -7.774 -33.904 216 HB2 LYS 38 HB2 LYS 38 -8.888 -8.209 -33.814 217 HB3 LYS 38 HB3 LYS 38 -8.725 -8.348 -35.561 218 HG2 LYS 38 HG2 LYS 38 -6.686 -9.933 -34.611 219 HG3 LYS 38 HG3 LYS 38 -7.995 -10.195 -33.454 220 HD2 LYS 38 HD2 LYS 38 -9.501 -10.543 -35.448 221 HD3 LYS 38 HD3 LYS 38 -8.031 -10.604 -36.422 222 HE2 LYS 38 HE2 LYS 38 -7.219 -12.436 -35.021 223 HE3 LYS 38 HE3 LYS 38 -8.736 -12.368 -34.114 224 HZ1 LYS 38 HZ1 LYS 38 -8.699 -14.109 -35.874 225 HZ2 LYS 38 HZ2 LYS 38 -8.597 -12.889 -37.040 226 HZ3 LYS 38 HZ3 LYS 38 -9.953 -12.994 -36.043 227 H TYR 39 H TYR 39 -6.974 -5.367 -36.094 228 HA TYR 39 HA TYR 39 -6.298 -6.717 -38.513 229 HB2 TYR 39 HB2 TYR 39 -6.008 -4.409 -39.489 230 HB3 TYR 39 HB3 TYR 39 -7.587 -4.735 -38.805 231 HD1 TYR 39 HD1 TYR 39 -4.304 -3.182 -37.889 232 HD2 TYR 39 HD2 TYR 39 -8.530 -3.151 -37.412 233 HE1 TYR 39 HE1 TYR 39 -4.140 -1.094 -36.599 234 HE2 TYR 39 HE2 TYR 39 -8.375 -1.070 -36.116 235 HH TYR 39 HH TYR 39 -6.788 0.196 -34.833 236 H GLY 40 H GLY 40 -4.411 -5.954 -39.898 237 HA2 GLY 40 HA2 GLY 40 -2.048 -6.772 -38.535 238 HA3 GLY 40 HA3 GLY 40 -2.146 -6.238 -40.204 239 H ALA 41 H ALA 41 -2.340 -3.864 -40.515 240 HA ALA 41 HA ALA 41 -0.760 -2.447 -38.477 241 HB1 ALA 41 HB1 ALA 41 -0.745 -2.022 -41.463 242 HB2 ALA 41 HB2 ALA 41 0.520 -2.816 -40.525 243 HB3 ALA 41 HB3 ALA 41 0.188 -1.099 -40.286 244 H GLY 42 H GLY 42 -3.168 -2.056 -41.026 245 HA2 GLY 42 HA2 GLY 42 -5.010 -0.644 -39.553 246 HA3 GLY 42 HA3 GLY 42 -3.918 0.565 -40.210 247 H CYS 43 H CYS 43 -5.944 -2.181 -41.166 248 HA CYS 43 HA CYS 43 -6.065 -1.214 -43.874 249 HB2 CYS 43 HB2 CYS 43 -7.154 -3.589 -42.439 250 HB3 CYS 43 HB3 CYS 43 -7.866 -3.121 -43.984 251 H THR 44 H THR 44 -8.047 -0.734 -44.958 252 HA THR 44 HA THR 44 -9.664 1.053 -43.391 253 HB THR 44 HB THR 44 -10.687 1.554 -45.650 254 HG1 THR 44 HG1 THR 44 -9.677 0.633 -47.450 255 HG21 THR 44 HG21 THR 44 -7.666 1.741 -45.498 256 HG22 THR 44 HG22 THR 44 -8.786 2.859 -44.728 257 HG23 THR 44 HG23 THR 44 -8.724 2.748 -46.486 258 H ASP 45 H ASP 45 -12.048 1.017 -43.598 259 HA ASP 45 HA ASP 45 -13.084 -1.542 -42.933 260 HB2 ASP 45 HB2 ASP 45 -14.495 1.069 -43.508 261 HB3 ASP 45 HB3 ASP 45 -15.312 -0.382 -42.939 262 H VAL 46 H VAL 46 -12.614 0.034 -45.891 263 HA VAL 46 HA VAL 46 -14.693 -1.192 -47.393 264 HB VAL 46 HB VAL 46 -12.041 -0.109 -48.385 265 HG11 VAL 46 HG11 VAL 46 -13.182 -1.510 -50.025 266 HG12 VAL 46 HG12 VAL 46 -13.204 0.183 -50.515 267 HG13 VAL 46 HG13 VAL 46 -14.651 -0.555 -49.829 268 HG21 VAL 46 HG21 VAL 46 -13.287 1.967 -48.832 269 HG22 VAL 46 HG22 VAL 46 -13.230 1.578 -47.112 270 HG23 VAL 46 HG23 VAL 46 -14.699 1.267 -48.038 271 H CYS 47 H CYS 47 -11.495 -2.124 -46.399 272 HA CYS 47 HA CYS 47 -11.281 -4.384 -48.154 273 HB2 CYS 47 HB2 CYS 47 -9.332 -3.112 -47.144 274 HB3 CYS 47 HB3 CYS 47 -9.750 -3.837 -45.599 275 H LYS 48 H LYS 48 -12.850 -3.668 -45.240 276 HA LYS 48 HA LYS 48 -12.918 -6.420 -44.321 277 HB2 LYS 48 HB2 LYS 48 -14.192 -3.970 -43.097 278 HB3 LYS 48 HB3 LYS 48 -13.948 -5.532 -42.325 279 HG2 LYS 48 HG2 LYS 48 -11.787 -3.612 -43.189 280 HG3 LYS 48 HG3 LYS 48 -12.306 -3.931 -41.535 281 HD2 LYS 48 HD2 LYS 48 -11.585 -6.264 -41.766 282 HD3 LYS 48 HD3 LYS 48 -11.078 -5.942 -43.422 283 HE2 LYS 48 HE2 LYS 48 -9.431 -4.327 -42.590 284 HE3 LYS 48 HE3 LYS 48 -9.935 -4.674 -40.936 285 HZ1 LYS 48 HZ1 LYS 48 -9.234 -6.968 -41.234 286 HZ2 LYS 48 HZ2 LYS 48 -7.945 -5.925 -41.540 287 HZ3 LYS 48 HZ3 LYS 48 -8.762 -6.652 -42.826 288 H GLN 49 H GLN 49 -14.392 -5.073 -46.735 289 HA GLN 49 HA GLN 49 -17.167 -5.600 -46.104 290 HB2 GLN 49 HB2 GLN 49 -15.788 -4.854 -48.679 291 HB3 GLN 49 HB3 GLN 49 -17.512 -5.144 -48.553 292 HG2 GLN 49 HG2 GLN 49 -17.619 -3.288 -46.894 293 HG3 GLN 49 HG3 GLN 49 -15.922 -2.968 -47.237 294 HE21 GLN 49 HE21 GLN 49 -16.421 -0.921 -48.011 295 HE22 GLN 49 HE22 GLN 49 -17.141 -0.671 -49.561 296 H THR 50 H THR 50 -18.416 -6.959 -47.694 297 HA THR 50 HA THR 50 -16.992 -9.168 -48.886 298 HB THR 50 HB THR 50 -19.086 -9.651 -46.741 299 HG1 THR 50 HG1 THR 50 -16.473 -9.251 -46.533 300 HG21 THR 50 HG21 THR 50 -18.602 -12.022 -47.102 301 HG22 THR 50 HG22 THR 50 -17.454 -11.602 -48.374 302 HG23 THR 50 HG23 THR 50 -19.171 -11.270 -48.593 303 HA PRO 51 HA PRO 51 -16.886 -9.751 -50.788 304 HB2 PRO 51 HB2 PRO 51 -16.837 -8.622 -53.246 305 HB3 PRO 51 HB3 PRO 51 -17.637 -10.162 -52.919 306 HG2 PRO 51 HG2 PRO 51 -18.825 -7.428 -53.164 307 HG3 PRO 51 HG3 PRO 51 -19.413 -8.964 -53.826 308 HD2 PRO 51 HD2 PRO 51 -20.434 -7.854 -51.571 309 HD3 PRO 51 HD3 PRO 51 -20.358 -9.608 -51.824 310 H CYS 52 H CYS 52 -14.934 -8.706 -50.902 311 HA CYS 52 HA CYS 52 -14.649 -6.249 -49.638 312 HB2 CYS 52 HB2 CYS 52 -12.909 -7.960 -49.716 313 HB3 CYS 52 HB3 CYS 52 -12.738 -7.699 -51.450 314 H GLY 53 H GLY 53 -14.186 -4.158 -50.382 315 HA2 GLY 53 HA2 GLY 53 -14.819 -3.781 -53.238 316 HA3 GLY 53 HA3 GLY 53 -15.337 -2.671 -51.980 317 H CYS 54 H CYS 54 -12.168 -3.768 -51.433 318 HA CYS 54 HA CYS 54 -11.021 -1.239 -51.722 319 HB2 CYS 54 HB2 CYS 54 -9.812 -3.982 -51.617 320 HB3 CYS 54 HB3 CYS 54 -8.819 -2.538 -51.771 321 H ALA 55 H ALA 55 -11.233 -3.898 -53.999 322 HA ALA 55 HA ALA 55 -9.453 -2.867 -55.925 323 HB1 ALA 55 HB1 ALA 55 -11.792 -4.725 -56.335 324 HB2 ALA 55 HB2 ALA 55 -10.161 -5.211 -55.876 325 HB3 ALA 55 HB3 ALA 55 -10.451 -4.479 -57.453 326 H THR 56 H THR 56 -12.517 -1.788 -54.995 327 HA THR 56 HA THR 56 -12.988 -0.524 -57.599 328 HB THR 56 HB THR 56 -14.925 -0.876 -55.303 329 HG1 THR 56 HG1 THR 56 -15.583 -2.683 -56.312 330 HG21 THR 56 HG21 THR 56 -15.486 1.027 -56.716 331 HG22 THR 56 HG22 THR 56 -16.619 -0.292 -57.014 332 HG23 THR 56 HG23 THR 56 -15.318 0.031 -58.159 333 H SER 57 H SER 57 -13.004 0.209 -54.099 334 HA SER 57 HA SER 57 -13.240 3.052 -54.664 335 HB2 SER 57 HB2 SER 57 -14.552 2.184 -52.827 336 HB3 SER 57 HB3 SER 57 -13.109 1.527 -52.058 337 HG SER 57 HG SER 57 -12.379 3.618 -51.691 338 H GLY 58 H GLY 58 -10.748 0.795 -53.904 339 HA2 GLY 58 HA2 GLY 58 -8.449 1.472 -54.236 340 HA3 GLY 58 HA3 GLY 58 -8.872 3.039 -53.542 341 H CYS 59 H CYS 59 -6.745 1.722 -52.458 342 HA CYS 59 HA CYS 59 -7.692 1.252 -49.791 343 HB2 CYS 59 HB2 CYS 59 -6.460 -1.034 -49.796 344 HB3 CYS 59 HB3 CYS 59 -8.118 -0.922 -50.383 345 H ASN 60 H ASN 60 -5.869 0.560 -48.341 346 HA ASN 60 HA ASN 60 -3.526 2.202 -48.961 347 HB2 ASN 60 HB2 ASN 60 -4.800 2.667 -46.889 348 HB3 ASN 60 HB3 ASN 60 -4.481 1.028 -46.338 349 HD21 ASN 60 HD21 ASN 60 -3.206 4.180 -46.824 350 HD22 ASN 60 HD22 ASN 60 -1.719 3.944 -45.978 351 H CYS 61 H CYS 61 -4.529 -1.040 -48.604 352 HA CYS 61 HA CYS 61 -1.937 -2.084 -47.894 353 HB2 CYS 61 HB2 CYS 61 -3.284 -4.277 -48.245 354 HB3 CYS 61 HB3 CYS 61 -3.649 -3.247 -46.861 355 H THR 62 H THR 62 -1.431 -4.225 -49.208 356 HA THR 62 HA THR 62 -1.649 -3.750 -52.082 357 HB THR 62 HB THR 62 0.861 -4.784 -51.908 358 HG1 THR 62 HG1 THR 62 0.731 -4.480 -49.539 359 HG21 THR 62 HG21 THR 62 1.658 -2.500 -52.326 360 HG22 THR 62 HG22 THR 62 0.089 -1.878 -51.804 361 HG23 THR 62 HG23 THR 62 0.205 -2.873 -53.257 362 H ASP 63 H ASP 63 -0.238 -5.878 -53.040 363 HA ASP 63 HA ASP 63 -1.981 -8.078 -52.580 364 HB2 ASP 63 HB2 ASP 63 0.672 -7.991 -54.035 365 HB3 ASP 63 HB3 ASP 63 -0.462 -9.334 -54.094 366 H ASP 64 H ASP 64 0.288 -6.959 -50.608 367 HA ASP 64 HA ASP 64 1.502 -9.433 -49.712 368 HB2 ASP 64 HB2 ASP 64 2.705 -8.080 -48.175 369 HB3 ASP 64 HB3 ASP 64 2.540 -7.064 -49.606 370 H CYS 65 H CYS 65 -1.379 -7.769 -49.340 371 HA CYS 65 HA CYS 65 -2.011 -8.299 -46.627 372 HB2 CYS 65 HB2 CYS 65 -3.052 -6.565 -48.212 373 HB3 CYS 65 HB3 CYS 65 -3.980 -7.895 -48.888 374 H LYS 66 H LYS 66 -3.360 -9.937 -45.776 375 HA LYS 66 HA LYS 66 -3.157 -12.461 -47.132 376 HB2 LYS 66 HB2 LYS 66 -4.517 -11.709 -44.541 377 HB3 LYS 66 HB3 LYS 66 -4.413 -13.351 -45.151 378 HG2 LYS 66 HG2 LYS 66 -1.994 -11.653 -44.533 379 HG3 LYS 66 HG3 LYS 66 -2.742 -12.740 -43.369 380 HD2 LYS 66 HD2 LYS 66 -1.099 -14.122 -44.203 381 HD3 LYS 66 HD3 LYS 66 -2.402 -14.502 -45.326 382 HE2 LYS 66 HE2 LYS 66 -0.322 -14.166 -46.524 383 HE3 LYS 66 HE3 LYS 66 -1.451 -12.888 -46.937 384 HZ1 LYS 66 HZ1 LYS 66 0.710 -11.973 -46.574 385 HZ2 LYS 66 HZ2 LYS 66 0.821 -12.691 -45.048 386 HZ3 LYS 66 HZ3 LYS 66 -0.297 -11.455 -45.314 387 H CYS 67 H CYS 67 -5.268 -9.957 -47.446 388 HA CYS 67 HA CYS 67 -7.621 -11.511 -47.986 389 HB2 CYS 67 HB2 CYS 67 -7.859 -9.196 -47.248 390 HB3 CYS 67 HB3 CYS 67 -6.946 -8.639 -48.648 391 H GLN 68 H GLN 68 -8.164 -12.405 -49.870 392 HA GLN 68 HA GLN 68 -6.306 -12.008 -52.109 393 HB2 GLN 68 HB2 GLN 68 -8.202 -14.297 -51.589 394 HB3 GLN 68 HB3 GLN 68 -7.024 -14.205 -52.892 395 HG2 GLN 68 HG2 GLN 68 -5.209 -14.219 -51.277 396 HG3 GLN 68 HG3 GLN 68 -6.368 -14.245 -49.953 397 HE21 GLN 68 HE21 GLN 68 -8.144 -16.089 -51.418 398 HE22 GLN 68 HE22 GLN 68 -7.387 -17.637 -51.303 399 H SER 69 H SER 69 -8.903 -10.546 -51.224 400 HA SER 69 HA SER 69 -10.532 -10.972 -53.581 401 HB2 SER 69 HB2 SER 69 -10.939 -9.136 -51.218 402 HB3 SER 69 HB3 SER 69 -12.097 -9.386 -52.527 403 HG SER 69 HG SER 69 -11.890 -11.706 -51.913 404 H CYS 70 H CYS 70 -8.600 -8.302 -52.156 405 HA CYS 70 HA CYS 70 -8.960 -6.877 -54.684 406 HB2 CYS 70 HB2 CYS 70 -8.026 -4.910 -53.569 407 HB3 CYS 70 HB3 CYS 70 -9.384 -5.563 -52.669 408 H SER 71 H SER 71 -6.823 -8.958 -53.230 409 HA SER 71 HA SER 71 -4.447 -7.926 -54.501 410 HB2 SER 71 HB2 SER 71 -4.904 -10.565 -53.085 411 HB3 SER 71 HB3 SER 71 -3.343 -9.900 -53.562 412 HG SER 71 HG SER 71 -4.677 -9.479 -51.317 413 H THR 72 H THR 72 -3.279 -9.129 -56.087 414 HA THR 72 HA THR 72 -4.954 -9.974 -58.206 415 HB THR 72 HB THR 72 -2.704 -10.559 -59.302 416 HG1 THR 72 HG1 THR 72 -1.781 -9.157 -56.983 417 HG21 THR 72 HG21 THR 72 -3.210 -7.751 -58.300 418 HG22 THR 72 HG22 THR 72 -3.926 -8.479 -59.739 419 HG23 THR 72 HG23 THR 72 -2.188 -8.184 -59.671 420 H ALA 73 H ALA 73 -5.524 -11.891 -58.917 421 HA ALA 73 HA ALA 73 -5.179 -14.227 -57.340 422 HB1 ALA 73 HB1 ALA 73 -6.372 -13.753 -60.067 423 HB2 ALA 73 HB2 ALA 73 -7.233 -13.905 -58.535 424 HB3 ALA 73 HB3 ALA 73 -6.422 -15.303 -59.239 425 H CYS 74 H CYS 74 -4.319 -16.273 -58.185 426 HA CYS 74 HA CYS 74 -1.846 -15.835 -59.663 427 HB2 CYS 74 HB2 CYS 74 -2.437 -17.407 -57.454 428 HB3 CYS 74 HB3 CYS 74 -2.370 -18.574 -58.770 429 H LYS 75 H LYS 75 -1.280 -17.364 -61.403 430 HA LYS 75 HA LYS 75 -3.623 -17.712 -63.110 431 HB2 LYS 75 HB2 LYS 75 -0.680 -17.728 -63.752 432 HB3 LYS 75 HB3 LYS 75 -1.958 -17.961 -64.935 433 HG2 LYS 75 HG2 LYS 75 -1.563 -15.503 -63.250 434 HG3 LYS 75 HG3 LYS 75 -1.101 -15.682 -64.944 435 HD2 LYS 75 HD2 LYS 75 -3.461 -16.095 -65.519 436 HD3 LYS 75 HD3 LYS 75 -3.900 -15.845 -63.827 437 HE2 LYS 75 HE2 LYS 75 -3.088 -13.570 -63.918 438 HE3 LYS 75 HE3 LYS 75 -2.525 -13.805 -65.569 439 HZ1 LYS 75 HZ1 LYS 75 -4.638 -12.636 -65.481 440 HZ2 LYS 75 HZ2 LYS 75 -5.353 -13.948 -64.694 441 HZ3 LYS 75 HZ3 LYS 75 -4.789 -14.118 -66.278 442 H CYS 76 H CYS 76 -2.015 -19.636 -61.042 443 HA CYS 76 HA CYS 76 -1.584 -21.945 -62.617 444 HB2 CYS 76 HB2 CYS 76 -1.953 -21.649 -59.647 445 HB3 CYS 76 HB3 CYS 76 -1.401 -23.111 -60.461 446 H ALA 77 H ALA 77 -2.685 -23.952 -62.429 447 HA ALA 77 HA ALA 77 -5.580 -23.625 -62.069 448 HB1 ALA 77 HB1 ALA 77 -4.955 -24.009 -64.404 449 HB2 ALA 77 HB2 ALA 77 -5.871 -25.369 -63.758 450 HB3 ALA 77 HB3 ALA 77 -4.122 -25.491 -63.940 451 H ALA 78 H ALA 78 -6.545 -26.002 -61.856 452 HA ALA 78 HA ALA 78 -6.242 -26.845 -59.306 453 HB1 ALA 78 HB1 ALA 78 -8.038 -27.565 -60.799 454 HB2 ALA 78 HB2 ALA 78 -7.331 -28.916 -59.914 455 HB3 ALA 78 HB3 ALA 78 -6.918 -28.657 -61.610 456 H GLY 79 H GLY 79 -4.404 -28.168 -62.040 457 HA2 GLY 79 HA2 GLY 79 -2.508 -29.243 -60.063 458 HA3 GLY 79 HA3 GLY 79 -3.092 -30.273 -61.364 459 H SER 80 H SER 80 -2.341 -26.850 -61.631 460 HA SER 80 HA SER 80 0.040 -27.534 -63.201 461 HB2 SER 80 HB2 SER 80 -2.049 -25.535 -64.094 462 HB3 SER 80 HB3 SER 80 -0.585 -25.986 -64.962 463 HG SER 80 HG SER 80 -1.423 -27.941 -65.414 464 H CYS 81 H CYS 81 1.532 -26.726 -61.839 465 HA CYS 81 HA CYS 81 1.217 -24.052 -60.715 466 HB2 CYS 81 HB2 CYS 81 2.059 -25.897 -59.281 467 HB3 CYS 81 HB3 CYS 81 3.423 -26.109 -60.367 468 H LYS 82 H LYS 82 2.331 -22.288 -61.461 469 HA LYS 82 HA LYS 82 4.088 -22.753 -63.786 470 HB2 LYS 82 HB2 LYS 82 2.070 -20.624 -63.232 471 HB3 LYS 82 HB3 LYS 82 3.453 -20.240 -64.242 472 HG2 LYS 82 HG2 LYS 82 1.568 -20.850 -65.615 473 HG3 LYS 82 HG3 LYS 82 2.831 -22.069 -65.762 474 HD2 LYS 82 HD2 LYS 82 1.633 -23.551 -64.292 475 HD3 LYS 82 HD3 LYS 82 0.432 -22.306 -63.954 476 HE2 LYS 82 HE2 LYS 82 -0.436 -23.915 -65.554 477 HE3 LYS 82 HE3 LYS 82 -0.250 -22.333 -66.304 478 HZ1 LYS 82 HZ1 LYS 82 1.654 -24.590 -66.568 479 HZ2 LYS 82 HZ2 LYS 82 1.792 -23.081 -67.325 480 HZ3 LYS 82 HZ3 LYS 82 0.524 -24.118 -67.730 481 H CYS 83 H CYS 83 3.603 -20.466 -61.094 482 HA CYS 83 HA CYS 83 6.125 -19.218 -61.440 483 HB2 CYS 83 HB2 CYS 83 5.665 -18.274 -59.186 484 HB3 CYS 83 HB3 CYS 83 4.334 -18.061 -60.322 485 H GLY 84 H GLY 84 5.058 -22.059 -59.769 486 HA2 GLY 84 HA2 GLY 84 6.376 -23.790 -58.964 487 HA3 GLY 84 HA3 GLY 84 7.798 -22.794 -59.232 488 H LYS 85 H LYS 85 5.161 -21.439 -57.471 489 HA LYS 85 HA LYS 85 6.830 -21.384 -55.091 490 HB2 LYS 85 HB2 LYS 85 4.242 -19.974 -55.748 491 HB3 LYS 85 HB3 LYS 85 5.106 -19.797 -54.227 492 HG2 LYS 85 HG2 LYS 85 6.226 -19.104 -56.936 493 HG3 LYS 85 HG3 LYS 85 5.528 -17.950 -55.799 494 HD2 LYS 85 HD2 LYS 85 7.253 -18.457 -54.171 495 HD3 LYS 85 HD3 LYS 85 7.911 -19.715 -55.219 496 HE2 LYS 85 HE2 LYS 85 9.230 -17.653 -55.352 497 HE3 LYS 85 HE3 LYS 85 8.482 -18.048 -56.895 498 HZ1 LYS 85 HZ1 LYS 85 6.767 -16.413 -56.451 499 HZ2 LYS 85 HZ2 LYS 85 8.292 -15.695 -56.385 500 HZ3 LYS 85 HZ3 LYS 85 7.463 -16.040 -54.954 501 H GLY 86 H GLY 86 4.372 -23.241 -56.371 502 HA2 GLY 86 HA2 GLY 86 3.785 -25.282 -55.333 503 HA3 GLY 86 HA3 GLY 86 4.043 -24.536 -53.766 504 H CYS 87 H CYS 87 2.186 -22.910 -56.234 505 HA CYS 87 HA CYS 87 -0.214 -23.500 -54.671 506 HB2 CYS 87 HB2 CYS 87 -1.016 -21.258 -55.658 507 HB3 CYS 87 HB3 CYS 87 0.152 -21.217 -54.344 508 H THR 88 H THR 88 -2.115 -23.906 -55.762 509 HA THR 88 HA THR 88 -1.817 -24.378 -58.636 510 HB THR 88 HB THR 88 -3.631 -26.203 -58.173 511 HG1 THR 88 HG1 THR 88 -2.342 -26.086 -55.630 512 HG21 THR 88 HG21 THR 88 -1.368 -26.682 -58.976 513 HG22 THR 88 HG22 THR 88 -1.870 -27.871 -57.776 514 HG23 THR 88 HG23 THR 88 -0.752 -26.584 -57.326 515 H GLY 89 H GLY 89 -2.691 -21.962 -57.746 516 HA2 GLY 89 HA2 GLY 89 -4.683 -21.094 -59.142 517 HA3 GLY 89 HA3 GLY 89 -5.617 -22.018 -57.972 518 HA PRO 90 HA PRO 90 -4.619 -17.515 -56.572 519 HB2 PRO 90 HB2 PRO 90 -7.275 -16.813 -56.380 520 HB3 PRO 90 HB3 PRO 90 -6.228 -16.424 -57.747 521 HG2 PRO 90 HG2 PRO 90 -8.153 -18.692 -57.423 522 HG3 PRO 90 HG3 PRO 90 -7.904 -17.644 -58.841 523 HD2 PRO 90 HD2 PRO 90 -6.874 -20.088 -58.779 524 HD3 PRO 90 HD3 PRO 90 -5.909 -18.739 -59.419 525 H ASP 91 H ASP 91 -7.332 -19.662 -55.704 526 HA ASP 91 HA ASP 91 -7.553 -18.790 -53.031 527 HB2 ASP 91 HB2 ASP 91 -9.343 -20.046 -54.155 528 HB3 ASP 91 HB3 ASP 91 -8.309 -21.469 -54.224 529 H SER 92 H SER 92 -5.637 -21.266 -54.574 530 HA SER 92 HA SER 92 -4.647 -22.339 -52.099 531 HB2 SER 92 HB2 SER 92 -3.641 -22.837 -54.899 532 HB3 SER 92 HB3 SER 92 -3.443 -23.869 -53.479 533 HG SER 92 HG SER 92 -5.645 -24.253 -53.484 534 H CYS 93 H CYS 93 -3.996 -19.554 -53.750 535 HA CYS 93 HA CYS 93 -1.127 -19.638 -53.449 536 HB2 CYS 93 HB2 CYS 93 -2.102 -18.477 -55.382 537 HB3 CYS 93 HB3 CYS 93 -2.916 -17.354 -54.301 538 H LYS 94 H LYS 94 -0.716 -19.810 -51.326 539 HA LYS 94 HA LYS 94 -1.733 -17.789 -49.468 540 HB2 LYS 94 HB2 LYS 94 -0.615 -19.171 -47.758 541 HB3 LYS 94 HB3 LYS 94 -1.784 -20.086 -48.704 542 HG2 LYS 94 HG2 LYS 94 -0.069 -21.106 -49.976 543 HG3 LYS 94 HG3 LYS 94 1.158 -20.053 -49.273 544 HD2 LYS 94 HD2 LYS 94 0.690 -21.047 -47.081 545 HD3 LYS 94 HD3 LYS 94 -0.462 -22.141 -47.851 546 HE2 LYS 94 HE2 LYS 94 2.436 -21.908 -48.550 547 HE3 LYS 94 HE3 LYS 94 1.759 -23.148 -47.495 548 HZ1 LYS 94 HZ1 LYS 94 1.134 -22.736 -50.372 549 HZ2 LYS 94 HZ2 LYS 94 0.386 -23.883 -49.381 550 HZ3 LYS 94 HZ3 LYS 94 2.036 -24.001 -49.711 551 H CYS 95 H CYS 95 0.270 -17.470 -51.678 552 HA CYS 95 HA CYS 95 2.735 -16.888 -50.297 553 HB2 CYS 95 HB2 CYS 95 1.943 -16.589 -53.190 554 HB3 CYS 95 HB3 CYS 95 3.565 -16.356 -52.550 555 H ASP 96 H ASP 96 3.699 -14.749 -51.544 556 HA ASP 96 HA ASP 96 1.873 -12.624 -50.702 557 HB2 ASP 96 HB2 ASP 96 3.877 -11.261 -50.235 558 HB3 ASP 96 HB3 ASP 96 3.876 -12.752 -49.308 559 H ARG 97 H ARG 97 3.434 -10.551 -51.812 560 HA ARG 97 HA ARG 97 2.231 -10.533 -54.405 561 HB2 ARG 97 HB2 ARG 97 3.015 -8.185 -54.442 562 HB3 ARG 97 HB3 ARG 97 2.069 -8.610 -53.019 563 HG2 ARG 97 HG2 ARG 97 4.266 -8.948 -51.821 564 HG3 ARG 97 HG3 ARG 97 5.018 -8.146 -53.202 565 HD2 ARG 97 HD2 ARG 97 3.571 -6.208 -52.858 566 HD3 ARG 97 HD3 ARG 97 2.828 -7.005 -51.477 567 HE ARG 97 HE ARG 97 5.523 -6.975 -50.941 568 HH11 ARG 97 HH11 ARG 97 3.072 -4.543 -51.590 569 HH12 ARG 97 HH12 ARG 97 3.847 -3.316 -50.656 570 HH21 ARG 97 HH21 ARG 97 6.564 -5.329 -49.712 571 HH22 ARG 97 HH22 ARG 97 5.848 -3.761 -49.588 572 H SER 98 H SER 98 5.177 -11.729 -53.421 573 HA SER 98 HA SER 98 6.748 -10.740 -55.632 574 HB2 SER 98 HB2 SER 98 7.812 -11.225 -53.463 575 HB3 SER 98 HB3 SER 98 7.374 -12.923 -53.628 576 HG SER 98 HG SER 98 8.598 -12.540 -55.793 577 H CYS 99 H CYS 99 4.240 -12.580 -55.896 578 HA CYS 99 HA CYS 99 5.364 -14.816 -57.347 579 HB2 CYS 99 HB2 CYS 99 2.795 -14.149 -56.238 580 HB3 CYS 99 HB3 CYS 99 2.620 -14.627 -57.923 581 H SER 100 H SER 100 5.518 -15.024 -59.514 582 HA SER 100 HA SER 100 5.507 -12.638 -61.067 583 HB2 SER 100 HB2 SER 100 6.106 -14.294 -62.918 584 HB3 SER 100 HB3 SER 100 7.213 -14.191 -61.548 585 HG SER 100 HG SER 100 6.423 -16.368 -62.355 586 H CYS 101 H CYS 101 3.197 -15.099 -60.451 587 HA CYS 101 HA CYS 101 1.698 -14.696 -62.883 588 HB2 CYS 101 HB2 CYS 101 1.147 -16.291 -60.389 589 HB3 CYS 101 HB3 CYS 101 0.033 -16.202 -61.750 590 H LYS 102 H LYS 102 2.098 -12.654 -60.466 591 HA LYS 102 HA LYS 102 -0.676 -12.077 -59.890 592 HB2 LYS 102 HB2 LYS 102 1.842 -10.616 -59.087 593 HB3 LYS 102 HB3 LYS 102 0.225 -10.232 -58.520 594 HG2 LYS 102 HG2 LYS 102 1.835 -12.704 -57.960 595 HG3 LYS 102 HG3 LYS 102 1.283 -11.482 -56.814 596 HD2 LYS 102 HD2 LYS 102 -1.068 -12.137 -57.362 597 HD3 LYS 102 HD3 LYS 102 -0.411 -13.449 -58.343 598 HE2 LYS 102 HE2 LYS 102 0.691 -14.381 -56.381 599 HE3 LYS 102 HE3 LYS 102 0.065 -13.059 -55.393 600 HZ1 LYS 102 HZ1 LYS 102 -2.179 -13.812 -55.907 601 HZ2 LYS 102 HZ2 LYS 102 -1.270 -15.033 -55.143 602 HZ3 LYS 102 HZ3 LYS 102 -1.543 -15.101 -56.808 Start of MODEL 15 1 HA2 GLY 1 HA2 GLY 1 2.305 -5.626 -11.934 2 HA3 GLY 1 HA3 GLY 1 2.660 -3.909 -11.804 3 H SER 2 H SER 2 3.467 -5.968 -9.158 4 HA SER 2 HA SER 2 6.250 -5.307 -9.441 5 HB2 SER 2 HB2 SER 2 5.225 -5.330 -7.219 6 HB3 SER 2 HB3 SER 2 4.822 -7.035 -7.402 7 HG SER 2 HG SER 2 6.789 -7.563 -6.917 8 H MET 3 H MET 3 7.224 -6.309 -11.089 9 HA MET 3 HA MET 3 8.219 -7.924 -12.336 10 HB2 MET 3 HB2 MET 3 7.687 -9.624 -9.894 11 HB3 MET 3 HB3 MET 3 8.694 -10.117 -11.249 12 HG2 MET 3 HG2 MET 3 10.222 -8.287 -10.804 13 HG3 MET 3 HG3 MET 3 9.194 -7.736 -9.483 14 HE1 MET 3 HE1 MET 3 11.314 -7.707 -7.930 15 HE2 MET 3 HE2 MET 3 12.350 -8.338 -9.212 16 HE3 MET 3 HE3 MET 3 12.339 -9.108 -7.626 17 H SER 4 H SER 4 5.253 -7.562 -12.227 18 HA SER 4 HA SER 4 4.094 -10.098 -12.791 19 HB2 SER 4 HB2 SER 4 2.988 -7.367 -13.436 20 HB3 SER 4 HB3 SER 4 2.087 -8.867 -13.199 21 HG SER 4 HG SER 4 2.651 -8.839 -11.039 22 H SER 5 H SER 5 4.713 -11.156 -14.570 23 HA SER 5 HA SER 5 5.496 -9.846 -16.970 24 HB2 SER 5 HB2 SER 5 4.738 -12.741 -16.482 25 HB3 SER 5 HB3 SER 5 5.538 -12.120 -17.928 26 HG SER 5 HG SER 5 6.559 -12.590 -15.387 27 H VAL 6 H VAL 6 3.989 -8.631 -17.915 28 HA VAL 6 HA VAL 6 1.259 -9.548 -17.992 29 HB VAL 6 HB VAL 6 0.794 -7.348 -19.119 30 HG11 VAL 6 HG11 VAL 6 0.479 -7.680 -16.732 31 HG12 VAL 6 HG12 VAL 6 1.062 -6.049 -17.062 32 HG13 VAL 6 HG13 VAL 6 2.168 -7.272 -16.437 33 HG21 VAL 6 HG21 VAL 6 2.524 -5.611 -18.999 34 HG22 VAL 6 HG22 VAL 6 3.016 -6.935 -20.056 35 HG23 VAL 6 HG23 VAL 6 3.687 -6.810 -18.430 36 H PHE 7 H PHE 7 0.539 -10.757 -19.481 37 HA PHE 7 HA PHE 7 1.275 -10.293 -22.247 38 HB2 PHE 7 HB2 PHE 7 2.791 -12.091 -21.502 39 HB3 PHE 7 HB3 PHE 7 1.404 -13.032 -20.965 40 HD1 PHE 7 HD1 PHE 7 2.885 -11.457 -23.987 41 HD2 PHE 7 HD2 PHE 7 0.360 -14.505 -22.427 42 HE1 PHE 7 HE1 PHE 7 2.692 -12.443 -26.232 43 HE2 PHE 7 HE2 PHE 7 0.163 -15.497 -24.668 44 HZ PHE 7 HZ PHE 7 1.330 -14.464 -26.575 45 H GLY 8 H GLY 8 -0.609 -9.793 -23.050 46 HA2 GLY 8 HA2 GLY 8 -2.647 -10.567 -23.972 47 HA3 GLY 8 HA3 GLY 8 -2.835 -11.631 -22.593 48 H ALA 9 H ALA 9 -2.881 -10.332 -20.458 49 HA ALA 9 HA ALA 9 -5.220 -8.647 -20.721 50 HB1 ALA 9 HB1 ALA 9 -3.842 -9.545 -18.204 51 HB2 ALA 9 HB2 ALA 9 -5.091 -10.454 -19.049 52 HB3 ALA 9 HB3 ALA 9 -5.469 -8.882 -18.349 53 H GLY 10 H GLY 10 -1.950 -8.035 -20.625 54 HA2 GLY 10 HA2 GLY 10 -2.045 -5.589 -19.090 55 HA3 GLY 10 HA3 GLY 10 -0.669 -6.195 -20.004 56 H CYS 11 H CYS 11 -3.920 -4.959 -20.569 57 HA CYS 11 HA CYS 11 -3.140 -3.957 -23.165 58 HB2 CYS 11 HB2 CYS 11 -5.395 -5.011 -22.506 59 HB3 CYS 11 HB3 CYS 11 -5.776 -3.424 -21.843 60 H THR 12 H THR 12 -4.719 -1.600 -23.319 61 HA THR 12 HA THR 12 -3.364 0.207 -21.452 62 HB THR 12 HB THR 12 -1.933 0.124 -23.437 63 HG1 THR 12 HG1 THR 12 -2.106 2.142 -22.448 64 HG21 THR 12 HG21 THR 12 -4.365 1.043 -24.974 65 HG22 THR 12 HG22 THR 12 -3.636 -0.560 -25.077 66 HG23 THR 12 HG23 THR 12 -2.737 0.856 -25.625 67 H ASP 13 H ASP 13 -4.282 2.322 -21.344 68 HA ASP 13 HA ASP 13 -7.154 2.328 -21.486 69 HB2 ASP 13 HB2 ASP 13 -6.020 3.438 -19.640 70 HB3 ASP 13 HB3 ASP 13 -5.157 4.487 -20.758 71 H THR 14 H THR 14 -4.551 3.581 -23.434 72 HA THR 14 HA THR 14 -5.963 5.493 -24.944 73 HB THR 14 HB THR 14 -3.625 3.780 -25.834 74 HG1 THR 14 HG1 THR 14 -3.849 6.055 -24.175 75 HG21 THR 14 HG21 THR 14 -4.450 6.558 -26.701 76 HG22 THR 14 HG22 THR 14 -4.771 5.089 -27.620 77 HG23 THR 14 HG23 THR 14 -3.108 5.605 -27.354 78 H CYS 15 H CYS 15 -6.202 2.151 -24.834 79 HA CYS 15 HA CYS 15 -7.076 1.744 -27.545 80 HB2 CYS 15 HB2 CYS 15 -5.764 0.113 -26.140 81 HB3 CYS 15 HB3 CYS 15 -7.229 -0.131 -25.206 82 H LYS 16 H LYS 16 -8.447 2.957 -24.763 83 HA LYS 16 HA LYS 16 -11.103 1.827 -25.228 84 HB2 LYS 16 HB2 LYS 16 -10.192 3.804 -23.131 85 HB3 LYS 16 HB3 LYS 16 -11.739 2.975 -23.178 86 HG2 LYS 16 HG2 LYS 16 -9.038 1.727 -22.748 87 HG3 LYS 16 HG3 LYS 16 -10.312 1.944 -21.540 88 HD2 LYS 16 HD2 LYS 16 -11.766 0.507 -23.049 89 HD3 LYS 16 HD3 LYS 16 -10.276 0.164 -23.943 90 HE2 LYS 16 HE2 LYS 16 -9.247 -0.694 -21.893 91 HE3 LYS 16 HE3 LYS 16 -10.756 -0.412 -21.026 92 HZ1 LYS 16 HZ1 LYS 16 -10.490 -2.718 -21.737 93 HZ2 LYS 16 HZ2 LYS 16 -10.444 -2.229 -23.351 94 HZ3 LYS 16 HZ3 LYS 16 -11.851 -2.009 -22.438 95 H GLN 17 H GLN 17 -9.475 4.009 -26.816 96 HA GLN 17 HA GLN 17 -11.347 6.221 -26.587 97 HB2 GLN 17 HB2 GLN 17 -8.952 6.056 -28.407 98 HB3 GLN 17 HB3 GLN 17 -9.831 7.493 -27.916 99 HG2 GLN 17 HG2 GLN 17 -7.946 5.812 -26.320 100 HG3 GLN 17 HG3 GLN 17 -7.825 7.525 -26.707 101 HE21 GLN 17 HE21 GLN 17 -8.972 5.192 -24.510 102 HE22 GLN 17 HE22 GLN 17 -9.703 6.281 -23.395 103 H THR 18 H THR 18 -12.202 7.200 -28.536 104 HA THR 18 HA THR 18 -12.560 5.421 -30.826 105 HB THR 18 HB THR 18 -15.069 6.131 -30.758 106 HG1 THR 18 HG1 THR 18 -15.188 7.463 -29.036 107 HG21 THR 18 HG21 THR 18 -15.659 4.134 -29.457 108 HG22 THR 18 HG22 THR 18 -14.017 4.066 -28.818 109 HG23 THR 18 HG23 THR 18 -14.303 3.808 -30.539 110 HA PRO 19 HA PRO 19 -11.932 5.523 -32.730 111 HB2 PRO 19 HB2 PRO 19 -9.763 7.152 -33.858 112 HB3 PRO 19 HB3 PRO 19 -10.924 6.101 -34.673 113 HG2 PRO 19 HG2 PRO 19 -11.047 8.786 -34.895 114 HG3 PRO 19 HG3 PRO 19 -12.502 7.774 -34.890 115 HD2 PRO 19 HD2 PRO 19 -11.327 9.422 -32.680 116 HD3 PRO 19 HD3 PRO 19 -13.030 9.209 -33.144 117 H CYS 20 H CYS 20 -9.906 4.277 -32.456 118 HA CYS 20 HA CYS 20 -8.770 4.599 -29.895 119 HB2 CYS 20 HB2 CYS 20 -8.383 2.735 -32.157 120 HB3 CYS 20 HB3 CYS 20 -6.998 2.922 -31.097 121 H GLY 21 H GLY 21 -6.737 5.226 -29.221 122 HA2 GLY 21 HA2 GLY 21 -5.551 7.254 -30.950 123 HA3 GLY 21 HA3 GLY 21 -5.231 7.025 -29.239 124 H CYS 22 H CYS 22 -5.026 4.041 -30.624 125 HA CYS 22 HA CYS 22 -2.202 4.019 -30.341 126 HB2 CYS 22 HB2 CYS 22 -4.141 1.922 -31.292 127 HB3 CYS 22 HB3 CYS 22 -2.407 1.639 -31.193 128 H GLY 23 H GLY 23 -4.128 2.950 -33.166 129 HA2 GLY 23 HA2 GLY 23 -3.775 3.305 -35.422 130 HA3 GLY 23 HA3 GLY 23 -2.522 4.470 -35.005 131 H SER 24 H SER 24 -0.429 3.874 -35.106 132 HA SER 24 HA SER 24 0.111 1.061 -35.758 133 HB2 SER 24 HB2 SER 24 0.717 2.600 -37.567 134 HB3 SER 24 HB3 SER 24 1.705 3.546 -36.458 135 HG SER 24 HG SER 24 2.569 1.099 -36.223 136 H GLY 25 H GLY 25 0.013 2.842 -33.170 137 HA2 GLY 25 HA2 GLY 25 2.464 1.688 -32.015 138 HA3 GLY 25 HA3 GLY 25 1.930 3.318 -31.614 139 H CYS 26 H CYS 26 1.435 -0.043 -31.119 140 HA CYS 26 HA CYS 26 -0.900 0.472 -29.441 141 HB2 CYS 26 HB2 CYS 26 0.272 -2.147 -30.346 142 HB3 CYS 26 HB3 CYS 26 -1.272 -1.913 -29.529 143 H ASN 27 H ASN 27 -0.662 0.646 -27.350 144 HA ASN 27 HA ASN 27 1.758 -0.284 -26.048 145 HB2 ASN 27 HB2 ASN 27 0.837 1.918 -25.431 146 HB3 ASN 27 HB3 ASN 27 -0.666 1.160 -24.925 147 HD21 ASN 27 HD21 ASN 27 2.722 1.583 -24.185 148 HD22 ASN 27 HD22 ASN 27 2.619 1.105 -22.528 149 H CYS 28 H CYS 28 -1.271 -1.471 -26.833 150 HA CYS 28 HA CYS 28 -1.624 -3.208 -24.584 151 HB2 CYS 28 HB2 CYS 28 -3.365 -4.235 -26.222 152 HB3 CYS 28 HB3 CYS 28 -3.652 -2.635 -25.550 153 H LYS 29 H LYS 29 -1.989 -5.628 -25.132 154 HA LYS 29 HA LYS 29 0.542 -6.579 -26.211 155 HB2 LYS 29 HB2 LYS 29 -1.623 -8.266 -24.957 156 HB3 LYS 29 HB3 LYS 29 0.089 -8.633 -25.094 157 HG2 LYS 29 HG2 LYS 29 -1.143 -6.510 -23.339 158 HG3 LYS 29 HG3 LYS 29 -0.502 -8.056 -22.800 159 HD2 LYS 29 HD2 LYS 29 1.110 -5.891 -24.150 160 HD3 LYS 29 HD3 LYS 29 1.042 -6.156 -22.409 161 HE2 LYS 29 HE2 LYS 29 1.979 -8.387 -22.703 162 HE3 LYS 29 HE3 LYS 29 2.017 -8.156 -24.450 163 HZ1 LYS 29 HZ1 LYS 29 4.181 -7.761 -23.464 164 HZ2 LYS 29 HZ2 LYS 29 3.545 -6.564 -22.459 165 HZ3 LYS 29 HZ3 LYS 29 3.575 -6.335 -24.135 166 H GLU 30 H GLU 30 0.486 -8.659 -27.536 167 HA GLU 30 HA GLU 30 -1.171 -8.168 -29.840 168 HB2 GLU 30 HB2 GLU 30 0.031 -10.125 -30.841 169 HB3 GLU 30 HB3 GLU 30 1.077 -8.829 -30.293 170 HG2 GLU 30 HG2 GLU 30 0.540 -11.197 -28.541 171 HG3 GLU 30 HG3 GLU 30 1.739 -11.280 -29.829 172 H ASP 31 H ASP 31 -2.139 -9.383 -27.143 173 HA ASP 31 HA ASP 31 -3.547 -11.729 -28.177 174 HB2 ASP 31 HB2 ASP 31 -2.543 -11.659 -25.839 175 HB3 ASP 31 HB3 ASP 31 -3.777 -10.462 -25.455 176 H CYS 32 H CYS 32 -3.862 -8.420 -27.863 177 HA CYS 32 HA CYS 32 -6.666 -8.168 -27.448 178 HB2 CYS 32 HB2 CYS 32 -4.978 -6.410 -26.918 179 HB3 CYS 32 HB3 CYS 32 -4.680 -6.214 -28.639 180 H ARG 33 H ARG 33 -8.276 -8.196 -28.934 181 HA ARG 33 HA ARG 33 -7.527 -8.513 -31.766 182 HB2 ARG 33 HB2 ARG 33 -9.615 -9.845 -30.084 183 HB3 ARG 33 HB3 ARG 33 -9.940 -9.609 -31.792 184 HG2 ARG 33 HG2 ARG 33 -7.458 -10.993 -30.805 185 HG3 ARG 33 HG3 ARG 33 -8.970 -11.851 -31.109 186 HD2 ARG 33 HD2 ARG 33 -8.939 -10.973 -33.432 187 HD3 ARG 33 HD3 ARG 33 -7.372 -10.246 -33.103 188 HE ARG 33 HE ARG 33 -6.952 -12.835 -32.496 189 HH11 ARG 33 HH11 ARG 33 -8.370 -11.288 -35.312 190 HH12 ARG 33 HH12 ARG 33 -7.815 -12.489 -36.420 191 HH21 ARG 33 HH21 ARG 33 -6.225 -14.462 -33.987 192 HH22 ARG 33 HH22 ARG 33 -6.615 -14.306 -35.664 193 H CYS 34 H CYS 34 -7.616 -6.013 -31.268 194 HA CYS 34 HA CYS 34 -10.369 -5.030 -31.621 195 HB2 CYS 34 HB2 CYS 34 -8.762 -4.146 -29.762 196 HB3 CYS 34 HB3 CYS 34 -7.982 -3.291 -31.085 197 H GLN 35 H GLN 35 -10.927 -4.647 -33.680 198 HA GLN 35 HA GLN 35 -9.074 -4.573 -35.796 199 HB2 GLN 35 HB2 GLN 35 -11.995 -3.893 -35.634 200 HB3 GLN 35 HB3 GLN 35 -11.083 -3.628 -37.116 201 HG2 GLN 35 HG2 GLN 35 -12.149 -5.745 -37.270 202 HG3 GLN 35 HG3 GLN 35 -10.417 -6.008 -37.065 203 HE21 GLN 35 HE21 GLN 35 -10.157 -7.812 -35.967 204 HE22 GLN 35 HE22 GLN 35 -10.970 -8.223 -34.504 205 H SER 36 H SER 36 -10.091 -2.197 -33.652 206 HA SER 36 HA SER 36 -9.773 0.131 -35.145 207 HB2 SER 36 HB2 SER 36 -9.236 -0.315 -32.209 208 HB3 SER 36 HB3 SER 36 -9.457 1.249 -32.989 209 HG SER 36 HG SER 36 -11.346 0.115 -31.923 210 H CYS 37 H CYS 37 -7.367 -1.942 -33.606 211 HA CYS 37 HA CYS 37 -5.313 -0.338 -34.943 212 HB2 CYS 37 HB2 CYS 37 -3.894 -1.064 -32.799 213 HB3 CYS 37 HB3 CYS 37 -4.818 0.431 -32.859 214 H LYS 38 H LYS 38 -6.708 -2.999 -35.350 215 HA LYS 38 HA LYS 38 -4.399 -4.800 -35.297 216 HB2 LYS 38 HB2 LYS 38 -6.531 -5.666 -34.382 217 HB3 LYS 38 HB3 LYS 38 -7.289 -5.409 -35.941 218 HG2 LYS 38 HG2 LYS 38 -6.839 -7.688 -35.833 219 HG3 LYS 38 HG3 LYS 38 -5.592 -7.034 -36.893 220 HD2 LYS 38 HD2 LYS 38 -4.589 -8.633 -35.413 221 HD3 LYS 38 HD3 LYS 38 -4.050 -7.027 -34.901 222 HE2 LYS 38 HE2 LYS 38 -5.618 -7.017 -33.108 223 HE3 LYS 38 HE3 LYS 38 -6.394 -8.485 -33.706 224 HZ1 LYS 38 HZ1 LYS 38 -3.561 -8.358 -32.810 225 HZ2 LYS 38 HZ2 LYS 38 -4.454 -9.744 -33.172 226 HZ3 LYS 38 HZ3 LYS 38 -4.840 -8.823 -31.807 227 H TYR 39 H TYR 39 -3.642 -3.223 -36.933 228 HA TYR 39 HA TYR 39 -3.847 -4.523 -39.501 229 HB2 TYR 39 HB2 TYR 39 -4.197 -2.395 -40.735 230 HB3 TYR 39 HB3 TYR 39 -5.587 -2.882 -39.778 231 HD1 TYR 39 HD1 TYR 39 -2.782 -0.490 -39.998 232 HD2 TYR 39 HD2 TYR 39 -6.401 -1.501 -38.008 233 HE1 TYR 39 HE1 TYR 39 -2.820 1.732 -38.952 234 HE2 TYR 39 HE2 TYR 39 -6.448 0.716 -36.956 235 HH TYR 39 HH TYR 39 -4.468 3.264 -37.984 236 H GLY 40 H GLY 40 -2.211 -3.587 -41.053 237 HA2 GLY 40 HA2 GLY 40 0.198 -2.911 -39.508 238 HA3 GLY 40 HA3 GLY 40 0.185 -3.725 -41.068 239 H ALA 41 H ALA 41 0.449 -0.777 -39.455 240 HA ALA 41 HA ALA 41 0.960 1.317 -40.090 241 HB1 ALA 41 HB1 ALA 41 2.375 0.271 -41.801 242 HB2 ALA 41 HB2 ALA 41 1.688 1.801 -42.352 243 HB3 ALA 41 HB3 ALA 41 1.010 0.271 -42.917 244 H GLY 42 H GLY 42 -1.262 -0.020 -42.474 245 HA2 GLY 42 HA2 GLY 42 -3.489 1.471 -41.683 246 HA3 GLY 42 HA3 GLY 42 -2.665 2.386 -42.939 247 H CYS 43 H CYS 43 -4.692 -0.276 -42.235 248 HA CYS 43 HA CYS 43 -4.710 -1.059 -45.080 249 HB2 CYS 43 HB2 CYS 43 -4.113 -2.917 -43.547 250 HB3 CYS 43 HB3 CYS 43 -5.611 -2.662 -42.662 251 H THR 44 H THR 44 -6.675 -1.375 -46.083 252 HA THR 44 HA THR 44 -8.531 0.618 -45.556 253 HB THR 44 HB THR 44 -9.737 -1.345 -47.175 254 HG1 THR 44 HG1 THR 44 -8.030 -2.435 -47.883 255 HG21 THR 44 HG21 THR 44 -9.808 1.079 -47.476 256 HG22 THR 44 HG22 THR 44 -9.218 0.277 -48.935 257 HG23 THR 44 HG23 THR 44 -8.081 1.070 -47.833 258 H ASP 45 H ASP 45 -10.194 0.695 -44.224 259 HA ASP 45 HA ASP 45 -10.973 -1.464 -42.568 260 HB2 ASP 45 HB2 ASP 45 -11.274 0.916 -41.950 261 HB3 ASP 45 HB3 ASP 45 -12.463 1.088 -43.234 262 H VAL 46 H VAL 46 -11.933 -0.258 -45.644 263 HA VAL 46 HA VAL 46 -14.383 -1.564 -46.015 264 HB VAL 46 HB VAL 46 -12.321 -0.997 -48.159 265 HG11 VAL 46 HG11 VAL 46 -14.177 -2.336 -48.934 266 HG12 VAL 46 HG12 VAL 46 -14.290 -0.707 -49.605 267 HG13 VAL 46 HG13 VAL 46 -15.326 -1.183 -48.258 268 HG21 VAL 46 HG21 VAL 46 -14.397 0.870 -47.016 269 HG22 VAL 46 HG22 VAL 46 -13.373 1.202 -48.413 270 HG23 VAL 46 HG23 VAL 46 -12.651 1.008 -46.814 271 H CYS 47 H CYS 47 -11.106 -2.670 -46.109 272 HA CYS 47 HA CYS 47 -11.558 -5.124 -47.486 273 HB2 CYS 47 HB2 CYS 47 -9.357 -4.041 -47.448 274 HB3 CYS 47 HB3 CYS 47 -9.288 -4.185 -45.702 275 H LYS 48 H LYS 48 -11.622 -4.053 -44.139 276 HA LYS 48 HA LYS 48 -11.744 -6.723 -43.043 277 HB2 LYS 48 HB2 LYS 48 -12.261 -4.094 -41.683 278 HB3 LYS 48 HB3 LYS 48 -11.894 -5.633 -40.915 279 HG2 LYS 48 HG2 LYS 48 -9.682 -5.608 -41.857 280 HG3 LYS 48 HG3 LYS 48 -10.056 -4.110 -42.719 281 HD2 LYS 48 HD2 LYS 48 -10.351 -2.939 -40.635 282 HD3 LYS 48 HD3 LYS 48 -10.105 -4.435 -39.727 283 HE2 LYS 48 HE2 LYS 48 -8.073 -3.153 -41.542 284 HE3 LYS 48 HE3 LYS 48 -8.108 -2.997 -39.790 285 HZ1 LYS 48 HZ1 LYS 48 -7.880 -5.442 -39.656 286 HZ2 LYS 48 HZ2 LYS 48 -6.557 -4.708 -40.394 287 HZ3 LYS 48 HZ3 LYS 48 -7.710 -5.504 -41.338 288 H GLN 49 H GLN 49 -13.998 -4.620 -44.409 289 HA GLN 49 HA GLN 49 -16.187 -4.650 -42.783 290 HB2 GLN 49 HB2 GLN 49 -15.990 -4.699 -45.765 291 HB3 GLN 49 HB3 GLN 49 -17.566 -4.682 -44.964 292 HG2 GLN 49 HG2 GLN 49 -16.722 -2.652 -43.690 293 HG3 GLN 49 HG3 GLN 49 -15.401 -2.609 -44.849 294 HE21 GLN 49 HE21 GLN 49 -16.058 -0.610 -45.672 295 HE22 GLN 49 HE22 GLN 49 -17.461 -0.441 -46.670 296 H THR 50 H THR 50 -15.418 -7.172 -45.055 297 HA THR 50 HA THR 50 -15.927 -9.357 -45.170 298 HB THR 50 HB THR 50 -16.728 -8.967 -42.313 299 HG1 THR 50 HG1 THR 50 -14.585 -8.446 -42.565 300 HG21 THR 50 HG21 THR 50 -17.633 -11.054 -43.251 301 HG22 THR 50 HG22 THR 50 -16.353 -11.405 -42.090 302 HG23 THR 50 HG23 THR 50 -16.025 -11.497 -43.821 303 HA PRO 51 HA PRO 51 -16.666 -10.350 -46.738 304 HB2 PRO 51 HB2 PRO 51 -17.787 -9.720 -49.127 305 HB3 PRO 51 HB3 PRO 51 -18.274 -11.125 -48.169 306 HG2 PRO 51 HG2 PRO 51 -19.581 -8.443 -48.390 307 HG3 PRO 51 HG3 PRO 51 -20.324 -10.052 -48.371 308 HD2 PRO 51 HD2 PRO 51 -20.211 -8.432 -46.180 309 HD3 PRO 51 HD3 PRO 51 -20.212 -10.209 -46.068 310 H CYS 52 H CYS 52 -15.009 -9.460 -47.969 311 HA CYS 52 HA CYS 52 -14.212 -6.877 -47.397 312 HB2 CYS 52 HB2 CYS 52 -12.663 -8.574 -48.134 313 HB3 CYS 52 HB3 CYS 52 -13.429 -8.608 -49.726 314 H GLY 53 H GLY 53 -14.350 -4.950 -48.368 315 HA2 GLY 53 HA2 GLY 53 -16.353 -4.806 -50.486 316 HA3 GLY 53 HA3 GLY 53 -15.975 -3.498 -49.369 317 H CYS 54 H CYS 54 -13.080 -4.776 -50.231 318 HA CYS 54 HA CYS 54 -12.385 -2.593 -51.876 319 HB2 CYS 54 HB2 CYS 54 -11.056 -5.207 -51.304 320 HB3 CYS 54 HB3 CYS 54 -10.368 -4.073 -52.465 321 H ALA 55 H ALA 55 -13.556 -5.789 -52.623 322 HA ALA 55 HA ALA 55 -13.144 -5.418 -55.464 323 HB1 ALA 55 HB1 ALA 55 -12.903 -7.646 -54.470 324 HB2 ALA 55 HB2 ALA 55 -14.185 -7.618 -55.680 325 HB3 ALA 55 HB3 ALA 55 -14.591 -7.598 -53.965 326 H THR 56 H THR 56 -15.174 -4.120 -53.370 327 HA THR 56 HA THR 56 -17.513 -4.187 -55.141 328 HB THR 56 HB THR 56 -17.379 -3.398 -52.222 329 HG1 THR 56 HG1 THR 56 -18.240 -5.829 -53.442 330 HG21 THR 56 HG21 THR 56 -19.742 -3.978 -54.019 331 HG22 THR 56 HG22 THR 56 -19.239 -2.383 -53.456 332 HG23 THR 56 HG23 THR 56 -19.820 -3.583 -52.302 333 H SER 57 H SER 57 -15.791 -2.030 -52.894 334 HA SER 57 HA SER 57 -16.873 0.305 -54.266 335 HB2 SER 57 HB2 SER 57 -15.270 0.137 -51.713 336 HB3 SER 57 HB3 SER 57 -16.199 1.521 -52.285 337 HG SER 57 HG SER 57 -18.051 0.505 -51.810 338 H GLY 58 H GLY 58 -13.829 -1.333 -53.639 339 HA2 GLY 58 HA2 GLY 58 -12.271 -0.642 -55.620 340 HA3 GLY 58 HA3 GLY 58 -12.331 0.904 -54.782 341 H CYS 59 H CYS 59 -10.067 -0.901 -55.268 342 HA CYS 59 HA CYS 59 -9.465 -1.953 -52.620 343 HB2 CYS 59 HB2 CYS 59 -9.082 -3.330 -54.652 344 HB3 CYS 59 HB3 CYS 59 -7.873 -2.163 -55.174 345 H ASN 60 H ASN 60 -7.364 -1.527 -51.641 346 HA ASN 60 HA ASN 60 -6.087 0.981 -52.425 347 HB2 ASN 60 HB2 ASN 60 -7.773 1.781 -50.922 348 HB3 ASN 60 HB3 ASN 60 -7.392 0.530 -49.748 349 HD21 ASN 60 HD21 ASN 60 -5.743 0.841 -48.327 350 HD22 ASN 60 HD22 ASN 60 -4.855 2.319 -48.198 351 H CYS 61 H CYS 61 -6.063 -1.858 -50.303 352 HA CYS 61 HA CYS 61 -3.354 -1.393 -49.494 353 HB2 CYS 61 HB2 CYS 61 -3.618 -3.761 -48.555 354 HB3 CYS 61 HB3 CYS 61 -4.653 -2.500 -47.892 355 H THR 62 H THR 62 -2.042 -3.736 -49.651 356 HA THR 62 HA THR 62 -1.394 -3.808 -52.472 357 HB THR 62 HB THR 62 0.537 -5.276 -51.500 358 HG1 THR 62 HG1 THR 62 0.746 -5.270 -49.408 359 HG21 THR 62 HG21 THR 62 0.803 -2.996 -52.400 360 HG22 THR 62 HG22 THR 62 1.813 -3.266 -50.981 361 HG23 THR 62 HG23 THR 62 0.322 -2.331 -50.838 362 H ASP 63 H ASP 63 -0.705 -5.884 -53.417 363 HA ASP 63 HA ASP 63 -2.814 -7.787 -53.372 364 HB2 ASP 63 HB2 ASP 63 -1.513 -7.239 -55.402 365 HB3 ASP 63 HB3 ASP 63 -0.081 -7.946 -54.671 366 H ASP 64 H ASP 64 -0.056 -7.430 -51.452 367 HA ASP 64 HA ASP 64 0.345 -10.251 -50.978 368 HB2 ASP 64 HB2 ASP 64 2.154 -9.628 -49.522 369 HB3 ASP 64 HB3 ASP 64 2.233 -8.635 -50.974 370 H CYS 65 H CYS 65 -1.941 -8.104 -49.922 371 HA CYS 65 HA CYS 65 -2.056 -8.765 -47.175 372 HB2 CYS 65 HB2 CYS 65 -3.354 -6.881 -48.407 373 HB3 CYS 65 HB3 CYS 65 -4.494 -8.146 -48.856 374 H LYS 66 H LYS 66 -3.025 -10.441 -46.151 375 HA LYS 66 HA LYS 66 -3.103 -12.923 -47.420 376 HB2 LYS 66 HB2 LYS 66 -4.126 -13.735 -45.355 377 HB3 LYS 66 HB3 LYS 66 -2.743 -12.690 -45.056 378 HG2 LYS 66 HG2 LYS 66 -4.529 -10.827 -44.900 379 HG3 LYS 66 HG3 LYS 66 -5.630 -12.175 -44.613 380 HD2 LYS 66 HD2 LYS 66 -3.081 -11.970 -43.118 381 HD3 LYS 66 HD3 LYS 66 -4.466 -10.994 -42.632 382 HE2 LYS 66 HE2 LYS 66 -4.634 -12.922 -41.311 383 HE3 LYS 66 HE3 LYS 66 -5.777 -13.199 -42.619 384 HZ1 LYS 66 HZ1 LYS 66 -4.168 -14.616 -43.700 385 HZ2 LYS 66 HZ2 LYS 66 -4.439 -15.150 -42.127 386 HZ3 LYS 66 HZ3 LYS 66 -3.023 -14.305 -42.491 387 H CYS 67 H CYS 67 -5.516 -10.477 -47.214 388 HA CYS 67 HA CYS 67 -7.767 -12.145 -47.516 389 HB2 CYS 67 HB2 CYS 67 -7.918 -9.807 -46.732 390 HB3 CYS 67 HB3 CYS 67 -7.468 -9.264 -48.349 391 H GLN 68 H GLN 68 -8.519 -13.123 -49.223 392 HA GLN 68 HA GLN 68 -7.025 -12.794 -51.715 393 HB2 GLN 68 HB2 GLN 68 -8.836 -15.047 -50.859 394 HB3 GLN 68 HB3 GLN 68 -7.733 -15.039 -52.232 395 HG2 GLN 68 HG2 GLN 68 -5.824 -15.045 -50.817 396 HG3 GLN 68 HG3 GLN 68 -6.803 -14.723 -49.387 397 HE21 GLN 68 HE21 GLN 68 -6.100 -16.522 -48.305 398 HE22 GLN 68 HE22 GLN 68 -6.548 -18.124 -48.768 399 H SER 69 H SER 69 -9.562 -11.347 -50.557 400 HA SER 69 HA SER 69 -11.493 -11.893 -52.644 401 HB2 SER 69 HB2 SER 69 -12.138 -11.342 -50.251 402 HB3 SER 69 HB3 SER 69 -11.607 -9.690 -50.564 403 HG SER 69 HG SER 69 -13.667 -11.118 -51.894 404 H CYS 70 H CYS 70 -9.170 -9.361 -51.800 405 HA CYS 70 HA CYS 70 -9.951 -7.891 -54.208 406 HB2 CYS 70 HB2 CYS 70 -8.498 -6.074 -53.181 407 HB3 CYS 70 HB3 CYS 70 -10.002 -6.462 -52.355 408 H SER 71 H SER 71 -7.347 -9.741 -52.861 409 HA SER 71 HA SER 71 -5.311 -8.733 -54.570 410 HB2 SER 71 HB2 SER 71 -4.074 -10.807 -53.811 411 HB3 SER 71 HB3 SER 71 -4.626 -9.742 -52.519 412 HG SER 71 HG SER 71 -5.700 -11.351 -51.763 413 H THR 72 H THR 72 -4.132 -10.125 -56.120 414 HA THR 72 HA THR 72 -5.973 -11.159 -58.082 415 HB THR 72 HB THR 72 -3.912 -11.466 -59.458 416 HG1 THR 72 HG1 THR 72 -2.599 -10.260 -57.219 417 HG21 THR 72 HG21 THR 72 -4.220 -8.762 -58.148 418 HG22 THR 72 HG22 THR 72 -5.088 -9.339 -59.573 419 HG23 THR 72 HG23 THR 72 -3.343 -9.071 -59.646 420 H ALA 73 H ALA 73 -5.640 -13.242 -59.113 421 HA ALA 73 HA ALA 73 -4.941 -15.297 -57.147 422 HB1 ALA 73 HB1 ALA 73 -6.274 -16.802 -58.578 423 HB2 ALA 73 HB2 ALA 73 -6.599 -15.450 -59.662 424 HB3 ALA 73 HB3 ALA 73 -7.203 -15.418 -58.006 425 H CYS 74 H CYS 74 -3.887 -17.246 -57.958 426 HA CYS 74 HA CYS 74 -1.533 -16.780 -59.404 427 HB2 CYS 74 HB2 CYS 74 -2.241 -18.709 -57.743 428 HB3 CYS 74 HB3 CYS 74 -2.766 -19.509 -59.216 429 H LYS 75 H LYS 75 -0.969 -17.433 -61.566 430 HA LYS 75 HA LYS 75 -3.261 -17.362 -63.378 431 HB2 LYS 75 HB2 LYS 75 -0.304 -17.119 -63.951 432 HB3 LYS 75 HB3 LYS 75 -1.576 -16.976 -65.154 433 HG2 LYS 75 HG2 LYS 75 -1.394 -15.183 -62.756 434 HG3 LYS 75 HG3 LYS 75 -0.599 -14.826 -64.286 435 HD2 LYS 75 HD2 LYS 75 -2.720 -14.759 -65.427 436 HD3 LYS 75 HD3 LYS 75 -3.559 -15.306 -63.973 437 HE2 LYS 75 HE2 LYS 75 -3.780 -12.872 -64.328 438 HE3 LYS 75 HE3 LYS 75 -2.965 -13.266 -62.815 439 HZ1 LYS 75 HZ1 LYS 75 -1.869 -11.456 -64.001 440 HZ2 LYS 75 HZ2 LYS 75 -1.610 -12.462 -65.334 441 HZ3 LYS 75 HZ3 LYS 75 -0.844 -12.796 -63.864 442 H CYS 76 H CYS 76 -1.862 -19.722 -61.830 443 HA CYS 76 HA CYS 76 -1.342 -21.508 -64.031 444 HB2 CYS 76 HB2 CYS 76 -1.409 -22.054 -61.073 445 HB3 CYS 76 HB3 CYS 76 -0.787 -23.122 -62.332 446 H ALA 77 H ALA 77 -2.429 -23.500 -64.305 447 HA ALA 77 HA ALA 77 -5.226 -23.474 -63.390 448 HB1 ALA 77 HB1 ALA 77 -5.088 -22.673 -65.692 449 HB2 ALA 77 HB2 ALA 77 -5.890 -24.246 -65.608 450 HB3 ALA 77 HB3 ALA 77 -4.211 -24.136 -66.137 451 H ALA 78 H ALA 78 -6.198 -25.741 -64.184 452 HA ALA 78 HA ALA 78 -4.844 -27.700 -62.656 453 HB1 ALA 78 HB1 ALA 78 -7.286 -27.657 -62.884 454 HB2 ALA 78 HB2 ALA 78 -6.613 -29.213 -63.366 455 HB3 ALA 78 HB3 ALA 78 -7.128 -28.059 -64.595 456 H GLY 79 H GLY 79 -2.859 -28.128 -63.438 457 HA2 GLY 79 HA2 GLY 79 -1.663 -29.828 -64.639 458 HA3 GLY 79 HA3 GLY 79 -2.810 -29.636 -65.957 459 H SER 80 H SER 80 -1.658 -26.744 -64.502 460 HA SER 80 HA SER 80 0.574 -26.492 -66.313 461 HB2 SER 80 HB2 SER 80 -1.423 -25.831 -67.672 462 HB3 SER 80 HB3 SER 80 -1.729 -24.544 -66.507 463 HG SER 80 HG SER 80 0.594 -24.875 -68.104 464 H CYS 81 H CYS 81 2.094 -25.811 -64.986 465 HA CYS 81 HA CYS 81 1.451 -23.679 -63.062 466 HB2 CYS 81 HB2 CYS 81 2.069 -25.848 -62.028 467 HB3 CYS 81 HB3 CYS 81 3.606 -25.797 -62.882 468 H LYS 82 H LYS 82 2.699 -21.835 -63.112 469 HA LYS 82 HA LYS 82 4.695 -21.709 -65.290 470 HB2 LYS 82 HB2 LYS 82 2.917 -19.554 -64.154 471 HB3 LYS 82 HB3 LYS 82 4.263 -19.214 -65.225 472 HG2 LYS 82 HG2 LYS 82 2.223 -19.221 -66.482 473 HG3 LYS 82 HG3 LYS 82 3.194 -20.617 -66.952 474 HD2 LYS 82 HD2 LYS 82 1.842 -22.083 -65.652 475 HD3 LYS 82 HD3 LYS 82 0.990 -20.728 -64.912 476 HE2 LYS 82 HE2 LYS 82 -0.402 -21.743 -66.612 477 HE3 LYS 82 HE3 LYS 82 0.077 -20.125 -67.117 478 HZ1 LYS 82 HZ1 LYS 82 1.825 -21.164 -68.483 479 HZ2 LYS 82 HZ2 LYS 82 0.274 -21.635 -68.951 480 HZ3 LYS 82 HZ3 LYS 82 1.236 -22.689 -68.050 481 H CYS 83 H CYS 83 3.994 -20.131 -62.178 482 HA CYS 83 HA CYS 83 6.485 -18.960 -61.805 483 HB2 CYS 83 HB2 CYS 83 5.848 -18.859 -59.428 484 HB3 CYS 83 HB3 CYS 83 4.511 -18.391 -60.484 485 H GLY 84 H GLY 84 5.356 -22.206 -61.126 486 HA2 GLY 84 HA2 GLY 84 6.711 -24.111 -61.034 487 HA3 GLY 84 HA3 GLY 84 8.116 -23.073 -60.836 488 H LYS 85 H LYS 85 5.489 -22.296 -58.813 489 HA LYS 85 HA LYS 85 6.996 -23.319 -56.540 490 HB2 LYS 85 HB2 LYS 85 4.660 -21.414 -56.713 491 HB3 LYS 85 HB3 LYS 85 5.354 -21.959 -55.193 492 HG2 LYS 85 HG2 LYS 85 6.962 -20.559 -57.322 493 HG3 LYS 85 HG3 LYS 85 6.132 -19.707 -56.024 494 HD2 LYS 85 HD2 LYS 85 8.154 -21.899 -55.529 495 HD3 LYS 85 HD3 LYS 85 8.587 -20.193 -55.625 496 HE2 LYS 85 HE2 LYS 85 6.620 -21.399 -53.675 497 HE3 LYS 85 HE3 LYS 85 8.281 -20.945 -53.303 498 HZ1 LYS 85 HZ1 LYS 85 7.743 -18.653 -53.811 499 HZ2 LYS 85 HZ2 LYS 85 6.709 -19.241 -52.614 500 HZ3 LYS 85 HZ3 LYS 85 6.151 -19.069 -54.198 501 H GLY 86 H GLY 86 4.394 -24.236 -58.456 502 HA2 GLY 86 HA2 GLY 86 3.342 -26.313 -58.332 503 HA3 GLY 86 HA3 GLY 86 3.881 -26.471 -56.668 504 H CYS 87 H CYS 87 2.025 -23.876 -58.203 505 HA CYS 87 HA CYS 87 -0.248 -24.602 -56.500 506 HB2 CYS 87 HB2 CYS 87 -0.625 -22.018 -56.528 507 HB3 CYS 87 HB3 CYS 87 0.488 -22.750 -55.378 508 H THR 88 H THR 88 -1.304 -25.606 -58.209 509 HA THR 88 HA THR 88 -1.620 -24.257 -60.718 510 HB THR 88 HB THR 88 -3.141 -26.287 -61.180 511 HG1 THR 88 HG1 THR 88 -3.531 -27.031 -59.125 512 HG21 THR 88 HG21 THR 88 -1.190 -27.741 -61.542 513 HG22 THR 88 HG22 THR 88 -0.221 -26.706 -60.494 514 HG23 THR 88 HG23 THR 88 -0.839 -26.081 -62.023 515 H GLY 89 H GLY 89 -2.602 -22.504 -59.124 516 HA2 GLY 89 HA2 GLY 89 -4.824 -21.440 -59.857 517 HA3 GLY 89 HA3 GLY 89 -5.536 -22.837 -59.060 518 HA PRO 90 HA PRO 90 -4.647 -19.180 -56.097 519 HB2 PRO 90 HB2 PRO 90 -7.234 -18.526 -55.531 520 HB3 PRO 90 HB3 PRO 90 -6.303 -17.763 -56.823 521 HG2 PRO 90 HG2 PRO 90 -8.294 -19.990 -56.977 522 HG3 PRO 90 HG3 PRO 90 -8.116 -18.575 -58.036 523 HD2 PRO 90 HD2 PRO 90 -7.189 -21.003 -58.734 524 HD3 PRO 90 HD3 PRO 90 -6.337 -19.510 -59.185 525 H ASP 91 H ASP 91 -6.876 -21.850 -56.192 526 HA ASP 91 HA ASP 91 -7.426 -22.113 -53.439 527 HB2 ASP 91 HB2 ASP 91 -8.762 -23.239 -55.153 528 HB3 ASP 91 HB3 ASP 91 -7.369 -24.204 -55.627 529 H SER 92 H SER 92 -4.754 -23.065 -55.428 530 HA SER 92 HA SER 92 -3.542 -24.523 -53.197 531 HB2 SER 92 HB2 SER 92 -2.654 -24.410 -56.084 532 HB3 SER 92 HB3 SER 92 -2.067 -25.507 -54.832 533 HG SER 92 HG SER 92 -4.274 -26.290 -54.700 534 H CYS 93 H CYS 93 -3.408 -21.587 -54.939 535 HA CYS 93 HA CYS 93 -0.665 -20.999 -54.384 536 HB2 CYS 93 HB2 CYS 93 -1.792 -20.014 -56.328 537 HB3 CYS 93 HB3 CYS 93 -2.903 -19.169 -55.258 538 H LYS 94 H LYS 94 -0.230 -21.030 -52.303 539 HA LYS 94 HA LYS 94 -1.830 -19.337 -50.507 540 HB2 LYS 94 HB2 LYS 94 0.288 -21.392 -49.828 541 HB3 LYS 94 HB3 LYS 94 -0.709 -20.519 -48.675 542 HG2 LYS 94 HG2 LYS 94 -2.714 -21.600 -49.671 543 HG3 LYS 94 HG3 LYS 94 -1.638 -22.551 -50.694 544 HD2 LYS 94 HD2 LYS 94 -2.050 -23.998 -48.923 545 HD3 LYS 94 HD3 LYS 94 -0.528 -23.248 -48.446 546 HE2 LYS 94 HE2 LYS 94 -3.249 -22.321 -47.510 547 HE3 LYS 94 HE3 LYS 94 -2.221 -23.431 -46.612 548 HZ1 LYS 94 HZ1 LYS 94 -1.955 -21.224 -45.766 549 HZ2 LYS 94 HZ2 LYS 94 -1.592 -20.596 -47.283 550 HZ3 LYS 94 HZ3 LYS 94 -0.521 -21.668 -46.530 551 H CYS 95 H CYS 95 0.186 -18.549 -52.554 552 HA CYS 95 HA CYS 95 2.379 -17.481 -50.980 553 HB2 CYS 95 HB2 CYS 95 1.848 -17.222 -53.946 554 HB3 CYS 95 HB3 CYS 95 3.358 -16.880 -53.109 555 H ASP 96 H ASP 96 2.966 -15.192 -51.260 556 HA ASP 96 HA ASP 96 0.643 -13.457 -51.002 557 HB2 ASP 96 HB2 ASP 96 3.593 -12.756 -50.821 558 HB3 ASP 96 HB3 ASP 96 2.249 -11.742 -50.314 559 H ARG 97 H ARG 97 2.015 -11.073 -51.962 560 HA ARG 97 HA ARG 97 1.331 -11.182 -54.737 561 HB2 ARG 97 HB2 ARG 97 1.837 -8.875 -54.804 562 HB3 ARG 97 HB3 ARG 97 1.220 -9.138 -53.180 563 HG2 ARG 97 HG2 ARG 97 3.567 -9.229 -52.366 564 HG3 ARG 97 HG3 ARG 97 4.104 -8.828 -53.995 565 HD2 ARG 97 HD2 ARG 97 2.549 -6.791 -53.791 566 HD3 ARG 97 HD3 ARG 97 2.549 -7.126 -52.064 567 HE ARG 97 HE ARG 97 5.059 -6.711 -53.551 568 HH11 ARG 97 HH11 ARG 97 2.980 -5.895 -50.802 569 HH12 ARG 97 HH12 ARG 97 4.125 -4.770 -50.157 570 HH21 ARG 97 HH21 ARG 97 6.526 -5.225 -52.650 571 HH22 ARG 97 HH22 ARG 97 6.116 -4.386 -51.188 572 H SER 98 H SER 98 3.945 -12.259 -53.067 573 HA SER 98 HA SER 98 6.076 -11.576 -54.859 574 HB2 SER 98 HB2 SER 98 5.997 -13.676 -52.680 575 HB3 SER 98 HB3 SER 98 7.435 -12.961 -53.411 576 HG SER 98 HG SER 98 6.411 -12.111 -51.271 577 H CYS 99 H CYS 99 4.020 -12.692 -56.285 578 HA CYS 99 HA CYS 99 5.146 -15.284 -57.083 579 HB2 CYS 99 HB2 CYS 99 2.674 -15.048 -56.059 580 HB3 CYS 99 HB3 CYS 99 2.323 -14.632 -57.734 581 H SER 100 H SER 100 5.904 -15.307 -59.092 582 HA SER 100 HA SER 100 6.087 -12.987 -60.647 583 HB2 SER 100 HB2 SER 100 6.473 -15.835 -61.554 584 HB3 SER 100 HB3 SER 100 7.176 -14.390 -62.286 585 HG SER 100 HG SER 100 7.841 -14.315 -59.750 586 H CYS 101 H CYS 101 3.591 -15.296 -60.447 587 HA CYS 101 HA CYS 101 2.603 -15.028 -63.102 588 HB2 CYS 101 HB2 CYS 101 1.394 -16.145 -60.584 589 HB3 CYS 101 HB3 CYS 101 0.610 -16.217 -62.163 590 H LYS 102 H LYS 102 2.351 -13.052 -60.304 591 HA LYS 102 HA LYS 102 -0.260 -12.019 -60.859 592 HB2 LYS 102 HB2 LYS 102 1.912 -10.708 -59.231 593 HB3 LYS 102 HB3 LYS 102 0.187 -10.360 -59.170 594 HG2 LYS 102 HG2 LYS 102 1.635 -12.796 -58.183 595 HG3 LYS 102 HG3 LYS 102 0.707 -11.627 -57.250 596 HD2 LYS 102 HD2 LYS 102 -1.310 -12.399 -58.645 597 HD3 LYS 102 HD3 LYS 102 -0.295 -13.773 -59.107 598 HE2 LYS 102 HE2 LYS 102 -1.551 -14.486 -57.230 599 HE3 LYS 102 HE3 LYS 102 0.072 -14.145 -56.625 600 HZ1 LYS 102 HZ1 LYS 102 -0.776 -11.916 -55.911 601 HZ2 LYS 102 HZ2 LYS 102 -1.519 -13.210 -55.119 602 HZ3 LYS 102 HZ3 LYS 102 -2.327 -12.411 -56.367 Start of MODEL 16 1 HA2 GLY 1 HA2 GLY 1 10.390 -1.581 -15.411 2 HA3 GLY 1 HA3 GLY 1 11.190 -2.347 -16.775 3 H SER 2 H SER 2 9.070 -4.513 -16.654 4 HA SER 2 HA SER 2 6.649 -3.139 -17.388 5 HB2 SER 2 HB2 SER 2 6.598 -4.174 -19.679 6 HB3 SER 2 HB3 SER 2 7.813 -2.911 -19.483 7 HG SER 2 HG SER 2 9.398 -4.446 -19.383 8 H MET 3 H MET 3 4.865 -4.463 -17.371 9 HA MET 3 HA MET 3 5.345 -7.293 -16.731 10 HB2 MET 3 HB2 MET 3 3.312 -5.389 -15.564 11 HB3 MET 3 HB3 MET 3 3.167 -7.134 -15.413 12 HG2 MET 3 HG2 MET 3 5.291 -7.223 -14.231 13 HG3 MET 3 HG3 MET 3 5.476 -5.480 -14.412 14 HE1 MET 3 HE1 MET 3 5.619 -7.156 -11.640 15 HE2 MET 3 HE2 MET 3 4.761 -6.050 -10.567 16 HE3 MET 3 HE3 MET 3 5.911 -5.420 -11.746 17 H SER 4 H SER 4 4.929 -8.262 -18.595 18 HA SER 4 HA SER 4 2.757 -7.341 -20.284 19 HB2 SER 4 HB2 SER 4 4.746 -9.561 -20.793 20 HB3 SER 4 HB3 SER 4 3.730 -8.751 -21.980 21 HG SER 4 HG SER 4 5.193 -7.258 -22.138 22 H SER 5 H SER 5 3.507 -9.971 -18.124 23 HA SER 5 HA SER 5 1.373 -11.637 -19.157 24 HB2 SER 5 HB2 SER 5 3.244 -12.065 -16.819 25 HB3 SER 5 HB3 SER 5 2.097 -13.252 -17.441 26 HG SER 5 HG SER 5 4.255 -12.086 -18.869 27 H VAL 6 H VAL 6 -0.193 -9.866 -18.651 28 HA VAL 6 HA VAL 6 -1.211 -10.262 -15.925 29 HB VAL 6 HB VAL 6 -2.185 -7.958 -16.051 30 HG11 VAL 6 HG11 VAL 6 -0.152 -8.367 -14.776 31 HG12 VAL 6 HG12 VAL 6 -0.086 -6.783 -15.549 32 HG13 VAL 6 HG13 VAL 6 0.822 -8.134 -16.228 33 HG21 VAL 6 HG21 VAL 6 -0.387 -7.716 -18.461 34 HG22 VAL 6 HG22 VAL 6 -1.232 -6.383 -17.675 35 HG23 VAL 6 HG23 VAL 6 -2.151 -7.665 -18.463 36 H PHE 7 H PHE 7 -1.694 -11.178 -18.852 37 HA PHE 7 HA PHE 7 -3.406 -12.050 -20.053 38 HB2 PHE 7 HB2 PHE 7 -4.179 -12.864 -17.800 39 HB3 PHE 7 HB3 PHE 7 -5.227 -11.453 -17.730 40 HD1 PHE 7 HD1 PHE 7 -4.611 -14.665 -19.371 41 HD2 PHE 7 HD2 PHE 7 -7.220 -11.318 -19.083 42 HE1 PHE 7 HE1 PHE 7 -6.336 -15.906 -20.604 43 HE2 PHE 7 HE2 PHE 7 -8.950 -12.558 -20.316 44 HZ PHE 7 HZ PHE 7 -8.509 -14.854 -21.077 45 H GLY 8 H GLY 8 -4.851 -9.418 -18.307 46 HA2 GLY 8 HA2 GLY 8 -5.434 -8.097 -20.857 47 HA3 GLY 8 HA3 GLY 8 -6.775 -8.456 -19.777 48 H ALA 9 H ALA 9 -6.450 -5.893 -20.451 49 HA ALA 9 HA ALA 9 -6.335 -3.794 -19.632 50 HB1 ALA 9 HB1 ALA 9 -6.311 -3.423 -17.235 51 HB2 ALA 9 HB2 ALA 9 -5.827 -5.097 -16.962 52 HB3 ALA 9 HB3 ALA 9 -7.411 -4.738 -17.649 53 H GLY 10 H GLY 10 -3.718 -5.695 -19.878 54 HA2 GLY 10 HA2 GLY 10 -1.807 -3.762 -18.799 55 HA3 GLY 10 HA3 GLY 10 -1.421 -5.352 -19.450 56 H CYS 11 H CYS 11 -2.948 -2.366 -20.557 57 HA CYS 11 HA CYS 11 -2.046 -2.827 -23.234 58 HB2 CYS 11 HB2 CYS 11 -3.433 -0.455 -21.999 59 HB3 CYS 11 HB3 CYS 11 -3.142 -0.680 -23.723 60 H THR 12 H THR 12 -1.183 -0.748 -24.359 61 HA THR 12 HA THR 12 1.367 -0.227 -23.049 62 HB THR 12 HB THR 12 1.559 -1.319 -25.218 63 HG1 THR 12 HG1 THR 12 3.151 0.214 -24.811 64 HG21 THR 12 HG21 THR 12 -0.577 -0.646 -26.194 65 HG22 THR 12 HG22 THR 12 0.752 -0.239 -27.278 66 HG23 THR 12 HG23 THR 12 -0.013 1.020 -26.310 67 H ASP 13 H ASP 13 2.319 1.916 -23.484 68 HA ASP 13 HA ASP 13 0.583 3.972 -22.654 69 HB2 ASP 13 HB2 ASP 13 2.473 5.465 -22.907 70 HB3 ASP 13 HB3 ASP 13 3.038 3.940 -22.231 71 H THR 14 H THR 14 1.537 2.782 -25.757 72 HA THR 14 HA THR 14 0.834 5.045 -27.299 73 HB THR 14 HB THR 14 0.720 2.266 -28.405 74 HG1 THR 14 HG1 THR 14 3.045 3.676 -27.500 75 HG21 THR 14 HG21 THR 14 1.824 3.366 -30.299 76 HG22 THR 14 HG22 THR 14 1.881 4.874 -29.380 77 HG23 THR 14 HG23 THR 14 0.328 4.195 -29.863 78 H CYS 15 H CYS 15 -1.049 2.757 -25.680 79 HA CYS 15 HA CYS 15 -3.345 2.946 -27.435 80 HB2 CYS 15 HB2 CYS 15 -2.845 0.888 -26.186 81 HB3 CYS 15 HB3 CYS 15 -3.039 1.779 -24.670 82 H LYS 16 H LYS 16 -2.008 4.524 -24.727 83 HA LYS 16 HA LYS 16 -4.448 5.665 -23.733 84 HB2 LYS 16 HB2 LYS 16 -1.567 6.384 -23.140 85 HB3 LYS 16 HB3 LYS 16 -2.972 6.885 -22.206 86 HG2 LYS 16 HG2 LYS 16 -3.402 4.631 -21.514 87 HG3 LYS 16 HG3 LYS 16 -2.163 4.011 -22.602 88 HD2 LYS 16 HD2 LYS 16 -1.311 4.010 -20.373 89 HD3 LYS 16 HD3 LYS 16 -0.465 5.236 -21.314 90 HE2 LYS 16 HE2 LYS 16 -1.077 6.033 -19.037 91 HE3 LYS 16 HE3 LYS 16 -1.793 7.001 -20.323 92 HZ1 LYS 16 HZ1 LYS 16 -3.376 6.521 -18.567 93 HZ2 LYS 16 HZ2 LYS 16 -3.177 4.858 -18.799 94 HZ3 LYS 16 HZ3 LYS 16 -3.868 5.810 -20.018 95 H GLN 17 H GLN 17 -3.215 6.118 -26.560 96 HA GLN 17 HA GLN 17 -3.015 9.034 -26.573 97 HB2 GLN 17 HB2 GLN 17 -2.736 7.170 -28.923 98 HB3 GLN 17 HB3 GLN 17 -2.204 8.836 -28.809 99 HG2 GLN 17 HG2 GLN 17 -1.052 6.438 -27.441 100 HG3 GLN 17 HG3 GLN 17 -0.299 7.438 -28.680 101 HE21 GLN 17 HE21 GLN 17 -0.925 7.032 -25.352 102 HE22 GLN 17 HE22 GLN 17 -0.051 8.418 -24.807 103 H THR 18 H THR 18 -4.176 10.209 -28.262 104 HA THR 18 HA THR 18 -6.629 9.014 -29.278 105 HB THR 18 HB THR 18 -7.883 11.130 -28.418 106 HG1 THR 18 HG1 THR 18 -5.818 11.992 -27.539 107 HG21 THR 18 HG21 THR 18 -8.448 8.872 -27.678 108 HG22 THR 18 HG22 THR 18 -8.512 9.995 -26.319 109 HG23 THR 18 HG23 THR 18 -7.132 8.913 -26.505 110 HA PRO 19 HA PRO 19 -7.169 8.624 -31.188 111 HB2 PRO 19 HB2 PRO 19 -5.511 8.536 -33.608 112 HB3 PRO 19 HB3 PRO 19 -7.259 8.374 -33.435 113 HG2 PRO 19 HG2 PRO 19 -6.153 10.563 -34.547 114 HG3 PRO 19 HG3 PRO 19 -7.630 10.649 -33.572 115 HD2 PRO 19 HD2 PRO 19 -4.814 11.328 -32.816 116 HD3 PRO 19 HD3 PRO 19 -6.322 12.182 -32.427 117 H CYS 20 H CYS 20 -6.268 6.421 -31.371 118 HA CYS 20 HA CYS 20 -4.033 5.979 -29.773 119 HB2 CYS 20 HB2 CYS 20 -5.707 4.280 -31.529 120 HB3 CYS 20 HB3 CYS 20 -4.128 3.648 -31.104 121 H GLY 21 H GLY 21 -1.929 5.433 -30.146 122 HA2 GLY 21 HA2 GLY 21 -0.883 6.323 -32.727 123 HA3 GLY 21 HA3 GLY 21 0.063 5.974 -31.285 124 H CYS 22 H CYS 22 -2.022 3.510 -31.554 125 HA CYS 22 HA CYS 22 -0.068 1.617 -32.247 126 HB2 CYS 22 HB2 CYS 22 -3.061 1.264 -32.205 127 HB3 CYS 22 HB3 CYS 22 -1.842 0.002 -32.081 128 H GLY 23 H GLY 23 -3.159 2.172 -33.951 129 HA2 GLY 23 HA2 GLY 23 -3.584 2.311 -36.215 130 HA3 GLY 23 HA3 GLY 23 -1.850 2.279 -36.507 131 H SER 24 H SER 24 -0.990 0.471 -37.308 132 HA SER 24 HA SER 24 -2.768 -1.807 -37.646 133 HB2 SER 24 HB2 SER 24 -0.075 -1.220 -38.888 134 HB3 SER 24 HB3 SER 24 -1.120 -2.579 -39.300 135 HG SER 24 HG SER 24 -2.200 -0.005 -39.400 136 H GLY 25 H GLY 25 -0.248 -0.866 -35.571 137 HA2 GLY 25 HA2 GLY 25 0.000 -3.634 -34.675 138 HA3 GLY 25 HA3 GLY 25 1.468 -2.762 -35.086 139 H CYS 26 H CYS 26 -0.194 -3.785 -32.598 140 HA CYS 26 HA CYS 26 0.843 -1.668 -30.872 141 HB2 CYS 26 HB2 CYS 26 -1.175 -2.097 -29.370 142 HB3 CYS 26 HB3 CYS 26 -1.433 -1.119 -30.798 143 H ASN 27 H ASN 27 0.685 -2.515 -28.492 144 HA ASN 27 HA ASN 27 1.377 -5.373 -28.440 145 HB2 ASN 27 HB2 ASN 27 2.830 -3.043 -27.219 146 HB3 ASN 27 HB3 ASN 27 2.957 -4.648 -26.505 147 HD21 ASN 27 HD21 ASN 27 4.903 -2.880 -27.936 148 HD22 ASN 27 HD22 ASN 27 5.571 -3.890 -29.167 149 H CYS 28 H CYS 28 -1.139 -4.182 -27.950 150 HA CYS 28 HA CYS 28 -1.518 -4.104 -25.095 151 HB2 CYS 28 HB2 CYS 28 -3.543 -4.076 -27.327 152 HB3 CYS 28 HB3 CYS 28 -3.851 -3.695 -25.636 153 H LYS 29 H LYS 29 -3.526 -5.395 -24.336 154 HA LYS 29 HA LYS 29 -2.806 -8.175 -24.739 155 HB2 LYS 29 HB2 LYS 29 -4.803 -7.028 -22.795 156 HB3 LYS 29 HB3 LYS 29 -4.046 -8.612 -22.734 157 HG2 LYS 29 HG2 LYS 29 -2.725 -5.941 -22.275 158 HG3 LYS 29 HG3 LYS 29 -3.022 -7.208 -21.086 159 HD2 LYS 29 HD2 LYS 29 -1.181 -7.422 -23.475 160 HD3 LYS 29 HD3 LYS 29 -0.676 -7.174 -21.803 161 HE2 LYS 29 HE2 LYS 29 -1.603 -9.321 -21.165 162 HE3 LYS 29 HE3 LYS 29 -2.236 -9.562 -22.789 163 HZ1 LYS 29 HZ1 LYS 29 0.051 -9.555 -23.616 164 HZ2 LYS 29 HZ2 LYS 29 -0.214 -10.796 -22.500 165 HZ3 LYS 29 HZ3 LYS 29 0.628 -9.408 -22.032 166 H GLU 30 H GLU 30 -4.606 -9.791 -24.782 167 HA GLU 30 HA GLU 30 -6.182 -9.502 -27.061 168 HB2 GLU 30 HB2 GLU 30 -7.312 -11.567 -26.321 169 HB3 GLU 30 HB3 GLU 30 -5.563 -11.677 -26.186 170 HG2 GLU 30 HG2 GLU 30 -5.685 -11.309 -23.800 171 HG3 GLU 30 HG3 GLU 30 -7.427 -11.071 -23.901 172 H ASP 31 H ASP 31 -6.889 -8.810 -23.723 173 HA ASP 31 HA ASP 31 -9.709 -8.344 -24.278 174 HB2 ASP 31 HB2 ASP 31 -8.836 -9.542 -22.208 175 HB3 ASP 31 HB3 ASP 31 -8.285 -7.968 -21.646 176 H CYS 32 H CYS 32 -7.782 -6.631 -25.522 177 HA CYS 32 HA CYS 32 -7.537 -4.152 -24.206 178 HB2 CYS 32 HB2 CYS 32 -6.236 -4.757 -26.222 179 HB3 CYS 32 HB3 CYS 32 -7.708 -4.684 -27.182 180 H ARG 33 H ARG 33 -9.845 -5.159 -26.730 181 HA ARG 33 HA ARG 33 -11.997 -4.600 -27.169 182 HB2 ARG 33 HB2 ARG 33 -12.020 -3.737 -24.269 183 HB3 ARG 33 HB3 ARG 33 -13.442 -3.956 -25.274 184 HG2 ARG 33 HG2 ARG 33 -11.503 -6.101 -24.421 185 HG3 ARG 33 HG3 ARG 33 -13.146 -5.862 -23.822 186 HD2 ARG 33 HD2 ARG 33 -12.310 -6.649 -26.611 187 HD3 ARG 33 HD3 ARG 33 -13.165 -7.643 -25.432 188 HE ARG 33 HE ARG 33 -14.768 -5.465 -25.770 189 HH11 ARG 33 HH11 ARG 33 -13.468 -7.935 -27.901 190 HH12 ARG 33 HH12 ARG 33 -14.741 -7.788 -29.059 191 HH21 ARG 33 HH21 ARG 33 -16.462 -5.276 -27.301 192 HH22 ARG 33 HH22 ARG 33 -16.456 -6.263 -28.722 193 H CYS 34 H CYS 34 -9.989 -2.685 -27.805 194 HA CYS 34 HA CYS 34 -11.399 -0.174 -27.286 195 HB2 CYS 34 HB2 CYS 34 -8.977 -0.462 -26.531 196 HB3 CYS 34 HB3 CYS 34 -8.573 -0.405 -28.246 197 H GLN 35 H GLN 35 -12.414 0.732 -28.936 198 HA GLN 35 HA GLN 35 -12.610 -0.334 -31.493 199 HB2 GLN 35 HB2 GLN 35 -13.216 2.341 -30.311 200 HB3 GLN 35 HB3 GLN 35 -13.297 2.153 -32.053 201 HG2 GLN 35 HG2 GLN 35 -15.460 1.904 -30.833 202 HG3 GLN 35 HG3 GLN 35 -15.034 0.562 -31.892 203 HE21 GLN 35 HE21 GLN 35 -14.592 -1.415 -31.018 204 HE22 GLN 35 HE22 GLN 35 -14.900 -1.808 -29.361 205 H SER 36 H SER 36 -10.362 1.989 -30.206 206 HA SER 36 HA SER 36 -9.402 3.091 -32.561 207 HB2 SER 36 HB2 SER 36 -7.906 2.689 -29.989 208 HB3 SER 36 HB3 SER 36 -7.571 3.882 -31.243 209 HG SER 36 HG SER 36 -8.789 4.681 -29.429 210 H CYS 37 H CYS 37 -8.386 0.137 -30.892 211 HA CYS 37 HA CYS 37 -6.731 -0.470 -33.238 212 HB2 CYS 37 HB2 CYS 37 -5.191 -1.703 -31.580 213 HB3 CYS 37 HB3 CYS 37 -5.087 0.052 -31.641 214 H LYS 38 H LYS 38 -9.416 -1.184 -32.697 215 HA LYS 38 HA LYS 38 -9.563 -3.870 -31.702 216 HB2 LYS 38 HB2 LYS 38 -11.380 -1.803 -32.423 217 HB3 LYS 38 HB3 LYS 38 -11.836 -3.247 -33.313 218 HG2 LYS 38 HG2 LYS 38 -11.471 -3.080 -30.320 219 HG3 LYS 38 HG3 LYS 38 -13.017 -2.999 -31.164 220 HD2 LYS 38 HD2 LYS 38 -11.104 -5.334 -31.253 221 HD3 LYS 38 HD3 LYS 38 -12.549 -5.242 -30.247 222 HE2 LYS 38 HE2 LYS 38 -13.953 -5.099 -32.214 223 HE3 LYS 38 HE3 LYS 38 -12.534 -5.062 -33.259 224 HZ1 LYS 38 HZ1 LYS 38 -13.338 -7.322 -31.517 225 HZ2 LYS 38 HZ2 LYS 38 -11.976 -7.283 -32.511 226 HZ3 LYS 38 HZ3 LYS 38 -13.516 -7.250 -33.196 227 H TYR 39 H TYR 39 -8.762 -2.470 -34.684 228 HA TYR 39 HA TYR 39 -9.408 -4.850 -36.207 229 HB2 TYR 39 HB2 TYR 39 -8.145 -3.437 -38.034 230 HB3 TYR 39 HB3 TYR 39 -9.808 -3.097 -37.607 231 HD1 TYR 39 HD1 TYR 39 -6.317 -2.015 -37.125 232 HD2 TYR 39 HD2 TYR 39 -10.409 -0.982 -36.655 233 HE1 TYR 39 HE1 TYR 39 -5.666 0.299 -36.626 234 HE2 TYR 39 HE2 TYR 39 -9.770 1.339 -36.149 235 HH TYR 39 HH TYR 39 -7.604 2.456 -35.166 236 H GLY 40 H GLY 40 -8.059 -6.371 -36.752 237 HA2 GLY 40 HA2 GLY 40 -5.426 -6.371 -35.559 238 HA3 GLY 40 HA3 GLY 40 -6.186 -7.705 -36.418 239 H ALA 41 H ALA 41 -3.517 -6.172 -36.543 240 HA ALA 41 HA ALA 41 -1.953 -5.675 -38.089 241 HB1 ALA 41 HB1 ALA 41 -2.027 -6.815 -40.208 242 HB2 ALA 41 HB2 ALA 41 -3.760 -7.091 -40.044 243 HB3 ALA 41 HB3 ALA 41 -2.632 -7.893 -38.952 244 H GLY 42 H GLY 42 -4.540 -3.993 -37.819 245 HA2 GLY 42 HA2 GLY 42 -5.233 -1.945 -38.628 246 HA3 GLY 42 HA3 GLY 42 -3.747 -1.905 -39.558 247 H CYS 43 H CYS 43 -6.550 -4.101 -39.662 248 HA CYS 43 HA CYS 43 -6.611 -3.604 -42.550 249 HB2 CYS 43 HB2 CYS 43 -6.297 -5.980 -41.435 250 HB3 CYS 43 HB3 CYS 43 -8.051 -5.902 -41.291 251 H THR 44 H THR 44 -8.814 -3.740 -43.551 252 HA THR 44 HA THR 44 -10.521 -1.931 -42.073 253 HB THR 44 HB THR 44 -11.767 -1.790 -44.253 254 HG1 THR 44 HG1 THR 44 -10.669 -2.725 -46.071 255 HG21 THR 44 HG21 THR 44 -10.023 -0.171 -43.658 256 HG22 THR 44 HG22 THR 44 -10.020 -0.497 -45.391 257 HG23 THR 44 HG23 THR 44 -8.797 -1.232 -44.353 258 H ASP 45 H ASP 45 -12.792 -2.202 -41.953 259 HA ASP 45 HA ASP 45 -13.622 -4.836 -41.196 260 HB2 ASP 45 HB2 ASP 45 -14.454 -2.870 -40.008 261 HB3 ASP 45 HB3 ASP 45 -15.162 -2.250 -41.490 262 H VAL 46 H VAL 46 -13.733 -2.905 -44.013 263 HA VAL 46 HA VAL 46 -15.919 -4.107 -45.336 264 HB VAL 46 HB VAL 46 -13.510 -2.786 -46.617 265 HG11 VAL 46 HG11 VAL 46 -16.346 -3.116 -47.583 266 HG12 VAL 46 HG12 VAL 46 -14.936 -3.985 -48.188 267 HG13 VAL 46 HG13 VAL 46 -15.063 -2.241 -48.420 268 HG21 VAL 46 HG21 VAL 46 -14.820 -0.705 -46.501 269 HG22 VAL 46 HG22 VAL 46 -14.453 -1.344 -44.894 270 HG23 VAL 46 HG23 VAL 46 -16.062 -1.558 -45.579 271 H CYS 47 H CYS 47 -12.576 -5.004 -44.939 272 HA CYS 47 HA CYS 47 -12.646 -7.076 -46.923 273 HB2 CYS 47 HB2 CYS 47 -10.526 -5.982 -46.275 274 HB3 CYS 47 HB3 CYS 47 -10.711 -6.593 -44.637 275 H LYS 48 H LYS 48 -13.357 -6.723 -43.534 276 HA LYS 48 HA LYS 48 -13.473 -9.531 -42.958 277 HB2 LYS 48 HB2 LYS 48 -14.513 -7.183 -41.378 278 HB3 LYS 48 HB3 LYS 48 -14.288 -8.823 -40.775 279 HG2 LYS 48 HG2 LYS 48 -11.917 -8.664 -41.105 280 HG3 LYS 48 HG3 LYS 48 -12.104 -7.074 -41.844 281 HD2 LYS 48 HD2 LYS 48 -12.952 -6.193 -39.733 282 HD3 LYS 48 HD3 LYS 48 -12.774 -7.787 -38.992 283 HE2 LYS 48 HE2 LYS 48 -10.540 -6.164 -40.201 284 HE3 LYS 48 HE3 LYS 48 -10.877 -6.288 -38.481 285 HZ1 LYS 48 HZ1 LYS 48 -9.126 -7.822 -39.081 286 HZ2 LYS 48 HZ2 LYS 48 -10.072 -8.501 -40.294 287 HZ3 LYS 48 HZ3 LYS 48 -10.507 -8.709 -38.674 288 H GLN 49 H GLN 49 -15.396 -7.695 -44.794 289 HA GLN 49 HA GLN 49 -18.017 -8.359 -43.959 290 HB2 GLN 49 HB2 GLN 49 -16.936 -7.737 -46.705 291 HB3 GLN 49 HB3 GLN 49 -18.642 -7.861 -46.311 292 HG2 GLN 49 HG2 GLN 49 -16.807 -5.929 -44.957 293 HG3 GLN 49 HG3 GLN 49 -17.654 -5.553 -46.455 294 HE21 GLN 49 HE21 GLN 49 -17.854 -4.325 -43.836 295 HE22 GLN 49 HE22 GLN 49 -19.508 -4.452 -43.372 296 H THR 50 H THR 50 -19.452 -9.865 -45.100 297 HA THR 50 HA THR 50 -18.212 -12.010 -46.588 298 HB THR 50 HB THR 50 -19.765 -12.612 -44.050 299 HG1 THR 50 HG1 THR 50 -17.223 -11.986 -44.375 300 HG21 THR 50 HG21 THR 50 -18.345 -14.446 -45.996 301 HG22 THR 50 HG22 THR 50 -20.093 -14.270 -45.846 302 HG23 THR 50 HG23 THR 50 -19.157 -14.945 -44.511 303 HA PRO 51 HA PRO 51 -18.508 -12.687 -48.525 304 HB2 PRO 51 HB2 PRO 51 -19.022 -11.385 -50.862 305 HB3 PRO 51 HB3 PRO 51 -19.684 -12.981 -50.482 306 HG2 PRO 51 HG2 PRO 51 -20.969 -10.290 -50.221 307 HG3 PRO 51 HG3 PRO 51 -21.643 -11.789 -50.884 308 HD2 PRO 51 HD2 PRO 51 -22.222 -10.971 -48.394 309 HD3 PRO 51 HD3 PRO 51 -22.033 -12.690 -48.787 310 H CYS 52 H CYS 52 -16.697 -11.496 -49.367 311 HA CYS 52 HA CYS 52 -16.010 -9.339 -47.759 312 HB2 CYS 52 HB2 CYS 52 -14.438 -10.894 -48.915 313 HB3 CYS 52 HB3 CYS 52 -14.774 -10.006 -50.403 314 H GLY 53 H GLY 53 -15.829 -7.154 -48.074 315 HA2 GLY 53 HA2 GLY 53 -17.629 -6.129 -50.114 316 HA3 GLY 53 HA3 GLY 53 -17.082 -5.255 -48.687 317 H CYS 54 H CYS 54 -14.299 -6.493 -49.639 318 HA CYS 54 HA CYS 54 -13.376 -4.110 -50.842 319 HB2 CYS 54 HB2 CYS 54 -12.159 -6.846 -50.588 320 HB3 CYS 54 HB3 CYS 54 -11.318 -5.509 -51.366 321 H ALA 55 H ALA 55 -15.065 -6.724 -52.105 322 HA ALA 55 HA ALA 55 -14.193 -6.188 -54.857 323 HB1 ALA 55 HB1 ALA 55 -15.862 -8.430 -53.740 324 HB2 ALA 55 HB2 ALA 55 -14.147 -8.528 -54.142 325 HB3 ALA 55 HB3 ALA 55 -15.341 -8.270 -55.417 326 H THR 56 H THR 56 -16.106 -4.746 -52.925 327 HA THR 56 HA THR 56 -18.249 -4.393 -54.892 328 HB THR 56 HB THR 56 -18.689 -4.690 -51.913 329 HG1 THR 56 HG1 THR 56 -18.812 -6.405 -54.090 330 HG21 THR 56 HG21 THR 56 -20.686 -4.278 -54.150 331 HG22 THR 56 HG22 THR 56 -20.236 -3.070 -52.946 332 HG23 THR 56 HG23 THR 56 -21.074 -4.539 -52.451 333 H SER 57 H SER 57 -16.520 -3.055 -52.088 334 HA SER 57 HA SER 57 -17.402 -0.379 -52.958 335 HB2 SER 57 HB2 SER 57 -16.754 -1.363 -50.173 336 HB3 SER 57 HB3 SER 57 -17.088 0.319 -50.587 337 HG SER 57 HG SER 57 -19.121 -0.603 -51.509 338 H GLY 58 H GLY 58 -15.032 -1.973 -53.792 339 HA2 GLY 58 HA2 GLY 58 -12.954 -1.165 -54.503 340 HA3 GLY 58 HA3 GLY 58 -13.085 0.139 -53.329 341 H CYS 59 H CYS 59 -10.730 -1.172 -53.567 342 HA CYS 59 HA CYS 59 -10.699 -2.986 -51.261 343 HB2 CYS 59 HB2 CYS 59 -10.029 -3.990 -53.425 344 HB3 CYS 59 HB3 CYS 59 -8.725 -2.813 -53.537 345 H ASN 60 H ASN 60 -9.259 -2.617 -49.619 346 HA ASN 60 HA ASN 60 -7.870 -0.021 -49.717 347 HB2 ASN 60 HB2 ASN 60 -9.048 -1.543 -47.405 348 HB3 ASN 60 HB3 ASN 60 -7.908 -0.226 -47.169 349 HD21 ASN 60 HD21 ASN 60 -8.520 1.865 -47.698 350 HD22 ASN 60 HD22 ASN 60 -10.176 2.306 -47.911 351 H CYS 61 H CYS 61 -7.464 -3.412 -48.889 352 HA CYS 61 HA CYS 61 -4.711 -2.909 -48.103 353 HB2 CYS 61 HB2 CYS 61 -4.806 -5.408 -47.554 354 HB3 CYS 61 HB3 CYS 61 -5.797 -4.330 -46.585 355 H THR 62 H THR 62 -3.697 -5.516 -48.903 356 HA THR 62 HA THR 62 -3.544 -5.038 -51.799 357 HB THR 62 HB THR 62 -1.167 -5.783 -51.658 358 HG1 THR 62 HG1 THR 62 -1.468 -5.363 -48.853 359 HG21 THR 62 HG21 THR 62 -1.925 -3.352 -50.034 360 HG22 THR 62 HG22 THR 62 -1.686 -3.408 -51.780 361 HG23 THR 62 HG23 THR 62 -0.322 -3.669 -50.692 362 H ASP 63 H ASP 63 -2.291 -6.965 -52.834 363 HA ASP 63 HA ASP 63 -3.898 -9.300 -52.641 364 HB2 ASP 63 HB2 ASP 63 -2.871 -8.511 -54.741 365 HB3 ASP 63 HB3 ASP 63 -1.272 -8.805 -54.087 366 H ASP 64 H ASP 64 -1.510 -8.247 -50.650 367 HA ASP 64 HA ASP 64 -0.147 -10.737 -50.106 368 HB2 ASP 64 HB2 ASP 64 1.085 -8.679 -49.793 369 HB3 ASP 64 HB3 ASP 64 -0.135 -8.062 -48.687 370 H CYS 65 H CYS 65 -3.017 -9.169 -49.058 371 HA CYS 65 HA CYS 65 -3.175 -10.173 -46.426 372 HB2 CYS 65 HB2 CYS 65 -4.575 -8.303 -47.510 373 HB3 CYS 65 HB3 CYS 65 -5.575 -9.598 -48.154 374 H LYS 66 H LYS 66 -4.456 -11.894 -45.581 375 HA LYS 66 HA LYS 66 -4.109 -14.366 -46.901 376 HB2 LYS 66 HB2 LYS 66 -5.237 -15.371 -45.076 377 HB3 LYS 66 HB3 LYS 66 -4.315 -14.027 -44.419 378 HG2 LYS 66 HG2 LYS 66 -6.211 -12.753 -44.013 379 HG3 LYS 66 HG3 LYS 66 -7.187 -13.661 -45.168 380 HD2 LYS 66 HD2 LYS 66 -7.866 -14.241 -42.928 381 HD3 LYS 66 HD3 LYS 66 -7.048 -15.616 -43.680 382 HE2 LYS 66 HE2 LYS 66 -5.053 -15.213 -42.452 383 HE3 LYS 66 HE3 LYS 66 -5.644 -13.657 -41.876 384 HZ1 LYS 66 HZ1 LYS 66 -5.773 -15.413 -40.189 385 HZ2 LYS 66 HZ2 LYS 66 -6.835 -16.283 -41.177 386 HZ3 LYS 66 HZ3 LYS 66 -7.294 -14.777 -40.567 387 H CYS 67 H CYS 67 -6.592 -12.034 -47.110 388 HA CYS 67 HA CYS 67 -8.681 -13.847 -47.751 389 HB2 CYS 67 HB2 CYS 67 -8.920 -11.525 -46.746 390 HB3 CYS 67 HB3 CYS 67 -8.661 -10.915 -48.379 391 H GLN 68 H GLN 68 -9.044 -14.794 -49.580 392 HA GLN 68 HA GLN 68 -7.560 -14.012 -51.970 393 HB2 GLN 68 HB2 GLN 68 -9.241 -16.451 -51.365 394 HB3 GLN 68 HB3 GLN 68 -8.292 -16.204 -52.824 395 HG2 GLN 68 HG2 GLN 68 -6.257 -16.351 -51.646 396 HG3 GLN 68 HG3 GLN 68 -7.066 -16.212 -50.087 397 HE21 GLN 68 HE21 GLN 68 -8.094 -17.989 -49.227 398 HE22 GLN 68 HE22 GLN 68 -7.846 -19.590 -49.830 399 H SER 69 H SER 69 -10.203 -12.906 -50.695 400 HA SER 69 HA SER 69 -12.090 -13.306 -52.839 401 HB2 SER 69 HB2 SER 69 -12.262 -11.460 -50.451 402 HB3 SER 69 HB3 SER 69 -13.591 -11.938 -51.507 403 HG SER 69 HG SER 69 -12.040 -13.767 -49.970 404 H CYS 70 H CYS 70 -10.141 -10.604 -51.571 405 HA CYS 70 HA CYS 70 -10.931 -8.982 -53.856 406 HB2 CYS 70 HB2 CYS 70 -9.486 -7.258 -52.588 407 HB3 CYS 70 HB3 CYS 70 -11.051 -7.718 -51.925 408 H SER 71 H SER 71 -8.209 -10.750 -52.625 409 HA SER 71 HA SER 71 -6.170 -9.582 -54.146 410 HB2 SER 71 HB2 SER 71 -6.398 -12.430 -53.148 411 HB3 SER 71 HB3 SER 71 -4.910 -11.633 -53.670 412 HG SER 71 HG SER 71 -6.091 -11.557 -51.263 413 H THR 72 H THR 72 -4.927 -10.987 -55.848 414 HA THR 72 HA THR 72 -6.919 -11.466 -57.943 415 HB THR 72 HB THR 72 -5.129 -9.686 -58.255 416 HG1 THR 72 HG1 THR 72 -6.127 -10.366 -60.091 417 HG21 THR 72 HG21 THR 72 -3.239 -10.886 -57.306 418 HG22 THR 72 HG22 THR 72 -2.915 -10.456 -58.987 419 HG23 THR 72 HG23 THR 72 -3.368 -12.109 -58.569 420 H ALA 73 H ALA 73 -5.591 -12.943 -59.748 421 HA ALA 73 HA ALA 73 -5.044 -15.468 -58.333 422 HB1 ALA 73 HB1 ALA 73 -7.220 -15.546 -59.398 423 HB2 ALA 73 HB2 ALA 73 -6.107 -16.610 -60.257 424 HB3 ALA 73 HB3 ALA 73 -6.516 -15.035 -60.930 425 H CYS 74 H CYS 74 -3.640 -16.963 -59.493 426 HA CYS 74 HA CYS 74 -1.548 -15.551 -60.915 427 HB2 CYS 74 HB2 CYS 74 -1.411 -17.515 -59.053 428 HB3 CYS 74 HB3 CYS 74 -1.338 -18.478 -60.522 429 H LYS 75 H LYS 75 -0.828 -16.165 -63.014 430 HA LYS 75 HA LYS 75 -3.051 -17.138 -64.640 431 HB2 LYS 75 HB2 LYS 75 -0.496 -15.811 -65.539 432 HB3 LYS 75 HB3 LYS 75 -1.903 -16.143 -66.530 433 HG2 LYS 75 HG2 LYS 75 -1.734 -14.203 -64.229 434 HG3 LYS 75 HG3 LYS 75 -1.845 -13.805 -65.939 435 HD2 LYS 75 HD2 LYS 75 -3.988 -15.287 -64.401 436 HD3 LYS 75 HD3 LYS 75 -3.987 -13.547 -64.654 437 HE2 LYS 75 HE2 LYS 75 -5.391 -14.328 -66.330 438 HE3 LYS 75 HE3 LYS 75 -3.852 -14.137 -67.166 439 HZ1 LYS 75 HZ1 LYS 75 -4.818 -16.706 -66.048 440 HZ2 LYS 75 HZ2 LYS 75 -3.498 -16.478 -67.082 441 HZ3 LYS 75 HZ3 LYS 75 -5.068 -16.231 -67.643 442 H CYS 76 H CYS 76 -0.961 -18.813 -63.132 443 HA CYS 76 HA CYS 76 0.273 -20.304 -65.283 444 HB2 CYS 76 HB2 CYS 76 0.262 -20.677 -62.292 445 HB3 CYS 76 HB3 CYS 76 1.026 -21.806 -63.401 446 H ALA 77 H ALA 77 0.050 -22.717 -65.318 447 HA ALA 77 HA ALA 77 -2.716 -23.528 -64.733 448 HB1 ALA 77 HB1 ALA 77 -1.092 -24.282 -67.153 449 HB2 ALA 77 HB2 ALA 77 -2.419 -23.117 -67.145 450 HB3 ALA 77 HB3 ALA 77 -2.731 -24.820 -66.793 451 H ALA 78 H ALA 78 -2.762 -26.078 -65.051 452 HA ALA 78 HA ALA 78 -1.138 -27.088 -62.976 453 HB1 ALA 78 HB1 ALA 78 -2.798 -28.630 -64.966 454 HB2 ALA 78 HB2 ALA 78 -3.398 -27.933 -63.462 455 HB3 ALA 78 HB3 ALA 78 -2.197 -29.222 -63.418 456 H GLY 79 H GLY 79 0.990 -26.917 -63.448 457 HA2 GLY 79 HA2 GLY 79 2.837 -28.387 -63.982 458 HA3 GLY 79 HA3 GLY 79 1.984 -28.830 -65.455 459 H SER 80 H SER 80 1.888 -25.507 -64.645 460 HA SER 80 HA SER 80 4.221 -24.900 -66.257 461 HB2 SER 80 HB2 SER 80 2.814 -23.337 -67.648 462 HB3 SER 80 HB3 SER 80 2.515 -25.052 -67.920 463 HG SER 80 HG SER 80 0.650 -23.566 -67.617 464 H CYS 81 H CYS 81 5.320 -23.480 -65.087 465 HA CYS 81 HA CYS 81 3.855 -21.407 -63.616 466 HB2 CYS 81 HB2 CYS 81 6.480 -22.773 -63.024 467 HB3 CYS 81 HB3 CYS 81 5.974 -21.297 -62.232 468 H LYS 82 H LYS 82 3.933 -19.584 -64.863 469 HA LYS 82 HA LYS 82 6.064 -19.055 -66.674 470 HB2 LYS 82 HB2 LYS 82 3.877 -17.269 -65.604 471 HB3 LYS 82 HB3 LYS 82 5.098 -16.685 -66.718 472 HG2 LYS 82 HG2 LYS 82 3.502 -17.186 -68.226 473 HG3 LYS 82 HG3 LYS 82 4.234 -18.786 -68.118 474 HD2 LYS 82 HD2 LYS 82 2.553 -19.443 -66.477 475 HD3 LYS 82 HD3 LYS 82 1.832 -17.834 -66.566 476 HE2 LYS 82 HE2 LYS 82 0.571 -19.412 -67.922 477 HE3 LYS 82 HE3 LYS 82 1.335 -18.192 -68.938 478 HZ1 LYS 82 HZ1 LYS 82 3.030 -19.765 -69.549 479 HZ2 LYS 82 HZ2 LYS 82 1.521 -20.465 -69.828 480 HZ3 LYS 82 HZ3 LYS 82 2.422 -20.918 -68.479 481 H CYS 83 H CYS 83 5.219 -17.745 -63.542 482 HA CYS 83 HA CYS 83 7.499 -16.087 -63.307 483 HB2 CYS 83 HB2 CYS 83 6.802 -16.085 -60.889 484 HB3 CYS 83 HB3 CYS 83 5.525 -15.631 -62.019 485 H GLY 84 H GLY 84 6.675 -19.353 -62.242 486 HA2 GLY 84 HA2 GLY 84 8.248 -21.131 -62.152 487 HA3 GLY 84 HA3 GLY 84 9.534 -19.950 -61.974 488 H LYS 85 H LYS 85 6.591 -19.880 -60.010 489 HA LYS 85 HA LYS 85 8.200 -20.092 -57.650 490 HB2 LYS 85 HB2 LYS 85 6.624 -18.465 -57.363 491 HB3 LYS 85 HB3 LYS 85 5.438 -19.281 -58.367 492 HG2 LYS 85 HG2 LYS 85 4.526 -19.417 -56.291 493 HG3 LYS 85 HG3 LYS 85 5.326 -20.974 -56.509 494 HD2 LYS 85 HD2 LYS 85 5.823 -20.212 -54.255 495 HD3 LYS 85 HD3 LYS 85 7.295 -20.056 -55.220 496 HE2 LYS 85 HE2 LYS 85 6.835 -17.675 -55.547 497 HE3 LYS 85 HE3 LYS 85 5.347 -17.829 -54.620 498 HZ1 LYS 85 HZ1 LYS 85 7.078 -16.924 -53.264 499 HZ2 LYS 85 HZ2 LYS 85 8.101 -18.222 -53.598 500 HZ3 LYS 85 HZ3 LYS 85 6.692 -18.467 -52.698 501 H GLY 86 H GLY 86 5.726 -21.943 -59.357 502 HA2 GLY 86 HA2 GLY 86 5.856 -24.361 -59.244 503 HA3 GLY 86 HA3 GLY 86 6.299 -24.204 -57.549 504 H CYS 87 H CYS 87 3.945 -21.977 -58.349 505 HA CYS 87 HA CYS 87 1.970 -23.260 -56.748 506 HB2 CYS 87 HB2 CYS 87 0.614 -21.234 -57.654 507 HB3 CYS 87 HB3 CYS 87 1.960 -20.953 -56.552 508 H THR 88 H THR 88 2.495 -22.795 -60.169 509 HA THR 88 HA THR 88 1.449 -23.495 -62.033 510 HB THR 88 HB THR 88 0.554 -25.880 -61.960 511 HG1 THR 88 HG1 THR 88 0.555 -25.458 -59.373 512 HG21 THR 88 HG21 THR 88 3.350 -25.363 -60.951 513 HG22 THR 88 HG22 THR 88 2.832 -25.352 -62.636 514 HG23 THR 88 HG23 THR 88 2.793 -26.854 -61.712 515 H GLY 89 H GLY 89 -0.154 -21.717 -60.667 516 HA2 GLY 89 HA2 GLY 89 -2.340 -21.262 -61.832 517 HA3 GLY 89 HA3 GLY 89 -2.835 -22.830 -61.217 518 HA PRO 90 HA PRO 90 -3.698 -19.264 -58.170 519 HB2 PRO 90 HB2 PRO 90 -6.364 -19.001 -58.525 520 HB3 PRO 90 HB3 PRO 90 -5.184 -18.098 -59.485 521 HG2 PRO 90 HG2 PRO 90 -6.645 -20.621 -60.178 522 HG3 PRO 90 HG3 PRO 90 -6.418 -19.163 -61.167 523 HD2 PRO 90 HD2 PRO 90 -4.891 -21.353 -61.501 524 HD3 PRO 90 HD3 PRO 90 -4.228 -19.713 -61.692 525 H ASP 91 H ASP 91 -4.973 -22.336 -58.995 526 HA ASP 91 HA ASP 91 -6.607 -22.779 -56.714 527 HB2 ASP 91 HB2 ASP 91 -6.856 -24.061 -58.806 528 HB3 ASP 91 HB3 ASP 91 -5.276 -24.784 -58.547 529 H SER 92 H SER 92 -3.225 -23.332 -57.465 530 HA SER 92 HA SER 92 -2.851 -24.302 -54.723 531 HB2 SER 92 HB2 SER 92 -1.040 -24.691 -57.113 532 HB3 SER 92 HB3 SER 92 -0.807 -25.376 -55.503 533 HG SER 92 HG SER 92 -2.688 -26.034 -57.479 534 H CYS 93 H CYS 93 -2.671 -21.513 -56.389 535 HA CYS 93 HA CYS 93 -0.101 -20.590 -55.554 536 HB2 CYS 93 HB2 CYS 93 -1.272 -19.598 -57.509 537 HB3 CYS 93 HB3 CYS 93 -2.488 -18.941 -56.420 538 H LYS 94 H LYS 94 0.088 -20.921 -53.431 539 HA LYS 94 HA LYS 94 -1.686 -19.411 -51.654 540 HB2 LYS 94 HB2 LYS 94 -0.579 -20.809 -49.852 541 HB3 LYS 94 HB3 LYS 94 -1.622 -21.675 -50.967 542 HG2 LYS 94 HG2 LYS 94 0.384 -22.423 -52.213 543 HG3 LYS 94 HG3 LYS 94 1.395 -21.617 -51.012 544 HD2 LYS 94 HD2 LYS 94 -0.577 -23.835 -50.421 545 HD3 LYS 94 HD3 LYS 94 1.168 -24.044 -50.583 546 HE2 LYS 94 HE2 LYS 94 1.546 -22.573 -48.685 547 HE3 LYS 94 HE3 LYS 94 -0.181 -22.263 -48.553 548 HZ1 LYS 94 HZ1 LYS 94 0.514 -23.872 -46.930 549 HZ2 LYS 94 HZ2 LYS 94 1.167 -24.872 -48.127 550 HZ3 LYS 94 HZ3 LYS 94 -0.505 -24.619 -48.055 551 H CYS 95 H CYS 95 0.401 -18.423 -53.368 552 HA CYS 95 HA CYS 95 2.509 -17.549 -51.563 553 HB2 CYS 95 HB2 CYS 95 2.182 -16.875 -54.474 554 HB3 CYS 95 HB3 CYS 95 3.654 -16.846 -53.507 555 H ASP 96 H ASP 96 3.143 -15.197 -51.858 556 HA ASP 96 HA ASP 96 0.770 -13.605 -51.368 557 HB2 ASP 96 HB2 ASP 96 2.268 -11.943 -50.441 558 HB3 ASP 96 HB3 ASP 96 2.683 -13.522 -49.789 559 H ARG 97 H ARG 97 1.798 -11.101 -52.028 560 HA ARG 97 HA ARG 97 0.961 -11.005 -54.773 561 HB2 ARG 97 HB2 ARG 97 0.877 -8.625 -54.459 562 HB3 ARG 97 HB3 ARG 97 0.228 -9.402 -53.019 563 HG2 ARG 97 HG2 ARG 97 2.424 -9.075 -51.918 564 HG3 ARG 97 HG3 ARG 97 2.950 -8.165 -53.333 565 HD2 ARG 97 HD2 ARG 97 0.874 -6.716 -52.930 566 HD3 ARG 97 HD3 ARG 97 0.820 -7.463 -51.334 567 HE ARG 97 HE ARG 97 3.167 -5.991 -52.345 568 HH11 ARG 97 HH11 ARG 97 0.839 -6.584 -49.773 569 HH12 ARG 97 HH12 ARG 97 1.695 -5.634 -48.616 570 HH21 ARG 97 HH21 ARG 97 4.262 -4.687 -50.794 571 HH22 ARG 97 HH22 ARG 97 3.628 -4.542 -49.194 572 H SER 98 H SER 98 3.887 -11.792 -53.707 573 HA SER 98 HA SER 98 5.554 -9.955 -55.154 574 HB2 SER 98 HB2 SER 98 6.198 -12.692 -54.040 575 HB3 SER 98 HB3 SER 98 7.382 -11.559 -54.690 576 HG SER 98 HG SER 98 5.673 -11.127 -52.450 577 H CYS 99 H CYS 99 3.799 -12.784 -55.997 578 HA CYS 99 HA CYS 99 5.241 -13.805 -58.122 579 HB2 CYS 99 HB2 CYS 99 2.364 -13.767 -57.394 580 HB3 CYS 99 HB3 CYS 99 2.779 -14.289 -59.016 581 H SER 100 H SER 100 5.770 -13.125 -60.056 582 HA SER 100 HA SER 100 5.265 -10.504 -60.935 583 HB2 SER 100 HB2 SER 100 6.230 -12.790 -62.644 584 HB3 SER 100 HB3 SER 100 6.609 -11.074 -62.807 585 HG SER 100 HG SER 100 8.330 -11.806 -61.755 586 H CYS 101 H CYS 101 3.397 -13.324 -61.217 587 HA CYS 101 HA CYS 101 2.081 -12.577 -63.666 588 HB2 CYS 101 HB2 CYS 101 1.814 -14.830 -61.725 589 HB3 CYS 101 HB3 CYS 101 0.554 -14.549 -62.932 590 H LYS 102 H LYS 102 1.858 -11.416 -60.589 591 HA LYS 102 HA LYS 102 -1.001 -11.282 -60.404 592 HB2 LYS 102 HB2 LYS 102 1.064 -9.711 -58.849 593 HB3 LYS 102 HB3 LYS 102 -0.641 -9.868 -58.455 594 HG2 LYS 102 HG2 LYS 102 1.491 -11.984 -58.318 595 HG3 LYS 102 HG3 LYS 102 0.529 -11.317 -56.999 596 HD2 LYS 102 HD2 LYS 102 -1.382 -12.263 -58.726 597 HD3 LYS 102 HD3 LYS 102 -0.096 -13.461 -58.880 598 HE2 LYS 102 HE2 LYS 102 -1.233 -12.532 -56.239 599 HE3 LYS 102 HE3 LYS 102 -1.801 -13.965 -57.092 600 HZ1 LYS 102 HZ1 LYS 102 0.917 -13.496 -55.989 601 HZ2 LYS 102 HZ2 LYS 102 0.478 -14.863 -56.890 602 HZ3 LYS 102 HZ3 LYS 102 -0.247 -14.563 -55.396 Start of MODEL 17 1 HA2 GLY 1 HA2 GLY 1 -20.069 -7.583 -7.685 2 HA3 GLY 1 HA3 GLY 1 -20.961 -8.517 -8.879 3 H SER 2 H SER 2 -20.303 -5.390 -9.930 4 HA SER 2 HA SER 2 -18.044 -6.388 -11.517 5 HB2 SER 2 HB2 SER 2 -19.990 -5.817 -12.884 6 HB3 SER 2 HB3 SER 2 -20.045 -4.210 -12.166 7 HG SER 2 HG SER 2 -18.617 -3.599 -13.543 8 H MET 3 H MET 3 -16.387 -5.826 -10.137 9 HA MET 3 HA MET 3 -16.215 -3.084 -9.223 10 HB2 MET 3 HB2 MET 3 -14.211 -3.772 -8.022 11 HB3 MET 3 HB3 MET 3 -15.517 -4.895 -7.696 12 HG2 MET 3 HG2 MET 3 -13.301 -5.392 -9.675 13 HG3 MET 3 HG3 MET 3 -13.300 -5.961 -8.008 14 HE1 MET 3 HE1 MET 3 -12.852 -7.911 -10.452 15 HE2 MET 3 HE2 MET 3 -13.881 -9.268 -9.991 16 HE3 MET 3 HE3 MET 3 -12.908 -8.446 -8.772 17 H SER 4 H SER 4 -14.847 -1.558 -10.004 18 HA SER 4 HA SER 4 -14.100 -1.617 -12.664 19 HB2 SER 4 HB2 SER 4 -12.831 0.070 -10.504 20 HB3 SER 4 HB3 SER 4 -12.900 0.433 -12.228 21 HG SER 4 HG SER 4 -15.231 0.429 -11.989 22 H SER 5 H SER 5 -12.690 -2.850 -13.627 23 HA SER 5 HA SER 5 -10.098 -3.336 -12.345 24 HB2 SER 5 HB2 SER 5 -11.703 -5.355 -13.931 25 HB3 SER 5 HB3 SER 5 -10.127 -5.628 -13.188 26 HG SER 5 HG SER 5 -12.411 -4.838 -11.707 27 H VAL 6 H VAL 6 -8.346 -3.465 -13.783 28 HA VAL 6 HA VAL 6 -8.732 -1.948 -16.186 29 HB VAL 6 HB VAL 6 -6.185 -3.313 -15.341 30 HG11 VAL 6 HG11 VAL 6 -5.124 -1.526 -16.613 31 HG12 VAL 6 HG12 VAL 6 -6.709 -0.869 -17.016 32 HG13 VAL 6 HG13 VAL 6 -6.235 -2.457 -17.616 33 HG21 VAL 6 HG21 VAL 6 -7.208 -0.597 -14.519 34 HG22 VAL 6 HG22 VAL 6 -5.581 -1.207 -14.216 35 HG23 VAL 6 HG23 VAL 6 -6.972 -1.989 -13.463 36 H PHE 7 H PHE 7 -9.950 -3.192 -17.534 37 HA PHE 7 HA PHE 7 -8.828 -5.750 -18.395 38 HB2 PHE 7 HB2 PHE 7 -11.182 -5.756 -17.613 39 HB3 PHE 7 HB3 PHE 7 -11.583 -4.602 -18.878 40 HD1 PHE 7 HD1 PHE 7 -10.350 -8.040 -18.281 41 HD2 PHE 7 HD2 PHE 7 -12.140 -5.332 -21.033 42 HE1 PHE 7 HE1 PHE 7 -10.803 -9.903 -19.816 43 HE2 PHE 7 HE2 PHE 7 -12.595 -7.193 -22.575 44 HZ PHE 7 HZ PHE 7 -11.925 -9.482 -21.966 45 H GLY 8 H GLY 8 -9.127 -2.564 -19.309 46 HA2 GLY 8 HA2 GLY 8 -8.018 -3.147 -21.915 47 HA3 GLY 8 HA3 GLY 8 -9.634 -2.467 -21.958 48 H ALA 9 H ALA 9 -9.181 -0.752 -19.635 49 HA ALA 9 HA ALA 9 -8.061 1.488 -21.028 50 HB1 ALA 9 HB1 ALA 9 -8.987 1.269 -18.169 51 HB2 ALA 9 HB2 ALA 9 -9.984 1.739 -19.547 52 HB3 ALA 9 HB3 ALA 9 -8.639 2.763 -19.038 53 H GLY 10 H GLY 10 -6.279 -0.801 -20.219 54 HA2 GLY 10 HA2 GLY 10 -4.355 0.665 -18.562 55 HA3 GLY 10 HA3 GLY 10 -4.335 -1.071 -18.855 56 H CYS 11 H CYS 11 -4.170 1.983 -20.628 57 HA CYS 11 HA CYS 11 -2.566 0.724 -22.685 58 HB2 CYS 11 HB2 CYS 11 -4.353 2.549 -23.051 59 HB3 CYS 11 HB3 CYS 11 -3.125 3.675 -22.485 60 H THR 12 H THR 12 -0.614 2.366 -23.414 61 HA THR 12 HA THR 12 0.983 2.788 -20.981 62 HB THR 12 HB THR 12 1.674 0.659 -21.975 63 HG1 THR 12 HG1 THR 12 3.509 1.406 -21.208 64 HG21 THR 12 HG21 THR 12 2.342 2.275 -24.441 65 HG22 THR 12 HG22 THR 12 1.010 1.128 -24.305 66 HG23 THR 12 HG23 THR 12 2.676 0.559 -24.202 67 H ASP 13 H ASP 13 2.831 4.214 -21.256 68 HA ASP 13 HA ASP 13 2.127 6.527 -22.805 69 HB2 ASP 13 HB2 ASP 13 3.981 7.630 -21.701 70 HB3 ASP 13 HB3 ASP 13 3.063 6.716 -20.513 71 H THR 14 H THR 14 4.173 3.800 -23.227 72 HA THR 14 HA THR 14 6.047 4.883 -25.060 73 HB THR 14 HB THR 14 5.008 2.041 -25.057 74 HG1 THR 14 HG1 THR 14 6.892 3.316 -23.339 75 HG21 THR 14 HG21 THR 14 7.691 3.253 -25.762 76 HG22 THR 14 HG22 THR 14 6.518 2.574 -26.894 77 HG23 THR 14 HG23 THR 14 7.336 1.525 -25.737 78 H CYS 15 H CYS 15 2.754 4.191 -25.268 79 HA CYS 15 HA CYS 15 2.627 3.633 -28.080 80 HB2 CYS 15 HB2 CYS 15 1.089 2.884 -26.087 81 HB3 CYS 15 HB3 CYS 15 0.283 4.415 -26.401 82 H LYS 16 H LYS 16 3.080 6.404 -26.293 83 HA LYS 16 HA LYS 16 1.419 8.183 -27.904 84 HB2 LYS 16 HB2 LYS 16 3.394 8.916 -25.746 85 HB3 LYS 16 HB3 LYS 16 2.092 9.913 -26.378 86 HG2 LYS 16 HG2 LYS 16 1.714 7.349 -24.855 87 HG3 LYS 16 HG3 LYS 16 1.608 8.967 -24.160 88 HD2 LYS 16 HD2 LYS 16 -0.067 8.097 -26.490 89 HD3 LYS 16 HD3 LYS 16 -0.568 7.846 -24.819 90 HE2 LYS 16 HE2 LYS 16 0.115 10.513 -26.054 91 HE3 LYS 16 HE3 LYS 16 -1.516 9.905 -25.782 92 HZ1 LYS 16 HZ1 LYS 16 0.500 10.411 -23.665 93 HZ2 LYS 16 HZ2 LYS 16 -1.078 9.865 -23.416 94 HZ3 LYS 16 HZ3 LYS 16 -0.807 11.416 -24.032 95 H GLN 17 H GLN 17 4.064 6.702 -28.720 96 HA GLN 17 HA GLN 17 5.737 9.003 -29.296 97 HB2 GLN 17 HB2 GLN 17 6.318 6.125 -29.946 98 HB3 GLN 17 HB3 GLN 17 7.459 7.457 -29.886 99 HG2 GLN 17 HG2 GLN 17 6.103 6.046 -27.620 100 HG3 GLN 17 HG3 GLN 17 7.826 6.227 -27.921 101 HE21 GLN 17 HE21 GLN 17 5.049 7.560 -26.439 102 HE22 GLN 17 HE22 GLN 17 5.807 8.946 -25.747 103 H THR 18 H THR 18 6.785 9.125 -31.469 104 HA THR 18 HA THR 18 5.020 8.275 -33.635 105 HB THR 18 HB THR 18 5.511 10.665 -34.625 106 HG1 THR 18 HG1 THR 18 5.147 11.859 -32.270 107 HG21 THR 18 HG21 THR 18 3.384 11.476 -33.673 108 HG22 THR 18 HG22 THR 18 3.436 10.175 -32.483 109 HG23 THR 18 HG23 THR 18 3.274 9.796 -34.196 110 HA PRO 19 HA PRO 19 5.079 7.160 -35.218 111 HB2 PRO 19 HB2 PRO 19 6.717 4.797 -35.784 112 HB3 PRO 19 HB3 PRO 19 5.607 5.666 -36.848 113 HG2 PRO 19 HG2 PRO 19 8.284 5.729 -37.198 114 HG3 PRO 19 HG3 PRO 19 7.239 7.104 -37.599 115 HD2 PRO 19 HD2 PRO 19 8.950 6.673 -35.175 116 HD3 PRO 19 HD3 PRO 19 8.717 8.143 -36.145 117 H CYS 20 H CYS 20 4.305 4.913 -34.482 118 HA CYS 20 HA CYS 20 4.176 4.798 -31.765 119 HB2 CYS 20 HB2 CYS 20 2.815 3.576 -33.551 120 HB3 CYS 20 HB3 CYS 20 4.047 2.322 -33.455 121 H GLY 21 H GLY 21 5.447 4.122 -30.139 122 HA2 GLY 21 HA2 GLY 21 8.100 3.116 -30.833 123 HA3 GLY 21 HA3 GLY 21 7.614 3.783 -29.285 124 H CYS 22 H CYS 22 5.310 1.605 -30.288 125 HA CYS 22 HA CYS 22 6.082 -0.274 -28.278 126 HB2 CYS 22 HB2 CYS 22 3.856 -0.476 -30.300 127 HB3 CYS 22 HB3 CYS 22 4.038 -1.421 -28.821 128 H GLY 23 H GLY 23 7.595 0.082 -30.987 129 HA2 GLY 23 HA2 GLY 23 7.496 -2.426 -32.302 130 HA3 GLY 23 HA3 GLY 23 8.831 -1.282 -32.370 131 H SER 24 H SER 24 9.162 -1.264 -29.479 132 HA SER 24 HA SER 24 10.738 -3.693 -29.222 133 HB2 SER 24 HB2 SER 24 10.510 -1.329 -27.340 134 HB3 SER 24 HB3 SER 24 11.758 -2.577 -27.321 135 HG SER 24 HG SER 24 12.114 -1.807 -29.606 136 H GLY 25 H GLY 25 7.634 -3.156 -28.847 137 HA2 GLY 25 HA2 GLY 25 6.329 -4.881 -27.743 138 HA3 GLY 25 HA3 GLY 25 7.417 -4.714 -26.366 139 H CYS 26 H CYS 26 4.544 -4.412 -26.398 140 HA CYS 26 HA CYS 26 4.441 -1.647 -25.443 141 HB2 CYS 26 HB2 CYS 26 1.884 -2.029 -26.094 142 HB3 CYS 26 HB3 CYS 26 3.070 -1.329 -27.184 143 H ASN 27 H ASN 27 3.293 -1.249 -23.577 144 HA ASN 27 HA ASN 27 2.649 -3.608 -21.958 145 HB2 ASN 27 HB2 ASN 27 3.170 -0.725 -21.251 146 HB3 ASN 27 HB3 ASN 27 2.512 -1.866 -20.087 147 HD21 ASN 27 HD21 ASN 27 3.818 -3.474 -19.273 148 HD22 ASN 27 HD22 ASN 27 5.534 -3.456 -19.460 149 H CYS 28 H CYS 28 0.947 -1.906 -24.050 150 HA CYS 28 HA CYS 28 -1.329 -1.264 -22.376 151 HB2 CYS 28 HB2 CYS 28 -2.348 -0.622 -24.635 152 HB3 CYS 28 HB3 CYS 28 -0.981 0.328 -24.066 153 H LYS 29 H LYS 29 -3.456 -2.112 -22.765 154 HA LYS 29 HA LYS 29 -3.510 -4.949 -23.104 155 HB2 LYS 29 HB2 LYS 29 -5.584 -2.849 -22.601 156 HB3 LYS 29 HB3 LYS 29 -6.102 -4.427 -23.146 157 HG2 LYS 29 HG2 LYS 29 -6.240 -4.235 -20.726 158 HG3 LYS 29 HG3 LYS 29 -5.068 -5.464 -21.200 159 HD2 LYS 29 HD2 LYS 29 -3.256 -3.874 -20.795 160 HD3 LYS 29 HD3 LYS 29 -4.435 -2.644 -20.343 161 HE2 LYS 29 HE2 LYS 29 -5.152 -3.961 -18.461 162 HE3 LYS 29 HE3 LYS 29 -4.104 -5.292 -18.948 163 HZ1 LYS 29 HZ1 LYS 29 -2.181 -3.828 -18.596 164 HZ2 LYS 29 HZ2 LYS 29 -3.069 -4.051 -17.179 165 HZ3 LYS 29 HZ3 LYS 29 -3.200 -2.602 -18.032 166 H GLU 30 H GLU 30 -5.249 -5.915 -24.568 167 HA GLU 30 HA GLU 30 -4.559 -5.260 -27.258 168 HB2 GLU 30 HB2 GLU 30 -4.876 -7.556 -26.849 169 HB3 GLU 30 HB3 GLU 30 -6.399 -7.285 -26.015 170 HG2 GLU 30 HG2 GLU 30 -7.502 -6.752 -28.038 171 HG3 GLU 30 HG3 GLU 30 -5.986 -6.753 -28.935 172 H ASP 31 H ASP 31 -6.960 -4.228 -25.118 173 HA ASP 31 HA ASP 31 -9.127 -3.693 -26.807 174 HB2 ASP 31 HB2 ASP 31 -9.234 -3.594 -24.359 175 HB3 ASP 31 HB3 ASP 31 -8.217 -2.159 -24.368 176 H CYS 32 H CYS 32 -6.053 -2.275 -26.705 177 HA CYS 32 HA CYS 32 -6.555 0.349 -27.534 178 HB2 CYS 32 HB2 CYS 32 -4.384 -0.589 -26.687 179 HB3 CYS 32 HB3 CYS 32 -4.174 -1.361 -28.255 180 H ARG 33 H ARG 33 -7.041 1.223 -29.472 181 HA ARG 33 HA ARG 33 -7.596 -0.627 -31.688 182 HB2 ARG 33 HB2 ARG 33 -9.368 0.918 -30.671 183 HB3 ARG 33 HB3 ARG 33 -8.493 2.240 -31.422 184 HG2 ARG 33 HG2 ARG 33 -10.270 1.721 -32.868 185 HG3 ARG 33 HG3 ARG 33 -8.821 1.051 -33.619 186 HD2 ARG 33 HD2 ARG 33 -9.385 -1.148 -32.659 187 HD3 ARG 33 HD3 ARG 33 -10.867 -0.452 -32.005 188 HE ARG 33 HE ARG 33 -10.624 -0.050 -34.820 189 HH11 ARG 33 HH11 ARG 33 -11.578 -2.385 -32.376 190 HH12 ARG 33 HH12 ARG 33 -12.670 -3.219 -33.426 191 HH21 ARG 33 HH21 ARG 33 -12.080 -1.164 -36.207 192 HH22 ARG 33 HH22 ARG 33 -12.966 -2.522 -35.605 193 H CYS 34 H CYS 34 -4.890 0.376 -31.098 194 HA CYS 34 HA CYS 34 -4.354 2.429 -33.095 195 HB2 CYS 34 HB2 CYS 34 -3.185 2.261 -30.809 196 HB3 CYS 34 HB3 CYS 34 -2.313 0.894 -31.507 197 H GLN 35 H GLN 35 -4.208 1.803 -35.189 198 HA GLN 35 HA GLN 35 -3.918 -0.787 -36.149 199 HB2 GLN 35 HB2 GLN 35 -3.094 1.831 -37.428 200 HB3 GLN 35 HB3 GLN 35 -3.023 0.298 -38.272 201 HG2 GLN 35 HG2 GLN 35 -5.534 1.491 -37.121 202 HG3 GLN 35 HG3 GLN 35 -5.017 1.667 -38.796 203 HE21 GLN 35 HE21 GLN 35 -6.322 -0.451 -36.407 204 HE22 GLN 35 HE22 GLN 35 -6.766 -1.731 -37.478 205 H SER 36 H SER 36 -1.494 1.516 -35.188 206 HA SER 36 HA SER 36 0.798 0.556 -36.291 207 HB2 SER 36 HB2 SER 36 0.487 1.689 -33.522 208 HB3 SER 36 HB3 SER 36 1.979 1.633 -34.461 209 HG SER 36 HG SER 36 -0.276 3.260 -34.772 210 H CYS 37 H CYS 37 -0.617 -0.577 -33.205 211 HA CYS 37 HA CYS 37 1.282 -2.816 -33.369 212 HB2 CYS 37 HB2 CYS 37 0.978 -2.989 -30.846 213 HB3 CYS 37 HB3 CYS 37 1.878 -1.598 -31.430 214 H LYS 38 H LYS 38 -1.829 -2.141 -33.947 215 HA LYS 38 HA LYS 38 -2.968 -4.512 -32.724 216 HB2 LYS 38 HB2 LYS 38 -4.135 -2.316 -32.758 217 HB3 LYS 38 HB3 LYS 38 -4.260 -2.466 -34.502 218 HG2 LYS 38 HG2 LYS 38 -5.647 -4.369 -34.304 219 HG3 LYS 38 HG3 LYS 38 -5.375 -4.434 -32.554 220 HD2 LYS 38 HD2 LYS 38 -6.748 -2.683 -32.139 221 HD3 LYS 38 HD3 LYS 38 -6.451 -1.936 -33.712 222 HE2 LYS 38 HE2 LYS 38 -8.704 -2.776 -33.675 223 HE3 LYS 38 HE3 LYS 38 -7.704 -3.727 -34.775 224 HZ1 LYS 38 HZ1 LYS 38 -9.120 -5.171 -33.467 225 HZ2 LYS 38 HZ2 LYS 38 -8.508 -4.542 -32.028 226 HZ3 LYS 38 HZ3 LYS 38 -7.507 -5.436 -33.046 227 H TYR 39 H TYR 39 -2.164 -3.248 -35.958 228 HA TYR 39 HA TYR 39 -2.432 -5.989 -36.985 229 HB2 TYR 39 HB2 TYR 39 -3.389 -3.498 -38.429 230 HB3 TYR 39 HB3 TYR 39 -3.312 -5.101 -39.143 231 HD1 TYR 39 HD1 TYR 39 -5.578 -2.892 -38.192 232 HD2 TYR 39 HD2 TYR 39 -4.453 -6.850 -37.152 233 HE1 TYR 39 HE1 TYR 39 -7.861 -3.323 -37.399 234 HE2 TYR 39 HE2 TYR 39 -6.736 -7.298 -36.357 235 HH TYR 39 HH TYR 39 -9.342 -5.289 -37.052 236 H GLY 40 H GLY 40 -1.461 -5.838 -39.440 237 HA2 GLY 40 HA2 GLY 40 1.298 -5.030 -38.947 238 HA3 GLY 40 HA3 GLY 40 0.725 -6.040 -40.269 239 H ALA 41 H ALA 41 -0.340 -5.020 -42.047 240 HA ALA 41 HA ALA 41 0.711 -2.335 -42.526 241 HB1 ALA 41 HB1 ALA 41 1.221 -4.075 -44.177 242 HB2 ALA 41 HB2 ALA 41 0.256 -2.778 -44.883 243 HB3 ALA 41 HB3 ALA 41 -0.504 -4.311 -44.457 244 H GLY 42 H GLY 42 -1.945 -3.523 -41.203 245 HA2 GLY 42 HA2 GLY 42 -3.836 -2.259 -40.623 246 HA3 GLY 42 HA3 GLY 42 -3.536 -1.217 -42.005 247 H CYS 43 H CYS 43 -4.276 -4.655 -41.401 248 HA CYS 43 HA CYS 43 -6.164 -4.503 -43.644 249 HB2 CYS 43 HB2 CYS 43 -4.083 -6.215 -43.380 250 HB3 CYS 43 HB3 CYS 43 -5.342 -7.148 -42.590 251 H THR 44 H THR 44 -8.123 -5.932 -43.368 252 HA THR 44 HA THR 44 -9.370 -5.201 -40.904 253 HB THR 44 HB THR 44 -11.360 -6.398 -41.934 254 HG1 THR 44 HG1 THR 44 -11.145 -7.025 -44.081 255 HG21 THR 44 HG21 THR 44 -10.014 -4.202 -43.520 256 HG22 THR 44 HG22 THR 44 -11.062 -3.977 -42.119 257 HG23 THR 44 HG23 THR 44 -11.721 -4.633 -43.617 258 H ASP 45 H ASP 45 -10.437 -6.588 -39.444 259 HA ASP 45 HA ASP 45 -8.966 -8.929 -38.740 260 HB2 ASP 45 HB2 ASP 45 -10.493 -9.125 -36.870 261 HB3 ASP 45 HB3 ASP 45 -10.045 -7.435 -37.073 262 H VAL 46 H VAL 46 -11.789 -8.314 -40.597 263 HA VAL 46 HA VAL 46 -12.988 -10.877 -40.454 264 HB VAL 46 HB VAL 46 -13.181 -8.883 -42.722 265 HG11 VAL 46 HG11 VAL 46 -15.363 -9.900 -43.147 266 HG12 VAL 46 HG12 VAL 46 -15.107 -11.032 -41.823 267 HG13 VAL 46 HG13 VAL 46 -14.086 -11.111 -43.255 268 HG21 VAL 46 HG21 VAL 46 -13.664 -7.836 -40.561 269 HG22 VAL 46 HG22 VAL 46 -14.857 -9.091 -40.227 270 HG23 VAL 46 HG23 VAL 46 -15.115 -7.963 -41.560 271 H CYS 47 H CYS 47 -10.369 -9.556 -42.258 272 HA CYS 47 HA CYS 47 -10.248 -11.680 -44.177 273 HB2 CYS 47 HB2 CYS 47 -9.455 -9.408 -44.699 274 HB3 CYS 47 HB3 CYS 47 -8.236 -9.541 -43.439 275 H LYS 48 H LYS 48 -9.003 -11.047 -40.996 276 HA LYS 48 HA LYS 48 -7.004 -13.134 -41.126 277 HB2 LYS 48 HB2 LYS 48 -7.991 -11.482 -38.809 278 HB3 LYS 48 HB3 LYS 48 -6.583 -12.543 -38.794 279 HG2 LYS 48 HG2 LYS 48 -5.499 -11.206 -40.452 280 HG3 LYS 48 HG3 LYS 48 -6.945 -10.208 -40.618 281 HD2 LYS 48 HD2 LYS 48 -6.695 -9.358 -38.410 282 HD3 LYS 48 HD3 LYS 48 -5.376 -10.487 -38.068 283 HE2 LYS 48 HE2 LYS 48 -5.261 -8.490 -40.300 284 HE3 LYS 48 HE3 LYS 48 -4.724 -8.103 -38.673 285 HZ1 LYS 48 HZ1 LYS 48 -3.698 -10.377 -40.274 286 HZ2 LYS 48 HZ2 LYS 48 -3.097 -9.842 -38.793 287 HZ3 LYS 48 HZ3 LYS 48 -2.931 -8.882 -40.172 288 H GLN 49 H GLN 49 -10.090 -13.422 -41.209 289 HA GLN 49 HA GLN 49 -10.678 -15.164 -39.018 290 HB2 GLN 49 HB2 GLN 49 -12.079 -14.598 -41.613 291 HB3 GLN 49 HB3 GLN 49 -12.676 -15.769 -40.449 292 HG2 GLN 49 HG2 GLN 49 -12.765 -13.955 -38.769 293 HG3 GLN 49 HG3 GLN 49 -12.308 -12.826 -40.045 294 HE21 GLN 49 HE21 GLN 49 -14.301 -11.757 -39.659 295 HE22 GLN 49 HE22 GLN 49 -15.778 -12.366 -40.317 296 H THR 50 H THR 50 -11.175 -17.407 -39.211 297 HA THR 50 HA THR 50 -10.155 -18.794 -41.544 298 HB THR 50 HB THR 50 -9.255 -19.520 -38.747 299 HG1 THR 50 HG1 THR 50 -8.273 -17.597 -39.754 300 HG21 THR 50 HG21 THR 50 -8.492 -20.628 -41.453 301 HG22 THR 50 HG22 THR 50 -9.556 -21.413 -40.290 302 HG23 THR 50 HG23 THR 50 -7.850 -21.160 -39.896 303 HA PRO 51 HA PRO 51 -10.962 -20.005 -42.927 304 HB2 PRO 51 HB2 PRO 51 -13.753 -19.962 -43.837 305 HB3 PRO 51 HB3 PRO 51 -12.440 -21.049 -44.301 306 HG2 PRO 51 HG2 PRO 51 -14.510 -21.873 -42.786 307 HG3 PRO 51 HG3 PRO 51 -12.873 -22.524 -42.592 308 HD2 PRO 51 HD2 PRO 51 -14.295 -20.463 -40.953 309 HD3 PRO 51 HD3 PRO 51 -13.271 -21.807 -40.422 310 H CYS 52 H CYS 52 -11.014 -18.273 -44.418 311 HA CYS 52 HA CYS 52 -11.387 -15.776 -43.201 312 HB2 CYS 52 HB2 CYS 52 -9.774 -16.419 -45.066 313 HB3 CYS 52 HB3 CYS 52 -11.141 -16.222 -46.155 314 H GLY 53 H GLY 53 -12.999 -14.289 -43.294 315 HA2 GLY 53 HA2 GLY 53 -15.435 -15.149 -44.717 316 HA3 GLY 53 HA3 GLY 53 -15.444 -14.316 -43.176 317 H CYS 54 H CYS 54 -13.080 -13.057 -45.258 318 HA CYS 54 HA CYS 54 -14.374 -10.556 -45.371 319 HB2 CYS 54 HB2 CYS 54 -11.857 -11.037 -45.604 320 HB3 CYS 54 HB3 CYS 54 -12.214 -11.367 -47.304 321 H ALA 55 H ALA 55 -14.127 -13.181 -47.695 322 HA ALA 55 HA ALA 55 -15.313 -11.799 -49.863 323 HB1 ALA 55 HB1 ALA 55 -13.949 -13.795 -50.183 324 HB2 ALA 55 HB2 ALA 55 -15.552 -14.009 -50.886 325 HB3 ALA 55 HB3 ALA 55 -15.156 -14.764 -49.343 326 H THR 56 H THR 56 -16.628 -13.102 -47.008 327 HA THR 56 HA THR 56 -19.292 -13.424 -48.141 328 HB THR 56 HB THR 56 -18.386 -13.813 -45.278 329 HG1 THR 56 HG1 THR 56 -17.997 -15.328 -47.522 330 HG21 THR 56 HG21 THR 56 -20.431 -15.165 -45.087 331 HG22 THR 56 HG22 THR 56 -20.844 -14.783 -46.759 332 HG23 THR 56 HG23 THR 56 -20.811 -13.504 -45.544 333 H SER 57 H SER 57 -17.605 -11.484 -45.683 334 HA SER 57 HA SER 57 -19.926 -9.920 -45.076 335 HB2 SER 57 HB2 SER 57 -18.185 -10.370 -43.391 336 HB3 SER 57 HB3 SER 57 -17.025 -9.458 -44.353 337 HG SER 57 HG SER 57 -19.133 -7.903 -44.009 338 H GLY 58 H GLY 58 -16.983 -9.415 -46.977 339 HA2 GLY 58 HA2 GLY 58 -17.776 -7.900 -48.976 340 HA3 GLY 58 HA3 GLY 58 -17.838 -6.718 -47.673 341 H CYS 59 H CYS 59 -15.904 -8.254 -49.943 342 HA CYS 59 HA CYS 59 -13.383 -8.200 -48.715 343 HB2 CYS 59 HB2 CYS 59 -14.052 -9.412 -50.821 344 HB3 CYS 59 HB3 CYS 59 -13.967 -7.865 -51.653 345 H ASN 60 H ASN 60 -12.246 -6.499 -48.058 346 HA ASN 60 HA ASN 60 -12.835 -3.878 -49.272 347 HB2 ASN 60 HB2 ASN 60 -13.479 -3.983 -46.935 348 HB3 ASN 60 HB3 ASN 60 -11.867 -4.523 -46.482 349 HD21 ASN 60 HD21 ASN 60 -10.215 -3.036 -46.328 350 HD22 ASN 60 HD22 ASN 60 -10.468 -1.332 -46.428 351 H CYS 61 H CYS 61 -10.246 -6.052 -48.353 352 HA CYS 61 HA CYS 61 -8.153 -4.151 -48.677 353 HB2 CYS 61 HB2 CYS 61 -6.704 -6.215 -48.659 354 HB3 CYS 61 HB3 CYS 61 -7.740 -5.995 -47.250 355 H THR 62 H THR 62 -6.253 -4.967 -50.228 356 HA THR 62 HA THR 62 -7.420 -4.844 -52.896 357 HB THR 62 HB THR 62 -4.993 -4.223 -53.496 358 HG1 THR 62 HG1 THR 62 -4.499 -3.113 -51.103 359 HG21 THR 62 HG21 THR 62 -5.378 -1.884 -52.866 360 HG22 THR 62 HG22 THR 62 -6.648 -2.392 -51.752 361 HG23 THR 62 HG23 THR 62 -6.851 -2.627 -53.488 362 H ASP 63 H ASP 63 -5.776 -5.777 -54.596 363 HA ASP 63 HA ASP 63 -5.726 -8.607 -54.120 364 HB2 ASP 63 HB2 ASP 63 -4.958 -6.974 -56.534 365 HB3 ASP 63 HB3 ASP 63 -4.922 -8.735 -56.485 366 H ASP 64 H ASP 64 -3.604 -6.158 -53.558 367 HA ASP 64 HA ASP 64 -1.122 -7.490 -54.019 368 HB2 ASP 64 HB2 ASP 64 -1.237 -5.056 -53.843 369 HB3 ASP 64 HB3 ASP 64 -1.841 -5.174 -52.194 370 H CYS 65 H CYS 65 -3.584 -8.025 -51.864 371 HA CYS 65 HA CYS 65 -2.137 -8.695 -49.513 372 HB2 CYS 65 HB2 CYS 65 -4.628 -8.096 -49.765 373 HB3 CYS 65 HB3 CYS 65 -4.836 -9.772 -50.268 374 H LYS 66 H LYS 66 -1.648 -10.759 -48.702 375 HA LYS 66 HA LYS 66 -1.068 -12.734 -50.759 376 HB2 LYS 66 HB2 LYS 66 -0.324 -12.673 -47.822 377 HB3 LYS 66 HB3 LYS 66 0.187 -13.910 -48.956 378 HG2 LYS 66 HG2 LYS 66 2.033 -12.563 -48.917 379 HG3 LYS 66 HG3 LYS 66 1.154 -11.872 -50.280 380 HD2 LYS 66 HD2 LYS 66 0.150 -10.236 -48.628 381 HD3 LYS 66 HD3 LYS 66 1.341 -10.822 -47.465 382 HE2 LYS 66 HE2 LYS 66 2.209 -8.846 -48.506 383 HE3 LYS 66 HE3 LYS 66 3.126 -10.232 -49.092 384 HZ1 LYS 66 HZ1 LYS 66 2.640 -8.876 -50.949 385 HZ2 LYS 66 HZ2 LYS 66 1.012 -8.726 -50.530 386 HZ3 LYS 66 HZ3 LYS 66 1.601 -10.208 -51.080 387 H CYS 67 H CYS 67 -3.784 -12.417 -50.252 388 HA CYS 67 HA CYS 67 -4.402 -14.950 -48.915 389 HB2 CYS 67 HB2 CYS 67 -5.082 -12.824 -47.674 390 HB3 CYS 67 HB3 CYS 67 -6.271 -12.595 -48.951 391 H GLN 68 H GLN 68 -5.502 -16.374 -50.100 392 HA GLN 68 HA GLN 68 -6.419 -15.519 -52.753 393 HB2 GLN 68 HB2 GLN 68 -5.713 -18.243 -51.662 394 HB3 GLN 68 HB3 GLN 68 -6.378 -17.976 -53.266 395 HG2 GLN 68 HG2 GLN 68 -3.771 -16.876 -52.236 396 HG3 GLN 68 HG3 GLN 68 -3.957 -18.245 -53.330 397 HE21 GLN 68 HE21 GLN 68 -2.564 -15.729 -53.709 398 HE22 GLN 68 HE22 GLN 68 -3.257 -15.004 -55.110 399 H SER 69 H SER 69 -7.764 -15.836 -49.847 400 HA SER 69 HA SER 69 -10.024 -17.475 -50.480 401 HB2 SER 69 HB2 SER 69 -9.595 -15.561 -48.177 402 HB3 SER 69 HB3 SER 69 -10.899 -16.743 -48.297 403 HG SER 69 HG SER 69 -8.111 -17.310 -48.226 404 H CYS 70 H CYS 70 -9.628 -13.963 -49.971 405 HA CYS 70 HA CYS 70 -12.241 -13.554 -51.224 406 HB2 CYS 70 HB2 CYS 70 -11.741 -11.160 -50.300 407 HB3 CYS 70 HB3 CYS 70 -12.317 -12.450 -49.247 408 H SER 71 H SER 71 -8.849 -12.536 -51.515 409 HA SER 71 HA SER 71 -9.245 -10.605 -53.524 410 HB2 SER 71 HB2 SER 71 -6.768 -12.235 -52.922 411 HB3 SER 71 HB3 SER 71 -6.820 -10.758 -53.885 412 HG SER 71 HG SER 71 -6.720 -11.041 -51.200 413 H THR 72 H THR 72 -8.274 -10.777 -55.773 414 HA THR 72 HA THR 72 -9.733 -12.662 -57.240 415 HB THR 72 HB THR 72 -8.361 -11.911 -59.201 416 HG1 THR 72 HG1 THR 72 -7.190 -10.062 -57.385 417 HG21 THR 72 HG21 THR 72 -9.167 -9.584 -59.171 418 HG22 THR 72 HG22 THR 72 -9.516 -9.738 -57.447 419 HG23 THR 72 HG23 THR 72 -10.400 -10.718 -58.619 420 H ALA 73 H ALA 73 -9.357 -14.686 -57.749 421 HA ALA 73 HA ALA 73 -6.898 -15.963 -57.029 422 HB1 ALA 73 HB1 ALA 73 -7.957 -18.005 -57.847 423 HB2 ALA 73 HB2 ALA 73 -9.275 -17.057 -58.540 424 HB3 ALA 73 HB3 ALA 73 -9.056 -17.116 -56.791 425 H CYS 74 H CYS 74 -5.758 -17.350 -58.631 426 HA CYS 74 HA CYS 74 -4.824 -15.785 -60.790 427 HB2 CYS 74 HB2 CYS 74 -3.742 -17.742 -59.384 428 HB3 CYS 74 HB3 CYS 74 -4.384 -18.725 -60.699 429 H LYS 75 H LYS 75 -5.157 -15.971 -62.992 430 HA LYS 75 HA LYS 75 -7.618 -17.402 -63.699 431 HB2 LYS 75 HB2 LYS 75 -6.246 -15.222 -65.270 432 HB3 LYS 75 HB3 LYS 75 -7.854 -15.874 -65.545 433 HG2 LYS 75 HG2 LYS 75 -6.951 -14.249 -63.171 434 HG3 LYS 75 HG3 LYS 75 -8.014 -13.716 -64.474 435 HD2 LYS 75 HD2 LYS 75 -8.649 -15.996 -62.598 436 HD3 LYS 75 HD3 LYS 75 -9.188 -14.339 -62.349 437 HE2 LYS 75 HE2 LYS 75 -9.836 -16.066 -64.736 438 HE3 LYS 75 HE3 LYS 75 -10.922 -15.720 -63.393 439 HZ1 LYS 75 HZ1 LYS 75 -11.420 -14.299 -65.243 440 HZ2 LYS 75 HZ2 LYS 75 -9.832 -13.750 -65.324 441 HZ3 LYS 75 HZ3 LYS 75 -10.792 -13.357 -63.988 442 H CYS 76 H CYS 76 -4.277 -17.671 -64.074 443 HA CYS 76 HA CYS 76 -4.092 -18.728 -66.667 444 HB2 CYS 76 HB2 CYS 76 -2.423 -19.249 -64.196 445 HB3 CYS 76 HB3 CYS 76 -1.983 -19.719 -65.843 446 H ALA 77 H ALA 77 -3.842 -20.977 -67.249 447 HA ALA 77 HA ALA 77 -5.547 -22.703 -65.582 448 HB1 ALA 77 HB1 ALA 77 -6.566 -22.112 -67.705 449 HB2 ALA 77 HB2 ALA 77 -6.175 -23.833 -67.667 450 HB3 ALA 77 HB3 ALA 77 -5.150 -22.711 -68.564 451 H ALA 78 H ALA 78 -5.128 -25.088 -65.975 452 HA ALA 78 HA ALA 78 -2.410 -25.628 -65.341 453 HB1 ALA 78 HB1 ALA 78 -4.645 -27.552 -65.976 454 HB2 ALA 78 HB2 ALA 78 -4.241 -26.930 -64.375 455 HB3 ALA 78 HB3 ALA 78 -3.102 -27.967 -65.232 456 H GLY 79 H GLY 79 -1.157 -25.004 -67.046 457 HA2 GLY 79 HA2 GLY 79 0.123 -26.233 -68.768 458 HA3 GLY 79 HA3 GLY 79 -1.432 -26.623 -69.493 459 H SER 80 H SER 80 -2.349 -23.843 -68.731 460 HA SER 80 HA SER 80 -0.988 -22.448 -70.919 461 HB2 SER 80 HB2 SER 80 -3.902 -22.314 -70.146 462 HB3 SER 80 HB3 SER 80 -3.140 -21.301 -71.371 463 HG SER 80 HG SER 80 -3.510 -24.112 -71.380 464 H CYS 81 H CYS 81 0.434 -21.298 -69.727 465 HA CYS 81 HA CYS 81 -0.584 -19.461 -67.687 466 HB2 CYS 81 HB2 CYS 81 1.463 -20.888 -67.246 467 HB3 CYS 81 HB3 CYS 81 2.283 -20.011 -68.529 468 H LYS 82 H LYS 82 -1.133 -17.458 -68.377 469 HA LYS 82 HA LYS 82 -0.403 -16.675 -71.064 470 HB2 LYS 82 HB2 LYS 82 -2.268 -15.481 -69.044 471 HB3 LYS 82 HB3 LYS 82 -1.813 -14.595 -70.489 472 HG2 LYS 82 HG2 LYS 82 -3.663 -15.570 -71.315 473 HG3 LYS 82 HG3 LYS 82 -2.565 -16.918 -71.607 474 HD2 LYS 82 HD2 LYS 82 -4.497 -17.814 -70.585 475 HD3 LYS 82 HD3 LYS 82 -3.255 -17.770 -69.334 476 HE2 LYS 82 HE2 LYS 82 -5.374 -17.000 -68.445 477 HE3 LYS 82 HE3 LYS 82 -4.198 -15.690 -68.458 478 HZ1 LYS 82 HZ1 LYS 82 -5.232 -14.829 -70.465 479 HZ2 LYS 82 HZ2 LYS 82 -6.376 -14.964 -69.227 480 HZ3 LYS 82 HZ3 LYS 82 -6.343 -16.103 -70.470 481 H CYS 83 H CYS 83 0.099 -15.314 -67.831 482 HA CYS 83 HA CYS 83 1.592 -13.102 -68.849 483 HB2 CYS 83 HB2 CYS 83 2.029 -12.596 -66.509 484 HB3 CYS 83 HB3 CYS 83 0.344 -13.045 -66.724 485 H GLY 84 H GLY 84 2.329 -16.318 -67.744 486 HA2 GLY 84 HA2 GLY 84 4.238 -17.562 -68.078 487 HA3 GLY 84 HA3 GLY 84 4.956 -16.173 -68.877 488 H LYS 85 H LYS 85 3.677 -16.378 -65.567 489 HA LYS 85 HA LYS 85 6.289 -15.502 -64.596 490 HB2 LYS 85 HB2 LYS 85 3.593 -15.683 -63.249 491 HB3 LYS 85 HB3 LYS 85 5.067 -15.294 -62.376 492 HG2 LYS 85 HG2 LYS 85 3.980 -13.700 -64.694 493 HG3 LYS 85 HG3 LYS 85 3.714 -13.313 -62.994 494 HD2 LYS 85 HD2 LYS 85 6.173 -13.113 -62.696 495 HD3 LYS 85 HD3 LYS 85 6.380 -13.411 -64.424 496 HE2 LYS 85 HE2 LYS 85 5.085 -11.412 -64.941 497 HE3 LYS 85 HE3 LYS 85 4.813 -11.127 -63.223 498 HZ1 LYS 85 HZ1 LYS 85 7.184 -10.824 -62.934 499 HZ2 LYS 85 HZ2 LYS 85 6.599 -9.746 -64.088 500 HZ3 LYS 85 HZ3 LYS 85 7.456 -11.114 -64.573 501 H GLY 86 H GLY 86 4.380 -18.327 -64.819 502 HA2 GLY 86 HA2 GLY 86 5.670 -20.395 -64.594 503 HA3 GLY 86 HA3 GLY 86 6.364 -19.718 -63.131 504 H CYS 87 H CYS 87 3.067 -19.006 -63.370 505 HA CYS 87 HA CYS 87 2.440 -21.299 -61.661 506 HB2 CYS 87 HB2 CYS 87 0.615 -19.636 -60.810 507 HB3 CYS 87 HB3 CYS 87 2.262 -19.538 -60.200 508 H THR 88 H THR 88 1.000 -22.645 -62.460 509 HA THR 88 HA THR 88 -0.664 -21.760 -64.688 510 HB THR 88 HB THR 88 -1.095 -24.300 -64.850 511 HG1 THR 88 HG1 THR 88 -0.133 -25.444 -63.363 512 HG21 THR 88 HG21 THR 88 0.270 -23.059 -66.451 513 HG22 THR 88 HG22 THR 88 0.992 -24.633 -66.112 514 HG23 THR 88 HG23 THR 88 1.662 -23.178 -65.374 515 H GLY 89 H GLY 89 -1.390 -20.888 -62.124 516 HA2 GLY 89 HA2 GLY 89 -3.978 -20.982 -61.916 517 HA3 GLY 89 HA3 GLY 89 -3.632 -22.602 -61.351 518 HA PRO 90 HA PRO 90 -3.552 -19.208 -57.968 519 HB2 PRO 90 HB2 PRO 90 -5.639 -20.175 -56.506 520 HB3 PRO 90 HB3 PRO 90 -5.822 -18.991 -57.805 521 HG2 PRO 90 HG2 PRO 90 -6.212 -21.956 -57.880 522 HG3 PRO 90 HG3 PRO 90 -7.236 -20.678 -58.569 523 HD2 PRO 90 HD2 PRO 90 -5.536 -22.088 -60.089 524 HD3 PRO 90 HD3 PRO 90 -5.827 -20.362 -60.382 525 H ASP 91 H ASP 91 -3.794 -22.689 -57.907 526 HA ASP 91 HA ASP 91 -3.036 -23.022 -55.190 527 HB2 ASP 91 HB2 ASP 91 -4.184 -24.789 -56.455 528 HB3 ASP 91 HB3 ASP 91 -2.781 -24.954 -57.506 529 H SER 92 H SER 92 -1.297 -22.424 -58.109 530 HA SER 92 HA SER 92 1.234 -22.790 -56.666 531 HB2 SER 92 HB2 SER 92 0.909 -24.297 -58.637 532 HB3 SER 92 HB3 SER 92 0.803 -22.870 -59.663 533 HG SER 92 HG SER 92 2.888 -23.333 -59.799 534 H CYS 93 H CYS 93 -0.887 -20.488 -57.484 535 HA CYS 93 HA CYS 93 0.891 -18.537 -58.612 536 HB2 CYS 93 HB2 CYS 93 -1.528 -18.440 -59.093 537 HB3 CYS 93 HB3 CYS 93 -1.855 -18.163 -57.387 538 H LYS 94 H LYS 94 2.488 -17.876 -57.434 539 HA LYS 94 HA LYS 94 2.137 -17.479 -54.560 540 HB2 LYS 94 HB2 LYS 94 4.664 -17.208 -56.209 541 HB3 LYS 94 HB3 LYS 94 4.554 -17.353 -54.462 542 HG2 LYS 94 HG2 LYS 94 3.452 -19.581 -56.090 543 HG3 LYS 94 HG3 LYS 94 5.202 -19.397 -56.044 544 HD2 LYS 94 HD2 LYS 94 4.432 -20.950 -54.326 545 HD3 LYS 94 HD3 LYS 94 5.151 -19.515 -53.603 546 HE2 LYS 94 HE2 LYS 94 2.922 -18.599 -53.197 547 HE3 LYS 94 HE3 LYS 94 2.193 -20.020 -53.944 548 HZ1 LYS 94 HZ1 LYS 94 3.886 -20.038 -51.510 549 HZ2 LYS 94 HZ2 LYS 94 3.099 -21.374 -52.193 550 HZ3 LYS 94 HZ3 LYS 94 2.196 -20.109 -51.523 551 H CYS 95 H CYS 95 1.312 -15.788 -57.053 552 HA CYS 95 HA CYS 95 2.657 -13.290 -56.397 553 HB2 CYS 95 HB2 CYS 95 0.796 -13.929 -58.678 554 HB3 CYS 95 HB3 CYS 95 1.753 -12.462 -58.481 555 H ASP 96 H ASP 96 1.476 -11.390 -56.077 556 HA ASP 96 HA ASP 96 -1.072 -11.817 -54.740 557 HB2 ASP 96 HB2 ASP 96 0.615 -9.299 -54.896 558 HB3 ASP 96 HB3 ASP 96 -0.745 -9.588 -53.813 559 H ARG 97 H ARG 97 -0.308 -8.779 -56.263 560 HA ARG 97 HA ARG 97 -2.494 -9.195 -58.188 561 HB2 ARG 97 HB2 ARG 97 -2.695 -6.778 -58.217 562 HB3 ARG 97 HB3 ARG 97 -2.776 -7.353 -56.555 563 HG2 ARG 97 HG2 ARG 97 -0.455 -6.741 -56.210 564 HG3 ARG 97 HG3 ARG 97 -0.340 -6.191 -57.882 565 HD2 ARG 97 HD2 ARG 97 -2.105 -4.553 -57.417 566 HD3 ARG 97 HD3 ARG 97 -2.124 -5.086 -55.738 567 HE ARG 97 HE ARG 97 0.500 -4.403 -56.384 568 HH11 ARG 97 HH11 ARG 97 -2.596 -2.811 -55.991 569 HH12 ARG 97 HH12 ARG 97 -1.904 -1.284 -55.564 570 HH21 ARG 97 HH21 ARG 97 1.424 -2.402 -55.812 571 HH22 ARG 97 HH22 ARG 97 0.400 -1.049 -55.460 572 H SER 98 H SER 98 0.685 -9.479 -57.975 573 HA SER 98 HA SER 98 1.660 -7.757 -60.040 574 HB2 SER 98 HB2 SER 98 3.008 -10.155 -58.799 575 HB3 SER 98 HB3 SER 98 3.785 -8.827 -59.665 576 HG SER 98 HG SER 98 2.799 -7.452 -57.974 577 H CYS 99 H CYS 99 -0.227 -10.377 -60.225 578 HA CYS 99 HA CYS 99 1.094 -11.634 -62.451 579 HB2 CYS 99 HB2 CYS 99 -0.532 -12.633 -60.548 580 HB3 CYS 99 HB3 CYS 99 -1.695 -12.311 -61.837 581 H SER 100 H SER 100 0.647 -11.267 -64.499 582 HA SER 100 HA SER 100 -0.792 -8.889 -65.128 583 HB2 SER 100 HB2 SER 100 0.505 -10.851 -66.996 584 HB3 SER 100 HB3 SER 100 0.123 -9.159 -67.321 585 HG SER 100 HG SER 100 1.554 -8.808 -65.363 586 H CYS 101 H CYS 101 -1.987 -11.870 -64.600 587 HA CYS 101 HA CYS 101 -3.864 -11.831 -66.837 588 HB2 CYS 101 HB2 CYS 101 -4.467 -13.998 -66.243 589 HB3 CYS 101 HB3 CYS 101 -2.760 -13.944 -65.809 590 H LYS 102 H LYS 102 -3.653 -11.002 -63.471 591 HA LYS 102 HA LYS 102 -6.329 -11.233 -62.698 592 HB2 LYS 102 HB2 LYS 102 -4.375 -9.155 -61.691 593 HB3 LYS 102 HB3 LYS 102 -5.811 -9.738 -60.861 594 HG2 LYS 102 HG2 LYS 102 -3.308 -11.320 -61.441 595 HG3 LYS 102 HG3 LYS 102 -3.795 -10.672 -59.880 596 HD2 LYS 102 HD2 LYS 102 -5.871 -12.121 -60.079 597 HD3 LYS 102 HD3 LYS 102 -5.077 -12.909 -61.450 598 HE2 LYS 102 HE2 LYS 102 -4.551 -14.261 -59.584 599 HE3 LYS 102 HE3 LYS 102 -3.109 -13.281 -59.865 600 HZ1 LYS 102 HZ1 LYS 102 -3.668 -13.373 -57.526 601 HZ2 LYS 102 HZ2 LYS 102 -5.204 -12.738 -57.825 602 HZ3 LYS 102 HZ3 LYS 102 -3.826 -11.789 -58.096 Start of MODEL 18 1 HA2 GLY 1 HA2 GLY 1 -5.982 -17.961 -17.198 2 HA3 GLY 1 HA3 GLY 1 -6.853 -18.395 -18.660 3 H SER 2 H SER 2 -7.423 -16.769 -20.141 4 HA SER 2 HA SER 2 -5.731 -14.386 -19.943 5 HB2 SER 2 HB2 SER 2 -7.094 -15.590 -22.364 6 HB3 SER 2 HB3 SER 2 -5.938 -14.259 -22.373 7 HG SER 2 HG SER 2 -5.496 -16.918 -22.338 8 H MET 3 H MET 3 -8.202 -14.581 -18.508 9 HA MET 3 HA MET 3 -10.411 -13.410 -19.720 10 HB2 MET 3 HB2 MET 3 -9.460 -13.201 -16.860 11 HB3 MET 3 HB3 MET 3 -11.034 -12.650 -17.414 12 HG2 MET 3 HG2 MET 3 -10.019 -15.479 -17.557 13 HG3 MET 3 HG3 MET 3 -11.138 -14.845 -16.351 14 HE1 MET 3 HE1 MET 3 -12.871 -16.776 -16.900 15 HE2 MET 3 HE2 MET 3 -11.747 -17.431 -18.091 16 HE3 MET 3 HE3 MET 3 -13.432 -17.152 -18.529 17 H SER 4 H SER 4 -10.214 -11.681 -20.961 18 HA SER 4 HA SER 4 -9.591 -9.148 -19.765 19 HB2 SER 4 HB2 SER 4 -7.892 -8.637 -21.617 20 HB3 SER 4 HB3 SER 4 -7.345 -9.700 -20.320 21 HG SER 4 HG SER 4 -7.972 -11.474 -21.756 22 H SER 5 H SER 5 -9.381 -7.640 -22.103 23 HA SER 5 HA SER 5 -12.062 -7.963 -23.183 24 HB2 SER 5 HB2 SER 5 -11.577 -5.702 -24.186 25 HB3 SER 5 HB3 SER 5 -11.502 -5.755 -22.424 26 HG SER 5 HG SER 5 -9.279 -5.914 -24.192 27 H VAL 6 H VAL 6 -9.761 -9.727 -23.954 28 HA VAL 6 HA VAL 6 -9.036 -8.938 -26.590 29 HB VAL 6 HB VAL 6 -7.455 -10.208 -25.298 30 HG11 VAL 6 HG11 VAL 6 -9.433 -12.479 -25.369 31 HG12 VAL 6 HG12 VAL 6 -8.925 -11.572 -23.945 32 HG13 VAL 6 HG13 VAL 6 -7.769 -12.597 -24.796 33 HG21 VAL 6 HG21 VAL 6 -8.427 -11.776 -27.676 34 HG22 VAL 6 HG22 VAL 6 -6.827 -11.906 -26.946 35 HG23 VAL 6 HG23 VAL 6 -7.328 -10.397 -27.710 36 H PHE 7 H PHE 7 -10.725 -8.709 -27.852 37 HA PHE 7 HA PHE 7 -12.643 -10.873 -28.234 38 HB2 PHE 7 HB2 PHE 7 -13.238 -8.368 -28.147 39 HB3 PHE 7 HB3 PHE 7 -12.526 -8.257 -29.747 40 HD1 PHE 7 HD1 PHE 7 -15.191 -9.950 -27.807 41 HD2 PHE 7 HD2 PHE 7 -13.794 -8.771 -31.648 42 HE1 PHE 7 HE1 PHE 7 -17.353 -10.593 -28.786 43 HE2 PHE 7 HE2 PHE 7 -15.951 -9.415 -32.635 44 HZ PHE 7 HZ PHE 7 -17.736 -10.327 -31.203 45 H GLY 8 H GLY 8 -9.665 -10.502 -29.132 46 HA2 GLY 8 HA2 GLY 8 -10.051 -11.814 -31.710 47 HA3 GLY 8 HA3 GLY 8 -9.046 -10.367 -31.596 48 H ALA 9 H ALA 9 -7.106 -11.202 -32.046 49 HA ALA 9 HA ALA 9 -6.063 -13.362 -30.355 50 HB1 ALA 9 HB1 ALA 9 -4.893 -12.076 -32.824 51 HB2 ALA 9 HB2 ALA 9 -5.712 -13.636 -32.764 52 HB3 ALA 9 HB3 ALA 9 -4.177 -13.412 -31.926 53 H GLY 10 H GLY 10 -6.484 -10.231 -30.202 54 HA2 GLY 10 HA2 GLY 10 -5.651 -8.750 -28.651 55 HA3 GLY 10 HA3 GLY 10 -4.380 -9.906 -28.287 56 H CYS 11 H CYS 11 -3.196 -10.278 -30.639 57 HA CYS 11 HA CYS 11 -2.453 -7.807 -31.873 58 HB2 CYS 11 HB2 CYS 11 -1.367 -7.382 -29.806 59 HB3 CYS 11 HB3 CYS 11 -0.725 -9.016 -29.704 60 H THR 12 H THR 12 -0.919 -8.173 -33.602 61 HA THR 12 HA THR 12 -0.789 -11.013 -34.370 62 HB THR 12 HB THR 12 -2.034 -9.550 -35.953 63 HG1 THR 12 HG1 THR 12 -0.945 -11.348 -36.824 64 HG21 THR 12 HG21 THR 12 -0.807 -7.465 -35.606 65 HG22 THR 12 HG22 THR 12 -0.795 -7.915 -37.312 66 HG23 THR 12 HG23 THR 12 0.635 -8.186 -36.319 67 H ASP 13 H ASP 13 1.055 -11.827 -35.365 68 HA ASP 13 HA ASP 13 3.517 -11.249 -34.210 69 HB2 ASP 13 HB2 ASP 13 2.828 -12.597 -36.820 70 HB3 ASP 13 HB3 ASP 13 4.455 -12.576 -36.150 71 H THR 14 H THR 14 1.971 -10.064 -37.093 72 HA THR 14 HA THR 14 4.167 -8.899 -38.371 73 HB THR 14 HB THR 14 1.480 -7.662 -38.674 74 HG1 THR 14 HG1 THR 14 0.710 -9.705 -38.657 75 HG21 THR 14 HG21 THR 14 3.623 -8.675 -40.536 76 HG22 THR 14 HG22 THR 14 3.285 -6.992 -40.127 77 HG23 THR 14 HG23 THR 14 2.114 -7.924 -41.066 78 H CYS 15 H CYS 15 2.368 -7.834 -35.648 79 HA CYS 15 HA CYS 15 2.961 -5.043 -35.967 80 HB2 CYS 15 HB2 CYS 15 0.967 -5.795 -34.820 81 HB3 CYS 15 HB3 CYS 15 1.951 -6.623 -33.614 82 H LYS 16 H LYS 16 4.398 -7.792 -34.471 83 HA LYS 16 HA LYS 16 6.057 -6.373 -32.628 84 HB2 LYS 16 HB2 LYS 16 6.251 -9.212 -33.640 85 HB3 LYS 16 HB3 LYS 16 7.061 -8.562 -32.219 86 HG2 LYS 16 HG2 LYS 16 5.053 -8.342 -31.032 87 HG3 LYS 16 HG3 LYS 16 4.075 -8.507 -32.488 88 HD2 LYS 16 HD2 LYS 16 3.892 -10.539 -31.287 89 HD3 LYS 16 HD3 LYS 16 4.925 -10.858 -32.676 90 HE2 LYS 16 HE2 LYS 16 5.892 -11.935 -30.762 91 HE3 LYS 16 HE3 LYS 16 6.905 -10.559 -31.189 92 HZ1 LYS 16 HZ1 LYS 16 6.497 -10.766 -28.790 93 HZ2 LYS 16 HZ2 LYS 16 4.845 -10.525 -29.045 94 HZ3 LYS 16 HZ3 LYS 16 5.943 -9.297 -29.411 95 H GLN 17 H GLN 17 6.195 -6.100 -35.778 96 HA GLN 17 HA GLN 17 9.004 -6.718 -36.207 97 HB2 GLN 17 HB2 GLN 17 7.071 -5.425 -38.128 98 HB3 GLN 17 HB3 GLN 17 8.646 -6.095 -38.511 99 HG2 GLN 17 HG2 GLN 17 6.118 -7.530 -37.811 100 HG3 GLN 17 HG3 GLN 17 7.089 -7.660 -39.274 101 HE21 GLN 17 HE21 GLN 17 6.554 -8.797 -36.114 102 HE22 GLN 17 HE22 GLN 17 7.789 -9.996 -36.099 103 H THR 18 H THR 18 10.317 -5.004 -37.372 104 HA THR 18 HA THR 18 9.705 -2.280 -36.538 105 HB THR 18 HB THR 18 12.210 -2.121 -35.824 106 HG1 THR 18 HG1 THR 18 11.802 -4.823 -35.089 107 HG21 THR 18 HG21 THR 18 11.634 -2.705 -33.502 108 HG22 THR 18 HG22 THR 18 10.187 -3.532 -34.075 109 HG23 THR 18 HG23 THR 18 10.342 -1.788 -34.278 110 HA PRO 19 HA PRO 19 9.337 -0.560 -37.455 111 HB2 PRO 19 HB2 PRO 19 8.363 -0.101 -40.185 112 HB3 PRO 19 HB3 PRO 19 8.881 1.068 -38.967 113 HG2 PRO 19 HG2 PRO 19 10.350 0.574 -41.182 114 HG3 PRO 19 HG3 PRO 19 11.093 0.989 -39.629 115 HD2 PRO 19 HD2 PRO 19 10.807 -1.690 -40.942 116 HD3 PRO 19 HD3 PRO 19 12.183 -1.017 -40.042 117 H CYS 20 H CYS 20 6.858 -0.554 -37.685 118 HA CYS 20 HA CYS 20 5.744 -3.032 -37.364 119 HB2 CYS 20 HB2 CYS 20 4.682 -0.342 -37.874 120 HB3 CYS 20 HB3 CYS 20 3.613 -1.624 -38.417 121 H GLY 21 H GLY 21 5.013 -4.656 -38.603 122 HA2 GLY 21 HA2 GLY 21 5.664 -4.553 -41.419 123 HA3 GLY 21 HA3 GLY 21 5.139 -5.965 -40.517 124 H CYS 22 H CYS 22 2.890 -3.972 -39.563 125 HA CYS 22 HA CYS 22 0.865 -4.949 -41.223 126 HB2 CYS 22 HB2 CYS 22 0.885 -2.505 -39.441 127 HB3 CYS 22 HB3 CYS 22 -0.560 -3.199 -40.165 128 H GLY 23 H GLY 23 2.483 -1.785 -41.197 129 HA2 GLY 23 HA2 GLY 23 2.728 -0.192 -42.820 130 HA3 GLY 23 HA3 GLY 23 2.426 -1.474 -43.984 131 H SER 24 H SER 24 0.615 -1.385 -45.134 132 HA SER 24 HA SER 24 -1.295 0.710 -44.507 133 HB2 SER 24 HB2 SER 24 -2.164 0.196 -46.810 134 HB3 SER 24 HB3 SER 24 -0.488 0.740 -46.761 135 HG SER 24 HG SER 24 -1.137 -1.229 -48.077 136 H GLY 25 H GLY 25 -0.957 -2.609 -44.033 137 HA2 GLY 25 HA2 GLY 25 -3.880 -2.877 -43.755 138 HA3 GLY 25 HA3 GLY 25 -2.892 -4.169 -44.409 139 H CYS 26 H CYS 26 -4.176 -2.769 -41.654 140 HA CYS 26 HA CYS 26 -2.338 -4.033 -39.815 141 HB2 CYS 26 HB2 CYS 26 -3.176 -1.892 -39.175 142 HB3 CYS 26 HB3 CYS 26 -4.841 -2.415 -39.415 143 H ASN 27 H ASN 27 -2.700 -5.838 -38.644 144 HA ASN 27 HA ASN 27 -5.136 -7.366 -39.294 145 HB2 ASN 27 HB2 ASN 27 -2.917 -8.327 -40.019 146 HB3 ASN 27 HB3 ASN 27 -2.494 -8.475 -38.319 147 HD21 ASN 27 HD21 ASN 27 -5.676 -9.054 -39.718 148 HD22 ASN 27 HD22 ASN 27 -5.716 -10.743 -39.373 149 H CYS 28 H CYS 28 -3.594 -5.690 -36.796 150 HA CYS 28 HA CYS 28 -4.430 -7.353 -34.612 151 HB2 CYS 28 HB2 CYS 28 -3.608 -4.428 -34.551 152 HB3 CYS 28 HB3 CYS 28 -3.693 -5.528 -33.175 153 H LYS 29 H LYS 29 -5.808 -6.123 -32.837 154 HA LYS 29 HA LYS 29 -8.087 -4.861 -34.153 155 HB2 LYS 29 HB2 LYS 29 -9.607 -6.089 -32.530 156 HB3 LYS 29 HB3 LYS 29 -8.948 -7.035 -33.843 157 HG2 LYS 29 HG2 LYS 29 -7.661 -7.005 -31.142 158 HG3 LYS 29 HG3 LYS 29 -9.031 -8.053 -31.496 159 HD2 LYS 29 HD2 LYS 29 -6.399 -8.015 -32.972 160 HD3 LYS 29 HD3 LYS 29 -6.877 -9.227 -31.778 161 HE2 LYS 29 HE2 LYS 29 -7.427 -10.344 -33.696 162 HE3 LYS 29 HE3 LYS 29 -8.939 -9.489 -33.428 163 HZ1 LYS 29 HZ1 LYS 29 -6.763 -8.694 -35.308 164 HZ2 LYS 29 HZ2 LYS 29 -8.154 -7.775 -35.023 165 HZ3 LYS 29 HZ3 LYS 29 -8.286 -9.305 -35.719 166 H GLU 30 H GLU 30 -9.700 -4.297 -32.022 167 HA GLU 30 HA GLU 30 -8.324 -2.066 -30.925 168 HB2 GLU 30 HB2 GLU 30 -10.392 -1.620 -29.665 169 HB3 GLU 30 HB3 GLU 30 -10.690 -1.901 -31.371 170 HG2 GLU 30 HG2 GLU 30 -10.965 -4.125 -29.393 171 HG3 GLU 30 HG3 GLU 30 -12.261 -2.951 -29.617 172 H ASP 31 H ASP 31 -8.100 -5.204 -30.065 173 HA ASP 31 HA ASP 31 -7.977 -4.906 -27.222 174 HB2 ASP 31 HB2 ASP 31 -8.347 -7.157 -28.355 175 HB3 ASP 31 HB3 ASP 31 -6.690 -7.072 -28.919 176 H CYS 32 H CYS 32 -5.934 -4.292 -29.894 177 HA CYS 32 HA CYS 32 -3.469 -4.270 -28.385 178 HB2 CYS 32 HB2 CYS 32 -3.702 -4.979 -30.827 179 HB3 CYS 32 HB3 CYS 32 -3.930 -3.278 -31.206 180 H ARG 33 H ARG 33 -2.078 -2.209 -28.605 181 HA ARG 33 HA ARG 33 -3.694 0.232 -28.478 182 HB2 ARG 33 HB2 ARG 33 -3.478 -0.743 -26.159 183 HB3 ARG 33 HB3 ARG 33 -1.739 -0.552 -26.294 184 HG2 ARG 33 HG2 ARG 33 -2.599 1.262 -24.991 185 HG3 ARG 33 HG3 ARG 33 -2.088 1.904 -26.551 186 HD2 ARG 33 HD2 ARG 33 -4.426 1.848 -27.316 187 HD3 ARG 33 HD3 ARG 33 -4.917 1.243 -25.738 188 HE ARG 33 HE ARG 33 -3.498 3.654 -25.419 189 HH11 ARG 33 HH11 ARG 33 -6.575 2.475 -26.626 190 HH12 ARG 33 HH12 ARG 33 -7.430 3.936 -26.281 191 HH21 ARG 33 HH21 ARG 33 -4.637 5.605 -24.948 192 HH22 ARG 33 HH22 ARG 33 -6.324 5.722 -25.322 193 H CYS 34 H CYS 34 -1.898 -0.649 -30.513 194 HA CYS 34 HA CYS 34 0.525 0.910 -30.056 195 HB2 CYS 34 HB2 CYS 34 0.388 -1.463 -31.227 196 HB3 CYS 34 HB3 CYS 34 -0.007 -0.487 -32.640 197 H GLN 35 H GLN 35 0.993 2.742 -31.071 198 HA GLN 35 HA GLN 35 -1.235 4.158 -32.220 199 HB2 GLN 35 HB2 GLN 35 1.592 4.989 -31.587 200 HB3 GLN 35 HB3 GLN 35 0.367 6.077 -32.229 201 HG2 GLN 35 HG2 GLN 35 0.022 4.534 -29.676 202 HG3 GLN 35 HG3 GLN 35 0.702 6.159 -29.746 203 HE21 GLN 35 HE21 GLN 35 -1.794 5.048 -28.560 204 HE22 GLN 35 HE22 GLN 35 -3.060 6.050 -29.185 205 H SER 36 H SER 36 1.339 2.321 -33.446 206 HA SER 36 HA SER 36 1.766 3.763 -35.854 207 HB2 SER 36 HB2 SER 36 2.399 0.879 -35.217 208 HB3 SER 36 HB3 SER 36 3.062 1.819 -36.556 209 HG SER 36 HG SER 36 4.459 1.738 -34.725 210 H CYS 37 H CYS 37 -0.282 1.028 -34.973 211 HA CYS 37 HA CYS 37 -1.450 1.109 -37.676 212 HB2 CYS 37 HB2 CYS 37 -2.195 -1.274 -36.975 213 HB3 CYS 37 HB3 CYS 37 -0.523 -1.009 -37.466 214 H LYS 38 H LYS 38 -2.187 2.806 -35.500 215 HA LYS 38 HA LYS 38 -4.689 1.757 -34.451 216 HB2 LYS 38 HB2 LYS 38 -2.921 3.109 -33.117 217 HB3 LYS 38 HB3 LYS 38 -3.590 4.509 -33.947 218 HG2 LYS 38 HG2 LYS 38 -5.709 2.939 -32.831 219 HG3 LYS 38 HG3 LYS 38 -4.499 3.280 -31.595 220 HD2 LYS 38 HD2 LYS 38 -5.857 5.324 -33.359 221 HD3 LYS 38 HD3 LYS 38 -6.241 5.002 -31.670 222 HE2 LYS 38 HE2 LYS 38 -3.890 5.614 -31.108 223 HE3 LYS 38 HE3 LYS 38 -3.672 6.099 -32.786 224 HZ1 LYS 38 HZ1 LYS 38 -5.594 7.258 -30.857 225 HZ2 LYS 38 HZ2 LYS 38 -5.481 7.700 -32.486 226 HZ3 LYS 38 HZ3 LYS 38 -4.182 7.988 -31.437 227 H TYR 39 H TYR 39 -5.005 1.777 -36.920 228 HA TYR 39 HA TYR 39 -5.770 4.303 -38.060 229 HB2 TYR 39 HB2 TYR 39 -6.139 1.506 -39.114 230 HB3 TYR 39 HB3 TYR 39 -6.430 2.982 -40.019 231 HD1 TYR 39 HD1 TYR 39 -4.093 0.453 -39.268 232 HD2 TYR 39 HD2 TYR 39 -4.368 4.585 -40.239 233 HE1 TYR 39 HE1 TYR 39 -1.757 0.423 -40.029 234 HE2 TYR 39 HE2 TYR 39 -2.032 4.566 -41.001 235 HH TYR 39 HH TYR 39 -0.315 1.719 -41.577 236 H GLY 40 H GLY 40 -7.858 4.628 -39.016 237 HA2 GLY 40 HA2 GLY 40 -10.159 3.185 -38.161 238 HA3 GLY 40 HA3 GLY 40 -9.947 4.684 -37.252 239 H ALA 41 H ALA 41 -9.232 6.527 -38.766 240 HA ALA 41 HA ALA 41 -11.255 6.732 -40.831 241 HB1 ALA 41 HB1 ALA 41 -9.356 8.798 -39.729 242 HB2 ALA 41 HB2 ALA 41 -11.019 8.542 -39.201 243 HB3 ALA 41 HB3 ALA 41 -10.690 9.100 -40.844 244 H GLY 42 H GLY 42 -9.861 5.008 -41.854 245 HA2 GLY 42 HA2 GLY 42 -8.578 6.049 -44.125 246 HA3 GLY 42 HA3 GLY 42 -7.343 5.548 -42.975 247 H CYS 43 H CYS 43 -8.336 3.308 -41.871 248 HA CYS 43 HA CYS 43 -8.762 1.525 -44.169 249 HB2 CYS 43 HB2 CYS 43 -6.583 1.258 -42.946 250 HB3 CYS 43 HB3 CYS 43 -7.496 0.872 -41.494 251 H THR 44 H THR 44 -10.435 0.070 -44.059 252 HA THR 44 HA THR 44 -12.696 0.837 -42.668 253 HB THR 44 HB THR 44 -13.185 -1.793 -43.248 254 HG1 THR 44 HG1 THR 44 -11.785 -2.474 -44.727 255 HG21 THR 44 HG21 THR 44 -14.529 0.078 -43.977 256 HG22 THR 44 HG22 THR 44 -14.089 -0.899 -45.381 257 HG23 THR 44 HG23 THR 44 -13.242 0.615 -45.052 258 H ASP 45 H ASP 45 -13.271 0.652 -40.619 259 HA ASP 45 HA ASP 45 -11.880 -0.731 -38.631 260 HB2 ASP 45 HB2 ASP 45 -14.836 -0.070 -38.606 261 HB3 ASP 45 HB3 ASP 45 -13.821 -0.369 -37.202 262 H VAL 46 H VAL 46 -14.374 -1.712 -40.803 263 HA VAL 46 HA VAL 46 -15.178 -4.117 -39.589 264 HB VAL 46 HB VAL 46 -15.187 -3.474 -42.548 265 HG11 VAL 46 HG11 VAL 46 -15.711 -5.796 -42.033 266 HG12 VAL 46 HG12 VAL 46 -17.138 -4.942 -42.619 267 HG13 VAL 46 HG13 VAL 46 -16.953 -5.272 -40.897 268 HG21 VAL 46 HG21 VAL 46 -17.199 -2.760 -40.424 269 HG22 VAL 46 HG22 VAL 46 -17.450 -2.573 -42.161 270 HG23 VAL 46 HG23 VAL 46 -16.197 -1.637 -41.344 271 H CYS 47 H CYS 47 -12.362 -3.254 -41.381 272 HA CYS 47 HA CYS 47 -11.623 -5.978 -42.004 273 HB2 CYS 47 HB2 CYS 47 -11.002 -4.196 -43.565 274 HB3 CYS 47 HB3 CYS 47 -10.120 -3.369 -42.292 275 H LYS 48 H LYS 48 -11.071 -3.606 -39.477 276 HA LYS 48 HA LYS 48 -8.800 -4.857 -38.301 277 HB2 LYS 48 HB2 LYS 48 -10.844 -2.880 -37.303 278 HB3 LYS 48 HB3 LYS 48 -9.601 -3.525 -36.247 279 HG2 LYS 48 HG2 LYS 48 -8.871 -1.430 -37.011 280 HG3 LYS 48 HG3 LYS 48 -7.896 -2.633 -37.851 281 HD2 LYS 48 HD2 LYS 48 -10.176 -2.072 -39.445 282 HD3 LYS 48 HD3 LYS 48 -9.505 -0.529 -38.915 283 HE2 LYS 48 HE2 LYS 48 -8.474 -1.152 -40.994 284 HE3 LYS 48 HE3 LYS 48 -7.280 -1.270 -39.706 285 HZ1 LYS 48 HZ1 LYS 48 -8.785 -3.589 -40.818 286 HZ2 LYS 48 HZ2 LYS 48 -7.509 -3.664 -39.713 287 HZ3 LYS 48 HZ3 LYS 48 -7.233 -3.150 -41.297 288 H GLN 49 H GLN 49 -11.987 -5.718 -38.567 289 HA GLN 49 HA GLN 49 -12.351 -7.021 -36.038 290 HB2 GLN 49 HB2 GLN 49 -13.916 -7.372 -38.599 291 HB3 GLN 49 HB3 GLN 49 -14.448 -7.755 -36.962 292 HG2 GLN 49 HG2 GLN 49 -14.477 -5.412 -36.385 293 HG3 GLN 49 HG3 GLN 49 -13.808 -4.996 -37.958 294 HE21 GLN 49 HE21 GLN 49 -16.260 -4.116 -36.740 295 HE22 GLN 49 HE22 GLN 49 -17.540 -4.592 -37.801 296 H THR 50 H THR 50 -12.690 -9.330 -35.886 297 HA THR 50 HA THR 50 -11.555 -10.928 -38.006 298 HB THR 50 HB THR 50 -10.496 -11.124 -35.173 299 HG1 THR 50 HG1 THR 50 -9.745 -9.671 -37.397 300 HG21 THR 50 HG21 THR 50 -10.538 -13.281 -36.323 301 HG22 THR 50 HG22 THR 50 -8.876 -12.698 -36.211 302 HG23 THR 50 HG23 THR 50 -9.757 -12.565 -37.730 303 HA PRO 51 HA PRO 51 -11.794 -12.689 -38.947 304 HB2 PRO 51 HB2 PRO 51 -13.844 -13.503 -40.521 305 HB3 PRO 51 HB3 PRO 51 -12.940 -14.614 -39.484 306 HG2 PRO 51 HG2 PRO 51 -15.579 -13.292 -38.990 307 HG3 PRO 51 HG3 PRO 51 -15.096 -14.974 -38.703 308 HD2 PRO 51 HD2 PRO 51 -15.196 -13.142 -36.724 309 HD3 PRO 51 HD3 PRO 51 -14.009 -14.460 -36.739 310 H CYS 52 H CYS 52 -11.808 -11.486 -40.861 311 HA CYS 52 HA CYS 52 -12.710 -8.861 -40.663 312 HB2 CYS 52 HB2 CYS 52 -10.797 -9.517 -42.005 313 HB3 CYS 52 HB3 CYS 52 -11.850 -10.454 -43.062 314 H GLY 53 H GLY 53 -14.380 -7.739 -41.669 315 HA2 GLY 53 HA2 GLY 53 -16.530 -9.491 -42.665 316 HA3 GLY 53 HA3 GLY 53 -16.820 -8.023 -41.742 317 H CYS 54 H CYS 54 -14.309 -7.511 -43.893 318 HA CYS 54 HA CYS 54 -15.808 -5.695 -45.449 319 HB2 CYS 54 HB2 CYS 54 -13.064 -6.835 -45.746 320 HB3 CYS 54 HB3 CYS 54 -13.742 -5.750 -46.958 321 H ALA 55 H ALA 55 -15.644 -9.025 -45.704 322 HA ALA 55 HA ALA 55 -16.446 -8.916 -48.523 323 HB1 ALA 55 HB1 ALA 55 -15.970 -11.311 -48.590 324 HB2 ALA 55 HB2 ALA 55 -15.578 -11.284 -46.871 325 HB3 ALA 55 HB3 ALA 55 -14.565 -10.410 -48.022 326 H THR 56 H THR 56 -17.831 -8.621 -45.724 327 HA THR 56 HA THR 56 -20.175 -10.254 -46.423 328 HB THR 56 HB THR 56 -19.349 -9.510 -43.609 329 HG1 THR 56 HG1 THR 56 -19.033 -12.027 -44.919 330 HG21 THR 56 HG21 THR 56 -21.738 -10.002 -43.921 331 HG22 THR 56 HG22 THR 56 -20.949 -11.262 -42.973 332 HG23 THR 56 HG23 THR 56 -21.325 -11.543 -44.673 333 H SER 57 H SER 57 -18.987 -7.230 -44.980 334 HA SER 57 HA SER 57 -21.732 -6.175 -45.059 335 HB2 SER 57 HB2 SER 57 -20.635 -6.127 -42.851 336 HB3 SER 57 HB3 SER 57 -19.336 -5.146 -43.523 337 HG SER 57 HG SER 57 -21.435 -4.228 -42.423 338 H GLY 58 H GLY 58 -18.429 -5.538 -46.118 339 HA2 GLY 58 HA2 GLY 58 -18.907 -4.235 -48.418 340 HA3 GLY 58 HA3 GLY 58 -19.111 -2.963 -47.216 341 H CYS 59 H CYS 59 -17.092 -2.881 -49.148 342 HA CYS 59 HA CYS 59 -14.730 -3.198 -47.448 343 HB2 CYS 59 HB2 CYS 59 -14.982 -5.158 -48.957 344 HB3 CYS 59 HB3 CYS 59 -14.887 -4.066 -50.332 345 H ASN 60 H ASN 60 -13.210 -1.608 -47.676 346 HA ASN 60 HA ASN 60 -13.737 0.448 -49.727 347 HB2 ASN 60 HB2 ASN 60 -12.643 0.820 -46.931 348 HB3 ASN 60 HB3 ASN 60 -12.601 2.070 -48.162 349 HD21 ASN 60 HD21 ASN 60 -13.897 3.495 -47.124 350 HD22 ASN 60 HD22 ASN 60 -15.576 3.233 -46.819 351 H CYS 61 H CYS 61 -11.184 -1.116 -47.806 352 HA CYS 61 HA CYS 61 -9.069 0.025 -49.304 353 HB2 CYS 61 HB2 CYS 61 -7.748 -1.875 -48.148 354 HB3 CYS 61 HB3 CYS 61 -8.455 -0.608 -47.152 355 H THR 62 H THR 62 -7.355 -1.710 -50.181 356 HA THR 62 HA THR 62 -8.824 -3.265 -52.207 357 HB THR 62 HB THR 62 -6.857 -2.752 -53.714 358 HG1 THR 62 HG1 THR 62 -6.310 -0.776 -51.730 359 HG21 THR 62 HG21 THR 62 -7.623 -0.465 -54.241 360 HG22 THR 62 HG22 THR 62 -8.503 -0.420 -52.715 361 HG23 THR 62 HG23 THR 62 -8.975 -1.563 -53.972 362 H ASP 63 H ASP 63 -6.905 -4.608 -53.445 363 HA ASP 63 HA ASP 63 -6.120 -6.672 -51.663 364 HB2 ASP 63 HB2 ASP 63 -5.286 -6.123 -54.526 365 HB3 ASP 63 HB3 ASP 63 -4.947 -7.615 -53.657 366 H ASP 64 H ASP 64 -4.921 -3.724 -51.843 367 HA ASP 64 HA ASP 64 -2.073 -4.159 -51.790 368 HB2 ASP 64 HB2 ASP 64 -3.031 -2.028 -52.556 369 HB3 ASP 64 HB3 ASP 64 -3.784 -1.791 -50.992 370 H CYS 65 H CYS 65 -4.663 -4.440 -49.655 371 HA CYS 65 HA CYS 65 -3.311 -3.747 -47.225 372 HB2 CYS 65 HB2 CYS 65 -5.871 -3.741 -47.810 373 HB3 CYS 65 HB3 CYS 65 -5.793 -5.436 -47.346 374 H LYS 66 H LYS 66 -2.622 -5.184 -45.591 375 HA LYS 66 HA LYS 66 -1.404 -7.595 -46.474 376 HB2 LYS 66 HB2 LYS 66 -1.647 -6.219 -43.832 377 HB3 LYS 66 HB3 LYS 66 -1.124 -7.889 -43.856 378 HG2 LYS 66 HG2 LYS 66 0.237 -5.688 -45.403 379 HG3 LYS 66 HG3 LYS 66 0.707 -6.179 -43.780 380 HD2 LYS 66 HD2 LYS 66 0.754 -7.922 -46.265 381 HD3 LYS 66 HD3 LYS 66 2.156 -7.222 -45.463 382 HE2 LYS 66 HE2 LYS 66 2.203 -9.356 -44.612 383 HE3 LYS 66 HE3 LYS 66 1.232 -8.546 -43.388 384 HZ1 LYS 66 HZ1 LYS 66 0.166 -10.166 -45.648 385 HZ2 LYS 66 HZ2 LYS 66 -0.772 -9.409 -44.468 386 HZ3 LYS 66 HZ3 LYS 66 0.266 -10.664 -44.038 387 H CYS 67 H CYS 67 -4.570 -6.947 -45.590 388 HA CYS 67 HA CYS 67 -5.075 -9.575 -44.470 389 HB2 CYS 67 HB2 CYS 67 -6.300 -7.562 -43.628 390 HB3 CYS 67 HB3 CYS 67 -7.076 -7.432 -45.205 391 H GLN 68 H GLN 68 -6.496 -11.080 -45.458 392 HA GLN 68 HA GLN 68 -6.489 -10.822 -48.386 393 HB2 GLN 68 HB2 GLN 68 -6.027 -13.266 -46.711 394 HB3 GLN 68 HB3 GLN 68 -6.163 -13.257 -48.464 395 HG2 GLN 68 HG2 GLN 68 -4.164 -12.074 -48.724 396 HG3 GLN 68 HG3 GLN 68 -4.124 -11.606 -47.023 397 HE21 GLN 68 HE21 GLN 68 -2.061 -12.463 -46.797 398 HE22 GLN 68 HE22 GLN 68 -1.795 -14.169 -46.713 399 H SER 69 H SER 69 -8.535 -10.855 -45.843 400 HA SER 69 HA SER 69 -10.461 -12.738 -46.790 401 HB2 SER 69 HB2 SER 69 -10.766 -10.440 -44.852 402 HB3 SER 69 HB3 SER 69 -11.956 -11.718 -45.117 403 HG SER 69 HG SER 69 -10.271 -13.216 -44.488 404 H CYS 70 H CYS 70 -9.860 -9.335 -47.266 405 HA CYS 70 HA CYS 70 -12.234 -9.131 -48.971 406 HB2 CYS 70 HB2 CYS 70 -11.446 -6.640 -48.875 407 HB3 CYS 70 HB3 CYS 70 -12.298 -7.365 -47.512 408 H SER 71 H SER 71 -9.013 -9.794 -49.198 409 HA SER 71 HA SER 71 -8.719 -8.590 -51.849 410 HB2 SER 71 HB2 SER 71 -6.644 -10.029 -50.176 411 HB3 SER 71 HB3 SER 71 -6.355 -9.090 -51.639 412 HG SER 71 HG SER 71 -6.294 -8.199 -49.190 413 H THR 72 H THR 72 -7.730 -10.051 -53.531 414 HA THR 72 HA THR 72 -9.176 -12.550 -53.488 415 HB THR 72 HB THR 72 -8.989 -11.110 -55.571 416 HG1 THR 72 HG1 THR 72 -9.394 -13.518 -55.447 417 HG21 THR 72 HG21 THR 72 -6.256 -12.322 -55.745 418 HG22 THR 72 HG22 THR 72 -6.577 -10.629 -55.355 419 HG23 THR 72 HG23 THR 72 -7.023 -11.274 -56.938 420 H ALA 73 H ALA 73 -8.299 -14.567 -53.492 421 HA ALA 73 HA ALA 73 -5.873 -14.809 -51.979 422 HB1 ALA 73 HB1 ALA 73 -7.681 -16.941 -53.107 423 HB2 ALA 73 HB2 ALA 73 -7.793 -16.231 -51.496 424 HB3 ALA 73 HB3 ALA 73 -6.386 -17.200 -51.939 425 H CYS 74 H CYS 74 -3.957 -15.781 -52.590 426 HA CYS 74 HA CYS 74 -3.215 -15.576 -55.319 427 HB2 CYS 74 HB2 CYS 74 -1.771 -15.564 -53.065 428 HB3 CYS 74 HB3 CYS 74 -1.643 -17.279 -53.453 429 H LYS 75 H LYS 75 -2.956 -17.188 -56.830 430 HA LYS 75 HA LYS 75 -4.696 -19.451 -56.406 431 HB2 LYS 75 HB2 LYS 75 -3.145 -18.643 -58.842 432 HB3 LYS 75 HB3 LYS 75 -4.432 -19.842 -58.779 433 HG2 LYS 75 HG2 LYS 75 -6.072 -18.261 -58.473 434 HG3 LYS 75 HG3 LYS 75 -4.934 -17.048 -57.881 435 HD2 LYS 75 HD2 LYS 75 -5.645 -16.475 -60.101 436 HD3 LYS 75 HD3 LYS 75 -3.944 -16.939 -60.109 437 HE2 LYS 75 HE2 LYS 75 -4.483 -19.106 -60.971 438 HE3 LYS 75 HE3 LYS 75 -6.210 -18.778 -60.836 439 HZ1 LYS 75 HZ1 LYS 75 -6.009 -17.080 -62.498 440 HZ2 LYS 75 HZ2 LYS 75 -5.352 -18.518 -63.101 441 HZ3 LYS 75 HZ3 LYS 75 -4.333 -17.283 -62.572 442 H CYS 76 H CYS 76 -1.428 -18.961 -56.013 443 HA CYS 76 HA CYS 76 -0.361 -21.349 -57.012 444 HB2 CYS 76 HB2 CYS 76 0.566 -19.529 -54.823 445 HB3 CYS 76 HB3 CYS 76 1.487 -20.926 -55.378 446 H ALA 77 H ALA 77 0.609 -23.057 -55.748 447 HA ALA 77 HA ALA 77 -1.039 -23.850 -53.451 448 HB1 ALA 77 HB1 ALA 77 -1.597 -25.179 -55.440 449 HB2 ALA 77 HB2 ALA 77 -0.828 -26.164 -54.195 450 HB3 ALA 77 HB3 ALA 77 0.100 -25.636 -55.598 451 H ALA 78 H ALA 78 0.154 -25.664 -52.221 452 HA ALA 78 HA ALA 78 2.609 -24.616 -51.315 453 HB1 ALA 78 HB1 ALA 78 1.095 -25.891 -49.874 454 HB2 ALA 78 HB2 ALA 78 2.712 -26.593 -49.894 455 HB3 ALA 78 HB3 ALA 78 1.415 -27.342 -50.823 456 H GLY 79 H GLY 79 4.108 -24.506 -52.908 457 HA2 GLY 79 HA2 GLY 79 6.133 -25.594 -53.619 458 HA3 GLY 79 HA3 GLY 79 5.216 -27.084 -53.784 459 H SER 80 H SER 80 3.683 -24.239 -54.954 460 HA SER 80 HA SER 80 4.725 -24.601 -57.645 461 HB2 SER 80 HB2 SER 80 1.769 -24.868 -57.052 462 HB3 SER 80 HB3 SER 80 2.523 -24.916 -58.644 463 HG SER 80 HG SER 80 3.754 -26.702 -57.121 464 H CYS 81 H CYS 81 5.518 -22.489 -57.558 465 HA CYS 81 HA CYS 81 3.586 -20.328 -57.240 466 HB2 CYS 81 HB2 CYS 81 6.585 -20.443 -57.358 467 HB3 CYS 81 HB3 CYS 81 5.722 -18.926 -57.547 468 H LYS 82 H LYS 82 2.761 -19.269 -58.916 469 HA LYS 82 HA LYS 82 3.732 -19.970 -61.594 470 HB2 LYS 82 HB2 LYS 82 1.127 -18.774 -60.639 471 HB3 LYS 82 HB3 LYS 82 1.559 -18.870 -62.340 472 HG2 LYS 82 HG2 LYS 82 0.106 -20.710 -61.741 473 HG3 LYS 82 HG3 LYS 82 1.708 -21.317 -62.153 474 HD2 LYS 82 HD2 LYS 82 2.229 -21.365 -59.707 475 HD3 LYS 82 HD3 LYS 82 0.539 -20.962 -59.399 476 HE2 LYS 82 HE2 LYS 82 1.521 -23.395 -60.892 477 HE3 LYS 82 HE3 LYS 82 0.971 -23.375 -59.218 478 HZ1 LYS 82 HZ1 LYS 82 -0.699 -22.647 -61.562 479 HZ2 LYS 82 HZ2 LYS 82 -1.210 -22.722 -59.956 480 HZ3 LYS 82 HZ3 LYS 82 -0.745 -24.132 -60.758 481 H CYS 83 H CYS 83 2.579 -17.109 -59.853 482 HA CYS 83 HA CYS 83 3.647 -15.211 -61.626 483 HB2 CYS 83 HB2 CYS 83 3.435 -13.705 -59.614 484 HB3 CYS 83 HB3 CYS 83 1.962 -14.584 -60.035 485 H GLY 84 H GLY 84 4.933 -16.930 -58.856 486 HA2 GLY 84 HA2 GLY 84 7.175 -17.499 -58.509 487 HA3 GLY 84 HA3 GLY 84 7.637 -16.317 -59.721 488 H LYS 85 H LYS 85 5.594 -15.711 -56.890 489 HA LYS 85 HA LYS 85 7.618 -13.778 -56.043 490 HB2 LYS 85 HB2 LYS 85 4.701 -13.990 -55.278 491 HB3 LYS 85 HB3 LYS 85 5.805 -12.760 -54.686 492 HG2 LYS 85 HG2 LYS 85 5.044 -13.156 -57.588 493 HG3 LYS 85 HG3 LYS 85 4.345 -11.949 -56.513 494 HD2 LYS 85 HD2 LYS 85 7.273 -12.107 -57.298 495 HD3 LYS 85 HD3 LYS 85 6.092 -10.997 -57.992 496 HE2 LYS 85 HE2 LYS 85 6.918 -11.102 -55.092 497 HE3 LYS 85 HE3 LYS 85 7.469 -9.917 -56.269 498 HZ1 LYS 85 HZ1 LYS 85 4.654 -10.293 -55.396 499 HZ2 LYS 85 HZ2 LYS 85 5.195 -9.140 -56.506 500 HZ3 LYS 85 HZ3 LYS 85 5.686 -9.054 -54.891 501 H GLY 86 H GLY 86 6.815 -16.884 -55.360 502 HA2 GLY 86 HA2 GLY 86 7.715 -18.286 -53.751 503 HA3 GLY 86 HA3 GLY 86 8.409 -16.883 -52.961 504 H CYS 87 H CYS 87 5.038 -16.921 -53.604 505 HA CYS 87 HA CYS 87 4.452 -16.789 -50.775 506 HB2 CYS 87 HB2 CYS 87 2.103 -16.491 -51.874 507 HB3 CYS 87 HB3 CYS 87 3.304 -15.198 -51.952 508 H THR 88 H THR 88 3.907 -18.955 -53.484 509 HA THR 88 HA THR 88 2.954 -20.981 -53.722 510 HB THR 88 HB THR 88 3.324 -22.603 -51.758 511 HG1 THR 88 HG1 THR 88 3.739 -20.419 -50.433 512 HG21 THR 88 HG21 THR 88 5.673 -21.140 -52.965 513 HG22 THR 88 HG22 THR 88 4.796 -22.484 -53.695 514 HG23 THR 88 HG23 THR 88 5.733 -22.737 -52.221 515 H GLY 89 H GLY 89 1.063 -19.008 -52.984 516 HA2 GLY 89 HA2 GLY 89 -1.304 -19.735 -52.963 517 HA3 GLY 89 HA3 GLY 89 -0.889 -20.727 -51.576 518 HA PRO 90 HA PRO 90 -2.533 -16.393 -50.402 519 HB2 PRO 90 HB2 PRO 90 -4.661 -17.314 -48.929 520 HB3 PRO 90 HB3 PRO 90 -4.770 -16.846 -50.630 521 HG2 PRO 90 HG2 PRO 90 -4.438 -19.571 -49.432 522 HG3 PRO 90 HG3 PRO 90 -5.525 -19.059 -50.741 523 HD2 PRO 90 HD2 PRO 90 -3.244 -20.331 -51.268 524 HD3 PRO 90 HD3 PRO 90 -3.791 -18.992 -52.301 525 H ASP 91 H ASP 91 -2.284 -19.455 -48.676 526 HA ASP 91 HA ASP 91 -2.218 -18.655 -46.045 527 HB2 ASP 91 HB2 ASP 91 -2.189 -20.989 -46.636 528 HB3 ASP 91 HB3 ASP 91 -0.610 -20.821 -47.394 529 H SER 92 H SER 92 0.456 -18.644 -48.354 530 HA SER 92 HA SER 92 1.988 -17.123 -46.371 531 HB2 SER 92 HB2 SER 92 3.061 -18.930 -48.541 532 HB3 SER 92 HB3 SER 92 4.028 -18.019 -47.383 533 HG SER 92 HG SER 92 2.116 -19.537 -46.167 534 H CYS 93 H CYS 93 0.095 -16.379 -48.747 535 HA CYS 93 HA CYS 93 1.881 -14.882 -50.435 536 HB2 CYS 93 HB2 CYS 93 -0.352 -15.750 -51.252 537 HB3 CYS 93 HB3 CYS 93 -1.128 -14.552 -50.226 538 H LYS 94 H LYS 94 2.989 -13.855 -48.753 539 HA LYS 94 HA LYS 94 1.667 -11.845 -47.175 540 HB2 LYS 94 HB2 LYS 94 3.961 -11.311 -46.407 541 HB3 LYS 94 HB3 LYS 94 3.560 -13.013 -46.224 542 HG2 LYS 94 HG2 LYS 94 4.788 -13.470 -48.334 543 HG3 LYS 94 HG3 LYS 94 5.284 -11.776 -48.357 544 HD2 LYS 94 HD2 LYS 94 6.320 -12.100 -46.131 545 HD3 LYS 94 HD3 LYS 94 5.908 -13.814 -46.226 546 HE2 LYS 94 HE2 LYS 94 7.274 -14.048 -48.223 547 HE3 LYS 94 HE3 LYS 94 7.645 -12.326 -48.188 548 HZ1 LYS 94 HZ1 LYS 94 9.444 -13.640 -47.251 549 HZ2 LYS 94 HZ2 LYS 94 8.400 -14.296 -46.097 550 HZ3 LYS 94 HZ3 LYS 94 8.757 -12.651 -46.065 551 H CYS 95 H CYS 95 2.218 -12.037 -50.267 552 HA CYS 95 HA CYS 95 3.420 -9.515 -50.854 553 HB2 CYS 95 HB2 CYS 95 1.856 -11.367 -52.655 554 HB3 CYS 95 HB3 CYS 95 2.965 -10.096 -53.157 555 H ASP 96 H ASP 96 2.019 -8.268 -52.624 556 HA ASP 96 HA ASP 96 -0.579 -7.719 -51.362 557 HB2 ASP 96 HB2 ASP 96 -0.264 -5.359 -52.044 558 HB3 ASP 96 HB3 ASP 96 1.029 -5.908 -50.995 559 H ARG 97 H ARG 97 -1.221 -5.820 -53.444 560 HA ARG 97 HA ARG 97 -2.584 -7.496 -55.235 561 HB2 ARG 97 HB2 ARG 97 -3.213 -5.332 -56.343 562 HB3 ARG 97 HB3 ARG 97 -3.558 -5.439 -54.620 563 HG2 ARG 97 HG2 ARG 97 -1.372 -4.227 -54.246 564 HG3 ARG 97 HG3 ARG 97 -1.391 -3.889 -55.978 565 HD2 ARG 97 HD2 ARG 97 -3.714 -3.247 -54.187 566 HD3 ARG 97 HD3 ARG 97 -2.370 -2.139 -54.434 567 HE ARG 97 HE ARG 97 -3.323 -2.917 -56.942 568 HH11 ARG 97 HH11 ARG 97 -4.471 -1.098 -54.164 569 HH12 ARG 97 HH12 ARG 97 -5.426 -0.017 -55.115 570 HH21 ARG 97 HH21 ARG 97 -4.594 -1.478 -58.189 571 HH22 ARG 97 HH22 ARG 97 -5.500 -0.232 -57.397 572 H SER 98 H SER 98 0.620 -6.569 -55.268 573 HA SER 98 HA SER 98 0.972 -6.360 -58.122 574 HB2 SER 98 HB2 SER 98 2.368 -5.063 -56.527 575 HB3 SER 98 HB3 SER 98 3.042 -6.572 -55.918 576 HG SER 98 HG SER 98 3.607 -6.906 -58.260 577 H CYS 99 H CYS 99 -0.248 -8.630 -57.858 578 HA CYS 99 HA CYS 99 1.816 -10.658 -58.426 579 HB2 CYS 99 HB2 CYS 99 -0.162 -10.737 -56.316 580 HB3 CYS 99 HB3 CYS 99 -0.407 -12.065 -57.438 581 H SER 100 H SER 100 1.407 -11.892 -60.212 582 HA SER 100 HA SER 100 -0.615 -11.030 -62.014 583 HB2 SER 100 HB2 SER 100 1.188 -13.455 -62.169 584 HB3 SER 100 HB3 SER 100 0.248 -12.784 -63.502 585 HG SER 100 HG SER 100 1.454 -10.839 -63.241 586 H CYS 101 H CYS 101 -0.766 -13.061 -59.408 587 HA CYS 101 HA CYS 101 -2.845 -14.760 -60.509 588 HB2 CYS 101 HB2 CYS 101 -1.207 -14.760 -58.043 589 HB3 CYS 101 HB3 CYS 101 -2.774 -15.581 -58.014 590 H LYS 102 H LYS 102 -2.825 -11.726 -59.502 591 HA LYS 102 HA LYS 102 -5.207 -11.994 -57.881 592 HB2 LYS 102 HB2 LYS 102 -3.723 -9.447 -58.602 593 HB3 LYS 102 HB3 LYS 102 -5.014 -9.629 -57.417 594 HG2 LYS 102 HG2 LYS 102 -2.191 -10.664 -57.236 595 HG3 LYS 102 HG3 LYS 102 -2.984 -9.477 -56.197 596 HD2 LYS 102 HD2 LYS 102 -4.650 -11.419 -55.748 597 HD3 LYS 102 HD3 LYS 102 -3.333 -12.440 -56.311 598 HE2 LYS 102 HE2 LYS 102 -3.133 -10.442 -54.043 599 HE3 LYS 102 HE3 LYS 102 -3.419 -12.164 -53.829 600 HZ1 LYS 102 HZ1 LYS 102 -1.136 -11.809 -53.483 601 HZ2 LYS 102 HZ2 LYS 102 -0.974 -10.827 -54.837 602 HZ3 LYS 102 HZ3 LYS 102 -1.228 -12.493 -55.026 Start of MODEL 19 1 HA2 GLY 1 HA2 GLY 1 -1.098 -14.169 -12.323 2 HA3 GLY 1 HA3 GLY 1 -2.231 -15.510 -12.235 3 H SER 2 H SER 2 -4.593 -14.104 -12.766 4 HA SER 2 HA SER 2 -4.252 -13.681 -15.621 5 HB2 SER 2 HB2 SER 2 -6.791 -13.864 -13.984 6 HB3 SER 2 HB3 SER 2 -6.678 -13.887 -15.743 7 HG SER 2 HG SER 2 -5.286 -15.797 -15.416 8 H MET 3 H MET 3 -5.631 -12.019 -12.799 9 HA MET 3 HA MET 3 -6.155 -9.627 -14.288 10 HB2 MET 3 HB2 MET 3 -7.523 -10.211 -12.333 11 HB3 MET 3 HB3 MET 3 -6.108 -10.083 -11.298 12 HG2 MET 3 HG2 MET 3 -5.932 -7.708 -11.808 13 HG3 MET 3 HG3 MET 3 -7.326 -7.827 -12.878 14 HE1 MET 3 HE1 MET 3 -8.567 -5.858 -11.637 15 HE2 MET 3 HE2 MET 3 -7.164 -5.663 -10.588 16 HE3 MET 3 HE3 MET 3 -8.777 -5.782 -9.887 17 H SER 4 H SER 4 -4.338 -8.795 -15.164 18 HA SER 4 HA SER 4 -2.465 -7.552 -13.344 19 HB2 SER 4 HB2 SER 4 -1.525 -9.475 -15.492 20 HB3 SER 4 HB3 SER 4 -0.488 -8.502 -14.451 21 HG SER 4 HG SER 4 -2.145 -9.838 -12.883 22 H SER 5 H SER 5 -1.336 -5.833 -14.312 23 HA SER 5 HA SER 5 -2.627 -4.735 -16.649 24 HB2 SER 5 HB2 SER 5 -0.379 -3.640 -14.948 25 HB3 SER 5 HB3 SER 5 -1.267 -2.745 -16.178 26 HG SER 5 HG SER 5 -2.817 -2.427 -14.809 27 H VAL 6 H VAL 6 -1.998 -5.644 -18.499 28 HA VAL 6 HA VAL 6 0.692 -6.588 -18.873 29 HB VAL 6 HB VAL 6 -0.098 -7.243 -21.146 30 HG11 VAL 6 HG11 VAL 6 -0.268 -8.795 -19.276 31 HG12 VAL 6 HG12 VAL 6 -1.648 -8.983 -20.359 32 HG13 VAL 6 HG13 VAL 6 -1.834 -8.115 -18.837 33 HG21 VAL 6 HG21 VAL 6 -1.768 -5.451 -21.435 34 HG22 VAL 6 HG22 VAL 6 -2.763 -6.199 -20.185 35 HG23 VAL 6 HG23 VAL 6 -2.460 -7.051 -21.697 36 H PHE 7 H PHE 7 2.152 -5.896 -20.447 37 HA PHE 7 HA PHE 7 1.644 -3.458 -21.915 38 HB2 PHE 7 HB2 PHE 7 3.678 -2.326 -21.021 39 HB3 PHE 7 HB3 PHE 7 2.416 -2.517 -19.813 40 HD1 PHE 7 HD1 PHE 7 5.813 -3.310 -20.753 41 HD2 PHE 7 HD2 PHE 7 2.677 -4.243 -18.033 42 HE1 PHE 7 HE1 PHE 7 7.440 -4.376 -19.249 43 HE2 PHE 7 HE2 PHE 7 4.299 -5.312 -16.525 44 HZ PHE 7 HZ PHE 7 6.683 -5.379 -17.132 45 H GLY 8 H GLY 8 2.831 -3.344 -23.776 46 HA2 GLY 8 HA2 GLY 8 4.294 -4.022 -25.430 47 HA3 GLY 8 HA3 GLY 8 5.188 -4.915 -24.211 48 H ALA 9 H ALA 9 3.933 -6.866 -23.387 49 HA ALA 9 HA ALA 9 3.179 -8.508 -25.671 50 HB1 ALA 9 HB1 ALA 9 3.524 -9.256 -22.765 51 HB2 ALA 9 HB2 ALA 9 4.769 -9.379 -24.006 52 HB3 ALA 9 HB3 ALA 9 3.319 -10.377 -24.111 53 H GLY 10 H GLY 10 1.532 -6.353 -24.206 54 HA2 GLY 10 HA2 GLY 10 -0.772 -7.852 -23.314 55 HA3 GLY 10 HA3 GLY 10 -0.605 -6.100 -23.335 56 H CYS 11 H CYS 11 -0.787 -8.834 -25.530 57 HA CYS 11 HA CYS 11 -1.960 -7.178 -27.590 58 HB2 CYS 11 HB2 CYS 11 -0.310 -9.156 -27.899 59 HB3 CYS 11 HB3 CYS 11 -1.738 -10.170 -27.719 60 H THR 12 H THR 12 -3.807 -9.075 -28.717 61 HA THR 12 HA THR 12 -5.786 -9.477 -26.640 62 HB THR 12 HB THR 12 -6.184 -7.144 -27.307 63 HG1 THR 12 HG1 THR 12 -8.052 -8.188 -26.751 64 HG21 THR 12 HG21 THR 12 -5.310 -7.313 -29.618 65 HG22 THR 12 HG22 THR 12 -6.908 -6.574 -29.556 66 HG23 THR 12 HG23 THR 12 -6.731 -8.254 -30.064 67 H ASP 13 H ASP 13 -7.684 -10.627 -27.382 68 HA ASP 13 HA ASP 13 -6.972 -12.703 -29.246 69 HB2 ASP 13 HB2 ASP 13 -9.064 -13.754 -28.572 70 HB3 ASP 13 HB3 ASP 13 -8.199 -13.198 -27.145 71 H THR 14 H THR 14 -8.848 -9.789 -29.274 72 HA THR 14 HA THR 14 -10.523 -10.309 -31.480 73 HB THR 14 HB THR 14 -9.313 -7.641 -30.733 74 HG1 THR 14 HG1 THR 14 -11.399 -9.156 -29.567 75 HG21 THR 14 HG21 THR 14 -10.503 -7.478 -32.785 76 HG22 THR 14 HG22 THR 14 -11.583 -6.844 -31.543 77 HG23 THR 14 HG23 THR 14 -11.818 -8.482 -32.174 78 H CYS 15 H CYS 15 -7.198 -9.753 -31.199 79 HA CYS 15 HA CYS 15 -6.746 -8.732 -33.832 80 HB2 CYS 15 HB2 CYS 15 -5.407 -8.237 -31.758 81 HB3 CYS 15 HB3 CYS 15 -4.769 -9.868 -31.875 82 H LYS 16 H LYS 16 -7.460 -11.758 -32.622 83 HA LYS 16 HA LYS 16 -5.729 -13.251 -34.449 84 HB2 LYS 16 HB2 LYS 16 -7.801 -14.315 -32.530 85 HB3 LYS 16 HB3 LYS 16 -6.521 -15.223 -33.319 86 HG2 LYS 16 HG2 LYS 16 -6.155 -13.071 -31.253 87 HG3 LYS 16 HG3 LYS 16 -5.978 -14.813 -30.998 88 HD2 LYS 16 HD2 LYS 16 -4.128 -14.881 -32.535 89 HD3 LYS 16 HD3 LYS 16 -4.373 -13.177 -32.936 90 HE2 LYS 16 HE2 LYS 16 -3.881 -12.577 -30.604 91 HE3 LYS 16 HE3 LYS 16 -3.560 -14.274 -30.250 92 HZ1 LYS 16 HZ1 LYS 16 -1.529 -13.008 -30.677 93 HZ2 LYS 16 HZ2 LYS 16 -2.066 -12.641 -32.238 94 HZ3 LYS 16 HZ3 LYS 16 -1.740 -14.245 -31.807 95 H GLN 17 H GLN 17 -8.414 -11.582 -34.876 96 HA GLN 17 HA GLN 17 -10.045 -13.643 -36.102 97 HB2 GLN 17 HB2 GLN 17 -10.611 -10.685 -36.048 98 HB3 GLN 17 HB3 GLN 17 -11.753 -11.995 -36.298 99 HG2 GLN 17 HG2 GLN 17 -10.397 -11.157 -33.761 100 HG3 GLN 17 HG3 GLN 17 -12.119 -11.177 -34.115 101 HE21 GLN 17 HE21 GLN 17 -9.436 -12.949 -32.967 102 HE22 GLN 17 HE22 GLN 17 -10.279 -14.398 -32.584 103 H THR 18 H THR 18 -11.008 -13.168 -38.266 104 HA THR 18 HA THR 18 -9.240 -11.709 -40.078 105 HB THR 18 HB THR 18 -9.574 -13.773 -41.690 106 HG1 THR 18 HG1 THR 18 -10.165 -14.772 -39.144 107 HG21 THR 18 HG21 THR 18 -7.549 -13.788 -39.444 108 HG22 THR 18 HG22 THR 18 -7.401 -12.903 -40.962 109 HG23 THR 18 HG23 THR 18 -7.401 -14.666 -40.967 110 HA PRO 19 HA PRO 19 -9.329 -10.274 -41.433 111 HB2 PRO 19 HB2 PRO 19 -10.394 -7.800 -41.557 112 HB3 PRO 19 HB3 PRO 19 -10.355 -8.882 -42.957 113 HG2 PRO 19 HG2 PRO 19 -12.609 -8.331 -41.059 114 HG3 PRO 19 HG3 PRO 19 -12.640 -8.412 -42.831 115 HD2 PRO 19 HD2 PRO 19 -13.426 -10.478 -41.277 116 HD3 PRO 19 HD3 PRO 19 -12.642 -10.720 -42.850 117 H CYS 20 H CYS 20 -8.433 -8.449 -40.150 118 HA CYS 20 HA CYS 20 -8.470 -8.954 -37.449 119 HB2 CYS 20 HB2 CYS 20 -7.024 -7.358 -39.121 120 HB3 CYS 20 HB3 CYS 20 -7.905 -6.162 -38.177 121 H GLY 21 H GLY 21 -9.735 -8.356 -35.773 122 HA2 GLY 21 HA2 GLY 21 -12.171 -6.891 -36.415 123 HA3 GLY 21 HA3 GLY 21 -11.868 -7.820 -34.954 124 H CYS 22 H CYS 22 -9.290 -5.861 -35.707 125 HA CYS 22 HA CYS 22 -9.827 -4.178 -33.432 126 HB2 CYS 22 HB2 CYS 22 -7.487 -4.187 -35.317 127 HB3 CYS 22 HB3 CYS 22 -7.563 -3.404 -33.740 128 H GLY 23 H GLY 23 -11.350 -3.837 -36.020 129 HA2 GLY 23 HA2 GLY 23 -10.627 -1.667 -37.545 130 HA3 GLY 23 HA3 GLY 23 -12.289 -2.099 -37.185 131 H SER 24 H SER 24 -9.678 0.021 -36.539 132 HA SER 24 HA SER 24 -9.508 2.058 -35.579 133 HB2 SER 24 HB2 SER 24 -12.525 1.970 -35.475 134 HB3 SER 24 HB3 SER 24 -11.519 3.407 -35.294 135 HG SER 24 HG SER 24 -11.418 1.747 -37.581 136 H GLY 25 H GLY 25 -9.762 -0.479 -33.910 137 HA2 GLY 25 HA2 GLY 25 -9.390 0.737 -31.400 138 HA3 GLY 25 HA3 GLY 25 -11.031 0.117 -31.480 139 H CYS 26 H CYS 26 -7.887 -0.598 -30.674 140 HA CYS 26 HA CYS 26 -8.539 -3.451 -30.589 141 HB2 CYS 26 HB2 CYS 26 -5.744 -3.264 -30.690 142 HB3 CYS 26 HB3 CYS 26 -6.824 -3.911 -31.916 143 H ASN 27 H ASN 27 -7.674 -4.615 -28.843 144 HA ASN 27 HA ASN 27 -7.130 -2.977 -26.484 145 HB2 ASN 27 HB2 ASN 27 -7.814 -5.910 -26.790 146 HB3 ASN 27 HB3 ASN 27 -7.429 -5.159 -25.247 147 HD21 ASN 27 HD21 ASN 27 -9.871 -6.476 -26.149 148 HD22 ASN 27 HD22 ASN 27 -11.132 -5.310 -25.967 149 H CYS 28 H CYS 28 -5.295 -4.236 -28.835 150 HA CYS 28 HA CYS 28 -3.237 -5.338 -27.109 151 HB2 CYS 28 HB2 CYS 28 -2.013 -5.741 -29.278 152 HB3 CYS 28 HB3 CYS 28 -3.535 -6.601 -29.107 153 H LYS 29 H LYS 29 -1.126 -4.534 -27.046 154 HA LYS 29 HA LYS 29 -0.973 -1.687 -26.941 155 HB2 LYS 29 HB2 LYS 29 1.293 -3.675 -26.752 156 HB3 LYS 29 HB3 LYS 29 1.299 -2.014 -26.185 157 HG2 LYS 29 HG2 LYS 29 -0.302 -4.304 -25.065 158 HG3 LYS 29 HG3 LYS 29 1.069 -3.495 -24.312 159 HD2 LYS 29 HD2 LYS 29 -0.321 -1.374 -24.381 160 HD3 LYS 29 HD3 LYS 29 -1.690 -2.398 -24.820 161 HE2 LYS 29 HE2 LYS 29 -1.226 -3.732 -22.773 162 HE3 LYS 29 HE3 LYS 29 -0.029 -2.516 -22.336 163 HZ1 LYS 29 HZ1 LYS 29 -1.774 -0.853 -22.323 164 HZ2 LYS 29 HZ2 LYS 29 -2.128 -2.100 -21.241 165 HZ3 LYS 29 HZ3 LYS 29 -2.923 -2.023 -22.732 166 H GLU 30 H GLU 30 0.931 -0.526 -27.971 167 HA GLU 30 HA GLU 30 0.708 -0.818 -30.821 168 HB2 GLU 30 HB2 GLU 30 2.146 1.103 -31.001 169 HB3 GLU 30 HB3 GLU 30 0.987 1.388 -29.713 170 HG2 GLU 30 HG2 GLU 30 2.676 0.851 -28.055 171 HG3 GLU 30 HG3 GLU 30 3.839 0.515 -29.336 172 H ASP 31 H ASP 31 2.572 -2.361 -28.575 173 HA ASP 31 HA ASP 31 5.021 -2.694 -29.969 174 HB2 ASP 31 HB2 ASP 31 3.698 -4.229 -27.739 175 HB3 ASP 31 HB3 ASP 31 5.266 -4.691 -28.382 176 H CYS 32 H CYS 32 1.987 -3.715 -30.697 177 HA CYS 32 HA CYS 32 2.516 -6.342 -31.647 178 HB2 CYS 32 HB2 CYS 32 0.257 -5.483 -31.005 179 HB3 CYS 32 HB3 CYS 32 0.291 -4.459 -32.438 180 H ARG 33 H ARG 33 2.973 -7.011 -33.714 181 HA ARG 33 HA ARG 33 4.166 -4.970 -35.431 182 HB2 ARG 33 HB2 ARG 33 4.451 -7.962 -35.318 183 HB3 ARG 33 HB3 ARG 33 5.136 -6.994 -36.613 184 HG2 ARG 33 HG2 ARG 33 5.799 -6.750 -33.685 185 HG3 ARG 33 HG3 ARG 33 6.797 -7.527 -34.917 186 HD2 ARG 33 HD2 ARG 33 6.065 -4.613 -34.701 187 HD3 ARG 33 HD3 ARG 33 7.666 -5.338 -34.562 188 HE ARG 33 HE ARG 33 6.734 -6.018 -37.076 189 HH11 ARG 33 HH11 ARG 33 7.544 -3.074 -35.349 190 HH12 ARG 33 HH12 ARG 33 7.916 -2.185 -36.787 191 HH21 ARG 33 HH21 ARG 33 7.201 -4.832 -38.980 192 HH22 ARG 33 HH22 ARG 33 7.697 -3.173 -38.856 193 H CYS 34 H CYS 34 1.197 -6.082 -35.221 194 HA CYS 34 HA CYS 34 0.728 -7.159 -37.820 195 HB2 CYS 34 HB2 CYS 34 -0.700 -7.306 -35.603 196 HB3 CYS 34 HB3 CYS 34 -1.447 -5.860 -36.281 197 H GLN 35 H GLN 35 0.529 -6.100 -39.680 198 HA GLN 35 HA GLN 35 0.626 -3.233 -39.715 199 HB2 GLN 35 HB2 GLN 35 0.432 -5.287 -41.911 200 HB3 GLN 35 HB3 GLN 35 0.479 -3.557 -42.218 201 HG2 GLN 35 HG2 GLN 35 2.603 -5.175 -40.835 202 HG3 GLN 35 HG3 GLN 35 2.674 -4.534 -42.477 203 HE21 GLN 35 HE21 GLN 35 2.784 -3.759 -39.076 204 HE22 GLN 35 HE22 GLN 35 3.369 -2.147 -39.257 205 H SER 36 H SER 36 -1.857 -5.497 -39.569 206 HA SER 36 HA SER 36 -3.816 -4.164 -41.092 207 HB2 SER 36 HB2 SER 36 -3.831 -6.588 -40.293 208 HB3 SER 36 HB3 SER 36 -4.408 -5.958 -38.752 209 HG SER 36 HG SER 36 -6.055 -4.860 -40.186 210 H CYS 37 H CYS 37 -2.643 -3.733 -37.839 211 HA CYS 37 HA CYS 37 -4.539 -1.508 -37.573 212 HB2 CYS 37 HB2 CYS 37 -4.446 -2.016 -35.055 213 HB3 CYS 37 HB3 CYS 37 -5.431 -3.057 -36.077 214 H LYS 38 H LYS 38 -1.315 -2.474 -37.601 215 HA LYS 38 HA LYS 38 -0.492 0.020 -36.281 216 HB2 LYS 38 HB2 LYS 38 0.286 -2.296 -35.322 217 HB3 LYS 38 HB3 LYS 38 1.377 -2.302 -36.696 218 HG2 LYS 38 HG2 LYS 38 1.309 -0.230 -34.490 219 HG3 LYS 38 HG3 LYS 38 2.477 -1.531 -34.705 220 HD2 LYS 38 HD2 LYS 38 2.113 0.472 -36.888 221 HD3 LYS 38 HD3 LYS 38 3.074 0.896 -35.472 222 HE2 LYS 38 HE2 LYS 38 3.534 -1.568 -37.141 223 HE3 LYS 38 HE3 LYS 38 4.374 -0.040 -37.395 224 HZ1 LYS 38 HZ1 LYS 38 5.700 -1.503 -36.047 225 HZ2 LYS 38 HZ2 LYS 38 4.454 -1.680 -34.919 226 HZ3 LYS 38 HZ3 LYS 38 5.206 -0.185 -35.121 227 H TYR 39 H TYR 39 -1.036 0.853 -38.379 228 HA TYR 39 HA TYR 39 0.903 0.291 -40.474 229 HB2 TYR 39 HB2 TYR 39 -0.363 1.982 -41.808 230 HB3 TYR 39 HB3 TYR 39 -1.324 0.608 -41.322 231 HD1 TYR 39 HD1 TYR 39 -1.218 4.102 -41.560 232 HD2 TYR 39 HD2 TYR 39 -2.710 1.006 -39.053 233 HE1 TYR 39 HE1 TYR 39 -2.874 5.660 -40.627 234 HE2 TYR 39 HE2 TYR 39 -4.368 2.556 -38.115 235 HH TYR 39 HH TYR 39 -5.177 5.457 -39.512 236 H GLY 40 H GLY 40 2.359 1.758 -41.230 237 HA2 GLY 40 HA2 GLY 40 3.334 3.627 -39.257 238 HA3 GLY 40 HA3 GLY 40 4.063 3.296 -40.824 239 H ALA 41 H ALA 41 0.781 4.338 -40.100 240 HA ALA 41 HA ALA 41 -0.489 6.095 -40.722 241 HB1 ALA 41 HB1 ALA 41 1.074 7.371 -39.387 242 HB2 ALA 41 HB2 ALA 41 0.535 8.310 -40.781 243 HB3 ALA 41 HB3 ALA 41 2.133 7.564 -40.781 244 H GLY 42 H GLY 42 1.427 4.570 -42.809 245 HA2 GLY 42 HA2 GLY 42 0.974 6.388 -45.054 246 HA3 GLY 42 HA3 GLY 42 2.046 5.001 -45.055 247 H CYS 43 H CYS 43 -0.544 3.670 -43.668 248 HA CYS 43 HA CYS 43 -1.579 2.898 -46.288 249 HB2 CYS 43 HB2 CYS 43 -0.556 1.227 -44.560 250 HB3 CYS 43 HB3 CYS 43 -2.129 1.359 -43.781 251 H THR 44 H THR 44 -3.842 2.623 -46.579 252 HA THR 44 HA THR 44 -5.318 4.822 -45.676 253 HB THR 44 HB THR 44 -7.255 3.527 -46.799 254 HG1 THR 44 HG1 THR 44 -6.725 1.643 -47.778 255 HG21 THR 44 HG21 THR 44 -6.351 4.024 -49.033 256 HG22 THR 44 HG22 THR 44 -4.736 4.174 -48.341 257 HG23 THR 44 HG23 THR 44 -5.996 5.324 -47.895 258 H ASP 45 H ASP 45 -7.046 5.040 -44.317 259 HA ASP 45 HA ASP 45 -7.141 3.269 -42.052 260 HB2 ASP 45 HB2 ASP 45 -8.817 5.705 -42.684 261 HB3 ASP 45 HB3 ASP 45 -8.775 4.866 -41.139 262 H VAL 46 H VAL 46 -9.032 3.830 -44.910 263 HA VAL 46 HA VAL 46 -11.399 2.465 -44.142 264 HB VAL 46 HB VAL 46 -10.171 2.747 -46.912 265 HG11 VAL 46 HG11 VAL 46 -12.440 2.383 -47.761 266 HG12 VAL 46 HG12 VAL 46 -13.007 2.099 -46.116 267 HG13 VAL 46 HG13 VAL 46 -11.855 0.987 -46.856 268 HG21 VAL 46 HG21 VAL 46 -12.232 4.441 -45.513 269 HG22 VAL 46 HG22 VAL 46 -11.688 4.648 -47.178 270 HG23 VAL 46 HG23 VAL 46 -10.563 4.901 -45.843 271 H CYS 47 H CYS 47 -8.275 1.483 -45.030 272 HA CYS 47 HA CYS 47 -8.862 -1.254 -45.658 273 HB2 CYS 47 HB2 CYS 47 -6.992 0.030 -46.647 274 HB3 CYS 47 HB3 CYS 47 -6.260 0.174 -45.061 275 H LYS 48 H LYS 48 -8.681 0.556 -42.849 276 HA LYS 48 HA LYS 48 -7.742 -1.658 -41.171 277 HB2 LYS 48 HB2 LYS 48 -8.324 1.188 -40.335 278 HB3 LYS 48 HB3 LYS 48 -7.403 -0.020 -39.449 279 HG2 LYS 48 HG2 LYS 48 -6.540 1.073 -42.118 280 HG3 LYS 48 HG3 LYS 48 -6.057 1.782 -40.578 281 HD2 LYS 48 HD2 LYS 48 -4.791 -0.082 -39.984 282 HD3 LYS 48 HD3 LYS 48 -5.628 -1.132 -41.129 283 HE2 LYS 48 HE2 LYS 48 -3.877 1.170 -41.968 284 HE3 LYS 48 HE3 LYS 48 -3.267 -0.465 -41.769 285 HZ1 LYS 48 HZ1 LYS 48 -5.029 -1.145 -43.410 286 HZ2 LYS 48 HZ2 LYS 48 -3.770 -0.226 -44.035 287 HZ3 LYS 48 HZ3 LYS 48 -5.267 0.505 -43.726 288 H GLN 49 H GLN 49 -10.498 -1.124 -42.516 289 HA GLN 49 HA GLN 49 -12.311 -0.847 -40.285 290 HB2 GLN 49 HB2 GLN 49 -12.726 -1.448 -43.207 291 HB3 GLN 49 HB3 GLN 49 -14.044 -1.438 -42.051 292 HG2 GLN 49 HG2 GLN 49 -13.497 0.920 -41.537 293 HG3 GLN 49 HG3 GLN 49 -12.278 0.870 -42.804 294 HE21 GLN 49 HE21 GLN 49 -13.405 2.531 -43.887 295 HE22 GLN 49 HE22 GLN 49 -14.832 2.196 -44.804 296 H THR 50 H THR 50 -14.121 -2.476 -40.055 297 HA THR 50 HA THR 50 -13.255 -5.240 -40.489 298 HB THR 50 HB THR 50 -14.368 -4.210 -37.865 299 HG1 THR 50 HG1 THR 50 -11.764 -5.275 -38.332 300 HG21 THR 50 HG21 THR 50 -13.989 -6.455 -37.035 301 HG22 THR 50 HG22 THR 50 -13.304 -6.947 -38.583 302 HG23 THR 50 HG23 THR 50 -15.015 -6.536 -38.468 303 HA PRO 51 HA PRO 51 -13.792 -6.420 -41.907 304 HB2 PRO 51 HB2 PRO 51 -14.924 -6.816 -44.318 305 HB3 PRO 51 HB3 PRO 51 -15.282 -7.859 -42.937 306 HG2 PRO 51 HG2 PRO 51 -16.872 -5.577 -44.046 307 HG3 PRO 51 HG3 PRO 51 -17.433 -7.173 -43.523 308 HD2 PRO 51 HD2 PRO 51 -17.638 -4.952 -41.968 309 HD3 PRO 51 HD3 PRO 51 -17.427 -6.581 -41.296 310 H CYS 52 H CYS 52 -12.465 -5.852 -43.815 311 HA CYS 52 HA CYS 52 -11.849 -3.148 -43.992 312 HB2 CYS 52 HB2 CYS 52 -10.250 -4.879 -44.614 313 HB3 CYS 52 HB3 CYS 52 -11.278 -5.353 -45.961 314 H GLY 53 H GLY 53 -12.278 -1.528 -45.463 315 HA2 GLY 53 HA2 GLY 53 -14.620 -2.084 -47.136 316 HA3 GLY 53 HA3 GLY 53 -14.277 -0.523 -46.405 317 H CYS 54 H CYS 54 -11.423 -1.878 -47.618 318 HA CYS 54 HA CYS 54 -11.210 0.093 -49.629 319 HB2 CYS 54 HB2 CYS 54 -9.596 -2.366 -49.011 320 HB3 CYS 54 HB3 CYS 54 -9.211 -1.318 -50.371 321 H ALA 55 H ALA 55 -12.245 -3.225 -49.659 322 HA ALA 55 HA ALA 55 -12.361 -3.382 -52.539 323 HB1 ALA 55 HB1 ALA 55 -13.303 -5.593 -52.166 324 HB2 ALA 55 HB2 ALA 55 -13.463 -5.242 -50.444 325 HB3 ALA 55 HB3 ALA 55 -11.861 -5.360 -51.175 326 H THR 56 H THR 56 -14.044 -1.581 -50.590 327 HA THR 56 HA THR 56 -16.598 -2.021 -51.979 328 HB THR 56 HB THR 56 -16.264 -1.087 -49.120 329 HG1 THR 56 HG1 THR 56 -16.937 -3.610 -50.261 330 HG21 THR 56 HG21 THR 56 -18.241 -0.151 -50.182 331 HG22 THR 56 HG22 THR 56 -18.715 -1.388 -49.016 332 HG23 THR 56 HG23 THR 56 -18.729 -1.750 -50.743 333 H SER 57 H SER 57 -14.632 0.392 -50.215 334 HA SER 57 HA SER 57 -16.038 2.522 -51.673 335 HB2 SER 57 HB2 SER 57 -14.271 2.765 -49.239 336 HB3 SER 57 HB3 SER 57 -15.330 4.002 -49.914 337 HG SER 57 HG SER 57 -17.067 2.422 -49.488 338 H GLY 58 H GLY 58 -13.365 0.734 -52.113 339 HA2 GLY 58 HA2 GLY 58 -11.635 1.145 -53.626 340 HA3 GLY 58 HA3 GLY 58 -12.006 2.864 -53.552 341 H CYS 59 H CYS 59 -9.401 2.223 -53.475 342 HA CYS 59 HA CYS 59 -8.644 3.058 -50.814 343 HB2 CYS 59 HB2 CYS 59 -6.972 1.218 -50.597 344 HB3 CYS 59 HB3 CYS 59 -8.649 0.703 -50.460 345 H ASN 60 H ASN 60 -6.018 2.888 -50.826 346 HA ASN 60 HA ASN 60 -5.137 4.087 -53.365 347 HB2 ASN 60 HB2 ASN 60 -4.521 4.915 -50.535 348 HB3 ASN 60 HB3 ASN 60 -3.447 5.339 -51.860 349 HD21 ASN 60 HD21 ASN 60 -3.804 7.520 -51.625 350 HD22 ASN 60 HD22 ASN 60 -5.290 8.283 -52.059 351 H CYS 61 H CYS 61 -4.780 1.481 -51.337 352 HA CYS 61 HA CYS 61 -1.949 1.162 -51.935 353 HB2 CYS 61 HB2 CYS 61 -2.174 -0.876 -50.423 354 HB3 CYS 61 HB3 CYS 61 -2.353 0.697 -49.658 355 H THR 62 H THR 62 -1.562 -1.471 -52.206 356 HA THR 62 HA THR 62 -3.253 -2.226 -54.495 357 HB THR 62 HB THR 62 -1.168 -3.074 -55.605 358 HG1 THR 62 HG1 THR 62 0.321 -1.381 -53.940 359 HG21 THR 62 HG21 THR 62 -1.203 -0.104 -55.035 360 HG22 THR 62 HG22 THR 62 -2.175 -0.920 -56.257 361 HG23 THR 62 HG23 THR 62 -0.418 -0.886 -56.408 362 H ASP 63 H ASP 63 -2.238 -4.552 -55.224 363 HA ASP 63 HA ASP 63 -2.946 -6.392 -53.179 364 HB2 ASP 63 HB2 ASP 63 -1.676 -6.765 -55.899 365 HB3 ASP 63 HB3 ASP 63 -2.135 -8.113 -54.863 366 H ASP 64 H ASP 64 -0.260 -4.604 -53.471 367 HA ASP 64 HA ASP 64 1.799 -6.472 -52.696 368 HB2 ASP 64 HB2 ASP 64 2.334 -4.405 -53.929 369 HB3 ASP 64 HB3 ASP 64 1.684 -3.440 -52.615 370 H CYS 65 H CYS 65 -0.770 -4.903 -51.209 371 HA CYS 65 HA CYS 65 0.317 -4.442 -48.626 372 HB2 CYS 65 HB2 CYS 65 -1.701 -3.298 -49.573 373 HB3 CYS 65 HB3 CYS 65 -2.573 -4.819 -49.432 374 H LYS 66 H LYS 66 -0.441 -5.588 -46.685 375 HA LYS 66 HA LYS 66 -0.262 -8.460 -47.074 376 HB2 LYS 66 HB2 LYS 66 -0.228 -6.705 -44.649 377 HB3 LYS 66 HB3 LYS 66 -0.343 -8.452 -44.539 378 HG2 LYS 66 HG2 LYS 66 1.772 -8.541 -45.904 379 HG3 LYS 66 HG3 LYS 66 1.905 -6.802 -45.615 380 HD2 LYS 66 HD2 LYS 66 3.186 -8.034 -43.965 381 HD3 LYS 66 HD3 LYS 66 1.824 -7.209 -43.202 382 HE2 LYS 66 HE2 LYS 66 0.562 -9.275 -43.124 383 HE3 LYS 66 HE3 LYS 66 1.818 -10.115 -44.026 384 HZ1 LYS 66 HZ1 LYS 66 1.964 -10.609 -41.689 385 HZ2 LYS 66 HZ2 LYS 66 2.077 -8.969 -41.303 386 HZ3 LYS 66 HZ3 LYS 66 3.321 -9.722 -42.158 387 H CYS 67 H CYS 67 -2.710 -6.421 -47.265 388 HA CYS 67 HA CYS 67 -4.535 -7.835 -45.549 389 HB2 CYS 67 HB2 CYS 67 -4.678 -5.377 -45.891 390 HB3 CYS 67 HB3 CYS 67 -5.126 -5.682 -47.569 391 H GLN 68 H GLN 68 -6.080 -9.225 -46.155 392 HA GLN 68 HA GLN 68 -5.773 -10.357 -48.828 393 HB2 GLN 68 HB2 GLN 68 -7.255 -11.475 -46.436 394 HB3 GLN 68 HB3 GLN 68 -6.932 -12.318 -47.938 395 HG2 GLN 68 HG2 GLN 68 -5.374 -13.196 -46.437 396 HG3 GLN 68 HG3 GLN 68 -4.458 -12.016 -47.371 397 HE21 GLN 68 HE21 GLN 68 -2.943 -11.986 -45.670 398 HE22 GLN 68 HE22 GLN 68 -3.225 -11.055 -44.243 399 H SER 69 H SER 69 -7.605 -8.059 -47.497 400 HA SER 69 HA SER 69 -10.209 -8.949 -48.337 401 HB2 SER 69 HB2 SER 69 -9.396 -6.183 -47.468 402 HB3 SER 69 HB3 SER 69 -11.014 -6.889 -47.453 403 HG SER 69 HG SER 69 -8.983 -7.110 -45.641 404 H CYS 70 H CYS 70 -8.021 -6.301 -49.376 405 HA CYS 70 HA CYS 70 -9.716 -5.981 -51.732 406 HB2 CYS 70 HB2 CYS 70 -8.280 -3.880 -52.068 407 HB3 CYS 70 HB3 CYS 70 -9.421 -3.897 -50.727 408 H SER 71 H SER 71 -7.249 -7.876 -51.041 409 HA SER 71 HA SER 71 -5.779 -7.458 -53.518 410 HB2 SER 71 HB2 SER 71 -5.339 -9.486 -51.310 411 HB3 SER 71 HB3 SER 71 -4.274 -9.216 -52.692 412 HG SER 71 HG SER 71 -4.246 -7.971 -50.370 413 H THR 72 H THR 72 -5.531 -9.143 -55.056 414 HA THR 72 HA THR 72 -8.014 -10.507 -55.545 415 HB THR 72 HB THR 72 -6.768 -11.270 -57.658 416 HG1 THR 72 HG1 THR 72 -4.939 -9.301 -56.648 417 HG21 THR 72 HG21 THR 72 -7.061 -9.063 -58.705 418 HG22 THR 72 HG22 THR 72 -7.165 -8.328 -57.105 419 HG23 THR 72 HG23 THR 72 -8.408 -9.459 -57.638 420 H ALA 73 H ALA 73 -8.229 -12.712 -56.096 421 HA ALA 73 HA ALA 73 -6.857 -14.470 -54.288 422 HB1 ALA 73 HB1 ALA 73 -8.448 -16.158 -55.279 423 HB2 ALA 73 HB2 ALA 73 -9.085 -14.855 -56.275 424 HB3 ALA 73 HB3 ALA 73 -9.204 -14.760 -54.521 425 H CYS 74 H CYS 74 -6.129 -16.654 -55.113 426 HA CYS 74 HA CYS 74 -4.446 -16.269 -57.479 427 HB2 CYS 74 HB2 CYS 74 -3.737 -17.152 -55.012 428 HB3 CYS 74 HB3 CYS 74 -4.104 -18.683 -55.783 429 H LYS 75 H LYS 75 -4.097 -18.421 -58.751 430 HA LYS 75 HA LYS 75 -6.789 -19.517 -59.256 431 HB2 LYS 75 HB2 LYS 75 -4.440 -19.372 -61.149 432 HB3 LYS 75 HB3 LYS 75 -6.040 -19.980 -61.535 433 HG2 LYS 75 HG2 LYS 75 -5.353 -17.145 -60.790 434 HG3 LYS 75 HG3 LYS 75 -5.710 -17.742 -62.411 435 HD2 LYS 75 HD2 LYS 75 -7.976 -18.353 -61.669 436 HD3 LYS 75 HD3 LYS 75 -7.609 -17.720 -60.062 437 HE2 LYS 75 HE2 LYS 75 -7.603 -16.135 -62.629 438 HE3 LYS 75 HE3 LYS 75 -8.866 -16.100 -61.400 439 HZ1 LYS 75 HZ1 LYS 75 -7.245 -14.234 -61.283 440 HZ2 LYS 75 HZ2 LYS 75 -6.040 -15.340 -60.869 441 HZ3 LYS 75 HZ3 LYS 75 -7.376 -15.121 -59.854 442 H CYS 76 H CYS 76 -4.127 -20.398 -57.669 443 HA CYS 76 HA CYS 76 -3.721 -23.025 -58.735 444 HB2 CYS 76 HB2 CYS 76 -2.784 -21.719 -56.190 445 HB3 CYS 76 HB3 CYS 76 -2.332 -23.346 -56.687 446 H ALA 77 H ALA 77 -3.836 -24.928 -57.290 447 HA ALA 77 HA ALA 77 -6.274 -24.895 -55.653 448 HB1 ALA 77 HB1 ALA 77 -6.627 -26.082 -57.786 449 HB2 ALA 77 HB2 ALA 77 -6.733 -27.167 -56.402 450 HB3 ALA 77 HB3 ALA 77 -5.280 -27.152 -57.399 451 H ALA 78 H ALA 78 -6.261 -26.847 -54.136 452 HA ALA 78 HA ALA 78 -4.264 -26.534 -52.265 453 HB1 ALA 78 HB1 ALA 78 -5.134 -28.511 -51.167 454 HB2 ALA 78 HB2 ALA 78 -5.970 -28.986 -52.644 455 HB3 ALA 78 HB3 ALA 78 -6.451 -27.519 -51.791 456 H GLY 79 H GLY 79 -4.376 -28.874 -54.893 457 HA2 GLY 79 HA2 GLY 79 -1.634 -29.675 -54.142 458 HA3 GLY 79 HA3 GLY 79 -2.805 -30.809 -54.800 459 H SER 80 H SER 80 -2.400 -27.508 -55.938 460 HA SER 80 HA SER 80 -0.813 -28.366 -58.201 461 HB2 SER 80 HB2 SER 80 -3.625 -27.314 -58.597 462 HB3 SER 80 HB3 SER 80 -2.449 -27.560 -59.884 463 HG SER 80 HG SER 80 -2.689 -29.783 -58.362 464 H CYS 81 H CYS 81 0.741 -26.896 -58.087 465 HA CYS 81 HA CYS 81 0.025 -24.050 -57.789 466 HB2 CYS 81 HB2 CYS 81 1.342 -24.719 -55.905 467 HB3 CYS 81 HB3 CYS 81 2.479 -25.592 -56.918 468 H LYS 82 H LYS 82 0.720 -22.628 -59.340 469 HA LYS 82 HA LYS 82 2.420 -23.749 -61.453 470 HB2 LYS 82 HB2 LYS 82 1.227 -21.974 -62.950 471 HB3 LYS 82 HB3 LYS 82 0.518 -23.549 -62.668 472 HG2 LYS 82 HG2 LYS 82 -0.218 -21.234 -60.936 473 HG3 LYS 82 HG3 LYS 82 -0.932 -21.425 -62.537 474 HD2 LYS 82 HD2 LYS 82 -0.983 -23.520 -60.365 475 HD3 LYS 82 HD3 LYS 82 -2.312 -22.419 -60.728 476 HE2 LYS 82 HE2 LYS 82 -2.482 -23.348 -62.974 477 HE3 LYS 82 HE3 LYS 82 -1.124 -24.416 -62.654 478 HZ1 LYS 82 HZ1 LYS 82 -3.243 -25.535 -62.419 479 HZ2 LYS 82 HZ2 LYS 82 -3.705 -24.468 -61.196 480 HZ3 LYS 82 HZ3 LYS 82 -2.394 -25.513 -60.962 481 H CYS 83 H CYS 83 1.567 -20.714 -59.782 482 HA CYS 83 HA CYS 83 3.557 -19.164 -61.023 483 HB2 CYS 83 HB2 CYS 83 3.290 -17.631 -59.101 484 HB3 CYS 83 HB3 CYS 83 1.739 -18.131 -59.768 485 H GLY 84 H GLY 84 3.635 -21.370 -58.314 486 HA2 GLY 84 HA2 GLY 84 5.538 -22.556 -57.629 487 HA3 GLY 84 HA3 GLY 84 6.542 -21.381 -58.466 488 H LYS 85 H LYS 85 4.147 -19.962 -56.541 489 HA LYS 85 HA LYS 85 6.205 -19.048 -54.712 490 HB2 LYS 85 HB2 LYS 85 3.305 -18.227 -54.866 491 HB3 LYS 85 HB3 LYS 85 4.583 -17.402 -53.988 492 HG2 LYS 85 HG2 LYS 85 4.387 -17.692 -56.981 493 HG3 LYS 85 HG3 LYS 85 4.045 -16.236 -56.048 494 HD2 LYS 85 HD2 LYS 85 6.730 -17.615 -56.077 495 HD3 LYS 85 HD3 LYS 85 6.300 -16.291 -57.157 496 HE2 LYS 85 HE2 LYS 85 5.852 -14.875 -55.178 497 HE3 LYS 85 HE3 LYS 85 6.390 -16.198 -54.143 498 HZ1 LYS 85 HZ1 LYS 85 8.560 -16.090 -55.193 499 HZ2 LYS 85 HZ2 LYS 85 8.155 -14.591 -54.524 500 HZ3 LYS 85 HZ3 LYS 85 8.045 -14.828 -56.191 501 H GLY 86 H GLY 86 3.918 -21.485 -54.819 502 HA2 GLY 86 HA2 GLY 86 3.476 -23.121 -53.263 503 HA3 GLY 86 HA3 GLY 86 4.522 -22.277 -52.132 504 H CYS 87 H CYS 87 1.553 -21.290 -53.782 505 HA CYS 87 HA CYS 87 0.426 -20.488 -51.203 506 HB2 CYS 87 HB2 CYS 87 -1.344 -19.536 -52.859 507 HB3 CYS 87 HB3 CYS 87 0.212 -18.727 -52.693 508 H THR 88 H THR 88 -0.266 -22.439 -54.045 509 HA THR 88 HA THR 88 -1.773 -24.026 -54.537 510 HB THR 88 HB THR 88 -2.257 -25.719 -52.699 511 HG1 THR 88 HG1 THR 88 -1.428 -23.778 -51.132 512 HG21 THR 88 HG21 THR 88 0.618 -25.012 -53.297 513 HG22 THR 88 HG22 THR 88 -0.442 -26.014 -54.291 514 HG23 THR 88 HG23 THR 88 0.054 -26.570 -52.693 515 H GLY 89 H GLY 89 -3.003 -21.653 -54.213 516 HA2 GLY 89 HA2 GLY 89 -5.492 -21.730 -54.531 517 HA3 GLY 89 HA3 GLY 89 -5.543 -22.408 -52.912 518 HA PRO 90 HA PRO 90 -5.594 -17.596 -53.041 519 HB2 PRO 90 HB2 PRO 90 -8.237 -17.237 -52.492 520 HB3 PRO 90 HB3 PRO 90 -7.579 -17.299 -54.132 521 HG2 PRO 90 HG2 PRO 90 -8.850 -19.486 -52.530 522 HG3 PRO 90 HG3 PRO 90 -9.189 -19.008 -54.209 523 HD2 PRO 90 HD2 PRO 90 -7.625 -21.096 -53.684 524 HD3 PRO 90 HD3 PRO 90 -7.205 -19.967 -54.994 525 H ASP 91 H ASP 91 -7.051 -20.081 -51.050 526 HA ASP 91 HA ASP 91 -7.493 -18.549 -48.728 527 HB2 ASP 91 HB2 ASP 91 -8.558 -20.681 -48.929 528 HB3 ASP 91 HB3 ASP 91 -7.014 -21.504 -49.103 529 H SER 92 H SER 92 -4.777 -20.647 -49.631 530 HA SER 92 HA SER 92 -3.284 -19.573 -47.373 531 HB2 SER 92 HB2 SER 92 -2.646 -21.880 -49.215 532 HB3 SER 92 HB3 SER 92 -1.712 -21.407 -47.793 533 HG SER 92 HG SER 92 -4.412 -21.746 -47.342 534 H CYS 93 H CYS 93 -3.844 -18.436 -50.261 535 HA CYS 93 HA CYS 93 -1.228 -17.982 -51.279 536 HB2 CYS 93 HB2 CYS 93 -3.278 -17.865 -52.687 537 HB3 CYS 93 HB3 CYS 93 -3.770 -16.423 -51.807 538 H LYS 94 H LYS 94 -0.043 -17.251 -49.534 539 HA LYS 94 HA LYS 94 -0.798 -14.670 -48.383 540 HB2 LYS 94 HB2 LYS 94 1.416 -16.564 -47.551 541 HB3 LYS 94 HB3 LYS 94 0.903 -15.123 -46.685 542 HG2 LYS 94 HG2 LYS 94 -1.346 -16.190 -46.394 543 HG3 LYS 94 HG3 LYS 94 -0.676 -17.659 -47.095 544 HD2 LYS 94 HD2 LYS 94 -0.632 -17.854 -44.694 545 HD3 LYS 94 HD3 LYS 94 1.024 -17.686 -45.277 546 HE2 LYS 94 HE2 LYS 94 0.636 -16.329 -43.280 547 HE3 LYS 94 HE3 LYS 94 1.012 -15.322 -44.674 548 HZ1 LYS 94 HZ1 LYS 94 -1.735 -15.844 -43.659 549 HZ2 LYS 94 HZ2 LYS 94 -1.314 -14.782 -44.904 550 HZ3 LYS 94 HZ3 LYS 94 -0.836 -14.459 -43.323 551 H CYS 95 H CYS 95 0.283 -15.218 -51.097 552 HA CYS 95 HA CYS 95 2.899 -13.991 -51.096 553 HB2 CYS 95 HB2 CYS 95 1.119 -14.757 -53.414 554 HB3 CYS 95 HB3 CYS 95 2.828 -14.342 -53.496 555 H ASP 96 H ASP 96 3.237 -12.197 -52.681 556 HA ASP 96 HA ASP 96 1.343 -10.071 -52.102 557 HB2 ASP 96 HB2 ASP 96 4.009 -9.929 -53.539 558 HB3 ASP 96 HB3 ASP 96 3.069 -8.570 -52.946 559 H ARG 97 H ARG 97 1.922 -8.473 -54.306 560 HA ARG 97 HA ARG 97 0.050 -9.471 -56.219 561 HB2 ARG 97 HB2 ARG 97 0.449 -7.305 -57.335 562 HB3 ARG 97 HB3 ARG 97 0.080 -7.150 -55.624 563 HG2 ARG 97 HG2 ARG 97 2.490 -6.878 -55.158 564 HG3 ARG 97 HG3 ARG 97 2.786 -6.888 -56.900 565 HD2 ARG 97 HD2 ARG 97 1.307 -4.978 -57.161 566 HD3 ARG 97 HD3 ARG 97 1.012 -4.952 -55.424 567 HE ARG 97 HE ARG 97 3.722 -4.737 -55.669 568 HH11 ARG 97 HH11 ARG 97 0.988 -2.989 -56.994 569 HH12 ARG 97 HH12 ARG 97 1.795 -1.462 -57.017 570 HH21 ARG 97 HH21 ARG 97 4.812 -2.689 -55.697 571 HH22 ARG 97 HH22 ARG 97 3.977 -1.290 -56.269 572 H SER 98 H SER 98 3.121 -10.359 -55.817 573 HA SER 98 HA SER 98 4.265 -10.039 -58.397 574 HB2 SER 98 HB2 SER 98 4.941 -12.042 -56.231 575 HB3 SER 98 HB3 SER 98 5.959 -11.608 -57.605 576 HG SER 98 HG SER 98 6.704 -10.111 -56.350 577 H CYS 99 H CYS 99 1.950 -12.203 -57.098 578 HA CYS 99 HA CYS 99 2.368 -14.473 -58.691 579 HB2 CYS 99 HB2 CYS 99 0.280 -13.443 -56.955 580 HB3 CYS 99 HB3 CYS 99 -0.351 -14.386 -58.302 581 H SER 100 H SER 100 2.100 -14.806 -60.766 582 HA SER 100 HA SER 100 0.854 -12.851 -62.449 583 HB2 SER 100 HB2 SER 100 1.808 -15.643 -63.141 584 HB3 SER 100 HB3 SER 100 1.477 -14.334 -64.276 585 HG SER 100 HG SER 100 3.150 -13.142 -63.082 586 H CYS 101 H CYS 101 -0.200 -15.442 -60.586 587 HA CYS 101 HA CYS 101 -2.426 -16.233 -62.228 588 HB2 CYS 101 HB2 CYS 101 -1.680 -16.929 -59.382 589 HB3 CYS 101 HB3 CYS 101 -3.027 -17.642 -60.264 590 H LYS 102 H LYS 102 -1.959 -13.452 -60.680 591 HA LYS 102 HA LYS 102 -4.466 -13.222 -59.276 592 HB2 LYS 102 HB2 LYS 102 -2.455 -11.115 -60.079 593 HB3 LYS 102 HB3 LYS 102 -3.853 -10.831 -59.055 594 HG2 LYS 102 HG2 LYS 102 -1.479 -12.573 -58.441 595 HG3 LYS 102 HG3 LYS 102 -1.904 -11.039 -57.680 596 HD2 LYS 102 HD2 LYS 102 -3.996 -12.080 -56.860 597 HD3 LYS 102 HD3 LYS 102 -3.448 -13.618 -57.543 598 HE2 LYS 102 HE2 LYS 102 -1.500 -13.583 -56.084 599 HE3 LYS 102 HE3 LYS 102 -1.994 -12.020 -55.435 600 HZ1 LYS 102 HZ1 LYS 102 -2.611 -13.785 -53.946 601 HZ2 LYS 102 HZ2 LYS 102 -3.451 -14.581 -55.169 602 HZ3 LYS 102 HZ3 LYS 102 -4.017 -13.087 -54.596 Start of MODEL 20 1 HA2 GLY 1 HA2 GLY 1 3.543 4.617 -9.276 2 HA3 GLY 1 HA3 GLY 1 2.162 4.118 -10.244 3 H SER 2 H SER 2 4.973 2.514 -11.146 4 HA SER 2 HA SER 2 4.694 0.364 -9.225 5 HB2 SER 2 HB2 SER 2 3.009 -0.155 -10.967 6 HB3 SER 2 HB3 SER 2 4.275 -0.096 -12.191 7 HG SER 2 HG SER 2 3.542 -2.177 -10.834 8 H MET 3 H MET 3 6.563 -0.751 -8.965 9 HA MET 3 HA MET 3 8.892 0.239 -10.418 10 HB2 MET 3 HB2 MET 3 10.216 -0.869 -8.728 11 HB3 MET 3 HB3 MET 3 8.942 0.045 -7.936 12 HG2 MET 3 HG2 MET 3 7.657 -1.983 -7.606 13 HG3 MET 3 HG3 MET 3 8.880 -2.918 -8.462 14 HE1 MET 3 HE1 MET 3 7.765 -3.637 -5.562 15 HE2 MET 3 HE2 MET 3 9.257 -4.080 -4.734 16 HE3 MET 3 HE3 MET 3 8.984 -4.601 -6.397 17 H SER 4 H SER 4 6.677 -2.145 -10.808 18 HA SER 4 HA SER 4 8.590 -4.098 -11.844 19 HB2 SER 4 HB2 SER 4 5.634 -4.400 -11.273 20 HB3 SER 4 HB3 SER 4 6.734 -5.688 -11.765 21 HG SER 4 HG SER 4 7.515 -5.794 -9.812 22 H SER 5 H SER 5 8.274 -4.995 -13.926 23 HA SER 5 HA SER 5 7.357 -3.140 -15.881 24 HB2 SER 5 HB2 SER 5 8.135 -6.044 -16.228 25 HB3 SER 5 HB3 SER 5 8.062 -4.818 -17.493 26 HG SER 5 HG SER 5 9.623 -3.754 -15.763 27 H VAL 6 H VAL 6 5.226 -2.797 -16.012 28 HA VAL 6 HA VAL 6 3.370 -4.905 -15.426 29 HB VAL 6 HB VAL 6 2.813 -2.741 -14.579 30 HG11 VAL 6 HG11 VAL 6 3.973 -1.313 -16.132 31 HG12 VAL 6 HG12 VAL 6 2.282 -0.828 -16.037 32 HG13 VAL 6 HG13 VAL 6 2.857 -1.754 -17.424 33 HG21 VAL 6 HG21 VAL 6 0.924 -4.105 -15.177 34 HG22 VAL 6 HG22 VAL 6 0.971 -3.507 -16.835 35 HG23 VAL 6 HG23 VAL 6 0.550 -2.415 -15.515 36 H PHE 7 H PHE 7 3.244 -6.424 -16.892 37 HA PHE 7 HA PHE 7 2.845 -5.685 -19.694 38 HB2 PHE 7 HB2 PHE 7 3.545 -8.336 -18.425 39 HB3 PHE 7 HB3 PHE 7 3.216 -8.122 -20.140 40 HD1 PHE 7 HD1 PHE 7 5.708 -8.178 -17.661 41 HD2 PHE 7 HD2 PHE 7 4.670 -6.328 -21.348 42 HE1 PHE 7 HE1 PHE 7 8.069 -7.610 -18.037 43 HE2 PHE 7 HE2 PHE 7 7.031 -5.756 -21.732 44 HZ PHE 7 HZ PHE 7 8.734 -6.398 -20.075 45 H GLY 8 H GLY 8 1.050 -6.359 -20.820 46 HA2 GLY 8 HA2 GLY 8 -1.126 -7.015 -21.163 47 HA3 GLY 8 HA3 GLY 8 -1.017 -7.965 -19.688 48 H ALA 9 H ALA 9 -0.790 -6.369 -17.730 49 HA ALA 9 HA ALA 9 -3.353 -5.187 -17.465 50 HB1 ALA 9 HB1 ALA 9 -1.002 -4.935 -15.601 51 HB2 ALA 9 HB2 ALA 9 -2.170 -6.256 -15.600 52 HB3 ALA 9 HB3 ALA 9 -2.691 -4.618 -15.208 53 H GLY 10 H GLY 10 -0.417 -3.873 -18.634 54 HA2 GLY 10 HA2 GLY 10 -1.091 -1.131 -17.918 55 HA3 GLY 10 HA3 GLY 10 0.287 -1.647 -18.885 56 H CYS 11 H CYS 11 -3.219 -2.007 -19.159 57 HA CYS 11 HA CYS 11 -3.053 -1.752 -22.011 58 HB2 CYS 11 HB2 CYS 11 -4.649 -3.184 -20.413 59 HB3 CYS 11 HB3 CYS 11 -5.683 -1.779 -20.659 60 H THR 12 H THR 12 -5.339 -0.460 -22.735 61 HA THR 12 HA THR 12 -4.973 2.292 -21.767 62 HB THR 12 HB THR 12 -3.713 2.097 -23.855 63 HG1 THR 12 HG1 THR 12 -4.878 4.047 -23.571 64 HG21 THR 12 HG21 THR 12 -6.301 1.171 -25.096 65 HG22 THR 12 HG22 THR 12 -4.883 0.165 -24.806 66 HG23 THR 12 HG23 THR 12 -4.803 1.490 -25.966 67 H ASP 13 H ASP 13 -6.808 3.664 -22.027 68 HA ASP 13 HA ASP 13 -9.321 2.302 -21.791 69 HB2 ASP 13 HB2 ASP 13 -10.278 4.447 -21.318 70 HB3 ASP 13 HB3 ASP 13 -8.706 4.403 -20.530 71 H THR 14 H THR 14 -7.551 3.809 -24.338 72 HA THR 14 HA THR 14 -9.637 4.348 -26.164 73 HB THR 14 HB THR 14 -6.773 3.543 -26.769 74 HG1 THR 14 HG1 THR 14 -6.533 5.922 -26.844 75 HG21 THR 14 HG21 THR 14 -7.155 5.012 -28.795 76 HG22 THR 14 HG22 THR 14 -8.877 4.985 -28.385 77 HG23 THR 14 HG23 THR 14 -8.036 3.486 -28.794 78 H CYS 15 H CYS 15 -8.384 1.490 -24.959 79 HA CYS 15 HA CYS 15 -8.975 -0.196 -27.223 80 HB2 CYS 15 HB2 CYS 15 -7.048 -0.535 -25.702 81 HB3 CYS 15 HB3 CYS 15 -8.190 -0.875 -24.402 82 H LYS 16 H LYS 16 -10.738 1.216 -24.761 83 HA LYS 16 HA LYS 16 -12.596 -1.035 -24.500 84 HB2 LYS 16 HB2 LYS 16 -12.482 1.588 -23.007 85 HB3 LYS 16 HB3 LYS 16 -13.578 0.255 -22.661 86 HG2 LYS 16 HG2 LYS 16 -11.793 -1.146 -21.968 87 HG3 LYS 16 HG3 LYS 16 -10.587 -0.007 -22.567 88 HD2 LYS 16 HD2 LYS 16 -10.655 0.246 -20.229 89 HD3 LYS 16 HD3 LYS 16 -11.479 1.644 -20.918 90 HE2 LYS 16 HE2 LYS 16 -12.761 0.853 -19.033 91 HE3 LYS 16 HE3 LYS 16 -13.650 0.503 -20.513 92 HZ1 LYS 16 HZ1 LYS 16 -12.971 -1.763 -20.410 93 HZ2 LYS 16 HZ2 LYS 16 -13.612 -1.350 -18.906 94 HZ3 LYS 16 HZ3 LYS 16 -11.938 -1.466 -19.107 95 H GLN 17 H GLN 17 -12.192 0.958 -26.789 96 HA GLN 17 HA GLN 17 -14.814 2.240 -26.886 97 HB2 GLN 17 HB2 GLN 17 -12.654 2.307 -28.989 98 HB3 GLN 17 HB3 GLN 17 -14.048 3.358 -28.866 99 HG2 GLN 17 HG2 GLN 17 -11.598 3.316 -27.139 100 HG3 GLN 17 HG3 GLN 17 -12.151 4.604 -28.204 101 HE21 GLN 17 HE21 GLN 17 -12.313 3.224 -25.096 102 HE22 GLN 17 HE22 GLN 17 -13.390 4.375 -24.407 103 H THR 18 H THR 18 -16.017 2.034 -28.967 104 HA THR 18 HA THR 18 -15.492 -0.356 -30.485 105 HB THR 18 HB THR 18 -18.320 -0.190 -29.692 106 HG1 THR 18 HG1 THR 18 -16.224 -0.597 -27.857 107 HG21 THR 18 HG21 THR 18 -17.423 -1.919 -31.143 108 HG22 THR 18 HG22 THR 18 -18.018 -2.629 -29.635 109 HG23 THR 18 HG23 THR 18 -16.284 -2.386 -29.881 110 HA PRO 19 HA PRO 19 -15.181 -0.756 -32.389 111 HB2 PRO 19 HB2 PRO 19 -13.704 0.494 -34.324 112 HB3 PRO 19 HB3 PRO 19 -15.173 -0.430 -34.649 113 HG2 PRO 19 HG2 PRO 19 -14.812 2.536 -34.411 114 HG3 PRO 19 HG3 PRO 19 -15.802 1.620 -35.561 115 HD2 PRO 19 HD2 PRO 19 -16.850 2.864 -33.388 116 HD3 PRO 19 HD3 PRO 19 -17.536 1.366 -34.049 117 H CYS 20 H CYS 20 -12.938 -1.041 -31.845 118 HA CYS 20 HA CYS 20 -11.905 0.629 -29.855 119 HB2 CYS 20 HB2 CYS 20 -10.873 -1.695 -31.387 120 HB3 CYS 20 HB3 CYS 20 -9.660 -0.661 -30.649 121 H GLY 21 H GLY 21 -10.413 2.255 -29.822 122 HA2 GLY 21 HA2 GLY 21 -10.120 3.655 -32.346 123 HA3 GLY 21 HA3 GLY 21 -9.742 4.284 -30.752 124 H CYS 22 H CYS 22 -8.346 1.264 -31.111 125 HA CYS 22 HA CYS 22 -5.746 2.400 -31.224 126 HB2 CYS 22 HB2 CYS 22 -6.709 -0.448 -31.271 127 HB3 CYS 22 HB3 CYS 22 -5.003 -0.032 -31.365 128 H GLY 23 H GLY 23 -7.404 0.083 -33.380 129 HA2 GLY 23 HA2 GLY 23 -7.243 -0.280 -35.634 130 HA3 GLY 23 HA3 GLY 23 -6.647 1.368 -35.771 131 H SER 24 H SER 24 -4.569 1.687 -36.241 132 HA SER 24 HA SER 24 -2.863 -0.689 -36.467 133 HB2 SER 24 HB2 SER 24 -3.343 0.654 -38.529 134 HB3 SER 24 HB3 SER 24 -2.521 2.020 -37.780 135 HG SER 24 HG SER 24 -0.764 0.255 -37.535 136 H GLY 25 H GLY 25 -3.434 1.370 -34.154 137 HA2 GLY 25 HA2 GLY 25 -0.637 1.469 -33.304 138 HA3 GLY 25 HA3 GLY 25 -1.559 2.967 -33.314 139 H CYS 26 H CYS 26 -0.943 0.024 -31.686 140 HA CYS 26 HA CYS 26 -3.187 0.390 -29.876 141 HB2 CYS 26 HB2 CYS 26 -1.070 -1.747 -29.942 142 HB3 CYS 26 HB3 CYS 26 -2.525 -1.754 -28.949 143 H ASN 27 H ASN 27 -3.050 1.184 -27.918 144 HA ASN 27 HA ASN 27 -0.441 2.084 -26.942 145 HB2 ASN 27 HB2 ASN 27 -3.177 2.632 -25.772 146 HB3 ASN 27 HB3 ASN 27 -1.676 3.452 -25.368 147 HD21 ASN 27 HD21 ASN 27 -4.184 4.536 -26.286 148 HD22 ASN 27 HD22 ASN 27 -3.841 5.395 -27.745 149 H CYS 28 H CYS 28 -2.499 -0.495 -26.693 150 HA CYS 28 HA CYS 28 -2.056 -1.102 -23.910 151 HB2 CYS 28 HB2 CYS 28 -3.305 -3.215 -24.556 152 HB3 CYS 28 HB3 CYS 28 -4.195 -1.708 -24.713 153 H LYS 29 H LYS 29 -1.363 -3.452 -23.465 154 HA LYS 29 HA LYS 29 1.250 -3.770 -24.597 155 HB2 LYS 29 HB2 LYS 29 -0.258 -5.059 -22.387 156 HB3 LYS 29 HB3 LYS 29 1.034 -5.983 -23.125 157 HG2 LYS 29 HG2 LYS 29 1.874 -4.836 -21.194 158 HG3 LYS 29 HG3 LYS 29 2.597 -4.133 -22.642 159 HD2 LYS 29 HD2 LYS 29 0.769 -2.388 -22.494 160 HD3 LYS 29 HD3 LYS 29 0.436 -3.028 -20.883 161 HE2 LYS 29 HE2 LYS 29 1.907 -1.201 -20.590 162 HE3 LYS 29 HE3 LYS 29 2.853 -2.674 -20.364 163 HZ1 LYS 29 HZ1 LYS 29 3.730 -2.449 -22.583 164 HZ2 LYS 29 HZ2 LYS 29 3.992 -1.011 -21.740 165 HZ3 LYS 29 HZ3 LYS 29 2.754 -1.102 -22.879 166 H GLU 30 H GLU 30 1.949 -5.999 -25.135 167 HA GLU 30 HA GLU 30 0.474 -6.874 -27.452 168 HB2 GLU 30 HB2 GLU 30 2.357 -8.495 -27.650 169 HB3 GLU 30 HB3 GLU 30 2.859 -6.809 -27.566 170 HG2 GLU 30 HG2 GLU 30 3.475 -7.041 -25.267 171 HG3 GLU 30 HG3 GLU 30 2.813 -8.672 -25.212 172 H ASP 31 H ASP 31 0.581 -7.686 -24.186 173 HA ASP 31 HA ASP 31 -0.029 -10.469 -24.323 174 HB2 ASP 31 HB2 ASP 31 -0.428 -8.480 -22.089 175 HB3 ASP 31 HB3 ASP 31 -0.482 -10.220 -21.892 176 H CYS 32 H CYS 32 -1.786 -7.807 -25.132 177 HA CYS 32 HA CYS 32 -4.333 -8.540 -24.049 178 HB2 CYS 32 HB2 CYS 32 -3.577 -6.190 -24.574 179 HB3 CYS 32 HB3 CYS 32 -3.742 -6.593 -26.279 180 H ARG 33 H ARG 33 -5.948 -9.661 -25.029 181 HA ARG 33 HA ARG 33 -5.365 -10.828 -27.675 182 HB2 ARG 33 HB2 ARG 33 -5.650 -12.233 -25.408 183 HB3 ARG 33 HB3 ARG 33 -7.345 -12.089 -25.838 184 HG2 ARG 33 HG2 ARG 33 -5.288 -13.138 -27.764 185 HG3 ARG 33 HG3 ARG 33 -6.125 -14.178 -26.617 186 HD2 ARG 33 HD2 ARG 33 -8.253 -13.567 -27.583 187 HD3 ARG 33 HD3 ARG 33 -7.467 -12.433 -28.668 188 HE ARG 33 HE ARG 33 -6.243 -14.734 -29.291 189 HH11 ARG 33 HH11 ARG 33 -9.642 -13.906 -28.984 190 HH12 ARG 33 HH12 ARG 33 -10.158 -15.050 -30.175 191 HH21 ARG 33 HH21 ARG 33 -6.927 -16.214 -30.907 192 HH22 ARG 33 HH22 ARG 33 -8.611 -16.352 -31.285 193 H CYS 34 H CYS 34 -6.310 -8.485 -28.016 194 HA CYS 34 HA CYS 34 -9.231 -8.708 -28.290 195 HB2 CYS 34 HB2 CYS 34 -7.801 -6.666 -27.143 196 HB3 CYS 34 HB3 CYS 34 -7.957 -6.095 -28.798 197 H GLN 35 H GLN 35 -9.633 -9.560 -30.251 198 HA GLN 35 HA GLN 35 -7.953 -9.347 -32.521 199 HB2 GLN 35 HB2 GLN 35 -10.881 -10.043 -32.238 200 HB3 GLN 35 HB3 GLN 35 -10.017 -10.120 -33.767 201 HG2 GLN 35 HG2 GLN 35 -9.325 -11.664 -31.285 202 HG3 GLN 35 HG3 GLN 35 -10.174 -12.298 -32.697 203 HE21 GLN 35 HE21 GLN 35 -7.128 -11.166 -31.447 204 HE22 GLN 35 HE22 GLN 35 -6.151 -11.775 -32.731 205 H SER 36 H SER 36 -10.237 -7.202 -31.139 206 HA SER 36 HA SER 36 -11.190 -5.766 -33.312 207 HB2 SER 36 HB2 SER 36 -10.480 -4.686 -30.581 208 HB3 SER 36 HB3 SER 36 -11.609 -3.970 -31.731 209 HG SER 36 HG SER 36 -12.530 -6.318 -31.510 210 H CYS 37 H CYS 37 -8.102 -5.548 -31.634 211 HA CYS 37 HA CYS 37 -7.251 -3.652 -33.704 212 HB2 CYS 37 HB2 CYS 37 -5.614 -2.886 -31.826 213 HB3 CYS 37 HB3 CYS 37 -7.274 -2.296 -31.854 214 H LYS 38 H LYS 38 -6.870 -6.713 -32.573 215 HA LYS 38 HA LYS 38 -4.039 -6.817 -33.362 216 HB2 LYS 38 HB2 LYS 38 -4.738 -7.675 -31.061 217 HB3 LYS 38 HB3 LYS 38 -5.495 -9.012 -31.921 218 HG2 LYS 38 HG2 LYS 38 -2.864 -8.703 -32.933 219 HG3 LYS 38 HG3 LYS 38 -2.781 -8.697 -31.171 220 HD2 LYS 38 HD2 LYS 38 -3.330 -10.846 -31.031 221 HD3 LYS 38 HD3 LYS 38 -4.553 -10.727 -32.293 222 HE2 LYS 38 HE2 LYS 38 -2.863 -12.187 -33.048 223 HE3 LYS 38 HE3 LYS 38 -2.766 -10.679 -33.951 224 HZ1 LYS 38 HZ1 LYS 38 -0.554 -11.412 -33.301 225 HZ2 LYS 38 HZ2 LYS 38 -1.010 -11.461 -31.679 226 HZ3 LYS 38 HZ3 LYS 38 -0.937 -9.982 -32.488 227 H TYR 39 H TYR 39 -5.570 -6.505 -35.435 228 HA TYR 39 HA TYR 39 -6.461 -8.995 -36.561 229 HB2 TYR 39 HB2 TYR 39 -6.164 -6.201 -37.619 230 HB3 TYR 39 HB3 TYR 39 -6.502 -7.539 -38.711 231 HD1 TYR 39 HD1 TYR 39 -7.946 -4.996 -36.804 232 HD2 TYR 39 HD2 TYR 39 -8.543 -9.061 -37.906 233 HE1 TYR 39 HE1 TYR 39 -10.348 -4.770 -36.321 234 HE2 TYR 39 HE2 TYR 39 -10.943 -8.847 -37.427 235 HH TYR 39 HH TYR 39 -12.413 -7.423 -36.035 236 H GLY 40 H GLY 40 -3.664 -6.893 -36.837 237 HA2 GLY 40 HA2 GLY 40 -1.580 -8.359 -37.069 238 HA3 GLY 40 HA3 GLY 40 -2.364 -8.903 -38.545 239 H ALA 41 H ALA 41 -0.438 -6.506 -37.068 240 HA ALA 41 HA ALA 41 0.748 -4.741 -37.842 241 HB1 ALA 41 HB1 ALA 41 1.497 -6.387 -39.501 242 HB2 ALA 41 HB2 ALA 41 1.445 -4.754 -40.168 243 HB3 ALA 41 HB3 ALA 41 0.173 -5.909 -40.564 244 H GLY 42 H GLY 42 -2.204 -4.515 -37.572 245 HA2 GLY 42 HA2 GLY 42 -3.819 -2.906 -37.889 246 HA3 GLY 42 HA3 GLY 42 -2.520 -1.863 -38.453 247 H CYS 43 H CYS 43 -4.147 -4.793 -39.640 248 HA CYS 43 HA CYS 43 -3.821 -4.032 -42.351 249 HB2 CYS 43 HB2 CYS 43 -4.085 -6.396 -41.303 250 HB3 CYS 43 HB3 CYS 43 -5.811 -6.069 -41.395 251 H THR 44 H THR 44 -5.538 -3.551 -43.864 252 HA THR 44 HA THR 44 -7.150 -1.442 -42.922 253 HB THR 44 HB THR 44 -8.131 -1.713 -45.346 254 HG1 THR 44 HG1 THR 44 -7.161 -3.220 -46.529 255 HG21 THR 44 HG21 THR 44 -5.239 -0.982 -44.838 256 HG22 THR 44 HG22 THR 44 -6.621 0.086 -44.593 257 HG23 THR 44 HG23 THR 44 -6.210 -0.465 -46.215 258 H ASP 45 H ASP 45 -9.296 -1.263 -42.546 259 HA ASP 45 HA ASP 45 -10.730 -3.630 -41.848 260 HB2 ASP 45 HB2 ASP 45 -12.412 -2.209 -40.983 261 HB3 ASP 45 HB3 ASP 45 -10.899 -1.362 -40.693 262 H VAL 46 H VAL 46 -10.612 -1.514 -44.567 263 HA VAL 46 HA VAL 46 -13.042 -2.256 -45.819 264 HB VAL 46 HB VAL 46 -10.497 -1.245 -47.124 265 HG11 VAL 46 HG11 VAL 46 -12.081 -2.113 -48.742 266 HG12 VAL 46 HG12 VAL 46 -12.017 -0.353 -48.842 267 HG13 VAL 46 HG13 VAL 46 -13.369 -1.143 -48.033 268 HG21 VAL 46 HG21 VAL 46 -12.831 0.322 -46.031 269 HG22 VAL 46 HG22 VAL 46 -11.423 0.990 -46.859 270 HG23 VAL 46 HG23 VAL 46 -11.238 0.207 -45.288 271 H CYS 47 H CYS 47 -10.120 -3.891 -45.366 272 HA CYS 47 HA CYS 47 -10.216 -5.577 -47.682 273 HB2 CYS 47 HB2 CYS 47 -8.117 -4.981 -46.499 274 HB3 CYS 47 HB3 CYS 47 -8.660 -5.892 -45.098 275 H LYS 48 H LYS 48 -11.467 -5.616 -44.443 276 HA LYS 48 HA LYS 48 -12.192 -8.415 -44.550 277 HB2 LYS 48 HB2 LYS 48 -12.625 -6.317 -42.427 278 HB3 LYS 48 HB3 LYS 48 -12.914 -8.047 -42.242 279 HG2 LYS 48 HG2 LYS 48 -10.783 -8.417 -41.788 280 HG3 LYS 48 HG3 LYS 48 -10.290 -7.574 -43.248 281 HD2 LYS 48 HD2 LYS 48 -10.497 -5.441 -42.047 282 HD3 LYS 48 HD3 LYS 48 -10.840 -6.334 -40.561 283 HE2 LYS 48 HE2 LYS 48 -8.447 -5.625 -40.823 284 HE3 LYS 48 HE3 LYS 48 -8.657 -7.358 -40.600 285 HZ1 LYS 48 HZ1 LYS 48 -8.152 -5.945 -43.172 286 HZ2 LYS 48 HZ2 LYS 48 -8.484 -7.602 -43.045 287 HZ3 LYS 48 HZ3 LYS 48 -7.082 -6.976 -42.359 288 H GLN 49 H GLN 49 -13.385 -6.173 -46.228 289 HA GLN 49 HA GLN 49 -16.149 -6.104 -45.386 290 HB2 GLN 49 HB2 GLN 49 -14.778 -5.032 -47.843 291 HB3 GLN 49 HB3 GLN 49 -16.471 -4.779 -47.447 292 HG2 GLN 49 HG2 GLN 49 -14.230 -3.958 -45.643 293 HG3 GLN 49 HG3 GLN 49 -14.888 -2.911 -46.900 294 HE21 GLN 49 HE21 GLN 49 -15.605 -1.401 -45.453 295 HE22 GLN 49 HE22 GLN 49 -16.946 -1.671 -44.400 296 H THR 50 H THR 50 -17.824 -6.601 -47.092 297 HA THR 50 HA THR 50 -17.046 -8.690 -48.949 298 HB THR 50 HB THR 50 -19.229 -9.111 -46.891 299 HG1 THR 50 HG1 THR 50 -16.654 -9.463 -46.676 300 HG21 THR 50 HG21 THR 50 -19.765 -10.105 -49.075 301 HG22 THR 50 HG22 THR 50 -19.414 -11.352 -47.879 302 HG23 THR 50 HG23 THR 50 -18.203 -10.922 -49.087 303 HA PRO 51 HA PRO 51 -17.066 -8.872 -50.880 304 HB2 PRO 51 HB2 PRO 51 -16.641 -7.361 -53.080 305 HB3 PRO 51 HB3 PRO 51 -17.882 -8.620 -53.024 306 HG2 PRO 51 HG2 PRO 51 -18.173 -5.660 -52.670 307 HG3 PRO 51 HG3 PRO 51 -19.178 -6.777 -53.611 308 HD2 PRO 51 HD2 PRO 51 -19.880 -5.906 -51.143 309 HD3 PRO 51 HD3 PRO 51 -20.321 -7.515 -51.751 310 H CYS 52 H CYS 52 -14.848 -8.294 -51.159 311 HA CYS 52 HA CYS 52 -13.890 -6.383 -49.348 312 HB2 CYS 52 HB2 CYS 52 -12.611 -8.355 -49.994 313 HB3 CYS 52 HB3 CYS 52 -12.494 -7.748 -51.643 314 H GLY 53 H GLY 53 -12.925 -4.350 -49.656 315 HA2 GLY 53 HA2 GLY 53 -13.531 -3.159 -52.287 316 HA3 GLY 53 HA3 GLY 53 -13.840 -2.315 -50.780 317 H CYS 54 H CYS 54 -10.947 -4.130 -50.746 318 HA CYS 54 HA CYS 54 -9.343 -1.842 -50.423 319 HB2 CYS 54 HB2 CYS 54 -8.689 -4.716 -50.949 320 HB3 CYS 54 HB3 CYS 54 -7.430 -3.491 -50.825 321 H ALA 55 H ALA 55 -9.998 -3.831 -53.243 322 HA ALA 55 HA ALA 55 -8.078 -2.525 -54.905 323 HB1 ALA 55 HB1 ALA 55 -10.496 -4.157 -55.683 324 HB2 ALA 55 HB2 ALA 55 -8.879 -4.793 -55.385 325 HB3 ALA 55 HB3 ALA 55 -9.162 -3.708 -56.746 326 H THR 56 H THR 56 -10.973 -1.547 -53.611 327 HA THR 56 HA THR 56 -11.660 0.204 -55.844 328 HB THR 56 HB THR 56 -13.199 -0.371 -53.307 329 HG1 THR 56 HG1 THR 56 -13.263 -1.526 -55.905 330 HG21 THR 56 HG21 THR 56 -14.007 0.985 -55.884 331 HG22 THR 56 HG22 THR 56 -13.799 1.764 -54.315 332 HG23 THR 56 HG23 THR 56 -15.097 0.594 -54.555 333 H SER 57 H SER 57 -11.321 0.382 -52.281 334 HA SER 57 HA SER 57 -11.132 3.286 -52.471 335 HB2 SER 57 HB2 SER 57 -11.302 1.525 -50.024 336 HB3 SER 57 HB3 SER 57 -11.487 3.278 -50.070 337 HG SER 57 HG SER 57 -13.332 1.372 -50.516 338 H GLY 58 H GLY 58 -8.997 0.647 -52.223 339 HA2 GLY 58 HA2 GLY 58 -6.623 1.047 -52.378 340 HA3 GLY 58 HA3 GLY 58 -6.843 2.471 -51.365 341 H CYS 59 H CYS 59 -4.901 0.648 -50.671 342 HA CYS 59 HA CYS 59 -5.842 -0.194 -48.094 343 HB2 CYS 59 HB2 CYS 59 -5.067 -2.589 -48.500 344 HB3 CYS 59 HB3 CYS 59 -6.616 -2.113 -49.189 345 H ASN 60 H ASN 60 -4.040 -1.552 -46.987 346 HA ASN 60 HA ASN 60 -1.470 -0.179 -47.448 347 HB2 ASN 60 HB2 ASN 60 -2.471 0.214 -45.241 348 HB3 ASN 60 HB3 ASN 60 -2.595 -1.516 -44.965 349 HD21 ASN 60 HD21 ASN 60 -1.366 -1.440 -43.100 350 HD22 ASN 60 HD22 ASN 60 0.336 -1.157 -43.112 351 H CYS 61 H CYS 61 -3.047 -3.233 -47.401 352 HA CYS 61 HA CYS 61 -0.661 -4.795 -47.088 353 HB2 CYS 61 HB2 CYS 61 -2.333 -6.662 -47.658 354 HB3 CYS 61 HB3 CYS 61 -2.548 -5.783 -46.147 355 H THR 62 H THR 62 -0.336 -6.611 -48.704 356 HA THR 62 HA THR 62 -0.560 -5.619 -51.462 357 HB THR 62 HB THR 62 1.744 -6.851 -51.706 358 HG1 THR 62 HG1 THR 62 1.866 -6.087 -48.968 359 HG21 THR 62 HG21 THR 62 1.531 -4.171 -50.316 360 HG22 THR 62 HG22 THR 62 1.427 -4.439 -52.056 361 HG23 THR 62 HG23 THR 62 2.937 -4.760 -51.203 362 H ASP 63 H ASP 63 0.496 -7.690 -52.831 363 HA ASP 63 HA ASP 63 -1.486 -9.709 -52.756 364 HB2 ASP 63 HB2 ASP 63 0.937 -9.148 -54.326 365 HB3 ASP 63 HB3 ASP 63 0.529 -10.857 -54.185 366 H ASP 64 H ASP 64 1.075 -9.253 -50.744 367 HA ASP 64 HA ASP 64 1.830 -11.974 -50.208 368 HB2 ASP 64 HB2 ASP 64 3.398 -10.179 -49.737 369 HB3 ASP 64 HB3 ASP 64 2.244 -9.400 -48.666 370 H CYS 65 H CYS 65 -0.789 -10.000 -49.455 371 HA CYS 65 HA CYS 65 -1.476 -10.999 -46.866 372 HB2 CYS 65 HB2 CYS 65 -2.202 -8.793 -47.955 373 HB3 CYS 65 HB3 CYS 65 -3.352 -9.751 -48.877 374 H LYS 66 H LYS 66 -3.535 -12.191 -46.461 375 HA LYS 66 HA LYS 66 -3.563 -14.547 -48.169 376 HB2 LYS 66 HB2 LYS 66 -4.795 -14.002 -45.469 377 HB3 LYS 66 HB3 LYS 66 -5.073 -15.488 -46.363 378 HG2 LYS 66 HG2 LYS 66 -3.365 -15.982 -44.826 379 HG3 LYS 66 HG3 LYS 66 -2.559 -15.782 -46.383 380 HD2 LYS 66 HD2 LYS 66 -2.004 -13.467 -45.757 381 HD3 LYS 66 HD3 LYS 66 -2.728 -13.751 -44.174 382 HE2 LYS 66 HE2 LYS 66 -1.107 -15.482 -43.702 383 HE3 LYS 66 HE3 LYS 66 -0.425 -15.323 -45.320 384 HZ1 LYS 66 HZ1 LYS 66 0.875 -14.167 -43.603 385 HZ2 LYS 66 HZ2 LYS 66 -0.446 -13.171 -43.279 386 HZ3 LYS 66 HZ3 LYS 66 0.303 -13.107 -44.789 387 H CYS 67 H CYS 67 -4.891 -11.887 -48.793 388 HA CYS 67 HA CYS 67 -7.591 -12.921 -49.217 389 HB2 CYS 67 HB2 CYS 67 -7.404 -10.714 -48.084 390 HB3 CYS 67 HB3 CYS 67 -6.605 -10.080 -49.522 391 H GLN 68 H GLN 68 -8.443 -13.036 -51.265 392 HA GLN 68 HA GLN 68 -6.455 -12.857 -53.423 393 HB2 GLN 68 HB2 GLN 68 -8.928 -14.563 -53.156 394 HB3 GLN 68 HB3 GLN 68 -7.924 -14.494 -54.598 395 HG2 GLN 68 HG2 GLN 68 -6.071 -15.447 -53.447 396 HG3 GLN 68 HG3 GLN 68 -6.889 -15.298 -51.893 397 HE21 GLN 68 HE21 GLN 68 -6.644 -17.505 -51.510 398 HE22 GLN 68 HE22 GLN 68 -7.606 -18.684 -52.324 399 H SER 69 H SER 69 -8.710 -10.973 -52.210 400 HA SER 69 HA SER 69 -10.250 -10.452 -54.602 401 HB2 SER 69 HB2 SER 69 -10.259 -8.952 -51.982 402 HB3 SER 69 HB3 SER 69 -11.482 -8.883 -53.252 403 HG SER 69 HG SER 69 -12.218 -10.826 -52.688 404 H CYS 70 H CYS 70 -7.879 -8.643 -52.602 405 HA CYS 70 HA CYS 70 -7.695 -6.676 -54.758 406 HB2 CYS 70 HB2 CYS 70 -6.359 -5.359 -53.092 407 HB3 CYS 70 HB3 CYS 70 -8.022 -5.677 -52.618 408 H SER 71 H SER 71 -6.441 -9.484 -54.509 409 HA SER 71 HA SER 71 -3.656 -8.689 -54.933 410 HB2 SER 71 HB2 SER 71 -4.804 -11.426 -54.349 411 HB3 SER 71 HB3 SER 71 -3.091 -11.033 -54.506 412 HG SER 71 HG SER 71 -4.390 -11.018 -52.308 413 H THR 72 H THR 72 -2.540 -9.337 -56.745 414 HA THR 72 HA THR 72 -3.949 -9.488 -59.175 415 HB THR 72 HB THR 72 -1.715 -10.167 -60.158 416 HG1 THR 72 HG1 THR 72 -1.123 -10.269 -57.417 417 HG21 THR 72 HG21 THR 72 -0.625 -8.017 -59.690 418 HG22 THR 72 HG22 THR 72 -1.787 -7.726 -58.391 419 HG23 THR 72 HG23 THR 72 -2.340 -7.831 -60.064 420 H ALA 73 H ALA 73 -4.593 -11.146 -60.399 421 HA ALA 73 HA ALA 73 -4.803 -13.731 -59.205 422 HB1 ALA 73 HB1 ALA 73 -6.626 -12.860 -60.518 423 HB2 ALA 73 HB2 ALA 73 -5.971 -14.292 -61.318 424 HB3 ALA 73 HB3 ALA 73 -5.576 -12.686 -61.922 425 H CYS 74 H CYS 74 -3.889 -15.638 -59.894 426 HA CYS 74 HA CYS 74 -1.292 -15.673 -60.899 427 HB2 CYS 74 HB2 CYS 74 -2.478 -17.539 -59.650 428 HB3 CYS 74 HB3 CYS 74 -3.313 -17.890 -61.161 429 H LYS 75 H LYS 75 -0.493 -16.076 -62.955 430 HA LYS 75 HA LYS 75 -2.290 -15.216 -65.038 431 HB2 LYS 75 HB2 LYS 75 0.662 -15.828 -65.235 432 HB3 LYS 75 HB3 LYS 75 -0.310 -14.968 -66.418 433 HG2 LYS 75 HG2 LYS 75 0.160 -13.986 -63.610 434 HG3 LYS 75 HG3 LYS 75 1.141 -13.515 -64.995 435 HD2 LYS 75 HD2 LYS 75 -1.845 -13.127 -64.881 436 HD3 LYS 75 HD3 LYS 75 -0.696 -11.909 -64.332 437 HE2 LYS 75 HE2 LYS 75 -0.836 -13.074 -67.113 438 HE3 LYS 75 HE3 LYS 75 -1.449 -11.496 -66.629 439 HZ1 LYS 75 HZ1 LYS 75 0.839 -10.884 -66.003 440 HZ2 LYS 75 HZ2 LYS 75 0.694 -11.245 -67.642 441 HZ3 LYS 75 HZ3 LYS 75 1.394 -12.368 -66.595 442 H CYS 76 H CYS 76 -1.524 -18.076 -63.691 443 HA CYS 76 HA CYS 76 -1.357 -19.681 -66.060 444 HB2 CYS 76 HB2 CYS 76 -1.798 -20.413 -63.165 445 HB3 CYS 76 HB3 CYS 76 -1.559 -21.572 -64.470 446 H ALA 77 H ALA 77 -2.934 -21.405 -66.487 447 HA ALA 77 HA ALA 77 -5.675 -20.473 -65.978 448 HB1 ALA 77 HB1 ALA 77 -4.957 -20.073 -68.298 449 HB2 ALA 77 HB2 ALA 77 -6.293 -21.218 -68.187 450 HB3 ALA 77 HB3 ALA 77 -4.656 -21.801 -68.482 451 H ALA 78 H ALA 78 -7.269 -22.312 -66.486 452 HA ALA 78 HA ALA 78 -7.144 -24.222 -64.549 453 HB1 ALA 78 HB1 ALA 78 -8.930 -25.386 -65.709 454 HB2 ALA 78 HB2 ALA 78 -8.561 -24.502 -67.190 455 HB3 ALA 78 HB3 ALA 78 -9.169 -23.640 -65.776 456 H GLY 79 H GLY 79 -5.974 -24.585 -67.869 457 HA2 GLY 79 HA2 GLY 79 -4.643 -27.064 -66.987 458 HA3 GLY 79 HA3 GLY 79 -5.408 -26.939 -68.565 459 H SER 80 H SER 80 -3.585 -24.394 -66.989 460 HA SER 80 HA SER 80 -1.311 -24.826 -68.773 461 HB2 SER 80 HB2 SER 80 -2.682 -22.136 -68.559 462 HB3 SER 80 HB3 SER 80 -1.353 -22.576 -69.626 463 HG SER 80 HG SER 80 -2.792 -23.152 -71.016 464 H CYS 81 H CYS 81 0.297 -24.990 -67.315 465 HA CYS 81 HA CYS 81 0.413 -23.026 -65.113 466 HB2 CYS 81 HB2 CYS 81 0.083 -25.778 -64.879 467 HB3 CYS 81 HB3 CYS 81 1.802 -25.539 -64.597 468 H LYS 82 H LYS 82 2.388 -22.022 -64.763 469 HA LYS 82 HA LYS 82 4.700 -23.068 -66.215 470 HB2 LYS 82 HB2 LYS 82 5.427 -20.707 -66.726 471 HB3 LYS 82 HB3 LYS 82 4.133 -21.386 -67.694 472 HG2 LYS 82 HG2 LYS 82 3.495 -19.736 -65.308 473 HG3 LYS 82 HG3 LYS 82 3.979 -18.978 -66.829 474 HD2 LYS 82 HD2 LYS 82 2.230 -20.345 -67.957 475 HD3 LYS 82 HD3 LYS 82 1.665 -20.829 -66.356 476 HE2 LYS 82 HE2 LYS 82 1.011 -18.682 -65.818 477 HE3 LYS 82 HE3 LYS 82 1.990 -17.962 -67.098 478 HZ1 LYS 82 HZ1 LYS 82 0.510 -18.823 -68.739 479 HZ2 LYS 82 HZ2 LYS 82 -0.427 -18.006 -67.597 480 HZ3 LYS 82 HZ3 LYS 82 -0.370 -19.694 -67.597 481 H CYS 83 H CYS 83 3.607 -20.930 -63.586 482 HA CYS 83 HA CYS 83 6.105 -20.439 -62.451 483 HB2 CYS 83 HB2 CYS 83 4.840 -20.137 -60.348 484 HB3 CYS 83 HB3 CYS 83 4.069 -19.327 -61.713 485 H GLY 84 H GLY 84 4.168 -23.302 -62.548 486 HA2 GLY 84 HA2 GLY 84 4.776 -25.478 -62.082 487 HA3 GLY 84 HA3 GLY 84 6.314 -24.883 -61.474 488 H LYS 85 H LYS 85 3.462 -23.441 -60.218 489 HA LYS 85 HA LYS 85 4.027 -24.760 -57.677 490 HB2 LYS 85 HB2 LYS 85 2.360 -22.303 -58.221 491 HB3 LYS 85 HB3 LYS 85 2.800 -22.928 -56.638 492 HG2 LYS 85 HG2 LYS 85 4.654 -21.773 -58.711 493 HG3 LYS 85 HG3 LYS 85 4.219 -21.068 -57.154 494 HD2 LYS 85 HD2 LYS 85 5.324 -22.914 -55.997 495 HD3 LYS 85 HD3 LYS 85 5.718 -23.665 -57.544 496 HE2 LYS 85 HE2 LYS 85 7.654 -22.501 -56.690 497 HE3 LYS 85 HE3 LYS 85 7.057 -21.683 -58.133 498 HZ1 LYS 85 HZ1 LYS 85 7.637 -20.119 -56.397 499 HZ2 LYS 85 HZ2 LYS 85 6.542 -20.840 -55.335 500 HZ3 LYS 85 HZ3 LYS 85 5.983 -20.049 -56.713 501 H GLY 86 H GLY 86 2.061 -25.299 -60.197 502 HA2 GLY 86 HA2 GLY 86 0.217 -26.622 -60.491 503 HA3 GLY 86 HA3 GLY 86 0.522 -27.228 -58.873 504 H CYS 87 H CYS 87 -0.403 -23.998 -59.971 505 HA CYS 87 HA CYS 87 -2.718 -24.132 -58.177 506 HB2 CYS 87 HB2 CYS 87 -2.650 -21.584 -58.766 507 HB3 CYS 87 HB3 CYS 87 -1.537 -22.256 -57.574 508 H THR 88 H THR 88 -1.734 -23.398 -61.458 509 HA THR 88 HA THR 88 -2.852 -23.068 -63.382 510 HB THR 88 HB THR 88 -4.795 -24.640 -63.808 511 HG1 THR 88 HG1 THR 88 -4.697 -24.828 -61.127 512 HG21 THR 88 HG21 THR 88 -2.244 -25.836 -62.714 513 HG22 THR 88 HG22 THR 88 -2.500 -25.257 -64.362 514 HG23 THR 88 HG23 THR 88 -3.391 -26.659 -63.772 515 H GLY 89 H GLY 89 -3.387 -21.012 -61.718 516 HA2 GLY 89 HA2 GLY 89 -5.009 -19.328 -62.664 517 HA3 GLY 89 HA3 GLY 89 -6.248 -20.498 -62.242 518 HA PRO 90 HA PRO 90 -5.098 -17.363 -58.741 519 HB2 PRO 90 HB2 PRO 90 -7.411 -15.914 -58.833 520 HB3 PRO 90 HB3 PRO 90 -5.941 -15.469 -59.708 521 HG2 PRO 90 HG2 PRO 90 -8.346 -16.967 -60.692 522 HG3 PRO 90 HG3 PRO 90 -7.501 -15.608 -61.465 523 HD2 PRO 90 HD2 PRO 90 -7.063 -18.102 -62.263 524 HD3 PRO 90 HD3 PRO 90 -5.707 -16.960 -62.121 525 H ASP 91 H ASP 91 -8.134 -18.901 -59.666 526 HA ASP 91 HA ASP 91 -9.366 -18.856 -57.144 527 HB2 ASP 91 HB2 ASP 91 -10.619 -19.254 -59.185 528 HB3 ASP 91 HB3 ASP 91 -9.758 -20.764 -59.447 529 H SER 92 H SER 92 -7.023 -21.019 -58.533 530 HA SER 92 HA SER 92 -7.114 -22.611 -56.068 531 HB2 SER 92 HB2 SER 92 -6.026 -23.484 -58.746 532 HB3 SER 92 HB3 SER 92 -6.275 -24.487 -57.316 533 HG SER 92 HG SER 92 -8.170 -23.369 -59.071 534 H CYS 93 H CYS 93 -5.638 -20.062 -56.935 535 HA CYS 93 HA CYS 93 -2.867 -20.859 -56.802 536 HB2 CYS 93 HB2 CYS 93 -3.561 -18.933 -58.203 537 HB3 CYS 93 HB3 CYS 93 -4.106 -18.092 -56.760 538 H LYS 94 H LYS 94 -2.456 -21.744 -54.855 539 HA LYS 94 HA LYS 94 -3.230 -20.328 -52.436 540 HB2 LYS 94 HB2 LYS 94 -2.260 -22.231 -51.241 541 HB3 LYS 94 HB3 LYS 94 -3.406 -22.778 -52.453 542 HG2 LYS 94 HG2 LYS 94 -1.554 -23.378 -53.938 543 HG3 LYS 94 HG3 LYS 94 -0.402 -22.817 -52.726 544 HD2 LYS 94 HD2 LYS 94 -2.375 -25.087 -52.384 545 HD3 LYS 94 HD3 LYS 94 -0.641 -25.257 -52.652 546 HE2 LYS 94 HE2 LYS 94 -0.209 -24.081 -50.546 547 HE3 LYS 94 HE3 LYS 94 -1.943 -23.925 -50.281 548 HZ1 LYS 94 HZ1 LYS 94 -2.118 -26.315 -50.206 549 HZ2 LYS 94 HZ2 LYS 94 -1.005 -25.773 -49.056 550 HZ3 LYS 94 HZ3 LYS 94 -0.458 -26.477 -50.486 551 H CYS 95 H CYS 95 -1.315 -19.396 -54.498 552 HA CYS 95 HA CYS 95 1.115 -19.120 -52.893 553 HB2 CYS 95 HB2 CYS 95 0.745 -18.588 -55.839 554 HB3 CYS 95 HB3 CYS 95 2.262 -18.687 -54.957 555 H ASP 96 H ASP 96 2.070 -17.025 -52.770 556 HA ASP 96 HA ASP 96 0.076 -14.886 -52.800 557 HB2 ASP 96 HB2 ASP 96 1.567 -13.721 -51.263 558 HB3 ASP 96 HB3 ASP 96 1.280 -15.357 -50.688 559 H ARG 97 H ARG 97 2.018 -12.772 -52.740 560 HA ARG 97 HA ARG 97 2.216 -12.079 -55.446 561 HB2 ARG 97 HB2 ARG 97 3.569 -10.222 -54.712 562 HB3 ARG 97 HB3 ARG 97 2.247 -10.472 -53.584 563 HG2 ARG 97 HG2 ARG 97 3.724 -11.581 -52.043 564 HG3 ARG 97 HG3 ARG 97 5.069 -11.378 -53.173 565 HD2 ARG 97 HD2 ARG 97 4.849 -8.994 -53.047 566 HD3 ARG 97 HD3 ARG 97 3.443 -9.151 -51.998 567 HE ARG 97 HE ARG 97 5.706 -10.471 -50.900 568 HH11 ARG 97 HH11 ARG 97 4.311 -7.293 -51.382 569 HH12 ARG 97 HH12 ARG 97 5.047 -6.609 -49.977 570 HH21 ARG 97 HH21 ARG 97 6.707 -9.543 -49.031 571 HH22 ARG 97 HH22 ARG 97 6.413 -7.882 -48.646 572 H SER 98 H SER 98 4.231 -14.009 -53.470 573 HA SER 98 HA SER 98 6.697 -13.592 -54.776 574 HB2 SER 98 HB2 SER 98 6.293 -14.590 -52.455 575 HB3 SER 98 HB3 SER 98 5.933 -16.099 -53.289 576 HG SER 98 HG SER 98 8.310 -14.686 -53.817 577 H CYS 99 H CYS 99 3.919 -14.989 -55.864 578 HA CYS 99 HA CYS 99 4.834 -17.168 -57.382 579 HB2 CYS 99 HB2 CYS 99 2.406 -16.263 -56.861 580 HB3 CYS 99 HB3 CYS 99 2.674 -15.364 -58.350 581 H SER 100 H SER 100 5.931 -17.211 -59.246 582 HA SER 100 HA SER 100 7.295 -14.913 -60.142 583 HB2 SER 100 HB2 SER 100 6.996 -17.547 -61.567 584 HB3 SER 100 HB3 SER 100 8.317 -16.387 -61.738 585 HG SER 100 HG SER 100 9.224 -17.227 -60.041 586 H CYS 101 H CYS 101 4.234 -16.156 -60.972 587 HA CYS 101 HA CYS 101 4.182 -15.311 -63.679 588 HB2 CYS 101 HB2 CYS 101 2.056 -16.181 -61.756 589 HB3 CYS 101 HB3 CYS 101 1.690 -15.686 -63.409 590 H LYS 102 H LYS 102 3.580 -13.670 -60.679 591 HA LYS 102 HA LYS 102 1.756 -11.737 -61.597 592 HB2 LYS 102 HB2 LYS 102 3.870 -11.324 -59.490 593 HB3 LYS 102 HB3 LYS 102 2.372 -10.404 -59.679 594 HG2 LYS 102 HG2 LYS 102 2.731 -13.238 -58.755 595 HG3 LYS 102 HG3 LYS 102 2.039 -11.879 -57.874 596 HD2 LYS 102 HD2 LYS 102 0.125 -11.858 -59.438 597 HD3 LYS 102 HD3 LYS 102 0.836 -13.229 -60.297 598 HE2 LYS 102 HE2 LYS 102 -0.753 -14.193 -58.840 599 HE3 LYS 102 HE3 LYS 102 0.807 -14.442 -58.052 600 HZ1 LYS 102 HZ1 LYS 102 -1.222 -12.384 -57.364 601 HZ2 LYS 102 HZ2 LYS 102 0.323 -12.432 -56.697 602 HZ3 LYS 102 HZ3 LYS 102 -0.749 -13.708 -56.426
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