NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
631711 | 6fs5 | 34238 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 LYS 1 H LYS 1 1.806 0.000 0.856 2 HA LYS 1 HA LYS 1 2.043 -0.994 -1.661 3 HB2 LYS 1 HB2 LYS 1 1.004 1.784 -1.686 4 HB3 LYS 1 HB3 LYS 1 2.291 1.418 -2.828 5 HG2 LYS 1 HG2 LYS 1 0.601 -0.702 -3.169 6 HG3 LYS 1 HG3 LYS 1 -0.516 0.626 -2.844 7 HD2 LYS 1 HD2 LYS 1 1.717 0.978 -4.806 8 HD3 LYS 1 HD3 LYS 1 0.233 0.151 -5.287 9 HE2 LYS 1 HE2 LYS 1 -0.306 2.613 -3.852 10 HE3 LYS 1 HE3 LYS 1 0.684 2.889 -5.284 11 HZ1 LYS 1 HZ1 LYS 1 -1.075 2.594 -6.574 12 HZ2 LYS 1 HZ2 LYS 1 -2.049 2.520 -5.193 13 HZ3 LYS 1 HZ3 LYS 1 -1.431 1.098 -5.869 14 H THR 2 H THR 2 4.038 -0.129 -2.860 15 HA THR 2 HA THR 2 5.962 1.028 -0.959 16 HB THR 2 HB THR 2 7.544 -0.649 -2.432 17 HG1 THR 2 HG1 THR 2 5.080 -1.985 -1.902 18 HG21 THR 2 HG21 THR 2 7.743 -1.966 -0.416 19 HG22 THR 2 HG22 THR 2 6.194 -1.363 0.173 20 HG23 THR 2 HG23 THR 2 7.567 -0.268 0.021 21 H LYS 3 H LYS 3 8.083 1.569 -2.182 22 HA LYS 3 HA LYS 3 9.087 2.976 -3.664 23 HB2 LYS 3 HB2 LYS 3 8.544 0.819 -5.037 24 HB3 LYS 3 HB3 LYS 3 7.364 1.846 -5.841 25 HG2 LYS 3 HG2 LYS 3 9.009 3.246 -6.726 26 HG3 LYS 3 HG3 LYS 3 10.238 2.659 -5.603 27 HD2 LYS 3 HD2 LYS 3 10.880 1.156 -7.110 28 HD3 LYS 3 HD3 LYS 3 9.273 0.427 -7.057 29 HE2 LYS 3 HE2 LYS 3 8.583 1.482 -8.953 30 HE3 LYS 3 HE3 LYS 3 9.594 2.897 -8.664 31 HZ1 LYS 3 HZ1 LYS 3 11.499 1.205 -9.135 32 HZ2 LYS 3 HZ2 LYS 3 10.668 1.930 -10.417 33 HZ3 LYS 3 HZ3 LYS 3 10.286 0.351 -9.948 34 H LEU 4 H LEU 4 6.903 4.087 -2.316 35 HA LEU 4 HA LEU 4 5.532 5.697 -4.351 36 HB2 LEU 4 HB2 LEU 4 4.653 4.501 -1.993 37 HB3 LEU 4 HB3 LEU 4 4.740 6.221 -1.621 38 HG LEU 4 HG LEU 4 3.334 6.572 -3.726 39 HD11 LEU 4 HD11 LEU 4 2.925 4.788 -4.978 40 HD12 LEU 4 HD12 LEU 4 1.927 4.159 -3.668 41 HD13 LEU 4 HD13 LEU 4 3.630 3.712 -3.772 42 HD21 LEU 4 HD21 LEU 4 1.808 5.021 -1.689 43 HD22 LEU 4 HD22 LEU 4 1.417 6.555 -2.466 44 HD23 LEU 4 HD23 LEU 4 2.642 6.495 -1.198 45 H THR 5 H THR 5 7.665 5.919 -1.570 46 HA THR 5 HA THR 5 7.687 8.633 -1.091 47 HB THR 5 HB THR 5 10.268 8.168 -0.661 48 HG1 THR 5 HG1 THR 5 10.371 5.829 -0.108 49 HG21 THR 5 HG21 THR 5 8.498 8.562 1.039 50 HG22 THR 5 HG22 THR 5 9.703 7.380 1.550 51 HG23 THR 5 HG23 THR 5 8.119 6.841 0.993 52 H GLU 6 H GLU 6 9.091 6.868 -3.754 53 HA GLU 6 HA GLU 6 10.683 9.081 -4.686 54 HB2 GLU 6 HB2 GLU 6 10.585 6.318 -5.186 55 HB3 GLU 6 HB3 GLU 6 10.164 7.089 -6.709 56 HG2 GLU 6 HG2 GLU 6 12.265 8.574 -6.142 57 HG3 GLU 6 HG3 GLU 6 12.707 7.163 -5.181 58 H GLU 7 H GLU 7 7.816 7.375 -5.948 59 HA GLU 7 HA GLU 7 7.298 9.106 -8.074 60 HB2 GLU 7 HB2 GLU 7 6.178 6.799 -7.154 61 HB3 GLU 7 HB3 GLU 7 4.926 7.965 -6.750 62 HG2 GLU 7 HG2 GLU 7 5.287 8.747 -9.222 63 HG3 GLU 7 HG3 GLU 7 5.945 7.123 -9.414 64 H GLU 8 H GLU 8 6.696 9.449 -4.682 65 HA GLU 8 HA GLU 8 4.668 11.421 -4.814 66 HB2 GLU 8 HB2 GLU 8 5.412 10.004 -2.799 67 HB3 GLU 8 HB3 GLU 8 6.682 11.202 -2.589 68 HG2 GLU 8 HG2 GLU 8 4.504 12.796 -2.793 69 HG3 GLU 8 HG3 GLU 8 3.811 11.371 -2.021 70 H LYS 9 H LYS 9 8.124 11.791 -3.998 71 HA LYS 9 HA LYS 9 8.236 14.551 -4.037 72 HB2 LYS 9 HB2 LYS 9 10.524 14.335 -3.954 73 HB3 LYS 9 HB3 LYS 9 10.038 12.718 -3.464 74 HG2 LYS 9 HG2 LYS 9 10.239 12.133 -5.962 75 HG3 LYS 9 HG3 LYS 9 11.160 13.633 -6.082 76 HD2 LYS 9 HD2 LYS 9 12.149 12.236 -3.837 77 HD3 LYS 9 HD3 LYS 9 12.010 11.065 -5.151 78 HE2 LYS 9 HE2 LYS 9 13.455 12.276 -6.535 79 HE3 LYS 9 HE3 LYS 9 13.279 13.749 -5.582 80 HZ1 LYS 9 HZ1 LYS 9 14.652 12.922 -3.915 81 HZ2 LYS 9 HZ2 LYS 9 15.423 12.426 -5.336 82 HZ3 LYS 9 HZ3 LYS 9 14.512 11.319 -4.439 83 H ASN 10 H ASN 10 8.247 12.296 -6.710 84 HA ASN 10 HA ASN 10 9.113 14.099 -8.713 85 HB2 ASN 10 HB2 ASN 10 7.609 11.493 -8.769 86 HB3 ASN 10 HB3 ASN 10 7.894 12.410 -10.245 87 HD21 ASN 10 HD21 ASN 10 8.991 9.906 -8.559 88 HD22 ASN 10 HD22 ASN 10 10.667 9.945 -8.976 89 H ARG 11 H ARG 11 5.990 13.378 -7.304 90 HA ARG 11 HA ARG 11 4.468 14.786 -9.275 91 HB2 ARG 11 HB2 ARG 11 3.744 12.934 -7.549 92 HB3 ARG 11 HB3 ARG 11 3.453 14.317 -6.502 93 HG2 ARG 11 HG2 ARG 11 2.316 14.437 -9.230 94 HG3 ARG 11 HG3 ARG 11 1.588 13.296 -8.097 95 HD2 ARG 11 HD2 ARG 11 1.975 16.252 -7.640 96 HD3 ARG 11 HD3 ARG 11 0.452 15.456 -8.032 97 HE ARG 11 HE ARG 11 1.770 15.529 -5.470 98 HH11 ARG 11 HH11 ARG 11 -1.390 13.166 -6.144 99 HH12 ARG 11 HH12 ARG 11 -0.540 13.870 -7.479 100 HH21 ARG 11 HH21 ARG 11 -0.709 13.586 -3.998 101 HH22 ARG 11 HH22 ARG 11 0.658 14.607 -3.705 102 H LEU 12 H LEU 12 5.771 15.556 -6.085 103 HA LEU 12 HA LEU 12 4.540 17.962 -5.568 104 HB2 LEU 12 HB2 LEU 12 7.469 17.523 -5.075 105 HB3 LEU 12 HB3 LEU 12 6.330 18.472 -4.122 106 HG LEU 12 HG LEU 12 6.515 15.467 -4.287 107 HD11 LEU 12 HD11 LEU 12 8.036 17.047 -2.802 108 HD12 LEU 12 HD12 LEU 12 7.419 15.508 -2.201 109 HD13 LEU 12 HD13 LEU 12 6.614 17.014 -1.758 110 HD21 LEU 12 HD21 LEU 12 4.291 15.540 -3.970 111 HD22 LEU 12 HD22 LEU 12 4.310 17.233 -3.476 112 HD23 LEU 12 HD23 LEU 12 4.729 15.971 -2.317 113 H ASN 13 H ASN 13 7.642 17.533 -7.280 114 HA ASN 13 HA ASN 13 8.128 20.155 -7.962 115 HB2 ASN 13 HB2 ASN 13 8.671 17.768 -9.740 116 HB3 ASN 13 HB3 ASN 13 9.516 19.313 -9.763 117 HD21 ASN 13 HD21 ASN 13 9.711 16.210 -8.756 118 HD22 ASN 13 HD22 ASN 13 10.836 16.390 -7.458 119 H PHE 14 H PHE 14 5.941 17.861 -9.474 120 HA PHE 14 HA PHE 14 5.389 19.329 -11.813 121 HB2 PHE 14 HB2 PHE 14 4.788 16.878 -11.201 122 HB3 PHE 14 HB3 PHE 14 3.347 17.579 -10.472 123 HD1 PHE 14 HD1 PHE 14 1.461 17.795 -11.764 124 HD2 PHE 14 HD2 PHE 14 5.266 17.671 -13.667 125 HE1 PHE 14 HE1 PHE 14 0.358 17.818 -13.963 126 HE2 PHE 14 HE2 PHE 14 4.170 17.695 -15.869 127 HZ PHE 14 HZ PHE 14 1.712 17.769 -16.020 128 H LEU 15 H LEU 15 3.161 18.876 -9.069 129 HA LEU 15 HA LEU 15 1.393 20.893 -9.679 130 HB2 LEU 15 HB2 LEU 15 2.195 19.519 -7.178 131 HB3 LEU 15 HB3 LEU 15 1.242 20.994 -7.020 132 HG LEU 15 HG LEU 15 0.225 18.924 -8.883 133 HD11 LEU 15 HD11 LEU 15 1.093 17.913 -6.593 134 HD12 LEU 15 HD12 LEU 15 -0.419 17.389 -7.333 135 HD13 LEU 15 HD13 LEU 15 -0.442 18.560 -6.015 136 HD21 LEU 15 HD21 LEU 15 -1.851 19.794 -8.308 137 HD22 LEU 15 HD22 LEU 15 -0.801 21.210 -8.272 138 HD23 LEU 15 HD23 LEU 15 -1.273 20.423 -6.765 139 H LYS 16 H LYS 16 4.521 21.121 -8.134 140 HA LYS 16 HA LYS 16 4.312 23.716 -7.085 141 HB2 LYS 16 HB2 LYS 16 6.506 21.857 -7.769 142 HB3 LYS 16 HB3 LYS 16 6.944 23.559 -7.708 143 HG2 LYS 16 HG2 LYS 16 5.452 23.195 -5.416 144 HG3 LYS 16 HG3 LYS 16 6.384 21.703 -5.552 145 HD2 LYS 16 HD2 LYS 16 8.423 23.151 -5.900 146 HD3 LYS 16 HD3 LYS 16 7.420 24.530 -5.445 147 HE2 LYS 16 HE2 LYS 16 7.439 23.979 -3.266 148 HE3 LYS 16 HE3 LYS 16 7.279 22.255 -3.599 149 HZ1 LYS 16 HZ1 LYS 16 9.581 23.673 -2.876 150 HZ2 LYS 16 HZ2 LYS 16 9.816 23.078 -4.442 151 HZ3 LYS 16 HZ3 LYS 16 9.425 22.016 -3.184 152 H LYS 17 H LYS 17 5.601 22.602 -10.211 153 HA LYS 17 HA LYS 17 5.974 25.285 -11.172 154 HB2 LYS 17 HB2 LYS 17 6.702 22.626 -12.001 155 HB3 LYS 17 HB3 LYS 17 5.983 23.494 -13.351 156 HG2 LYS 17 HG2 LYS 17 7.866 24.605 -13.673 157 HG3 LYS 17 HG3 LYS 17 7.815 25.225 -12.021 158 HD2 LYS 17 HD2 LYS 17 8.725 22.425 -12.427 159 HD3 LYS 17 HD3 LYS 17 9.820 23.725 -12.904 160 HE2 LYS 17 HE2 LYS 17 9.276 24.689 -10.554 161 HE3 LYS 17 HE3 LYS 17 8.747 23.046 -10.194 162 HZ1 LYS 17 HZ1 LYS 17 11.121 22.590 -11.323 163 HZ2 LYS 17 HZ2 LYS 17 10.895 22.774 -9.657 164 HZ3 LYS 17 HZ3 LYS 17 11.424 24.083 -10.588 165 H ILE 18 H ILE 18 3.406 23.002 -11.137 166 HA ILE 18 HA ILE 18 1.981 23.907 -13.416 167 HB ILE 18 HB ILE 18 1.144 22.385 -10.960 168 HG12 ILE 18 HG12 ILE 18 2.532 21.313 -12.781 169 HG13 ILE 18 HG13 ILE 18 1.000 20.516 -12.439 170 HG21 ILE 18 HG21 ILE 18 -0.873 23.390 -11.372 171 HG22 ILE 18 HG22 ILE 18 -0.548 23.587 -13.094 172 HG23 ILE 18 HG23 ILE 18 -0.984 22.002 -12.454 173 HD11 ILE 18 HD11 ILE 18 1.903 21.167 -14.911 174 HD12 ILE 18 HD12 ILE 18 0.210 20.903 -14.492 175 HD13 ILE 18 HD13 ILE 18 0.861 22.541 -14.544 176 H SER 19 H SER 19 1.358 24.469 -9.946 177 HA SER 19 HA SER 19 -0.588 26.472 -10.388 178 HB2 SER 19 HB2 SER 19 0.483 25.097 -8.163 179 HB3 SER 19 HB3 SER 19 0.706 26.817 -7.842 180 HG SER 19 HG SER 19 -1.691 25.411 -8.351 181 H GLN 20 H GLN 20 2.780 26.521 -10.659 182 HA GLN 20 HA GLN 20 3.068 29.345 -10.046 183 HB2 GLN 20 HB2 GLN 20 4.916 27.109 -10.720 184 HB3 GLN 20 HB3 GLN 20 5.447 28.746 -11.082 185 HG2 GLN 20 HG2 GLN 20 4.349 28.606 -8.429 186 HG3 GLN 20 HG3 GLN 20 5.617 27.400 -8.646 187 HE21 GLN 20 HE21 GLN 20 4.903 30.671 -8.136 188 HE22 GLN 20 HE22 GLN 20 6.512 31.289 -8.237 189 H ARG 21 H ARG 21 3.358 27.229 -12.889 190 HA ARG 21 HA ARG 21 3.721 29.439 -14.686 191 HB2 ARG 21 HB2 ARG 21 4.666 27.153 -15.070 192 HB3 ARG 21 HB3 ARG 21 3.029 26.573 -15.349 193 HG2 ARG 21 HG2 ARG 21 2.969 28.467 -17.142 194 HG3 ARG 21 HG3 ARG 21 4.727 28.344 -17.040 195 HD2 ARG 21 HD2 ARG 21 4.572 25.941 -17.521 196 HD3 ARG 21 HD3 ARG 21 2.820 26.088 -17.649 197 HE ARG 21 HE ARG 21 3.930 27.912 -19.425 198 HH11 ARG 21 HH11 ARG 21 3.977 24.102 -20.654 199 HH12 ARG 21 HH12 ARG 21 3.830 24.462 -18.965 200 HH21 ARG 21 HH21 ARG 21 4.145 25.802 -22.180 201 HH22 ARG 21 HH22 ARG 21 4.124 27.450 -21.651 202 H TYR 22 H TYR 22 1.081 27.173 -13.973 203 HA TYR 22 HA TYR 22 -0.769 28.040 -15.841 204 HB2 TYR 22 HB2 TYR 22 -1.109 26.051 -14.457 205 HB3 TYR 22 HB3 TYR 22 -1.286 27.060 -13.026 206 HD1 TYR 22 HD1 TYR 22 -3.351 28.142 -12.526 207 HD2 TYR 22 HD2 TYR 22 -2.858 26.090 -16.220 208 HE1 TYR 22 HE1 TYR 22 -5.772 28.301 -12.932 209 HE2 TYR 22 HE2 TYR 22 -5.277 26.244 -16.636 210 HH TYR 22 HH TYR 22 -7.479 27.541 -14.210 211 H GLN 23 H GLN 23 -0.317 29.201 -12.507 212 HA GLN 23 HA GLN 23 -2.299 31.229 -12.704 213 HB2 GLN 23 HB2 GLN 23 -0.980 30.088 -10.634 214 HB3 GLN 23 HB3 GLN 23 -0.099 31.604 -10.765 215 HG2 GLN 23 HG2 GLN 23 -2.758 32.355 -10.917 216 HG3 GLN 23 HG3 GLN 23 -2.734 31.079 -9.702 217 HE21 GLN 23 HE21 GLN 23 -1.435 31.351 -7.846 218 HE22 GLN 23 HE22 GLN 23 -0.947 32.923 -7.321 219 H LYS 24 H LYS 24 0.647 30.968 -14.172 220 HA LYS 24 HA LYS 24 1.038 33.887 -14.254 221 HB2 LYS 24 HB2 LYS 24 2.911 31.596 -14.257 222 HB3 LYS 24 HB3 LYS 24 3.319 32.920 -15.340 223 HG2 LYS 24 HG2 LYS 24 2.562 33.888 -12.724 224 HG3 LYS 24 HG3 LYS 24 3.899 32.738 -12.637 225 HD2 LYS 24 HD2 LYS 24 4.747 34.207 -14.700 226 HD3 LYS 24 HD3 LYS 24 3.777 35.429 -13.874 227 HE2 LYS 24 HE2 LYS 24 5.269 35.645 -12.223 228 HE3 LYS 24 HE3 LYS 24 5.463 33.900 -12.058 229 HZ1 LYS 24 HZ1 LYS 24 7.540 34.714 -12.729 230 HZ2 LYS 24 HZ2 LYS 24 6.875 35.724 -13.911 231 HZ3 LYS 24 HZ3 LYS 24 6.870 34.047 -14.132 232 H PHE 25 H PHE 25 -0.266 31.397 -15.967 233 HA PHE 25 HA PHE 25 0.066 32.856 -18.494 234 HB2 PHE 25 HB2 PHE 25 0.928 30.155 -17.916 235 HB3 PHE 25 HB3 PHE 25 -0.269 30.166 -19.207 236 HD1 PHE 25 HD1 PHE 25 0.138 31.656 -21.208 237 HD2 PHE 25 HD2 PHE 25 3.140 30.775 -18.323 238 HE1 PHE 25 HE1 PHE 25 1.875 32.329 -22.816 239 HE2 PHE 25 HE2 PHE 25 4.882 31.447 -19.925 240 HZ PHE 25 HZ PHE 25 4.251 32.226 -22.175 241 H ALA 26 H ALA 26 -2.009 32.013 -16.195 242 HA ALA 26 HA ALA 26 -4.227 31.457 -18.051 243 HB1 ALA 26 HB1 ALA 26 -4.006 29.710 -16.426 244 HB2 ALA 26 HB2 ALA 26 -3.970 30.878 -15.105 245 HB3 ALA 26 HB3 ALA 26 -5.448 30.650 -16.039 246 H LEU 27 H LEU 27 -4.279 32.763 -14.762 247 HA LEU 27 HA LEU 27 -5.391 34.555 -13.888 248 HB2 LEU 27 HB2 LEU 27 -4.263 35.894 -16.342 249 HB3 LEU 27 HB3 LEU 27 -4.822 36.706 -14.881 250 HG LEU 27 HG LEU 27 -2.515 36.741 -14.662 251 HD11 LEU 27 HD11 LEU 27 -2.143 35.625 -12.708 252 HD12 LEU 27 HD12 LEU 27 -2.881 34.132 -13.287 253 HD13 LEU 27 HD13 LEU 27 -3.899 35.487 -12.799 254 HD21 LEU 27 HD21 LEU 27 -2.034 33.870 -15.189 255 HD22 LEU 27 HD22 LEU 27 -1.036 35.276 -15.558 256 HD23 LEU 27 HD23 LEU 27 -2.420 34.884 -16.580 257 HA PRO 28 HA PRO 28 -8.882 34.087 -17.010 258 HB2 PRO 28 HB2 PRO 28 -10.519 32.633 -15.406 259 HB3 PRO 28 HB3 PRO 28 -9.320 31.896 -16.475 260 HG2 PRO 28 HG2 PRO 28 -9.155 32.445 -13.536 261 HG3 PRO 28 HG3 PRO 28 -8.648 31.003 -14.435 262 HD2 PRO 28 HD2 PRO 28 -6.899 32.904 -13.624 263 HD3 PRO 28 HD3 PRO 28 -6.670 31.969 -15.116 264 H GLN 29 H GLN 29 -8.845 34.699 -13.526 265 HA GLN 29 HA GLN 29 -10.947 36.725 -13.932 266 HB2 GLN 29 HB2 GLN 29 -11.638 36.352 -11.611 267 HB3 GLN 29 HB3 GLN 29 -11.755 34.873 -12.556 268 HG2 GLN 29 HG2 GLN 29 -9.184 34.886 -11.432 269 HG3 GLN 29 HG3 GLN 29 -10.292 35.380 -10.153 270 HE21 GLN 29 HE21 GLN 29 -12.439 33.996 -10.320 271 HE22 GLN 29 HE22 GLN 29 -12.164 32.291 -10.345 272 H TYR 30 H TYR 30 -7.760 36.078 -12.918 273 HA TYR 30 HA TYR 30 -7.303 38.092 -11.040 274 HB2 TYR 30 HB2 TYR 30 -5.570 36.538 -11.276 275 HB3 TYR 30 HB3 TYR 30 -5.542 36.690 -13.029 276 HD1 TYR 30 HD1 TYR 30 -4.468 38.200 -9.861 277 HD2 TYR 30 HD2 TYR 30 -4.313 38.472 -14.104 278 HE1 TYR 30 HE1 TYR 30 -2.620 39.814 -9.684 279 HE2 TYR 30 HE2 TYR 30 -2.465 40.086 -13.939 280 HH TYR 30 HH TYR 30 -1.064 41.149 -12.585 281 H LEU 31 H LEU 31 -6.645 38.192 -14.547 282 HA LEU 31 HA LEU 31 -6.326 41.068 -14.456 283 HB2 LEU 31 HB2 LEU 31 -6.067 40.739 -16.977 284 HB3 LEU 31 HB3 LEU 31 -4.830 40.061 -15.921 285 HG LEU 31 HG LEU 31 -5.814 37.838 -16.191 286 HD11 LEU 31 HD11 LEU 31 -7.533 37.582 -18.033 287 HD12 LEU 31 HD12 LEU 31 -7.805 39.318 -17.886 288 HD13 LEU 31 HD13 LEU 31 -8.108 38.259 -16.509 289 HD21 LEU 31 HD21 LEU 31 -5.484 38.972 -18.943 290 HD22 LEU 31 HD22 LEU 31 -4.944 37.419 -18.305 291 HD23 LEU 31 HD23 LEU 31 -4.124 38.904 -17.821 292 H LYS 32 H LYS 32 -8.957 39.263 -14.282 293 HA LYS 32 HA LYS 32 -10.546 40.823 -16.195 294 HB2 LYS 32 HB2 LYS 32 -10.655 38.247 -16.037 295 HB3 LYS 32 HB3 LYS 32 -11.571 38.515 -14.560 296 HG2 LYS 32 HG2 LYS 32 -13.080 40.005 -16.009 297 HG3 LYS 32 HG3 LYS 32 -12.306 39.205 -17.379 298 HD2 LYS 32 HD2 LYS 32 -13.369 37.503 -15.185 299 HD3 LYS 32 HD3 LYS 32 -14.527 38.265 -16.277 300 HE2 LYS 32 HE2 LYS 32 -12.334 37.107 -17.747 301 HE3 LYS 32 HE3 LYS 32 -13.089 35.906 -16.702 302 HZ1 LYS 32 HZ1 LYS 32 -14.797 37.640 -18.344 303 HZ2 LYS 32 HZ2 LYS 32 -15.076 36.063 -17.800 304 HZ3 LYS 32 HZ3 LYS 32 -14.006 36.338 -19.081 305 H THR 33 H THR 33 -10.191 40.080 -12.781 306 HA THR 33 HA THR 33 -12.400 41.874 -12.103 307 HB THR 33 HB THR 33 -12.208 39.657 -10.960 308 HG1 THR 33 HG1 THR 33 -13.035 40.545 -9.187 309 HG21 THR 33 HG21 THR 33 -9.581 40.097 -10.785 310 HG22 THR 33 HG22 THR 33 -10.443 39.062 -9.646 311 HG23 THR 33 HG23 THR 33 -10.064 40.728 -9.211 312 H VAL 34 H VAL 34 -8.911 41.582 -11.822 313 HA VAL 34 HA VAL 34 -8.561 43.826 -10.098 314 HB VAL 34 HB VAL 34 -6.603 42.429 -11.925 315 HG11 VAL 34 HG11 VAL 34 -4.872 43.553 -10.528 316 HG12 VAL 34 HG12 VAL 34 -5.801 44.656 -11.544 317 HG13 VAL 34 HG13 VAL 34 -6.151 44.538 -9.819 318 HG21 VAL 34 HG21 VAL 34 -7.786 41.498 -9.638 319 HG22 VAL 34 HG22 VAL 34 -6.236 40.953 -10.280 320 HG23 VAL 34 HG23 VAL 34 -6.285 42.197 -9.030 321 H TYR 35 H TYR 35 -8.759 43.385 -13.557 322 HA TYR 35 HA TYR 35 -7.707 45.938 -14.265 323 HB2 TYR 35 HB2 TYR 35 -8.118 43.716 -15.682 324 HB3 TYR 35 HB3 TYR 35 -9.622 44.544 -16.070 325 HD1 TYR 35 HD1 TYR 35 -9.600 45.710 -18.050 326 HD2 TYR 35 HD2 TYR 35 -6.000 45.453 -15.798 327 HE1 TYR 35 HE1 TYR 35 -8.436 47.027 -19.771 328 HE2 TYR 35 HE2 TYR 35 -4.826 46.770 -17.511 329 HH TYR 35 HH TYR 35 -6.452 48.461 -19.963 330 H GLN 36 H GLN 36 -10.774 44.806 -13.184 331 HA GLN 36 HA GLN 36 -12.115 47.257 -14.062 332 HB2 GLN 36 HB2 GLN 36 -13.018 44.727 -14.127 333 HB3 GLN 36 HB3 GLN 36 -13.594 45.191 -12.531 334 HG2 GLN 36 HG2 GLN 36 -14.140 47.150 -14.637 335 HG3 GLN 36 HG3 GLN 36 -14.937 45.592 -14.853 336 HE21 GLN 36 HE21 GLN 36 -15.302 48.575 -13.586 337 HE22 GLN 36 HE22 GLN 36 -16.472 48.240 -12.359 338 H HIS 37 H HIS 37 -11.275 45.451 -11.148 339 HA HIS 37 HA HIS 37 -12.507 47.325 -9.365 340 HB2 HIS 37 HB2 HIS 37 -10.728 44.937 -9.043 341 HB3 HIS 37 HB3 HIS 37 -10.959 46.031 -7.682 342 HD1 HIS 37 HD1 HIS 37 -13.035 45.718 -6.327 343 HD2 HIS 37 HD2 HIS 37 -13.212 43.733 -9.973 344 HE1 HIS 37 HE1 HIS 37 -15.137 44.339 -6.242 345 H GLN 38 H GLN 38 -9.074 46.422 -9.739 346 HA GLN 38 HA GLN 38 -8.028 48.598 -8.356 347 HB2 GLN 38 HB2 GLN 38 -7.006 46.387 -9.724 348 HB3 GLN 38 HB3 GLN 38 -6.296 47.778 -10.531 349 HG2 GLN 38 HG2 GLN 38 -6.255 47.717 -7.566 350 HG3 GLN 38 HG3 GLN 38 -5.163 46.642 -8.438 351 HE21 GLN 38 HE21 GLN 38 -3.688 47.608 -9.963 352 HE22 GLN 38 HE22 GLN 38 -3.122 49.218 -9.701 353 H LYS 39 H LYS 39 -8.044 50.692 -8.789 354 HA LYS 39 HA LYS 39 -8.391 51.555 -11.580 355 HB2 LYS 39 HB2 LYS 39 -9.931 52.194 -9.439 356 HB3 LYS 39 HB3 LYS 39 -8.779 53.522 -9.410 357 HG2 LYS 39 HG2 LYS 39 -9.449 53.451 -12.043 358 HG3 LYS 39 HG3 LYS 39 -10.961 52.959 -11.276 359 HD2 LYS 39 HD2 LYS 39 -9.472 55.316 -10.206 360 HD3 LYS 39 HD3 LYS 39 -10.434 55.494 -11.675 361 HE2 LYS 39 HE2 LYS 39 -12.370 54.528 -10.419 362 HE3 LYS 39 HE3 LYS 39 -11.385 54.597 -8.959 363 HZ1 LYS 39 HZ1 LYS 39 -11.146 57.095 -9.897 364 HZ2 LYS 39 HZ2 LYS 39 -12.292 56.618 -8.749 365 HZ3 LYS 39 HZ3 LYS 39 -12.725 56.726 -10.380 Start of MODEL 2 1 H1 LYS 1 H LYS 1 8.655 0.709 1.973 2 HA LYS 1 HA LYS 1 7.199 -0.774 0.774 3 HB2 LYS 1 HB2 LYS 1 5.489 1.522 1.741 4 HB3 LYS 1 HB3 LYS 1 5.003 -0.160 1.572 5 HG2 LYS 1 HG2 LYS 1 7.194 -0.278 3.249 6 HG3 LYS 1 HG3 LYS 1 6.339 1.177 3.766 7 HD2 LYS 1 HD2 LYS 1 4.259 -0.503 3.506 8 HD3 LYS 1 HD3 LYS 1 5.527 -1.662 3.912 9 HE2 LYS 1 HE2 LYS 1 5.995 -0.566 5.960 10 HE3 LYS 1 HE3 LYS 1 5.032 0.840 5.508 11 HZ1 LYS 1 HZ1 LYS 1 4.209 -1.480 6.857 12 HZ2 LYS 1 HZ2 LYS 1 3.373 -1.397 5.390 13 HZ3 LYS 1 HZ3 LYS 1 3.300 -0.105 6.479 14 H THR 2 H THR 2 6.928 -1.104 -1.326 15 HA THR 2 HA THR 2 6.337 -0.827 -3.507 16 HB THR 2 HB THR 2 4.561 1.473 -3.134 17 HG1 THR 2 HG1 THR 2 3.416 0.730 -1.503 18 HG21 THR 2 HG21 THR 2 4.295 -1.342 -4.172 19 HG22 THR 2 HG22 THR 2 4.320 0.162 -5.093 20 HG23 THR 2 HG23 THR 2 2.932 -0.229 -4.078 21 H LYS 3 H LYS 3 6.148 0.901 -5.307 22 HA LYS 3 HA LYS 3 8.374 2.761 -4.921 23 HB2 LYS 3 HB2 LYS 3 7.064 1.569 -7.353 24 HB3 LYS 3 HB3 LYS 3 8.136 2.957 -7.483 25 HG2 LYS 3 HG2 LYS 3 9.867 1.585 -7.535 26 HG3 LYS 3 HG3 LYS 3 9.470 1.045 -5.901 27 HD2 LYS 3 HD2 LYS 3 8.423 -0.849 -6.634 28 HD3 LYS 3 HD3 LYS 3 7.924 -0.113 -8.159 29 HE2 LYS 3 HE2 LYS 3 9.727 -0.888 -9.214 30 HE3 LYS 3 HE3 LYS 3 10.804 -0.286 -7.955 31 HZ1 LYS 3 HZ1 LYS 3 10.278 -2.901 -8.490 32 HZ2 LYS 3 HZ2 LYS 3 9.321 -2.592 -7.131 33 HZ3 LYS 3 HZ3 LYS 3 10.987 -2.306 -7.074 34 H LEU 4 H LEU 4 5.880 3.437 -3.754 35 HA LEU 4 HA LEU 4 4.672 5.430 -5.490 36 HB2 LEU 4 HB2 LEU 4 3.700 3.851 -3.471 37 HB3 LEU 4 HB3 LEU 4 3.875 5.415 -2.677 38 HG LEU 4 HG LEU 4 1.612 5.075 -3.541 39 HD11 LEU 4 HD11 LEU 4 1.442 7.165 -4.841 40 HD12 LEU 4 HD12 LEU 4 3.199 7.198 -4.976 41 HD13 LEU 4 HD13 LEU 4 2.435 7.337 -3.393 42 HD21 LEU 4 HD21 LEU 4 2.064 5.433 -6.326 43 HD22 LEU 4 HD22 LEU 4 1.248 4.104 -5.501 44 HD23 LEU 4 HD23 LEU 4 2.988 4.032 -5.786 45 H THR 5 H THR 5 6.741 5.257 -2.657 46 HA THR 5 HA THR 5 6.699 7.870 -1.777 47 HB THR 5 HB THR 5 9.219 6.215 -1.951 48 HG1 THR 5 HG1 THR 5 7.136 6.132 -0.003 49 HG21 THR 5 HG21 THR 5 8.305 8.253 0.082 50 HG22 THR 5 HG22 THR 5 9.469 8.558 -1.207 51 HG23 THR 5 HG23 THR 5 9.849 7.402 0.070 52 H GLU 6 H GLU 6 8.924 6.484 -4.198 53 HA GLU 6 HA GLU 6 10.185 8.906 -4.859 54 HB2 GLU 6 HB2 GLU 6 10.105 6.180 -5.908 55 HB3 GLU 6 HB3 GLU 6 10.318 7.390 -7.166 56 HG2 GLU 6 HG2 GLU 6 12.311 8.188 -6.208 57 HG3 GLU 6 HG3 GLU 6 12.015 7.336 -4.693 58 H GLU 7 H GLU 7 7.525 7.178 -6.475 59 HA GLU 7 HA GLU 7 7.104 8.994 -8.548 60 HB2 GLU 7 HB2 GLU 7 5.981 6.624 -7.805 61 HB3 GLU 7 HB3 GLU 7 4.676 7.745 -7.442 62 HG2 GLU 7 HG2 GLU 7 5.191 8.639 -9.849 63 HG3 GLU 7 HG3 GLU 7 5.897 7.038 -10.060 64 H GLU 8 H GLU 8 6.367 9.231 -5.196 65 HA GLU 8 HA GLU 8 4.273 11.151 -5.383 66 HB2 GLU 8 HB2 GLU 8 4.793 9.687 -3.385 67 HB3 GLU 8 HB3 GLU 8 6.150 10.754 -3.053 68 HG2 GLU 8 HG2 GLU 8 4.830 12.443 -2.324 69 HG3 GLU 8 HG3 GLU 8 3.500 12.019 -3.400 70 H LYS 9 H LYS 9 7.656 11.530 -4.309 71 HA LYS 9 HA LYS 9 7.719 14.293 -4.223 72 HB2 LYS 9 HB2 LYS 9 10.035 14.127 -4.068 73 HB3 LYS 9 HB3 LYS 9 9.498 12.547 -3.513 74 HG2 LYS 9 HG2 LYS 9 11.109 11.861 -4.937 75 HG3 LYS 9 HG3 LYS 9 9.788 11.988 -6.101 76 HD2 LYS 9 HD2 LYS 9 10.657 13.848 -7.089 77 HD3 LYS 9 HD3 LYS 9 11.395 14.430 -5.594 78 HE2 LYS 9 HE2 LYS 9 12.529 11.921 -6.583 79 HE3 LYS 9 HE3 LYS 9 12.733 13.279 -7.689 80 HZ1 LYS 9 HZ1 LYS 9 13.360 13.668 -4.850 81 HZ2 LYS 9 HZ2 LYS 9 14.037 14.407 -6.212 82 HZ3 LYS 9 HZ3 LYS 9 14.464 12.820 -5.813 83 H ASN 10 H ASN 10 7.864 12.163 -6.971 84 HA ASN 10 HA ASN 10 8.892 14.049 -8.834 85 HB2 ASN 10 HB2 ASN 10 7.428 11.434 -9.102 86 HB3 ASN 10 HB3 ASN 10 7.807 12.413 -10.516 87 HD21 ASN 10 HD21 ASN 10 8.810 9.854 -8.848 88 HD22 ASN 10 HD22 ASN 10 10.511 9.924 -9.143 89 H ARG 11 H ARG 11 5.688 13.249 -7.674 90 HA ARG 11 HA ARG 11 4.296 14.727 -9.695 91 HB2 ARG 11 HB2 ARG 11 3.451 12.787 -8.157 92 HB3 ARG 11 HB3 ARG 11 3.112 14.084 -7.018 93 HG2 ARG 11 HG2 ARG 11 1.933 15.121 -9.167 94 HG3 ARG 11 HG3 ARG 11 1.796 13.410 -9.578 95 HD2 ARG 11 HD2 ARG 11 -0.175 14.189 -8.366 96 HD3 ARG 11 HD3 ARG 11 0.706 12.975 -7.440 97 HE ARG 11 HE ARG 11 1.699 15.334 -6.529 98 HH11 ARG 11 HH11 ARG 11 -2.144 14.883 -5.501 99 HH12 ARG 11 HH12 ARG 11 -1.505 14.013 -6.856 100 HH21 ARG 11 HH21 ARG 11 -0.792 16.289 -4.300 101 HH22 ARG 11 HH22 ARG 11 0.870 16.485 -4.742 102 H LEU 12 H LEU 12 5.371 15.363 -6.396 103 HA LEU 12 HA LEU 12 4.067 17.721 -5.843 104 HB2 LEU 12 HB2 LEU 12 6.969 17.308 -5.194 105 HB3 LEU 12 HB3 LEU 12 5.756 18.189 -4.268 106 HG LEU 12 HG LEU 12 6.015 15.201 -4.565 107 HD11 LEU 12 HD11 LEU 12 7.566 16.142 -2.981 108 HD12 LEU 12 HD12 LEU 12 6.280 15.306 -2.111 109 HD13 LEU 12 HD13 LEU 12 6.275 17.067 -2.212 110 HD21 LEU 12 HD21 LEU 12 4.103 15.475 -2.727 111 HD22 LEU 12 HD22 LEU 12 3.751 15.298 -4.446 112 HD23 LEU 12 HD23 LEU 12 3.747 16.899 -3.705 113 H ASN 13 H ASN 13 7.274 17.426 -7.381 114 HA ASN 13 HA ASN 13 7.756 20.082 -7.908 115 HB2 ASN 13 HB2 ASN 13 8.432 17.793 -9.768 116 HB3 ASN 13 HB3 ASN 13 9.253 19.348 -9.670 117 HD21 ASN 13 HD21 ASN 13 9.451 16.205 -8.814 118 HD22 ASN 13 HD22 ASN 13 10.498 16.334 -7.445 119 H PHE 14 H PHE 14 5.694 17.841 -9.656 120 HA PHE 14 HA PHE 14 5.250 19.419 -11.945 121 HB2 PHE 14 HB2 PHE 14 4.649 16.933 -11.486 122 HB3 PHE 14 HB3 PHE 14 3.159 17.584 -10.812 123 HD1 PHE 14 HD1 PHE 14 1.377 18.155 -12.199 124 HD2 PHE 14 HD2 PHE 14 5.237 17.536 -13.883 125 HE1 PHE 14 HE1 PHE 14 0.407 18.272 -14.457 126 HE2 PHE 14 HE2 PHE 14 4.273 17.653 -16.144 127 HZ PHE 14 HZ PHE 14 1.855 18.023 -16.433 128 H LEU 15 H LEU 15 2.880 18.804 -9.355 129 HA LEU 15 HA LEU 15 1.120 20.828 -9.963 130 HB2 LEU 15 HB2 LEU 15 1.790 19.310 -7.516 131 HB3 LEU 15 HB3 LEU 15 0.858 20.790 -7.295 132 HG LEU 15 HG LEU 15 -0.124 18.878 -9.336 133 HD11 LEU 15 HD11 LEU 15 -1.365 17.724 -7.386 134 HD12 LEU 15 HD12 LEU 15 -0.018 18.298 -6.403 135 HD13 LEU 15 HD13 LEU 15 0.282 17.223 -7.768 136 HD21 LEU 15 HD21 LEU 15 -1.285 20.773 -7.322 137 HD22 LEU 15 HD22 LEU 15 -2.283 19.560 -8.125 138 HD23 LEU 15 HD23 LEU 15 -1.443 20.785 -9.078 139 H LYS 16 H LYS 16 4.154 21.015 -8.235 140 HA LYS 16 HA LYS 16 3.850 23.552 -7.074 141 HB2 LYS 16 HB2 LYS 16 6.097 21.744 -7.708 142 HB3 LYS 16 HB3 LYS 16 6.519 23.446 -7.569 143 HG2 LYS 16 HG2 LYS 16 5.530 23.510 -5.335 144 HG3 LYS 16 HG3 LYS 16 5.111 21.801 -5.475 145 HD2 LYS 16 HD2 LYS 16 7.437 21.190 -5.601 146 HD3 LYS 16 HD3 LYS 16 7.920 22.888 -5.649 147 HE2 LYS 16 HE2 LYS 16 8.287 22.248 -3.431 148 HE3 LYS 16 HE3 LYS 16 6.740 23.093 -3.387 149 HZ1 LYS 16 HZ1 LYS 16 6.093 21.270 -2.279 150 HZ2 LYS 16 HZ2 LYS 16 7.336 20.302 -2.893 151 HZ3 LYS 16 HZ3 LYS 16 5.947 20.582 -3.817 152 H LYS 17 H LYS 17 5.322 22.607 -10.174 153 HA LYS 17 HA LYS 17 5.713 25.338 -10.980 154 HB2 LYS 17 HB2 LYS 17 6.346 22.670 -12.039 155 HB3 LYS 17 HB3 LYS 17 5.975 23.866 -13.274 156 HG2 LYS 17 HG2 LYS 17 7.669 25.291 -11.753 157 HG3 LYS 17 HG3 LYS 17 8.289 23.663 -11.464 158 HD2 LYS 17 HD2 LYS 17 7.777 23.863 -14.230 159 HD3 LYS 17 HD3 LYS 17 8.619 25.341 -13.760 160 HE2 LYS 17 HE2 LYS 17 10.212 23.726 -12.499 161 HE3 LYS 17 HE3 LYS 17 9.526 22.495 -13.559 162 HZ1 LYS 17 HZ1 LYS 17 11.600 23.563 -14.392 163 HZ2 LYS 17 HZ2 LYS 17 10.741 25.011 -14.552 164 HZ3 LYS 17 HZ3 LYS 17 10.292 23.658 -15.462 165 H ILE 18 H ILE 18 3.177 23.031 -11.198 166 HA ILE 18 HA ILE 18 1.870 24.030 -13.508 167 HB ILE 18 HB ILE 18 0.920 22.380 -11.179 168 HG12 ILE 18 HG12 ILE 18 2.418 21.413 -12.971 169 HG13 ILE 18 HG13 ILE 18 0.880 20.585 -12.755 170 HG21 ILE 18 HG21 ILE 18 -0.670 23.732 -13.281 171 HG22 ILE 18 HG22 ILE 18 -1.097 22.067 -12.889 172 HG23 ILE 18 HG23 ILE 18 -1.107 23.300 -11.629 173 HD11 ILE 18 HD11 ILE 18 1.931 21.429 -15.134 174 HD12 ILE 18 HD12 ILE 18 0.240 21.020 -14.840 175 HD13 ILE 18 HD13 ILE 18 0.770 22.700 -14.750 176 H SER 19 H SER 19 1.051 24.417 -10.054 177 HA SER 19 HA SER 19 -0.896 26.417 -10.508 178 HB2 SER 19 HB2 SER 19 0.497 25.292 -8.130 179 HB3 SER 19 HB3 SER 19 -0.280 26.864 -7.943 180 HG SER 19 HG SER 19 -1.501 24.701 -7.643 181 H GLN 20 H GLN 20 2.481 26.516 -10.587 182 HA GLN 20 HA GLN 20 2.680 29.320 -9.845 183 HB2 GLN 20 HB2 GLN 20 4.610 27.132 -10.439 184 HB3 GLN 20 HB3 GLN 20 5.141 28.786 -10.714 185 HG2 GLN 20 HG2 GLN 20 3.849 28.565 -8.159 186 HG3 GLN 20 HG3 GLN 20 5.137 27.370 -8.308 187 HE21 GLN 20 HE21 GLN 20 4.636 30.160 -6.979 188 HE22 GLN 20 HE22 GLN 20 6.140 30.967 -7.246 189 H ARG 21 H ARG 21 3.194 27.297 -12.721 190 HA ARG 21 HA ARG 21 3.684 29.558 -14.420 191 HB2 ARG 21 HB2 ARG 21 4.718 27.416 -14.926 192 HB3 ARG 21 HB3 ARG 21 3.138 26.656 -15.066 193 HG2 ARG 21 HG2 ARG 21 3.099 27.143 -17.221 194 HG3 ARG 21 HG3 ARG 21 3.185 28.863 -16.836 195 HD2 ARG 21 HD2 ARG 21 5.655 27.169 -16.850 196 HD3 ARG 21 HD3 ARG 21 5.001 27.820 -18.353 197 HE ARG 21 HE ARG 21 5.222 29.901 -16.487 198 HH11 ARG 21 HH11 ARG 21 8.548 28.911 -18.483 199 HH12 ARG 21 HH12 ARG 21 7.236 27.784 -18.379 200 HH21 ARG 21 HH21 ARG 21 8.379 30.964 -17.481 201 HH22 ARG 21 HH22 ARG 21 6.942 31.394 -16.618 202 H TYR 22 H TYR 22 0.991 27.289 -13.959 203 HA TYR 22 HA TYR 22 -0.720 28.221 -15.926 204 HB2 TYR 22 HB2 TYR 22 -1.162 26.196 -14.622 205 HB3 TYR 22 HB3 TYR 22 -1.442 27.168 -13.182 206 HD1 TYR 22 HD1 TYR 22 -3.639 27.529 -12.604 207 HD2 TYR 22 HD2 TYR 22 -2.671 27.003 -16.714 208 HE1 TYR 22 HE1 TYR 22 -6.024 27.705 -13.182 209 HE2 TYR 22 HE2 TYR 22 -5.053 27.179 -17.303 210 HH TYR 22 HH TYR 22 -7.114 27.508 -16.559 211 H GLN 23 H GLN 23 -0.498 29.283 -12.536 212 HA GLN 23 HA GLN 23 -2.452 31.329 -12.812 213 HB2 GLN 23 HB2 GLN 23 -1.312 30.120 -10.687 214 HB3 GLN 23 HB3 GLN 23 -0.382 31.613 -10.714 215 HG2 GLN 23 HG2 GLN 23 -2.997 32.452 -11.030 216 HG3 GLN 23 HG3 GLN 23 -3.105 31.137 -9.862 217 HE21 GLN 23 HE21 GLN 23 -1.571 34.216 -10.556 218 HE22 GLN 23 HE22 GLN 23 -1.219 34.624 -8.915 219 H LYS 24 H LYS 24 0.590 31.091 -14.076 220 HA LYS 24 HA LYS 24 1.002 34.007 -14.041 221 HB2 LYS 24 HB2 LYS 24 2.856 31.701 -13.987 222 HB3 LYS 24 HB3 LYS 24 3.346 33.054 -14.998 223 HG2 LYS 24 HG2 LYS 24 2.418 33.948 -12.411 224 HG3 LYS 24 HG3 LYS 24 3.739 32.785 -12.269 225 HD2 LYS 24 HD2 LYS 24 3.852 35.151 -14.125 226 HD3 LYS 24 HD3 LYS 24 4.394 35.232 -12.447 227 HE2 LYS 24 HE2 LYS 24 5.563 32.925 -13.547 228 HE3 LYS 24 HE3 LYS 24 5.754 34.196 -14.754 229 HZ1 LYS 24 HZ1 LYS 24 7.552 33.962 -12.990 230 HZ2 LYS 24 HZ2 LYS 24 6.442 34.653 -11.917 231 HZ3 LYS 24 HZ3 LYS 24 6.952 35.517 -13.279 232 H PHE 25 H PHE 25 -0.192 31.578 -15.918 233 HA PHE 25 HA PHE 25 0.321 33.113 -18.369 234 HB2 PHE 25 HB2 PHE 25 1.125 30.389 -17.818 235 HB3 PHE 25 HB3 PHE 25 0.018 30.448 -19.186 236 HD1 PHE 25 HD1 PHE 25 3.200 31.802 -17.873 237 HD2 PHE 25 HD2 PHE 25 0.733 31.199 -21.289 238 HE1 PHE 25 HE1 PHE 25 5.051 32.511 -19.331 239 HE2 PHE 25 HE2 PHE 25 2.581 31.905 -22.752 240 HZ PHE 25 HZ PHE 25 4.743 32.561 -21.774 241 H ALA 26 H ALA 26 -1.912 32.211 -16.244 242 HA ALA 26 HA ALA 26 -4.001 31.730 -18.265 243 HB1 ALA 26 HB1 ALA 26 -3.949 31.066 -15.325 244 HB2 ALA 26 HB2 ALA 26 -5.363 30.877 -16.363 245 HB3 ALA 26 HB3 ALA 26 -3.905 29.936 -16.679 246 H LEU 27 H LEU 27 -4.274 32.943 -14.951 247 HA LEU 27 HA LEU 27 -5.434 34.717 -14.105 248 HB2 LEU 27 HB2 LEU 27 -4.126 36.117 -16.433 249 HB3 LEU 27 HB3 LEU 27 -4.782 36.891 -14.992 250 HG LEU 27 HG LEU 27 -2.496 36.900 -14.608 251 HD11 LEU 27 HD11 LEU 27 -2.269 35.722 -12.668 252 HD12 LEU 27 HD12 LEU 27 -2.979 34.255 -13.342 253 HD13 LEU 27 HD13 LEU 27 -4.016 35.606 -12.885 254 HD21 LEU 27 HD21 LEU 27 -2.038 34.032 -15.222 255 HD22 LEU 27 HD22 LEU 27 -0.959 35.416 -15.399 256 HD23 LEU 27 HD23 LEU 27 -2.244 35.143 -16.576 257 HA PRO 28 HA PRO 28 -8.698 34.370 -17.479 258 HB2 PRO 28 HB2 PRO 28 -10.454 32.884 -16.038 259 HB3 PRO 28 HB3 PRO 28 -9.187 32.169 -17.041 260 HG2 PRO 28 HG2 PRO 28 -9.227 32.630 -14.083 261 HG3 PRO 28 HG3 PRO 28 -8.667 31.211 -14.986 262 HD2 PRO 28 HD2 PRO 28 -6.967 33.072 -13.998 263 HD3 PRO 28 HD3 PRO 28 -6.639 32.179 -15.497 264 H GLN 29 H GLN 29 -8.904 34.881 -13.984 265 HA GLN 29 HA GLN 29 -10.959 36.935 -14.478 266 HB2 GLN 29 HB2 GLN 29 -10.701 34.883 -12.330 267 HB3 GLN 29 HB3 GLN 29 -11.398 36.441 -11.908 268 HG2 GLN 29 HG2 GLN 29 -13.334 35.937 -12.864 269 HG3 GLN 29 HG3 GLN 29 -12.546 35.380 -14.339 270 HE21 GLN 29 HE21 GLN 29 -13.947 33.647 -14.563 271 HE22 GLN 29 HE22 GLN 29 -13.872 32.258 -13.538 272 H TYR 30 H TYR 30 -7.856 36.233 -13.262 273 HA TYR 30 HA TYR 30 -7.520 38.187 -11.298 274 HB2 TYR 30 HB2 TYR 30 -5.785 36.626 -11.455 275 HB3 TYR 30 HB3 TYR 30 -5.631 36.828 -13.197 276 HD1 TYR 30 HD1 TYR 30 -4.318 38.630 -14.130 277 HD2 TYR 30 HD2 TYR 30 -4.772 38.233 -9.918 278 HE1 TYR 30 HE1 TYR 30 -2.476 40.223 -13.787 279 HE2 TYR 30 HE2 TYR 30 -2.932 39.826 -9.564 280 HH TYR 30 HH TYR 30 -1.645 41.738 -12.081 281 H LEU 31 H LEU 31 -6.616 38.382 -14.745 282 HA LEU 31 HA LEU 31 -6.284 41.251 -14.547 283 HB2 LEU 31 HB2 LEU 31 -5.848 40.993 -17.052 284 HB3 LEU 31 HB3 LEU 31 -4.694 40.274 -15.930 285 HG LEU 31 HG LEU 31 -5.671 38.069 -16.335 286 HD11 LEU 31 HD11 LEU 31 -7.918 38.433 -16.817 287 HD12 LEU 31 HD12 LEU 31 -7.236 37.937 -18.365 288 HD13 LEU 31 HD13 LEU 31 -7.558 39.642 -18.050 289 HD21 LEU 31 HD21 LEU 31 -5.292 38.560 -19.088 290 HD22 LEU 31 HD22 LEU 31 -4.130 37.925 -17.923 291 HD23 LEU 31 HD23 LEU 31 -4.230 39.662 -18.211 292 H LYS 32 H LYS 32 -8.933 39.464 -14.614 293 HA LYS 32 HA LYS 32 -10.371 41.091 -16.589 294 HB2 LYS 32 HB2 LYS 32 -10.506 38.513 -16.514 295 HB3 LYS 32 HB3 LYS 32 -11.526 38.747 -15.101 296 HG2 LYS 32 HG2 LYS 32 -12.936 40.269 -16.589 297 HG3 LYS 32 HG3 LYS 32 -12.046 39.559 -17.938 298 HD2 LYS 32 HD2 LYS 32 -13.466 37.848 -17.914 299 HD3 LYS 32 HD3 LYS 32 -12.861 37.413 -16.314 300 HE2 LYS 32 HE2 LYS 32 -15.089 37.658 -15.853 301 HE3 LYS 32 HE3 LYS 32 -14.525 39.298 -15.538 302 HZ1 LYS 32 HZ1 LYS 32 -15.353 40.039 -17.590 303 HZ2 LYS 32 HZ2 LYS 32 -16.584 39.074 -16.946 304 HZ3 LYS 32 HZ3 LYS 32 -15.589 38.468 -18.173 305 H THR 33 H THR 33 -10.265 40.248 -13.181 306 HA THR 33 HA THR 33 -12.506 42.038 -12.610 307 HB THR 33 HB THR 33 -12.406 39.786 -11.523 308 HG1 THR 33 HG1 THR 33 -12.990 40.630 -9.470 309 HG21 THR 33 HG21 THR 33 -10.390 40.797 -9.593 310 HG22 THR 33 HG22 THR 33 -9.799 40.201 -11.144 311 HG23 THR 33 HG23 THR 33 -10.746 39.146 -10.096 312 H VAL 34 H VAL 34 -9.049 41.710 -12.088 313 HA VAL 34 HA VAL 34 -8.809 43.901 -10.279 314 HB VAL 34 HB VAL 34 -6.734 42.542 -12.002 315 HG11 VAL 34 HG11 VAL 34 -5.099 43.611 -10.459 316 HG12 VAL 34 HG12 VAL 34 -5.954 44.753 -11.497 317 HG13 VAL 34 HG13 VAL 34 -6.418 44.579 -9.804 318 HG21 VAL 34 HG21 VAL 34 -6.118 41.339 -10.032 319 HG22 VAL 34 HG22 VAL 34 -7.224 42.289 -9.039 320 HG23 VAL 34 HG23 VAL 34 -7.860 41.166 -10.241 321 H TYR 35 H TYR 35 -8.761 43.561 -13.755 322 HA TYR 35 HA TYR 35 -7.646 46.125 -14.311 323 HB2 TYR 35 HB2 TYR 35 -7.968 43.949 -15.818 324 HB3 TYR 35 HB3 TYR 35 -9.435 44.799 -16.288 325 HD1 TYR 35 HD1 TYR 35 -5.762 45.368 -15.926 326 HD2 TYR 35 HD2 TYR 35 -9.336 46.326 -18.028 327 HE1 TYR 35 HE1 TYR 35 -4.459 46.723 -17.513 328 HE2 TYR 35 HE2 TYR 35 -8.042 47.682 -19.621 329 HH TYR 35 HH TYR 35 -5.801 48.935 -19.575 330 H GLN 36 H GLN 36 -10.790 44.986 -13.488 331 HA GLN 36 HA GLN 36 -12.050 47.472 -14.387 332 HB2 GLN 36 HB2 GLN 36 -12.960 44.951 -14.588 333 HB3 GLN 36 HB3 GLN 36 -13.646 45.375 -13.026 334 HG2 GLN 36 HG2 GLN 36 -15.337 46.268 -14.142 335 HG3 GLN 36 HG3 GLN 36 -14.231 47.559 -14.608 336 HE21 GLN 36 HE21 GLN 36 -14.375 47.989 -16.679 337 HE22 GLN 36 HE22 GLN 36 -14.597 46.841 -17.951 338 H HIS 37 H HIS 37 -11.429 45.578 -11.473 339 HA HIS 37 HA HIS 37 -12.775 47.410 -9.729 340 HB2 HIS 37 HB2 HIS 37 -11.039 44.999 -9.351 341 HB3 HIS 37 HB3 HIS 37 -11.361 46.056 -7.979 342 HD1 HIS 37 HD1 HIS 37 -13.531 45.724 -6.786 343 HD2 HIS 37 HD2 HIS 37 -13.457 43.842 -10.490 344 HE1 HIS 37 HE1 HIS 37 -15.643 44.361 -6.891 345 H GLN 38 H GLN 38 -9.330 46.489 -9.886 346 HA GLN 38 HA GLN 38 -8.373 48.618 -8.369 347 HB2 GLN 38 HB2 GLN 38 -7.270 46.435 -9.719 348 HB3 GLN 38 HB3 GLN 38 -6.493 47.841 -10.434 349 HG2 GLN 38 HG2 GLN 38 -6.668 47.699 -7.476 350 HG3 GLN 38 HG3 GLN 38 -5.522 46.640 -8.297 351 HE21 GLN 38 HE21 GLN 38 -3.936 47.637 -9.684 352 HE22 GLN 38 HE22 GLN 38 -3.380 49.235 -9.336 353 H LYS 39 H LYS 39 -7.457 50.606 -8.886 354 HA LYS 39 HA LYS 39 -8.541 51.832 -11.290 355 HB2 LYS 39 HB2 LYS 39 -7.002 53.092 -9.013 356 HB3 LYS 39 HB3 LYS 39 -7.870 53.948 -10.280 357 HG2 LYS 39 HG2 LYS 39 -9.704 53.914 -9.049 358 HG3 LYS 39 HG3 LYS 39 -9.683 52.149 -9.052 359 HD2 LYS 39 HD2 LYS 39 -8.031 52.293 -7.143 360 HD3 LYS 39 HD3 LYS 39 -8.405 54.016 -7.064 361 HE2 LYS 39 HE2 LYS 39 -10.833 52.493 -7.149 362 HE3 LYS 39 HE3 LYS 39 -9.794 51.886 -5.861 363 HZ1 LYS 39 HZ1 LYS 39 -9.748 54.686 -5.795 364 HZ2 LYS 39 HZ2 LYS 39 -10.359 53.620 -4.633 365 HZ3 LYS 39 HZ3 LYS 39 -11.366 54.195 -5.865 Start of MODEL 3 1 H1 LYS 1 H LYS 1 10.767 -2.995 -1.194 2 HA LYS 1 HA LYS 1 10.027 -0.307 -0.237 3 HB2 LYS 1 HB2 LYS 1 12.452 -1.354 -1.574 4 HB3 LYS 1 HB3 LYS 1 11.884 0.216 -2.127 5 HG2 LYS 1 HG2 LYS 1 11.781 0.541 0.564 6 HG3 LYS 1 HG3 LYS 1 13.159 -0.550 0.397 7 HD2 LYS 1 HD2 LYS 1 14.274 0.970 -1.072 8 HD3 LYS 1 HD3 LYS 1 12.842 1.996 -1.187 9 HE2 LYS 1 HE2 LYS 1 13.279 3.031 0.760 10 HE3 LYS 1 HE3 LYS 1 13.802 1.543 1.547 11 HZ1 LYS 1 HZ1 LYS 1 15.373 3.458 -0.032 12 HZ2 LYS 1 HZ2 LYS 1 15.857 1.838 0.010 13 HZ3 LYS 1 HZ3 LYS 1 15.746 2.725 1.447 14 H THR 2 H THR 2 7.997 -0.222 -1.173 15 HA THR 2 HA THR 2 7.320 -1.022 -3.759 16 HB THR 2 HB THR 2 5.593 1.020 -3.404 17 HG1 THR 2 HG1 THR 2 5.258 1.293 -1.174 18 HG21 THR 2 HG21 THR 2 4.750 -1.032 -1.617 19 HG22 THR 2 HG22 THR 2 5.628 -1.782 -2.951 20 HG23 THR 2 HG23 THR 2 4.241 -0.744 -3.280 21 H LYS 3 H LYS 3 6.621 0.475 -5.539 22 HA LYS 3 HA LYS 3 8.772 2.398 -6.047 23 HB2 LYS 3 HB2 LYS 3 7.879 0.408 -7.619 24 HB3 LYS 3 HB3 LYS 3 6.827 1.703 -8.178 25 HG2 LYS 3 HG2 LYS 3 8.468 2.678 -9.320 26 HG3 LYS 3 HG3 LYS 3 9.602 2.536 -7.975 27 HD2 LYS 3 HD2 LYS 3 9.522 -0.026 -8.723 28 HD3 LYS 3 HD3 LYS 3 9.134 0.723 -10.274 29 HE2 LYS 3 HE2 LYS 3 11.162 2.206 -9.888 30 HE3 LYS 3 HE3 LYS 3 11.588 1.106 -8.578 31 HZ1 LYS 3 HZ1 LYS 3 12.383 0.788 -11.101 32 HZ2 LYS 3 HZ2 LYS 3 10.979 -0.155 -11.116 33 HZ3 LYS 3 HZ3 LYS 3 12.211 -0.492 -10.007 34 H LEU 4 H LEU 4 6.438 2.965 -4.329 35 HA LEU 4 HA LEU 4 4.933 4.921 -5.885 36 HB2 LEU 4 HB2 LEU 4 4.354 3.291 -3.675 37 HB3 LEU 4 HB3 LEU 4 4.345 4.947 -3.071 38 HG LEU 4 HG LEU 4 2.767 5.412 -5.073 39 HD11 LEU 4 HD11 LEU 4 1.740 2.693 -4.829 40 HD12 LEU 4 HD12 LEU 4 3.299 2.789 -5.647 41 HD13 LEU 4 HD13 LEU 4 1.927 3.714 -6.255 42 HD21 LEU 4 HD21 LEU 4 0.822 4.695 -3.710 43 HD22 LEU 4 HD22 LEU 4 2.041 5.574 -2.787 44 HD23 LEU 4 HD23 LEU 4 1.930 3.819 -2.654 45 H THR 5 H THR 5 7.251 4.757 -3.238 46 HA THR 5 HA THR 5 7.223 7.364 -2.336 47 HB THR 5 HB THR 5 9.765 5.782 -2.714 48 HG1 THR 5 HG1 THR 5 7.615 5.433 -0.923 49 HG21 THR 5 HG21 THR 5 9.883 8.165 -1.916 50 HG22 THR 5 HG22 THR 5 10.558 6.975 -0.804 51 HG23 THR 5 HG23 THR 5 8.963 7.663 -0.498 52 H GLU 6 H GLU 6 8.748 6.040 -5.220 53 HA GLU 6 HA GLU 6 10.189 8.407 -5.887 54 HB2 GLU 6 HB2 GLU 6 10.879 6.223 -6.732 55 HB3 GLU 6 HB3 GLU 6 9.362 6.061 -7.604 56 HG2 GLU 6 HG2 GLU 6 10.186 7.137 -9.348 57 HG3 GLU 6 HG3 GLU 6 10.640 8.512 -8.343 58 H GLU 7 H GLU 7 7.431 6.890 -7.570 59 HA GLU 7 HA GLU 7 6.773 8.967 -9.238 60 HB2 GLU 7 HB2 GLU 7 5.686 6.529 -8.687 61 HB3 GLU 7 HB3 GLU 7 4.444 7.602 -8.058 62 HG2 GLU 7 HG2 GLU 7 4.666 8.793 -10.347 63 HG3 GLU 7 HG3 GLU 7 5.424 7.286 -10.858 64 H GLU 8 H GLU 8 5.872 8.528 -5.857 65 HA GLU 8 HA GLU 8 3.955 10.478 -5.548 66 HB2 GLU 8 HB2 GLU 8 4.712 8.900 -3.779 67 HB3 GLU 8 HB3 GLU 8 6.170 9.864 -3.585 68 HG2 GLU 8 HG2 GLU 8 4.070 11.679 -3.362 69 HG3 GLU 8 HG3 GLU 8 3.547 10.253 -2.468 70 H LYS 9 H LYS 9 7.472 10.903 -5.154 71 HA LYS 9 HA LYS 9 7.443 13.655 -4.694 72 HB2 LYS 9 HB2 LYS 9 9.473 12.622 -4.218 73 HB3 LYS 9 HB3 LYS 9 9.499 11.744 -5.742 74 HG2 LYS 9 HG2 LYS 9 10.490 13.432 -6.852 75 HG3 LYS 9 HG3 LYS 9 9.611 14.677 -5.962 76 HD2 LYS 9 HD2 LYS 9 11.624 13.093 -4.466 77 HD3 LYS 9 HD3 LYS 9 12.225 14.263 -5.643 78 HE2 LYS 9 HE2 LYS 9 10.874 16.011 -4.549 79 HE3 LYS 9 HE3 LYS 9 10.351 14.832 -3.347 80 HZ1 LYS 9 HZ1 LYS 9 12.714 16.369 -3.399 81 HZ2 LYS 9 HZ2 LYS 9 13.123 14.728 -3.430 82 HZ3 LYS 9 HZ3 LYS 9 12.151 15.333 -2.185 83 H ASN 10 H ASN 10 7.711 11.852 -7.736 84 HA ASN 10 HA ASN 10 8.137 13.994 -9.460 85 HB2 ASN 10 HB2 ASN 10 6.713 11.366 -9.895 86 HB3 ASN 10 HB3 ASN 10 7.055 12.502 -11.197 87 HD21 ASN 10 HD21 ASN 10 8.424 10.302 -8.875 88 HD22 ASN 10 HD22 ASN 10 9.984 10.185 -9.608 89 H ARG 11 H ARG 11 5.266 12.979 -7.812 90 HA ARG 11 HA ARG 11 3.461 14.472 -9.492 91 HB2 ARG 11 HB2 ARG 11 2.772 12.411 -8.283 92 HB3 ARG 11 HB3 ARG 11 2.978 13.269 -6.762 93 HG2 ARG 11 HG2 ARG 11 1.241 14.635 -8.677 94 HG3 ARG 11 HG3 ARG 11 0.646 13.061 -8.147 95 HD2 ARG 11 HD2 ARG 11 1.466 15.354 -6.367 96 HD3 ARG 11 HD3 ARG 11 -0.185 14.834 -6.701 97 HE ARG 11 HE ARG 11 1.504 12.783 -5.586 98 HH11 ARG 11 HH11 ARG 11 -1.097 14.826 -3.330 99 HH12 ARG 11 HH12 ARG 11 -0.675 15.411 -4.906 100 HH21 ARG 11 HH21 ARG 11 -0.168 12.887 -2.539 101 HH22 ARG 11 HH22 ARG 11 0.956 12.002 -3.513 102 H LEU 12 H LEU 12 4.852 14.843 -6.250 103 HA LEU 12 HA LEU 12 3.565 17.095 -5.370 104 HB2 LEU 12 HB2 LEU 12 6.529 16.714 -5.055 105 HB3 LEU 12 HB3 LEU 12 5.410 17.505 -3.946 106 HG LEU 12 HG LEU 12 5.687 14.553 -4.482 107 HD11 LEU 12 HD11 LEU 12 5.785 15.788 -1.787 108 HD12 LEU 12 HD12 LEU 12 7.178 16.007 -2.846 109 HD13 LEU 12 HD13 LEU 12 6.639 14.382 -2.424 110 HD21 LEU 12 HD21 LEU 12 3.332 15.050 -4.300 111 HD22 LEU 12 HD22 LEU 12 3.614 16.018 -2.853 112 HD23 LEU 12 HD23 LEU 12 3.885 14.275 -2.816 113 H ASN 13 H ASN 13 6.640 17.096 -7.184 114 HA ASN 13 HA ASN 13 6.913 19.819 -7.526 115 HB2 ASN 13 HB2 ASN 13 7.624 17.818 -9.670 116 HB3 ASN 13 HB3 ASN 13 8.425 19.342 -9.302 117 HD21 ASN 13 HD21 ASN 13 8.619 16.082 -8.980 118 HD22 ASN 13 HD22 ASN 13 9.697 15.988 -7.633 119 H PHE 14 H PHE 14 4.849 17.576 -9.240 120 HA PHE 14 HA PHE 14 4.182 19.240 -11.420 121 HB2 PHE 14 HB2 PHE 14 3.744 16.696 -11.037 122 HB3 PHE 14 HB3 PHE 14 2.254 17.246 -10.276 123 HD1 PHE 14 HD1 PHE 14 4.211 17.563 -13.423 124 HD2 PHE 14 HD2 PHE 14 0.380 17.647 -11.570 125 HE1 PHE 14 HE1 PHE 14 3.148 17.726 -15.636 126 HE2 PHE 14 HE2 PHE 14 -0.689 17.808 -13.780 127 HZ PHE 14 HZ PHE 14 0.695 17.847 -15.817 128 H LEU 15 H LEU 15 2.007 18.344 -8.746 129 HA LEU 15 HA LEU 15 0.103 20.281 -9.111 130 HB2 LEU 15 HB2 LEU 15 1.045 18.703 -6.798 131 HB3 LEU 15 HB3 LEU 15 0.059 20.116 -6.431 132 HG LEU 15 HG LEU 15 -0.987 18.251 -8.482 133 HD11 LEU 15 HD11 LEU 15 0.026 17.011 -6.357 134 HD12 LEU 15 HD12 LEU 15 -1.480 16.505 -7.121 135 HD13 LEU 15 HD13 LEU 15 -1.521 17.503 -5.667 136 HD21 LEU 15 HD21 LEU 15 -2.978 19.144 -7.905 137 HD22 LEU 15 HD22 LEU 15 -1.966 20.446 -7.281 138 HD23 LEU 15 HD23 LEU 15 -2.579 19.204 -6.188 139 H LYS 16 H LYS 16 3.210 20.575 -7.503 140 HA LYS 16 HA LYS 16 2.835 23.053 -6.257 141 HB2 LYS 16 HB2 LYS 16 5.217 21.524 -7.217 142 HB3 LYS 16 HB3 LYS 16 5.431 23.197 -6.717 143 HG2 LYS 16 HG2 LYS 16 3.909 21.512 -4.850 144 HG3 LYS 16 HG3 LYS 16 5.608 21.080 -5.058 145 HD2 LYS 16 HD2 LYS 16 5.804 22.620 -3.380 146 HD3 LYS 16 HD3 LYS 16 5.936 23.689 -4.778 147 HE2 LYS 16 HE2 LYS 16 3.180 23.226 -3.968 148 HE3 LYS 16 HE3 LYS 16 4.153 23.944 -2.686 149 HZ1 LYS 16 HZ1 LYS 16 2.975 25.313 -4.687 150 HZ2 LYS 16 HZ2 LYS 16 4.554 25.149 -5.270 151 HZ3 LYS 16 HZ3 LYS 16 4.278 25.877 -3.768 152 H LYS 17 H LYS 17 4.104 22.285 -9.487 153 HA LYS 17 HA LYS 17 4.331 25.066 -10.204 154 HB2 LYS 17 HB2 LYS 17 5.072 24.260 -12.362 155 HB3 LYS 17 HB3 LYS 17 5.875 23.344 -11.093 156 HG2 LYS 17 HG2 LYS 17 4.571 21.435 -11.495 157 HG3 LYS 17 HG3 LYS 17 3.398 22.338 -12.456 158 HD2 LYS 17 HD2 LYS 17 4.757 22.396 -14.308 159 HD3 LYS 17 HD3 LYS 17 6.238 22.267 -13.357 160 HE2 LYS 17 HE2 LYS 17 5.800 19.930 -12.925 161 HE3 LYS 17 HE3 LYS 17 4.242 20.038 -13.743 162 HZ1 LYS 17 HZ1 LYS 17 5.337 20.431 -15.812 163 HZ2 LYS 17 HZ2 LYS 17 6.027 19.054 -15.115 164 HZ3 LYS 17 HZ3 LYS 17 6.853 20.530 -15.067 165 H ILE 18 H ILE 18 1.887 22.671 -10.298 166 HA ILE 18 HA ILE 18 0.387 23.767 -12.481 167 HB ILE 18 HB ILE 18 -0.318 21.790 -10.319 168 HG12 ILE 18 HG12 ILE 18 1.233 21.079 -12.135 169 HG13 ILE 18 HG13 ILE 18 -0.277 20.175 -12.121 170 HG21 ILE 18 HG21 ILE 18 -2.046 22.980 -12.464 171 HG22 ILE 18 HG22 ILE 18 -2.372 21.386 -11.787 172 HG23 ILE 18 HG23 ILE 18 -2.384 22.806 -10.742 173 HD11 ILE 18 HD11 ILE 18 -0.558 22.446 -13.823 174 HD12 ILE 18 HD12 ILE 18 0.899 21.554 -14.261 175 HD13 ILE 18 HD13 ILE 18 -0.660 20.732 -14.221 176 H SER 19 H SER 19 0.607 24.357 -9.070 177 HA SER 19 HA SER 19 -1.784 26.058 -9.151 178 HB2 SER 19 HB2 SER 19 -0.788 24.288 -7.202 179 HB3 SER 19 HB3 SER 19 -0.550 25.907 -6.546 180 HG SER 19 HG SER 19 -2.758 26.309 -6.906 181 H GLN 20 H GLN 20 1.486 26.282 -9.573 182 HA GLN 20 HA GLN 20 1.617 29.011 -8.483 183 HB2 GLN 20 HB2 GLN 20 3.694 26.918 -9.003 184 HB3 GLN 20 HB3 GLN 20 4.155 28.615 -9.002 185 HG2 GLN 20 HG2 GLN 20 2.547 27.983 -6.698 186 HG3 GLN 20 HG3 GLN 20 3.947 26.919 -6.809 187 HE21 GLN 20 HE21 GLN 20 5.936 28.357 -7.692 188 HE22 GLN 20 HE22 GLN 20 6.253 29.731 -6.693 189 H ARG 21 H ARG 21 2.270 27.057 -11.354 190 HA ARG 21 HA ARG 21 3.008 29.345 -12.943 191 HB2 ARG 21 HB2 ARG 21 3.855 26.949 -13.241 192 HB3 ARG 21 HB3 ARG 21 2.299 26.609 -13.986 193 HG2 ARG 21 HG2 ARG 21 2.741 27.926 -15.828 194 HG3 ARG 21 HG3 ARG 21 3.961 28.880 -14.981 195 HD2 ARG 21 HD2 ARG 21 5.521 27.071 -15.047 196 HD3 ARG 21 HD3 ARG 21 4.290 25.962 -15.651 197 HE ARG 21 HE ARG 21 4.440 27.983 -17.509 198 HH11 ARG 21 HH11 ARG 21 7.612 25.541 -17.566 199 HH12 ARG 21 HH12 ARG 21 6.632 25.650 -16.141 200 HH21 ARG 21 HH21 ARG 21 7.094 26.793 -19.413 201 HH22 ARG 21 HH22 ARG 21 5.723 27.849 -19.391 202 H TYR 22 H TYR 22 0.165 27.312 -12.509 203 HA TYR 22 HA TYR 22 -1.360 28.193 -14.669 204 HB2 TYR 22 HB2 TYR 22 -1.996 26.279 -13.275 205 HB3 TYR 22 HB3 TYR 22 -2.306 27.357 -11.919 206 HD1 TYR 22 HD1 TYR 22 -4.551 27.605 -11.485 207 HD2 TYR 22 HD2 TYR 22 -3.281 27.302 -15.534 208 HE1 TYR 22 HE1 TYR 22 -6.879 27.875 -12.229 209 HE2 TYR 22 HE2 TYR 22 -5.605 27.572 -16.290 210 HH TYR 22 HH TYR 22 -7.711 27.907 -15.684 211 H GLN 23 H GLN 23 -1.285 29.433 -11.332 212 HA GLN 23 HA GLN 23 -3.076 31.578 -11.853 213 HB2 GLN 23 HB2 GLN 23 -2.139 30.421 -9.592 214 HB3 GLN 23 HB3 GLN 23 -1.149 31.873 -9.631 215 HG2 GLN 23 HG2 GLN 23 -3.872 32.552 -10.185 216 HG3 GLN 23 HG3 GLN 23 -3.780 31.598 -8.705 217 HE21 GLN 23 HE21 GLN 23 -4.352 34.476 -9.230 218 HE22 GLN 23 HE22 GLN 23 -3.252 35.339 -8.215 219 H LYS 24 H LYS 24 0.019 31.079 -12.887 220 HA LYS 24 HA LYS 24 0.619 33.962 -12.977 221 HB2 LYS 24 HB2 LYS 24 2.312 31.556 -12.661 222 HB3 LYS 24 HB3 LYS 24 2.957 32.815 -13.706 223 HG2 LYS 24 HG2 LYS 24 1.910 33.913 -11.246 224 HG3 LYS 24 HG3 LYS 24 3.140 32.684 -10.945 225 HD2 LYS 24 HD2 LYS 24 4.667 33.855 -12.469 226 HD3 LYS 24 HD3 LYS 24 3.437 35.091 -12.743 227 HE2 LYS 24 HE2 LYS 24 3.487 35.300 -10.139 228 HE3 LYS 24 HE3 LYS 24 5.068 34.539 -10.301 229 HZ1 LYS 24 HZ1 LYS 24 5.872 36.537 -10.756 230 HZ2 LYS 24 HZ2 LYS 24 4.328 37.226 -10.793 231 HZ3 LYS 24 HZ3 LYS 24 4.984 36.546 -12.196 232 H PHE 25 H PHE 25 -0.598 31.505 -14.800 233 HA PHE 25 HA PHE 25 0.183 32.858 -17.288 234 HB2 PHE 25 HB2 PHE 25 0.769 30.127 -16.531 235 HB3 PHE 25 HB3 PHE 25 -0.232 30.173 -17.979 236 HD1 PHE 25 HD1 PHE 25 2.991 31.140 -16.520 237 HD2 PHE 25 HD2 PHE 25 0.616 31.020 -20.050 238 HE1 PHE 25 HE1 PHE 25 4.982 31.648 -17.873 239 HE2 PHE 25 HE2 PHE 25 2.603 31.526 -21.408 240 HZ PHE 25 HZ PHE 25 4.790 31.840 -20.320 241 H ALA 26 H ALA 26 -2.246 32.224 -15.288 242 HA ALA 26 HA ALA 26 -4.215 31.753 -17.427 243 HB1 ALA 26 HB1 ALA 26 -5.759 31.087 -15.595 244 HB2 ALA 26 HB2 ALA 26 -4.342 30.047 -15.747 245 HB3 ALA 26 HB3 ALA 26 -4.417 31.253 -14.462 246 H LEU 27 H LEU 27 -4.638 33.163 -14.208 247 HA LEU 27 HA LEU 27 -5.736 35.048 -13.540 248 HB2 LEU 27 HB2 LEU 27 -4.190 36.233 -15.841 249 HB3 LEU 27 HB3 LEU 27 -4.891 37.126 -14.493 250 HG LEU 27 HG LEU 27 -2.640 37.022 -13.950 251 HD11 LEU 27 HD11 LEU 27 -3.368 34.486 -12.583 252 HD12 LEU 27 HD12 LEU 27 -4.351 35.917 -12.273 253 HD13 LEU 27 HD13 LEU 27 -2.620 35.948 -11.938 254 HD21 LEU 27 HD21 LEU 27 -1.152 35.433 -14.586 255 HD22 LEU 27 HD22 LEU 27 -2.395 35.114 -15.796 256 HD23 LEU 27 HD23 LEU 27 -2.293 34.109 -14.350 257 HA PRO 28 HA PRO 28 -8.784 34.705 -17.111 258 HB2 PRO 28 HB2 PRO 28 -10.723 33.412 -15.719 259 HB3 PRO 28 HB3 PRO 28 -9.440 32.565 -16.591 260 HG2 PRO 28 HG2 PRO 28 -9.647 33.198 -13.672 261 HG3 PRO 28 HG3 PRO 28 -9.120 31.698 -14.457 262 HD2 PRO 28 HD2 PRO 28 -7.375 33.508 -13.453 263 HD3 PRO 28 HD3 PRO 28 -7.005 32.512 -14.875 264 H GLN 29 H GLN 29 -9.190 35.427 -13.671 265 HA GLN 29 HA GLN 29 -11.071 37.569 -14.417 266 HB2 GLN 29 HB2 GLN 29 -12.102 37.317 -12.208 267 HB3 GLN 29 HB3 GLN 29 -12.188 35.820 -13.126 268 HG2 GLN 29 HG2 GLN 29 -9.804 35.694 -11.657 269 HG3 GLN 29 HG3 GLN 29 -11.034 36.311 -10.555 270 HE21 GLN 29 HE21 GLN 29 -13.269 35.059 -11.225 271 HE22 GLN 29 HE22 GLN 29 -13.110 33.346 -11.071 272 H TYR 30 H TYR 30 -8.108 36.752 -12.949 273 HA TYR 30 HA TYR 30 -7.780 38.792 -11.073 274 HB2 TYR 30 HB2 TYR 30 -6.141 37.123 -11.025 275 HB3 TYR 30 HB3 TYR 30 -5.859 37.215 -12.760 276 HD1 TYR 30 HD1 TYR 30 -4.375 38.880 -13.693 277 HD2 TYR 30 HD2 TYR 30 -5.133 38.751 -9.508 278 HE1 TYR 30 HE1 TYR 30 -2.462 40.377 -13.306 279 HE2 TYR 30 HE2 TYR 30 -3.222 40.249 -9.110 280 HH TYR 30 HH TYR 30 -1.344 41.587 -11.804 281 H LEU 31 H LEU 31 -6.637 38.736 -14.453 282 HA LEU 31 HA LEU 31 -6.137 41.586 -14.384 283 HB2 LEU 31 HB2 LEU 31 -5.554 41.160 -16.836 284 HB3 LEU 31 HB3 LEU 31 -4.525 40.438 -15.600 285 HG LEU 31 HG LEU 31 -5.611 38.276 -15.955 286 HD11 LEU 31 HD11 LEU 31 -7.023 38.174 -18.132 287 HD12 LEU 31 HD12 LEU 31 -7.310 39.884 -17.812 288 HD13 LEU 31 HD13 LEU 31 -7.784 38.673 -16.621 289 HD21 LEU 31 HD21 LEU 31 -4.760 39.395 -18.614 290 HD22 LEU 31 HD22 LEU 31 -4.570 37.749 -18.008 291 HD23 LEU 31 HD23 LEU 31 -3.623 39.062 -17.307 292 H LYS 32 H LYS 32 -8.884 39.961 -14.541 293 HA LYS 32 HA LYS 32 -10.082 41.557 -16.695 294 HB2 LYS 32 HB2 LYS 32 -10.387 39.000 -16.495 295 HB3 LYS 32 HB3 LYS 32 -11.479 39.374 -15.168 296 HG2 LYS 32 HG2 LYS 32 -12.453 41.020 -17.067 297 HG3 LYS 32 HG3 LYS 32 -11.837 39.702 -18.068 298 HD2 LYS 32 HD2 LYS 32 -13.382 38.908 -15.680 299 HD3 LYS 32 HD3 LYS 32 -14.292 39.715 -16.960 300 HE2 LYS 32 HE2 LYS 32 -14.047 37.988 -18.403 301 HE3 LYS 32 HE3 LYS 32 -12.428 37.596 -17.825 302 HZ1 LYS 32 HZ1 LYS 32 -15.022 36.653 -16.872 303 HZ2 LYS 32 HZ2 LYS 32 -13.811 36.877 -15.713 304 HZ3 LYS 32 HZ3 LYS 32 -13.554 35.823 -17.011 305 H THR 33 H THR 33 -10.254 40.906 -13.248 306 HA THR 33 HA THR 33 -12.408 42.858 -12.930 307 HB THR 33 HB THR 33 -12.529 40.671 -11.721 308 HG1 THR 33 HG1 THR 33 -13.463 42.772 -10.964 309 HG21 THR 33 HG21 THR 33 -10.581 41.659 -9.711 310 HG22 THR 33 HG22 THR 33 -9.929 40.946 -11.187 311 HG23 THR 33 HG23 THR 33 -11.009 40.008 -10.156 312 H VAL 34 H VAL 34 -9.022 42.351 -12.152 313 HA VAL 34 HA VAL 34 -8.762 44.622 -10.448 314 HB VAL 34 HB VAL 34 -6.669 43.044 -11.949 315 HG11 VAL 34 HG11 VAL 34 -5.088 44.097 -10.315 316 HG12 VAL 34 HG12 VAL 34 -5.753 45.204 -11.518 317 HG13 VAL 34 HG13 VAL 34 -6.385 45.207 -9.871 318 HG21 VAL 34 HG21 VAL 34 -6.302 41.859 -9.944 319 HG22 VAL 34 HG22 VAL 34 -7.274 42.991 -9.003 320 HG23 VAL 34 HG23 VAL 34 -8.053 41.902 -10.151 321 H TYR 35 H TYR 35 -8.507 44.083 -13.890 322 HA TYR 35 HA TYR 35 -7.195 46.539 -14.501 323 HB2 TYR 35 HB2 TYR 35 -7.556 44.303 -15.911 324 HB3 TYR 35 HB3 TYR 35 -8.931 45.213 -16.525 325 HD1 TYR 35 HD1 TYR 35 -8.603 47.207 -17.878 326 HD2 TYR 35 HD2 TYR 35 -5.280 44.999 -16.398 327 HE1 TYR 35 HE1 TYR 35 -7.124 48.392 -19.445 328 HE2 TYR 35 HE2 TYR 35 -3.792 46.179 -17.961 329 HH TYR 35 HH TYR 35 -4.909 47.975 -20.559 330 H GLN 36 H GLN 36 -10.453 45.642 -13.839 331 HA GLN 36 HA GLN 36 -11.487 48.145 -14.953 332 HB2 GLN 36 HB2 GLN 36 -12.544 45.678 -15.086 333 HB3 GLN 36 HB3 GLN 36 -13.302 46.229 -13.598 334 HG2 GLN 36 HG2 GLN 36 -14.863 47.113 -14.906 335 HG3 GLN 36 HG3 GLN 36 -13.672 48.358 -15.281 336 HE21 GLN 36 HE21 GLN 36 -12.084 47.619 -17.056 337 HE22 GLN 36 HE22 GLN 36 -12.815 46.903 -18.448 338 H HIS 37 H HIS 37 -11.186 46.384 -11.908 339 HA HIS 37 HA HIS 37 -12.523 48.390 -10.360 340 HB2 HIS 37 HB2 HIS 37 -10.974 45.904 -9.736 341 HB3 HIS 37 HB3 HIS 37 -11.317 47.054 -8.447 342 HD1 HIS 37 HD1 HIS 37 -13.579 46.922 -7.392 343 HD2 HIS 37 HD2 HIS 37 -13.381 44.833 -10.978 344 HE1 HIS 37 HE1 HIS 37 -15.761 45.686 -7.572 345 H GLN 38 H GLN 38 -9.138 47.260 -10.253 346 HA GLN 38 HA GLN 38 -8.155 49.419 -8.784 347 HB2 GLN 38 HB2 GLN 38 -7.106 47.086 -9.916 348 HB3 GLN 38 HB3 GLN 38 -6.182 48.396 -10.640 349 HG2 GLN 38 HG2 GLN 38 -6.598 48.438 -7.703 350 HG3 GLN 38 HG3 GLN 38 -5.463 47.266 -8.370 351 HE21 GLN 38 HE21 GLN 38 -3.714 48.084 -9.680 352 HE22 GLN 38 HE22 GLN 38 -3.083 49.662 -9.369 353 H LYS 39 H LYS 39 -6.906 51.239 -9.406 354 HA LYS 39 HA LYS 39 -6.554 53.155 -10.581 355 HB2 LYS 39 HB2 LYS 39 -5.510 51.158 -12.064 356 HB3 LYS 39 HB3 LYS 39 -6.687 51.790 -13.207 357 HG2 LYS 39 HG2 LYS 39 -5.606 54.092 -12.545 358 HG3 LYS 39 HG3 LYS 39 -4.242 53.064 -12.098 359 HD2 LYS 39 HD2 LYS 39 -3.753 53.526 -14.300 360 HD3 LYS 39 HD3 LYS 39 -4.646 52.012 -14.460 361 HE2 LYS 39 HE2 LYS 39 -5.738 53.241 -16.035 362 HE3 LYS 39 HE3 LYS 39 -6.700 53.681 -14.625 363 HZ1 LYS 39 HZ1 LYS 39 -4.384 55.349 -15.054 364 HZ2 LYS 39 HZ2 LYS 39 -5.979 55.783 -14.696 365 HZ3 LYS 39 HZ3 LYS 39 -5.535 55.438 -16.291 Start of MODEL 4 1 H1 LYS 1 H LYS 1 0.119 1.534 -2.783 2 HA LYS 1 HA LYS 1 1.188 -0.521 -3.099 3 HB2 LYS 1 HB2 LYS 1 1.985 -1.240 -5.237 4 HB3 LYS 1 HB3 LYS 1 0.397 -0.524 -5.479 5 HG2 LYS 1 HG2 LYS 1 1.253 0.813 -7.014 6 HG3 LYS 1 HG3 LYS 1 2.293 1.543 -5.789 7 HD2 LYS 1 HD2 LYS 1 3.997 -0.139 -6.201 8 HD3 LYS 1 HD3 LYS 1 2.948 -0.944 -7.370 9 HE2 LYS 1 HE2 LYS 1 2.950 1.167 -8.705 10 HE3 LYS 1 HE3 LYS 1 4.153 1.812 -7.588 11 HZ1 LYS 1 HZ1 LYS 1 5.569 0.947 -9.083 12 HZ2 LYS 1 HZ2 LYS 1 4.450 -0.167 -9.689 13 HZ3 LYS 1 HZ3 LYS 1 5.284 -0.501 -8.256 14 H THR 2 H THR 2 3.644 -0.994 -4.138 15 HA THR 2 HA THR 2 5.329 0.555 -2.460 16 HB THR 2 HB THR 2 6.811 -0.866 -4.495 17 HG1 THR 2 HG1 THR 2 5.874 -2.972 -3.604 18 HG21 THR 2 HG21 THR 2 7.538 -2.170 -2.466 19 HG22 THR 2 HG22 THR 2 6.416 -1.189 -1.523 20 HG23 THR 2 HG23 THR 2 7.770 -0.426 -2.356 21 H LYS 3 H LYS 3 7.615 1.095 -3.738 22 HA LYS 3 HA LYS 3 8.646 2.798 -4.852 23 HB2 LYS 3 HB2 LYS 3 6.715 2.331 -7.105 24 HB3 LYS 3 HB3 LYS 3 8.421 2.751 -7.185 25 HG2 LYS 3 HG2 LYS 3 8.803 0.439 -6.100 26 HG3 LYS 3 HG3 LYS 3 7.156 0.100 -6.634 27 HD2 LYS 3 HD2 LYS 3 7.732 0.065 -8.830 28 HD3 LYS 3 HD3 LYS 3 8.978 1.300 -8.633 29 HE2 LYS 3 HE2 LYS 3 9.816 -0.963 -7.169 30 HE3 LYS 3 HE3 LYS 3 9.254 -1.546 -8.735 31 HZ1 LYS 3 HZ1 LYS 3 11.702 -0.495 -8.226 32 HZ2 LYS 3 HZ2 LYS 3 10.883 0.808 -8.929 33 HZ3 LYS 3 HZ3 LYS 3 11.005 -0.661 -9.759 34 H LEU 4 H LEU 4 6.745 3.743 -3.106 35 HA LEU 4 HA LEU 4 5.225 5.784 -4.543 36 HB2 LEU 4 HB2 LEU 4 4.673 4.265 -2.310 37 HB3 LEU 4 HB3 LEU 4 5.089 5.839 -1.635 38 HG LEU 4 HG LEU 4 2.677 5.587 -1.950 39 HD11 LEU 4 HD11 LEU 4 2.292 7.699 -2.866 40 HD12 LEU 4 HD12 LEU 4 3.651 7.566 -3.981 41 HD13 LEU 4 HD13 LEU 4 3.945 7.788 -2.256 42 HD21 LEU 4 HD21 LEU 4 1.682 4.930 -3.865 43 HD22 LEU 4 HD22 LEU 4 3.249 4.182 -4.174 44 HD23 LEU 4 HD23 LEU 4 2.863 5.748 -4.888 45 H THR 5 H THR 5 7.950 5.413 -2.388 46 HA THR 5 HA THR 5 8.305 7.996 -1.470 47 HB THR 5 HB THR 5 10.894 7.154 -2.013 48 HG1 THR 5 HG1 THR 5 10.874 4.934 -1.602 49 HG21 THR 5 HG21 THR 5 10.677 6.206 0.394 50 HG22 THR 5 HG22 THR 5 9.040 6.859 0.323 51 HG23 THR 5 HG23 THR 5 10.427 7.931 0.128 52 H GLU 6 H GLU 6 10.074 6.628 -4.253 53 HA GLU 6 HA GLU 6 11.075 9.026 -5.221 54 HB2 GLU 6 HB2 GLU 6 11.260 7.827 -7.420 55 HB3 GLU 6 HB3 GLU 6 11.959 6.970 -6.053 56 HG2 GLU 6 HG2 GLU 6 9.823 5.663 -5.908 57 HG3 GLU 6 HG3 GLU 6 9.353 6.404 -7.436 58 H GLU 7 H GLU 7 8.089 7.335 -6.152 59 HA GLU 7 HA GLU 7 7.236 9.131 -8.112 60 HB2 GLU 7 HB2 GLU 7 6.281 6.790 -7.118 61 HB3 GLU 7 HB3 GLU 7 5.119 7.925 -6.446 62 HG2 GLU 7 HG2 GLU 7 5.045 8.823 -8.906 63 HG3 GLU 7 HG3 GLU 7 5.652 7.211 -9.283 64 H GLU 8 H GLU 8 7.294 9.420 -4.684 65 HA GLU 8 HA GLU 8 5.237 11.362 -4.398 66 HB2 GLU 8 HB2 GLU 8 6.307 9.905 -2.577 67 HB3 GLU 8 HB3 GLU 8 7.614 11.081 -2.571 68 HG2 GLU 8 HG2 GLU 8 6.108 12.834 -1.926 69 HG3 GLU 8 HG3 GLU 8 4.723 11.755 -2.084 70 H LYS 9 H LYS 9 8.785 11.717 -4.239 71 HA LYS 9 HA LYS 9 8.878 14.487 -4.214 72 HB2 LYS 9 HB2 LYS 9 11.146 14.282 -4.512 73 HB3 LYS 9 HB3 LYS 9 10.756 12.644 -4.004 74 HG2 LYS 9 HG2 LYS 9 10.678 11.964 -6.376 75 HG3 LYS 9 HG3 LYS 9 11.173 13.596 -6.830 76 HD2 LYS 9 HD2 LYS 9 13.146 12.296 -6.830 77 HD3 LYS 9 HD3 LYS 9 13.196 13.247 -5.343 78 HE2 LYS 9 HE2 LYS 9 12.155 11.229 -4.202 79 HE3 LYS 9 HE3 LYS 9 12.528 10.333 -5.674 80 HZ1 LYS 9 HZ1 LYS 9 14.555 11.810 -4.089 81 HZ2 LYS 9 HZ2 LYS 9 14.837 10.746 -5.372 82 HZ3 LYS 9 HZ3 LYS 9 14.239 10.159 -3.903 83 H ASN 10 H ASN 10 8.379 12.292 -6.878 84 HA ASN 10 HA ASN 10 8.916 14.115 -8.978 85 HB2 ASN 10 HB2 ASN 10 7.394 11.529 -8.793 86 HB3 ASN 10 HB3 ASN 10 7.385 12.472 -10.280 87 HD21 ASN 10 HD21 ASN 10 8.861 10.006 -8.724 88 HD22 ASN 10 HD22 ASN 10 10.388 10.017 -9.532 89 H ARG 11 H ARG 11 6.180 13.589 -6.917 90 HA ARG 11 HA ARG 11 4.360 15.078 -8.611 91 HB2 ARG 11 HB2 ARG 11 3.852 13.098 -6.939 92 HB3 ARG 11 HB3 ARG 11 3.737 14.405 -5.768 93 HG2 ARG 11 HG2 ARG 11 2.231 15.244 -7.965 94 HG3 ARG 11 HG3 ARG 11 1.834 13.540 -7.736 95 HD2 ARG 11 HD2 ARG 11 0.358 15.050 -6.458 96 HD3 ARG 11 HD3 ARG 11 1.259 13.939 -5.428 97 HE ARG 11 HE ARG 11 2.822 16.127 -5.424 98 HH11 ARG 11 HH11 ARG 11 -0.717 17.009 -3.774 99 HH12 ARG 11 HH12 ARG 11 -0.585 15.673 -4.869 100 HH21 ARG 11 HH21 ARG 11 1.129 18.268 -3.271 101 HH22 ARG 11 HH22 ARG 11 2.661 17.888 -3.984 102 H LEU 12 H LEU 12 6.124 15.543 -5.585 103 HA LEU 12 HA LEU 12 5.072 17.899 -4.671 104 HB2 LEU 12 HB2 LEU 12 8.028 17.351 -4.749 105 HB3 LEU 12 HB3 LEU 12 7.138 18.306 -3.565 106 HG LEU 12 HG LEU 12 7.109 15.308 -3.886 107 HD11 LEU 12 HD11 LEU 12 8.062 15.305 -1.663 108 HD12 LEU 12 HD12 LEU 12 7.994 17.066 -1.602 109 HD13 LEU 12 HD13 LEU 12 9.068 16.264 -2.748 110 HD21 LEU 12 HD21 LEU 12 5.751 15.802 -1.597 111 HD22 LEU 12 HD22 LEU 12 4.989 15.482 -3.155 112 HD23 LEU 12 HD23 LEU 12 5.205 17.143 -2.603 113 H ASN 13 H ASN 13 7.981 17.749 -6.735 114 HA ASN 13 HA ASN 13 8.173 20.438 -7.317 115 HB2 ASN 13 HB2 ASN 13 9.549 19.825 -9.192 116 HB3 ASN 13 HB3 ASN 13 9.853 18.668 -7.899 117 HD21 ASN 13 HD21 ASN 13 9.105 16.557 -8.105 118 HD22 ASN 13 HD22 ASN 13 8.626 15.901 -9.630 119 H PHE 14 H PHE 14 6.208 17.970 -8.896 120 HA PHE 14 HA PHE 14 5.346 19.424 -11.109 121 HB2 PHE 14 HB2 PHE 14 4.951 16.945 -10.512 122 HB3 PHE 14 HB3 PHE 14 3.545 17.524 -9.624 123 HD1 PHE 14 HD1 PHE 14 5.103 18.019 -12.982 124 HD2 PHE 14 HD2 PHE 14 1.544 17.426 -10.725 125 HE1 PHE 14 HE1 PHE 14 3.790 18.005 -15.063 126 HE2 PHE 14 HE2 PHE 14 0.225 17.410 -12.802 127 HZ PHE 14 HZ PHE 14 1.348 17.699 -14.975 128 H LEU 15 H LEU 15 3.294 18.803 -8.266 129 HA LEU 15 HA LEU 15 1.396 20.736 -8.751 130 HB2 LEU 15 HB2 LEU 15 2.379 19.359 -6.313 131 HB3 LEU 15 HB3 LEU 15 1.335 20.762 -6.094 132 HG LEU 15 HG LEU 15 0.156 18.565 -6.036 133 HD11 LEU 15 HD11 LEU 15 -1.525 19.319 -7.910 134 HD12 LEU 15 HD12 LEU 15 -0.515 20.764 -7.925 135 HD13 LEU 15 HD13 LEU 15 -1.319 20.266 -6.436 136 HD21 LEU 15 HD21 LEU 15 1.498 17.427 -7.741 137 HD22 LEU 15 HD22 LEU 15 0.846 18.507 -8.973 138 HD23 LEU 15 HD23 LEU 15 -0.222 17.384 -8.130 139 H LYS 16 H LYS 16 4.525 21.076 -7.182 140 HA LYS 16 HA LYS 16 4.215 23.647 -6.127 141 HB2 LYS 16 HB2 LYS 16 6.555 21.997 -6.982 142 HB3 LYS 16 HB3 LYS 16 6.812 23.698 -6.616 143 HG2 LYS 16 HG2 LYS 16 5.276 22.691 -4.504 144 HG3 LYS 16 HG3 LYS 16 6.513 21.475 -4.831 145 HD2 LYS 16 HD2 LYS 16 7.773 22.775 -3.485 146 HD3 LYS 16 HD3 LYS 16 7.999 23.727 -4.954 147 HE2 LYS 16 HE2 LYS 16 7.383 25.325 -3.388 148 HE3 LYS 16 HE3 LYS 16 5.861 24.965 -4.202 149 HZ1 LYS 16 HZ1 LYS 16 5.235 23.533 -2.394 150 HZ2 LYS 16 HZ2 LYS 16 5.645 25.052 -1.774 151 HZ3 LYS 16 HZ3 LYS 16 6.728 23.759 -1.631 152 H LYS 17 H LYS 17 5.540 22.640 -9.275 153 HA LYS 17 HA LYS 17 5.796 25.343 -10.202 154 HB2 LYS 17 HB2 LYS 17 6.421 22.655 -11.204 155 HB3 LYS 17 HB3 LYS 17 5.916 23.783 -12.456 156 HG2 LYS 17 HG2 LYS 17 7.726 25.220 -10.916 157 HG3 LYS 17 HG3 LYS 17 8.422 23.602 -11.037 158 HD2 LYS 17 HD2 LYS 17 7.954 23.761 -13.534 159 HD3 LYS 17 HD3 LYS 17 7.661 25.480 -13.260 160 HE2 LYS 17 HE2 LYS 17 10.120 24.604 -12.013 161 HE3 LYS 17 HE3 LYS 17 10.112 24.252 -13.740 162 HZ1 LYS 17 HZ1 LYS 17 10.585 26.369 -14.101 163 HZ2 LYS 17 HZ2 LYS 17 10.483 26.728 -12.451 164 HZ3 LYS 17 HZ3 LYS 17 9.102 26.820 -13.424 165 H ILE 18 H ILE 18 3.265 23.064 -10.061 166 HA ILE 18 HA ILE 18 1.784 23.964 -12.334 167 HB ILE 18 HB ILE 18 1.071 22.290 -9.942 168 HG12 ILE 18 HG12 ILE 18 2.429 21.391 -11.891 169 HG13 ILE 18 HG13 ILE 18 0.962 20.498 -11.504 170 HG21 ILE 18 HG21 ILE 18 -0.739 23.528 -11.961 171 HG22 ILE 18 HG22 ILE 18 -1.098 21.910 -11.360 172 HG23 ILE 18 HG23 ILE 18 -0.988 23.264 -10.235 173 HD11 ILE 18 HD11 ILE 18 -0.011 20.997 -13.465 174 HD12 ILE 18 HD12 ILE 18 0.673 22.622 -13.518 175 HD13 ILE 18 HD13 ILE 18 1.657 21.235 -13.985 176 H SER 19 H SER 19 1.409 24.464 -8.825 177 HA SER 19 HA SER 19 -0.729 26.302 -9.060 178 HB2 SER 19 HB2 SER 19 1.192 25.609 -6.850 179 HB3 SER 19 HB3 SER 19 0.040 26.932 -6.664 180 HG SER 19 HG SER 19 -0.439 24.451 -6.188 181 H GLN 20 H GLN 20 2.631 26.610 -9.557 182 HA GLN 20 HA GLN 20 2.633 29.494 -9.134 183 HB2 GLN 20 HB2 GLN 20 4.661 27.394 -9.329 184 HB3 GLN 20 HB3 GLN 20 5.085 28.852 -10.215 185 HG2 GLN 20 HG2 GLN 20 4.051 29.474 -7.592 186 HG3 GLN 20 HG3 GLN 20 5.431 28.380 -7.507 187 HE21 GLN 20 HE21 GLN 20 7.166 29.523 -7.048 188 HE22 GLN 20 HE22 GLN 20 7.626 31.015 -7.787 189 H ARG 21 H ARG 21 3.064 27.151 -11.757 190 HA ARG 21 HA ARG 21 3.404 29.147 -13.774 191 HB2 ARG 21 HB2 ARG 21 4.259 26.782 -13.905 192 HB3 ARG 21 HB3 ARG 21 2.598 26.263 -14.161 193 HG2 ARG 21 HG2 ARG 21 2.663 27.994 -16.114 194 HG3 ARG 21 HG3 ARG 21 4.409 27.782 -15.972 195 HD2 ARG 21 HD2 ARG 21 4.219 25.956 -17.224 196 HD3 ARG 21 HD3 ARG 21 3.338 25.203 -15.895 197 HE ARG 21 HE ARG 21 1.465 26.671 -17.256 198 HH11 ARG 21 HH11 ARG 21 2.682 23.443 -19.287 199 HH12 ARG 21 HH12 ARG 21 3.689 24.112 -18.046 200 HH21 ARG 21 HH21 ARG 21 0.658 24.404 -19.765 201 HH22 ARG 21 HH22 ARG 21 0.130 25.799 -18.887 202 H TYR 22 H TYR 22 0.712 27.049 -12.790 203 HA TYR 22 HA TYR 22 -1.143 27.775 -14.713 204 HB2 TYR 22 HB2 TYR 22 -1.496 25.951 -13.103 205 HB3 TYR 22 HB3 TYR 22 -1.664 27.127 -11.804 206 HD1 TYR 22 HD1 TYR 22 -3.179 26.146 -15.065 207 HD2 TYR 22 HD2 TYR 22 -3.771 27.950 -11.258 208 HE1 TYR 22 HE1 TYR 22 -5.593 26.283 -15.513 209 HE2 TYR 22 HE2 TYR 22 -6.187 28.091 -11.694 210 HH TYR 22 HH TYR 22 -7.643 26.576 -14.485 211 H GLN 23 H GLN 23 -0.602 29.259 -11.524 212 HA GLN 23 HA GLN 23 -2.527 31.316 -11.906 213 HB2 GLN 23 HB2 GLN 23 -1.389 30.376 -9.719 214 HB3 GLN 23 HB3 GLN 23 -0.223 31.654 -10.033 215 HG2 GLN 23 HG2 GLN 23 -2.694 32.886 -10.306 216 HG3 GLN 23 HG3 GLN 23 -2.881 31.809 -8.923 217 HE21 GLN 23 HE21 GLN 23 -1.791 34.790 -9.967 218 HE22 GLN 23 HE22 GLN 23 -0.886 35.245 -8.568 219 H LYS 24 H LYS 24 0.383 30.814 -13.379 220 HA LYS 24 HA LYS 24 0.864 33.695 -13.760 221 HB2 LYS 24 HB2 LYS 24 2.665 31.357 -13.551 222 HB3 LYS 24 HB3 LYS 24 3.096 32.548 -14.771 223 HG2 LYS 24 HG2 LYS 24 2.413 33.804 -12.259 224 HG3 LYS 24 HG3 LYS 24 3.716 32.628 -12.072 225 HD2 LYS 24 HD2 LYS 24 5.128 33.769 -13.506 226 HD3 LYS 24 HD3 LYS 24 3.798 34.589 -14.328 227 HE2 LYS 24 HE2 LYS 24 3.624 36.208 -12.724 228 HE3 LYS 24 HE3 LYS 24 4.217 35.155 -11.441 229 HZ1 LYS 24 HZ1 LYS 24 6.105 35.844 -13.550 230 HZ2 LYS 24 HZ2 LYS 24 6.359 35.662 -11.887 231 HZ3 LYS 24 HZ3 LYS 24 5.674 37.088 -12.487 232 H PHE 25 H PHE 25 -0.541 31.086 -15.195 233 HA PHE 25 HA PHE 25 -0.205 32.272 -17.861 234 HB2 PHE 25 HB2 PHE 25 0.584 29.617 -17.022 235 HB3 PHE 25 HB3 PHE 25 -0.633 29.535 -18.292 236 HD1 PHE 25 HD1 PHE 25 2.774 29.657 -17.676 237 HD2 PHE 25 HD2 PHE 25 -0.180 31.268 -20.282 238 HE1 PHE 25 HE1 PHE 25 4.510 30.107 -19.361 239 HE2 PHE 25 HE2 PHE 25 1.551 31.720 -21.971 240 HZ PHE 25 HZ PHE 25 3.900 31.138 -21.512 241 H ALA 26 H ALA 26 -2.268 31.726 -15.461 242 HA ALA 26 HA ALA 26 -4.531 31.060 -17.224 243 HB1 ALA 26 HB1 ALA 26 -4.245 30.768 -14.239 244 HB2 ALA 26 HB2 ALA 26 -5.744 30.493 -15.128 245 HB3 ALA 26 HB3 ALA 26 -4.336 29.476 -15.436 246 H LEU 27 H LEU 27 -4.498 32.682 -14.079 247 HA LEU 27 HA LEU 27 -5.548 34.582 -13.373 248 HB2 LEU 27 HB2 LEU 27 -4.394 35.642 -15.948 249 HB3 LEU 27 HB3 LEU 27 -4.918 36.609 -14.571 250 HG LEU 27 HG LEU 27 -2.610 36.590 -14.362 251 HD11 LEU 27 HD11 LEU 27 -2.270 35.667 -12.308 252 HD12 LEU 27 HD12 LEU 27 -3.040 34.141 -12.740 253 HD13 LEU 27 HD13 LEU 27 -4.028 35.557 -12.386 254 HD21 LEU 27 HD21 LEU 27 -2.566 34.580 -16.101 255 HD22 LEU 27 HD22 LEU 27 -2.253 33.659 -14.631 256 HD23 LEU 27 HD23 LEU 27 -1.178 34.981 -15.089 257 HA PRO 28 HA PRO 28 -9.076 33.938 -16.422 258 HB2 PRO 28 HB2 PRO 28 -10.747 32.695 -14.680 259 HB3 PRO 28 HB3 PRO 28 -9.581 31.822 -15.680 260 HG2 PRO 28 HG2 PRO 28 -9.376 32.639 -12.807 261 HG3 PRO 28 HG3 PRO 28 -8.923 31.103 -13.569 262 HD2 PRO 28 HD2 PRO 28 -7.107 33.013 -12.949 263 HD3 PRO 28 HD3 PRO 28 -6.919 31.935 -14.347 264 H GLN 29 H GLN 29 -8.992 34.874 -13.011 265 HA GLN 29 HA GLN 29 -11.032 36.919 -13.596 266 HB2 GLN 29 HB2 GLN 29 -10.648 35.137 -11.236 267 HB3 GLN 29 HB3 GLN 29 -11.276 36.756 -10.960 268 HG2 GLN 29 HG2 GLN 29 -13.292 36.198 -11.693 269 HG3 GLN 29 HG3 GLN 29 -12.637 35.443 -13.145 270 HE21 GLN 29 HE21 GLN 29 -14.705 34.746 -10.967 271 HE22 GLN 29 HE22 GLN 29 -14.338 33.100 -10.593 272 H TYR 30 H TYR 30 -7.858 36.269 -12.543 273 HA TYR 30 HA TYR 30 -7.321 38.436 -10.868 274 HB2 TYR 30 HB2 TYR 30 -5.641 36.811 -10.963 275 HB3 TYR 30 HB3 TYR 30 -5.622 36.794 -12.723 276 HD1 TYR 30 HD1 TYR 30 -4.476 38.564 -9.719 277 HD2 TYR 30 HD2 TYR 30 -4.345 38.424 -13.970 278 HE1 TYR 30 HE1 TYR 30 -2.576 40.126 -9.706 279 HE2 TYR 30 HE2 TYR 30 -2.444 39.985 -13.968 280 HH TYR 30 HH TYR 30 -1.522 41.760 -12.420 281 H LEU 31 H LEU 31 -6.689 38.180 -14.372 282 HA LEU 31 HA LEU 31 -6.278 41.040 -14.557 283 HB2 LEU 31 HB2 LEU 31 -6.049 40.464 -17.036 284 HB3 LEU 31 HB3 LEU 31 -4.826 39.851 -15.925 285 HG LEU 31 HG LEU 31 -5.883 37.645 -15.978 286 HD11 LEU 31 HD11 LEU 31 -7.606 37.324 -17.858 287 HD12 LEU 31 HD12 LEU 31 -7.866 39.062 -17.719 288 HD13 LEU 31 HD13 LEU 31 -8.151 38.014 -16.329 289 HD21 LEU 31 HD21 LEU 31 -4.124 38.268 -17.613 290 HD22 LEU 31 HD22 LEU 31 -5.392 38.698 -18.760 291 HD23 LEU 31 HD23 LEU 31 -5.230 37.030 -18.209 292 H LYS 32 H LYS 32 -8.964 39.345 -14.198 293 HA LYS 32 HA LYS 32 -10.518 40.765 -16.245 294 HB2 LYS 32 HB2 LYS 32 -10.706 38.221 -15.841 295 HB3 LYS 32 HB3 LYS 32 -11.604 38.659 -14.393 296 HG2 LYS 32 HG2 LYS 32 -13.208 39.896 -15.793 297 HG3 LYS 32 HG3 LYS 32 -12.327 39.370 -17.229 298 HD2 LYS 32 HD2 LYS 32 -12.811 37.044 -15.749 299 HD3 LYS 32 HD3 LYS 32 -14.313 37.968 -15.682 300 HE2 LYS 32 HE2 LYS 32 -12.910 37.672 -18.296 301 HE3 LYS 32 HE3 LYS 32 -13.827 36.306 -17.661 302 HZ1 LYS 32 HZ1 LYS 32 -15.528 37.307 -18.691 303 HZ2 LYS 32 HZ2 LYS 32 -14.767 38.817 -18.744 304 HZ3 LYS 32 HZ3 LYS 32 -15.561 38.320 -17.336 305 H THR 33 H THR 33 -10.160 40.340 -12.777 306 HA THR 33 HA THR 33 -12.306 42.260 -12.264 307 HB THR 33 HB THR 33 -12.173 40.155 -10.916 308 HG1 THR 33 HG1 THR 33 -12.797 41.218 -9.089 309 HG21 THR 33 HG21 THR 33 -9.987 41.325 -9.285 310 HG22 THR 33 HG22 THR 33 -9.535 40.528 -10.792 311 HG23 THR 33 HG23 THR 33 -10.420 39.637 -9.554 312 H VAL 34 H VAL 34 -8.827 41.884 -11.970 313 HA VAL 34 HA VAL 34 -8.393 44.270 -10.470 314 HB VAL 34 HB VAL 34 -6.494 42.644 -12.165 315 HG11 VAL 34 HG11 VAL 34 -5.628 44.876 -11.997 316 HG12 VAL 34 HG12 VAL 34 -5.954 44.921 -10.263 317 HG13 VAL 34 HG13 VAL 34 -4.716 43.839 -10.901 318 HG21 VAL 34 HG21 VAL 34 -5.788 41.616 -10.157 319 HG22 VAL 34 HG22 VAL 34 -6.673 42.774 -9.164 320 HG23 VAL 34 HG23 VAL 34 -7.551 41.582 -10.123 321 H TYR 35 H TYR 35 -8.630 43.508 -13.871 322 HA TYR 35 HA TYR 35 -7.504 45.948 -14.824 323 HB2 TYR 35 HB2 TYR 35 -7.995 43.615 -16.020 324 HB3 TYR 35 HB3 TYR 35 -9.476 44.450 -16.479 325 HD1 TYR 35 HD1 TYR 35 -9.469 45.626 -18.463 326 HD2 TYR 35 HD2 TYR 35 -5.786 45.059 -16.409 327 HE1 TYR 35 HE1 TYR 35 -8.277 46.736 -20.306 328 HE2 TYR 35 HE2 TYR 35 -4.584 46.168 -18.245 329 HH TYR 35 HH TYR 35 -5.238 47.919 -20.082 330 H GLN 36 H GLN 36 -10.599 45.020 -13.630 331 HA GLN 36 HA GLN 36 -11.868 47.418 -14.731 332 HB2 GLN 36 HB2 GLN 36 -12.850 44.923 -14.548 333 HB3 GLN 36 HB3 GLN 36 -13.399 45.556 -13.002 334 HG2 GLN 36 HG2 GLN 36 -14.166 47.565 -14.596 335 HG3 GLN 36 HG3 GLN 36 -14.255 46.228 -15.742 336 HE21 GLN 36 HE21 GLN 36 -15.712 44.546 -15.367 337 HE22 GLN 36 HE22 GLN 36 -17.042 44.719 -14.278 338 H HIS 37 H HIS 37 -11.060 45.875 -11.661 339 HA HIS 37 HA HIS 37 -12.220 47.949 -10.060 340 HB2 HIS 37 HB2 HIS 37 -10.517 45.546 -9.519 341 HB3 HIS 37 HB3 HIS 37 -10.703 46.772 -8.268 342 HD1 HIS 37 HD1 HIS 37 -12.779 46.661 -6.882 343 HD2 HIS 37 HD2 HIS 37 -13.043 44.339 -10.317 344 HE1 HIS 37 HE1 HIS 37 -14.923 45.366 -6.655 345 H GLN 38 H GLN 38 -8.821 46.901 -10.347 346 HA GLN 38 HA GLN 38 -7.692 49.159 -9.186 347 HB2 GLN 38 HB2 GLN 38 -6.755 46.801 -10.349 348 HB3 GLN 38 HB3 GLN 38 -6.014 48.086 -11.294 349 HG2 GLN 38 HG2 GLN 38 -5.932 48.308 -8.337 350 HG3 GLN 38 HG3 GLN 38 -4.886 47.121 -9.115 351 HE21 GLN 38 HE21 GLN 38 -3.409 47.891 -10.749 352 HE22 GLN 38 HE22 GLN 38 -2.789 49.500 -10.647 353 H LYS 39 H LYS 39 -6.620 50.978 -10.079 354 HA LYS 39 HA LYS 39 -7.021 51.638 -12.864 355 HB2 LYS 39 HB2 LYS 39 -9.106 52.286 -11.327 356 HB3 LYS 39 HB3 LYS 39 -8.097 53.686 -10.991 357 HG2 LYS 39 HG2 LYS 39 -7.925 54.041 -13.464 358 HG3 LYS 39 HG3 LYS 39 -9.138 52.774 -13.661 359 HD2 LYS 39 HD2 LYS 39 -10.824 54.081 -12.880 360 HD3 LYS 39 HD3 LYS 39 -9.776 54.942 -11.749 361 HE2 LYS 39 HE2 LYS 39 -9.498 56.616 -13.187 362 HE3 LYS 39 HE3 LYS 39 -9.012 55.505 -14.466 363 HZ1 LYS 39 HZ1 LYS 39 -10.900 56.115 -15.448 364 HZ2 LYS 39 HZ2 LYS 39 -11.531 56.812 -14.043 365 HZ3 LYS 39 HZ3 LYS 39 -11.696 55.149 -14.310 Start of MODEL 5 1 H1 LYS 1 H LYS 1 0.842 3.349 -2.332 2 HA LYS 1 HA LYS 1 0.656 0.493 -1.821 3 HB2 LYS 1 HB2 LYS 1 0.993 -0.015 -4.262 4 HB3 LYS 1 HB3 LYS 1 -0.602 0.596 -3.845 5 HG2 LYS 1 HG2 LYS 1 1.232 2.724 -4.561 6 HG3 LYS 1 HG3 LYS 1 1.043 1.532 -5.849 7 HD2 LYS 1 HD2 LYS 1 -1.440 1.765 -5.569 8 HD3 LYS 1 HD3 LYS 1 -1.124 3.115 -4.476 9 HE2 LYS 1 HE2 LYS 1 -0.017 4.336 -6.239 10 HE3 LYS 1 HE3 LYS 1 -0.165 2.960 -7.332 11 HZ1 LYS 1 HZ1 LYS 1 -1.976 5.032 -6.953 12 HZ2 LYS 1 HZ2 LYS 1 -2.707 3.640 -6.330 13 HZ3 LYS 1 HZ3 LYS 1 -2.161 3.664 -7.931 14 H THR 2 H THR 2 2.485 2.118 -0.712 15 HA THR 2 HA THR 2 4.723 2.345 -0.359 16 HB THR 2 HB THR 2 5.509 0.490 -2.534 17 HG1 THR 2 HG1 THR 2 4.597 -1.276 -1.580 18 HG21 THR 2 HG21 THR 2 6.630 -0.512 -0.364 19 HG22 THR 2 HG22 THR 2 6.265 1.086 0.287 20 HG23 THR 2 HG23 THR 2 7.284 0.928 -1.144 21 H LYS 3 H LYS 3 6.811 2.988 -1.451 22 HA LYS 3 HA LYS 3 7.882 4.559 -2.710 23 HB2 LYS 3 HB2 LYS 3 6.323 3.552 -5.072 24 HB3 LYS 3 HB3 LYS 3 7.993 4.098 -5.006 25 HG2 LYS 3 HG2 LYS 3 8.316 2.035 -3.450 26 HG3 LYS 3 HG3 LYS 3 6.826 1.473 -4.210 27 HD2 LYS 3 HD2 LYS 3 7.918 0.893 -6.061 28 HD3 LYS 3 HD3 LYS 3 8.650 2.493 -6.192 29 HE2 LYS 3 HE2 LYS 3 10.535 1.234 -5.932 30 HE3 LYS 3 HE3 LYS 3 10.169 1.565 -4.239 31 HZ1 LYS 3 HZ1 LYS 3 8.909 -0.604 -4.276 32 HZ2 LYS 3 HZ2 LYS 3 10.593 -0.723 -4.370 33 HZ3 LYS 3 HZ3 LYS 3 9.652 -0.920 -5.762 34 H LEU 4 H LEU 4 5.427 5.417 -1.491 35 HA LEU 4 HA LEU 4 4.168 7.158 -3.455 36 HB2 LEU 4 HB2 LEU 4 3.258 5.866 -1.193 37 HB3 LEU 4 HB3 LEU 4 3.397 7.545 -0.676 38 HG LEU 4 HG LEU 4 1.137 7.000 -1.446 39 HD11 LEU 4 HD11 LEU 4 0.801 8.937 -2.710 40 HD12 LEU 4 HD12 LEU 4 2.386 8.823 -3.475 41 HD13 LEU 4 HD13 LEU 4 2.258 9.273 -1.774 42 HD21 LEU 4 HD21 LEU 4 2.026 6.809 -4.267 43 HD22 LEU 4 HD22 LEU 4 0.629 6.090 -3.464 44 HD23 LEU 4 HD23 LEU 4 2.231 5.381 -3.252 45 H THR 5 H THR 5 6.236 7.353 -0.612 46 HA THR 5 HA THR 5 6.222 10.080 -0.146 47 HB THR 5 HB THR 5 8.913 9.045 0.100 48 HG1 THR 5 HG1 THR 5 8.519 7.199 1.201 49 HG21 THR 5 HG21 THR 5 7.251 10.726 1.476 50 HG22 THR 5 HG22 THR 5 8.779 10.090 2.087 51 HG23 THR 5 HG23 THR 5 7.261 9.296 2.507 52 H GLU 6 H GLU 6 8.422 8.261 -2.282 53 HA GLU 6 HA GLU 6 9.806 10.507 -3.259 54 HB2 GLU 6 HB2 GLU 6 10.524 8.095 -3.437 55 HB3 GLU 6 HB3 GLU 6 9.357 7.915 -4.739 56 HG2 GLU 6 HG2 GLU 6 11.365 8.282 -5.837 57 HG3 GLU 6 HG3 GLU 6 10.582 9.861 -5.857 58 H GLU 7 H GLU 7 7.104 8.659 -4.658 59 HA GLU 7 HA GLU 7 6.798 10.153 -6.992 60 HB2 GLU 7 HB2 GLU 7 5.561 7.970 -5.923 61 HB3 GLU 7 HB3 GLU 7 4.298 9.184 -5.771 62 HG2 GLU 7 HG2 GLU 7 4.904 9.674 -8.273 63 HG3 GLU 7 HG3 GLU 7 5.539 8.031 -8.215 64 H GLU 8 H GLU 8 5.978 10.908 -3.729 65 HA GLU 8 HA GLU 8 3.977 12.855 -4.248 66 HB2 GLU 8 HB2 GLU 8 4.406 11.714 -2.039 67 HB3 GLU 8 HB3 GLU 8 5.819 12.744 -1.858 68 HG2 GLU 8 HG2 GLU 8 4.114 13.774 -0.623 69 HG3 GLU 8 HG3 GLU 8 4.259 14.713 -2.108 70 H LYS 9 H LYS 9 7.355 13.293 -3.182 71 HA LYS 9 HA LYS 9 7.514 16.030 -3.533 72 HB2 LYS 9 HB2 LYS 9 9.794 15.815 -3.245 73 HB3 LYS 9 HB3 LYS 9 9.226 14.295 -2.567 74 HG2 LYS 9 HG2 LYS 9 9.612 13.362 -4.946 75 HG3 LYS 9 HG3 LYS 9 10.609 14.802 -5.167 76 HD2 LYS 9 HD2 LYS 9 10.986 13.010 -2.792 77 HD3 LYS 9 HD3 LYS 9 11.735 12.630 -4.345 78 HE2 LYS 9 HE2 LYS 9 13.259 14.269 -4.146 79 HE3 LYS 9 HE3 LYS 9 12.093 15.405 -3.470 80 HZ1 LYS 9 HZ1 LYS 9 12.451 14.632 -1.337 81 HZ2 LYS 9 HZ2 LYS 9 14.006 14.578 -1.998 82 HZ3 LYS 9 HZ3 LYS 9 13.100 13.157 -1.851 83 H ASN 10 H ASN 10 7.727 13.474 -5.909 84 HA ASN 10 HA ASN 10 8.801 15.021 -8.023 85 HB2 ASN 10 HB2 ASN 10 7.250 12.442 -7.924 86 HB3 ASN 10 HB3 ASN 10 7.722 13.172 -9.456 87 HD21 ASN 10 HD21 ASN 10 8.549 10.852 -7.413 88 HD22 ASN 10 HD22 ASN 10 10.264 10.823 -7.625 89 H ARG 11 H ARG 11 5.556 14.502 -6.820 90 HA ARG 11 HA ARG 11 4.240 15.671 -9.079 91 HB2 ARG 11 HB2 ARG 11 3.323 14.036 -7.242 92 HB3 ARG 11 HB3 ARG 11 2.985 15.522 -6.365 93 HG2 ARG 11 HG2 ARG 11 1.890 16.170 -8.707 94 HG3 ARG 11 HG3 ARG 11 1.715 14.416 -8.793 95 HD2 ARG 11 HD2 ARG 11 -0.261 15.455 -7.806 96 HD3 ARG 11 HD3 ARG 11 0.564 14.418 -6.643 97 HE ARG 11 HE ARG 11 1.600 16.880 -6.159 98 HH11 ARG 11 HH11 ARG 11 -2.283 16.736 -5.196 99 HH12 ARG 11 HH12 ARG 11 -1.635 15.608 -6.341 100 HH21 ARG 11 HH21 ARG 11 -0.920 18.307 -4.236 101 HH22 ARG 11 HH22 ARG 11 0.760 18.370 -4.651 102 H LEU 12 H LEU 12 5.262 16.804 -5.894 103 HA LEU 12 HA LEU 12 4.029 19.261 -5.779 104 HB2 LEU 12 HB2 LEU 12 6.892 18.867 -4.967 105 HB3 LEU 12 HB3 LEU 12 5.686 19.927 -4.241 106 HG LEU 12 HG LEU 12 5.839 16.923 -4.039 107 HD11 LEU 12 HD11 LEU 12 7.252 18.635 -2.614 108 HD12 LEU 12 HD12 LEU 12 6.525 17.205 -1.882 109 HD13 LEU 12 HD13 LEU 12 5.739 18.776 -1.718 110 HD21 LEU 12 HD21 LEU 12 3.887 17.698 -2.309 111 HD22 LEU 12 HD22 LEU 12 3.602 17.019 -3.912 112 HD23 LEU 12 HD23 LEU 12 3.590 18.768 -3.679 113 H ASN 13 H ASN 13 7.260 18.605 -7.144 114 HA ASN 13 HA ASN 13 7.860 21.125 -8.075 115 HB2 ASN 13 HB2 ASN 13 8.504 18.536 -9.501 116 HB3 ASN 13 HB3 ASN 13 9.374 20.060 -9.649 117 HD21 ASN 13 HD21 ASN 13 9.430 17.108 -8.246 118 HD22 ASN 13 HD22 ASN 13 10.452 17.442 -6.894 119 H PHE 14 H PHE 14 5.741 18.713 -9.482 120 HA PHE 14 HA PHE 14 5.433 19.894 -12.023 121 HB2 PHE 14 HB2 PHE 14 4.716 17.547 -11.190 122 HB3 PHE 14 HB3 PHE 14 3.244 18.351 -10.655 123 HD1 PHE 14 HD1 PHE 14 1.563 18.996 -12.193 124 HD2 PHE 14 HD2 PHE 14 5.293 17.499 -13.595 125 HE1 PHE 14 HE1 PHE 14 0.624 18.787 -14.458 126 HE2 PHE 14 HE2 PHE 14 4.360 17.289 -15.862 127 HZ PHE 14 HZ PHE 14 2.023 17.934 -16.296 128 H LEU 15 H LEU 15 2.983 19.826 -9.433 129 HA LEU 15 HA LEU 15 1.315 21.770 -10.425 130 HB2 LEU 15 HB2 LEU 15 1.899 20.706 -7.727 131 HB3 LEU 15 HB3 LEU 15 1.009 22.225 -7.805 132 HG LEU 15 HG LEU 15 0.017 19.968 -9.460 133 HD11 LEU 15 HD11 LEU 15 -0.983 18.802 -7.712 134 HD12 LEU 15 HD12 LEU 15 -0.687 20.094 -6.550 135 HD13 LEU 15 HD13 LEU 15 0.653 19.103 -7.127 136 HD21 LEU 15 HD21 LEU 15 -2.153 20.935 -8.676 137 HD22 LEU 15 HD22 LEU 15 -1.144 22.047 -9.601 138 HD23 LEU 15 HD23 LEU 15 -1.228 22.186 -7.844 139 H LYS 16 H LYS 16 4.288 22.167 -8.600 140 HA LYS 16 HA LYS 16 4.069 24.885 -7.973 141 HB2 LYS 16 HB2 LYS 16 6.184 22.874 -8.045 142 HB3 LYS 16 HB3 LYS 16 6.771 24.487 -8.427 143 HG2 LYS 16 HG2 LYS 16 5.012 24.562 -6.151 144 HG3 LYS 16 HG3 LYS 16 6.319 23.401 -5.901 145 HD2 LYS 16 HD2 LYS 16 7.773 25.389 -6.880 146 HD3 LYS 16 HD3 LYS 16 6.431 26.352 -6.256 147 HE2 LYS 16 HE2 LYS 16 6.766 24.985 -4.090 148 HE3 LYS 16 HE3 LYS 16 8.341 24.582 -4.772 149 HZ1 LYS 16 HZ1 LYS 16 7.502 27.396 -4.653 150 HZ2 LYS 16 HZ2 LYS 16 9.060 26.740 -4.620 151 HZ3 LYS 16 HZ3 LYS 16 8.075 26.647 -3.248 152 H LYS 17 H LYS 17 5.607 23.322 -10.777 153 HA LYS 17 HA LYS 17 6.152 25.831 -12.062 154 HB2 LYS 17 HB2 LYS 17 6.865 23.074 -12.438 155 HB3 LYS 17 HB3 LYS 17 6.270 23.734 -13.956 156 HG2 LYS 17 HG2 LYS 17 8.570 24.112 -14.009 157 HG3 LYS 17 HG3 LYS 17 7.878 25.671 -13.551 158 HD2 LYS 17 HD2 LYS 17 9.517 25.538 -11.976 159 HD3 LYS 17 HD3 LYS 17 8.243 24.674 -11.112 160 HE2 LYS 17 HE2 LYS 17 9.366 22.655 -12.528 161 HE3 LYS 17 HE3 LYS 17 10.769 23.687 -12.255 162 HZ1 LYS 17 HZ1 LYS 17 9.771 23.683 -9.825 163 HZ2 LYS 17 HZ2 LYS 17 10.829 22.476 -10.359 164 HZ3 LYS 17 HZ3 LYS 17 9.162 22.188 -10.334 165 H ILE 18 H ILE 18 3.476 23.714 -11.883 166 HA ILE 18 HA ILE 18 2.294 24.317 -14.406 167 HB ILE 18 HB ILE 18 1.221 23.123 -11.864 168 HG12 ILE 18 HG12 ILE 18 2.689 21.817 -13.464 169 HG13 ILE 18 HG13 ILE 18 1.117 21.101 -13.123 170 HG21 ILE 18 HG21 ILE 18 -0.287 24.023 -14.288 171 HG22 ILE 18 HG22 ILE 18 -0.842 22.641 -13.344 172 HG23 ILE 18 HG23 ILE 18 -0.691 24.224 -12.583 173 HD11 ILE 18 HD11 ILE 18 1.603 22.808 -15.539 174 HD12 ILE 18 HD12 ILE 18 1.903 21.070 -15.527 175 HD13 ILE 18 HD13 ILE 18 0.278 21.687 -15.231 176 H SER 19 H SER 19 1.488 25.370 -11.092 177 HA SER 19 HA SER 19 -0.400 27.308 -11.910 178 HB2 SER 19 HB2 SER 19 -0.675 27.749 -9.676 179 HB3 SER 19 HB3 SER 19 0.143 26.192 -9.542 180 HG SER 19 HG SER 19 1.878 27.155 -8.793 181 H GLN 20 H GLN 20 2.977 27.278 -12.036 182 HA GLN 20 HA GLN 20 3.230 30.182 -11.917 183 HB2 GLN 20 HB2 GLN 20 5.129 27.889 -11.886 184 HB3 GLN 20 HB3 GLN 20 5.711 29.424 -12.515 185 HG2 GLN 20 HG2 GLN 20 4.323 29.332 -9.877 186 HG3 GLN 20 HG3 GLN 20 6.012 28.845 -10.005 187 HE21 GLN 20 HE21 GLN 20 4.655 31.158 -8.697 188 HE22 GLN 20 HE22 GLN 20 5.474 32.552 -9.303 189 H ARG 21 H ARG 21 3.736 27.516 -14.201 190 HA ARG 21 HA ARG 21 4.413 29.269 -16.370 191 HB2 ARG 21 HB2 ARG 21 4.618 27.324 -17.690 192 HB3 ARG 21 HB3 ARG 21 5.165 26.852 -16.087 193 HG2 ARG 21 HG2 ARG 21 3.832 25.081 -16.510 194 HG3 ARG 21 HG3 ARG 21 2.602 26.166 -15.859 195 HD2 ARG 21 HD2 ARG 21 1.497 26.122 -17.784 196 HD3 ARG 21 HD3 ARG 21 2.928 26.686 -18.647 197 HE ARG 21 HE ARG 21 3.239 23.957 -18.162 198 HH11 ARG 21 HH11 ARG 21 0.863 24.920 -21.237 199 HH12 ARG 21 HH12 ARG 21 1.181 26.085 -19.995 200 HH21 ARG 21 HH21 ARG 21 1.799 22.832 -21.119 201 HH22 ARG 21 HH22 ARG 21 2.827 22.414 -19.791 202 H TYR 22 H TYR 22 1.509 27.758 -15.156 203 HA TYR 22 HA TYR 22 -0.088 28.164 -17.472 204 HB2 TYR 22 HB2 TYR 22 -0.675 26.525 -15.734 205 HB3 TYR 22 HB3 TYR 22 -0.933 27.833 -14.585 206 HD1 TYR 22 HD1 TYR 22 -2.180 26.379 -17.762 207 HD2 TYR 22 HD2 TYR 22 -3.003 28.951 -14.474 208 HE1 TYR 22 HE1 TYR 22 -4.526 26.538 -18.482 209 HE2 TYR 22 HE2 TYR 22 -5.352 29.115 -15.184 210 HH TYR 22 HH TYR 22 -6.513 27.445 -18.097 211 H GLN 23 H GLN 23 0.142 29.926 -14.385 212 HA GLN 23 HA GLN 23 -1.593 32.025 -15.251 213 HB2 GLN 23 HB2 GLN 23 -0.609 31.167 -12.813 214 HB3 GLN 23 HB3 GLN 23 0.211 32.703 -13.058 215 HG2 GLN 23 HG2 GLN 23 -2.135 33.615 -13.603 216 HG3 GLN 23 HG3 GLN 23 -2.715 32.149 -12.814 217 HE21 GLN 23 HE21 GLN 23 -0.392 34.778 -12.285 218 HE22 GLN 23 HE22 GLN 23 -0.727 34.966 -10.601 219 H LYS 24 H LYS 24 1.500 31.262 -16.107 220 HA LYS 24 HA LYS 24 2.692 33.860 -16.143 221 HB2 LYS 24 HB2 LYS 24 3.432 31.150 -16.916 222 HB3 LYS 24 HB3 LYS 24 4.000 32.348 -18.071 223 HG2 LYS 24 HG2 LYS 24 4.493 33.178 -15.345 224 HG3 LYS 24 HG3 LYS 24 5.226 31.613 -15.702 225 HD2 LYS 24 HD2 LYS 24 6.172 32.680 -17.793 226 HD3 LYS 24 HD3 LYS 24 5.651 34.231 -17.129 227 HE2 LYS 24 HE2 LYS 24 7.100 34.025 -15.270 228 HE3 LYS 24 HE3 LYS 24 7.414 32.324 -15.610 229 HZ1 LYS 24 HZ1 LYS 24 8.948 32.826 -17.153 230 HZ2 LYS 24 HZ2 LYS 24 9.046 34.299 -16.328 231 HZ3 LYS 24 HZ3 LYS 24 8.109 34.177 -17.731 232 H PHE 25 H PHE 25 0.826 31.934 -18.410 233 HA PHE 25 HA PHE 25 0.785 34.247 -20.235 234 HB2 PHE 25 HB2 PHE 25 1.346 31.408 -20.769 235 HB3 PHE 25 HB3 PHE 25 0.180 32.138 -21.868 236 HD1 PHE 25 HD1 PHE 25 0.969 33.184 -23.752 237 HD2 PHE 25 HD2 PHE 25 3.511 32.860 -20.354 238 HE1 PHE 25 HE1 PHE 25 2.810 34.191 -25.037 239 HE2 PHE 25 HE2 PHE 25 5.356 33.868 -21.633 240 HZ PHE 25 HZ PHE 25 5.006 34.535 -23.978 241 H ALA 26 H ALA 26 -0.974 31.660 -18.693 242 HA ALA 26 HA ALA 26 -3.475 32.396 -19.984 243 HB1 ALA 26 HB1 ALA 26 -2.508 30.018 -19.025 244 HB2 ALA 26 HB2 ALA 26 -3.642 30.508 -17.766 245 HB3 ALA 26 HB3 ALA 26 -4.191 30.352 -19.435 246 H LEU 27 H LEU 27 -4.445 34.176 -19.253 247 HA LEU 27 HA LEU 27 -4.717 34.505 -16.341 248 HB2 LEU 27 HB2 LEU 27 -4.319 36.715 -18.352 249 HB3 LEU 27 HB3 LEU 27 -4.572 36.922 -16.620 250 HG LEU 27 HG LEU 27 -2.278 37.252 -16.936 251 HD11 LEU 27 HD11 LEU 27 -1.892 34.424 -16.322 252 HD12 LEU 27 HD12 LEU 27 -3.170 35.190 -15.380 253 HD13 LEU 27 HD13 LEU 27 -1.538 35.856 -15.357 254 HD21 LEU 27 HD21 LEU 27 -1.382 34.853 -18.190 255 HD22 LEU 27 HD22 LEU 27 -1.211 36.521 -18.737 256 HD23 LEU 27 HD23 LEU 27 -2.637 35.586 -19.188 257 HA PRO 28 HA PRO 28 -8.797 34.586 -18.721 258 HB2 PRO 28 HB2 PRO 28 -9.869 32.362 -17.591 259 HB3 PRO 28 HB3 PRO 28 -8.897 32.317 -19.067 260 HG2 PRO 28 HG2 PRO 28 -8.088 31.720 -16.247 261 HG3 PRO 28 HG3 PRO 28 -7.682 30.847 -17.736 262 HD2 PRO 28 HD2 PRO 28 -5.968 32.572 -16.545 263 HD3 PRO 28 HD3 PRO 28 -6.017 32.336 -18.304 264 H GLN 29 H GLN 29 -7.988 33.815 -15.364 265 HA GLN 29 HA GLN 29 -10.290 35.446 -14.512 266 HB2 GLN 29 HB2 GLN 29 -9.234 32.856 -13.490 267 HB3 GLN 29 HB3 GLN 29 -9.883 33.994 -12.317 268 HG2 GLN 29 HG2 GLN 29 -11.978 33.529 -12.881 269 HG3 GLN 29 HG3 GLN 29 -11.631 33.681 -14.602 270 HE21 GLN 29 HE21 GLN 29 -12.751 31.920 -15.283 271 HE22 GLN 29 HE22 GLN 29 -12.329 30.295 -14.874 272 H TYR 30 H TYR 30 -6.915 34.997 -14.437 273 HA TYR 30 HA TYR 30 -6.194 36.147 -12.003 274 HB2 TYR 30 HB2 TYR 30 -4.606 35.023 -13.522 275 HB3 TYR 30 HB3 TYR 30 -4.746 36.365 -14.652 276 HD1 TYR 30 HD1 TYR 30 -4.068 35.918 -10.996 277 HD2 TYR 30 HD2 TYR 30 -2.989 37.847 -14.631 278 HE1 TYR 30 HE1 TYR 30 -2.240 37.080 -9.830 279 HE2 TYR 30 HE2 TYR 30 -1.157 39.013 -13.476 280 HH TYR 30 HH TYR 30 -0.914 39.225 -10.164 281 H LEU 31 H LEU 31 -6.446 37.746 -15.183 282 HA LEU 31 HA LEU 31 -6.327 40.358 -13.937 283 HB2 LEU 31 HB2 LEU 31 -6.691 41.105 -16.356 284 HB3 LEU 31 HB3 LEU 31 -5.176 40.300 -15.951 285 HG LEU 31 HG LEU 31 -6.008 38.227 -16.945 286 HD11 LEU 31 HD11 LEU 31 -8.129 38.564 -18.409 287 HD12 LEU 31 HD12 LEU 31 -8.500 39.843 -17.254 288 HD13 LEU 31 HD13 LEU 31 -8.299 38.183 -16.696 289 HD21 LEU 31 HD21 LEU 31 -6.112 39.023 -19.307 290 HD22 LEU 31 HD22 LEU 31 -4.756 39.670 -18.382 291 HD23 LEU 31 HD23 LEU 31 -6.173 40.675 -18.693 292 H LYS 32 H LYS 32 -8.686 38.201 -14.046 293 HA LYS 32 HA LYS 32 -10.818 40.091 -14.753 294 HB2 LYS 32 HB2 LYS 32 -10.698 37.703 -15.709 295 HB3 LYS 32 HB3 LYS 32 -11.204 37.176 -14.109 296 HG2 LYS 32 HG2 LYS 32 -13.268 38.347 -14.290 297 HG3 LYS 32 HG3 LYS 32 -12.744 39.157 -15.769 298 HD2 LYS 32 HD2 LYS 32 -13.726 37.507 -16.900 299 HD3 LYS 32 HD3 LYS 32 -12.447 36.444 -16.310 300 HE2 LYS 32 HE2 LYS 32 -13.801 35.876 -14.365 301 HE3 LYS 32 HE3 LYS 32 -15.068 36.972 -14.912 302 HZ1 LYS 32 HZ1 LYS 32 -15.730 35.551 -16.534 303 HZ2 LYS 32 HZ2 LYS 32 -15.138 34.410 -15.435 304 HZ3 LYS 32 HZ3 LYS 32 -14.193 34.880 -16.756 305 H THR 33 H THR 33 -9.555 38.131 -12.128 306 HA THR 33 HA THR 33 -11.657 39.082 -10.330 307 HB THR 33 HB THR 33 -11.035 36.671 -10.292 308 HG1 THR 33 HG1 THR 33 -10.382 37.984 -7.850 309 HG21 THR 33 HG21 THR 33 -8.482 37.445 -10.523 310 HG22 THR 33 HG22 THR 33 -8.949 35.901 -9.810 311 HG23 THR 33 HG23 THR 33 -8.565 37.272 -8.770 312 H VAL 34 H VAL 34 -8.196 39.318 -10.882 313 HA VAL 34 HA VAL 34 -7.603 40.719 -8.471 314 HB VAL 34 HB VAL 34 -6.062 40.533 -11.062 315 HG11 VAL 34 HG11 VAL 34 -4.131 41.303 -9.702 316 HG12 VAL 34 HG12 VAL 34 -5.381 42.531 -9.911 317 HG13 VAL 34 HG13 VAL 34 -5.249 41.656 -8.385 318 HG21 VAL 34 HG21 VAL 34 -5.004 38.698 -10.228 319 HG22 VAL 34 HG22 VAL 34 -5.190 39.213 -8.552 320 HG23 VAL 34 HG23 VAL 34 -6.556 38.506 -9.414 321 H TYR 35 H TYR 35 -8.630 41.660 -11.673 322 HA TYR 35 HA TYR 35 -7.992 44.426 -11.413 323 HB2 TYR 35 HB2 TYR 35 -8.573 42.913 -13.532 324 HB3 TYR 35 HB3 TYR 35 -10.184 43.553 -13.228 325 HD1 TYR 35 HD1 TYR 35 -6.674 44.543 -13.907 326 HD2 TYR 35 HD2 TYR 35 -10.756 45.743 -13.880 327 HE1 TYR 35 HE1 TYR 35 -6.067 46.613 -15.089 328 HE2 TYR 35 HE2 TYR 35 -10.161 47.815 -15.063 329 HH TYR 35 HH TYR 35 -7.648 48.316 -16.747 330 H GLN 36 H GLN 36 -10.600 42.436 -10.358 331 HA GLN 36 HA GLN 36 -12.303 44.755 -9.820 332 HB2 GLN 36 HB2 GLN 36 -12.990 42.341 -10.781 333 HB3 GLN 36 HB3 GLN 36 -13.182 42.026 -9.061 334 HG2 GLN 36 HG2 GLN 36 -14.444 44.450 -9.410 335 HG3 GLN 36 HG3 GLN 36 -14.849 43.556 -10.875 336 HE21 GLN 36 HE21 GLN 36 -16.655 44.338 -8.824 337 HE22 GLN 36 HE22 GLN 36 -17.315 42.898 -8.135 338 H HIS 37 H HIS 37 -10.612 42.127 -8.181 339 HA HIS 37 HA HIS 37 -11.503 42.890 -5.566 340 HB2 HIS 37 HB2 HIS 37 -9.521 40.922 -6.647 341 HB3 HIS 37 HB3 HIS 37 -9.488 41.328 -4.934 342 HD1 HIS 37 HD1 HIS 37 -11.131 40.150 -3.465 343 HD2 HIS 37 HD2 HIS 37 -12.054 39.766 -7.498 344 HE1 HIS 37 HE1 HIS 37 -13.031 38.505 -3.567 345 H GLN 38 H GLN 38 -8.210 42.816 -6.941 346 HA GLN 38 HA GLN 38 -7.022 44.413 -5.000 347 HB2 GLN 38 HB2 GLN 38 -6.209 43.144 -7.349 348 HB3 GLN 38 HB3 GLN 38 -5.840 44.843 -7.614 349 HG2 GLN 38 HG2 GLN 38 -5.039 43.628 -5.028 350 HG3 GLN 38 HG3 GLN 38 -4.123 43.201 -6.473 351 HE21 GLN 38 HE21 GLN 38 -3.184 44.948 -7.708 352 HE22 GLN 38 HE22 GLN 38 -2.697 46.394 -6.899 353 H LYS 39 H LYS 39 -6.147 46.615 -5.253 354 HA LYS 39 HA LYS 39 -6.454 48.857 -5.483 355 HB2 LYS 39 HB2 LYS 39 -6.204 48.037 -7.943 356 HB3 LYS 39 HB3 LYS 39 -7.928 48.365 -8.051 357 HG2 LYS 39 HG2 LYS 39 -7.233 50.689 -7.060 358 HG3 LYS 39 HG3 LYS 39 -5.654 50.254 -7.719 359 HD2 LYS 39 HD2 LYS 39 -8.226 50.263 -9.296 360 HD3 LYS 39 HD3 LYS 39 -7.053 51.582 -9.284 361 HE2 LYS 39 HE2 LYS 39 -5.343 50.062 -10.156 362 HE3 LYS 39 HE3 LYS 39 -6.517 48.747 -10.168 363 HZ1 LYS 39 HZ1 LYS 39 -6.107 50.822 -12.081 364 HZ2 LYS 39 HZ2 LYS 39 -7.719 50.764 -11.572 365 HZ3 LYS 39 HZ3 LYS 39 -6.988 49.386 -12.228 Start of MODEL 6 1 H1 LYS 1 H LYS 1 9.673 -0.257 1.062 2 HA LYS 1 HA LYS 1 7.528 -1.135 1.049 3 HB2 LYS 1 HB2 LYS 1 5.994 -0.717 2.962 4 HB3 LYS 1 HB3 LYS 1 7.500 -1.494 3.433 5 HG2 LYS 1 HG2 LYS 1 7.643 0.065 5.008 6 HG3 LYS 1 HG3 LYS 1 8.066 1.185 3.710 7 HD2 LYS 1 HD2 LYS 1 6.027 2.184 3.727 8 HD3 LYS 1 HD3 LYS 1 5.181 0.693 4.149 9 HE2 LYS 1 HE2 LYS 1 6.940 1.611 6.271 10 HE3 LYS 1 HE3 LYS 1 5.726 2.814 5.840 11 HZ1 LYS 1 HZ1 LYS 1 4.505 1.624 7.294 12 HZ2 LYS 1 HZ2 LYS 1 5.393 0.202 7.075 13 HZ3 LYS 1 HZ3 LYS 1 4.215 0.645 5.945 14 H THR 2 H THR 2 5.547 -0.320 0.274 15 HA THR 2 HA THR 2 4.176 1.180 -0.752 16 HB THR 2 HB THR 2 5.222 3.515 0.755 17 HG1 THR 2 HG1 THR 2 3.591 1.664 2.126 18 HG21 THR 2 HG21 THR 2 2.800 2.679 -0.543 19 HG22 THR 2 HG22 THR 2 3.242 4.273 0.069 20 HG23 THR 2 HG23 THR 2 2.465 3.103 1.135 21 H LYS 3 H LYS 3 4.169 3.144 -2.148 22 HA LYS 3 HA LYS 3 6.722 4.233 -2.930 23 HB2 LYS 3 HB2 LYS 3 6.268 1.900 -4.099 24 HB3 LYS 3 HB3 LYS 3 5.255 2.881 -5.151 25 HG2 LYS 3 HG2 LYS 3 7.413 4.382 -5.274 26 HG3 LYS 3 HG3 LYS 3 8.209 2.872 -4.825 27 HD2 LYS 3 HD2 LYS 3 7.500 1.783 -6.766 28 HD3 LYS 3 HD3 LYS 3 6.228 2.968 -7.076 29 HE2 LYS 3 HE2 LYS 3 9.035 3.932 -7.042 30 HE3 LYS 3 HE3 LYS 3 8.525 2.955 -8.418 31 HZ1 LYS 3 HZ1 LYS 3 7.353 4.636 -9.241 32 HZ2 LYS 3 HZ2 LYS 3 8.136 5.635 -8.123 33 HZ3 LYS 3 HZ3 LYS 3 6.619 4.981 -7.756 34 H LEU 4 H LEU 4 4.185 5.234 -1.949 35 HA LEU 4 HA LEU 4 3.077 6.646 -4.258 36 HB2 LEU 4 HB2 LEU 4 1.877 5.539 -2.078 37 HB3 LEU 4 HB3 LEU 4 1.993 7.229 -1.595 38 HG LEU 4 HG LEU 4 -0.174 6.719 -2.600 39 HD11 LEU 4 HD11 LEU 4 1.369 8.429 -4.526 40 HD12 LEU 4 HD12 LEU 4 1.013 8.950 -2.880 41 HD13 LEU 4 HD13 LEU 4 -0.306 8.599 -3.998 42 HD21 LEU 4 HD21 LEU 4 1.338 5.177 -4.375 43 HD22 LEU 4 HD22 LEU 4 0.669 6.493 -5.341 44 HD23 LEU 4 HD23 LEU 4 -0.404 5.450 -4.407 45 H THR 5 H THR 5 4.779 7.223 -1.233 46 HA THR 5 HA THR 5 4.631 9.986 -1.083 47 HB THR 5 HB THR 5 6.919 9.830 0.036 48 HG1 THR 5 HG1 THR 5 7.942 7.979 -0.059 49 HG21 THR 5 HG21 THR 5 6.003 8.538 1.979 50 HG22 THR 5 HG22 THR 5 4.616 8.120 0.973 51 HG23 THR 5 HG23 THR 5 4.935 9.806 1.379 52 H GLU 6 H GLU 6 6.794 7.956 -2.997 53 HA GLU 6 HA GLU 6 8.528 9.975 -3.893 54 HB2 GLU 6 HB2 GLU 6 8.091 7.201 -4.413 55 HB3 GLU 6 HB3 GLU 6 8.219 8.040 -5.953 56 HG2 GLU 6 HG2 GLU 6 10.404 7.483 -5.533 57 HG3 GLU 6 HG3 GLU 6 10.323 9.125 -4.898 58 H GLU 7 H GLU 7 5.926 8.408 -5.769 59 HA GLU 7 HA GLU 7 5.876 10.118 -7.914 60 HB2 GLU 7 HB2 GLU 7 4.372 7.988 -7.122 61 HB3 GLU 7 HB3 GLU 7 3.205 9.294 -6.981 62 HG2 GLU 7 HG2 GLU 7 3.991 9.919 -9.369 63 HG3 GLU 7 HG3 GLU 7 4.606 8.268 -9.408 64 H GLU 8 H GLU 8 4.338 10.535 -4.768 65 HA GLU 8 HA GLU 8 2.697 12.692 -5.249 66 HB2 GLU 8 HB2 GLU 8 3.819 11.415 -2.967 67 HB3 GLU 8 HB3 GLU 8 4.017 13.150 -2.761 68 HG2 GLU 8 HG2 GLU 8 1.366 12.300 -3.690 69 HG3 GLU 8 HG3 GLU 8 1.805 11.768 -2.068 70 H LYS 9 H LYS 9 6.108 12.837 -4.222 71 HA LYS 9 HA LYS 9 6.396 15.607 -4.334 72 HB2 LYS 9 HB2 LYS 9 8.142 14.505 -3.263 73 HB3 LYS 9 HB3 LYS 9 8.307 13.310 -4.543 74 HG2 LYS 9 HG2 LYS 9 9.707 14.595 -5.749 75 HG3 LYS 9 HG3 LYS 9 8.881 16.093 -5.314 76 HD2 LYS 9 HD2 LYS 9 9.941 15.320 -2.920 77 HD3 LYS 9 HD3 LYS 9 11.174 14.768 -4.056 78 HE2 LYS 9 HE2 LYS 9 11.259 17.018 -5.034 79 HE3 LYS 9 HE3 LYS 9 10.047 17.562 -3.875 80 HZ1 LYS 9 HZ1 LYS 9 11.527 17.517 -2.161 81 HZ2 LYS 9 HZ2 LYS 9 12.585 17.898 -3.424 82 HZ3 LYS 9 HZ3 LYS 9 12.490 16.309 -2.852 83 H ASN 10 H ASN 10 6.924 13.160 -6.845 84 HA ASN 10 HA ASN 10 7.955 14.814 -8.833 85 HB2 ASN 10 HB2 ASN 10 6.269 12.315 -9.019 86 HB3 ASN 10 HB3 ASN 10 6.987 13.096 -10.425 87 HD21 ASN 10 HD21 ASN 10 7.609 11.328 -7.496 88 HD22 ASN 10 HD22 ASN 10 9.241 10.897 -7.866 89 H ARG 11 H ARG 11 4.723 14.490 -7.635 90 HA ARG 11 HA ARG 11 3.479 15.760 -9.905 91 HB2 ARG 11 HB2 ARG 11 2.499 14.088 -8.074 92 HB3 ARG 11 HB3 ARG 11 2.100 15.602 -7.272 93 HG2 ARG 11 HG2 ARG 11 1.371 15.317 -10.134 94 HG3 ARG 11 HG3 ARG 11 0.434 14.415 -8.941 95 HD2 ARG 11 HD2 ARG 11 0.918 17.393 -8.938 96 HD3 ARG 11 HD3 ARG 11 -0.578 16.588 -9.409 97 HE ARG 11 HE ARG 11 0.357 17.087 -6.736 98 HH11 ARG 11 HH11 ARG 11 -2.733 14.640 -7.436 99 HH12 ARG 11 HH12 ARG 11 -1.681 15.094 -8.736 100 HH21 ARG 11 HH21 ARG 11 -2.358 15.438 -5.322 101 HH22 ARG 11 HH22 ARG 11 -1.022 16.496 -5.018 102 H LEU 12 H LEU 12 4.324 16.680 -6.586 103 HA LEU 12 HA LEU 12 3.233 19.191 -6.439 104 HB2 LEU 12 HB2 LEU 12 6.005 18.584 -5.452 105 HB3 LEU 12 HB3 LEU 12 4.827 19.703 -4.770 106 HG LEU 12 HG LEU 12 4.771 16.692 -4.667 107 HD11 LEU 12 HD11 LEU 12 6.241 17.662 -3.037 108 HD12 LEU 12 HD12 LEU 12 4.773 17.121 -2.224 109 HD13 LEU 12 HD13 LEU 12 5.012 18.835 -2.563 110 HD21 LEU 12 HD21 LEU 12 2.665 18.710 -3.927 111 HD22 LEU 12 HD22 LEU 12 2.695 17.068 -3.285 112 HD23 LEU 12 HD23 LEU 12 2.518 17.334 -5.020 113 H ASN 13 H ASN 13 6.523 18.439 -7.600 114 HA ASN 13 HA ASN 13 7.284 20.977 -8.369 115 HB2 ASN 13 HB2 ASN 13 7.982 18.463 -9.894 116 HB3 ASN 13 HB3 ASN 13 8.934 19.940 -9.773 117 HD21 ASN 13 HD21 ASN 13 8.607 16.866 -8.652 118 HD22 ASN 13 HD22 ASN 13 9.484 17.007 -7.170 119 H PHE 14 H PHE 14 5.234 18.677 -10.045 120 HA PHE 14 HA PHE 14 5.180 19.960 -12.555 121 HB2 PHE 14 HB2 PHE 14 4.341 17.602 -11.887 122 HB3 PHE 14 HB3 PHE 14 2.847 18.422 -11.445 123 HD1 PHE 14 HD1 PHE 14 5.101 17.580 -14.225 124 HD2 PHE 14 HD2 PHE 14 1.339 19.226 -13.101 125 HE1 PHE 14 HE1 PHE 14 4.362 17.484 -16.570 126 HE2 PHE 14 HE2 PHE 14 0.594 19.131 -15.444 127 HZ PHE 14 HZ PHE 14 2.105 18.259 -17.181 128 H LEU 15 H LEU 15 2.511 19.858 -10.194 129 HA LEU 15 HA LEU 15 0.979 21.879 -11.250 130 HB2 LEU 15 HB2 LEU 15 1.308 20.716 -8.546 131 HB3 LEU 15 HB3 LEU 15 0.445 22.248 -8.658 132 HG LEU 15 HG LEU 15 -0.418 20.055 -10.463 133 HD11 LEU 15 HD11 LEU 15 0.005 19.225 -8.003 134 HD12 LEU 15 HD12 LEU 15 -1.451 18.764 -8.886 135 HD13 LEU 15 HD13 LEU 15 -1.515 20.067 -7.699 136 HD21 LEU 15 HD21 LEU 15 -2.064 21.924 -8.785 137 HD22 LEU 15 HD22 LEU 15 -2.522 21.075 -10.261 138 HD23 LEU 15 HD23 LEU 15 -1.374 22.413 -10.332 139 H LYS 16 H LYS 16 3.797 22.134 -9.174 140 HA LYS 16 HA LYS 16 3.584 24.831 -8.457 141 HB2 LYS 16 HB2 LYS 16 5.687 22.786 -8.484 142 HB3 LYS 16 HB3 LYS 16 6.294 24.427 -8.665 143 HG2 LYS 16 HG2 LYS 16 4.461 24.623 -6.604 144 HG3 LYS 16 HG3 LYS 16 5.264 23.077 -6.321 145 HD2 LYS 16 HD2 LYS 16 7.444 24.415 -6.743 146 HD3 LYS 16 HD3 LYS 16 6.439 25.830 -6.426 147 HE2 LYS 16 HE2 LYS 16 6.901 23.491 -4.579 148 HE3 LYS 16 HE3 LYS 16 7.535 25.125 -4.388 149 HZ1 LYS 16 HZ1 LYS 16 4.805 24.132 -3.978 150 HZ2 LYS 16 HZ2 LYS 16 5.016 25.737 -4.467 151 HZ3 LYS 16 HZ3 LYS 16 5.718 25.193 -3.027 152 H LYS 17 H LYS 17 5.329 23.340 -11.180 153 HA LYS 17 HA LYS 17 6.027 25.882 -12.317 154 HB2 LYS 17 HB2 LYS 17 6.113 23.193 -13.685 155 HB3 LYS 17 HB3 LYS 17 7.045 24.630 -14.084 156 HG2 LYS 17 HG2 LYS 17 7.605 24.007 -11.391 157 HG3 LYS 17 HG3 LYS 17 7.699 22.502 -12.309 158 HD2 LYS 17 HD2 LYS 17 9.802 23.196 -12.738 159 HD3 LYS 17 HD3 LYS 17 9.013 24.180 -13.973 160 HE2 LYS 17 HE2 LYS 17 8.777 25.935 -12.095 161 HE3 LYS 17 HE3 LYS 17 10.010 24.988 -11.264 162 HZ1 LYS 17 HZ1 LYS 17 10.280 26.787 -13.477 163 HZ2 LYS 17 HZ2 LYS 17 11.014 25.292 -13.770 164 HZ3 LYS 17 HZ3 LYS 17 11.458 26.201 -12.414 165 H ILE 18 H ILE 18 3.309 23.809 -12.458 166 HA ILE 18 HA ILE 18 2.354 24.545 -15.039 167 HB ILE 18 HB ILE 18 1.042 23.275 -12.651 168 HG12 ILE 18 HG12 ILE 18 2.630 22.001 -14.160 169 HG13 ILE 18 HG13 ILE 18 1.023 21.302 -13.988 170 HG21 ILE 18 HG21 ILE 18 -0.741 24.514 -13.547 171 HG22 ILE 18 HG22 ILE 18 -0.231 24.204 -15.206 172 HG23 ILE 18 HG23 ILE 18 -0.915 22.900 -14.236 173 HD11 ILE 18 HD11 ILE 18 1.989 21.317 -16.308 174 HD12 ILE 18 HD12 ILE 18 0.381 22.022 -16.139 175 HD13 ILE 18 HD13 ILE 18 1.792 23.069 -16.289 176 H SER 19 H SER 19 1.298 25.481 -11.761 177 HA SER 19 HA SER 19 -0.483 27.489 -12.649 178 HB2 SER 19 HB2 SER 19 -0.936 26.748 -10.487 179 HB3 SER 19 HB3 SER 19 0.760 26.797 -10.007 180 HG SER 19 HG SER 19 -1.064 28.929 -10.288 181 H GLN 20 H GLN 20 2.891 27.393 -12.503 182 HA GLN 20 HA GLN 20 3.187 30.283 -12.236 183 HB2 GLN 20 HB2 GLN 20 5.051 27.953 -12.192 184 HB3 GLN 20 HB3 GLN 20 5.690 29.527 -12.647 185 HG2 GLN 20 HG2 GLN 20 4.606 30.377 -10.489 186 HG3 GLN 20 HG3 GLN 20 4.483 28.675 -10.044 187 HE21 GLN 20 HE21 GLN 20 6.151 27.804 -9.039 188 HE22 GLN 20 HE22 GLN 20 7.751 28.452 -8.981 189 H ARG 21 H ARG 21 3.824 27.707 -14.591 190 HA ARG 21 HA ARG 21 4.704 29.537 -16.618 191 HB2 ARG 21 HB2 ARG 21 5.014 27.654 -17.988 192 HB3 ARG 21 HB3 ARG 21 5.362 27.074 -16.365 193 HG2 ARG 21 HG2 ARG 21 3.098 26.127 -16.236 194 HG3 ARG 21 HG3 ARG 21 2.796 26.671 -17.888 195 HD2 ARG 21 HD2 ARG 21 3.476 24.252 -17.622 196 HD3 ARG 21 HD3 ARG 21 4.419 25.199 -18.771 197 HE ARG 21 HE ARG 21 5.541 25.108 -16.121 198 HH11 ARG 21 HH11 ARG 21 6.888 22.734 -19.050 199 HH12 ARG 21 HH12 ARG 21 5.368 23.548 -19.229 200 HH21 ARG 21 HH21 ARG 21 8.123 23.015 -17.141 201 HH22 ARG 21 HH22 ARG 21 7.542 24.042 -15.874 202 H TYR 22 H TYR 22 1.690 27.996 -15.735 203 HA TYR 22 HA TYR 22 0.300 28.584 -18.147 204 HB2 TYR 22 HB2 TYR 22 -0.439 26.821 -16.600 205 HB3 TYR 22 HB3 TYR 22 -0.788 28.038 -15.377 206 HD1 TYR 22 HD1 TYR 22 -1.582 27.642 -19.015 207 HD2 TYR 22 HD2 TYR 22 -3.044 28.375 -15.087 208 HE1 TYR 22 HE1 TYR 22 -3.858 27.883 -19.914 209 HE2 TYR 22 HE2 TYR 22 -5.325 28.617 -15.975 210 HH TYR 22 HH TYR 22 -6.637 28.078 -17.853 211 H GLN 23 H GLN 23 0.305 30.115 -14.932 212 HA GLN 23 HA GLN 23 -1.365 32.280 -15.764 213 HB2 GLN 23 HB2 GLN 23 -0.692 31.246 -13.345 214 HB3 GLN 23 HB3 GLN 23 0.343 32.667 -13.388 215 HG2 GLN 23 HG2 GLN 23 -1.815 33.921 -14.058 216 HG3 GLN 23 HG3 GLN 23 -2.639 32.502 -13.414 217 HE21 GLN 23 HE21 GLN 23 0.014 34.686 -12.517 218 HE22 GLN 23 HE22 GLN 23 -0.455 34.851 -10.862 219 H LYS 24 H LYS 24 1.713 31.567 -16.574 220 HA LYS 24 HA LYS 24 2.876 34.201 -16.340 221 HB2 LYS 24 HB2 LYS 24 3.784 31.526 -17.055 222 HB3 LYS 24 HB3 LYS 24 4.438 32.759 -18.126 223 HG2 LYS 24 HG2 LYS 24 4.595 33.552 -15.346 224 HG3 LYS 24 HG3 LYS 24 5.425 32.025 -15.652 225 HD2 LYS 24 HD2 LYS 24 5.873 34.232 -17.583 226 HD3 LYS 24 HD3 LYS 24 6.605 34.393 -15.984 227 HE2 LYS 24 HE2 LYS 24 8.183 32.902 -16.478 228 HE3 LYS 24 HE3 LYS 24 6.989 31.735 -17.043 229 HZ1 LYS 24 HZ1 LYS 24 7.173 33.727 -18.973 230 HZ2 LYS 24 HZ2 LYS 24 7.681 32.119 -19.095 231 HZ3 LYS 24 HZ3 LYS 24 8.759 33.308 -18.562 232 H PHE 25 H PHE 25 1.290 32.269 -18.796 233 HA PHE 25 HA PHE 25 1.381 34.599 -20.594 234 HB2 PHE 25 HB2 PHE 25 2.078 31.778 -21.111 235 HB3 PHE 25 HB3 PHE 25 1.057 32.532 -22.332 236 HD1 PHE 25 HD1 PHE 25 4.362 32.382 -20.858 237 HD2 PHE 25 HD2 PHE 25 1.861 34.500 -23.573 238 HE1 PHE 25 HE1 PHE 25 6.346 33.445 -21.851 239 HE2 PHE 25 HE2 PHE 25 3.840 35.566 -24.571 240 HZ PHE 25 HZ PHE 25 6.087 35.039 -23.711 241 H ALA 26 H ALA 26 -0.524 32.631 -18.754 242 HA ALA 26 HA ALA 26 -2.888 33.162 -20.434 243 HB1 ALA 26 HB1 ALA 26 -2.074 30.698 -19.912 244 HB2 ALA 26 HB2 ALA 26 -2.975 30.980 -18.422 245 HB3 ALA 26 HB3 ALA 26 -3.786 31.117 -19.982 246 H LEU 27 H LEU 27 -3.960 34.823 -19.585 247 HA LEU 27 HA LEU 27 -4.413 34.844 -16.677 248 HB2 LEU 27 HB2 LEU 27 -3.961 37.267 -18.412 249 HB3 LEU 27 HB3 LEU 27 -4.286 37.270 -16.680 250 HG LEU 27 HG LEU 27 -1.986 37.675 -16.876 251 HD11 LEU 27 HD11 LEU 27 -1.290 36.141 -15.409 252 HD12 LEU 27 HD12 LEU 27 -1.567 34.808 -16.530 253 HD13 LEU 27 HD13 LEU 27 -2.904 35.449 -15.576 254 HD21 LEU 27 HD21 LEU 27 -1.302 35.295 -18.473 255 HD22 LEU 27 HD22 LEU 27 -0.620 36.921 -18.504 256 HD23 LEU 27 HD23 LEU 27 -2.139 36.585 -19.337 257 HA PRO 28 HA PRO 28 -8.344 35.109 -19.282 258 HB2 PRO 28 HB2 PRO 28 -9.437 32.769 -18.443 259 HB3 PRO 28 HB3 PRO 28 -8.377 32.883 -19.853 260 HG2 PRO 28 HG2 PRO 28 -7.728 32.022 -17.061 261 HG3 PRO 28 HG3 PRO 28 -7.216 31.306 -18.600 262 HD2 PRO 28 HD2 PRO 28 -5.611 32.928 -17.143 263 HD3 PRO 28 HD3 PRO 28 -5.549 32.866 -18.916 264 H GLN 29 H GLN 29 -7.721 34.024 -15.973 265 HA GLN 29 HA GLN 29 -10.093 35.544 -15.108 266 HB2 GLN 29 HB2 GLN 29 -9.121 32.846 -14.345 267 HB3 GLN 29 HB3 GLN 29 -9.767 33.847 -13.052 268 HG2 GLN 29 HG2 GLN 29 -11.876 33.636 -13.768 269 HG3 GLN 29 HG3 GLN 29 -11.421 33.766 -15.466 270 HE21 GLN 29 HE21 GLN 29 -12.225 31.676 -12.897 271 HE22 GLN 29 HE22 GLN 29 -12.070 30.184 -13.753 272 H TYR 30 H TYR 30 -6.729 35.108 -14.875 273 HA TYR 30 HA TYR 30 -6.175 35.988 -12.285 274 HB2 TYR 30 HB2 TYR 30 -4.401 35.065 -13.585 275 HB3 TYR 30 HB3 TYR 30 -4.622 36.260 -14.859 276 HD1 TYR 30 HD1 TYR 30 -3.593 38.406 -14.728 277 HD2 TYR 30 HD2 TYR 30 -3.399 35.745 -11.414 278 HE1 TYR 30 HE1 TYR 30 -1.895 39.844 -13.680 279 HE2 TYR 30 HE2 TYR 30 -1.702 37.176 -10.356 280 HH TYR 30 HH TYR 30 -1.049 40.310 -11.370 281 H LEU 31 H LEU 31 -6.252 37.906 -15.292 282 HA LEU 31 HA LEU 31 -6.215 40.376 -13.781 283 HB2 LEU 31 HB2 LEU 31 -6.445 41.370 -16.124 284 HB3 LEU 31 HB3 LEU 31 -4.954 40.518 -15.727 285 HG LEU 31 HG LEU 31 -5.729 38.567 -16.976 286 HD11 LEU 31 HD11 LEU 31 -7.771 39.011 -18.488 287 HD12 LEU 31 HD12 LEU 31 -8.199 40.228 -17.287 288 HD13 LEU 31 HD13 LEU 31 -8.043 38.538 -16.811 289 HD21 LEU 31 HD21 LEU 31 -5.961 39.844 -19.262 290 HD22 LEU 31 HD22 LEU 31 -4.444 39.861 -18.363 291 HD23 LEU 31 HD23 LEU 31 -5.538 41.242 -18.272 292 H LYS 32 H LYS 32 -8.553 38.239 -14.256 293 HA LYS 32 HA LYS 32 -10.653 40.195 -14.873 294 HB2 LYS 32 HB2 LYS 32 -10.479 37.938 -16.081 295 HB3 LYS 32 HB3 LYS 32 -11.038 37.223 -14.575 296 HG2 LYS 32 HG2 LYS 32 -13.151 37.825 -14.946 297 HG3 LYS 32 HG3 LYS 32 -12.691 39.449 -15.464 298 HD2 LYS 32 HD2 LYS 32 -12.283 37.054 -17.229 299 HD3 LYS 32 HD3 LYS 32 -13.819 37.922 -17.185 300 HE2 LYS 32 HE2 LYS 32 -11.409 39.590 -17.498 301 HE3 LYS 32 HE3 LYS 32 -11.785 38.528 -18.854 302 HZ1 LYS 32 HZ1 LYS 32 -13.944 39.501 -19.036 303 HZ2 LYS 32 HZ2 LYS 32 -12.809 40.754 -19.019 304 HZ3 LYS 32 HZ3 LYS 32 -13.720 40.419 -17.633 305 H THR 33 H THR 33 -9.549 37.939 -12.413 306 HA THR 33 HA THR 33 -11.752 38.686 -10.646 307 HB THR 33 HB THR 33 -11.080 36.294 -10.822 308 HG1 THR 33 HG1 THR 33 -11.209 35.963 -8.590 309 HG21 THR 33 HG21 THR 33 -8.716 36.771 -9.100 310 HG22 THR 33 HG22 THR 33 -8.536 37.127 -10.818 311 HG23 THR 33 HG23 THR 33 -9.010 35.511 -10.297 312 H VAL 34 H VAL 34 -8.273 39.039 -10.974 313 HA VAL 34 HA VAL 34 -7.836 40.178 -8.399 314 HB VAL 34 HB VAL 34 -6.172 40.277 -10.916 315 HG11 VAL 34 HG11 VAL 34 -4.518 40.737 -8.732 316 HG12 VAL 34 HG12 VAL 34 -5.013 41.914 -9.950 317 HG13 VAL 34 HG13 VAL 34 -5.924 41.761 -8.447 318 HG21 VAL 34 HG21 VAL 34 -6.671 38.118 -9.437 319 HG22 VAL 34 HG22 VAL 34 -5.101 38.408 -10.187 320 HG23 VAL 34 HG23 VAL 34 -5.349 38.796 -8.485 321 H TYR 35 H TYR 35 -8.554 41.481 -11.587 322 HA TYR 35 HA TYR 35 -8.051 44.196 -10.976 323 HB2 TYR 35 HB2 TYR 35 -8.521 42.903 -13.269 324 HB3 TYR 35 HB3 TYR 35 -10.145 43.513 -12.976 325 HD1 TYR 35 HD1 TYR 35 -10.610 45.901 -13.037 326 HD2 TYR 35 HD2 TYR 35 -6.691 44.416 -13.770 327 HE1 TYR 35 HE1 TYR 35 -9.964 48.084 -13.967 328 HE2 TYR 35 HE2 TYR 35 -6.033 46.596 -14.701 329 HH TYR 35 HH TYR 35 -8.382 49.184 -15.155 330 H GLN 36 H GLN 36 -10.630 42.076 -10.190 331 HA GLN 36 HA GLN 36 -12.398 44.312 -9.501 332 HB2 GLN 36 HB2 GLN 36 -13.018 42.023 -10.774 333 HB3 GLN 36 HB3 GLN 36 -13.302 41.516 -9.115 334 HG2 GLN 36 HG2 GLN 36 -15.347 42.345 -9.428 335 HG3 GLN 36 HG3 GLN 36 -14.580 43.911 -9.168 336 HE21 GLN 36 HE21 GLN 36 -16.623 42.296 -11.116 337 HE22 GLN 36 HE22 GLN 36 -16.424 43.192 -12.580 338 H HIS 37 H HIS 37 -10.782 41.496 -8.114 339 HA HIS 37 HA HIS 37 -11.773 42.024 -5.460 340 HB2 HIS 37 HB2 HIS 37 -9.888 40.025 -6.661 341 HB3 HIS 37 HB3 HIS 37 -9.942 40.238 -4.914 342 HD1 HIS 37 HD1 HIS 37 -11.845 39.151 -3.676 343 HD2 HIS 37 HD2 HIS 37 -12.353 39.070 -7.799 344 HE1 HIS 37 HE1 HIS 37 -13.828 37.658 -4.080 345 H GLN 38 H GLN 38 -8.392 41.604 -6.472 346 HA GLN 38 HA GLN 38 -7.348 43.171 -4.390 347 HB2 GLN 38 HB2 GLN 38 -6.328 41.598 -6.505 348 HB3 GLN 38 HB3 GLN 38 -5.579 43.182 -6.651 349 HG2 GLN 38 HG2 GLN 38 -4.355 42.923 -4.789 350 HG3 GLN 38 HG3 GLN 38 -5.642 42.076 -3.932 351 HE21 GLN 38 HE21 GLN 38 -2.811 41.780 -5.843 352 HE22 GLN 38 HE22 GLN 38 -2.699 40.056 -5.812 353 H LYS 39 H LYS 39 -5.900 45.124 -4.830 354 HA LYS 39 HA LYS 39 -7.159 46.950 -6.760 355 HB2 LYS 39 HB2 LYS 39 -7.710 47.130 -4.126 356 HB3 LYS 39 HB3 LYS 39 -6.257 48.118 -4.191 357 HG2 LYS 39 HG2 LYS 39 -8.354 48.641 -6.218 358 HG3 LYS 39 HG3 LYS 39 -8.682 49.124 -4.552 359 HD2 LYS 39 HD2 LYS 39 -6.290 50.171 -4.693 360 HD3 LYS 39 HD3 LYS 39 -6.575 50.098 -6.434 361 HE2 LYS 39 HE2 LYS 39 -7.960 51.844 -6.365 362 HE3 LYS 39 HE3 LYS 39 -8.862 51.164 -5.011 363 HZ1 LYS 39 HZ1 LYS 39 -6.855 51.944 -3.634 364 HZ2 LYS 39 HZ2 LYS 39 -7.983 53.097 -4.142 365 HZ3 LYS 39 HZ3 LYS 39 -6.510 52.939 -4.958 Start of MODEL 7 1 H1 LYS 1 H LYS 1 6.332 -4.251 -0.686 2 HA LYS 1 HA LYS 1 5.662 -2.299 0.510 3 HB2 LYS 1 HB2 LYS 1 8.548 -1.803 0.228 4 HB3 LYS 1 HB3 LYS 1 7.548 -0.363 0.083 5 HG2 LYS 1 HG2 LYS 1 6.928 -2.154 2.343 6 HG3 LYS 1 HG3 LYS 1 8.471 -1.299 2.415 7 HD2 LYS 1 HD2 LYS 1 6.501 0.552 1.561 8 HD3 LYS 1 HD3 LYS 1 5.854 -0.310 2.959 9 HE2 LYS 1 HE2 LYS 1 6.991 1.309 4.070 10 HE3 LYS 1 HE3 LYS 1 8.315 0.162 3.871 11 HZ1 LYS 1 HZ1 LYS 1 9.143 2.240 3.203 12 HZ2 LYS 1 HZ2 LYS 1 7.768 2.603 2.287 13 HZ3 LYS 1 HZ3 LYS 1 8.842 1.406 1.761 14 H THR 2 H THR 2 4.742 -0.374 -0.363 15 HA THR 2 HA THR 2 4.308 -0.527 -3.191 16 HB THR 2 HB THR 2 3.080 1.766 -2.593 17 HG1 THR 2 HG1 THR 2 2.614 1.955 -0.473 18 HG21 THR 2 HG21 THR 2 1.632 0.163 -3.317 19 HG22 THR 2 HG22 THR 2 1.207 0.138 -1.605 20 HG23 THR 2 HG23 THR 2 2.305 -1.077 -2.260 21 H LYS 3 H LYS 3 5.066 0.760 -4.792 22 HA LYS 3 HA LYS 3 7.328 2.472 -4.145 23 HB2 LYS 3 HB2 LYS 3 6.205 1.450 -6.753 24 HB3 LYS 3 HB3 LYS 3 7.545 2.586 -6.668 25 HG2 LYS 3 HG2 LYS 3 8.163 0.437 -4.944 26 HG3 LYS 3 HG3 LYS 3 7.586 -0.251 -6.463 27 HD2 LYS 3 HD2 LYS 3 9.180 1.370 -7.614 28 HD3 LYS 3 HD3 LYS 3 9.887 1.636 -6.019 29 HE2 LYS 3 HE2 LYS 3 9.728 -1.125 -6.250 30 HE3 LYS 3 HE3 LYS 3 10.220 -0.584 -7.854 31 HZ1 LYS 3 HZ1 LYS 3 11.653 0.767 -5.792 32 HZ2 LYS 3 HZ2 LYS 3 12.244 -0.106 -7.115 33 HZ3 LYS 3 HZ3 LYS 3 11.848 -0.910 -5.680 34 H LEU 4 H LEU 4 5.501 3.860 -3.077 35 HA LEU 4 HA LEU 4 4.511 5.786 -5.074 36 HB2 LEU 4 HB2 LEU 4 3.136 4.431 -3.069 37 HB3 LEU 4 HB3 LEU 4 3.351 6.062 -2.437 38 HG LEU 4 HG LEU 4 1.195 5.745 -3.592 39 HD11 LEU 4 HD11 LEU 4 1.284 7.766 -4.901 40 HD12 LEU 4 HD12 LEU 4 3.038 7.644 -5.035 41 HD13 LEU 4 HD13 LEU 4 2.293 7.954 -3.467 42 HD21 LEU 4 HD21 LEU 4 2.526 4.229 -5.367 43 HD22 LEU 4 HD22 LEU 4 2.476 5.754 -6.250 44 HD23 LEU 4 HD23 LEU 4 0.977 4.997 -5.711 45 H THR 5 H THR 5 7.183 5.670 -3.812 46 HA THR 5 HA THR 5 7.164 8.079 -2.144 47 HB THR 5 HB THR 5 9.779 7.354 -2.228 48 HG1 THR 5 HG1 THR 5 8.414 4.873 -2.126 49 HG21 THR 5 HG21 THR 5 7.536 6.538 -0.412 50 HG22 THR 5 HG22 THR 5 8.803 7.734 -0.145 51 HG23 THR 5 HG23 THR 5 9.189 6.015 -0.095 52 H GLU 6 H GLU 6 9.482 6.872 -4.561 53 HA GLU 6 HA GLU 6 10.490 9.322 -5.326 54 HB2 GLU 6 HB2 GLU 6 11.107 8.179 -7.484 55 HB3 GLU 6 HB3 GLU 6 11.616 7.343 -6.024 56 HG2 GLU 6 HG2 GLU 6 9.570 5.913 -6.244 57 HG3 GLU 6 HG3 GLU 6 9.312 6.651 -7.824 58 H GLU 7 H GLU 7 7.809 7.520 -6.814 59 HA GLU 7 HA GLU 7 7.233 9.323 -8.863 60 HB2 GLU 7 HB2 GLU 7 6.213 6.920 -8.051 61 HB3 GLU 7 HB3 GLU 7 4.894 8.012 -7.654 62 HG2 GLU 7 HG2 GLU 7 5.308 8.889 -10.090 63 HG3 GLU 7 HG3 GLU 7 6.034 7.297 -10.305 64 H GLU 8 H GLU 8 6.523 9.445 -5.469 65 HA GLU 8 HA GLU 8 4.424 11.351 -5.577 66 HB2 GLU 8 HB2 GLU 8 5.059 9.837 -3.622 67 HB3 GLU 8 HB3 GLU 8 6.342 10.989 -3.280 68 HG2 GLU 8 HG2 GLU 8 4.902 12.600 -2.559 69 HG3 GLU 8 HG3 GLU 8 3.578 12.027 -3.573 70 H LYS 9 H LYS 9 7.821 11.765 -4.562 71 HA LYS 9 HA LYS 9 7.847 14.522 -4.406 72 HB2 LYS 9 HB2 LYS 9 10.295 14.360 -4.772 73 HB3 LYS 9 HB3 LYS 9 9.699 13.198 -3.593 74 HG2 LYS 9 HG2 LYS 9 9.878 11.407 -5.142 75 HG3 LYS 9 HG3 LYS 9 10.182 12.516 -6.482 76 HD2 LYS 9 HD2 LYS 9 12.012 12.433 -4.109 77 HD3 LYS 9 HD3 LYS 9 12.179 11.264 -5.421 78 HE2 LYS 9 HE2 LYS 9 12.435 13.093 -7.020 79 HE3 LYS 9 HE3 LYS 9 12.246 14.266 -5.718 80 HZ1 LYS 9 HZ1 LYS 9 14.512 14.133 -5.904 81 HZ2 LYS 9 HZ2 LYS 9 14.511 12.488 -6.300 82 HZ3 LYS 9 HZ3 LYS 9 14.237 12.974 -4.703 83 H ASN 10 H ASN 10 8.120 12.459 -7.227 84 HA ASN 10 HA ASN 10 8.999 14.424 -9.053 85 HB2 ASN 10 HB2 ASN 10 7.556 11.800 -9.383 86 HB3 ASN 10 HB3 ASN 10 7.938 12.822 -10.766 87 HD21 ASN 10 HD21 ASN 10 8.919 10.174 -9.342 88 HD22 ASN 10 HD22 ASN 10 10.630 10.273 -9.565 89 H ARG 11 H ARG 11 5.829 13.507 -7.873 90 HA ARG 11 HA ARG 11 4.363 15.010 -9.813 91 HB2 ARG 11 HB2 ARG 11 3.613 13.029 -8.250 92 HB3 ARG 11 HB3 ARG 11 3.236 14.329 -7.128 93 HG2 ARG 11 HG2 ARG 11 2.018 15.293 -9.293 94 HG3 ARG 11 HG3 ARG 11 1.927 13.570 -9.665 95 HD2 ARG 11 HD2 ARG 11 -0.058 14.320 -8.458 96 HD3 ARG 11 HD3 ARG 11 0.863 13.153 -7.510 97 HE ARG 11 HE ARG 11 1.795 15.553 -6.654 98 HH11 ARG 11 HH11 ARG 11 -2.037 15.043 -5.614 99 HH12 ARG 11 HH12 ARG 11 -1.380 14.156 -6.950 100 HH21 ARG 11 HH21 ARG 11 -0.716 16.506 -4.446 101 HH22 ARG 11 HH22 ARG 11 0.942 16.727 -4.894 102 H LEU 12 H LEU 12 5.466 15.597 -6.507 103 HA LEU 12 HA LEU 12 4.145 17.938 -5.915 104 HB2 LEU 12 HB2 LEU 12 7.048 17.529 -5.266 105 HB3 LEU 12 HB3 LEU 12 5.828 18.387 -4.328 106 HG LEU 12 HG LEU 12 6.106 15.406 -4.675 107 HD11 LEU 12 HD11 LEU 12 6.253 15.558 -2.156 108 HD12 LEU 12 HD12 LEU 12 6.459 17.297 -2.366 109 HD13 LEU 12 HD13 LEU 12 7.636 16.180 -3.056 110 HD21 LEU 12 HD21 LEU 12 3.842 17.078 -3.702 111 HD22 LEU 12 HD22 LEU 12 4.183 15.551 -2.887 112 HD23 LEU 12 HD23 LEU 12 3.822 15.568 -4.614 113 H ASN 13 H ASN 13 7.353 17.682 -7.458 114 HA ASN 13 HA ASN 13 7.815 20.355 -7.937 115 HB2 ASN 13 HB2 ASN 13 8.533 18.094 -9.815 116 HB3 ASN 13 HB3 ASN 13 9.333 19.659 -9.699 117 HD21 ASN 13 HD21 ASN 13 9.555 16.509 -8.857 118 HD22 ASN 13 HD22 ASN 13 10.595 16.642 -7.484 119 H PHE 14 H PHE 14 5.774 18.120 -9.712 120 HA PHE 14 HA PHE 14 5.338 19.716 -11.994 121 HB2 PHE 14 HB2 PHE 14 4.759 17.222 -11.573 122 HB3 PHE 14 HB3 PHE 14 3.261 17.846 -10.890 123 HD1 PHE 14 HD1 PHE 14 1.460 17.879 -12.296 124 HD2 PHE 14 HD2 PHE 14 5.353 18.404 -13.933 125 HE1 PHE 14 HE1 PHE 14 0.488 18.018 -14.552 126 HE2 PHE 14 HE2 PHE 14 4.388 18.544 -16.192 127 HZ PHE 14 HZ PHE 14 1.952 18.352 -16.504 128 H LEU 15 H LEU 15 2.955 19.052 -9.428 129 HA LEU 15 HA LEU 15 1.182 21.068 -10.026 130 HB2 LEU 15 HB2 LEU 15 1.848 19.530 -7.590 131 HB3 LEU 15 HB3 LEU 15 0.901 20.998 -7.361 132 HG LEU 15 HG LEU 15 -0.045 19.094 -9.427 133 HD11 LEU 15 HD11 LEU 15 0.602 17.600 -7.600 134 HD12 LEU 15 HD12 LEU 15 -1.150 17.685 -7.783 135 HD13 LEU 15 HD13 LEU 15 -0.356 18.563 -6.475 136 HD21 LEU 15 HD21 LEU 15 -1.439 20.687 -7.278 137 HD22 LEU 15 HD22 LEU 15 -2.211 19.808 -8.598 138 HD23 LEU 15 HD23 LEU 15 -1.198 21.210 -8.945 139 H LYS 16 H LYS 16 4.200 21.261 -8.271 140 HA LYS 16 HA LYS 16 3.866 23.783 -7.086 141 HB2 LYS 16 HB2 LYS 16 6.130 21.998 -7.718 142 HB3 LYS 16 HB3 LYS 16 6.541 23.702 -7.570 143 HG2 LYS 16 HG2 LYS 16 4.880 22.425 -5.453 144 HG3 LYS 16 HG3 LYS 16 6.619 22.122 -5.493 145 HD2 LYS 16 HD2 LYS 16 6.779 24.719 -5.699 146 HD3 LYS 16 HD3 LYS 16 5.146 24.682 -5.028 147 HE2 LYS 16 HE2 LYS 16 6.611 22.925 -3.442 148 HE3 LYS 16 HE3 LYS 16 7.695 24.287 -3.718 149 HZ1 LYS 16 HZ1 LYS 16 5.835 24.226 -1.808 150 HZ2 LYS 16 HZ2 LYS 16 4.966 24.990 -3.042 151 HZ3 LYS 16 HZ3 LYS 16 6.424 25.655 -2.497 152 H LYS 17 H LYS 17 5.382 22.889 -10.181 153 HA LYS 17 HA LYS 17 5.750 25.631 -10.955 154 HB2 LYS 17 HB2 LYS 17 6.561 24.715 -13.066 155 HB3 LYS 17 HB3 LYS 17 7.293 23.874 -11.707 156 HG2 LYS 17 HG2 LYS 17 6.275 21.912 -12.191 157 HG3 LYS 17 HG3 LYS 17 4.827 22.693 -12.831 158 HD2 LYS 17 HD2 LYS 17 5.616 22.676 -14.928 159 HD3 LYS 17 HD3 LYS 17 7.222 23.206 -14.422 160 HE2 LYS 17 HE2 LYS 17 7.930 21.020 -13.987 161 HE3 LYS 17 HE3 LYS 17 6.281 20.399 -13.939 162 HZ1 LYS 17 HZ1 LYS 17 7.680 19.919 -15.998 163 HZ2 LYS 17 HZ2 LYS 17 7.415 21.536 -16.418 164 HZ3 LYS 17 HZ3 LYS 17 6.103 20.482 -16.241 165 H ILE 18 H ILE 18 3.232 23.311 -11.210 166 HA ILE 18 HA ILE 18 1.933 24.324 -13.521 167 HB ILE 18 HB ILE 18 0.981 22.639 -11.218 168 HG12 ILE 18 HG12 ILE 18 2.500 21.710 -13.016 169 HG13 ILE 18 HG13 ILE 18 0.970 20.863 -12.812 170 HG21 ILE 18 HG21 ILE 18 -1.002 23.724 -11.725 171 HG22 ILE 18 HG22 ILE 18 -0.607 23.861 -13.438 172 HG23 ILE 18 HG23 ILE 18 -1.068 22.299 -12.762 173 HD11 ILE 18 HD11 ILE 18 1.484 22.941 -14.922 174 HD12 ILE 18 HD12 ILE 18 1.634 21.201 -15.170 175 HD13 ILE 18 HD13 ILE 18 0.067 21.902 -14.766 176 H SER 19 H SER 19 1.088 24.664 -10.068 177 HA SER 19 HA SER 19 -0.873 26.652 -10.511 178 HB2 SER 19 HB2 SER 19 -0.160 25.102 -8.377 179 HB3 SER 19 HB3 SER 19 0.449 26.679 -7.878 180 HG SER 19 HG SER 19 -1.729 26.357 -7.247 181 H GLN 20 H GLN 20 2.504 26.781 -10.570 182 HA GLN 20 HA GLN 20 2.691 29.567 -9.774 183 HB2 GLN 20 HB2 GLN 20 4.625 27.411 -10.462 184 HB3 GLN 20 HB3 GLN 20 5.141 29.075 -10.698 185 HG2 GLN 20 HG2 GLN 20 3.886 28.425 -8.104 186 HG3 GLN 20 HG3 GLN 20 5.485 27.749 -8.413 187 HE21 GLN 20 HE21 GLN 20 7.046 28.944 -7.623 188 HE22 GLN 20 HE22 GLN 20 7.066 30.668 -7.518 189 H ARG 21 H ARG 21 3.197 27.633 -12.714 190 HA ARG 21 HA ARG 21 3.619 29.955 -14.352 191 HB2 ARG 21 HB2 ARG 21 4.616 27.683 -14.789 192 HB3 ARG 21 HB3 ARG 21 3.011 27.140 -15.259 193 HG2 ARG 21 HG2 ARG 21 2.968 28.755 -17.070 194 HG3 ARG 21 HG3 ARG 21 4.550 29.365 -16.579 195 HD2 ARG 21 HD2 ARG 21 4.322 26.457 -17.094 196 HD3 ARG 21 HD3 ARG 21 4.229 27.528 -18.492 197 HE ARG 21 HE ARG 21 6.555 26.906 -16.959 198 HH11 ARG 21 HH11 ARG 21 6.521 30.145 -19.312 199 HH12 ARG 21 HH12 ARG 21 5.028 29.387 -18.866 200 HH21 ARG 21 HH21 ARG 21 8.510 29.295 -18.558 201 HH22 ARG 21 HH22 ARG 21 8.527 27.895 -17.540 202 H TYR 22 H TYR 22 0.992 27.599 -13.940 203 HA TYR 22 HA TYR 22 -0.761 28.544 -15.862 204 HB2 TYR 22 HB2 TYR 22 -1.141 26.470 -14.620 205 HB3 TYR 22 HB3 TYR 22 -1.424 27.388 -13.145 206 HD1 TYR 22 HD1 TYR 22 -3.619 27.717 -12.531 207 HD2 TYR 22 HD2 TYR 22 -2.701 27.266 -16.661 208 HE1 TYR 22 HE1 TYR 22 -6.014 27.854 -13.072 209 HE2 TYR 22 HE2 TYR 22 -5.094 27.403 -17.214 210 HH TYR 22 HH TYR 22 -7.420 28.486 -15.060 211 H GLN 23 H GLN 23 -0.546 29.507 -12.442 212 HA GLN 23 HA GLN 23 -2.553 31.508 -12.644 213 HB2 GLN 23 HB2 GLN 23 -1.328 30.270 -10.567 214 HB3 GLN 23 HB3 GLN 23 -0.491 31.817 -10.551 215 HG2 GLN 23 HG2 GLN 23 -2.998 32.703 -10.745 216 HG3 GLN 23 HG3 GLN 23 -3.304 31.171 -9.928 217 HE21 GLN 23 HE21 GLN 23 -3.954 32.175 -8.037 218 HE22 GLN 23 HE22 GLN 23 -2.842 32.965 -6.978 219 H LYS 24 H LYS 24 0.492 31.389 -13.926 220 HA LYS 24 HA LYS 24 0.828 34.313 -13.806 221 HB2 LYS 24 HB2 LYS 24 2.738 32.052 -13.857 222 HB3 LYS 24 HB3 LYS 24 3.181 33.453 -14.823 223 HG2 LYS 24 HG2 LYS 24 2.265 34.230 -12.196 224 HG3 LYS 24 HG3 LYS 24 3.613 33.094 -12.110 225 HD2 LYS 24 HD2 LYS 24 4.633 34.658 -13.957 226 HD3 LYS 24 HD3 LYS 24 3.506 35.836 -13.281 227 HE2 LYS 24 HE2 LYS 24 4.835 34.515 -11.137 228 HE3 LYS 24 HE3 LYS 24 6.048 35.052 -12.298 229 HZ1 LYS 24 HZ1 LYS 24 5.609 36.760 -10.664 230 HZ2 LYS 24 HZ2 LYS 24 3.962 36.756 -11.046 231 HZ3 LYS 24 HZ3 LYS 24 5.093 37.280 -12.189 232 H PHE 25 H PHE 25 -0.326 31.915 -15.751 233 HA PHE 25 HA PHE 25 0.111 33.548 -18.154 234 HB2 PHE 25 HB2 PHE 25 0.998 30.830 -17.707 235 HB3 PHE 25 HB3 PHE 25 -0.127 30.906 -19.060 236 HD1 PHE 25 HD1 PHE 25 3.196 31.669 -17.885 237 HD2 PHE 25 HD2 PHE 25 0.377 32.382 -20.994 238 HE1 PHE 25 HE1 PHE 25 5.009 32.478 -19.339 239 HE2 PHE 25 HE2 PHE 25 2.185 33.192 -22.452 240 HZ PHE 25 HZ PHE 25 4.505 33.240 -21.626 241 H ALA 26 H ALA 26 -2.068 32.512 -16.035 242 HA ALA 26 HA ALA 26 -4.168 32.027 -18.043 243 HB1 ALA 26 HB1 ALA 26 -5.484 31.103 -16.140 244 HB2 ALA 26 HB2 ALA 26 -4.012 30.202 -16.503 245 HB3 ALA 26 HB3 ALA 26 -4.057 31.298 -15.121 246 H LEU 27 H LEU 27 -4.438 33.159 -14.700 247 HA LEU 27 HA LEU 27 -5.639 34.881 -13.804 248 HB2 LEU 27 HB2 LEU 27 -4.400 36.379 -16.108 249 HB3 LEU 27 HB3 LEU 27 -5.043 37.089 -14.628 250 HG LEU 27 HG LEU 27 -2.752 37.140 -14.289 251 HD11 LEU 27 HD11 LEU 27 -2.312 35.656 -12.499 252 HD12 LEU 27 HD12 LEU 27 -3.442 34.454 -13.124 253 HD13 LEU 27 HD13 LEU 27 -4.047 35.976 -12.469 254 HD21 LEU 27 HD21 LEU 27 -2.465 35.507 -16.328 255 HD22 LEU 27 HD22 LEU 27 -2.279 34.300 -15.055 256 HD23 LEU 27 HD23 LEU 27 -1.189 35.687 -15.123 257 HA PRO 28 HA PRO 28 -8.917 34.530 -17.165 258 HB2 PRO 28 HB2 PRO 28 -10.622 32.960 -15.752 259 HB3 PRO 28 HB3 PRO 28 -9.343 32.306 -16.782 260 HG2 PRO 28 HG2 PRO 28 -9.375 32.689 -13.813 261 HG3 PRO 28 HG3 PRO 28 -8.783 31.309 -14.756 262 HD2 PRO 28 HD2 PRO 28 -7.127 33.190 -13.731 263 HD3 PRO 28 HD3 PRO 28 -6.785 32.345 -15.254 264 H GLN 29 H GLN 29 -9.115 34.942 -13.657 265 HA GLN 29 HA GLN 29 -11.222 36.956 -14.084 266 HB2 GLN 29 HB2 GLN 29 -12.086 36.431 -11.866 267 HB3 GLN 29 HB3 GLN 29 -12.063 34.990 -12.874 268 HG2 GLN 29 HG2 GLN 29 -9.598 35.032 -11.553 269 HG3 GLN 29 HG3 GLN 29 -10.805 35.466 -10.344 270 HE21 GLN 29 HE21 GLN 29 -9.180 33.038 -10.657 271 HE22 GLN 29 HE22 GLN 29 -10.305 31.729 -10.724 272 H TYR 30 H TYR 30 -8.094 36.307 -12.923 273 HA TYR 30 HA TYR 30 -7.802 38.209 -10.895 274 HB2 TYR 30 HB2 TYR 30 -6.032 36.691 -11.098 275 HB3 TYR 30 HB3 TYR 30 -5.885 36.948 -12.833 276 HD1 TYR 30 HD1 TYR 30 -4.619 38.812 -13.713 277 HD2 TYR 30 HD2 TYR 30 -5.051 38.271 -9.515 278 HE1 TYR 30 HE1 TYR 30 -2.814 40.436 -13.324 279 HE2 TYR 30 HE2 TYR 30 -3.248 39.895 -9.115 280 HH TYR 30 HH TYR 30 -1.065 40.720 -11.001 281 H LEU 31 H LEU 31 -6.911 38.517 -14.337 282 HA LEU 31 HA LEU 31 -6.642 41.386 -14.065 283 HB2 LEU 31 HB2 LEU 31 -6.211 41.205 -16.576 284 HB3 LEU 31 HB3 LEU 31 -5.038 40.477 -15.480 285 HG LEU 31 HG LEU 31 -5.975 38.266 -15.944 286 HD11 LEU 31 HD11 LEU 31 -8.211 38.510 -16.429 287 HD12 LEU 31 HD12 LEU 31 -7.532 38.234 -18.033 288 HD13 LEU 31 HD13 LEU 31 -7.938 39.871 -17.518 289 HD21 LEU 31 HD21 LEU 31 -5.610 39.145 -18.695 290 HD22 LEU 31 HD22 LEU 31 -4.636 38.047 -17.717 291 HD23 LEU 31 HD23 LEU 31 -4.389 39.790 -17.598 292 H LYS 32 H LYS 32 -9.251 39.538 -14.175 293 HA LYS 32 HA LYS 32 -10.734 41.186 -16.099 294 HB2 LYS 32 HB2 LYS 32 -10.821 38.611 -16.101 295 HB3 LYS 32 HB3 LYS 32 -11.817 38.774 -14.661 296 HG2 LYS 32 HG2 LYS 32 -13.538 39.844 -15.836 297 HG3 LYS 32 HG3 LYS 32 -12.497 40.181 -17.221 298 HD2 LYS 32 HD2 LYS 32 -13.110 37.368 -16.371 299 HD3 LYS 32 HD3 LYS 32 -14.204 38.269 -17.423 300 HE2 LYS 32 HE2 LYS 32 -11.903 38.725 -18.706 301 HE3 LYS 32 HE3 LYS 32 -11.506 37.175 -17.965 302 HZ1 LYS 32 HZ1 LYS 32 -14.075 37.435 -19.348 303 HZ2 LYS 32 HZ2 LYS 32 -13.069 36.084 -19.187 304 HZ3 LYS 32 HZ3 LYS 32 -12.674 37.305 -20.289 305 H THR 33 H THR 33 -10.681 40.181 -12.719 306 HA THR 33 HA THR 33 -12.937 41.915 -12.089 307 HB THR 33 HB THR 33 -12.720 39.648 -11.041 308 HG1 THR 33 HG1 THR 33 -13.997 41.187 -10.003 309 HG21 THR 33 HG21 THR 33 -10.135 40.177 -10.676 310 HG22 THR 33 HG22 THR 33 -11.024 39.072 -9.627 311 HG23 THR 33 HG23 THR 33 -10.738 40.735 -9.116 312 H VAL 34 H VAL 34 -9.463 41.727 -11.615 313 HA VAL 34 HA VAL 34 -9.281 43.881 -9.763 314 HB VAL 34 HB VAL 34 -7.208 42.634 -11.569 315 HG11 VAL 34 HG11 VAL 34 -5.957 44.436 -11.174 316 HG12 VAL 34 HG12 VAL 34 -7.108 45.070 -9.996 317 HG13 VAL 34 HG13 VAL 34 -5.885 43.901 -9.495 318 HG21 VAL 34 HG21 VAL 34 -7.372 42.424 -8.582 319 HG22 VAL 34 HG22 VAL 34 -8.292 41.340 -9.626 320 HG23 VAL 34 HG23 VAL 34 -6.532 41.375 -9.725 321 H TYR 35 H TYR 35 -8.889 43.628 -13.276 322 HA TYR 35 HA TYR 35 -8.043 46.242 -13.776 323 HB2 TYR 35 HB2 TYR 35 -8.374 44.097 -15.334 324 HB3 TYR 35 HB3 TYR 35 -9.862 44.944 -15.743 325 HD1 TYR 35 HD1 TYR 35 -6.308 44.765 -16.250 326 HD2 TYR 35 HD2 TYR 35 -9.701 47.301 -16.644 327 HE1 TYR 35 HE1 TYR 35 -5.060 46.179 -17.829 328 HE2 TYR 35 HE2 TYR 35 -8.464 48.721 -18.226 329 HH TYR 35 HH TYR 35 -6.597 48.943 -19.430 330 H GLN 36 H GLN 36 -11.128 45.021 -12.871 331 HA GLN 36 HA GLN 36 -12.455 47.518 -13.648 332 HB2 GLN 36 HB2 GLN 36 -13.321 44.981 -13.950 333 HB3 GLN 36 HB3 GLN 36 -14.011 45.345 -12.374 334 HG2 GLN 36 HG2 GLN 36 -15.111 47.319 -13.327 335 HG3 GLN 36 HG3 GLN 36 -14.447 46.910 -14.908 336 HE21 GLN 36 HE21 GLN 36 -16.585 46.799 -15.709 337 HE22 GLN 36 HE22 GLN 36 -17.575 45.415 -15.410 338 H HIS 37 H HIS 37 -11.761 45.480 -10.850 339 HA HIS 37 HA HIS 37 -13.025 47.345 -9.028 340 HB2 HIS 37 HB2 HIS 37 -11.619 44.709 -8.708 341 HB3 HIS 37 HB3 HIS 37 -11.959 45.718 -7.305 342 HD1 HIS 37 HD1 HIS 37 -14.312 45.692 -6.401 343 HD2 HIS 37 HD2 HIS 37 -13.966 43.745 -10.055 344 HE1 HIS 37 HE1 HIS 37 -16.517 44.537 -6.758 345 H GLN 38 H GLN 38 -9.804 45.857 -8.811 346 HA GLN 38 HA GLN 38 -8.758 48.268 -7.605 347 HB2 GLN 38 HB2 GLN 38 -7.963 46.307 -6.585 348 HB3 GLN 38 HB3 GLN 38 -7.645 45.527 -8.129 349 HG2 GLN 38 HG2 GLN 38 -5.591 46.380 -8.270 350 HG3 GLN 38 HG3 GLN 38 -6.117 47.976 -7.735 351 HE21 GLN 38 HE21 GLN 38 -4.860 44.898 -6.775 352 HE22 GLN 38 HE22 GLN 38 -4.478 45.327 -5.146 353 H LYS 39 H LYS 39 -8.705 49.821 -9.204 354 HA LYS 39 HA LYS 39 -7.865 51.012 -10.949 355 HB2 LYS 39 HB2 LYS 39 -5.720 50.288 -9.770 356 HB3 LYS 39 HB3 LYS 39 -5.580 49.045 -11.006 357 HG2 LYS 39 HG2 LYS 39 -5.989 51.815 -11.950 358 HG3 LYS 39 HG3 LYS 39 -4.430 51.441 -11.210 359 HD2 LYS 39 HD2 LYS 39 -3.924 49.822 -12.821 360 HD3 LYS 39 HD3 LYS 39 -5.606 49.682 -13.339 361 HE2 LYS 39 HE2 LYS 39 -4.977 51.018 -15.028 362 HE3 LYS 39 HE3 LYS 39 -5.097 52.310 -13.835 363 HZ1 LYS 39 HZ1 LYS 39 -2.929 52.664 -13.981 364 HZ2 LYS 39 HZ2 LYS 39 -2.855 51.554 -15.255 365 HZ3 LYS 39 HZ3 LYS 39 -2.572 51.040 -13.668 Start of MODEL 8 1 H1 LYS 1 H LYS 1 4.776 1.036 3.573 2 HA LYS 1 HA LYS 1 6.796 -0.322 1.913 3 HB2 LYS 1 HB2 LYS 1 5.212 -2.264 1.939 4 HB3 LYS 1 HB3 LYS 1 5.903 -1.868 3.507 5 HG2 LYS 1 HG2 LYS 1 3.320 -0.596 2.867 6 HG3 LYS 1 HG3 LYS 1 3.298 -2.345 3.109 7 HD2 LYS 1 HD2 LYS 1 4.879 -0.937 5.112 8 HD3 LYS 1 HD3 LYS 1 3.188 -0.432 5.090 9 HE2 LYS 1 HE2 LYS 1 3.472 -2.271 6.632 10 HE3 LYS 1 HE3 LYS 1 2.510 -2.797 5.252 11 HZ1 LYS 1 HZ1 LYS 1 4.346 -3.953 4.355 12 HZ2 LYS 1 HZ2 LYS 1 4.286 -4.374 5.992 13 HZ3 LYS 1 HZ3 LYS 1 5.432 -3.254 5.448 14 H THR 2 H THR 2 6.284 1.617 0.492 15 HA THR 2 HA THR 2 4.593 0.745 -1.634 16 HB THR 2 HB THR 2 3.453 3.236 -1.367 17 HG1 THR 2 HG1 THR 2 3.623 3.707 0.693 18 HG21 THR 2 HG21 THR 2 2.640 0.461 -1.225 19 HG22 THR 2 HG22 THR 2 1.795 1.845 -1.919 20 HG23 THR 2 HG23 THR 2 1.629 1.481 -0.202 21 H LYS 3 H LYS 3 4.510 2.440 -3.412 22 HA LYS 3 HA LYS 3 7.022 3.984 -3.404 23 HB2 LYS 3 HB2 LYS 3 5.694 2.387 -5.580 24 HB3 LYS 3 HB3 LYS 3 6.844 3.663 -5.960 25 HG2 LYS 3 HG2 LYS 3 8.529 2.504 -4.574 26 HG3 LYS 3 HG3 LYS 3 7.374 1.194 -4.319 27 HD2 LYS 3 HD2 LYS 3 7.385 0.614 -6.615 28 HD3 LYS 3 HD3 LYS 3 8.226 2.102 -7.060 29 HE2 LYS 3 HE2 LYS 3 9.626 0.395 -5.115 30 HE3 LYS 3 HE3 LYS 3 9.433 -0.302 -6.723 31 HZ1 LYS 3 HZ1 LYS 3 10.423 2.454 -6.442 32 HZ2 LYS 3 HZ2 LYS 3 10.699 1.339 -7.683 33 HZ3 LYS 3 HZ3 LYS 3 11.484 1.159 -6.195 34 H LEU 4 H LEU 4 4.762 5.177 -2.415 35 HA LEU 4 HA LEU 4 3.699 6.823 -4.594 36 HB2 LEU 4 HB2 LEU 4 2.569 5.729 -2.263 37 HB3 LEU 4 HB3 LEU 4 2.618 7.473 -2.018 38 HG LEU 4 HG LEU 4 1.477 7.599 -4.334 39 HD11 LEU 4 HD11 LEU 4 -0.071 5.365 -4.254 40 HD12 LEU 4 HD12 LEU 4 1.508 4.718 -3.811 41 HD13 LEU 4 HD13 LEU 4 1.310 5.599 -5.326 42 HD21 LEU 4 HD21 LEU 4 0.550 7.575 -1.731 43 HD22 LEU 4 HD22 LEU 4 -0.517 6.447 -2.567 44 HD23 LEU 4 HD23 LEU 4 -0.346 8.101 -3.156 45 H THR 5 H THR 5 5.518 7.011 -1.592 46 HA THR 5 HA THR 5 5.608 9.741 -1.182 47 HB THR 5 HB THR 5 8.083 9.166 -0.404 48 HG1 THR 5 HG1 THR 5 8.444 7.146 -1.033 49 HG21 THR 5 HG21 THR 5 7.107 8.260 1.716 50 HG22 THR 5 HG22 THR 5 5.543 8.193 0.904 51 HG23 THR 5 HG23 THR 5 6.346 9.744 1.145 52 H GLU 6 H GLU 6 7.487 7.774 -3.428 53 HA GLU 6 HA GLU 6 9.239 9.860 -4.243 54 HB2 GLU 6 HB2 GLU 6 8.846 7.083 -4.840 55 HB3 GLU 6 HB3 GLU 6 8.972 7.983 -6.345 56 HG2 GLU 6 HG2 GLU 6 11.091 8.938 -5.602 57 HG3 GLU 6 HG3 GLU 6 10.966 8.039 -4.091 58 H GLU 7 H GLU 7 6.651 8.254 -6.104 59 HA GLU 7 HA GLU 7 6.502 10.010 -8.207 60 HB2 GLU 7 HB2 GLU 7 5.064 7.821 -7.400 61 HB3 GLU 7 HB3 GLU 7 3.868 9.104 -7.275 62 HG2 GLU 7 HG2 GLU 7 4.623 9.734 -9.656 63 HG3 GLU 7 HG3 GLU 7 5.327 8.119 -9.690 64 H GLU 8 H GLU 8 4.982 10.293 -5.033 65 HA GLU 8 HA GLU 8 3.279 12.415 -5.436 66 HB2 GLU 8 HB2 GLU 8 3.502 11.166 -3.311 67 HB3 GLU 8 HB3 GLU 8 5.034 11.975 -3.014 68 HG2 GLU 8 HG2 GLU 8 3.923 14.114 -2.879 69 HG3 GLU 8 HG3 GLU 8 2.380 13.367 -3.288 70 H LYS 9 H LYS 9 6.711 12.609 -4.500 71 HA LYS 9 HA LYS 9 6.921 15.394 -4.508 72 HB2 LYS 9 HB2 LYS 9 8.722 14.315 -3.516 73 HB3 LYS 9 HB3 LYS 9 8.881 13.153 -4.827 74 HG2 LYS 9 HG2 LYS 9 10.744 14.709 -4.802 75 HG3 LYS 9 HG3 LYS 9 9.787 14.895 -6.273 76 HD2 LYS 9 HD2 LYS 9 10.249 17.087 -5.538 77 HD3 LYS 9 HD3 LYS 9 8.576 16.777 -5.069 78 HE2 LYS 9 HE2 LYS 9 9.561 16.041 -2.814 79 HE3 LYS 9 HE3 LYS 9 11.032 16.853 -3.346 80 HZ1 LYS 9 HZ1 LYS 9 9.007 18.643 -3.827 81 HZ2 LYS 9 HZ2 LYS 9 10.135 18.711 -2.569 82 HZ3 LYS 9 HZ3 LYS 9 8.631 17.978 -2.317 83 H ASN 10 H ASN 10 7.404 13.046 -7.115 84 HA ASN 10 HA ASN 10 8.366 14.790 -9.069 85 HB2 ASN 10 HB2 ASN 10 6.735 12.257 -9.292 86 HB3 ASN 10 HB3 ASN 10 7.384 13.104 -10.694 87 HD21 ASN 10 HD21 ASN 10 8.248 11.474 -7.705 88 HD22 ASN 10 HD22 ASN 10 9.839 11.016 -8.199 89 H ARG 11 H ARG 11 5.180 14.370 -7.790 90 HA ARG 11 HA ARG 11 3.848 15.683 -9.987 91 HB2 ARG 11 HB2 ARG 11 2.932 13.921 -8.236 92 HB3 ARG 11 HB3 ARG 11 2.570 15.370 -7.308 93 HG2 ARG 11 HG2 ARG 11 1.507 16.119 -9.623 94 HG3 ARG 11 HG3 ARG 11 1.365 14.370 -9.819 95 HD2 ARG 11 HD2 ARG 11 -0.650 15.314 -8.817 96 HD3 ARG 11 HD3 ARG 11 0.168 14.223 -7.699 97 HE ARG 11 HE ARG 11 1.146 16.677 -7.055 98 HH11 ARG 11 HH11 ARG 11 -2.741 16.367 -6.148 99 HH12 ARG 11 HH12 ARG 11 -2.051 15.330 -7.351 100 HH21 ARG 11 HH21 ARG 11 -1.433 17.914 -5.078 101 HH22 ARG 11 HH22 ARG 11 0.248 18.049 -5.469 102 H LEU 12 H LEU 12 4.762 16.506 -6.661 103 HA LEU 12 HA LEU 12 3.623 18.982 -6.388 104 HB2 LEU 12 HB2 LEU 12 6.442 18.411 -5.520 105 HB3 LEU 12 HB3 LEU 12 5.263 19.476 -4.758 106 HG LEU 12 HG LEU 12 5.279 16.462 -4.762 107 HD11 LEU 12 HD11 LEU 12 5.363 18.423 -2.478 108 HD12 LEU 12 HD12 LEU 12 6.786 17.652 -3.178 109 HD13 LEU 12 HD13 LEU 12 5.547 16.671 -2.395 110 HD21 LEU 12 HD21 LEU 12 2.994 17.263 -5.059 111 HD22 LEU 12 HD22 LEU 12 3.184 18.345 -3.680 112 HD23 LEU 12 HD23 LEU 12 3.227 16.597 -3.443 113 H ASN 13 H ASN 13 6.882 18.351 -7.696 114 HA ASN 13 HA ASN 13 7.568 20.929 -8.392 115 HB2 ASN 13 HB2 ASN 13 8.235 18.486 -10.043 116 HB3 ASN 13 HB3 ASN 13 9.163 19.978 -9.922 117 HD21 ASN 13 HD21 ASN 13 8.951 16.864 -8.885 118 HD22 ASN 13 HD22 ASN 13 9.899 16.976 -7.445 119 H PHE 14 H PHE 14 5.470 18.675 -10.068 120 HA PHE 14 HA PHE 14 5.291 20.067 -12.517 121 HB2 PHE 14 HB2 PHE 14 4.526 17.663 -11.921 122 HB3 PHE 14 HB3 PHE 14 3.036 18.432 -11.386 123 HD1 PHE 14 HD1 PHE 14 1.324 18.675 -12.897 124 HD2 PHE 14 HD2 PHE 14 5.318 18.361 -14.333 125 HE1 PHE 14 HE1 PHE 14 0.488 18.668 -15.212 126 HE2 PHE 14 HE2 PHE 14 4.489 18.355 -16.649 127 HZ PHE 14 HZ PHE 14 2.071 18.509 -17.091 128 H LEU 15 H LEU 15 2.728 19.797 -10.054 129 HA LEU 15 HA LEU 15 1.115 21.834 -10.946 130 HB2 LEU 15 HB2 LEU 15 1.578 20.549 -8.318 131 HB3 LEU 15 HB3 LEU 15 0.681 22.066 -8.321 132 HG LEU 15 HG LEU 15 -0.240 20.001 -10.225 133 HD11 LEU 15 HD11 LEU 15 -0.108 19.572 -7.299 134 HD12 LEU 15 HD12 LEU 15 -0.110 18.405 -8.621 135 HD13 LEU 15 HD13 LEU 15 -1.619 19.159 -8.109 136 HD21 LEU 15 HD21 LEU 15 -1.912 21.493 -8.254 137 HD22 LEU 15 HD22 LEU 15 -2.295 20.984 -9.899 138 HD23 LEU 15 HD23 LEU 15 -1.213 22.351 -9.628 139 H LYS 16 H LYS 16 4.031 22.048 -9.017 140 HA LYS 16 HA LYS 16 3.789 24.706 -8.151 141 HB2 LYS 16 HB2 LYS 16 5.977 22.738 -8.426 142 HB3 LYS 16 HB3 LYS 16 6.473 24.425 -8.405 143 HG2 LYS 16 HG2 LYS 16 5.143 24.680 -6.288 144 HG3 LYS 16 HG3 LYS 16 4.959 22.925 -6.286 145 HD2 LYS 16 HD2 LYS 16 7.306 22.596 -6.085 146 HD3 LYS 16 HD3 LYS 16 7.636 24.301 -6.404 147 HE2 LYS 16 HE2 LYS 16 6.383 24.842 -4.304 148 HE3 LYS 16 HE3 LYS 16 6.313 23.113 -3.971 149 HZ1 LYS 16 HZ1 LYS 16 8.960 24.047 -4.576 150 HZ2 LYS 16 HZ2 LYS 16 8.419 23.097 -3.286 151 HZ3 LYS 16 HZ3 LYS 16 8.302 24.782 -3.202 152 H LYS 17 H LYS 17 5.446 23.369 -11.004 153 HA LYS 17 HA LYS 17 6.050 25.976 -12.051 154 HB2 LYS 17 HB2 LYS 17 6.829 23.282 -12.587 155 HB3 LYS 17 HB3 LYS 17 6.239 23.993 -14.084 156 HG2 LYS 17 HG2 LYS 17 7.840 25.739 -13.989 157 HG3 LYS 17 HG3 LYS 17 8.296 25.317 -12.337 158 HD2 LYS 17 HD2 LYS 17 9.000 23.058 -13.279 159 HD3 LYS 17 HD3 LYS 17 8.849 23.798 -14.874 160 HE2 LYS 17 HE2 LYS 17 10.378 25.643 -13.879 161 HE3 LYS 17 HE3 LYS 17 10.771 24.426 -12.667 162 HZ1 LYS 17 HZ1 LYS 17 11.778 23.079 -14.215 163 HZ2 LYS 17 HZ2 LYS 17 12.199 24.612 -14.794 164 HZ3 LYS 17 HZ3 LYS 17 10.941 23.748 -15.525 165 H ILE 18 H ILE 18 3.352 23.903 -12.129 166 HA ILE 18 HA ILE 18 2.294 24.692 -14.663 167 HB ILE 18 HB ILE 18 1.109 23.306 -12.275 168 HG12 ILE 18 HG12 ILE 18 2.636 22.122 -13.911 169 HG13 ILE 18 HG13 ILE 18 1.047 21.394 -13.699 170 HG21 ILE 18 HG21 ILE 18 -0.863 22.962 -13.978 171 HG22 ILE 18 HG22 ILE 18 -0.804 24.380 -12.932 172 HG23 ILE 18 HG23 ILE 18 -0.289 24.504 -14.614 173 HD11 ILE 18 HD11 ILE 18 2.119 21.752 -16.080 174 HD12 ILE 18 HD12 ILE 18 0.383 21.905 -15.810 175 HD13 ILE 18 HD13 ILE 18 1.392 23.348 -15.900 176 H SER 19 H SER 19 1.325 25.479 -11.319 177 HA SER 19 HA SER 19 -0.499 27.504 -12.083 178 HB2 SER 19 HB2 SER 19 0.619 26.458 -9.567 179 HB3 SER 19 HB3 SER 19 0.157 28.159 -9.512 180 HG SER 19 HG SER 19 -1.484 26.381 -9.063 181 H GLN 20 H GLN 20 2.872 27.436 -12.016 182 HA GLN 20 HA GLN 20 3.138 30.318 -11.618 183 HB2 GLN 20 HB2 GLN 20 5.071 28.031 -11.742 184 HB3 GLN 20 HB3 GLN 20 5.640 29.674 -12.004 185 HG2 GLN 20 HG2 GLN 20 4.920 30.344 -9.828 186 HG3 GLN 20 HG3 GLN 20 4.115 28.797 -9.566 187 HE21 GLN 20 HE21 GLN 20 5.458 28.841 -7.607 188 HE22 GLN 20 HE22 GLN 20 7.067 28.220 -7.701 189 H ARG 21 H ARG 21 3.804 27.840 -14.068 190 HA ARG 21 HA ARG 21 4.663 29.746 -16.028 191 HB2 ARG 21 HB2 ARG 21 5.534 27.497 -16.126 192 HB3 ARG 21 HB3 ARG 21 3.912 26.828 -16.242 193 HG2 ARG 21 HG2 ARG 21 3.647 27.516 -18.441 194 HG3 ARG 21 HG3 ARG 21 4.929 28.723 -18.319 195 HD2 ARG 21 HD2 ARG 21 5.861 26.990 -19.592 196 HD3 ARG 21 HD3 ARG 21 6.514 26.755 -17.971 197 HE ARG 21 HE ARG 21 5.440 24.744 -17.885 198 HH11 ARG 21 HH11 ARG 21 2.965 25.406 -20.961 199 HH12 ARG 21 HH12 ARG 21 3.989 26.680 -20.387 200 HH21 ARG 21 HH21 ARG 21 3.027 23.346 -19.961 201 HH22 ARG 21 HH22 ARG 21 4.097 23.057 -18.631 202 H TYR 22 H TYR 22 1.660 28.098 -15.254 203 HA TYR 22 HA TYR 22 0.261 28.807 -17.613 204 HB2 TYR 22 HB2 TYR 22 -0.491 26.985 -16.164 205 HB3 TYR 22 HB3 TYR 22 -0.796 28.128 -14.861 206 HD1 TYR 22 HD1 TYR 22 -1.775 27.490 -18.409 207 HD2 TYR 22 HD2 TYR 22 -2.943 28.947 -14.586 208 HE1 TYR 22 HE1 TYR 22 -4.069 27.810 -19.238 209 HE2 TYR 22 HE2 TYR 22 -5.240 29.270 -15.404 210 HH TYR 22 HH TYR 22 -6.587 27.941 -17.680 211 H GLN 23 H GLN 23 0.294 30.222 -14.348 212 HA GLN 23 HA GLN 23 -1.385 32.417 -15.103 213 HB2 GLN 23 HB2 GLN 23 -0.424 31.301 -12.689 214 HB3 GLN 23 HB3 GLN 23 0.129 32.970 -12.729 215 HG2 GLN 23 HG2 GLN 23 -2.279 33.577 -13.299 216 HG3 GLN 23 HG3 GLN 23 -2.681 31.931 -12.809 217 HE21 GLN 23 HE21 GLN 23 -0.505 34.438 -11.549 218 HE22 GLN 23 HE22 GLN 23 -1.124 34.406 -9.937 219 H LYS 24 H LYS 24 1.723 31.726 -15.868 220 HA LYS 24 HA LYS 24 2.902 34.328 -15.509 221 HB2 LYS 24 HB2 LYS 24 3.772 31.693 -16.376 222 HB3 LYS 24 HB3 LYS 24 4.421 32.963 -17.404 223 HG2 LYS 24 HG2 LYS 24 4.636 33.630 -14.594 224 HG3 LYS 24 HG3 LYS 24 5.446 32.111 -14.985 225 HD2 LYS 24 HD2 LYS 24 6.381 33.506 -17.008 226 HD3 LYS 24 HD3 LYS 24 6.007 34.875 -15.958 227 HE2 LYS 24 HE2 LYS 24 7.277 33.316 -14.195 228 HE3 LYS 24 HE3 LYS 24 8.058 32.757 -15.674 229 HZ1 LYS 24 HZ1 LYS 24 7.939 35.556 -14.691 230 HZ2 LYS 24 HZ2 LYS 24 8.595 35.089 -16.178 231 HZ3 LYS 24 HZ3 LYS 24 9.306 34.561 -14.738 232 H PHE 25 H PHE 25 1.515 32.490 -18.194 233 HA PHE 25 HA PHE 25 1.615 34.938 -19.831 234 HB2 PHE 25 HB2 PHE 25 1.756 33.608 -21.786 235 HB3 PHE 25 HB3 PHE 25 2.883 32.881 -20.645 236 HD1 PHE 25 HD1 PHE 25 2.455 30.713 -19.681 237 HD2 PHE 25 HD2 PHE 25 -0.300 32.487 -22.397 238 HE1 PHE 25 HE1 PHE 25 1.331 28.541 -19.953 239 HE2 PHE 25 HE2 PHE 25 -1.429 30.318 -22.673 240 HZ PHE 25 HZ PHE 25 -0.615 28.342 -21.450 241 H ALA 26 H ALA 26 -0.380 32.317 -18.653 242 HA ALA 26 HA ALA 26 -2.713 33.250 -20.114 243 HB1 ALA 26 HB1 ALA 26 -3.681 31.256 -19.632 244 HB2 ALA 26 HB2 ALA 26 -1.995 30.777 -19.425 245 HB3 ALA 26 HB3 ALA 26 -2.978 31.178 -18.016 246 H LEU 27 H LEU 27 -3.667 35.029 -19.356 247 HA LEU 27 HA LEU 27 -4.243 35.164 -16.474 248 HB2 LEU 27 HB2 LEU 27 -3.492 37.483 -18.248 249 HB3 LEU 27 HB3 LEU 27 -3.947 37.587 -16.548 250 HG LEU 27 HG LEU 27 -1.615 37.798 -16.569 251 HD11 LEU 27 HD11 LEU 27 -2.809 35.689 -15.287 252 HD12 LEU 27 HD12 LEU 27 -1.171 36.276 -14.999 253 HD13 LEU 27 HD13 LEU 27 -1.442 34.926 -16.101 254 HD21 LEU 27 HD21 LEU 27 -0.721 35.417 -17.872 255 HD22 LEU 27 HD22 LEU 27 -0.363 37.099 -18.261 256 HD23 LEU 27 HD23 LEU 27 -1.780 36.314 -18.959 257 HA PRO 28 HA PRO 28 -8.012 35.676 -19.280 258 HB2 PRO 28 HB2 PRO 28 -9.319 33.438 -18.471 259 HB3 PRO 28 HB3 PRO 28 -8.186 33.451 -19.828 260 HG2 PRO 28 HG2 PRO 28 -7.741 32.584 -16.998 261 HG3 PRO 28 HG3 PRO 28 -7.210 31.809 -18.502 262 HD2 PRO 28 HD2 PRO 28 -5.560 33.327 -16.984 263 HD3 PRO 28 HD3 PRO 28 -5.417 33.235 -18.751 264 H GLN 29 H GLN 29 -7.634 34.597 -15.932 265 HA GLN 29 HA GLN 29 -9.941 36.280 -15.205 266 HB2 GLN 29 HB2 GLN 29 -10.330 34.777 -13.305 267 HB3 GLN 29 HB3 GLN 29 -10.434 33.918 -14.837 268 HG2 GLN 29 HG2 GLN 29 -7.765 33.708 -14.026 269 HG3 GLN 29 HG3 GLN 29 -8.735 33.427 -12.582 270 HE21 GLN 29 HE21 GLN 29 -10.601 31.898 -12.919 271 HE22 GLN 29 HE22 GLN 29 -10.292 30.493 -13.874 272 H TYR 30 H TYR 30 -6.617 35.647 -14.797 273 HA TYR 30 HA TYR 30 -6.127 36.578 -12.216 274 HB2 TYR 30 HB2 TYR 30 -4.431 35.483 -13.641 275 HB3 TYR 30 HB3 TYR 30 -4.376 36.917 -14.661 276 HD1 TYR 30 HD1 TYR 30 -3.929 35.894 -11.098 277 HD2 TYR 30 HD2 TYR 30 -2.784 38.542 -14.226 278 HE1 TYR 30 HE1 TYR 30 -2.195 36.855 -9.642 279 HE2 TYR 30 HE2 TYR 30 -1.046 39.509 -12.779 280 HH TYR 30 HH TYR 30 -0.775 39.688 -10.097 281 H LEU 31 H LEU 31 -5.929 38.417 -15.268 282 HA LEU 31 HA LEU 31 -5.846 40.920 -13.813 283 HB2 LEU 31 HB2 LEU 31 -5.883 41.861 -16.192 284 HB3 LEU 31 HB3 LEU 31 -4.465 40.949 -15.679 285 HG LEU 31 HG LEU 31 -5.264 39.001 -16.923 286 HD11 LEU 31 HD11 LEU 31 -7.604 40.790 -17.479 287 HD12 LEU 31 HD12 LEU 31 -7.591 39.129 -16.888 288 HD13 LEU 31 HD13 LEU 31 -7.174 39.470 -18.567 289 HD21 LEU 31 HD21 LEU 31 -4.872 41.623 -18.293 290 HD22 LEU 31 HD22 LEU 31 -5.256 40.193 -19.251 291 HD23 LEU 31 HD23 LEU 31 -3.814 40.213 -18.234 292 H LYS 32 H LYS 32 -8.267 38.906 -14.362 293 HA LYS 32 HA LYS 32 -10.214 40.953 -15.163 294 HB2 LYS 32 HB2 LYS 32 -10.082 38.629 -16.274 295 HB3 LYS 32 HB3 LYS 32 -10.814 38.028 -14.792 296 HG2 LYS 32 HG2 LYS 32 -12.762 39.391 -15.137 297 HG3 LYS 32 HG3 LYS 32 -12.016 40.168 -16.536 298 HD2 LYS 32 HD2 LYS 32 -11.823 37.557 -17.237 299 HD3 LYS 32 HD3 LYS 32 -13.317 37.539 -16.297 300 HE2 LYS 32 HE2 LYS 32 -13.534 39.798 -17.893 301 HE3 LYS 32 HE3 LYS 32 -12.802 38.591 -18.949 302 HZ1 LYS 32 HZ1 LYS 32 -15.203 38.502 -19.071 303 HZ2 LYS 32 HZ2 LYS 32 -15.315 38.253 -17.402 304 HZ3 LYS 32 HZ3 LYS 32 -14.607 37.074 -18.387 305 H THR 33 H THR 33 -9.365 38.742 -12.570 306 HA THR 33 HA THR 33 -11.620 39.676 -10.959 307 HB THR 33 HB THR 33 -11.113 37.237 -11.040 308 HG1 THR 33 HG1 THR 33 -11.284 36.990 -8.752 309 HG21 THR 33 HG21 THR 33 -8.828 37.598 -9.187 310 HG22 THR 33 HG22 THR 33 -8.521 37.888 -10.899 311 HG23 THR 33 HG23 THR 33 -9.140 36.325 -10.367 312 H VAL 34 H VAL 34 -8.111 39.762 -11.087 313 HA VAL 34 HA VAL 34 -7.746 40.950 -8.522 314 HB VAL 34 HB VAL 34 -5.917 40.868 -10.924 315 HG11 VAL 34 HG11 VAL 34 -5.265 42.731 -9.572 316 HG12 VAL 34 HG12 VAL 34 -5.398 41.772 -8.096 317 HG13 VAL 34 HG13 VAL 34 -4.130 41.416 -9.271 318 HG21 VAL 34 HG21 VAL 34 -5.559 39.307 -8.399 319 HG22 VAL 34 HG22 VAL 34 -6.655 38.725 -9.652 320 HG23 VAL 34 HG23 VAL 34 -4.948 38.971 -10.019 321 H TYR 35 H TYR 35 -8.343 42.175 -11.737 322 HA TYR 35 HA TYR 35 -7.613 44.877 -11.188 323 HB2 TYR 35 HB2 TYR 35 -8.005 43.556 -13.473 324 HB3 TYR 35 HB3 TYR 35 -9.612 44.256 -13.307 325 HD1 TYR 35 HD1 TYR 35 -9.956 46.645 -13.509 326 HD2 TYR 35 HD2 TYR 35 -6.056 44.976 -13.837 327 HE1 TYR 35 HE1 TYR 35 -9.135 48.765 -14.448 328 HE2 TYR 35 HE2 TYR 35 -5.224 47.092 -14.776 329 HH TYR 35 HH TYR 35 -6.867 49.959 -14.590 330 H GLN 36 H GLN 36 -10.416 42.960 -10.600 331 HA GLN 36 HA GLN 36 -12.063 45.324 -10.081 332 HB2 GLN 36 HB2 GLN 36 -12.741 43.028 -11.301 333 HB3 GLN 36 HB3 GLN 36 -13.151 42.599 -9.646 334 HG2 GLN 36 HG2 GLN 36 -15.123 43.525 -10.111 335 HG3 GLN 36 HG3 GLN 36 -14.286 45.056 -9.857 336 HE21 GLN 36 HE21 GLN 36 -15.911 43.055 -12.073 337 HE22 GLN 36 HE22 GLN 36 -15.725 44.051 -13.472 338 H HIS 37 H HIS 37 -10.701 42.495 -8.471 339 HA HIS 37 HA HIS 37 -11.861 43.113 -5.924 340 HB2 HIS 37 HB2 HIS 37 -9.856 41.124 -6.921 341 HB3 HIS 37 HB3 HIS 37 -10.009 41.402 -5.188 342 HD1 HIS 37 HD1 HIS 37 -11.867 40.212 -4.016 343 HD2 HIS 37 HD2 HIS 37 -12.319 40.173 -8.145 344 HE1 HIS 37 HE1 HIS 37 -13.814 38.684 -4.465 345 H GLN 38 H GLN 38 -8.435 42.963 -6.914 346 HA GLN 38 HA GLN 38 -7.416 44.349 -4.728 347 HB2 GLN 38 HB2 GLN 38 -6.386 43.207 -7.059 348 HB3 GLN 38 HB3 GLN 38 -5.909 44.897 -7.144 349 HG2 GLN 38 HG2 GLN 38 -5.485 43.455 -4.587 350 HG3 GLN 38 HG3 GLN 38 -4.422 43.083 -5.943 351 HE21 GLN 38 HE21 GLN 38 -3.251 44.853 -6.912 352 HE22 GLN 38 HE22 GLN 38 -2.801 46.210 -5.942 353 H LYS 39 H LYS 39 -7.230 46.442 -4.187 354 HA LYS 39 HA LYS 39 -7.222 48.608 -5.977 355 HB2 LYS 39 HB2 LYS 39 -9.824 47.587 -5.372 356 HB3 LYS 39 HB3 LYS 39 -9.657 49.172 -4.627 357 HG2 LYS 39 HG2 LYS 39 -9.949 50.170 -6.579 358 HG3 LYS 39 HG3 LYS 39 -8.620 49.254 -7.293 359 HD2 LYS 39 HD2 LYS 39 -10.004 47.712 -8.223 360 HD3 LYS 39 HD3 LYS 39 -11.175 47.811 -6.906 361 HE2 LYS 39 HE2 LYS 39 -12.453 49.130 -8.153 362 HE3 LYS 39 HE3 LYS 39 -11.153 50.319 -8.220 363 HZ1 LYS 39 HZ1 LYS 39 -11.080 49.915 -10.386 364 HZ2 LYS 39 HZ2 LYS 39 -12.108 48.578 -10.260 365 HZ3 LYS 39 HZ3 LYS 39 -10.442 48.388 -10.031 Start of MODEL 9 1 H1 LYS 1 H LYS 1 9.981 2.051 3.564 2 HA LYS 1 HA LYS 1 9.400 0.052 1.530 3 HB2 LYS 1 HB2 LYS 1 8.203 -0.317 3.908 4 HB3 LYS 1 HB3 LYS 1 7.068 0.822 3.198 5 HG2 LYS 1 HG2 LYS 1 6.100 -0.987 2.325 6 HG3 LYS 1 HG3 LYS 1 7.424 -0.951 1.158 7 HD2 LYS 1 HD2 LYS 1 7.838 -2.347 3.759 8 HD3 LYS 1 HD3 LYS 1 6.865 -3.137 2.516 9 HE2 LYS 1 HE2 LYS 1 8.661 -3.148 0.982 10 HE3 LYS 1 HE3 LYS 1 9.599 -2.018 1.957 11 HZ1 LYS 1 HZ1 LYS 1 10.356 -4.354 2.111 12 HZ2 LYS 1 HZ2 LYS 1 8.881 -4.761 2.831 13 HZ3 LYS 1 HZ3 LYS 1 9.933 -3.688 3.607 14 H THR 2 H THR 2 8.176 0.826 -0.177 15 HA THR 2 HA THR 2 7.811 3.740 -0.201 16 HB THR 2 HB THR 2 7.656 3.413 -2.717 17 HG1 THR 2 HG1 THR 2 7.992 1.460 -3.527 18 HG21 THR 2 HG21 THR 2 9.668 4.305 -1.766 19 HG22 THR 2 HG22 THR 2 10.129 3.092 -2.960 20 HG23 THR 2 HG23 THR 2 10.191 2.706 -1.241 21 H LYS 3 H LYS 3 5.886 4.681 -0.791 22 HA LYS 3 HA LYS 3 3.685 3.395 -1.934 23 HB2 LYS 3 HB2 LYS 3 4.037 2.763 0.822 24 HB3 LYS 3 HB3 LYS 3 2.620 3.794 0.680 25 HG2 LYS 3 HG2 LYS 3 1.540 2.279 -0.768 26 HG3 LYS 3 HG3 LYS 3 3.023 1.357 -1.029 27 HD2 LYS 3 HD2 LYS 3 2.847 1.109 1.622 28 HD3 LYS 3 HD3 LYS 3 1.133 1.322 1.257 29 HE2 LYS 3 HE2 LYS 3 1.020 -0.813 0.661 30 HE3 LYS 3 HE3 LYS 3 2.163 -0.494 -0.642 31 HZ1 LYS 3 HZ1 LYS 3 3.951 -1.154 0.664 32 HZ2 LYS 3 HZ2 LYS 3 2.754 -2.285 1.049 33 HZ3 LYS 3 HZ3 LYS 3 3.091 -1.014 2.114 34 H LEU 4 H LEU 4 3.097 5.183 -3.002 35 HA LEU 4 HA LEU 4 2.512 7.345 -3.446 36 HB2 LEU 4 HB2 LEU 4 0.617 6.306 -2.007 37 HB3 LEU 4 HB3 LEU 4 1.205 7.398 -0.755 38 HG LEU 4 HG LEU 4 -0.734 8.301 -1.964 39 HD11 LEU 4 HD11 LEU 4 1.731 9.896 -2.617 40 HD12 LEU 4 HD12 LEU 4 1.081 9.744 -0.985 41 HD13 LEU 4 HD13 LEU 4 0.111 10.493 -2.253 42 HD21 LEU 4 HD21 LEU 4 0.529 7.264 -4.209 43 HD22 LEU 4 HD22 LEU 4 0.671 9.013 -4.390 44 HD23 LEU 4 HD23 LEU 4 -0.917 8.273 -4.181 45 H THR 5 H THR 5 4.807 7.945 -3.161 46 HA THR 5 HA THR 5 5.015 10.169 -1.334 47 HB THR 5 HB THR 5 5.794 8.512 0.192 48 HG1 THR 5 HG1 THR 5 7.169 10.496 -0.331 49 HG21 THR 5 HG21 THR 5 6.222 6.761 -1.544 50 HG22 THR 5 HG22 THR 5 7.474 6.873 -0.308 51 HG23 THR 5 HG23 THR 5 7.747 7.568 -1.905 52 H GLU 6 H GLU 6 6.719 8.056 -3.619 53 HA GLU 6 HA GLU 6 8.564 10.106 -4.413 54 HB2 GLU 6 HB2 GLU 6 9.251 8.488 -6.151 55 HB3 GLU 6 HB3 GLU 6 9.241 7.784 -4.540 56 HG2 GLU 6 HG2 GLU 6 7.010 6.812 -5.047 57 HG3 GLU 6 HG3 GLU 6 7.184 7.400 -6.700 58 H GLU 7 H GLU 7 5.658 8.639 -5.814 59 HA GLU 7 HA GLU 7 5.726 10.145 -8.219 60 HB2 GLU 7 HB2 GLU 7 4.274 8.002 -7.306 61 HB3 GLU 7 HB3 GLU 7 3.074 9.287 -7.304 62 HG2 GLU 7 HG2 GLU 7 3.946 9.751 -9.704 63 HG3 GLU 7 HG3 GLU 7 4.578 8.109 -9.595 64 H GLU 8 H GLU 8 4.459 10.736 -5.028 65 HA GLU 8 HA GLU 8 2.670 12.819 -5.643 66 HB2 GLU 8 HB2 GLU 8 3.014 11.518 -3.428 67 HB3 GLU 8 HB3 GLU 8 4.249 12.722 -3.089 68 HG2 GLU 8 HG2 GLU 8 1.690 13.844 -3.950 69 HG3 GLU 8 HG3 GLU 8 1.618 12.940 -2.438 70 H LYS 9 H LYS 9 5.996 13.023 -4.366 71 HA LYS 9 HA LYS 9 6.306 15.767 -4.503 72 HB2 LYS 9 HB2 LYS 9 8.540 15.407 -4.103 73 HB3 LYS 9 HB3 LYS 9 7.885 13.847 -3.624 74 HG2 LYS 9 HG2 LYS 9 8.383 13.093 -6.006 75 HG3 LYS 9 HG3 LYS 9 9.349 14.564 -6.140 76 HD2 LYS 9 HD2 LYS 9 9.729 12.542 -3.942 77 HD3 LYS 9 HD3 LYS 9 10.604 12.475 -5.473 78 HE2 LYS 9 HE2 LYS 9 10.604 14.866 -3.639 79 HE3 LYS 9 HE3 LYS 9 11.831 13.600 -3.599 80 HZ1 LYS 9 HZ1 LYS 9 11.821 14.241 -6.192 81 HZ2 LYS 9 HZ2 LYS 9 12.864 14.934 -5.055 82 HZ3 LYS 9 HZ3 LYS 9 11.448 15.743 -5.508 83 H ASN 10 H ASN 10 6.602 13.362 -7.044 84 HA ASN 10 HA ASN 10 7.810 15.008 -8.990 85 HB2 ASN 10 HB2 ASN 10 6.233 12.462 -9.066 86 HB3 ASN 10 HB3 ASN 10 6.586 13.301 -10.573 87 HD21 ASN 10 HD21 ASN 10 7.612 10.922 -8.622 88 HD22 ASN 10 HD22 ASN 10 9.296 10.910 -9.011 89 H ARG 11 H ARG 11 4.467 14.503 -8.039 90 HA ARG 11 HA ARG 11 3.319 15.895 -10.245 91 HB2 ARG 11 HB2 ARG 11 2.258 14.217 -8.510 92 HB3 ARG 11 HB3 ARG 11 1.929 15.689 -7.607 93 HG2 ARG 11 HG2 ARG 11 0.976 16.461 -9.962 94 HG3 ARG 11 HG3 ARG 11 0.764 14.718 -10.148 95 HD2 ARG 11 HD2 ARG 11 -1.240 15.758 -9.221 96 HD3 ARG 11 HD3 ARG 11 -0.507 14.644 -8.067 97 HE ARG 11 HE ARG 11 0.556 17.059 -7.412 98 HH11 ARG 11 HH11 ARG 11 -3.369 16.929 -6.632 99 HH12 ARG 11 HH12 ARG 11 -2.686 15.850 -7.803 100 HH21 ARG 11 HH21 ARG 11 -2.029 18.428 -5.533 101 HH22 ARG 11 HH22 ARG 11 -0.332 18.485 -5.868 102 H LEU 12 H LEU 12 4.217 16.801 -6.947 103 HA LEU 12 HA LEU 12 3.116 19.317 -6.773 104 HB2 LEU 12 HB2 LEU 12 5.894 18.711 -5.809 105 HB3 LEU 12 HB3 LEU 12 4.707 19.806 -5.103 106 HG LEU 12 HG LEU 12 4.703 16.794 -5.034 107 HD11 LEU 12 HD11 LEU 12 4.662 17.220 -2.580 108 HD12 LEU 12 HD12 LEU 12 4.907 18.932 -2.923 109 HD13 LEU 12 HD13 LEU 12 6.139 17.757 -3.383 110 HD21 LEU 12 HD21 LEU 12 2.468 16.984 -5.116 111 HD22 LEU 12 HD22 LEU 12 2.498 18.715 -4.777 112 HD23 LEU 12 HD23 LEU 12 2.632 17.554 -3.455 113 H ASN 13 H ASN 13 6.406 18.565 -7.937 114 HA ASN 13 HA ASN 13 7.173 21.096 -8.708 115 HB2 ASN 13 HB2 ASN 13 7.838 18.558 -10.213 116 HB3 ASN 13 HB3 ASN 13 8.785 20.043 -10.170 117 HD21 ASN 13 HD21 ASN 13 8.594 17.007 -8.991 118 HD22 ASN 13 HD22 ASN 13 9.483 17.200 -7.522 119 H PHE 14 H PHE 14 5.089 18.823 -10.377 120 HA PHE 14 HA PHE 14 5.029 20.120 -12.881 121 HB2 PHE 14 HB2 PHE 14 4.172 17.762 -12.196 122 HB3 PHE 14 HB3 PHE 14 2.681 18.602 -11.784 123 HD1 PHE 14 HD1 PHE 14 5.104 18.855 -14.613 124 HD2 PHE 14 HD2 PHE 14 1.073 18.269 -13.379 125 HE1 PHE 14 HE1 PHE 14 4.401 18.752 -16.969 126 HE2 PHE 14 HE2 PHE 14 0.364 18.163 -15.732 127 HZ PHE 14 HZ PHE 14 2.029 18.404 -17.531 128 H LEU 15 H LEU 15 2.369 20.013 -10.510 129 HA LEU 15 HA LEU 15 0.855 22.063 -11.545 130 HB2 LEU 15 HB2 LEU 15 1.166 20.871 -8.846 131 HB3 LEU 15 HB3 LEU 15 0.285 22.392 -8.967 132 HG LEU 15 HG LEU 15 -0.564 20.280 -10.841 133 HD11 LEU 15 HD11 LEU 15 -1.490 18.816 -9.349 134 HD12 LEU 15 HD12 LEU 15 -1.537 20.000 -8.043 135 HD13 LEU 15 HD13 LEU 15 -0.009 19.243 -8.490 136 HD21 LEU 15 HD21 LEU 15 -2.763 21.172 -9.564 137 HD22 LEU 15 HD22 LEU 15 -2.047 21.973 -10.962 138 HD23 LEU 15 HD23 LEU 15 -1.686 22.549 -9.333 139 H LYS 16 H LYS 16 3.704 22.253 -9.525 140 HA LYS 16 HA LYS 16 3.501 24.937 -8.727 141 HB2 LYS 16 HB2 LYS 16 5.763 23.000 -9.028 142 HB3 LYS 16 HB3 LYS 16 6.121 24.694 -8.719 143 HG2 LYS 16 HG2 LYS 16 4.115 23.909 -6.889 144 HG3 LYS 16 HG3 LYS 16 5.366 22.664 -6.880 145 HD2 LYS 16 HD2 LYS 16 6.364 24.049 -5.405 146 HD3 LYS 16 HD3 LYS 16 6.894 24.892 -6.863 147 HE2 LYS 16 HE2 LYS 16 4.860 26.323 -6.686 148 HE3 LYS 16 HE3 LYS 16 4.507 25.550 -5.142 149 HZ1 LYS 16 HZ1 LYS 16 5.753 27.145 -4.254 150 HZ2 LYS 16 HZ2 LYS 16 6.384 27.623 -5.749 151 HZ3 LYS 16 HZ3 LYS 16 7.098 26.346 -4.900 152 H LYS 17 H LYS 17 5.208 23.487 -11.494 153 HA LYS 17 HA LYS 17 5.915 26.052 -12.581 154 HB2 LYS 17 HB2 LYS 17 6.917 23.531 -12.878 155 HB3 LYS 17 HB3 LYS 17 6.007 23.715 -14.372 156 HG2 LYS 17 HG2 LYS 17 7.346 25.415 -15.141 157 HG3 LYS 17 HG3 LYS 17 7.860 25.888 -13.520 158 HD2 LYS 17 HD2 LYS 17 8.824 23.346 -13.676 159 HD3 LYS 17 HD3 LYS 17 8.981 23.885 -15.350 160 HE2 LYS 17 HE2 LYS 17 9.861 26.008 -13.715 161 HE3 LYS 17 HE3 LYS 17 10.598 24.537 -13.082 162 HZ1 LYS 17 HZ1 LYS 17 11.487 25.984 -15.209 163 HZ2 LYS 17 HZ2 LYS 17 10.701 24.677 -15.939 164 HZ3 LYS 17 HZ3 LYS 17 11.947 24.401 -14.829 165 H ILE 18 H ILE 18 3.204 23.968 -12.764 166 HA ILE 18 HA ILE 18 2.242 24.727 -15.329 167 HB ILE 18 HB ILE 18 0.926 23.475 -12.933 168 HG12 ILE 18 HG12 ILE 18 2.485 22.177 -14.445 169 HG13 ILE 18 HG13 ILE 18 0.867 21.505 -14.278 170 HG21 ILE 18 HG21 ILE 18 -0.340 24.565 -15.405 171 HG22 ILE 18 HG22 ILE 18 -0.995 23.108 -14.661 172 HG23 ILE 18 HG23 ILE 18 -0.910 24.608 -13.737 173 HD11 ILE 18 HD11 ILE 18 0.341 21.885 -16.439 174 HD12 ILE 18 HD12 ILE 18 1.312 23.354 -16.535 175 HD13 ILE 18 HD13 ILE 18 2.091 21.775 -16.621 176 H SER 19 H SER 19 1.112 25.640 -12.067 177 HA SER 19 HA SER 19 -0.575 27.714 -13.001 178 HB2 SER 19 HB2 SER 19 -0.000 26.473 -10.515 179 HB3 SER 19 HB3 SER 19 0.245 28.206 -10.298 180 HG SER 19 HG SER 19 -2.080 26.790 -10.858 181 H GLN 20 H GLN 20 2.773 27.520 -12.709 182 HA GLN 20 HA GLN 20 3.155 30.375 -12.270 183 HB2 GLN 20 HB2 GLN 20 4.868 27.968 -12.205 184 HB3 GLN 20 HB3 GLN 20 5.642 29.435 -12.790 185 HG2 GLN 20 HG2 GLN 20 4.743 30.551 -10.686 186 HG3 GLN 20 HG3 GLN 20 4.407 28.919 -10.109 187 HE21 GLN 20 HE21 GLN 20 6.441 27.430 -10.682 188 HE22 GLN 20 HE22 GLN 20 7.929 28.050 -10.062 189 H ARG 21 H ARG 21 3.803 27.940 -14.773 190 HA ARG 21 HA ARG 21 4.734 29.895 -16.660 191 HB2 ARG 21 HB2 ARG 21 3.961 26.996 -17.036 192 HB3 ARG 21 HB3 ARG 21 4.736 27.999 -18.254 193 HG2 ARG 21 HG2 ARG 21 6.172 27.987 -15.726 194 HG3 ARG 21 HG3 ARG 21 6.007 26.381 -16.438 195 HD2 ARG 21 HD2 ARG 21 7.307 26.891 -18.228 196 HD3 ARG 21 HD3 ARG 21 6.782 28.574 -18.264 197 HE ARG 21 HE ARG 21 8.346 28.152 -15.971 198 HH11 ARG 21 HH11 ARG 21 10.299 28.846 -19.396 199 HH12 ARG 21 HH12 ARG 21 8.654 28.303 -19.436 200 HH21 ARG 21 HH21 ARG 21 11.354 29.167 -17.388 201 HH22 ARG 21 HH22 ARG 21 10.510 28.868 -15.906 202 H TYR 22 H TYR 22 1.726 28.172 -16.053 203 HA TYR 22 HA TYR 22 0.396 28.953 -18.423 204 HB2 TYR 22 HB2 TYR 22 -0.376 27.079 -17.042 205 HB3 TYR 22 HB3 TYR 22 -0.756 28.189 -15.730 206 HD1 TYR 22 HD1 TYR 22 -2.726 29.589 -15.815 207 HD2 TYR 22 HD2 TYR 22 -1.771 26.988 -19.044 208 HE1 TYR 22 HE1 TYR 22 -4.991 29.897 -16.724 209 HE2 TYR 22 HE2 TYR 22 -4.033 27.289 -19.963 210 HH TYR 22 HH TYR 22 -6.205 27.964 -19.324 211 H GLN 23 H GLN 23 0.324 30.273 -15.120 212 HA GLN 23 HA GLN 23 -1.370 32.463 -15.842 213 HB2 GLN 23 HB2 GLN 23 -0.704 31.277 -13.478 214 HB3 GLN 23 HB3 GLN 23 0.267 32.742 -13.411 215 HG2 GLN 23 HG2 GLN 23 -1.942 33.932 -14.057 216 HG3 GLN 23 HG3 GLN 23 -2.700 32.444 -13.495 217 HE21 GLN 23 HE21 GLN 23 -3.400 32.610 -11.501 218 HE22 GLN 23 HE22 GLN 23 -2.640 33.480 -10.217 219 H LYS 24 H LYS 24 1.738 31.844 -16.622 220 HA LYS 24 HA LYS 24 2.828 34.495 -16.211 221 HB2 LYS 24 HB2 LYS 24 3.844 31.874 -16.975 222 HB3 LYS 24 HB3 LYS 24 4.508 33.159 -17.975 223 HG2 LYS 24 HG2 LYS 24 4.519 33.855 -15.162 224 HG3 LYS 24 HG3 LYS 24 5.415 32.370 -15.491 225 HD2 LYS 24 HD2 LYS 24 6.963 33.436 -16.811 226 HD3 LYS 24 HD3 LYS 24 5.845 34.723 -17.269 227 HE2 LYS 24 HE2 LYS 24 6.676 36.028 -15.678 228 HE3 LYS 24 HE3 LYS 24 6.242 34.836 -14.454 229 HZ1 LYS 24 HZ1 LYS 24 8.333 33.825 -14.608 230 HZ2 LYS 24 HZ2 LYS 24 8.664 35.484 -14.602 231 HZ3 LYS 24 HZ3 LYS 24 8.723 34.615 -16.052 232 H PHE 25 H PHE 25 1.342 32.645 -18.775 233 HA PHE 25 HA PHE 25 1.497 35.025 -20.502 234 HB2 PHE 25 HB2 PHE 25 2.304 32.264 -21.056 235 HB3 PHE 25 HB3 PHE 25 1.212 32.928 -22.267 236 HD1 PHE 25 HD1 PHE 25 2.146 34.027 -24.047 237 HD2 PHE 25 HD2 PHE 25 4.253 33.931 -20.350 238 HE1 PHE 25 HE1 PHE 25 4.030 35.214 -25.094 239 HE2 PHE 25 HE2 PHE 25 6.140 35.119 -21.391 240 HZ PHE 25 HZ PHE 25 6.029 35.762 -23.766 241 H ALA 26 H ALA 26 -0.470 33.037 -18.770 242 HA ALA 26 HA ALA 26 -2.779 33.635 -20.501 243 HB1 ALA 26 HB1 ALA 26 -3.135 31.377 -18.680 244 HB2 ALA 26 HB2 ALA 26 -3.546 31.536 -20.388 245 HB3 ALA 26 HB3 ALA 26 -1.901 31.116 -19.912 246 H LEU 27 H LEU 27 -3.893 35.224 -19.575 247 HA LEU 27 HA LEU 27 -4.413 35.058 -16.683 248 HB2 LEU 27 HB2 LEU 27 -3.947 37.585 -18.259 249 HB3 LEU 27 HB3 LEU 27 -4.323 37.484 -16.540 250 HG LEU 27 HG LEU 27 -2.025 37.920 -16.634 251 HD11 LEU 27 HD11 LEU 27 -1.585 35.038 -16.469 252 HD12 LEU 27 HD12 LEU 27 -2.948 35.608 -15.507 253 HD13 LEU 27 HD13 LEU 27 -1.344 36.297 -15.257 254 HD21 LEU 27 HD21 LEU 27 -0.638 37.348 -18.299 255 HD22 LEU 27 HD22 LEU 27 -2.115 36.932 -19.168 256 HD23 LEU 27 HD23 LEU 27 -1.201 35.677 -18.330 257 HA PRO 28 HA PRO 28 -8.290 35.436 -19.352 258 HB2 PRO 28 HB2 PRO 28 -9.372 33.039 -18.678 259 HB3 PRO 28 HB3 PRO 28 -8.284 33.248 -20.055 260 HG2 PRO 28 HG2 PRO 28 -7.684 32.229 -17.305 261 HG3 PRO 28 HG3 PRO 28 -7.131 31.612 -18.872 262 HD2 PRO 28 HD2 PRO 28 -5.577 33.162 -17.286 263 HD3 PRO 28 HD3 PRO 28 -5.477 33.206 -19.058 264 H GLN 29 H GLN 29 -7.729 34.158 -16.102 265 HA GLN 29 HA GLN 29 -10.134 35.601 -15.200 266 HB2 GLN 29 HB2 GLN 29 -9.114 32.885 -14.518 267 HB3 GLN 29 HB3 GLN 29 -9.907 33.811 -13.250 268 HG2 GLN 29 HG2 GLN 29 -11.899 33.300 -14.053 269 HG3 GLN 29 HG3 GLN 29 -11.468 33.934 -15.641 270 HE21 GLN 29 HE21 GLN 29 -11.693 31.111 -13.641 271 HE22 GLN 29 HE22 GLN 29 -11.482 29.948 -14.900 272 H TYR 30 H TYR 30 -6.768 35.126 -14.879 273 HA TYR 30 HA TYR 30 -6.308 35.892 -12.235 274 HB2 TYR 30 HB2 TYR 30 -4.491 35.003 -13.495 275 HB3 TYR 30 HB3 TYR 30 -4.653 36.242 -14.734 276 HD1 TYR 30 HD1 TYR 30 -3.488 35.544 -11.316 277 HD2 TYR 30 HD2 TYR 30 -3.692 38.426 -14.439 278 HE1 TYR 30 HE1 TYR 30 -1.819 36.921 -10.146 279 HE2 TYR 30 HE2 TYR 30 -2.023 39.811 -13.279 280 HH TYR 30 HH TYR 30 -1.306 40.022 -10.663 281 H LEU 31 H LEU 31 -6.301 37.923 -15.166 282 HA LEU 31 HA LEU 31 -6.212 40.342 -13.590 283 HB2 LEU 31 HB2 LEU 31 -5.624 41.376 -15.492 284 HB3 LEU 31 HB3 LEU 31 -5.325 39.734 -16.059 285 HG LEU 31 HG LEU 31 -7.786 41.396 -16.593 286 HD11 LEU 31 HD11 LEU 31 -6.844 40.864 -19.000 287 HD12 LEU 31 HD12 LEU 31 -5.318 40.768 -18.122 288 HD13 LEU 31 HD13 LEU 31 -6.273 42.250 -18.069 289 HD21 LEU 31 HD21 LEU 31 -7.425 38.565 -16.592 290 HD22 LEU 31 HD22 LEU 31 -7.649 39.118 -18.252 291 HD23 LEU 31 HD23 LEU 31 -8.856 39.502 -17.023 292 H LYS 32 H LYS 32 -8.604 38.239 -14.144 293 HA LYS 32 HA LYS 32 -10.688 40.257 -14.578 294 HB2 LYS 32 HB2 LYS 32 -10.603 38.084 -15.916 295 HB3 LYS 32 HB3 LYS 32 -11.081 37.271 -14.431 296 HG2 LYS 32 HG2 LYS 32 -12.854 39.444 -14.837 297 HG3 LYS 32 HG3 LYS 32 -12.716 38.558 -16.357 298 HD2 LYS 32 HD2 LYS 32 -13.155 37.124 -13.760 299 HD3 LYS 32 HD3 LYS 32 -14.507 37.814 -14.661 300 HE2 LYS 32 HE2 LYS 32 -12.741 36.292 -16.377 301 HE3 LYS 32 HE3 LYS 32 -13.344 35.316 -15.038 302 HZ1 LYS 32 HZ1 LYS 32 -15.518 35.576 -15.715 303 HZ2 LYS 32 HZ2 LYS 32 -14.711 35.465 -17.197 304 HZ3 LYS 32 HZ3 LYS 32 -15.201 36.975 -16.612 305 H THR 33 H THR 33 -9.569 37.847 -12.272 306 HA THR 33 HA THR 33 -11.714 38.506 -10.412 307 HB THR 33 HB THR 33 -11.059 36.145 -10.656 308 HG1 THR 33 HG1 THR 33 -10.300 37.072 -8.077 309 HG21 THR 33 HG21 THR 33 -8.950 35.350 -10.391 310 HG22 THR 33 HG22 THR 33 -8.548 36.530 -9.143 311 HG23 THR 33 HG23 THR 33 -8.514 36.997 -10.843 312 H VAL 34 H VAL 34 -8.240 38.915 -10.785 313 HA VAL 34 HA VAL 34 -7.773 39.973 -8.185 314 HB VAL 34 HB VAL 34 -6.164 40.213 -10.729 315 HG11 VAL 34 HG11 VAL 34 -5.581 42.071 -9.341 316 HG12 VAL 34 HG12 VAL 34 -5.489 41.041 -7.911 317 HG13 VAL 34 HG13 VAL 34 -4.300 40.867 -9.203 318 HG21 VAL 34 HG21 VAL 34 -6.607 38.018 -9.146 319 HG22 VAL 34 HG22 VAL 34 -5.222 38.249 -10.213 320 HG23 VAL 34 HG23 VAL 34 -5.096 38.659 -8.502 321 H TYR 35 H TYR 35 -8.942 41.307 -11.155 322 HA TYR 35 HA TYR 35 -8.367 44.044 -10.496 323 HB2 TYR 35 HB2 TYR 35 -8.987 42.732 -12.822 324 HB3 TYR 35 HB3 TYR 35 -10.501 43.551 -12.455 325 HD1 TYR 35 HD1 TYR 35 -6.871 44.119 -12.976 326 HD2 TYR 35 HD2 TYR 35 -10.754 45.855 -12.861 327 HE1 TYR 35 HE1 TYR 35 -5.958 46.207 -13.901 328 HE2 TYR 35 HE2 TYR 35 -9.852 47.947 -13.787 329 HH TYR 35 HH TYR 35 -6.411 48.256 -14.618 330 H GLN 36 H GLN 36 -10.889 41.799 -9.818 331 HA GLN 36 HA GLN 36 -12.702 43.936 -8.962 332 HB2 GLN 36 HB2 GLN 36 -13.280 41.708 -10.345 333 HB3 GLN 36 HB3 GLN 36 -13.494 41.087 -8.714 334 HG2 GLN 36 HG2 GLN 36 -15.550 41.902 -8.784 335 HG3 GLN 36 HG3 GLN 36 -14.832 43.510 -8.693 336 HE21 GLN 36 HE21 GLN 36 -16.542 41.271 -10.611 337 HE22 GLN 36 HE22 GLN 36 -16.675 42.239 -12.036 338 H HIS 37 H HIS 37 -10.862 41.196 -7.752 339 HA HIS 37 HA HIS 37 -11.876 41.423 -5.072 340 HB2 HIS 37 HB2 HIS 37 -9.773 39.777 -6.422 341 HB3 HIS 37 HB3 HIS 37 -9.778 39.888 -4.664 342 HD1 HIS 37 HD1 HIS 37 -11.376 38.403 -3.442 343 HD2 HIS 37 HD2 HIS 37 -12.222 38.641 -7.503 344 HE1 HIS 37 HE1 HIS 37 -13.179 36.699 -3.854 345 H GLN 38 H GLN 38 -8.557 41.767 -6.339 346 HA GLN 38 HA GLN 38 -7.513 43.071 -4.113 347 HB2 GLN 38 HB2 GLN 38 -6.567 42.254 -6.612 348 HB3 GLN 38 HB3 GLN 38 -6.274 43.987 -6.566 349 HG2 GLN 38 HG2 GLN 38 -5.500 42.393 -4.191 350 HG3 GLN 38 HG3 GLN 38 -4.523 42.234 -5.650 351 HE21 GLN 38 HE21 GLN 38 -3.597 44.174 -6.546 352 HE22 GLN 38 HE22 GLN 38 -3.200 45.493 -5.504 353 H LYS 39 H LYS 39 -6.766 45.322 -3.954 354 HA LYS 39 HA LYS 39 -7.246 47.540 -3.769 355 HB2 LYS 39 HB2 LYS 39 -7.145 46.899 -6.527 356 HB3 LYS 39 HB3 LYS 39 -8.478 48.026 -6.313 357 HG2 LYS 39 HG2 LYS 39 -6.990 49.612 -5.230 358 HG3 LYS 39 HG3 LYS 39 -5.649 48.475 -5.381 359 HD2 LYS 39 HD2 LYS 39 -7.108 49.154 -7.865 360 HD3 LYS 39 HD3 LYS 39 -6.117 50.429 -7.153 361 HE2 LYS 39 HE2 LYS 39 -4.468 48.244 -7.015 362 HE3 LYS 39 HE3 LYS 39 -5.325 47.976 -8.532 363 HZ1 LYS 39 HZ1 LYS 39 -3.463 49.240 -9.097 364 HZ2 LYS 39 HZ2 LYS 39 -3.629 50.275 -7.770 365 HZ3 LYS 39 HZ3 LYS 39 -4.723 50.368 -9.057 Start of MODEL 10 1 H1 LYS 1 H LYS 1 10.801 -2.825 -1.859 2 HA LYS 1 HA LYS 1 8.786 -3.628 -1.165 3 HB2 LYS 1 HB2 LYS 1 9.345 -1.273 0.520 4 HB3 LYS 1 HB3 LYS 1 7.664 -1.791 0.502 5 HG2 LYS 1 HG2 LYS 1 9.916 -3.701 1.036 6 HG3 LYS 1 HG3 LYS 1 9.157 -2.750 2.315 7 HD2 LYS 1 HD2 LYS 1 7.158 -4.013 0.673 8 HD3 LYS 1 HD3 LYS 1 8.303 -5.210 1.283 9 HE2 LYS 1 HE2 LYS 1 6.924 -3.161 3.009 10 HE3 LYS 1 HE3 LYS 1 6.325 -4.800 2.761 11 HZ1 LYS 1 HZ1 LYS 1 7.574 -4.742 4.774 12 HZ2 LYS 1 HZ2 LYS 1 8.897 -4.012 4.015 13 HZ3 LYS 1 HZ3 LYS 1 8.480 -5.607 3.638 14 H THR 2 H THR 2 8.610 -0.185 -1.995 15 HA THR 2 HA THR 2 6.365 -0.740 -3.755 16 HB THR 2 HB THR 2 5.457 1.571 -2.577 17 HG1 THR 2 HG1 THR 2 6.655 -0.098 -0.626 18 HG21 THR 2 HG21 THR 2 4.627 -1.210 -1.755 19 HG22 THR 2 HG22 THR 2 4.189 -0.473 -3.296 20 HG23 THR 2 HG23 THR 2 3.631 0.245 -1.786 21 H LYS 3 H LYS 3 5.711 1.343 -4.931 22 HA LYS 3 HA LYS 3 8.090 3.020 -5.383 23 HB2 LYS 3 HB2 LYS 3 6.215 1.829 -7.428 24 HB3 LYS 3 HB3 LYS 3 7.359 3.112 -7.797 25 HG2 LYS 3 HG2 LYS 3 8.511 0.757 -6.471 26 HG3 LYS 3 HG3 LYS 3 7.871 0.479 -8.093 27 HD2 LYS 3 HD2 LYS 3 9.621 1.496 -9.018 28 HD3 LYS 3 HD3 LYS 3 9.379 2.929 -8.016 29 HE2 LYS 3 HE2 LYS 3 11.601 1.935 -7.689 30 HE3 LYS 3 HE3 LYS 3 10.640 1.913 -6.211 31 HZ1 LYS 3 HZ1 LYS 3 10.431 -0.453 -7.874 32 HZ2 LYS 3 HZ2 LYS 3 10.560 -0.318 -6.193 33 HZ3 LYS 3 HZ3 LYS 3 11.944 -0.205 -7.159 34 H LEU 4 H LEU 4 5.631 3.421 -3.758 35 HA LEU 4 HA LEU 4 4.167 5.477 -5.187 36 HB2 LEU 4 HB2 LEU 4 3.528 3.731 -3.160 37 HB3 LEU 4 HB3 LEU 4 3.704 5.268 -2.315 38 HG LEU 4 HG LEU 4 1.378 4.809 -2.944 39 HD11 LEU 4 HD11 LEU 4 2.036 7.045 -4.742 40 HD12 LEU 4 HD12 LEU 4 2.684 7.159 -3.106 41 HD13 LEU 4 HD13 LEU 4 0.947 6.980 -3.356 42 HD21 LEU 4 HD21 LEU 4 2.307 3.682 -5.177 43 HD22 LEU 4 HD22 LEU 4 1.938 5.286 -5.812 44 HD23 LEU 4 HD23 LEU 4 0.671 4.328 -5.044 45 H THR 5 H THR 5 6.561 5.223 -2.627 46 HA THR 5 HA THR 5 6.497 7.851 -1.680 47 HB THR 5 HB THR 5 9.028 7.381 -1.219 48 HG1 THR 5 HG1 THR 5 9.681 5.338 -1.563 49 HG21 THR 5 HG21 THR 5 6.872 7.101 0.276 50 HG22 THR 5 HG22 THR 5 8.435 6.483 0.810 51 HG23 THR 5 HG23 THR 5 7.249 5.388 0.101 52 H GLU 6 H GLU 6 8.515 6.420 -4.241 53 HA GLU 6 HA GLU 6 9.855 8.809 -4.916 54 HB2 GLU 6 HB2 GLU 6 10.314 6.288 -5.554 55 HB3 GLU 6 HB3 GLU 6 9.357 6.698 -6.971 56 HG2 GLU 6 HG2 GLU 6 10.913 8.572 -7.420 57 HG3 GLU 6 HG3 GLU 6 11.906 8.020 -6.071 58 H GLU 7 H GLU 7 7.069 7.181 -6.421 59 HA GLU 7 HA GLU 7 6.611 9.031 -8.456 60 HB2 GLU 7 HB2 GLU 7 5.450 6.688 -7.682 61 HB3 GLU 7 HB3 GLU 7 4.197 7.845 -7.258 62 HG2 GLU 7 HG2 GLU 7 4.645 8.742 -9.680 63 HG3 GLU 7 HG3 GLU 7 5.283 7.118 -9.928 64 H GLU 8 H GLU 8 5.991 9.228 -5.069 65 HA GLU 8 HA GLU 8 3.959 11.209 -5.134 66 HB2 GLU 8 HB2 GLU 8 4.489 9.748 -3.170 67 HB3 GLU 8 HB3 GLU 8 5.954 10.688 -2.927 68 HG2 GLU 8 HG2 GLU 8 4.545 12.711 -2.653 69 HG3 GLU 8 HG3 GLU 8 3.120 11.678 -2.747 70 H LYS 9 H LYS 9 7.398 11.513 -4.228 71 HA LYS 9 HA LYS 9 7.524 14.273 -4.136 72 HB2 LYS 9 HB2 LYS 9 9.816 14.044 -4.023 73 HB3 LYS 9 HB3 LYS 9 9.300 12.423 -3.578 74 HG2 LYS 9 HG2 LYS 9 9.546 11.896 -6.089 75 HG3 LYS 9 HG3 LYS 9 10.500 13.380 -6.144 76 HD2 LYS 9 HD2 LYS 9 11.145 11.436 -4.001 77 HD3 LYS 9 HD3 LYS 9 11.578 10.986 -5.653 78 HE2 LYS 9 HE2 LYS 9 13.478 12.092 -4.999 79 HE3 LYS 9 HE3 LYS 9 12.564 13.413 -5.724 80 HZ1 LYS 9 HZ1 LYS 9 13.606 13.376 -3.208 81 HZ2 LYS 9 HZ2 LYS 9 11.965 13.061 -2.949 82 HZ3 LYS 9 HZ3 LYS 9 12.437 14.457 -3.780 83 H ASN 10 H ASN 10 7.614 12.137 -6.906 84 HA ASN 10 HA ASN 10 8.538 14.027 -8.800 85 HB2 ASN 10 HB2 ASN 10 7.008 11.442 -9.037 86 HB3 ASN 10 HB3 ASN 10 7.396 12.417 -10.451 87 HD21 ASN 10 HD21 ASN 10 8.331 9.796 -8.893 88 HD22 ASN 10 HD22 ASN 10 10.035 9.825 -9.181 89 H ARG 11 H ARG 11 5.377 13.259 -7.507 90 HA ARG 11 HA ARG 11 3.908 14.746 -9.461 91 HB2 ARG 11 HB2 ARG 11 2.883 12.903 -8.205 92 HB3 ARG 11 HB3 ARG 11 3.093 13.800 -6.708 93 HG2 ARG 11 HG2 ARG 11 1.618 15.216 -8.817 94 HG3 ARG 11 HG3 ARG 11 0.826 13.779 -8.168 95 HD2 ARG 11 HD2 ARG 11 1.859 16.118 -6.567 96 HD3 ARG 11 HD3 ARG 11 0.168 15.780 -6.937 97 HE ARG 11 HE ARG 11 1.532 13.647 -5.561 98 HH11 ARG 11 HH11 ARG 11 -0.865 16.204 -3.628 99 HH12 ARG 11 HH12 ARG 11 -0.311 16.581 -5.226 100 HH21 ARG 11 HH21 ARG 11 -0.226 14.247 -2.623 101 HH22 ARG 11 HH22 ARG 11 0.810 13.139 -3.458 102 H LEU 12 H LEU 12 5.107 15.388 -6.199 103 HA LEU 12 HA LEU 12 3.878 17.783 -5.638 104 HB2 LEU 12 HB2 LEU 12 6.786 17.314 -5.062 105 HB3 LEU 12 HB3 LEU 12 5.614 18.223 -4.110 106 HG LEU 12 HG LEU 12 5.819 15.229 -4.391 107 HD11 LEU 12 HD11 LEU 12 6.319 15.244 -2.062 108 HD12 LEU 12 HD12 LEU 12 5.987 16.971 -1.942 109 HD13 LEU 12 HD13 LEU 12 7.392 16.405 -2.845 110 HD21 LEU 12 HD21 LEU 12 3.606 16.969 -3.438 111 HD22 LEU 12 HD22 LEU 12 3.945 15.486 -2.546 112 HD23 LEU 12 HD23 LEU 12 3.547 15.412 -4.263 113 H ASN 13 H ASN 13 7.045 17.406 -7.240 114 HA ASN 13 HA ASN 13 7.547 20.052 -7.818 115 HB2 ASN 13 HB2 ASN 13 8.189 17.743 -9.662 116 HB3 ASN 13 HB3 ASN 13 9.042 19.279 -9.548 117 HD21 ASN 13 HD21 ASN 13 9.202 16.133 -8.740 118 HD22 ASN 13 HD22 ASN 13 10.229 16.227 -7.354 119 H PHE 14 H PHE 14 5.373 17.829 -9.415 120 HA PHE 14 HA PHE 14 4.945 19.318 -11.775 121 HB2 PHE 14 HB2 PHE 14 4.267 16.867 -11.155 122 HB3 PHE 14 HB3 PHE 14 2.795 17.622 -10.553 123 HD1 PHE 14 HD1 PHE 14 4.746 16.761 -13.505 124 HD2 PHE 14 HD2 PHE 14 1.238 18.704 -12.077 125 HE1 PHE 14 HE1 PHE 14 3.827 16.771 -15.787 126 HE2 PHE 14 HE2 PHE 14 0.313 18.717 -14.357 127 HZ PHE 14 HZ PHE 14 1.607 17.749 -16.216 128 H LEU 15 H LEU 15 2.608 18.881 -9.119 129 HA LEU 15 HA LEU 15 0.904 20.939 -9.776 130 HB2 LEU 15 HB2 LEU 15 1.563 19.488 -7.286 131 HB3 LEU 15 HB3 LEU 15 0.685 21.005 -7.105 132 HG LEU 15 HG LEU 15 -0.392 19.054 -9.058 133 HD11 LEU 15 HD11 LEU 15 -1.221 18.604 -6.265 134 HD12 LEU 15 HD12 LEU 15 0.365 17.980 -6.717 135 HD13 LEU 15 HD13 LEU 15 -1.070 17.468 -7.606 136 HD21 LEU 15 HD21 LEU 15 -1.225 21.411 -7.748 137 HD22 LEU 15 HD22 LEU 15 -2.253 20.101 -7.166 138 HD23 LEU 15 HD23 LEU 15 -2.128 20.423 -8.896 139 H LYS 16 H LYS 16 3.946 21.081 -8.039 140 HA LYS 16 HA LYS 16 3.752 23.665 -6.987 141 HB2 LYS 16 HB2 LYS 16 6.062 21.928 -7.795 142 HB3 LYS 16 HB3 LYS 16 6.341 23.580 -7.260 143 HG2 LYS 16 HG2 LYS 16 4.667 21.799 -5.565 144 HG3 LYS 16 HG3 LYS 16 6.417 21.567 -5.578 145 HD2 LYS 16 HD2 LYS 16 6.826 23.695 -4.714 146 HD3 LYS 16 HD3 LYS 16 5.227 24.289 -5.168 147 HE2 LYS 16 HE2 LYS 16 5.038 22.039 -3.366 148 HE3 LYS 16 HE3 LYS 16 6.026 23.324 -2.675 149 HZ1 LYS 16 HZ1 LYS 16 4.090 24.226 -2.091 150 HZ2 LYS 16 HZ2 LYS 16 3.193 23.244 -3.135 151 HZ3 LYS 16 HZ3 LYS 16 3.913 24.660 -3.716 152 H LYS 17 H LYS 17 5.126 22.567 -10.081 153 HA LYS 17 HA LYS 17 5.607 25.255 -10.982 154 HB2 LYS 17 HB2 LYS 17 6.922 23.157 -11.635 155 HB3 LYS 17 HB3 LYS 17 5.578 22.784 -12.706 156 HG2 LYS 17 HG2 LYS 17 5.934 25.056 -13.744 157 HG3 LYS 17 HG3 LYS 17 7.440 25.138 -12.825 158 HD2 LYS 17 HD2 LYS 17 8.123 24.296 -14.881 159 HD3 LYS 17 HD3 LYS 17 7.948 22.842 -13.896 160 HE2 LYS 17 HE2 LYS 17 5.433 23.403 -15.082 161 HE3 LYS 17 HE3 LYS 17 6.658 23.506 -16.345 162 HZ1 LYS 17 HZ1 LYS 17 5.766 21.260 -16.100 163 HZ2 LYS 17 HZ2 LYS 17 6.303 21.208 -14.497 164 HZ3 LYS 17 HZ3 LYS 17 7.423 21.307 -15.761 165 H ILE 18 H ILE 18 2.992 23.018 -11.106 166 HA ILE 18 HA ILE 18 1.674 24.004 -13.411 167 HB ILE 18 HB ILE 18 0.707 22.460 -11.017 168 HG12 ILE 18 HG12 ILE 18 2.141 21.388 -12.803 169 HG13 ILE 18 HG13 ILE 18 0.580 20.620 -12.533 170 HG21 ILE 18 HG21 ILE 18 -1.403 22.145 -12.440 171 HG22 ILE 18 HG22 ILE 18 -1.221 23.659 -11.556 172 HG23 ILE 18 HG23 ILE 18 -0.885 23.603 -13.286 173 HD11 ILE 18 HD11 ILE 18 -0.115 21.050 -14.609 174 HD12 ILE 18 HD12 ILE 18 0.558 22.680 -14.605 175 HD13 ILE 18 HD13 ILE 18 1.596 21.299 -14.956 176 H SER 19 H SER 19 0.919 24.514 -9.958 177 HA SER 19 HA SER 19 -0.957 26.573 -10.439 178 HB2 SER 19 HB2 SER 19 -1.274 25.654 -8.352 179 HB3 SER 19 HB3 SER 19 0.455 25.494 -8.042 180 HG SER 19 HG SER 19 -0.818 27.204 -6.880 181 H GLN 20 H GLN 20 2.418 26.546 -10.579 182 HA GLN 20 HA GLN 20 2.752 29.347 -9.893 183 HB2 GLN 20 HB2 GLN 20 4.627 28.198 -9.211 184 HB3 GLN 20 HB3 GLN 20 4.574 27.087 -10.573 185 HG2 GLN 20 HG2 GLN 20 5.748 28.473 -11.935 186 HG3 GLN 20 HG3 GLN 20 5.147 29.934 -11.152 187 HE21 GLN 20 HE21 GLN 20 6.817 31.015 -10.394 188 HE22 GLN 20 HE22 GLN 20 8.136 30.352 -9.496 189 H ARG 21 H ARG 21 3.139 27.294 -12.773 190 HA ARG 21 HA ARG 21 3.602 29.534 -14.502 191 HB2 ARG 21 HB2 ARG 21 4.526 27.262 -14.926 192 HB3 ARG 21 HB3 ARG 21 2.892 26.687 -15.230 193 HG2 ARG 21 HG2 ARG 21 2.722 28.312 -17.095 194 HG3 ARG 21 HG3 ARG 21 4.415 28.732 -16.828 195 HD2 ARG 21 HD2 ARG 21 4.505 26.000 -16.978 196 HD3 ARG 21 HD3 ARG 21 3.236 26.397 -18.136 197 HE ARG 21 HE ARG 21 4.829 27.277 -19.522 198 HH11 ARG 21 HH11 ARG 21 7.779 27.339 -16.815 199 HH12 ARG 21 HH12 ARG 21 6.167 26.932 -16.326 200 HH21 ARG 21 HH21 ARG 21 8.221 27.841 -19.006 201 HH22 ARG 21 HH22 ARG 21 6.947 27.813 -20.178 202 H TYR 22 H TYR 22 0.887 27.313 -13.944 203 HA TYR 22 HA TYR 22 -0.870 28.264 -15.860 204 HB2 TYR 22 HB2 TYR 22 -1.307 26.254 -14.534 205 HB3 TYR 22 HB3 TYR 22 -1.519 27.236 -13.089 206 HD1 TYR 22 HD1 TYR 22 -3.035 26.119 -16.217 207 HD2 TYR 22 HD2 TYR 22 -3.525 28.605 -12.799 208 HE1 TYR 22 HE1 TYR 22 -5.432 26.334 -16.724 209 HE2 TYR 22 HE2 TYR 22 -5.924 28.826 -13.296 210 HH TYR 22 HH TYR 22 -7.308 27.579 -16.261 211 H GLN 23 H GLN 23 -0.527 29.338 -12.484 212 HA GLN 23 HA GLN 23 -2.452 31.416 -12.710 213 HB2 GLN 23 HB2 GLN 23 -1.255 30.201 -10.617 214 HB3 GLN 23 HB3 GLN 23 -0.314 31.685 -10.682 215 HG2 GLN 23 HG2 GLN 23 -2.581 32.883 -10.729 216 HG3 GLN 23 HG3 GLN 23 -3.245 31.341 -10.193 217 HE21 GLN 23 HE21 GLN 23 -1.447 30.414 -8.449 218 HE22 GLN 23 HE22 GLN 23 -1.269 31.489 -7.109 219 H LYS 24 H LYS 24 0.552 31.120 -14.058 220 HA LYS 24 HA LYS 24 1.011 34.029 -14.058 221 HB2 LYS 24 HB2 LYS 24 2.826 31.691 -14.058 222 HB3 LYS 24 HB3 LYS 24 3.304 33.034 -15.088 223 HG2 LYS 24 HG2 LYS 24 2.478 33.949 -12.475 224 HG3 LYS 24 HG3 LYS 24 3.781 32.762 -12.372 225 HD2 LYS 24 HD2 LYS 24 5.240 34.076 -13.629 226 HD3 LYS 24 HD3 LYS 24 3.931 35.043 -14.312 227 HE2 LYS 24 HE2 LYS 24 3.812 36.406 -12.502 228 HE3 LYS 24 HE3 LYS 24 4.248 35.124 -11.373 229 HZ1 LYS 24 HZ1 LYS 24 6.230 36.099 -11.303 230 HZ2 LYS 24 HZ2 LYS 24 5.918 37.060 -12.659 231 HZ3 LYS 24 HZ3 LYS 24 6.501 35.484 -12.855 232 H PHE 25 H PHE 25 -0.285 31.611 -15.882 233 HA PHE 25 HA PHE 25 0.171 33.127 -18.357 234 HB2 PHE 25 HB2 PHE 25 0.941 30.391 -17.819 235 HB3 PHE 25 HB3 PHE 25 -0.209 30.465 -19.150 236 HD1 PHE 25 HD1 PHE 25 2.886 32.169 -17.956 237 HD2 PHE 25 HD2 PHE 25 0.604 30.787 -21.272 238 HE1 PHE 25 HE1 PHE 25 4.700 32.836 -19.478 239 HE2 PHE 25 HE2 PHE 25 2.414 31.452 -22.800 240 HZ PHE 25 HZ PHE 25 4.466 32.477 -21.903 241 H ALA 26 H ALA 26 -2.006 32.274 -16.153 242 HA ALA 26 HA ALA 26 -4.170 31.823 -18.100 243 HB1 ALA 26 HB1 ALA 26 -4.028 31.173 -15.161 244 HB2 ALA 26 HB2 ALA 26 -5.483 31.011 -16.145 245 HB3 ALA 26 HB3 ALA 26 -4.059 30.036 -16.510 246 H LEU 27 H LEU 27 -4.313 33.058 -14.786 247 HA LEU 27 HA LEU 27 -5.408 34.859 -13.913 248 HB2 LEU 27 HB2 LEU 27 -4.152 36.216 -16.294 249 HB3 LEU 27 HB3 LEU 27 -4.752 37.017 -14.843 250 HG LEU 27 HG LEU 27 -2.455 36.990 -14.528 251 HD11 LEU 27 HD11 LEU 27 -2.954 34.369 -13.217 252 HD12 LEU 27 HD12 LEU 27 -3.941 35.751 -12.742 253 HD13 LEU 27 HD13 LEU 27 -2.186 35.826 -12.583 254 HD21 LEU 27 HD21 LEU 27 -0.968 35.466 -15.341 255 HD22 LEU 27 HD22 LEU 27 -2.288 35.212 -16.483 256 HD23 LEU 27 HD23 LEU 27 -2.071 34.107 -15.126 257 HA PRO 28 HA PRO 28 -8.791 34.552 -17.173 258 HB2 PRO 28 HB2 PRO 28 -10.521 33.099 -15.667 259 HB3 PRO 28 HB3 PRO 28 -9.301 32.360 -16.710 260 HG2 PRO 28 HG2 PRO 28 -9.233 32.831 -13.755 261 HG3 PRO 28 HG3 PRO 28 -8.727 31.400 -14.671 262 HD2 PRO 28 HD2 PRO 28 -6.964 33.236 -13.748 263 HD3 PRO 28 HD3 PRO 28 -6.702 32.333 -15.254 264 H GLN 29 H GLN 29 -8.864 35.082 -13.677 265 HA GLN 29 HA GLN 29 -10.919 37.151 -14.102 266 HB2 GLN 29 HB2 GLN 29 -11.610 36.763 -11.757 267 HB3 GLN 29 HB3 GLN 29 -11.827 35.344 -12.773 268 HG2 GLN 29 HG2 GLN 29 -9.241 35.192 -11.641 269 HG3 GLN 29 HG3 GLN 29 -10.371 35.599 -10.350 270 HE21 GLN 29 HE21 GLN 29 -8.837 33.103 -11.352 271 HE22 GLN 29 HE22 GLN 29 -10.030 31.857 -11.259 272 H TYR 30 H TYR 30 -7.766 36.441 -13.012 273 HA TYR 30 HA TYR 30 -7.338 38.449 -11.113 274 HB2 TYR 30 HB2 TYR 30 -5.633 36.857 -11.268 275 HB3 TYR 30 HB3 TYR 30 -5.536 36.989 -13.021 276 HD1 TYR 30 HD1 TYR 30 -4.274 38.787 -14.067 277 HD2 TYR 30 HD2 TYR 30 -4.494 38.446 -9.831 278 HE1 TYR 30 HE1 TYR 30 -2.395 40.359 -13.848 279 HE2 TYR 30 HE2 TYR 30 -2.616 40.018 -9.601 280 HH TYR 30 HH TYR 30 -1.402 41.834 -12.269 281 H LEU 31 H LEU 31 -6.607 38.508 -14.605 282 HA LEU 31 HA LEU 31 -6.129 41.355 -14.536 283 HB2 LEU 31 HB2 LEU 31 -5.138 41.078 -16.528 284 HB3 LEU 31 HB3 LEU 31 -5.173 39.372 -16.090 285 HG LEU 31 HG LEU 31 -7.138 40.794 -17.885 286 HD11 LEU 31 HD11 LEU 31 -5.320 38.566 -18.693 287 HD12 LEU 31 HD12 LEU 31 -4.731 40.228 -18.669 288 HD13 LEU 31 HD13 LEU 31 -6.103 39.793 -19.689 289 HD21 LEU 31 HD21 LEU 31 -7.446 38.436 -16.348 290 HD22 LEU 31 HD22 LEU 31 -7.281 37.957 -18.038 291 HD23 LEU 31 HD23 LEU 31 -8.536 39.103 -17.565 292 H LYS 32 H LYS 32 -8.870 39.648 -14.390 293 HA LYS 32 HA LYS 32 -10.393 41.354 -16.226 294 HB2 LYS 32 HB2 LYS 32 -10.671 38.812 -16.168 295 HB3 LYS 32 HB3 LYS 32 -11.473 39.044 -14.620 296 HG2 LYS 32 HG2 LYS 32 -13.354 39.257 -15.780 297 HG3 LYS 32 HG3 LYS 32 -12.751 40.841 -16.274 298 HD2 LYS 32 HD2 LYS 32 -12.082 38.316 -17.767 299 HD3 LYS 32 HD3 LYS 32 -13.516 39.280 -18.129 300 HE2 LYS 32 HE2 LYS 32 -11.502 41.155 -18.057 301 HE3 LYS 32 HE3 LYS 32 -10.716 39.758 -18.790 302 HZ1 LYS 32 HZ1 LYS 32 -12.628 41.538 -19.913 303 HZ2 LYS 32 HZ2 LYS 32 -13.163 39.937 -20.020 304 HZ3 LYS 32 HZ3 LYS 32 -11.668 40.374 -20.680 305 H THR 33 H THR 33 -10.074 40.496 -12.829 306 HA THR 33 HA THR 33 -12.178 42.365 -12.072 307 HB THR 33 HB THR 33 -12.017 40.171 -10.922 308 HG1 THR 33 HG1 THR 33 -13.024 41.548 -9.611 309 HG21 THR 33 HG21 THR 33 -9.704 41.109 -9.319 310 HG22 THR 33 HG22 THR 33 -9.364 40.473 -10.928 311 HG23 THR 33 HG23 THR 33 -10.199 39.470 -9.742 312 H VAL 34 H VAL 34 -8.685 42.011 -11.894 313 HA VAL 34 HA VAL 34 -8.233 44.249 -10.195 314 HB VAL 34 HB VAL 34 -6.382 42.815 -12.101 315 HG11 VAL 34 HG11 VAL 34 -4.569 43.937 -10.798 316 HG12 VAL 34 HG12 VAL 34 -5.520 45.026 -11.810 317 HG13 VAL 34 HG13 VAL 34 -5.803 44.964 -10.070 318 HG21 VAL 34 HG21 VAL 34 -7.377 41.647 -10.035 319 HG22 VAL 34 HG22 VAL 34 -5.631 41.578 -10.273 320 HG23 VAL 34 HG23 VAL 34 -6.317 42.708 -9.106 321 H TYR 35 H TYR 35 -8.782 43.870 -13.589 322 HA TYR 35 HA TYR 35 -7.663 46.403 -14.355 323 HB2 TYR 35 HB2 TYR 35 -8.345 44.130 -15.724 324 HB3 TYR 35 HB3 TYR 35 -9.663 45.215 -16.151 325 HD1 TYR 35 HD1 TYR 35 -9.341 46.968 -17.701 326 HD2 TYR 35 HD2 TYR 35 -5.977 44.845 -16.191 327 HE1 TYR 35 HE1 TYR 35 -7.909 48.055 -19.380 328 HE2 TYR 35 HE2 TYR 35 -4.536 45.927 -17.864 329 HH TYR 35 HH TYR 35 -4.411 47.478 -19.461 330 H GLN 36 H GLN 36 -10.683 45.287 -13.130 331 HA GLN 36 HA GLN 36 -12.032 47.771 -13.903 332 HB2 GLN 36 HB2 GLN 36 -12.972 45.258 -14.003 333 HB3 GLN 36 HB3 GLN 36 -13.471 45.677 -12.370 334 HG2 GLN 36 HG2 GLN 36 -15.310 46.406 -13.434 335 HG3 GLN 36 HG3 GLN 36 -14.332 47.856 -13.655 336 HE21 GLN 36 HE21 GLN 36 -15.838 45.166 -15.170 337 HE22 GLN 36 HE22 GLN 36 -15.471 45.597 -16.802 338 H HIS 37 H HIS 37 -10.994 45.925 -11.096 339 HA HIS 37 HA HIS 37 -12.171 47.733 -9.199 340 HB2 HIS 37 HB2 HIS 37 -10.378 45.342 -9.033 341 HB3 HIS 37 HB3 HIS 37 -10.524 46.404 -7.636 342 HD1 HIS 37 HD1 HIS 37 -12.522 46.075 -6.170 343 HD2 HIS 37 HD2 HIS 37 -12.911 44.156 -9.835 344 HE1 HIS 37 HE1 HIS 37 -14.618 44.697 -5.989 345 H GLN 38 H GLN 38 -8.756 46.851 -9.744 346 HA GLN 38 HA GLN 38 -7.652 49.001 -8.371 347 HB2 GLN 38 HB2 GLN 38 -6.691 46.828 -9.838 348 HB3 GLN 38 HB3 GLN 38 -6.027 48.241 -10.648 349 HG2 GLN 38 HG2 GLN 38 -5.837 48.129 -7.692 350 HG3 GLN 38 HG3 GLN 38 -4.798 47.057 -8.629 351 HE21 GLN 38 HE21 GLN 38 -3.388 48.029 -10.209 352 HE22 GLN 38 HE22 GLN 38 -2.798 49.633 -9.957 353 H LYS 39 H LYS 39 -6.981 51.037 -8.931 354 HA LYS 39 HA LYS 39 -7.906 52.024 -11.550 355 HB2 LYS 39 HB2 LYS 39 -8.424 52.961 -8.869 356 HB3 LYS 39 HB3 LYS 39 -7.632 54.216 -9.812 357 HG2 LYS 39 HG2 LYS 39 -9.358 54.278 -11.391 358 HG3 LYS 39 HG3 LYS 39 -10.020 52.732 -10.854 359 HD2 LYS 39 HD2 LYS 39 -9.893 54.823 -8.789 360 HD3 LYS 39 HD3 LYS 39 -10.996 55.156 -10.126 361 HE2 LYS 39 HE2 LYS 39 -11.186 52.420 -9.150 362 HE3 LYS 39 HE3 LYS 39 -11.543 53.615 -7.904 363 HZ1 LYS 39 HZ1 LYS 39 -13.496 54.037 -8.833 364 HZ2 LYS 39 HZ2 LYS 39 -13.244 52.727 -9.872 365 HZ3 LYS 39 HZ3 LYS 39 -12.807 54.287 -10.358 Start of MODEL 11 1 H1 LYS 1 H LYS 1 9.784 3.141 1.849 2 HA LYS 1 HA LYS 1 8.234 1.344 2.517 3 HB2 LYS 1 HB2 LYS 1 7.720 3.048 4.568 4 HB3 LYS 1 HB3 LYS 1 6.304 3.319 3.562 5 HG2 LYS 1 HG2 LYS 1 5.750 1.629 5.127 6 HG3 LYS 1 HG3 LYS 1 5.938 0.845 3.557 7 HD2 LYS 1 HD2 LYS 1 8.265 0.240 4.213 8 HD3 LYS 1 HD3 LYS 1 7.932 0.890 5.820 9 HE2 LYS 1 HE2 LYS 1 6.092 -1.153 4.665 10 HE3 LYS 1 HE3 LYS 1 7.646 -1.670 5.318 11 HZ1 LYS 1 HZ1 LYS 1 6.429 -1.783 7.200 12 HZ2 LYS 1 HZ2 LYS 1 5.307 -0.620 6.700 13 HZ3 LYS 1 HZ3 LYS 1 6.815 -0.139 7.299 14 H THR 2 H THR 2 7.197 0.780 0.730 15 HA THR 2 HA THR 2 5.978 0.863 -1.191 16 HB THR 2 HB THR 2 4.672 3.447 -0.607 17 HG1 THR 2 HG1 THR 2 4.305 1.188 1.097 18 HG21 THR 2 HG21 THR 2 3.957 0.737 -1.597 19 HG22 THR 2 HG22 THR 2 3.535 2.323 -2.241 20 HG23 THR 2 HG23 THR 2 2.688 1.690 -0.830 21 H LYS 3 H LYS 3 5.553 2.215 -3.174 22 HA LYS 3 HA LYS 3 7.798 4.080 -3.569 23 HB2 LYS 3 HB2 LYS 3 6.338 2.376 -5.596 24 HB3 LYS 3 HB3 LYS 3 7.652 3.485 -5.963 25 HG2 LYS 3 HG2 LYS 3 8.994 2.082 -4.255 26 HG3 LYS 3 HG3 LYS 3 7.735 0.873 -4.514 27 HD2 LYS 3 HD2 LYS 3 8.278 1.447 -7.061 28 HD3 LYS 3 HD3 LYS 3 9.843 1.856 -6.356 29 HE2 LYS 3 HE2 LYS 3 9.148 -0.564 -5.176 30 HE3 LYS 3 HE3 LYS 3 8.658 -0.736 -6.861 31 HZ1 LYS 3 HZ1 LYS 3 11.113 -1.230 -6.024 32 HZ2 LYS 3 HZ2 LYS 3 11.289 0.415 -6.378 33 HZ3 LYS 3 HZ3 LYS 3 10.782 -0.659 -7.582 34 H LEU 4 H LEU 4 5.171 4.782 -2.499 35 HA LEU 4 HA LEU 4 3.915 6.276 -4.664 36 HB2 LEU 4 HB2 LEU 4 2.844 4.970 -2.571 37 HB3 LEU 4 HB3 LEU 4 2.965 6.589 -1.885 38 HG LEU 4 HG LEU 4 0.752 6.186 -2.817 39 HD11 LEU 4 HD11 LEU 4 2.026 8.084 -4.732 40 HD12 LEU 4 HD12 LEU 4 2.067 8.433 -3.004 41 HD13 LEU 4 HD13 LEU 4 0.520 8.237 -3.826 42 HD21 LEU 4 HD21 LEU 4 0.322 5.446 -4.927 43 HD22 LEU 4 HD22 LEU 4 1.871 4.645 -4.660 44 HD23 LEU 4 HD23 LEU 4 1.800 6.140 -5.594 45 H THR 5 H THR 5 5.701 6.815 -1.677 46 HA THR 5 HA THR 5 5.397 9.551 -1.385 47 HB THR 5 HB THR 5 8.048 9.135 -0.695 48 HG1 THR 5 HG1 THR 5 8.322 7.072 -0.275 49 HG21 THR 5 HG21 THR 5 6.587 8.369 1.538 50 HG22 THR 5 HG22 THR 5 5.468 9.370 0.613 51 HG23 THR 5 HG23 THR 5 7.037 10.015 1.094 52 H GLU 6 H GLU 6 7.307 7.766 -3.686 53 HA GLU 6 HA GLU 6 8.973 9.931 -4.495 54 HB2 GLU 6 HB2 GLU 6 8.660 7.161 -5.148 55 HB3 GLU 6 HB3 GLU 6 8.677 8.097 -6.636 56 HG2 GLU 6 HG2 GLU 6 10.848 8.606 -6.444 57 HG3 GLU 6 HG3 GLU 6 10.744 8.848 -4.701 58 H GLU 7 H GLU 7 6.337 8.298 -6.265 59 HA GLU 7 HA GLU 7 6.051 10.084 -8.330 60 HB2 GLU 7 HB2 GLU 7 4.715 7.848 -7.525 61 HB3 GLU 7 HB3 GLU 7 3.497 9.086 -7.255 62 HG2 GLU 7 HG2 GLU 7 4.085 9.838 -9.662 63 HG3 GLU 7 HG3 GLU 7 4.779 8.224 -9.808 64 H GLU 8 H GLU 8 4.719 10.298 -5.072 65 HA GLU 8 HA GLU 8 2.941 12.381 -5.349 66 HB2 GLU 8 HB2 GLU 8 3.772 10.977 -3.249 67 HB3 GLU 8 HB3 GLU 8 4.747 12.414 -2.978 68 HG2 GLU 8 HG2 GLU 8 2.996 13.630 -2.312 69 HG3 GLU 8 HG3 GLU 8 1.940 12.976 -3.563 70 H LYS 9 H LYS 9 6.406 12.664 -4.558 71 HA LYS 9 HA LYS 9 6.545 15.450 -4.571 72 HB2 LYS 9 HB2 LYS 9 8.414 14.399 -3.668 73 HB3 LYS 9 HB3 LYS 9 8.551 13.267 -5.007 74 HG2 LYS 9 HG2 LYS 9 9.799 14.672 -6.244 75 HG3 LYS 9 HG3 LYS 9 8.926 16.105 -5.695 76 HD2 LYS 9 HD2 LYS 9 10.854 14.578 -3.955 77 HD3 LYS 9 HD3 LYS 9 11.337 15.942 -4.966 78 HE2 LYS 9 HE2 LYS 9 9.183 16.971 -3.665 79 HE3 LYS 9 HE3 LYS 9 9.844 15.893 -2.438 80 HZ1 LYS 9 HZ1 LYS 9 11.722 17.630 -3.844 81 HZ2 LYS 9 HZ2 LYS 9 11.717 17.125 -2.230 82 HZ3 LYS 9 HZ3 LYS 9 10.681 18.365 -2.730 83 H ASN 10 H ASN 10 7.019 13.132 -7.211 84 HA ASN 10 HA ASN 10 7.824 14.912 -9.195 85 HB2 ASN 10 HB2 ASN 10 6.257 12.336 -9.369 86 HB3 ASN 10 HB3 ASN 10 6.833 13.207 -10.787 87 HD21 ASN 10 HD21 ASN 10 7.750 11.368 -7.981 88 HD22 ASN 10 HD22 ASN 10 9.371 11.037 -8.480 89 H ARG 11 H ARG 11 4.708 14.381 -7.788 90 HA ARG 11 HA ARG 11 3.244 15.666 -9.916 91 HB2 ARG 11 HB2 ARG 11 2.467 13.871 -8.120 92 HB3 ARG 11 HB3 ARG 11 2.081 15.314 -7.193 93 HG2 ARG 11 HG2 ARG 11 0.927 15.980 -9.507 94 HG3 ARG 11 HG3 ARG 11 0.813 14.222 -9.625 95 HD2 ARG 11 HD2 ARG 11 -1.181 15.171 -8.585 96 HD3 ARG 11 HD3 ARG 11 -0.300 14.141 -7.457 97 HE ARG 11 HE ARG 11 0.659 16.622 -6.933 98 HH11 ARG 11 HH11 ARG 11 -3.211 16.353 -5.947 99 HH12 ARG 11 HH12 ARG 11 -2.542 15.265 -7.117 100 HH21 ARG 11 HH21 ARG 11 -1.885 17.943 -4.966 101 HH22 ARG 11 HH22 ARG 11 -0.211 18.060 -5.391 102 H LEU 12 H LEU 12 4.265 16.499 -6.622 103 HA LEU 12 HA LEU 12 3.066 18.942 -6.295 104 HB2 LEU 12 HB2 LEU 12 5.929 18.445 -5.531 105 HB3 LEU 12 HB3 LEU 12 4.749 19.474 -4.722 106 HG LEU 12 HG LEU 12 4.851 16.462 -4.741 107 HD11 LEU 12 HD11 LEU 12 6.382 17.630 -3.200 108 HD12 LEU 12 HD12 LEU 12 5.145 16.697 -2.359 109 HD13 LEU 12 HD13 LEU 12 4.997 18.450 -2.480 110 HD21 LEU 12 HD21 LEU 12 2.887 17.104 -2.987 111 HD22 LEU 12 HD22 LEU 12 2.609 16.592 -4.652 112 HD23 LEU 12 HD23 LEU 12 2.621 18.310 -4.247 113 H ASN 13 H ASN 13 6.302 18.417 -7.707 114 HA ASN 13 HA ASN 13 6.873 21.020 -8.422 115 HB2 ASN 13 HB2 ASN 13 7.589 18.612 -10.102 116 HB3 ASN 13 HB3 ASN 13 8.473 20.130 -9.973 117 HD21 ASN 13 HD21 ASN 13 8.377 16.997 -8.982 118 HD22 ASN 13 HD22 ASN 13 9.344 17.118 -7.555 119 H PHE 14 H PHE 14 4.879 18.653 -10.093 120 HA PHE 14 HA PHE 14 4.569 20.013 -12.526 121 HB2 PHE 14 HB2 PHE 14 3.869 17.611 -11.884 122 HB3 PHE 14 HB3 PHE 14 2.387 18.351 -11.288 123 HD1 PHE 14 HD1 PHE 14 4.502 17.997 -14.313 124 HD2 PHE 14 HD2 PHE 14 0.638 18.849 -12.744 125 HE1 PHE 14 HE1 PHE 14 3.570 17.950 -16.590 126 HE2 PHE 14 HE2 PHE 14 -0.300 18.802 -15.017 127 HZ PHE 14 HZ PHE 14 1.166 18.351 -16.944 128 H LEU 15 H LEU 15 2.046 19.732 -10.026 129 HA LEU 15 HA LEU 15 0.379 21.718 -10.900 130 HB2 LEU 15 HB2 LEU 15 0.936 20.475 -8.283 131 HB3 LEU 15 HB3 LEU 15 0.075 22.012 -8.240 132 HG LEU 15 HG LEU 15 -0.994 19.987 -10.104 133 HD11 LEU 15 HD11 LEU 15 -2.259 19.037 -8.034 134 HD12 LEU 15 HD12 LEU 15 -0.825 19.563 -7.154 135 HD13 LEU 15 HD13 LEU 15 -0.673 18.398 -8.469 136 HD21 LEU 15 HD21 LEU 15 -1.863 22.363 -9.334 137 HD22 LEU 15 HD22 LEU 15 -2.569 21.413 -8.026 138 HD23 LEU 15 HD23 LEU 15 -2.975 21.045 -9.703 139 H LYS 16 H LYS 16 3.281 22.054 -8.928 140 HA LYS 16 HA LYS 16 3.023 24.727 -8.185 141 HB2 LYS 16 HB2 LYS 16 5.167 22.752 -8.322 142 HB3 LYS 16 HB3 LYS 16 5.741 24.390 -8.607 143 HG2 LYS 16 HG2 LYS 16 5.926 24.378 -6.360 144 HG3 LYS 16 HG3 LYS 16 4.227 24.846 -6.456 145 HD2 LYS 16 HD2 LYS 16 3.615 22.443 -6.263 146 HD3 LYS 16 HD3 LYS 16 5.323 22.069 -6.016 147 HE2 LYS 16 HE2 LYS 16 4.532 24.179 -4.248 148 HE3 LYS 16 HE3 LYS 16 3.412 22.827 -4.089 149 HZ1 LYS 16 HZ1 LYS 16 6.260 22.966 -3.456 150 HZ2 LYS 16 HZ2 LYS 16 5.673 21.497 -4.055 151 HZ3 LYS 16 HZ3 LYS 16 5.010 22.162 -2.647 152 H LYS 17 H LYS 17 4.510 23.320 -11.087 153 HA LYS 17 HA LYS 17 5.098 25.912 -12.204 154 HB2 LYS 17 HB2 LYS 17 5.571 23.088 -12.956 155 HB3 LYS 17 HB3 LYS 17 5.433 24.228 -14.288 156 HG2 LYS 17 HG2 LYS 17 7.217 25.586 -13.302 157 HG3 LYS 17 HG3 LYS 17 7.363 24.421 -11.983 158 HD2 LYS 17 HD2 LYS 17 7.630 23.569 -14.847 159 HD3 LYS 17 HD3 LYS 17 9.001 24.243 -13.963 160 HE2 LYS 17 HE2 LYS 17 7.815 22.312 -12.286 161 HE3 LYS 17 HE3 LYS 17 7.927 21.590 -13.890 162 HZ1 LYS 17 HZ1 LYS 17 10.328 22.920 -13.372 163 HZ2 LYS 17 HZ2 LYS 17 10.072 21.257 -13.541 164 HZ3 LYS 17 HZ3 LYS 17 9.971 21.977 -12.014 165 H ILE 18 H ILE 18 2.452 23.731 -12.212 166 HA ILE 18 HA ILE 18 1.292 24.585 -14.689 167 HB ILE 18 HB ILE 18 0.179 23.040 -12.354 168 HG12 ILE 18 HG12 ILE 18 1.843 21.922 -13.828 169 HG13 ILE 18 HG13 ILE 18 0.258 21.156 -13.876 170 HG21 ILE 18 HG21 ILE 18 -1.184 24.070 -14.809 171 HG22 ILE 18 HG22 ILE 18 -1.704 22.557 -14.067 172 HG23 ILE 18 HG23 ILE 18 -1.749 24.056 -13.138 173 HD11 ILE 18 HD11 ILE 18 1.209 21.280 -16.090 174 HD12 ILE 18 HD12 ILE 18 -0.216 22.314 -15.984 175 HD13 ILE 18 HD13 ILE 18 1.397 23.027 -15.939 176 H SER 19 H SER 19 1.230 25.692 -11.405 177 HA SER 19 HA SER 19 -0.967 27.544 -12.013 178 HB2 SER 19 HB2 SER 19 -1.017 26.068 -9.927 179 HB3 SER 19 HB3 SER 19 0.276 27.089 -9.301 180 HG SER 19 HG SER 19 -1.376 28.227 -8.624 181 H GLN 20 H GLN 20 2.323 27.439 -12.105 182 HA GLN 20 HA GLN 20 2.609 30.283 -11.405 183 HB2 GLN 20 HB2 GLN 20 4.520 27.977 -11.348 184 HB3 GLN 20 HB3 GLN 20 5.135 29.616 -11.521 185 HG2 GLN 20 HG2 GLN 20 3.277 28.841 -9.299 186 HG3 GLN 20 HG3 GLN 20 5.025 28.644 -9.178 187 HE21 GLN 20 HE21 GLN 20 4.679 30.124 -7.344 188 HE22 GLN 20 HE22 GLN 20 4.694 31.824 -7.652 189 H ARG 21 H ARG 21 3.375 27.845 -13.845 190 HA ARG 21 HA ARG 21 4.501 29.791 -15.654 191 HB2 ARG 21 HB2 ARG 21 5.260 27.401 -15.526 192 HB3 ARG 21 HB3 ARG 21 3.718 26.931 -16.229 193 HG2 ARG 21 HG2 ARG 21 5.090 28.986 -17.768 194 HG3 ARG 21 HG3 ARG 21 6.016 27.492 -17.613 195 HD2 ARG 21 HD2 ARG 21 4.378 26.221 -18.667 196 HD3 ARG 21 HD3 ARG 21 3.120 27.419 -18.365 197 HE ARG 21 HE ARG 21 5.020 28.597 -20.023 198 HH11 ARG 21 HH11 ARG 21 2.473 26.093 -21.832 199 HH12 ARG 21 HH12 ARG 21 2.725 25.981 -20.122 200 HH21 ARG 21 HH21 ARG 21 3.596 27.671 -23.056 201 HH22 ARG 21 HH22 ARG 21 4.697 28.755 -22.275 202 H TYR 22 H TYR 22 1.412 28.316 -15.074 203 HA TYR 22 HA TYR 22 0.253 28.901 -17.608 204 HB2 TYR 22 HB2 TYR 22 -0.669 27.177 -16.124 205 HB3 TYR 22 HB3 TYR 22 -1.075 28.409 -14.934 206 HD1 TYR 22 HD1 TYR 22 -3.379 28.558 -14.807 207 HD2 TYR 22 HD2 TYR 22 -1.550 28.279 -18.638 208 HE1 TYR 22 HE1 TYR 22 -5.575 28.867 -15.871 209 HE2 TYR 22 HE2 TYR 22 -3.740 28.589 -19.713 210 HH TYR 22 HH TYR 22 -6.463 28.071 -18.520 211 H GLN 23 H GLN 23 0.020 30.473 -14.422 212 HA GLN 23 HA GLN 23 -1.516 32.668 -15.418 213 HB2 GLN 23 HB2 GLN 23 -1.014 31.644 -12.926 214 HB3 GLN 23 HB3 GLN 23 -0.034 33.103 -12.921 215 HG2 GLN 23 HG2 GLN 23 -2.083 34.355 -13.659 216 HG3 GLN 23 HG3 GLN 23 -2.998 32.880 -13.351 217 HE21 GLN 23 HE21 GLN 23 -3.916 32.781 -11.442 218 HE22 GLN 23 HE22 GLN 23 -3.376 33.571 -10.003 219 H LYS 24 H LYS 24 1.606 31.867 -15.942 220 HA LYS 24 HA LYS 24 2.798 34.485 -15.652 221 HB2 LYS 24 HB2 LYS 24 3.717 31.776 -16.218 222 HB3 LYS 24 HB3 LYS 24 4.502 32.977 -17.235 223 HG2 LYS 24 HG2 LYS 24 4.387 33.817 -14.467 224 HG3 LYS 24 HG3 LYS 24 5.214 32.269 -14.661 225 HD2 LYS 24 HD2 LYS 24 6.657 33.279 -16.380 226 HD3 LYS 24 HD3 LYS 24 5.847 34.828 -16.134 227 HE2 LYS 24 HE2 LYS 24 7.618 35.144 -14.746 228 HE3 LYS 24 HE3 LYS 24 6.535 34.338 -13.612 229 HZ1 LYS 24 HZ1 LYS 24 7.680 32.213 -14.505 230 HZ2 LYS 24 HZ2 LYS 24 8.475 33.162 -13.352 231 HZ3 LYS 24 HZ3 LYS 24 8.909 33.272 -14.984 232 H PHE 25 H PHE 25 1.395 32.527 -18.192 233 HA PHE 25 HA PHE 25 1.723 34.798 -20.037 234 HB2 PHE 25 HB2 PHE 25 2.463 31.984 -20.385 235 HB3 PHE 25 HB3 PHE 25 1.474 32.616 -21.697 236 HD1 PHE 25 HD1 PHE 25 4.735 32.508 -20.223 237 HD2 PHE 25 HD2 PHE 25 2.246 34.695 -22.894 238 HE1 PHE 25 HE1 PHE 25 6.727 33.568 -21.204 239 HE2 PHE 25 HE2 PHE 25 4.234 35.759 -23.880 240 HZ PHE 25 HZ PHE 25 6.478 35.195 -23.036 241 H ALA 26 H ALA 26 -0.405 32.968 -18.318 242 HA ALA 26 HA ALA 26 -2.588 33.520 -20.221 243 HB1 ALA 26 HB1 ALA 26 -1.834 31.026 -19.417 244 HB2 ALA 26 HB2 ALA 26 -3.112 31.409 -18.262 245 HB3 ALA 26 HB3 ALA 26 -3.444 31.462 -19.994 246 H LEU 27 H LEU 27 -3.693 35.209 -19.481 247 HA LEU 27 HA LEU 27 -4.386 35.275 -16.621 248 HB2 LEU 27 HB2 LEU 27 -3.757 37.660 -18.353 249 HB3 LEU 27 HB3 LEU 27 -4.232 37.702 -16.657 250 HG LEU 27 HG LEU 27 -1.921 38.070 -16.647 251 HD11 LEU 27 HD11 LEU 27 -1.587 35.194 -16.245 252 HD12 LEU 27 HD12 LEU 27 -2.972 35.883 -15.400 253 HD13 LEU 27 HD13 LEU 27 -1.357 36.535 -15.123 254 HD21 LEU 27 HD21 LEU 27 -0.432 37.297 -18.149 255 HD22 LEU 27 HD22 LEU 27 -1.875 36.950 -19.103 256 HD23 LEU 27 HD23 LEU 27 -1.117 35.671 -18.152 257 HA PRO 28 HA PRO 28 -8.098 35.538 -19.525 258 HB2 PRO 28 HB2 PRO 28 -9.292 33.238 -18.716 259 HB3 PRO 28 HB3 PRO 28 -8.124 33.300 -20.042 260 HG2 PRO 28 HG2 PRO 28 -7.708 32.502 -17.187 261 HG3 PRO 28 HG3 PRO 28 -7.090 31.738 -18.663 262 HD2 PRO 28 HD2 PRO 28 -5.576 33.375 -17.126 263 HD3 PRO 28 HD3 PRO 28 -5.378 33.265 -18.887 264 H GLN 29 H GLN 29 -7.744 34.545 -16.151 265 HA GLN 29 HA GLN 29 -10.120 36.160 -15.505 266 HB2 GLN 29 HB2 GLN 29 -10.506 34.592 -13.594 267 HB3 GLN 29 HB3 GLN 29 -10.736 33.867 -15.180 268 HG2 GLN 29 HG2 GLN 29 -8.024 33.507 -14.378 269 HG3 GLN 29 HG3 GLN 29 -9.090 32.982 -13.076 270 HE21 GLN 29 HE21 GLN 29 -7.357 31.433 -14.859 271 HE22 GLN 29 HE22 GLN 29 -8.386 30.281 -15.634 272 H TYR 30 H TYR 30 -6.836 35.386 -14.854 273 HA TYR 30 HA TYR 30 -6.442 36.245 -12.269 274 HB2 TYR 30 HB2 TYR 30 -4.660 35.275 -13.635 275 HB3 TYR 30 HB3 TYR 30 -4.641 36.709 -14.655 276 HD1 TYR 30 HD1 TYR 30 -3.033 38.308 -14.230 277 HD2 TYR 30 HD2 TYR 30 -4.307 35.789 -11.046 278 HE1 TYR 30 HE1 TYR 30 -1.361 39.341 -12.751 279 HE2 TYR 30 HE2 TYR 30 -2.639 36.816 -9.558 280 HH TYR 30 HH TYR 30 -0.084 38.459 -10.518 281 H LEU 31 H LEU 31 -6.209 38.269 -15.198 282 HA LEU 31 HA LEU 31 -6.103 40.691 -13.654 283 HB2 LEU 31 HB2 LEU 31 -6.382 41.731 -15.981 284 HB3 LEU 31 HB3 LEU 31 -4.907 40.830 -15.635 285 HG LEU 31 HG LEU 31 -5.769 38.919 -16.883 286 HD11 LEU 31 HD11 LEU 31 -8.201 40.653 -17.140 287 HD12 LEU 31 HD12 LEU 31 -8.085 38.975 -16.611 288 HD13 LEU 31 HD13 LEU 31 -7.845 39.383 -18.310 289 HD21 LEU 31 HD21 LEU 31 -4.975 39.772 -18.785 290 HD22 LEU 31 HD22 LEU 31 -4.850 41.302 -17.917 291 HD23 LEU 31 HD23 LEU 31 -6.277 40.957 -18.896 292 H LYS 32 H LYS 32 -8.561 38.661 -14.176 293 HA LYS 32 HA LYS 32 -10.575 40.761 -14.583 294 HB2 LYS 32 HB2 LYS 32 -10.537 38.620 -15.998 295 HB3 LYS 32 HB3 LYS 32 -11.100 37.795 -14.550 296 HG2 LYS 32 HG2 LYS 32 -13.080 39.210 -14.496 297 HG3 LYS 32 HG3 LYS 32 -12.511 40.072 -15.927 298 HD2 LYS 32 HD2 LYS 32 -12.742 37.114 -16.088 299 HD3 LYS 32 HD3 LYS 32 -14.234 38.058 -16.084 300 HE2 LYS 32 HE2 LYS 32 -12.698 39.436 -17.870 301 HE3 LYS 32 HE3 LYS 32 -12.182 37.774 -18.158 302 HZ1 LYS 32 HZ1 LYS 32 -14.763 39.029 -18.650 303 HZ2 LYS 32 HZ2 LYS 32 -14.800 37.432 -18.097 304 HZ3 LYS 32 HZ3 LYS 32 -13.966 37.815 -19.518 305 H THR 33 H THR 33 -9.370 38.433 -12.298 306 HA THR 33 HA THR 33 -11.569 38.996 -10.446 307 HB THR 33 HB THR 33 -9.441 36.876 -10.523 308 HG1 THR 33 HG1 THR 33 -12.282 36.932 -10.399 309 HG21 THR 33 HG21 THR 33 -10.813 37.994 -8.146 310 HG22 THR 33 HG22 THR 33 -9.247 37.194 -8.278 311 HG23 THR 33 HG23 THR 33 -10.728 36.237 -8.263 312 H VAL 34 H VAL 34 -8.061 39.267 -10.747 313 HA VAL 34 HA VAL 34 -7.629 40.317 -8.138 314 HB VAL 34 HB VAL 34 -5.888 40.613 -10.589 315 HG11 VAL 34 HG11 VAL 34 -5.352 42.188 -8.785 316 HG12 VAL 34 HG12 VAL 34 -5.199 40.836 -7.660 317 HG13 VAL 34 HG13 VAL 34 -4.077 40.992 -9.012 318 HG21 VAL 34 HG21 VAL 34 -6.476 38.255 -9.932 319 HG22 VAL 34 HG22 VAL 34 -4.754 38.634 -9.922 320 HG23 VAL 34 HG23 VAL 34 -5.648 38.555 -8.404 321 H TYR 35 H TYR 35 -8.217 41.756 -11.300 322 HA TYR 35 HA TYR 35 -7.657 44.429 -10.578 323 HB2 TYR 35 HB2 TYR 35 -8.156 43.199 -12.924 324 HB3 TYR 35 HB3 TYR 35 -9.728 43.939 -12.641 325 HD1 TYR 35 HD1 TYR 35 -6.143 44.615 -13.165 326 HD2 TYR 35 HD2 TYR 35 -10.033 46.305 -12.825 327 HE1 TYR 35 HE1 TYR 35 -5.282 46.754 -14.021 328 HE2 TYR 35 HE2 TYR 35 -9.183 48.448 -13.682 329 HH TYR 35 HH TYR 35 -6.940 49.633 -13.775 330 H GLN 36 H GLN 36 -10.407 42.380 -10.091 331 HA GLN 36 HA GLN 36 -12.114 44.627 -9.349 332 HB2 GLN 36 HB2 GLN 36 -12.722 42.334 -10.625 333 HB3 GLN 36 HB3 GLN 36 -13.056 41.844 -8.970 334 HG2 GLN 36 HG2 GLN 36 -15.053 42.765 -9.188 335 HG3 GLN 36 HG3 GLN 36 -14.256 44.337 -9.224 336 HE21 GLN 36 HE21 GLN 36 -15.105 45.514 -10.776 337 HE22 GLN 36 HE22 GLN 36 -15.477 44.979 -12.375 338 H HIS 37 H HIS 37 -10.578 41.788 -7.913 339 HA HIS 37 HA HIS 37 -11.623 42.329 -5.287 340 HB2 HIS 37 HB2 HIS 37 -9.722 40.328 -6.450 341 HB3 HIS 37 HB3 HIS 37 -9.776 40.555 -4.705 342 HD1 HIS 37 HD1 HIS 37 -11.641 39.428 -3.462 343 HD2 HIS 37 HD2 HIS 37 -12.225 39.412 -7.575 344 HE1 HIS 37 HE1 HIS 37 -13.633 37.944 -3.852 345 H GLN 38 H GLN 38 -8.237 42.045 -6.368 346 HA GLN 38 HA GLN 38 -7.073 43.356 -4.239 347 HB2 GLN 38 HB2 GLN 38 -6.183 42.252 -6.612 348 HB3 GLN 38 HB3 GLN 38 -5.740 43.946 -6.769 349 HG2 GLN 38 HG2 GLN 38 -5.084 42.449 -4.270 350 HG3 GLN 38 HG3 GLN 38 -4.077 42.273 -5.707 351 HE21 GLN 38 HE21 GLN 38 -3.163 44.234 -6.618 352 HE22 GLN 38 HE22 GLN 38 -2.759 45.543 -5.566 353 H LYS 39 H LYS 39 -7.942 44.780 -7.389 354 HA LYS 39 HA LYS 39 -8.117 47.396 -6.044 355 HB2 LYS 39 HB2 LYS 39 -7.245 48.476 -8.024 356 HB3 LYS 39 HB3 LYS 39 -6.109 47.242 -7.492 357 HG2 LYS 39 HG2 LYS 39 -6.975 45.722 -9.214 358 HG3 LYS 39 HG3 LYS 39 -8.074 46.991 -9.762 359 HD2 LYS 39 HD2 LYS 39 -5.070 47.259 -9.684 360 HD3 LYS 39 HD3 LYS 39 -5.990 46.793 -11.117 361 HE2 LYS 39 HE2 LYS 39 -6.213 48.956 -11.582 362 HE3 LYS 39 HE3 LYS 39 -7.242 49.096 -10.158 363 HZ1 LYS 39 HZ1 LYS 39 -5.139 50.581 -10.415 364 HZ2 LYS 39 HZ2 LYS 39 -4.327 49.220 -9.827 365 HZ3 LYS 39 HZ3 LYS 39 -5.545 49.943 -8.902 Start of MODEL 12 1 H1 LYS 1 H LYS 1 0.929 -0.030 -6.052 2 HA LYS 1 HA LYS 1 0.691 0.935 -3.959 3 HB2 LYS 1 HB2 LYS 1 0.830 -1.875 -2.852 4 HB3 LYS 1 HB3 LYS 1 0.423 -0.420 -1.952 5 HG2 LYS 1 HG2 LYS 1 -1.674 -1.165 -2.335 6 HG3 LYS 1 HG3 LYS 1 -1.452 -0.266 -3.839 7 HD2 LYS 1 HD2 LYS 1 -1.175 -2.176 -5.096 8 HD3 LYS 1 HD3 LYS 1 -0.614 -3.128 -3.719 9 HE2 LYS 1 HE2 LYS 1 -3.066 -2.680 -2.856 10 HE3 LYS 1 HE3 LYS 1 -3.388 -2.462 -4.575 11 HZ1 LYS 1 HZ1 LYS 1 -2.053 -4.711 -4.698 12 HZ2 LYS 1 HZ2 LYS 1 -3.717 -4.686 -4.399 13 HZ3 LYS 1 HZ3 LYS 1 -2.630 -4.879 -3.117 14 H THR 2 H THR 2 2.977 1.117 -5.194 15 HA THR 2 HA THR 2 4.916 1.168 -3.096 16 HB THR 2 HB THR 2 6.252 -0.277 -5.192 17 HG1 THR 2 HG1 THR 2 4.564 -1.526 -5.666 18 HG21 THR 2 HG21 THR 2 5.853 -0.461 -2.252 19 HG22 THR 2 HG22 THR 2 7.346 -0.379 -3.187 20 HG23 THR 2 HG23 THR 2 6.447 -1.893 -3.090 21 H LYS 3 H LYS 3 7.172 1.754 -4.145 22 HA LYS 3 HA LYS 3 8.377 3.338 -5.246 23 HB2 LYS 3 HB2 LYS 3 7.619 1.839 -7.170 24 HB3 LYS 3 HB3 LYS 3 6.396 3.059 -7.502 25 HG2 LYS 3 HG2 LYS 3 7.884 4.104 -8.762 26 HG3 LYS 3 HG3 LYS 3 8.798 4.465 -7.295 27 HD2 LYS 3 HD2 LYS 3 10.209 2.619 -7.584 28 HD3 LYS 3 HD3 LYS 3 9.110 1.845 -8.727 29 HE2 LYS 3 HE2 LYS 3 9.566 3.681 -10.330 30 HE3 LYS 3 HE3 LYS 3 10.746 4.336 -9.196 31 HZ1 LYS 3 HZ1 LYS 3 11.834 2.063 -9.339 32 HZ2 LYS 3 HZ2 LYS 3 11.983 3.068 -10.692 33 HZ3 LYS 3 HZ3 LYS 3 10.868 1.795 -10.702 34 H LEU 4 H LEU 4 6.008 4.103 -3.630 35 HA LEU 4 HA LEU 4 4.860 6.406 -4.906 36 HB2 LEU 4 HB2 LEU 4 4.202 4.812 -2.745 37 HB3 LEU 4 HB3 LEU 4 4.672 6.342 -2.006 38 HG LEU 4 HG LEU 4 3.014 7.433 -3.613 39 HD11 LEU 4 HD11 LEU 4 1.122 5.724 -4.121 40 HD12 LEU 4 HD12 LEU 4 2.424 4.537 -4.043 41 HD13 LEU 4 HD13 LEU 4 2.501 5.854 -5.213 42 HD21 LEU 4 HD21 LEU 4 2.350 5.719 -1.263 43 HD22 LEU 4 HD22 LEU 4 1.049 6.516 -2.149 44 HD23 LEU 4 HD23 LEU 4 2.336 7.476 -1.417 45 H THR 5 H THR 5 7.476 5.781 -2.655 46 HA THR 5 HA THR 5 7.979 8.279 -1.624 47 HB THR 5 HB THR 5 9.276 6.370 -0.908 48 HG1 THR 5 HG1 THR 5 10.541 8.039 -0.460 49 HG21 THR 5 HG21 THR 5 9.585 5.901 -3.671 50 HG22 THR 5 HG22 THR 5 10.186 4.920 -2.334 51 HG23 THR 5 HG23 THR 5 11.200 6.186 -3.025 52 H GLU 6 H GLU 6 8.594 7.095 -4.857 53 HA GLU 6 HA GLU 6 10.266 9.287 -5.635 54 HB2 GLU 6 HB2 GLU 6 9.320 6.825 -6.804 55 HB3 GLU 6 HB3 GLU 6 9.128 8.152 -7.942 56 HG2 GLU 6 HG2 GLU 6 11.261 7.072 -8.262 57 HG3 GLU 6 HG3 GLU 6 11.493 8.718 -7.675 58 H GLU 7 H GLU 7 6.966 8.338 -6.612 59 HA GLU 7 HA GLU 7 6.342 10.676 -7.993 60 HB2 GLU 7 HB2 GLU 7 5.060 8.329 -7.551 61 HB3 GLU 7 HB3 GLU 7 4.123 9.398 -6.517 62 HG2 GLU 7 HG2 GLU 7 4.231 10.885 -8.757 63 HG3 GLU 7 HG3 GLU 7 4.290 9.265 -9.450 64 H GLU 8 H GLU 8 6.543 10.077 -4.608 65 HA GLU 8 HA GLU 8 4.848 12.196 -3.738 66 HB2 GLU 8 HB2 GLU 8 6.493 10.162 -2.527 67 HB3 GLU 8 HB3 GLU 8 6.775 11.711 -1.745 68 HG2 GLU 8 HG2 GLU 8 4.013 11.545 -2.007 69 HG3 GLU 8 HG3 GLU 8 4.524 9.925 -1.536 70 H LYS 9 H LYS 9 7.988 12.085 -5.045 71 HA LYS 9 HA LYS 9 8.591 14.780 -4.024 72 HB2 LYS 9 HB2 LYS 9 10.836 14.306 -4.099 73 HB3 LYS 9 HB3 LYS 9 10.198 12.703 -3.758 74 HG2 LYS 9 HG2 LYS 9 11.578 12.149 -5.456 75 HG3 LYS 9 HG3 LYS 9 10.170 12.596 -6.421 76 HD2 LYS 9 HD2 LYS 9 11.453 14.081 -7.470 77 HD3 LYS 9 HD3 LYS 9 11.545 14.987 -5.958 78 HE2 LYS 9 HE2 LYS 9 13.395 12.703 -6.592 79 HE3 LYS 9 HE3 LYS 9 13.748 14.364 -7.064 80 HZ1 LYS 9 HZ1 LYS 9 13.173 14.698 -4.493 81 HZ2 LYS 9 HZ2 LYS 9 14.738 14.401 -5.060 82 HZ3 LYS 9 HZ3 LYS 9 13.810 13.132 -4.436 83 H ASN 10 H ASN 10 7.920 12.902 -6.839 84 HA ASN 10 HA ASN 10 8.934 14.830 -8.720 85 HB2 ASN 10 HB2 ASN 10 7.083 12.474 -9.152 86 HB3 ASN 10 HB3 ASN 10 7.883 13.399 -10.420 87 HD21 ASN 10 HD21 ASN 10 7.994 10.564 -9.013 88 HD22 ASN 10 HD22 ASN 10 9.692 10.241 -9.019 89 H ARG 11 H ARG 11 5.947 14.234 -7.065 90 HA ARG 11 HA ARG 11 4.323 15.818 -8.829 91 HB2 ARG 11 HB2 ARG 11 2.568 15.513 -7.174 92 HB3 ARG 11 HB3 ARG 11 3.372 13.982 -7.491 93 HG2 ARG 11 HG2 ARG 11 4.728 14.349 -5.431 94 HG3 ARG 11 HG3 ARG 11 3.727 15.763 -5.094 95 HD2 ARG 11 HD2 ARG 11 2.184 13.357 -5.689 96 HD3 ARG 11 HD3 ARG 11 3.213 13.196 -4.266 97 HE ARG 11 HE ARG 11 1.897 15.625 -4.037 98 HH11 ARG 11 HH11 ARG 11 -0.352 12.417 -3.212 99 HH12 ARG 11 HH12 ARG 11 1.076 12.245 -4.179 100 HH21 ARG 11 HH21 ARG 11 -0.952 14.477 -2.408 101 HH22 ARG 11 HH22 ARG 11 0.020 15.865 -2.763 102 H LEU 12 H LEU 12 5.934 16.303 -5.723 103 HA LEU 12 HA LEU 12 4.908 18.723 -4.938 104 HB2 LEU 12 HB2 LEU 12 7.850 18.156 -4.789 105 HB3 LEU 12 HB3 LEU 12 6.840 19.036 -3.644 106 HG LEU 12 HG LEU 12 6.919 16.056 -4.090 107 HD11 LEU 12 HD11 LEU 12 7.513 16.135 -1.633 108 HD12 LEU 12 HD12 LEU 12 7.768 17.867 -1.847 109 HD13 LEU 12 HD13 LEU 12 8.746 16.713 -2.754 110 HD21 LEU 12 HD21 LEU 12 5.156 17.622 -2.210 111 HD22 LEU 12 HD22 LEU 12 5.219 15.868 -2.388 112 HD23 LEU 12 HD23 LEU 12 4.615 16.868 -3.710 113 H ASN 13 H ASN 13 7.860 18.326 -6.908 114 HA ASN 13 HA ASN 13 8.245 21.010 -7.511 115 HB2 ASN 13 HB2 ASN 13 8.875 18.836 -9.493 116 HB3 ASN 13 HB3 ASN 13 9.783 20.305 -9.142 117 HD21 ASN 13 HD21 ASN 13 9.895 17.100 -8.848 118 HD22 ASN 13 HD22 ASN 13 10.850 16.943 -7.417 119 H PHE 14 H PHE 14 5.948 18.757 -8.775 120 HA PHE 14 HA PHE 14 5.363 20.124 -11.200 121 HB2 PHE 14 HB2 PHE 14 4.650 17.695 -10.082 122 HB3 PHE 14 HB3 PHE 14 3.141 18.603 -10.068 123 HD1 PHE 14 HD1 PHE 14 5.709 17.064 -12.153 124 HD2 PHE 14 HD2 PHE 14 2.081 19.288 -12.134 125 HE1 PHE 14 HE1 PHE 14 5.388 16.554 -14.539 126 HE2 PHE 14 HE2 PHE 14 1.753 18.782 -14.519 127 HZ PHE 14 HZ PHE 14 3.408 17.412 -15.724 128 H LEU 15 H LEU 15 3.203 19.711 -8.398 129 HA LEU 15 HA LEU 15 1.409 21.699 -8.983 130 HB2 LEU 15 HB2 LEU 15 2.360 20.515 -6.414 131 HB3 LEU 15 HB3 LEU 15 1.246 21.880 -6.377 132 HG LEU 15 HG LEU 15 0.068 19.759 -6.135 133 HD11 LEU 15 HD11 LEU 15 -1.688 20.320 -7.486 134 HD12 LEU 15 HD12 LEU 15 -0.658 20.655 -8.877 135 HD13 LEU 15 HD13 LEU 15 -0.755 21.816 -7.553 136 HD21 LEU 15 HD21 LEU 15 -0.010 18.151 -7.958 137 HD22 LEU 15 HD22 LEU 15 1.642 18.347 -7.374 138 HD23 LEU 15 HD23 LEU 15 1.142 19.117 -8.880 139 H LYS 16 H LYS 16 4.527 22.000 -7.371 140 HA LYS 16 HA LYS 16 4.332 24.631 -6.476 141 HB2 LYS 16 HB2 LYS 16 6.678 22.973 -7.379 142 HB3 LYS 16 HB3 LYS 16 6.880 24.622 -6.799 143 HG2 LYS 16 HG2 LYS 16 5.311 22.829 -5.065 144 HG3 LYS 16 HG3 LYS 16 7.030 22.457 -5.224 145 HD2 LYS 16 HD2 LYS 16 7.419 24.941 -4.733 146 HD3 LYS 16 HD3 LYS 16 5.738 24.967 -4.196 147 HE2 LYS 16 HE2 LYS 16 7.729 22.979 -3.140 148 HE3 LYS 16 HE3 LYS 16 7.529 24.577 -2.422 149 HZ1 LYS 16 HZ1 LYS 16 5.536 24.035 -1.548 150 HZ2 LYS 16 HZ2 LYS 16 6.153 22.463 -1.633 151 HZ3 LYS 16 HZ3 LYS 16 5.101 23.024 -2.833 152 H LYS 17 H LYS 17 5.629 23.423 -9.565 153 HA LYS 17 HA LYS 17 5.977 26.062 -10.630 154 HB2 LYS 17 HB2 LYS 17 6.350 23.280 -11.614 155 HB3 LYS 17 HB3 LYS 17 6.136 24.539 -12.823 156 HG2 LYS 17 HG2 LYS 17 8.110 25.582 -12.287 157 HG3 LYS 17 HG3 LYS 17 8.128 24.939 -10.643 158 HD2 LYS 17 HD2 LYS 17 8.352 22.637 -11.896 159 HD3 LYS 17 HD3 LYS 17 8.968 23.655 -13.200 160 HE2 LYS 17 HE2 LYS 17 10.562 24.645 -11.522 161 HE3 LYS 17 HE3 LYS 17 10.045 23.388 -10.399 162 HZ1 LYS 17 HZ1 LYS 17 10.669 21.817 -12.331 163 HZ2 LYS 17 HZ2 LYS 17 11.899 22.463 -11.366 164 HZ3 LYS 17 HZ3 LYS 17 11.587 23.123 -12.892 165 H ILE 18 H ILE 18 3.386 23.817 -10.454 166 HA ILE 18 HA ILE 18 1.932 24.754 -12.734 167 HB ILE 18 HB ILE 18 1.132 23.095 -10.350 168 HG12 ILE 18 HG12 ILE 18 2.611 22.156 -12.190 169 HG13 ILE 18 HG13 ILE 18 1.125 21.268 -11.872 170 HG21 ILE 18 HG21 ILE 18 -0.858 24.233 -10.882 171 HG22 ILE 18 HG22 ILE 18 -0.559 24.112 -12.615 172 HG23 ILE 18 HG23 ILE 18 -0.982 22.671 -11.691 173 HD11 ILE 18 HD11 ILE 18 1.787 21.659 -14.299 174 HD12 ILE 18 HD12 ILE 18 0.123 22.022 -13.838 175 HD13 ILE 18 HD13 ILE 18 1.288 23.330 -14.037 176 H SER 19 H SER 19 1.747 25.350 -9.240 177 HA SER 19 HA SER 19 -0.478 27.089 -9.350 178 HB2 SER 19 HB2 SER 19 1.515 26.277 -7.339 179 HB3 SER 19 HB3 SER 19 0.862 27.899 -7.108 180 HG SER 19 HG SER 19 -1.162 27.064 -6.931 181 H GLN 20 H GLN 20 2.865 27.523 -10.054 182 HA GLN 20 HA GLN 20 2.683 30.430 -9.896 183 HB2 GLN 20 HB2 GLN 20 4.962 28.541 -10.465 184 HB3 GLN 20 HB3 GLN 20 5.114 30.285 -10.634 185 HG2 GLN 20 HG2 GLN 20 4.221 30.312 -8.185 186 HG3 GLN 20 HG3 GLN 20 4.782 28.641 -8.173 187 HE21 GLN 20 HE21 GLN 20 5.744 30.962 -6.683 188 HE22 GLN 20 HE22 GLN 20 7.421 31.115 -7.070 189 H ARG 21 H ARG 21 3.181 27.871 -12.289 190 HA ARG 21 HA ARG 21 3.435 29.635 -14.507 191 HB2 ARG 21 HB2 ARG 21 4.346 27.397 -14.629 192 HB3 ARG 21 HB3 ARG 21 2.755 26.695 -14.364 193 HG2 ARG 21 HG2 ARG 21 1.991 27.500 -16.500 194 HG3 ARG 21 HG3 ARG 21 3.513 28.355 -16.757 195 HD2 ARG 21 HD2 ARG 21 4.182 25.686 -16.176 196 HD3 ARG 21 HD3 ARG 21 2.845 25.626 -17.323 197 HE ARG 21 HE ARG 21 4.498 27.439 -18.436 198 HH11 ARG 21 HH11 ARG 21 6.299 23.866 -18.291 199 HH12 ARG 21 HH12 ARG 21 5.004 24.225 -17.197 200 HH21 ARG 21 HH21 ARG 21 6.980 25.434 -19.817 201 HH22 ARG 21 HH22 ARG 21 6.202 26.979 -19.882 202 H TYR 22 H TYR 22 0.751 27.694 -13.228 203 HA TYR 22 HA TYR 22 -1.153 28.247 -15.166 204 HB2 TYR 22 HB2 TYR 22 -1.426 26.603 -13.322 205 HB3 TYR 22 HB3 TYR 22 -1.651 27.938 -12.197 206 HD1 TYR 22 HD1 TYR 22 -3.696 29.277 -12.247 207 HD2 TYR 22 HD2 TYR 22 -3.172 25.964 -14.865 208 HE1 TYR 22 HE1 TYR 22 -6.107 29.288 -12.734 209 HE2 TYR 22 HE2 TYR 22 -5.581 25.967 -15.360 210 HH TYR 22 HH TYR 22 -7.499 27.153 -15.168 211 H GLN 23 H GLN 23 -0.460 30.042 -12.175 212 HA GLN 23 HA GLN 23 -2.302 32.149 -12.933 213 HB2 GLN 23 HB2 GLN 23 -1.369 31.178 -10.507 214 HB3 GLN 23 HB3 GLN 23 -0.558 32.730 -10.674 215 HG2 GLN 23 HG2 GLN 23 -2.929 33.610 -11.259 216 HG3 GLN 23 HG3 GLN 23 -3.473 32.132 -10.468 217 HE21 GLN 23 HE21 GLN 23 -2.984 31.822 -8.259 218 HE22 GLN 23 HE22 GLN 23 -2.635 33.163 -7.228 219 H LYS 24 H LYS 24 -0.166 31.762 -14.743 220 HA LYS 24 HA LYS 24 1.160 34.372 -14.501 221 HB2 LYS 24 HB2 LYS 24 2.411 31.715 -14.743 222 HB3 LYS 24 HB3 LYS 24 3.032 32.927 -15.855 223 HG2 LYS 24 HG2 LYS 24 2.756 33.789 -13.054 224 HG3 LYS 24 HG3 LYS 24 3.970 32.546 -13.365 225 HD2 LYS 24 HD2 LYS 24 4.975 33.970 -15.090 226 HD3 LYS 24 HD3 LYS 24 3.764 35.213 -14.767 227 HE2 LYS 24 HE2 LYS 24 4.652 35.702 -12.671 228 HE3 LYS 24 HE3 LYS 24 5.508 34.165 -12.568 229 HZ1 LYS 24 HZ1 LYS 24 7.066 35.917 -12.985 230 HZ2 LYS 24 HZ2 LYS 24 6.192 36.455 -14.329 231 HZ3 LYS 24 HZ3 LYS 24 6.967 34.952 -14.371 232 H PHE 25 H PHE 25 0.067 31.743 -16.572 233 HA PHE 25 HA PHE 25 0.070 33.612 -18.850 234 HB2 PHE 25 HB2 PHE 25 0.745 30.745 -18.621 235 HB3 PHE 25 HB3 PHE 25 -0.223 31.182 -20.025 236 HD1 PHE 25 HD1 PHE 25 0.750 32.208 -21.888 237 HD2 PHE 25 HD2 PHE 25 2.932 31.939 -18.244 238 HE1 PHE 25 HE1 PHE 25 2.778 32.977 -23.050 239 HE2 PHE 25 HE2 PHE 25 4.963 32.707 -19.399 240 HZ PHE 25 HZ PHE 25 4.888 33.228 -21.805 241 H ALA 26 H ALA 26 -1.831 31.627 -16.794 242 HA ALA 26 HA ALA 26 -4.116 31.505 -18.558 243 HB1 ALA 26 HB1 ALA 26 -3.456 29.776 -16.784 244 HB2 ALA 26 HB2 ALA 26 -4.173 30.893 -15.623 245 HB3 ALA 26 HB3 ALA 26 -5.160 30.214 -16.917 246 H LEU 27 H LEU 27 -3.907 32.719 -15.216 247 HA LEU 27 HA LEU 27 -5.015 34.414 -14.167 248 HB2 LEU 27 HB2 LEU 27 -4.420 35.837 -16.757 249 HB3 LEU 27 HB3 LEU 27 -4.803 36.601 -15.216 250 HG LEU 27 HG LEU 27 -2.502 36.842 -15.379 251 HD11 LEU 27 HD11 LEU 27 -2.323 34.240 -13.990 252 HD12 LEU 27 HD12 LEU 27 -3.478 35.407 -13.348 253 HD13 LEU 27 HD13 LEU 27 -1.774 35.839 -13.487 254 HD21 LEU 27 HD21 LEU 27 -1.173 35.612 -16.680 255 HD22 LEU 27 HD22 LEU 27 -2.641 34.798 -17.220 256 HD23 LEU 27 HD23 LEU 27 -1.676 34.105 -15.915 257 HA PRO 28 HA PRO 28 -8.901 33.606 -16.692 258 HB2 PRO 28 HB2 PRO 28 -10.131 32.047 -14.841 259 HB3 PRO 28 HB3 PRO 28 -9.055 31.395 -16.084 260 HG2 PRO 28 HG2 PRO 28 -8.478 32.010 -13.211 261 HG3 PRO 28 HG3 PRO 28 -7.995 30.601 -14.173 262 HD2 PRO 28 HD2 PRO 28 -6.312 32.659 -13.659 263 HD3 PRO 28 HD3 PRO 28 -6.240 31.719 -15.164 264 H GLN 29 H GLN 29 -8.377 34.272 -13.256 265 HA GLN 29 HA GLN 29 -10.669 36.122 -13.342 266 HB2 GLN 29 HB2 GLN 29 -10.969 35.717 -10.935 267 HB3 GLN 29 HB3 GLN 29 -11.145 34.239 -11.872 268 HG2 GLN 29 HG2 GLN 29 -8.432 34.424 -11.142 269 HG3 GLN 29 HG3 GLN 29 -9.382 34.799 -9.705 270 HE21 GLN 29 HE21 GLN 29 -11.534 33.237 -9.897 271 HE22 GLN 29 HE22 GLN 29 -11.094 31.566 -9.910 272 H TYR 30 H TYR 30 -7.331 35.742 -12.844 273 HA TYR 30 HA TYR 30 -6.755 37.786 -11.026 274 HB2 TYR 30 HB2 TYR 30 -4.957 36.381 -11.526 275 HB3 TYR 30 HB3 TYR 30 -5.211 36.510 -13.263 276 HD1 TYR 30 HD1 TYR 30 -4.345 38.403 -14.511 277 HD2 TYR 30 HD2 TYR 30 -3.748 38.106 -10.309 278 HE1 TYR 30 HE1 TYR 30 -2.628 40.160 -14.637 279 HE2 TYR 30 HE2 TYR 30 -2.030 39.862 -10.423 280 HH TYR 30 HH TYR 30 -0.809 41.045 -13.448 281 H LEU 31 H LEU 31 -6.680 37.920 -14.591 282 HA LEU 31 HA LEU 31 -6.553 40.812 -14.530 283 HB2 LEU 31 HB2 LEU 31 -6.680 40.491 -17.064 284 HB3 LEU 31 HB3 LEU 31 -5.242 39.916 -16.223 285 HG LEU 31 HG LEU 31 -6.080 37.623 -16.348 286 HD11 LEU 31 HD11 LEU 31 -8.406 37.792 -16.296 287 HD12 LEU 31 HD12 LEU 31 -8.054 37.269 -17.942 288 HD13 LEU 31 HD13 LEU 31 -8.445 38.958 -17.619 289 HD21 LEU 31 HD21 LEU 31 -6.173 37.555 -18.965 290 HD22 LEU 31 HD22 LEU 31 -4.689 38.017 -18.131 291 HD23 LEU 31 HD23 LEU 31 -5.738 39.258 -18.817 292 H LYS 32 H LYS 32 -8.984 38.810 -13.963 293 HA LYS 32 HA LYS 32 -10.968 40.249 -15.580 294 HB2 LYS 32 HB2 LYS 32 -10.872 37.680 -15.460 295 HB3 LYS 32 HB3 LYS 32 -11.525 37.858 -13.837 296 HG2 LYS 32 HG2 LYS 32 -13.271 39.377 -15.197 297 HG3 LYS 32 HG3 LYS 32 -12.824 38.223 -16.456 298 HD2 LYS 32 HD2 LYS 32 -13.252 36.838 -13.983 299 HD3 LYS 32 HD3 LYS 32 -14.648 37.858 -14.341 300 HE2 LYS 32 HE2 LYS 32 -15.099 36.759 -16.332 301 HE3 LYS 32 HE3 LYS 32 -13.456 36.137 -16.477 302 HZ1 LYS 32 HZ1 LYS 32 -14.014 34.792 -14.411 303 HZ2 LYS 32 HZ2 LYS 32 -14.733 34.306 -15.863 304 HZ3 LYS 32 HZ3 LYS 32 -15.632 35.176 -14.724 305 H THR 33 H THR 33 -10.015 39.539 -12.276 306 HA THR 33 HA THR 33 -12.220 41.152 -11.231 307 HB THR 33 HB THR 33 -11.664 38.959 -10.160 308 HG1 THR 33 HG1 THR 33 -12.680 40.069 -8.659 309 HG21 THR 33 HG21 THR 33 -9.670 38.521 -9.141 310 HG22 THR 33 HG22 THR 33 -9.363 40.217 -8.769 311 HG23 THR 33 HG23 THR 33 -9.091 39.609 -10.402 312 H VAL 34 H VAL 34 -8.720 41.144 -11.521 313 HA VAL 34 HA VAL 34 -8.276 43.413 -9.853 314 HB VAL 34 HB VAL 34 -6.538 42.163 -11.983 315 HG11 VAL 34 HG11 VAL 34 -5.923 44.491 -11.699 316 HG12 VAL 34 HG12 VAL 34 -5.861 44.284 -9.948 317 HG13 VAL 34 HG13 VAL 34 -4.697 43.450 -10.978 318 HG21 VAL 34 HG21 VAL 34 -7.246 41.148 -9.557 319 HG22 VAL 34 HG22 VAL 34 -5.753 40.763 -10.413 320 HG23 VAL 34 HG23 VAL 34 -5.757 42.007 -9.163 321 H TYR 35 H TYR 35 -8.984 42.947 -13.244 322 HA TYR 35 HA TYR 35 -8.274 45.577 -14.082 323 HB2 TYR 35 HB2 TYR 35 -8.735 43.319 -15.434 324 HB3 TYR 35 HB3 TYR 35 -10.335 44.038 -15.579 325 HD1 TYR 35 HD1 TYR 35 -6.809 45.279 -15.809 326 HD2 TYR 35 HD2 TYR 35 -10.675 45.121 -17.577 327 HE1 TYR 35 HE1 TYR 35 -6.007 46.671 -17.671 328 HE2 TYR 35 HE2 TYR 35 -9.884 46.512 -19.445 329 HH TYR 35 HH TYR 35 -6.574 47.786 -19.514 330 H GLN 36 H GLN 36 -10.986 44.233 -12.474 331 HA GLN 36 HA GLN 36 -12.652 46.562 -13.113 332 HB2 GLN 36 HB2 GLN 36 -13.357 43.966 -13.087 333 HB3 GLN 36 HB3 GLN 36 -13.715 44.375 -11.414 334 HG2 GLN 36 HG2 GLN 36 -15.708 44.664 -12.658 335 HG3 GLN 36 HG3 GLN 36 -15.102 46.270 -12.257 336 HE21 GLN 36 HE21 GLN 36 -14.526 43.877 -14.819 337 HE22 GLN 36 HE22 GLN 36 -14.708 44.987 -16.131 338 H HIS 37 H HIS 37 -11.217 44.805 -10.410 339 HA HIS 37 HA HIS 37 -12.289 46.578 -8.422 340 HB2 HIS 37 HB2 HIS 37 -10.354 44.292 -8.411 341 HB3 HIS 37 HB3 HIS 37 -10.443 45.356 -7.011 342 HD1 HIS 37 HD1 HIS 37 -12.302 44.940 -5.386 343 HD2 HIS 37 HD2 HIS 37 -12.851 42.925 -8.977 344 HE1 HIS 37 HE1 HIS 37 -14.281 43.434 -5.016 345 H GLN 38 H GLN 38 -8.912 45.874 -9.340 346 HA GLN 38 HA GLN 38 -7.826 48.140 -8.098 347 HB2 GLN 38 HB2 GLN 38 -6.878 45.959 -9.674 348 HB3 GLN 38 HB3 GLN 38 -6.207 47.445 -10.333 349 HG2 GLN 38 HG2 GLN 38 -4.750 47.597 -8.677 350 HG3 GLN 38 HG3 GLN 38 -6.027 47.459 -7.469 351 HE21 GLN 38 HE21 GLN 38 -3.506 45.856 -9.151 352 HE22 GLN 38 HE22 GLN 38 -3.618 44.341 -8.330 353 H LYS 39 H LYS 39 -6.337 49.606 -9.703 354 HA LYS 39 HA LYS 39 -6.394 51.503 -10.963 355 HB2 LYS 39 HB2 LYS 39 -6.486 49.643 -12.698 356 HB3 LYS 39 HB3 LYS 39 -8.215 49.951 -12.801 357 HG2 LYS 39 HG2 LYS 39 -7.193 52.454 -13.117 358 HG3 LYS 39 HG3 LYS 39 -5.964 51.458 -13.900 359 HD2 LYS 39 HD2 LYS 39 -8.072 50.316 -14.994 360 HD3 LYS 39 HD3 LYS 39 -8.829 51.865 -14.616 361 HE2 LYS 39 HE2 LYS 39 -6.653 52.826 -15.738 362 HE3 LYS 39 HE3 LYS 39 -6.607 51.239 -16.503 363 HZ1 LYS 39 HZ1 LYS 39 -8.034 52.049 -17.975 364 HZ2 LYS 39 HZ2 LYS 39 -8.279 53.465 -17.083 365 HZ3 LYS 39 HZ3 LYS 39 -9.206 52.089 -16.756 Start of MODEL 13 1 H1 LYS 1 H LYS 1 8.739 -3.363 0.116 2 HA LYS 1 HA LYS 1 7.393 -1.100 0.302 3 HB2 LYS 1 HB2 LYS 1 10.181 -1.712 -0.178 4 HB3 LYS 1 HB3 LYS 1 9.746 -0.169 -0.900 5 HG2 LYS 1 HG2 LYS 1 8.597 0.106 1.516 6 HG3 LYS 1 HG3 LYS 1 9.951 -0.948 1.930 7 HD2 LYS 1 HD2 LYS 1 10.535 1.371 0.181 8 HD3 LYS 1 HD3 LYS 1 10.154 1.717 1.869 9 HE2 LYS 1 HE2 LYS 1 12.299 1.287 2.302 10 HE3 LYS 1 HE3 LYS 1 11.907 -0.409 2.025 11 HZ1 LYS 1 HZ1 LYS 1 13.618 -0.130 0.569 12 HZ2 LYS 1 HZ2 LYS 1 13.267 1.496 0.264 13 HZ3 LYS 1 HZ3 LYS 1 12.331 0.280 -0.450 14 H THR 2 H THR 2 5.898 -0.270 -1.003 15 HA THR 2 HA THR 2 5.742 -0.594 -3.769 16 HB THR 2 HB THR 2 4.210 1.464 -3.658 17 HG1 THR 2 HG1 THR 2 4.495 2.559 -1.863 18 HG21 THR 2 HG21 THR 2 3.879 -1.201 -2.500 19 HG22 THR 2 HG22 THR 2 2.836 -0.312 -3.609 20 HG23 THR 2 HG23 THR 2 2.737 -0.012 -1.875 21 H LYS 3 H LYS 3 5.704 1.277 -5.357 22 HA LYS 3 HA LYS 3 8.197 2.800 -5.044 23 HB2 LYS 3 HB2 LYS 3 8.197 2.980 -7.489 24 HB3 LYS 3 HB3 LYS 3 8.125 1.300 -6.974 25 HG2 LYS 3 HG2 LYS 3 6.108 0.969 -7.897 26 HG3 LYS 3 HG3 LYS 3 5.515 2.563 -7.427 27 HD2 LYS 3 HD2 LYS 3 6.078 3.483 -9.398 28 HD3 LYS 3 HD3 LYS 3 7.613 2.614 -9.473 29 HE2 LYS 3 HE2 LYS 3 4.980 1.253 -9.967 30 HE3 LYS 3 HE3 LYS 3 5.862 2.074 -11.253 31 HZ1 LYS 3 HZ1 LYS 3 6.351 -0.305 -11.160 32 HZ2 LYS 3 HZ2 LYS 3 6.946 -0.132 -9.587 33 HZ3 LYS 3 HZ3 LYS 3 7.735 0.624 -10.877 34 H LEU 4 H LEU 4 5.562 3.560 -3.932 35 HA LEU 4 HA LEU 4 4.520 5.702 -5.502 36 HB2 LEU 4 HB2 LEU 4 3.764 4.311 -3.198 37 HB3 LEU 4 HB3 LEU 4 3.995 5.979 -2.681 38 HG LEU 4 HG LEU 4 2.448 6.600 -4.628 39 HD11 LEU 4 HD11 LEU 4 2.686 4.009 -5.329 40 HD12 LEU 4 HD12 LEU 4 1.315 5.026 -5.770 41 HD13 LEU 4 HD13 LEU 4 1.201 3.945 -4.381 42 HD21 LEU 4 HD21 LEU 4 0.449 5.585 -3.149 43 HD22 LEU 4 HD22 LEU 4 1.393 6.996 -2.671 44 HD23 LEU 4 HD23 LEU 4 1.785 5.408 -2.011 45 H THR 5 H THR 5 6.887 5.437 -2.921 46 HA THR 5 HA THR 5 7.178 8.071 -2.158 47 HB THR 5 HB THR 5 9.650 6.438 -2.563 48 HG1 THR 5 HG1 THR 5 9.079 5.131 -0.813 49 HG21 THR 5 HG21 THR 5 9.275 8.765 -1.323 50 HG22 THR 5 HG22 THR 5 10.445 7.576 -0.751 51 HG23 THR 5 HG23 THR 5 8.859 7.690 0.011 52 H GLU 6 H GLU 6 8.203 6.518 -5.108 53 HA GLU 6 HA GLU 6 9.909 8.686 -5.935 54 HB2 GLU 6 HB2 GLU 6 9.352 6.011 -6.809 55 HB3 GLU 6 HB3 GLU 6 9.179 7.111 -8.169 56 HG2 GLU 6 HG2 GLU 6 11.371 7.272 -8.384 57 HG3 GLU 6 HG3 GLU 6 11.543 7.769 -6.702 58 H GLU 7 H GLU 7 6.908 7.327 -7.314 59 HA GLU 7 HA GLU 7 6.365 9.370 -9.099 60 HB2 GLU 7 HB2 GLU 7 5.131 7.039 -8.402 61 HB3 GLU 7 HB3 GLU 7 3.992 8.226 -7.783 62 HG2 GLU 7 HG2 GLU 7 4.268 9.290 -10.153 63 HG3 GLU 7 HG3 GLU 7 4.815 7.672 -10.589 64 H GLU 8 H GLU 8 5.952 9.282 -5.657 65 HA GLU 8 HA GLU 8 4.074 11.372 -5.388 66 HB2 GLU 8 HB2 GLU 8 4.807 9.698 -3.615 67 HB3 GLU 8 HB3 GLU 8 6.233 10.702 -3.393 68 HG2 GLU 8 HG2 GLU 8 4.699 11.331 -1.721 69 HG3 GLU 8 HG3 GLU 8 4.684 12.620 -2.922 70 H LYS 9 H LYS 9 7.606 11.435 -4.879 71 HA LYS 9 HA LYS 9 7.879 14.181 -4.573 72 HB2 LYS 9 HB2 LYS 9 10.134 13.815 -4.620 73 HB3 LYS 9 HB3 LYS 9 9.594 12.157 -4.394 74 HG2 LYS 9 HG2 LYS 9 9.741 11.826 -6.846 75 HG3 LYS 9 HG3 LYS 9 10.416 13.451 -6.984 76 HD2 LYS 9 HD2 LYS 9 11.604 11.176 -5.395 77 HD3 LYS 9 HD3 LYS 9 12.173 11.743 -6.967 78 HE2 LYS 9 HE2 LYS 9 13.496 13.174 -5.900 79 HE3 LYS 9 HE3 LYS 9 12.053 14.018 -5.342 80 HZ1 LYS 9 HZ1 LYS 9 12.095 12.153 -3.535 81 HZ2 LYS 9 HZ2 LYS 9 13.060 13.532 -3.369 82 HZ3 LYS 9 HZ3 LYS 9 13.741 12.086 -3.923 83 H ASN 10 H ASN 10 7.545 12.264 -7.473 84 HA ASN 10 HA ASN 10 8.389 14.255 -9.313 85 HB2 ASN 10 HB2 ASN 10 6.734 11.752 -9.590 86 HB3 ASN 10 HB3 ASN 10 7.045 12.815 -10.959 87 HD21 ASN 10 HD21 ASN 10 8.108 10.163 -9.302 88 HD22 ASN 10 HD22 ASN 10 9.734 10.102 -9.884 89 H ARG 11 H ARG 11 5.474 13.721 -7.559 90 HA ARG 11 HA ARG 11 3.864 15.380 -9.315 91 HB2 ARG 11 HB2 ARG 11 3.063 13.319 -7.967 92 HB3 ARG 11 HB3 ARG 11 3.022 14.420 -6.596 93 HG2 ARG 11 HG2 ARG 11 1.629 15.884 -8.329 94 HG3 ARG 11 HG3 ARG 11 1.273 14.281 -8.975 95 HD2 ARG 11 HD2 ARG 11 -0.408 14.971 -7.345 96 HD3 ARG 11 HD3 ARG 11 0.489 13.561 -6.781 97 HE ARG 11 HE ARG 11 1.823 15.662 -5.689 98 HH11 ARG 11 HH11 ARG 11 -1.839 15.285 -4.115 99 HH12 ARG 11 HH12 ARG 11 -1.500 14.621 -5.679 100 HH21 ARG 11 HH21 ARG 11 -0.196 16.378 -2.950 101 HH22 ARG 11 HH22 ARG 11 1.388 16.541 -3.629 102 H LEU 12 H LEU 12 5.396 15.563 -6.145 103 HA LEU 12 HA LEU 12 4.326 17.862 -5.113 104 HB2 LEU 12 HB2 LEU 12 7.271 17.257 -5.046 105 HB3 LEU 12 HB3 LEU 12 6.322 18.135 -3.849 106 HG LEU 12 HG LEU 12 6.199 15.176 -4.422 107 HD11 LEU 12 HD11 LEU 12 7.509 14.838 -2.620 108 HD12 LEU 12 HD12 LEU 12 6.862 16.229 -1.751 109 HD13 LEU 12 HD13 LEU 12 8.084 16.462 -3.001 110 HD21 LEU 12 HD21 LEU 12 4.420 17.002 -2.922 111 HD22 LEU 12 HD22 LEU 12 4.821 15.468 -2.150 112 HD23 LEU 12 HD23 LEU 12 4.060 15.482 -3.742 113 H ASN 13 H ASN 13 7.422 17.872 -6.884 114 HA ASN 13 HA ASN 13 7.600 20.599 -7.276 115 HB2 ASN 13 HB2 ASN 13 9.099 20.062 -9.185 116 HB3 ASN 13 HB3 ASN 13 9.470 19.125 -7.741 117 HD21 ASN 13 HD21 ASN 13 9.587 16.995 -7.919 118 HD22 ASN 13 HD22 ASN 13 9.061 16.071 -9.280 119 H PHE 14 H PHE 14 5.831 18.201 -9.137 120 HA PHE 14 HA PHE 14 5.223 19.755 -11.385 121 HB2 PHE 14 HB2 PHE 14 4.832 17.241 -10.987 122 HB3 PHE 14 HB3 PHE 14 3.325 17.730 -10.219 123 HD1 PHE 14 HD1 PHE 14 1.493 17.459 -11.556 124 HD2 PHE 14 HD2 PHE 14 5.168 18.666 -13.331 125 HE1 PHE 14 HE1 PHE 14 0.398 17.542 -13.758 126 HE2 PHE 14 HE2 PHE 14 4.079 18.753 -15.535 127 HZ PHE 14 HZ PHE 14 1.691 18.191 -15.751 128 H LEU 15 H LEU 15 2.886 18.934 -8.825 129 HA LEU 15 HA LEU 15 0.996 20.841 -9.421 130 HB2 LEU 15 HB2 LEU 15 1.739 19.329 -6.990 131 HB3 LEU 15 HB3 LEU 15 0.696 20.730 -6.761 132 HG LEU 15 HG LEU 15 -0.099 18.773 -8.844 133 HD11 LEU 15 HD11 LEU 15 -0.318 17.011 -7.519 134 HD12 LEU 15 HD12 LEU 15 -1.196 17.968 -6.327 135 HD13 LEU 15 HD13 LEU 15 0.564 17.882 -6.264 136 HD21 LEU 15 HD21 LEU 15 -1.392 20.659 -6.928 137 HD22 LEU 15 HD22 LEU 15 -2.319 19.301 -7.567 138 HD23 LEU 15 HD23 LEU 15 -1.620 20.488 -8.669 139 H LYS 16 H LYS 16 3.909 21.177 -7.471 140 HA LYS 16 HA LYS 16 3.414 23.683 -6.349 141 HB2 LYS 16 HB2 LYS 16 5.911 22.186 -7.059 142 HB3 LYS 16 HB3 LYS 16 6.022 23.844 -6.484 143 HG2 LYS 16 HG2 LYS 16 4.295 22.473 -4.724 144 HG3 LYS 16 HG3 LYS 16 5.705 21.444 -4.986 145 HD2 LYS 16 HD2 LYS 16 6.033 24.363 -4.394 146 HD3 LYS 16 HD3 LYS 16 5.765 23.206 -3.088 147 HE2 LYS 16 HE2 LYS 16 7.848 22.400 -3.230 148 HE3 LYS 16 HE3 LYS 16 7.803 22.349 -4.992 149 HZ1 LYS 16 HZ1 LYS 16 8.134 24.829 -4.899 150 HZ2 LYS 16 HZ2 LYS 16 9.460 23.892 -4.425 151 HZ3 LYS 16 HZ3 LYS 16 8.496 24.646 -3.256 152 H LYS 17 H LYS 17 5.082 22.866 -9.385 153 HA LYS 17 HA LYS 17 5.366 25.620 -10.145 154 HB2 LYS 17 HB2 LYS 17 6.735 23.430 -10.828 155 HB3 LYS 17 HB3 LYS 17 5.594 23.447 -12.166 156 HG2 LYS 17 HG2 LYS 17 6.783 24.998 -13.197 157 HG3 LYS 17 HG3 LYS 17 6.629 26.078 -11.809 158 HD2 LYS 17 HD2 LYS 17 8.653 25.448 -10.923 159 HD3 LYS 17 HD3 LYS 17 8.611 23.855 -11.683 160 HE2 LYS 17 HE2 LYS 17 10.279 25.029 -12.840 161 HE3 LYS 17 HE3 LYS 17 8.870 25.091 -13.898 162 HZ1 LYS 17 HZ1 LYS 17 8.816 27.302 -12.165 163 HZ2 LYS 17 HZ2 LYS 17 8.956 27.288 -13.850 164 HZ3 LYS 17 HZ3 LYS 17 10.344 27.226 -12.886 165 H ILE 18 H ILE 18 2.900 23.278 -10.388 166 HA ILE 18 HA ILE 18 1.644 24.258 -12.761 167 HB ILE 18 HB ILE 18 0.729 22.448 -10.543 168 HG12 ILE 18 HG12 ILE 18 2.308 21.677 -12.373 169 HG13 ILE 18 HG13 ILE 18 0.830 20.738 -12.195 170 HG21 ILE 18 HG21 ILE 18 -1.253 22.107 -12.259 171 HG22 ILE 18 HG22 ILE 18 -1.327 23.328 -10.989 172 HG23 ILE 18 HG23 ILE 18 -0.895 23.793 -12.634 173 HD11 ILE 18 HD11 ILE 18 -0.120 21.698 -14.129 174 HD12 ILE 18 HD12 ILE 18 1.130 22.939 -14.212 175 HD13 ILE 18 HD13 ILE 18 1.535 21.256 -14.547 176 H SER 19 H SER 19 0.872 24.565 -9.295 177 HA SER 19 HA SER 19 -1.272 26.372 -9.677 178 HB2 SER 19 HB2 SER 19 -0.588 24.916 -7.593 179 HB3 SER 19 HB3 SER 19 0.324 26.356 -7.141 180 HG SER 19 HG SER 19 -1.517 27.017 -6.380 181 H GLN 20 H GLN 20 2.110 26.769 -9.787 182 HA GLN 20 HA GLN 20 1.996 29.624 -9.207 183 HB2 GLN 20 HB2 GLN 20 4.194 27.635 -9.596 184 HB3 GLN 20 HB3 GLN 20 4.536 29.343 -9.837 185 HG2 GLN 20 HG2 GLN 20 3.928 29.856 -7.590 186 HG3 GLN 20 HG3 GLN 20 3.319 28.223 -7.327 187 HE21 GLN 20 HE21 GLN 20 4.745 28.161 -5.504 188 HE22 GLN 20 HE22 GLN 20 6.420 27.803 -5.726 189 H ARG 21 H ARG 21 2.768 27.441 -11.890 190 HA ARG 21 HA ARG 21 3.272 29.557 -13.746 191 HB2 ARG 21 HB2 ARG 21 4.240 27.271 -13.952 192 HB3 ARG 21 HB3 ARG 21 2.632 26.659 -14.314 193 HG2 ARG 21 HG2 ARG 21 2.539 27.915 -16.346 194 HG3 ARG 21 HG3 ARG 21 4.041 28.753 -15.951 195 HD2 ARG 21 HD2 ARG 21 4.163 25.804 -15.996 196 HD3 ARG 21 HD3 ARG 21 3.909 26.594 -17.552 197 HE ARG 21 HE ARG 21 6.325 26.514 -16.061 198 HH11 ARG 21 HH11 ARG 21 5.803 29.420 -18.765 199 HH12 ARG 21 HH12 ARG 21 4.435 28.538 -18.171 200 HH21 ARG 21 HH21 ARG 21 7.906 28.924 -18.006 201 HH22 ARG 21 HH22 ARG 21 8.134 27.668 -16.836 202 H TYR 22 H TYR 22 0.552 27.347 -13.178 203 HA TYR 22 HA TYR 22 -1.103 28.134 -15.255 204 HB2 TYR 22 HB2 TYR 22 -1.577 26.217 -13.792 205 HB3 TYR 22 HB3 TYR 22 -1.918 27.313 -12.458 206 HD1 TYR 22 HD1 TYR 22 -3.094 26.201 -15.786 207 HD2 TYR 22 HD2 TYR 22 -4.043 28.340 -12.232 208 HE1 TYR 22 HE1 TYR 22 -5.449 26.309 -16.487 209 HE2 TYR 22 HE2 TYR 22 -6.401 28.453 -12.923 210 HH TYR 22 HH TYR 22 -7.951 27.365 -14.365 211 H GLN 23 H GLN 23 -0.956 29.452 -11.952 212 HA GLN 23 HA GLN 23 -2.887 31.482 -12.436 213 HB2 GLN 23 HB2 GLN 23 -1.959 30.447 -10.189 214 HB3 GLN 23 HB3 GLN 23 -0.816 31.778 -10.305 215 HG2 GLN 23 HG2 GLN 23 -3.227 33.003 -10.771 216 HG3 GLN 23 HG3 GLN 23 -3.628 31.783 -9.564 217 HE21 GLN 23 HE21 GLN 23 -1.455 31.671 -8.003 218 HE22 GLN 23 HE22 GLN 23 -1.165 33.192 -7.238 219 H LYS 24 H LYS 24 0.180 31.129 -13.601 220 HA LYS 24 HA LYS 24 0.616 34.037 -13.775 221 HB2 LYS 24 HB2 LYS 24 2.450 31.734 -13.489 222 HB3 LYS 24 HB3 LYS 24 2.978 33.000 -14.590 223 HG2 LYS 24 HG2 LYS 24 1.987 34.100 -12.108 224 HG3 LYS 24 HG3 LYS 24 3.294 32.945 -11.839 225 HD2 LYS 24 HD2 LYS 24 4.806 34.179 -13.124 226 HD3 LYS 24 HD3 LYS 24 3.523 35.087 -13.927 227 HE2 LYS 24 HE2 LYS 24 3.010 35.939 -11.514 228 HE3 LYS 24 HE3 LYS 24 4.666 35.429 -11.187 229 HZ1 LYS 24 HZ1 LYS 24 3.726 37.731 -12.584 230 HZ2 LYS 24 HZ2 LYS 24 4.823 36.848 -13.521 231 HZ3 LYS 24 HZ3 LYS 24 5.273 37.396 -11.984 232 H PHE 25 H PHE 25 -0.546 31.480 -15.492 233 HA PHE 25 HA PHE 25 0.046 32.817 -18.039 234 HB2 PHE 25 HB2 PHE 25 0.817 30.140 -17.257 235 HB3 PHE 25 HB3 PHE 25 -0.251 30.099 -18.656 236 HD1 PHE 25 HD1 PHE 25 0.556 30.593 -20.786 237 HD2 PHE 25 HD2 PHE 25 2.872 31.624 -17.367 238 HE1 PHE 25 HE1 PHE 25 2.448 31.176 -22.247 239 HE2 PHE 25 HE2 PHE 25 4.767 32.209 -18.823 240 HZ PHE 25 HZ PHE 25 4.556 31.986 -21.266 241 H ALA 26 H ALA 26 -2.251 32.093 -15.915 242 HA ALA 26 HA ALA 26 -4.286 31.462 -17.949 243 HB1 ALA 26 HB1 ALA 26 -5.707 30.774 -16.025 244 HB2 ALA 26 HB2 ALA 26 -4.248 29.802 -16.221 245 HB3 ALA 26 HB3 ALA 26 -4.322 31.039 -14.965 246 H LEU 27 H LEU 27 -4.666 32.930 -14.754 247 HA LEU 27 HA LEU 27 -5.857 34.764 -14.095 248 HB2 LEU 27 HB2 LEU 27 -4.418 35.996 -16.440 249 HB3 LEU 27 HB3 LEU 27 -5.122 36.864 -15.077 250 HG LEU 27 HG LEU 27 -2.856 36.865 -14.593 251 HD11 LEU 27 HD11 LEU 27 -4.479 35.657 -12.880 252 HD12 LEU 27 HD12 LEU 27 -2.751 35.825 -12.575 253 HD13 LEU 27 HD13 LEU 27 -3.393 34.305 -13.196 254 HD21 LEU 27 HD21 LEU 27 -2.476 35.079 -16.455 255 HD22 LEU 27 HD22 LEU 27 -2.488 33.946 -15.103 256 HD23 LEU 27 HD23 LEU 27 -1.305 35.254 -15.147 257 HA PRO 28 HA PRO 28 -8.935 34.225 -17.618 258 HB2 PRO 28 HB2 PRO 28 -10.782 32.841 -16.190 259 HB3 PRO 28 HB3 PRO 28 -9.468 32.057 -17.076 260 HG2 PRO 28 HG2 PRO 28 -9.667 32.698 -14.158 261 HG3 PRO 28 HG3 PRO 28 -9.073 31.223 -14.941 262 HD2 PRO 28 HD2 PRO 28 -7.411 33.130 -13.974 263 HD3 PRO 28 HD3 PRO 28 -7.010 32.145 -15.396 264 H GLN 29 H GLN 29 -9.322 34.954 -14.179 265 HA GLN 29 HA GLN 29 -11.279 37.029 -14.918 266 HB2 GLN 29 HB2 GLN 29 -11.350 34.981 -12.773 267 HB3 GLN 29 HB3 GLN 29 -11.923 36.588 -12.346 268 HG2 GLN 29 HG2 GLN 29 -13.862 36.187 -13.320 269 HG3 GLN 29 HG3 GLN 29 -13.054 35.855 -14.851 270 HE21 GLN 29 HE21 GLN 29 -15.369 34.627 -13.304 271 HE22 GLN 29 HE22 GLN 29 -15.029 32.933 -13.332 272 H TYR 30 H TYR 30 -8.318 36.278 -13.449 273 HA TYR 30 HA TYR 30 -8.095 38.241 -11.474 274 HB2 TYR 30 HB2 TYR 30 -6.471 36.418 -11.756 275 HB3 TYR 30 HB3 TYR 30 -5.926 37.132 -13.269 276 HD1 TYR 30 HD1 TYR 30 -6.221 37.852 -9.627 277 HD2 TYR 30 HD2 TYR 30 -4.181 38.680 -13.268 278 HE1 TYR 30 HE1 TYR 30 -4.573 39.195 -8.391 279 HE2 TYR 30 HE2 TYR 30 -2.527 40.025 -12.042 280 HH TYR 30 HH TYR 30 -2.971 41.172 -9.014 281 H LEU 31 H LEU 31 -6.860 38.382 -14.820 282 HA LEU 31 HA LEU 31 -6.386 41.205 -14.651 283 HB2 LEU 31 HB2 LEU 31 -6.009 40.911 -17.167 284 HB3 LEU 31 HB3 LEU 31 -4.901 40.110 -16.056 285 HG LEU 31 HG LEU 31 -6.038 37.985 -16.439 286 HD11 LEU 31 HD11 LEU 31 -8.242 38.339 -16.910 287 HD12 LEU 31 HD12 LEU 31 -7.625 38.090 -18.543 288 HD13 LEU 31 HD13 LEU 31 -7.915 39.725 -17.950 289 HD21 LEU 31 HD21 LEU 31 -4.225 38.255 -17.868 290 HD22 LEU 31 HD22 LEU 31 -5.018 39.529 -18.795 291 HD23 LEU 31 HD23 LEU 31 -5.546 37.854 -18.966 292 H LYS 32 H LYS 32 -9.174 39.554 -14.831 293 HA LYS 32 HA LYS 32 -10.476 41.414 -16.693 294 HB2 LYS 32 HB2 LYS 32 -10.770 38.859 -16.837 295 HB3 LYS 32 HB3 LYS 32 -11.781 39.026 -15.407 296 HG2 LYS 32 HG2 LYS 32 -13.261 40.537 -16.621 297 HG3 LYS 32 HG3 LYS 32 -12.242 40.387 -18.055 298 HD2 LYS 32 HD2 LYS 32 -13.964 38.871 -18.457 299 HD3 LYS 32 HD3 LYS 32 -12.668 37.854 -17.823 300 HE2 LYS 32 HE2 LYS 32 -14.293 37.080 -16.468 301 HE3 LYS 32 HE3 LYS 32 -13.921 38.527 -15.531 302 HZ1 LYS 32 HZ1 LYS 32 -16.024 38.397 -17.620 303 HZ2 LYS 32 HZ2 LYS 32 -15.728 39.676 -16.554 304 HZ3 LYS 32 HZ3 LYS 32 -16.319 38.204 -15.966 305 H THR 33 H THR 33 -10.348 40.428 -13.351 306 HA THR 33 HA THR 33 -12.575 42.195 -12.659 307 HB THR 33 HB THR 33 -11.093 40.061 -11.155 308 HG1 THR 33 HG1 THR 33 -13.705 40.545 -12.063 309 HG21 THR 33 HG21 THR 33 -11.157 41.483 -9.375 310 HG22 THR 33 HG22 THR 33 -12.811 40.877 -9.282 311 HG23 THR 33 HG23 THR 33 -12.483 42.434 -10.042 312 H VAL 34 H VAL 34 -9.115 41.777 -12.102 313 HA VAL 34 HA VAL 34 -8.844 43.939 -10.277 314 HB VAL 34 HB VAL 34 -6.800 42.553 -12.014 315 HG11 VAL 34 HG11 VAL 34 -6.596 44.989 -10.485 316 HG12 VAL 34 HG12 VAL 34 -5.510 43.750 -9.852 317 HG13 VAL 34 HG13 VAL 34 -5.412 44.227 -11.547 318 HG21 VAL 34 HG21 VAL 34 -7.630 42.260 -9.138 319 HG22 VAL 34 HG22 VAL 34 -7.645 41.037 -10.408 320 HG23 VAL 34 HG23 VAL 34 -6.110 41.619 -9.764 321 H TYR 35 H TYR 35 -8.500 43.635 -13.777 322 HA TYR 35 HA TYR 35 -7.433 46.192 -14.266 323 HB2 TYR 35 HB2 TYR 35 -7.879 44.029 -15.811 324 HB3 TYR 35 HB3 TYR 35 -9.238 45.030 -16.310 325 HD1 TYR 35 HD1 TYR 35 -5.814 44.320 -16.829 326 HD2 TYR 35 HD2 TYR 35 -8.654 47.484 -16.983 327 HE1 TYR 35 HE1 TYR 35 -4.328 45.572 -18.336 328 HE2 TYR 35 HE2 TYR 35 -7.177 48.745 -18.491 329 HH TYR 35 HH TYR 35 -5.335 48.245 -20.107 330 H GLN 36 H GLN 36 -10.648 45.104 -13.584 331 HA GLN 36 HA GLN 36 -11.816 47.648 -14.416 332 HB2 GLN 36 HB2 GLN 36 -12.791 45.144 -14.633 333 HB3 GLN 36 HB3 GLN 36 -13.494 45.601 -13.087 334 HG2 GLN 36 HG2 GLN 36 -13.897 47.767 -14.843 335 HG3 GLN 36 HG3 GLN 36 -14.326 46.299 -15.720 336 HE21 GLN 36 HE21 GLN 36 -14.972 48.217 -12.865 337 HE22 GLN 36 HE22 GLN 36 -16.542 47.570 -12.550 338 H HIS 37 H HIS 37 -11.269 45.706 -11.520 339 HA HIS 37 HA HIS 37 -12.507 47.671 -9.798 340 HB2 HIS 37 HB2 HIS 37 -11.167 45.023 -9.373 341 HB3 HIS 37 HB3 HIS 37 -11.433 46.099 -8.004 342 HD1 HIS 37 HD1 HIS 37 -13.767 46.212 -7.050 343 HD2 HIS 37 HD2 HIS 37 -13.577 44.079 -10.610 344 HE1 HIS 37 HE1 HIS 37 -16.019 45.124 -7.303 345 H GLN 38 H GLN 38 -9.308 46.162 -9.462 346 HA GLN 38 HA GLN 38 -8.206 48.409 -8.145 347 HB2 GLN 38 HB2 GLN 38 -7.413 45.749 -8.737 348 HB3 GLN 38 HB3 GLN 38 -6.142 46.816 -9.319 349 HG2 GLN 38 HG2 GLN 38 -5.542 47.466 -7.242 350 HG3 GLN 38 HG3 GLN 38 -7.187 47.371 -6.617 351 HE21 GLN 38 HE21 GLN 38 -4.384 45.463 -7.545 352 HE22 GLN 38 HE22 GLN 38 -4.727 44.118 -6.516 353 H LYS 39 H LYS 39 -6.174 49.508 -8.938 354 HA LYS 39 HA LYS 39 -5.277 51.052 -10.354 355 HB2 LYS 39 HB2 LYS 39 -4.943 48.581 -11.469 356 HB3 LYS 39 HB3 LYS 39 -5.743 49.445 -12.776 357 HG2 LYS 39 HG2 LYS 39 -3.993 50.882 -13.088 358 HG3 LYS 39 HG3 LYS 39 -3.436 50.741 -11.419 359 HD2 LYS 39 HD2 LYS 39 -1.835 49.625 -12.773 360 HD3 LYS 39 HD3 LYS 39 -2.773 48.371 -11.958 361 HE2 LYS 39 HE2 LYS 39 -4.124 48.067 -13.967 362 HE3 LYS 39 HE3 LYS 39 -3.219 49.344 -14.780 363 HZ1 LYS 39 HZ1 LYS 39 -1.334 47.562 -13.850 364 HZ2 LYS 39 HZ2 LYS 39 -1.827 47.776 -15.454 365 HZ3 LYS 39 HZ3 LYS 39 -2.568 46.599 -14.492 Start of MODEL 14 1 H1 LYS 1 H LYS 1 11.918 1.670 1.061 2 HA LYS 1 HA LYS 1 10.622 4.297 1.122 3 HB2 LYS 1 HB2 LYS 1 13.434 3.701 0.356 4 HB3 LYS 1 HB3 LYS 1 12.560 4.870 -0.625 5 HG2 LYS 1 HG2 LYS 1 13.527 6.242 0.926 6 HG3 LYS 1 HG3 LYS 1 11.970 5.925 1.695 7 HD2 LYS 1 HD2 LYS 1 13.482 3.848 2.616 8 HD3 LYS 1 HD3 LYS 1 14.676 5.144 2.513 9 HE2 LYS 1 HE2 LYS 1 13.910 5.910 4.454 10 HE3 LYS 1 HE3 LYS 1 12.400 6.313 3.639 11 HZ1 LYS 1 HZ1 LYS 1 12.737 4.507 5.680 12 HZ2 LYS 1 HZ2 LYS 1 12.509 3.550 4.304 13 HZ3 LYS 1 HZ3 LYS 1 11.352 4.709 4.730 14 H THR 2 H THR 2 8.935 2.882 0.179 15 HA THR 2 HA THR 2 8.958 3.107 -2.678 16 HB THR 2 HB THR 2 8.264 0.345 -2.117 17 HG1 THR 2 HG1 THR 2 10.208 -0.394 -1.451 18 HG21 THR 2 HG21 THR 2 9.046 0.061 -4.209 19 HG22 THR 2 HG22 THR 2 10.537 0.941 -3.875 20 HG23 THR 2 HG23 THR 2 9.061 1.823 -4.266 21 H LYS 3 H LYS 3 6.874 1.923 -3.558 22 HA LYS 3 HA LYS 3 4.601 1.837 -3.598 23 HB2 LYS 3 HB2 LYS 3 5.169 0.358 -1.520 24 HB3 LYS 3 HB3 LYS 3 4.529 1.716 -0.602 25 HG2 LYS 3 HG2 LYS 3 2.745 1.017 -2.748 26 HG3 LYS 3 HG3 LYS 3 3.099 -0.388 -1.741 27 HD2 LYS 3 HD2 LYS 3 2.119 0.524 0.114 28 HD3 LYS 3 HD3 LYS 3 2.474 2.181 -0.381 29 HE2 LYS 3 HE2 LYS 3 0.179 2.059 -0.654 30 HE3 LYS 3 HE3 LYS 3 0.772 1.716 -2.278 31 HZ1 LYS 3 HZ1 LYS 3 0.236 -0.489 -0.399 32 HZ2 LYS 3 HZ2 LYS 3 0.251 -0.510 -2.090 33 HZ3 LYS 3 HZ3 LYS 3 -1.035 0.215 -1.265 34 H LEU 4 H LEU 4 3.857 3.759 -4.263 35 HA LEU 4 HA LEU 4 3.185 5.942 -4.251 36 HB2 LEU 4 HB2 LEU 4 1.520 4.601 -2.773 37 HB3 LEU 4 HB3 LEU 4 2.250 5.500 -1.444 38 HG LEU 4 HG LEU 4 0.151 6.509 -2.223 39 HD11 LEU 4 HD11 LEU 4 2.472 8.285 -2.933 40 HD12 LEU 4 HD12 LEU 4 2.062 7.848 -1.274 41 HD13 LEU 4 HD13 LEU 4 0.910 8.750 -2.259 42 HD21 LEU 4 HD21 LEU 4 0.774 5.781 -4.684 43 HD22 LEU 4 HD22 LEU 4 1.453 7.408 -4.740 44 HD23 LEU 4 HD23 LEU 4 -0.256 7.178 -4.367 45 H THR 5 H THR 5 5.505 6.547 -4.157 46 HA THR 5 HA THR 5 5.917 8.440 -2.011 47 HB THR 5 HB THR 5 7.918 6.215 -2.454 48 HG1 THR 5 HG1 THR 5 6.581 5.344 -1.026 49 HG21 THR 5 HG21 THR 5 8.093 8.863 -1.158 50 HG22 THR 5 HG22 THR 5 9.358 7.865 -1.875 51 HG23 THR 5 HG23 THR 5 8.770 7.512 -0.250 52 H GLU 6 H GLU 6 7.494 6.802 -4.754 53 HA GLU 6 HA GLU 6 9.094 9.066 -5.434 54 HB2 GLU 6 HB2 GLU 6 9.611 7.789 -7.492 55 HB3 GLU 6 HB3 GLU 6 9.844 6.845 -6.028 56 HG2 GLU 6 HG2 GLU 6 7.622 5.812 -6.401 57 HG3 GLU 6 HG3 GLU 6 7.523 6.677 -7.934 58 H GLU 7 H GLU 7 6.081 7.692 -6.688 59 HA GLU 7 HA GLU 7 5.792 9.543 -8.818 60 HB2 GLU 7 HB2 GLU 7 4.523 7.228 -8.068 61 HB3 GLU 7 HB3 GLU 7 3.306 8.445 -7.709 62 HG2 GLU 7 HG2 GLU 7 3.837 9.303 -10.101 63 HG3 GLU 7 HG3 GLU 7 4.507 7.689 -10.331 64 H GLU 8 H GLU 8 4.925 9.590 -5.440 65 HA GLU 8 HA GLU 8 3.031 11.664 -5.492 66 HB2 GLU 8 HB2 GLU 8 3.672 10.078 -3.563 67 HB3 GLU 8 HB3 GLU 8 4.954 11.231 -3.220 68 HG2 GLU 8 HG2 GLU 8 3.315 11.977 -1.819 69 HG3 GLU 8 HG3 GLU 8 3.005 12.966 -3.245 70 H LYS 9 H LYS 9 6.489 11.833 -4.625 71 HA LYS 9 HA LYS 9 6.709 14.578 -4.394 72 HB2 LYS 9 HB2 LYS 9 8.982 14.262 -4.332 73 HB3 LYS 9 HB3 LYS 9 8.440 12.617 -4.029 74 HG2 LYS 9 HG2 LYS 9 8.651 12.246 -6.532 75 HG3 LYS 9 HG3 LYS 9 9.520 13.782 -6.575 76 HD2 LYS 9 HD2 LYS 9 10.901 12.664 -4.626 77 HD3 LYS 9 HD3 LYS 9 10.315 11.175 -5.370 78 HE2 LYS 9 HE2 LYS 9 11.206 12.001 -7.549 79 HE3 LYS 9 HE3 LYS 9 11.917 13.364 -6.686 80 HZ1 LYS 9 HZ1 LYS 9 13.677 12.040 -6.459 81 HZ2 LYS 9 HZ2 LYS 9 12.816 10.641 -6.862 82 HZ3 LYS 9 HZ3 LYS 9 12.785 11.225 -5.275 83 H ASN 10 H ASN 10 6.754 12.581 -7.286 84 HA ASN 10 HA ASN 10 7.636 14.551 -9.097 85 HB2 ASN 10 HB2 ASN 10 6.133 11.971 -9.365 86 HB3 ASN 10 HB3 ASN 10 6.288 13.035 -10.760 87 HD21 ASN 10 HD21 ASN 10 7.575 10.426 -9.361 88 HD22 ASN 10 HD22 ASN 10 9.208 10.545 -9.912 89 H ARG 11 H ARG 11 4.462 13.736 -7.832 90 HA ARG 11 HA ARG 11 2.987 15.366 -9.640 91 HB2 ARG 11 HB2 ARG 11 2.037 13.459 -8.324 92 HB3 ARG 11 HB3 ARG 11 2.169 14.452 -6.879 93 HG2 ARG 11 HG2 ARG 11 0.750 16.148 -8.267 94 HG3 ARG 11 HG3 ARG 11 0.315 14.712 -9.195 95 HD2 ARG 11 HD2 ARG 11 -1.341 14.933 -7.528 96 HD3 ARG 11 HD3 ARG 11 -0.283 13.629 -6.991 97 HE ARG 11 HE ARG 11 0.604 16.064 -5.897 98 HH11 ARG 11 HH11 ARG 11 -2.334 14.145 -3.970 99 HH12 ARG 11 HH12 ARG 11 -2.013 13.783 -5.634 100 HH21 ARG 11 HH21 ARG 11 -1.082 15.720 -2.875 101 HH22 ARG 11 HH22 ARG 11 0.190 16.550 -3.707 102 H LEU 12 H LEU 12 4.315 15.857 -6.403 103 HA LEU 12 HA LEU 12 3.159 18.273 -5.739 104 HB2 LEU 12 HB2 LEU 12 6.049 17.676 -5.197 105 HB3 LEU 12 HB3 LEU 12 4.914 18.589 -4.205 106 HG LEU 12 HG LEU 12 5.034 15.603 -4.590 107 HD11 LEU 12 HD11 LEU 12 6.573 16.840 -2.961 108 HD12 LEU 12 HD12 LEU 12 5.626 15.491 -2.335 109 HD13 LEU 12 HD13 LEU 12 5.113 17.148 -2.021 110 HD21 LEU 12 HD21 LEU 12 2.819 17.351 -3.733 111 HD22 LEU 12 HD22 LEU 12 3.143 15.954 -2.707 112 HD23 LEU 12 HD23 LEU 12 2.787 15.727 -4.420 113 H ASN 13 H ASN 13 6.262 17.796 -7.432 114 HA ASN 13 HA ASN 13 6.764 20.506 -7.936 115 HB2 ASN 13 HB2 ASN 13 7.641 18.300 -9.789 116 HB3 ASN 13 HB3 ASN 13 8.489 19.786 -9.372 117 HD21 ASN 13 HD21 ASN 13 8.575 16.588 -8.974 118 HD22 ASN 13 HD22 ASN 13 9.357 16.480 -7.437 119 H PHE 14 H PHE 14 4.501 18.366 -9.329 120 HA PHE 14 HA PHE 14 4.280 19.677 -11.872 121 HB2 PHE 14 HB2 PHE 14 3.622 17.247 -11.252 122 HB3 PHE 14 HB3 PHE 14 2.131 17.966 -10.653 123 HD1 PHE 14 HD1 PHE 14 4.267 17.713 -13.678 124 HD2 PHE 14 HD2 PHE 14 0.375 18.418 -12.106 125 HE1 PHE 14 HE1 PHE 14 3.344 17.683 -15.959 126 HE2 PHE 14 HE2 PHE 14 -0.554 18.388 -14.383 127 HZ PHE 14 HZ PHE 14 0.930 18.020 -16.314 128 H LEU 15 H LEU 15 1.842 19.316 -9.296 129 HA LEU 15 HA LEU 15 0.097 21.266 -10.091 130 HB2 LEU 15 HB2 LEU 15 0.802 20.053 -7.490 131 HB3 LEU 15 HB3 LEU 15 -0.123 21.552 -7.432 132 HG LEU 15 HG LEU 15 -1.156 19.443 -9.229 133 HD11 LEU 15 HD11 LEU 15 -1.090 19.169 -6.236 134 HD12 LEU 15 HD12 LEU 15 -0.585 17.997 -7.453 135 HD13 LEU 15 HD13 LEU 15 -2.296 18.370 -7.246 136 HD21 LEU 15 HD21 LEU 15 -3.213 20.365 -8.702 137 HD22 LEU 15 HD22 LEU 15 -2.141 21.764 -8.633 138 HD23 LEU 15 HD23 LEU 15 -2.657 20.973 -7.142 139 H LYS 16 H LYS 16 2.862 21.700 -7.893 140 HA LYS 16 HA LYS 16 2.559 24.419 -7.401 141 HB2 LYS 16 HB2 LYS 16 4.779 24.407 -6.605 142 HB3 LYS 16 HB3 LYS 16 4.180 22.780 -6.312 143 HG2 LYS 16 HG2 LYS 16 6.183 22.242 -7.210 144 HG3 LYS 16 HG3 LYS 16 5.261 22.376 -8.709 145 HD2 LYS 16 HD2 LYS 16 6.200 24.416 -9.257 146 HD3 LYS 16 HD3 LYS 16 6.613 24.792 -7.583 147 HE2 LYS 16 HE2 LYS 16 7.912 22.487 -8.979 148 HE3 LYS 16 HE3 LYS 16 8.490 24.130 -9.253 149 HZ1 LYS 16 HZ1 LYS 16 9.742 23.127 -7.492 150 HZ2 LYS 16 HZ2 LYS 16 8.336 22.722 -6.643 151 HZ3 LYS 16 HZ3 LYS 16 8.773 24.346 -6.831 152 H LYS 17 H LYS 17 3.998 22.757 -10.136 153 HA LYS 17 HA LYS 17 4.888 25.265 -11.321 154 HB2 LYS 17 HB2 LYS 17 5.235 22.366 -12.011 155 HB3 LYS 17 HB3 LYS 17 5.539 23.602 -13.225 156 HG2 LYS 17 HG2 LYS 17 6.947 24.556 -11.095 157 HG3 LYS 17 HG3 LYS 17 7.129 22.811 -10.905 158 HD2 LYS 17 HD2 LYS 17 8.895 23.251 -12.295 159 HD3 LYS 17 HD3 LYS 17 7.637 22.926 -13.490 160 HE2 LYS 17 HE2 LYS 17 7.401 25.160 -14.039 161 HE3 LYS 17 HE3 LYS 17 8.063 25.714 -12.501 162 HZ1 LYS 17 HZ1 LYS 17 9.930 26.037 -13.645 163 HZ2 LYS 17 HZ2 LYS 17 9.416 25.103 -14.958 164 HZ3 LYS 17 HZ3 LYS 17 10.126 24.357 -13.616 165 H ILE 18 H ILE 18 2.037 23.654 -11.116 166 HA ILE 18 HA ILE 18 1.179 24.204 -13.857 167 HB ILE 18 HB ILE 18 -0.076 22.703 -11.576 168 HG12 ILE 18 HG12 ILE 18 1.578 21.613 -13.136 169 HG13 ILE 18 HG13 ILE 18 -0.001 20.838 -13.075 170 HG21 ILE 18 HG21 ILE 18 -1.941 23.862 -12.372 171 HG22 ILE 18 HG22 ILE 18 -1.393 23.778 -14.046 172 HG23 ILE 18 HG23 ILE 18 -1.990 22.327 -13.240 173 HD11 ILE 18 HD11 ILE 18 0.401 22.885 -15.165 174 HD12 ILE 18 HD12 ILE 18 1.268 21.360 -15.349 175 HD13 ILE 18 HD13 ILE 18 -0.491 21.365 -15.216 176 H SER 19 H SER 19 0.766 25.342 -10.584 177 HA SER 19 HA SER 19 -1.315 27.221 -11.422 178 HB2 SER 19 HB2 SER 19 -0.248 27.001 -8.621 179 HB3 SER 19 HB3 SER 19 -1.848 27.509 -9.160 180 HG SER 19 HG SER 19 -2.030 25.441 -8.368 181 H GLN 20 H GLN 20 1.974 27.103 -11.334 182 HA GLN 20 HA GLN 20 2.233 29.978 -10.758 183 HB2 GLN 20 HB2 GLN 20 4.183 27.699 -10.540 184 HB3 GLN 20 HB3 GLN 20 4.734 29.367 -10.624 185 HG2 GLN 20 HG2 GLN 20 2.802 28.338 -8.562 186 HG3 GLN 20 HG3 GLN 20 4.545 28.443 -8.322 187 HE21 GLN 20 HE21 GLN 20 1.667 29.992 -7.868 188 HE22 GLN 20 HE22 GLN 20 2.245 31.603 -7.638 189 H ARG 21 H ARG 21 3.044 27.421 -13.043 190 HA ARG 21 HA ARG 21 4.351 29.235 -14.866 191 HB2 ARG 21 HB2 ARG 21 4.918 26.772 -14.565 192 HB3 ARG 21 HB3 ARG 21 3.443 26.420 -15.455 193 HG2 ARG 21 HG2 ARG 21 4.346 26.982 -17.432 194 HG3 ARG 21 HG3 ARG 21 5.254 28.334 -16.752 195 HD2 ARG 21 HD2 ARG 21 7.049 27.017 -16.178 196 HD3 ARG 21 HD3 ARG 21 6.074 25.553 -16.066 197 HE ARG 21 HE ARG 21 7.415 26.550 -18.382 198 HH11 ARG 21 HH11 ARG 21 4.512 23.820 -18.760 199 HH12 ARG 21 HH12 ARG 21 4.661 24.723 -17.289 200 HH21 ARG 21 HH21 ARG 21 5.974 24.186 -20.485 201 HH22 ARG 21 HH22 ARG 21 7.229 25.367 -20.324 202 H TYR 22 H TYR 22 1.174 27.889 -14.415 203 HA TYR 22 HA TYR 22 0.168 28.428 -17.014 204 HB2 TYR 22 HB2 TYR 22 -0.916 26.829 -15.503 205 HB3 TYR 22 HB3 TYR 22 -1.310 28.134 -14.390 206 HD1 TYR 22 HD1 TYR 22 -2.972 29.864 -15.059 207 HD2 TYR 22 HD2 TYR 22 -2.254 26.400 -17.423 208 HE1 TYR 22 HE1 TYR 22 -5.095 30.239 -16.243 209 HE2 TYR 22 HE2 TYR 22 -4.375 26.766 -18.614 210 HH TYR 22 HH TYR 22 -6.724 29.003 -17.537 211 H GLN 23 H GLN 23 -0.154 30.164 -13.922 212 HA GLN 23 HA GLN 23 -1.516 32.381 -15.101 213 HB2 GLN 23 HB2 GLN 23 -1.203 31.459 -12.542 214 HB3 GLN 23 HB3 GLN 23 -0.141 32.861 -12.550 215 HG2 GLN 23 HG2 GLN 23 -2.129 34.130 -13.535 216 HG3 GLN 23 HG3 GLN 23 -3.095 32.747 -13.024 217 HE21 GLN 23 HE21 GLN 23 -0.548 34.838 -11.699 218 HE22 GLN 23 HE22 GLN 23 -1.296 35.058 -10.157 219 H LYS 24 H LYS 24 1.583 31.402 -15.420 220 HA LYS 24 HA LYS 24 2.907 33.956 -15.174 221 HB2 LYS 24 HB2 LYS 24 3.686 31.182 -15.627 222 HB3 LYS 24 HB3 LYS 24 4.579 32.304 -16.645 223 HG2 LYS 24 HG2 LYS 24 4.409 33.236 -13.910 224 HG3 LYS 24 HG3 LYS 24 5.145 31.636 -14.023 225 HD2 LYS 24 HD2 LYS 24 6.960 32.402 -15.160 226 HD3 LYS 24 HD3 LYS 24 6.046 33.672 -15.977 227 HE2 LYS 24 HE2 LYS 24 5.931 34.856 -13.756 228 HE3 LYS 24 HE3 LYS 24 7.083 33.667 -13.149 229 HZ1 LYS 24 HZ1 LYS 24 7.517 35.604 -15.356 230 HZ2 LYS 24 HZ2 LYS 24 8.601 34.369 -14.954 231 HZ3 LYS 24 HZ3 LYS 24 8.270 35.600 -13.841 232 H PHE 25 H PHE 25 1.530 31.983 -17.726 233 HA PHE 25 HA PHE 25 2.039 34.187 -19.612 234 HB2 PHE 25 HB2 PHE 25 2.563 31.292 -19.884 235 HB3 PHE 25 HB3 PHE 25 1.800 32.056 -21.275 236 HD1 PHE 25 HD1 PHE 25 4.847 31.209 -19.854 237 HD2 PHE 25 HD2 PHE 25 2.929 34.391 -21.931 238 HE1 PHE 25 HE1 PHE 25 7.041 32.049 -20.586 239 HE2 PHE 25 HE2 PHE 25 5.120 35.236 -22.666 240 HZ PHE 25 HZ PHE 25 7.179 34.065 -21.995 241 H ALA 26 H ALA 26 -0.244 32.471 -17.956 242 HA ALA 26 HA ALA 26 -2.311 33.056 -19.976 243 HB1 ALA 26 HB1 ALA 26 -2.968 31.068 -17.909 244 HB2 ALA 26 HB2 ALA 26 -3.328 31.077 -19.636 245 HB3 ALA 26 HB3 ALA 26 -1.734 30.579 -19.070 246 H LEU 27 H LEU 27 -3.350 34.844 -19.380 247 HA LEU 27 HA LEU 27 -4.185 35.094 -16.569 248 HB2 LEU 27 HB2 LEU 27 -3.324 37.352 -18.371 249 HB3 LEU 27 HB3 LEU 27 -3.883 37.503 -16.707 250 HG LEU 27 HG LEU 27 -1.557 37.738 -16.589 251 HD11 LEU 27 HD11 LEU 27 -1.172 36.252 -14.965 252 HD12 LEU 27 HD12 LEU 27 -1.411 34.873 -16.037 253 HD13 LEU 27 HD13 LEU 27 -2.802 35.673 -15.306 254 HD21 LEU 27 HD21 LEU 27 -0.768 35.240 -17.897 255 HD22 LEU 27 HD22 LEU 27 -0.067 36.855 -18.011 256 HD23 LEU 27 HD23 LEU 27 -1.480 36.435 -18.981 257 HA PRO 28 HA PRO 28 -7.709 35.432 -19.695 258 HB2 PRO 28 HB2 PRO 28 -9.075 33.236 -18.869 259 HB3 PRO 28 HB3 PRO 28 -7.834 33.179 -20.127 260 HG2 PRO 28 HG2 PRO 28 -7.623 32.478 -17.224 261 HG3 PRO 28 HG3 PRO 28 -6.969 31.622 -18.632 262 HD2 PRO 28 HD2 PRO 28 -5.452 33.235 -17.073 263 HD3 PRO 28 HD3 PRO 28 -5.163 33.042 -18.814 264 H GLN 29 H GLN 29 -7.612 34.544 -16.272 265 HA GLN 29 HA GLN 29 -9.953 36.279 -15.833 266 HB2 GLN 29 HB2 GLN 29 -9.269 33.601 -14.718 267 HB3 GLN 29 HB3 GLN 29 -10.102 34.743 -13.671 268 HG2 GLN 29 HG2 GLN 29 -12.037 34.288 -14.634 269 HG3 GLN 29 HG3 GLN 29 -11.385 34.682 -16.224 270 HE21 GLN 29 HE21 GLN 29 -13.223 32.539 -15.210 271 HE22 GLN 29 HE22 GLN 29 -12.542 31.067 -15.806 272 H TYR 30 H TYR 30 -6.699 35.581 -15.071 273 HA TYR 30 HA TYR 30 -6.449 36.642 -12.502 274 HB2 TYR 30 HB2 TYR 30 -4.602 35.454 -13.429 275 HB3 TYR 30 HB3 TYR 30 -4.515 36.534 -14.816 276 HD1 TYR 30 HD1 TYR 30 -3.407 38.669 -14.662 277 HD2 TYR 30 HD2 TYR 30 -3.766 36.170 -11.237 278 HE1 TYR 30 HE1 TYR 30 -1.747 40.051 -13.487 279 HE2 TYR 30 HE2 TYR 30 -2.108 37.546 -10.052 280 HH TYR 30 HH TYR 30 -0.269 40.008 -11.671 281 H LEU 31 H LEU 31 -5.944 38.271 -15.633 282 HA LEU 31 HA LEU 31 -5.793 40.857 -14.357 283 HB2 LEU 31 HB2 LEU 31 -4.915 41.587 -16.288 284 HB3 LEU 31 HB3 LEU 31 -4.714 39.867 -16.617 285 HG LEU 31 HG LEU 31 -6.939 41.640 -17.625 286 HD11 LEU 31 HD11 LEU 31 -4.848 42.046 -18.765 287 HD12 LEU 31 HD12 LEU 31 -5.942 41.157 -19.825 288 HD13 LEU 31 HD13 LEU 31 -4.617 40.316 -19.020 289 HD21 LEU 31 HD21 LEU 31 -8.131 39.798 -17.947 290 HD22 LEU 31 HD22 LEU 31 -6.848 38.812 -17.245 291 HD23 LEU 31 HD23 LEU 31 -6.845 39.163 -18.974 292 H LYS 32 H LYS 32 -8.301 38.900 -14.930 293 HA LYS 32 HA LYS 32 -10.129 41.006 -15.838 294 HB2 LYS 32 HB2 LYS 32 -10.110 38.680 -16.889 295 HB3 LYS 32 HB3 LYS 32 -10.814 38.105 -15.384 296 HG2 LYS 32 HG2 LYS 32 -12.839 38.977 -15.839 297 HG3 LYS 32 HG3 LYS 32 -12.166 40.405 -16.631 298 HD2 LYS 32 HD2 LYS 32 -11.649 37.943 -18.100 299 HD3 LYS 32 HD3 LYS 32 -13.371 38.267 -17.888 300 HE2 LYS 32 HE2 LYS 32 -11.801 40.616 -18.648 301 HE3 LYS 32 HE3 LYS 32 -11.784 39.327 -19.850 302 HZ1 LYS 32 HZ1 LYS 32 -13.844 39.829 -20.443 303 HZ2 LYS 32 HZ2 LYS 32 -13.774 41.188 -19.439 304 HZ3 LYS 32 HZ3 LYS 32 -14.406 39.733 -18.851 305 H THR 33 H THR 33 -9.489 38.831 -13.148 306 HA THR 33 HA THR 33 -11.745 39.893 -11.640 307 HB THR 33 HB THR 33 -11.292 37.476 -11.524 308 HG1 THR 33 HG1 THR 33 -11.760 37.409 -9.409 309 HG21 THR 33 HG21 THR 33 -9.307 36.555 -10.923 310 HG22 THR 33 HG22 THR 33 -8.928 37.850 -9.787 311 HG23 THR 33 HG23 THR 33 -8.673 38.090 -11.515 312 H VAL 34 H VAL 34 -8.229 39.971 -11.655 313 HA VAL 34 HA VAL 34 -7.939 41.315 -9.164 314 HB VAL 34 HB VAL 34 -6.057 41.095 -11.515 315 HG11 VAL 34 HG11 VAL 34 -4.317 41.758 -9.811 316 HG12 VAL 34 HG12 VAL 34 -5.400 43.047 -10.341 317 HG13 VAL 34 HG13 VAL 34 -5.649 42.273 -8.776 318 HG21 VAL 34 HG21 VAL 34 -5.956 39.697 -8.849 319 HG22 VAL 34 HG22 VAL 34 -6.687 38.997 -10.293 320 HG23 VAL 34 HG23 VAL 34 -4.965 39.378 -10.273 321 H TYR 35 H TYR 35 -8.660 42.344 -12.386 322 HA TYR 35 HA TYR 35 -7.903 45.088 -11.996 323 HB2 TYR 35 HB2 TYR 35 -8.397 43.542 -14.205 324 HB3 TYR 35 HB3 TYR 35 -9.858 44.520 -14.115 325 HD1 TYR 35 HD1 TYR 35 -6.287 44.511 -14.800 326 HD2 TYR 35 HD2 TYR 35 -9.717 46.977 -14.296 327 HE1 TYR 35 HE1 TYR 35 -5.090 46.381 -15.858 328 HE2 TYR 35 HE2 TYR 35 -8.530 48.854 -15.353 329 HH TYR 35 HH TYR 35 -6.274 49.592 -15.791 330 H GLN 36 H GLN 36 -10.682 43.159 -11.350 331 HA GLN 36 HA GLN 36 -12.365 45.526 -10.970 332 HB2 GLN 36 HB2 GLN 36 -13.002 43.193 -12.135 333 HB3 GLN 36 HB3 GLN 36 -13.443 42.806 -10.477 334 HG2 GLN 36 HG2 GLN 36 -15.413 43.699 -11.014 335 HG3 GLN 36 HG3 GLN 36 -14.596 45.243 -10.774 336 HE21 GLN 36 HE21 GLN 36 -13.866 46.397 -12.597 337 HE22 GLN 36 HE22 GLN 36 -14.541 46.117 -14.163 338 H HIS 37 H HIS 37 -10.928 42.826 -9.238 339 HA HIS 37 HA HIS 37 -12.190 43.477 -6.739 340 HB2 HIS 37 HB2 HIS 37 -10.121 41.507 -7.632 341 HB3 HIS 37 HB3 HIS 37 -10.299 41.844 -5.912 342 HD1 HIS 37 HD1 HIS 37 -12.148 40.661 -4.715 343 HD2 HIS 37 HD2 HIS 37 -12.540 40.442 -8.845 344 HE1 HIS 37 HE1 HIS 37 -14.050 39.068 -5.127 345 H GLN 38 H GLN 38 -8.738 43.383 -7.641 346 HA GLN 38 HA GLN 38 -7.812 44.873 -5.482 347 HB2 GLN 38 HB2 GLN 38 -6.694 43.675 -7.745 348 HB3 GLN 38 HB3 GLN 38 -6.252 45.372 -7.874 349 HG2 GLN 38 HG2 GLN 38 -5.870 44.041 -5.253 350 HG3 GLN 38 HG3 GLN 38 -4.769 43.620 -6.564 351 HE21 GLN 38 HE21 GLN 38 -3.579 45.347 -7.574 352 HE22 GLN 38 HE22 GLN 38 -3.174 46.756 -6.661 353 H LYS 39 H LYS 39 -6.648 47.052 -5.771 354 HA LYS 39 HA LYS 39 -8.089 48.901 -7.504 355 HB2 LYS 39 HB2 LYS 39 -8.194 48.914 -4.511 356 HB3 LYS 39 HB3 LYS 39 -8.256 50.438 -5.385 357 HG2 LYS 39 HG2 LYS 39 -10.105 48.832 -6.683 358 HG3 LYS 39 HG3 LYS 39 -10.318 48.458 -4.971 359 HD2 LYS 39 HD2 LYS 39 -10.205 51.273 -6.033 360 HD3 LYS 39 HD3 LYS 39 -11.711 50.366 -5.876 361 HE2 LYS 39 HE2 LYS 39 -11.177 50.045 -3.460 362 HE3 LYS 39 HE3 LYS 39 -9.797 51.121 -3.672 363 HZ1 LYS 39 HZ1 LYS 39 -12.026 52.411 -4.725 364 HZ2 LYS 39 HZ2 LYS 39 -11.151 52.821 -3.336 365 HZ3 LYS 39 HZ3 LYS 39 -12.489 51.793 -3.219 Start of MODEL 15 1 H1 LYS 1 H LYS 1 3.172 -0.527 4.666 2 HA LYS 1 HA LYS 1 4.378 1.006 3.233 3 HB2 LYS 1 HB2 LYS 1 4.626 -1.914 2.745 4 HB3 LYS 1 HB3 LYS 1 5.443 -0.845 1.612 5 HG2 LYS 1 HG2 LYS 1 6.197 0.226 3.992 6 HG3 LYS 1 HG3 LYS 1 6.082 -1.488 4.396 7 HD2 LYS 1 HD2 LYS 1 7.441 -1.846 2.223 8 HD3 LYS 1 HD3 LYS 1 7.837 -0.133 2.379 9 HE2 LYS 1 HE2 LYS 1 8.224 -2.080 4.636 10 HE3 LYS 1 HE3 LYS 1 9.460 -1.813 3.408 11 HZ1 LYS 1 HZ1 LYS 1 10.054 -0.330 5.043 12 HZ2 LYS 1 HZ2 LYS 1 8.457 0.043 5.459 13 HZ3 LYS 1 HZ3 LYS 1 9.124 0.657 4.030 14 H THR 2 H THR 2 4.262 2.234 1.455 15 HA THR 2 HA THR 2 2.745 1.248 -0.857 16 HB THR 2 HB THR 2 2.087 3.893 -0.893 17 HG1 THR 2 HG1 THR 2 2.064 3.027 1.824 18 HG21 THR 2 HG21 THR 2 0.532 1.658 0.415 19 HG22 THR 2 HG22 THR 2 0.567 2.027 -1.309 20 HG23 THR 2 HG23 THR 2 -0.148 3.173 -0.176 21 H LYS 3 H LYS 3 2.966 2.964 -2.709 22 HA LYS 3 HA LYS 3 5.793 3.794 -2.808 23 HB2 LYS 3 HB2 LYS 3 4.750 1.874 -4.351 24 HB3 LYS 3 HB3 LYS 3 4.303 3.266 -5.328 25 HG2 LYS 3 HG2 LYS 3 6.800 3.931 -5.047 26 HG3 LYS 3 HG3 LYS 3 7.014 2.225 -4.645 27 HD2 LYS 3 HD2 LYS 3 5.559 3.095 -7.125 28 HD3 LYS 3 HD3 LYS 3 7.315 2.921 -7.093 29 HE2 LYS 3 HE2 LYS 3 7.222 0.649 -6.909 30 HE3 LYS 3 HE3 LYS 3 5.689 0.673 -6.040 31 HZ1 LYS 3 HZ1 LYS 3 4.716 1.437 -8.256 32 HZ2 LYS 3 HZ2 LYS 3 5.158 -0.190 -8.114 33 HZ3 LYS 3 HZ3 LYS 3 6.160 0.889 -8.947 34 H LEU 4 H LEU 4 3.605 5.410 -1.860 35 HA LEU 4 HA LEU 4 3.194 7.345 -4.016 36 HB2 LEU 4 HB2 LEU 4 1.550 6.422 -2.003 37 HB3 LEU 4 HB3 LEU 4 2.058 8.006 -1.418 38 HG LEU 4 HG LEU 4 -0.081 8.094 -2.616 39 HD11 LEU 4 HD11 LEU 4 0.466 9.945 -4.092 40 HD12 LEU 4 HD12 LEU 4 2.164 9.469 -4.086 41 HD13 LEU 4 HD13 LEU 4 1.404 10.042 -2.601 42 HD21 LEU 4 HD21 LEU 4 1.257 6.376 -4.429 43 HD22 LEU 4 HD22 LEU 4 0.838 7.853 -5.297 44 HD23 LEU 4 HD23 LEU 4 -0.418 6.929 -4.472 45 H THR 5 H THR 5 5.808 6.996 -2.817 46 HA THR 5 HA THR 5 6.151 9.479 -1.293 47 HB THR 5 HB THR 5 8.646 8.319 -1.426 48 HG1 THR 5 HG1 THR 5 8.246 6.321 -2.045 49 HG21 THR 5 HG21 THR 5 6.799 7.477 0.756 50 HG22 THR 5 HG22 THR 5 7.089 9.200 0.517 51 HG23 THR 5 HG23 THR 5 8.439 8.117 0.851 52 H GLU 6 H GLU 6 8.234 7.799 -3.641 53 HA GLU 6 HA GLU 6 9.533 10.056 -4.583 54 HB2 GLU 6 HB2 GLU 6 10.033 8.674 -6.621 55 HB3 GLU 6 HB3 GLU 6 10.424 7.901 -5.091 56 HG2 GLU 6 HG2 GLU 6 8.217 6.715 -5.244 57 HG3 GLU 6 HG3 GLU 6 8.079 7.344 -6.884 58 H GLU 7 H GLU 7 6.667 8.440 -5.932 59 HA GLU 7 HA GLU 7 6.299 10.127 -8.131 60 HB2 GLU 7 HB2 GLU 7 5.052 7.900 -7.200 61 HB3 GLU 7 HB3 GLU 7 3.847 9.125 -6.828 62 HG2 GLU 7 HG2 GLU 7 4.279 9.856 -9.306 63 HG3 GLU 7 HG3 GLU 7 4.861 8.201 -9.466 64 H GLU 8 H GLU 8 5.695 10.631 -4.774 65 HA GLU 8 HA GLU 8 3.739 12.674 -5.003 66 HB2 GLU 8 HB2 GLU 8 4.374 11.304 -2.929 67 HB3 GLU 8 HB3 GLU 8 5.714 12.428 -2.744 68 HG2 GLU 8 HG2 GLU 8 4.062 14.287 -2.692 69 HG3 GLU 8 HG3 GLU 8 2.778 13.079 -2.693 70 H LYS 9 H LYS 9 7.207 12.902 -4.190 71 HA LYS 9 HA LYS 9 7.437 15.661 -4.313 72 HB2 LYS 9 HB2 LYS 9 9.704 15.344 -4.155 73 HB3 LYS 9 HB3 LYS 9 9.146 13.753 -3.654 74 HG2 LYS 9 HG2 LYS 9 9.488 12.938 -5.954 75 HG3 LYS 9 HG3 LYS 9 10.123 14.525 -6.396 76 HD2 LYS 9 HD2 LYS 9 12.088 13.476 -5.921 77 HD3 LYS 9 HD3 LYS 9 11.689 14.051 -4.301 78 HE2 LYS 9 HE2 LYS 9 10.878 11.338 -5.317 79 HE3 LYS 9 HE3 LYS 9 12.411 11.629 -4.497 80 HZ1 LYS 9 HZ1 LYS 9 9.688 11.676 -3.419 81 HZ2 LYS 9 HZ2 LYS 9 10.836 12.708 -2.728 82 HZ3 LYS 9 HZ3 LYS 9 11.102 11.037 -2.746 83 H ASN 10 H ASN 10 7.344 13.311 -6.892 84 HA ASN 10 HA ASN 10 8.349 14.969 -8.955 85 HB2 ASN 10 HB2 ASN 10 6.697 12.459 -8.904 86 HB3 ASN 10 HB3 ASN 10 6.995 13.302 -10.421 87 HD21 ASN 10 HD21 ASN 10 8.051 10.886 -8.501 88 HD22 ASN 10 HD22 ASN 10 9.699 10.795 -9.014 89 H ARG 11 H ARG 11 5.241 14.666 -7.439 90 HA ARG 11 HA ARG 11 3.849 16.112 -9.524 91 HB2 ARG 11 HB2 ARG 11 2.912 14.276 -7.915 92 HB3 ARG 11 HB3 ARG 11 2.719 15.616 -6.793 93 HG2 ARG 11 HG2 ARG 11 1.541 16.708 -8.908 94 HG3 ARG 11 HG3 ARG 11 1.265 15.009 -9.297 95 HD2 ARG 11 HD2 ARG 11 -0.600 15.941 -8.027 96 HD3 ARG 11 HD3 ARG 11 0.221 14.672 -7.118 97 HE ARG 11 HE ARG 11 1.413 16.965 -6.271 98 HH11 ARG 11 HH11 ARG 11 -2.407 16.777 -5.087 99 HH12 ARG 11 HH12 ARG 11 -1.882 15.857 -6.458 100 HH21 ARG 11 HH21 ARG 11 -0.918 18.099 -3.954 101 HH22 ARG 11 HH22 ARG 11 0.734 18.181 -4.464 102 H LEU 12 H LEU 12 5.039 16.723 -6.253 103 HA LEU 12 HA LEU 12 3.960 19.181 -5.711 104 HB2 LEU 12 HB2 LEU 12 6.843 18.510 -5.179 105 HB3 LEU 12 HB3 LEU 12 5.794 19.581 -4.252 106 HG LEU 12 HG LEU 12 5.679 16.572 -4.383 107 HD11 LEU 12 HD11 LEU 12 5.989 18.284 -1.945 108 HD12 LEU 12 HD12 LEU 12 7.383 17.828 -2.923 109 HD13 LEU 12 HD13 LEU 12 6.390 16.581 -2.170 110 HD21 LEU 12 HD21 LEU 12 3.914 17.234 -2.462 111 HD22 LEU 12 HD22 LEU 12 3.461 16.898 -4.134 112 HD23 LEU 12 HD23 LEU 12 3.657 18.565 -3.590 113 H ASN 13 H ASN 13 7.203 18.769 -7.145 114 HA ASN 13 HA ASN 13 7.621 21.406 -7.861 115 HB2 ASN 13 HB2 ASN 13 9.347 20.621 -9.325 116 HB3 ASN 13 HB3 ASN 13 9.305 19.533 -7.941 117 HD21 ASN 13 HD21 ASN 13 8.460 17.448 -8.199 118 HD22 ASN 13 HD22 ASN 13 8.322 16.717 -9.759 119 H PHE 14 H PHE 14 5.916 18.867 -9.612 120 HA PHE 14 HA PHE 14 5.598 20.157 -12.065 121 HB2 PHE 14 HB2 PHE 14 4.993 17.735 -11.353 122 HB3 PHE 14 HB3 PHE 14 3.442 18.426 -10.888 123 HD1 PHE 14 HD1 PHE 14 5.745 17.912 -13.731 124 HD2 PHE 14 HD2 PHE 14 1.799 18.919 -12.496 125 HE1 PHE 14 HE1 PHE 14 4.973 17.726 -16.060 126 HE2 PHE 14 HE2 PHE 14 1.020 18.734 -14.822 127 HZ PHE 14 HZ PHE 14 2.607 18.136 -16.608 128 H LEU 15 H LEU 15 2.995 19.803 -9.658 129 HA LEU 15 HA LEU 15 1.262 21.673 -10.654 130 HB2 LEU 15 HB2 LEU 15 1.780 20.545 -7.972 131 HB3 LEU 15 HB3 LEU 15 0.811 22.016 -8.030 132 HG LEU 15 HG LEU 15 -0.018 19.856 -9.862 133 HD11 LEU 15 HD11 LEU 15 -1.239 18.718 -7.991 134 HD12 LEU 15 HD12 LEU 15 -0.202 19.599 -6.869 135 HD13 LEU 15 HD13 LEU 15 0.506 18.459 -8.013 136 HD21 LEU 15 HD21 LEU 15 -1.444 21.676 -9.864 137 HD22 LEU 15 HD22 LEU 15 -1.286 21.936 -8.127 138 HD23 LEU 15 HD23 LEU 15 -2.239 20.581 -8.734 139 H LYS 16 H LYS 16 3.962 22.224 -8.429 140 HA LYS 16 HA LYS 16 3.531 24.915 -7.874 141 HB2 LYS 16 HB2 LYS 16 5.734 23.027 -7.656 142 HB3 LYS 16 HB3 LYS 16 6.298 24.654 -8.017 143 HG2 LYS 16 HG2 LYS 16 4.284 24.331 -5.863 144 HG3 LYS 16 HG3 LYS 16 5.939 23.810 -5.541 145 HD2 LYS 16 HD2 LYS 16 6.647 25.916 -5.338 146 HD3 LYS 16 HD3 LYS 16 5.866 26.394 -6.847 147 HE2 LYS 16 HE2 LYS 16 4.089 25.936 -4.531 148 HE3 LYS 16 HE3 LYS 16 5.149 27.341 -4.436 149 HZ1 LYS 16 HZ1 LYS 16 2.957 26.793 -6.305 150 HZ2 LYS 16 HZ2 LYS 16 4.249 27.746 -6.834 151 HZ3 LYS 16 HZ3 LYS 16 3.342 28.224 -5.489 152 H LYS 17 H LYS 17 5.551 23.491 -10.441 153 HA LYS 17 HA LYS 17 6.083 26.030 -11.653 154 HB2 LYS 17 HB2 LYS 17 7.168 23.468 -11.822 155 HB3 LYS 17 HB3 LYS 17 6.459 23.744 -13.408 156 HG2 LYS 17 HG2 LYS 17 8.710 24.459 -13.518 157 HG3 LYS 17 HG3 LYS 17 7.712 25.915 -13.485 158 HD2 LYS 17 HD2 LYS 17 9.494 26.330 -11.996 159 HD3 LYS 17 HD3 LYS 17 8.104 25.950 -10.976 160 HE2 LYS 17 HE2 LYS 17 9.708 23.623 -11.749 161 HE3 LYS 17 HE3 LYS 17 10.575 24.804 -10.767 162 HZ1 LYS 17 HZ1 LYS 17 9.091 24.553 -9.017 163 HZ2 LYS 17 HZ2 LYS 17 9.289 22.969 -9.578 164 HZ3 LYS 17 HZ3 LYS 17 7.897 23.842 -9.981 165 H ILE 18 H ILE 18 3.380 24.104 -11.596 166 HA ILE 18 HA ILE 18 2.526 24.667 -14.320 167 HB ILE 18 HB ILE 18 1.311 23.112 -12.055 168 HG12 ILE 18 HG12 ILE 18 3.062 22.146 -13.633 169 HG13 ILE 18 HG13 ILE 18 1.558 21.241 -13.493 170 HG21 ILE 18 HG21 ILE 18 -0.592 24.185 -12.899 171 HG22 ILE 18 HG22 ILE 18 -0.019 24.082 -14.563 172 HG23 ILE 18 HG23 ILE 18 -0.559 22.627 -13.725 173 HD11 ILE 18 HD11 ILE 18 2.137 23.191 -15.706 174 HD12 ILE 18 HD12 ILE 18 2.437 21.455 -15.808 175 HD13 ILE 18 HD13 ILE 18 0.793 22.055 -15.595 176 H SER 19 H SER 19 2.048 25.849 -11.086 177 HA SER 19 HA SER 19 -0.306 27.379 -11.703 178 HB2 SER 19 HB2 SER 19 1.146 26.655 -9.348 179 HB3 SER 19 HB3 SER 19 0.974 28.410 -9.382 180 HG SER 19 HG SER 19 -0.797 27.046 -8.429 181 H GLN 20 H GLN 20 3.141 27.911 -11.703 182 HA GLN 20 HA GLN 20 2.855 30.781 -12.041 183 HB2 GLN 20 HB2 GLN 20 5.435 30.511 -12.412 184 HB3 GLN 20 HB3 GLN 20 4.752 30.361 -10.798 185 HG2 GLN 20 HG2 GLN 20 5.227 28.163 -10.649 186 HG3 GLN 20 HG3 GLN 20 4.940 27.872 -12.363 187 HE21 GLN 20 HE21 GLN 20 7.255 28.430 -9.942 188 HE22 GLN 20 HE22 GLN 20 8.654 28.469 -10.955 189 H ARG 21 H ARG 21 3.971 27.996 -13.938 190 HA ARG 21 HA ARG 21 4.610 29.429 -16.275 191 HB2 ARG 21 HB2 ARG 21 5.322 27.086 -15.758 192 HB3 ARG 21 HB3 ARG 21 3.679 26.560 -16.098 193 HG2 ARG 21 HG2 ARG 21 4.091 26.480 -18.271 194 HG3 ARG 21 HG3 ARG 21 4.683 28.142 -18.272 195 HD2 ARG 21 HD2 ARG 21 6.885 27.382 -17.583 196 HD3 ARG 21 HD3 ARG 21 6.302 25.720 -17.492 197 HE ARG 21 HE ARG 21 5.772 26.425 -20.050 198 HH11 ARG 21 HH11 ARG 21 9.722 26.354 -19.401 199 HH12 ARG 21 HH12 ARG 21 8.632 26.562 -18.070 200 HH21 ARG 21 HH21 ARG 21 8.904 26.120 -21.529 201 HH22 ARG 21 HH22 ARG 21 7.196 26.150 -21.811 202 H TYR 22 H TYR 22 1.613 27.972 -15.136 203 HA TYR 22 HA TYR 22 0.163 28.322 -17.552 204 HB2 TYR 22 HB2 TYR 22 -0.507 26.723 -15.788 205 HB3 TYR 22 HB3 TYR 22 -0.884 28.073 -14.724 206 HD1 TYR 22 HD1 TYR 22 -3.016 29.026 -14.746 207 HD2 TYR 22 HD2 TYR 22 -1.803 26.574 -18.004 208 HE1 TYR 22 HE1 TYR 22 -5.302 29.106 -15.649 209 HE2 TYR 22 HE2 TYR 22 -4.085 26.648 -18.917 210 HH TYR 22 HH TYR 22 -6.149 28.563 -18.561 211 H GLN 23 H GLN 23 0.154 30.145 -14.490 212 HA GLN 23 HA GLN 23 -1.524 32.213 -15.512 213 HB2 GLN 23 HB2 GLN 23 -0.921 31.435 -13.024 214 HB3 GLN 23 HB3 GLN 23 0.244 32.744 -13.183 215 HG2 GLN 23 HG2 GLN 23 -1.824 34.102 -14.005 216 HG3 GLN 23 HG3 GLN 23 -2.733 32.848 -13.163 217 HE21 GLN 23 HE21 GLN 23 -0.227 35.286 -12.767 218 HE22 GLN 23 HE22 GLN 23 -0.491 35.548 -11.080 219 H LYS 24 H LYS 24 1.570 31.452 -16.256 220 HA LYS 24 HA LYS 24 2.721 34.092 -16.286 221 HB2 LYS 24 HB2 LYS 24 3.608 31.365 -16.828 222 HB3 LYS 24 HB3 LYS 24 4.248 32.524 -17.985 223 HG2 LYS 24 HG2 LYS 24 4.450 33.502 -15.270 224 HG3 LYS 24 HG3 LYS 24 5.264 31.949 -15.477 225 HD2 LYS 24 HD2 LYS 24 6.542 32.840 -17.340 226 HD3 LYS 24 HD3 LYS 24 5.685 34.378 -17.219 227 HE2 LYS 24 HE2 LYS 24 6.976 35.085 -15.534 228 HE3 LYS 24 HE3 LYS 24 6.892 33.532 -14.703 229 HZ1 LYS 24 HZ1 LYS 24 8.486 32.882 -16.701 230 HZ2 LYS 24 HZ2 LYS 24 9.070 33.516 -15.246 231 HZ3 LYS 24 HZ3 LYS 24 8.878 34.525 -16.590 232 H PHE 25 H PHE 25 1.088 31.972 -18.551 233 HA PHE 25 HA PHE 25 1.114 34.163 -20.518 234 HB2 PHE 25 HB2 PHE 25 1.993 31.401 -20.823 235 HB3 PHE 25 HB3 PHE 25 0.768 31.846 -22.008 236 HD1 PHE 25 HD1 PHE 25 1.186 34.220 -23.131 237 HD2 PHE 25 HD2 PHE 25 4.187 31.772 -21.364 238 HE1 PHE 25 HE1 PHE 25 2.902 35.356 -24.479 239 HE2 PHE 25 HE2 PHE 25 5.907 32.906 -22.708 240 HZ PHE 25 HZ PHE 25 5.266 34.701 -24.267 241 H ALA 26 H ALA 26 -0.722 32.297 -18.507 242 HA ALA 26 HA ALA 26 -3.120 32.630 -20.191 243 HB1 ALA 26 HB1 ALA 26 -3.972 30.629 -19.510 244 HB2 ALA 26 HB2 ALA 26 -2.251 30.251 -19.423 245 HB3 ALA 26 HB3 ALA 26 -3.136 30.673 -17.957 246 H LEU 27 H LEU 27 -4.201 34.361 -19.508 247 HA LEU 27 HA LEU 27 -4.641 34.669 -16.615 248 HB2 LEU 27 HB2 LEU 27 -4.205 36.913 -18.580 249 HB3 LEU 27 HB3 LEU 27 -4.529 37.084 -16.856 250 HG LEU 27 HG LEU 27 -2.229 37.482 -17.106 251 HD11 LEU 27 HD11 LEU 27 -3.139 35.398 -15.576 252 HD12 LEU 27 HD12 LEU 27 -1.537 36.128 -15.474 253 HD13 LEU 27 HD13 LEU 27 -1.785 34.678 -16.447 254 HD21 LEU 27 HD21 LEU 27 -1.531 34.946 -18.428 255 HD22 LEU 27 HD22 LEU 27 -0.867 36.566 -18.649 256 HD23 LEU 27 HD23 LEU 27 -2.385 36.120 -19.431 257 HA PRO 28 HA PRO 28 -8.577 34.660 -19.229 258 HB2 PRO 28 HB2 PRO 28 -9.653 32.402 -18.175 259 HB3 PRO 28 HB3 PRO 28 -8.596 32.392 -19.592 260 HG2 PRO 28 HG2 PRO 28 -7.938 31.797 -16.732 261 HG3 PRO 28 HG3 PRO 28 -7.423 30.945 -18.199 262 HD2 PRO 28 HD2 PRO 28 -5.827 32.706 -16.902 263 HD3 PRO 28 HD3 PRO 28 -5.767 32.480 -18.662 264 H GLN 29 H GLN 29 -7.943 33.893 -15.835 265 HA GLN 29 HA GLN 29 -10.331 35.459 -15.111 266 HB2 GLN 29 HB2 GLN 29 -9.278 32.887 -14.044 267 HB3 GLN 29 HB3 GLN 29 -10.024 34.000 -12.905 268 HG2 GLN 29 HG2 GLN 29 -12.069 33.489 -13.599 269 HG3 GLN 29 HG3 GLN 29 -11.621 33.663 -15.296 270 HE21 GLN 29 HE21 GLN 29 -12.575 31.534 -12.924 271 HE22 GLN 29 HE22 GLN 29 -12.171 30.052 -13.714 272 H TYR 30 H TYR 30 -6.958 35.093 -14.844 273 HA TYR 30 HA TYR 30 -6.410 36.239 -12.361 274 HB2 TYR 30 HB2 TYR 30 -4.709 35.159 -13.785 275 HB3 TYR 30 HB3 TYR 30 -4.810 36.504 -14.916 276 HD1 TYR 30 HD1 TYR 30 -4.357 36.069 -11.224 277 HD2 TYR 30 HD2 TYR 30 -3.079 38.009 -14.788 278 HE1 TYR 30 HE1 TYR 30 -2.629 37.265 -9.946 279 HE2 TYR 30 HE2 TYR 30 -1.347 39.211 -13.520 280 HH TYR 30 HH TYR 30 -0.634 39.755 -11.438 281 H LEU 31 H LEU 31 -6.507 37.852 -15.542 282 HA LEU 31 HA LEU 31 -6.520 40.457 -14.278 283 HB2 LEU 31 HB2 LEU 31 -6.756 41.212 -16.711 284 HB3 LEU 31 HB3 LEU 31 -5.250 40.438 -16.221 285 HG LEU 31 HG LEU 31 -5.975 38.353 -17.272 286 HD11 LEU 31 HD11 LEU 31 -8.455 39.937 -17.865 287 HD12 LEU 31 HD12 LEU 31 -8.313 38.368 -17.073 288 HD13 LEU 31 HD13 LEU 31 -7.998 38.515 -18.802 289 HD21 LEU 31 HD21 LEU 31 -4.682 39.602 -18.727 290 HD22 LEU 31 HD22 LEU 31 -5.892 40.877 -18.874 291 HD23 LEU 31 HD23 LEU 31 -6.146 39.324 -19.671 292 H LYS 32 H LYS 32 -8.820 38.250 -14.539 293 HA LYS 32 HA LYS 32 -10.948 40.099 -15.360 294 HB2 LYS 32 HB2 LYS 32 -10.721 37.725 -16.327 295 HB3 LYS 32 HB3 LYS 32 -11.303 37.170 -14.763 296 HG2 LYS 32 HG2 LYS 32 -13.382 38.288 -15.049 297 HG3 LYS 32 HG3 LYS 32 -12.795 39.134 -16.483 298 HD2 LYS 32 HD2 LYS 32 -12.470 36.312 -16.840 299 HD3 LYS 32 HD3 LYS 32 -14.132 36.655 -16.354 300 HE2 LYS 32 HE2 LYS 32 -14.392 38.217 -18.165 301 HE3 LYS 32 HE3 LYS 32 -12.688 38.068 -18.593 302 HZ1 LYS 32 HZ1 LYS 32 -13.115 36.277 -19.806 303 HZ2 LYS 32 HZ2 LYS 32 -14.764 36.598 -19.614 304 HZ3 LYS 32 HZ3 LYS 32 -13.982 35.532 -18.559 305 H THR 33 H THR 33 -9.800 38.145 -12.679 306 HA THR 33 HA THR 33 -12.027 39.034 -11.003 307 HB THR 33 HB THR 33 -11.345 36.637 -10.947 308 HG1 THR 33 HG1 THR 33 -11.770 36.542 -8.823 309 HG21 THR 33 HG21 THR 33 -8.805 37.474 -11.008 310 HG22 THR 33 HG22 THR 33 -9.276 35.917 -10.326 311 HG23 THR 33 HG23 THR 33 -8.996 37.296 -9.264 312 H VAL 34 H VAL 34 -8.546 39.356 -11.346 313 HA VAL 34 HA VAL 34 -8.131 40.750 -8.895 314 HB VAL 34 HB VAL 34 -6.433 40.619 -11.390 315 HG11 VAL 34 HG11 VAL 34 -5.842 42.616 -10.218 316 HG12 VAL 34 HG12 VAL 34 -5.837 41.770 -8.669 317 HG13 VAL 34 HG13 VAL 34 -4.605 41.406 -9.879 318 HG21 VAL 34 HG21 VAL 34 -5.806 39.282 -8.793 319 HG22 VAL 34 HG22 VAL 34 -6.948 38.535 -9.910 320 HG23 VAL 34 HG23 VAL 34 -5.293 38.857 -10.427 321 H TYR 35 H TYR 35 -8.978 41.693 -12.151 322 HA TYR 35 HA TYR 35 -8.423 44.471 -11.833 323 HB2 TYR 35 HB2 TYR 35 -8.843 42.959 -13.993 324 HB3 TYR 35 HB3 TYR 35 -10.482 43.564 -13.784 325 HD1 TYR 35 HD1 TYR 35 -11.065 45.691 -14.564 326 HD2 TYR 35 HD2 TYR 35 -6.953 44.685 -14.139 327 HE1 TYR 35 HE1 TYR 35 -10.443 47.783 -15.696 328 HE2 TYR 35 HE2 TYR 35 -6.319 46.775 -15.269 329 HH TYR 35 HH TYR 35 -8.785 49.055 -16.434 330 H GLN 36 H GLN 36 -11.042 42.414 -10.948 331 HA GLN 36 HA GLN 36 -12.829 44.690 -10.502 332 HB2 GLN 36 HB2 GLN 36 -13.400 42.267 -11.515 333 HB3 GLN 36 HB3 GLN 36 -13.689 41.936 -9.812 334 HG2 GLN 36 HG2 GLN 36 -15.766 42.609 -10.427 335 HG3 GLN 36 HG3 GLN 36 -15.080 44.166 -9.966 336 HE21 GLN 36 HE21 GLN 36 -16.458 45.315 -11.297 337 HE22 GLN 36 HE22 GLN 36 -16.306 45.311 -13.018 338 H HIS 37 H HIS 37 -11.183 42.086 -8.778 339 HA HIS 37 HA HIS 37 -12.246 42.811 -6.218 340 HB2 HIS 37 HB2 HIS 37 -10.157 40.897 -7.188 341 HB3 HIS 37 HB3 HIS 37 -10.238 41.291 -5.473 342 HD1 HIS 37 HD1 HIS 37 -11.938 40.064 -4.114 343 HD2 HIS 37 HD2 HIS 37 -12.608 39.692 -8.197 344 HE1 HIS 37 HE1 HIS 37 -13.789 38.377 -4.340 345 H GLN 38 H GLN 38 -8.878 42.830 -7.400 346 HA GLN 38 HA GLN 38 -7.848 44.441 -5.378 347 HB2 GLN 38 HB2 GLN 38 -6.863 43.200 -7.678 348 HB3 GLN 38 HB3 GLN 38 -6.513 44.908 -7.909 349 HG2 GLN 38 HG2 GLN 38 -5.854 43.691 -5.285 350 HG3 GLN 38 HG3 GLN 38 -4.839 43.293 -6.670 351 HE21 GLN 38 HE21 GLN 38 -3.855 45.065 -7.829 352 HE22 GLN 38 HE22 GLN 38 -3.452 46.516 -6.983 353 H LYS 39 H LYS 39 -7.757 46.583 -5.013 354 HA LYS 39 HA LYS 39 -9.527 48.306 -6.437 355 HB2 LYS 39 HB2 LYS 39 -8.749 50.043 -4.899 356 HB3 LYS 39 HB3 LYS 39 -9.136 48.562 -4.032 357 HG2 LYS 39 HG2 LYS 39 -6.975 48.171 -3.446 358 HG3 LYS 39 HG3 LYS 39 -6.325 48.956 -4.887 359 HD2 LYS 39 HD2 LYS 39 -7.156 51.141 -3.876 360 HD3 LYS 39 HD3 LYS 39 -7.382 50.236 -2.378 361 HE2 LYS 39 HE2 LYS 39 -4.830 49.546 -3.190 362 HE3 LYS 39 HE3 LYS 39 -4.947 51.258 -3.592 363 HZ1 LYS 39 HZ1 LYS 39 -5.988 51.268 -1.154 364 HZ2 LYS 39 HZ2 LYS 39 -4.336 51.479 -1.450 365 HZ3 LYS 39 HZ3 LYS 39 -4.926 49.961 -0.991 Start of MODEL 16 1 H1 LYS 1 H LYS 1 9.426 -2.866 0.940 2 HA LYS 1 HA LYS 1 8.674 -0.359 1.618 3 HB2 LYS 1 HB2 LYS 1 10.889 -1.436 0.440 4 HB3 LYS 1 HB3 LYS 1 10.286 -0.398 -0.846 5 HG2 LYS 1 HG2 LYS 1 10.810 1.494 0.252 6 HG3 LYS 1 HG3 LYS 1 10.394 0.822 1.831 7 HD2 LYS 1 HD2 LYS 1 12.564 -0.652 1.287 8 HD3 LYS 1 HD3 LYS 1 12.968 0.799 0.368 9 HE2 LYS 1 HE2 LYS 1 11.977 1.111 3.157 10 HE3 LYS 1 HE3 LYS 1 13.628 0.542 2.913 11 HZ1 LYS 1 HZ1 LYS 1 14.012 2.755 2.900 12 HZ2 LYS 1 HZ2 LYS 1 12.462 3.154 2.353 13 HZ3 LYS 1 HZ3 LYS 1 13.625 2.593 1.261 14 H THR 2 H THR 2 7.001 0.847 1.042 15 HA THR 2 HA THR 2 5.358 0.414 -1.165 16 HB THR 2 HB THR 2 4.508 2.751 -0.741 17 HG1 THR 2 HG1 THR 2 5.370 3.767 1.156 18 HG21 THR 2 HG21 THR 2 3.334 1.091 0.401 19 HG22 THR 2 HG22 THR 2 3.829 2.187 1.691 20 HG23 THR 2 HG23 THR 2 4.712 0.684 1.423 21 H LYS 3 H LYS 3 4.876 2.268 -2.792 22 HA LYS 3 HA LYS 3 7.376 3.373 -3.864 23 HB2 LYS 3 HB2 LYS 3 6.588 1.174 -4.982 24 HB3 LYS 3 HB3 LYS 3 5.316 2.161 -5.687 25 HG2 LYS 3 HG2 LYS 3 7.723 3.543 -6.124 26 HG3 LYS 3 HG3 LYS 3 8.033 1.849 -6.515 27 HD2 LYS 3 HD2 LYS 3 6.018 1.858 -7.956 28 HD3 LYS 3 HD3 LYS 3 5.822 3.581 -7.622 29 HE2 LYS 3 HE2 LYS 3 7.203 4.036 -9.299 30 HE3 LYS 3 HE3 LYS 3 8.495 3.200 -8.439 31 HZ1 LYS 3 HZ1 LYS 3 6.672 2.133 -10.504 32 HZ2 LYS 3 HZ2 LYS 3 7.497 1.101 -9.448 33 HZ3 LYS 3 HZ3 LYS 3 8.363 2.123 -10.480 34 H LEU 4 H LEU 4 5.215 4.607 -2.384 35 HA LEU 4 HA LEU 4 3.884 6.244 -4.416 36 HB2 LEU 4 HB2 LEU 4 3.055 5.184 -1.965 37 HB3 LEU 4 HB3 LEU 4 3.213 6.918 -1.696 38 HG LEU 4 HG LEU 4 1.747 7.182 -3.784 39 HD11 LEU 4 HD11 LEU 4 0.555 5.407 -4.606 40 HD12 LEU 4 HD12 LEU 4 0.724 4.463 -3.127 41 HD13 LEU 4 HD13 LEU 4 2.089 4.623 -4.231 42 HD21 LEU 4 HD21 LEU 4 1.159 7.339 -1.234 43 HD22 LEU 4 HD22 LEU 4 0.245 5.868 -1.569 44 HD23 LEU 4 HD23 LEU 4 -0.116 7.351 -2.453 45 H THR 5 H THR 5 6.128 6.441 -1.721 46 HA THR 5 HA THR 5 6.312 9.166 -1.345 47 HB THR 5 HB THR 5 8.813 8.667 -0.865 48 HG1 THR 5 HG1 THR 5 8.886 6.709 -2.078 49 HG21 THR 5 HG21 THR 5 6.506 7.392 0.591 50 HG22 THR 5 HG22 THR 5 7.320 8.913 0.956 51 HG23 THR 5 HG23 THR 5 8.152 7.381 1.223 52 H GLU 6 H GLU 6 7.519 7.231 -3.984 53 HA GLU 6 HA GLU 6 9.210 9.306 -5.046 54 HB2 GLU 6 HB2 GLU 6 8.871 6.532 -5.472 55 HB3 GLU 6 HB3 GLU 6 8.528 7.321 -7.005 56 HG2 GLU 6 HG2 GLU 6 10.716 8.572 -6.669 57 HG3 GLU 6 HG3 GLU 6 11.052 7.405 -5.391 58 H GLU 7 H GLU 7 6.339 7.658 -6.383 59 HA GLU 7 HA GLU 7 5.828 9.415 -8.452 60 HB2 GLU 7 HB2 GLU 7 4.637 7.157 -7.534 61 HB3 GLU 7 HB3 GLU 7 3.436 8.358 -7.080 62 HG2 GLU 7 HG2 GLU 7 3.751 9.163 -9.550 63 HG3 GLU 7 HG3 GLU 7 4.354 7.523 -9.783 64 H GLU 8 H GLU 8 5.227 9.791 -5.057 65 HA GLU 8 HA GLU 8 3.282 11.833 -5.183 66 HB2 GLU 8 HB2 GLU 8 3.923 10.459 -3.155 67 HB3 GLU 8 HB3 GLU 8 5.343 11.484 -3.007 68 HG2 GLU 8 HG2 GLU 8 3.513 12.169 -1.523 69 HG3 GLU 8 HG3 GLU 8 3.968 13.428 -2.671 70 H LYS 9 H LYS 9 6.776 12.086 -4.497 71 HA LYS 9 HA LYS 9 6.959 14.855 -4.564 72 HB2 LYS 9 HB2 LYS 9 9.222 14.562 -4.440 73 HB3 LYS 9 HB3 LYS 9 8.713 12.934 -4.013 74 HG2 LYS 9 HG2 LYS 9 9.019 12.260 -6.370 75 HG3 LYS 9 HG3 LYS 9 9.631 13.878 -6.721 76 HD2 LYS 9 HD2 LYS 9 11.481 12.351 -6.380 77 HD3 LYS 9 HD3 LYS 9 11.427 13.530 -5.068 78 HE2 LYS 9 HE2 LYS 9 9.828 11.263 -4.374 79 HE3 LYS 9 HE3 LYS 9 11.423 10.714 -4.887 80 HZ1 LYS 9 HZ1 LYS 9 11.007 11.374 -2.429 81 HZ2 LYS 9 HZ2 LYS 9 11.211 12.954 -2.997 82 HZ3 LYS 9 HZ3 LYS 9 12.454 11.822 -3.183 83 H ASN 10 H ASN 10 6.826 12.550 -7.181 84 HA ASN 10 HA ASN 10 7.744 14.265 -9.240 85 HB2 ASN 10 HB2 ASN 10 6.113 11.734 -9.217 86 HB3 ASN 10 HB3 ASN 10 6.434 12.601 -10.716 87 HD21 ASN 10 HD21 ASN 10 7.548 10.293 -8.579 88 HD22 ASN 10 HD22 ASN 10 9.168 10.154 -9.162 89 H ARG 11 H ARG 11 4.753 13.993 -7.559 90 HA ARG 11 HA ARG 11 3.254 15.414 -9.608 91 HB2 ARG 11 HB2 ARG 11 2.391 13.512 -8.031 92 HB3 ARG 11 HB3 ARG 11 2.195 14.818 -6.870 93 HG2 ARG 11 HG2 ARG 11 1.071 15.310 -9.546 94 HG3 ARG 11 HG3 ARG 11 0.289 14.044 -8.597 95 HD2 ARG 11 HD2 ARG 11 0.776 16.887 -7.714 96 HD3 ARG 11 HD3 ARG 11 -0.771 16.209 -8.221 97 HE ARG 11 HE ARG 11 0.527 15.865 -5.672 98 HH11 ARG 11 HH11 ARG 11 -2.707 13.737 -6.690 99 HH12 ARG 11 HH12 ARG 11 -1.821 14.597 -7.907 100 HH21 ARG 11 HH21 ARG 11 -2.029 13.820 -4.504 101 HH22 ARG 11 HH22 ARG 11 -0.631 14.739 -4.061 102 H LEU 12 H LEU 12 4.513 15.946 -6.349 103 HA LEU 12 HA LEU 12 3.402 18.367 -5.707 104 HB2 LEU 12 HB2 LEU 12 6.308 17.740 -5.256 105 HB3 LEU 12 HB3 LEU 12 5.251 18.749 -4.269 106 HG LEU 12 HG LEU 12 5.193 15.744 -4.517 107 HD11 LEU 12 HD11 LEU 12 5.834 17.604 -2.233 108 HD12 LEU 12 HD12 LEU 12 6.957 16.544 -3.084 109 HD13 LEU 12 HD13 LEU 12 5.670 15.853 -2.097 110 HD21 LEU 12 HD21 LEU 12 2.952 16.172 -4.276 111 HD22 LEU 12 HD22 LEU 12 3.220 17.685 -3.410 112 HD23 LEU 12 HD23 LEU 12 3.460 16.143 -2.588 113 H ASN 13 H ASN 13 6.571 17.998 -7.313 114 HA ASN 13 HA ASN 13 7.024 20.652 -7.909 115 HB2 ASN 13 HB2 ASN 13 8.581 19.897 -9.588 116 HB3 ASN 13 HB3 ASN 13 8.649 18.778 -8.229 117 HD21 ASN 13 HD21 ASN 13 7.842 16.701 -8.464 118 HD22 ASN 13 HD22 ASN 13 7.504 16.015 -10.013 119 H PHE 14 H PHE 14 5.133 18.278 -9.709 120 HA PHE 14 HA PHE 14 4.673 19.726 -12.038 121 HB2 PHE 14 HB2 PHE 14 4.023 17.298 -11.450 122 HB3 PHE 14 HB3 PHE 14 2.556 18.001 -10.776 123 HD1 PHE 14 HD1 PHE 14 4.536 17.645 -13.877 124 HD2 PHE 14 HD2 PHE 14 0.773 18.647 -12.161 125 HE1 PHE 14 HE1 PHE 14 3.522 17.658 -16.118 126 HE2 PHE 14 HE2 PHE 14 -0.248 18.661 -14.399 127 HZ PHE 14 HZ PHE 14 1.126 18.165 -16.381 128 H LEU 15 H LEU 15 2.223 19.331 -9.484 129 HA LEU 15 HA LEU 15 0.544 21.367 -10.255 130 HB2 LEU 15 HB2 LEU 15 1.114 20.013 -7.678 131 HB3 LEU 15 HB3 LEU 15 0.157 21.492 -7.625 132 HG LEU 15 HG LEU 15 -1.179 19.387 -7.663 133 HD11 LEU 15 HD11 LEU 15 -1.632 21.790 -8.921 134 HD12 LEU 15 HD12 LEU 15 -2.833 20.535 -8.617 135 HD13 LEU 15 HD13 LEU 15 -2.004 20.604 -10.172 136 HD21 LEU 15 HD21 LEU 15 0.491 18.344 -9.359 137 HD22 LEU 15 HD22 LEU 15 -0.511 19.148 -10.567 138 HD23 LEU 15 HD23 LEU 15 -1.226 17.958 -9.478 139 H LYS 16 H LYS 16 3.441 21.559 -8.259 140 HA LYS 16 HA LYS 16 3.186 24.179 -7.340 141 HB2 LYS 16 HB2 LYS 16 5.464 22.318 -7.797 142 HB3 LYS 16 HB3 LYS 16 5.841 24.017 -7.545 143 HG2 LYS 16 HG2 LYS 16 4.207 22.323 -5.667 144 HG3 LYS 16 HG3 LYS 16 5.925 22.681 -5.476 145 HD2 LYS 16 HD2 LYS 16 5.204 25.151 -5.600 146 HD3 LYS 16 HD3 LYS 16 3.577 24.541 -5.286 147 HE2 LYS 16 HE2 LYS 16 4.341 23.508 -3.224 148 HE3 LYS 16 HE3 LYS 16 5.992 24.032 -3.551 149 HZ1 LYS 16 HZ1 LYS 16 3.662 25.643 -2.750 150 HZ2 LYS 16 HZ2 LYS 16 4.926 26.367 -3.609 151 HZ3 LYS 16 HZ3 LYS 16 5.229 25.639 -2.112 152 H LYS 17 H LYS 17 4.848 22.986 -10.255 153 HA LYS 17 HA LYS 17 5.405 25.629 -11.212 154 HB2 LYS 17 HB2 LYS 17 6.232 22.998 -11.840 155 HB3 LYS 17 HB3 LYS 17 5.516 23.663 -13.302 156 HG2 LYS 17 HG2 LYS 17 7.334 24.857 -13.696 157 HG3 LYS 17 HG3 LYS 17 7.218 25.624 -12.110 158 HD2 LYS 17 HD2 LYS 17 8.242 22.854 -12.145 159 HD3 LYS 17 HD3 LYS 17 9.286 24.077 -12.872 160 HE2 LYS 17 HE2 LYS 17 9.846 24.902 -10.878 161 HE3 LYS 17 HE3 LYS 17 8.163 24.980 -10.361 162 HZ1 LYS 17 HZ1 LYS 17 9.592 23.502 -8.995 163 HZ2 LYS 17 HZ2 LYS 17 9.778 22.491 -10.339 164 HZ3 LYS 17 HZ3 LYS 17 8.246 22.723 -9.661 165 H ILE 18 H ILE 18 2.723 23.520 -11.361 166 HA ILE 18 HA ILE 18 1.609 24.481 -13.814 167 HB ILE 18 HB ILE 18 0.476 22.885 -11.530 168 HG12 ILE 18 HG12 ILE 18 2.050 21.877 -13.253 169 HG13 ILE 18 HG13 ILE 18 0.497 21.070 -13.063 170 HG21 ILE 18 HG21 ILE 18 -1.469 23.935 -12.122 171 HG22 ILE 18 HG22 ILE 18 -0.945 24.209 -13.782 172 HG23 ILE 18 HG23 ILE 18 -1.473 22.603 -13.278 173 HD11 ILE 18 HD11 ILE 18 1.616 21.823 -15.430 174 HD12 ILE 18 HD12 ILE 18 -0.095 21.484 -15.170 175 HD13 ILE 18 HD13 ILE 18 0.494 23.145 -15.110 176 H SER 19 H SER 19 0.895 25.079 -10.379 177 HA SER 19 HA SER 19 -1.127 26.998 -10.855 178 HB2 SER 19 HB2 SER 19 0.536 26.248 -8.471 179 HB3 SER 19 HB3 SER 19 -0.501 27.673 -8.410 180 HG SER 19 HG SER 19 -1.172 25.076 -8.194 181 H GLN 20 H GLN 20 2.283 27.150 -11.018 182 HA GLN 20 HA GLN 20 2.351 30.051 -10.713 183 HB2 GLN 20 HB2 GLN 20 4.382 27.880 -10.781 184 HB3 GLN 20 HB3 GLN 20 4.881 29.469 -11.344 185 HG2 GLN 20 HG2 GLN 20 3.635 28.928 -8.660 186 HG3 GLN 20 HG3 GLN 20 5.369 29.048 -8.956 187 HE21 GLN 20 HE21 GLN 20 6.287 31.036 -9.330 188 HE22 GLN 20 HE22 GLN 20 5.444 32.523 -9.078 189 H ARG 21 H ARG 21 2.984 27.566 -13.158 190 HA ARG 21 HA ARG 21 3.669 29.427 -15.209 191 HB2 ARG 21 HB2 ARG 21 4.411 27.055 -15.193 192 HB3 ARG 21 HB3 ARG 21 2.748 26.562 -15.483 193 HG2 ARG 21 HG2 ARG 21 2.943 28.128 -17.558 194 HG3 ARG 21 HG3 ARG 21 4.676 27.896 -17.320 195 HD2 ARG 21 HD2 ARG 21 2.899 25.507 -17.317 196 HD3 ARG 21 HD3 ARG 21 3.273 26.279 -18.858 197 HE ARG 21 HE ARG 21 5.626 25.815 -17.332 198 HH11 ARG 21 HH11 ARG 21 4.353 22.993 -19.871 199 HH12 ARG 21 HH12 ARG 21 3.269 24.241 -19.353 200 HH21 ARG 21 HH21 ARG 21 6.512 22.957 -19.104 201 HH22 ARG 21 HH22 ARG 21 7.064 24.177 -18.006 202 H TYR 22 H TYR 22 0.731 27.624 -14.386 203 HA TYR 22 HA TYR 22 -0.841 28.344 -16.564 204 HB2 TYR 22 HB2 TYR 22 -1.472 26.646 -14.874 205 HB3 TYR 22 HB3 TYR 22 -1.760 27.934 -13.710 206 HD1 TYR 22 HD1 TYR 22 -3.603 29.592 -14.166 207 HD2 TYR 22 HD2 TYR 22 -3.125 26.028 -16.441 208 HE1 TYR 22 HE1 TYR 22 -5.923 29.794 -14.959 209 HE2 TYR 22 HE2 TYR 22 -5.443 26.221 -17.241 210 HH TYR 22 HH TYR 22 -7.719 27.800 -15.918 211 H GLN 23 H GLN 23 -0.457 29.990 -13.438 212 HA GLN 23 HA GLN 23 -2.078 32.221 -14.337 213 HB2 GLN 23 HB2 GLN 23 -1.503 31.111 -11.848 214 HB3 GLN 23 HB3 GLN 23 -0.642 32.644 -11.848 215 HG2 GLN 23 HG2 GLN 23 -2.894 33.610 -12.703 216 HG3 GLN 23 HG3 GLN 23 -3.571 32.121 -12.046 217 HE21 GLN 23 HE21 GLN 23 -4.578 34.168 -10.890 218 HE22 GLN 23 HE22 GLN 23 -3.873 34.514 -9.352 219 H LYS 24 H LYS 24 0.321 31.728 -15.814 220 HA LYS 24 HA LYS 24 1.733 34.254 -15.280 221 HB2 LYS 24 HB2 LYS 24 2.827 31.531 -15.533 222 HB3 LYS 24 HB3 LYS 24 3.657 32.747 -16.495 223 HG2 LYS 24 HG2 LYS 24 3.107 33.498 -13.704 224 HG3 LYS 24 HG3 LYS 24 4.257 32.179 -13.935 225 HD2 LYS 24 HD2 LYS 24 5.472 33.654 -15.563 226 HD3 LYS 24 HD3 LYS 24 4.409 34.971 -15.061 227 HE2 LYS 24 HE2 LYS 24 5.470 35.243 -13.093 228 HE3 LYS 24 HE3 LYS 24 5.705 33.510 -12.865 229 HZ1 LYS 24 HZ1 LYS 24 7.671 35.223 -13.435 230 HZ2 LYS 24 HZ2 LYS 24 7.267 34.703 -14.993 231 HZ3 LYS 24 HZ3 LYS 24 7.721 33.575 -13.817 232 H PHE 25 H PHE 25 0.690 31.849 -17.622 233 HA PHE 25 HA PHE 25 1.104 33.833 -19.760 234 HB2 PHE 25 HB2 PHE 25 1.515 30.895 -19.665 235 HB3 PHE 25 HB3 PHE 25 0.846 31.550 -21.157 236 HD1 PHE 25 HD1 PHE 25 2.122 33.666 -22.085 237 HD2 PHE 25 HD2 PHE 25 3.795 30.769 -19.454 238 HE1 PHE 25 HE1 PHE 25 4.381 34.312 -22.816 239 HE2 PHE 25 HE2 PHE 25 6.056 31.411 -20.180 240 HZ PHE 25 HZ PHE 25 6.352 33.185 -21.862 241 H ALA 26 H ALA 26 -1.128 31.730 -18.158 242 HA ALA 26 HA ALA 26 -3.186 31.905 -20.157 243 HB1 ALA 26 HB1 ALA 26 -3.666 31.139 -17.300 244 HB2 ALA 26 HB2 ALA 26 -4.481 30.572 -18.757 245 HB3 ALA 26 HB3 ALA 26 -2.834 30.048 -18.409 246 H LEU 27 H LEU 27 -3.285 32.938 -16.746 247 HA LEU 27 HA LEU 27 -4.403 34.644 -15.728 248 HB2 LEU 27 HB2 LEU 27 -3.534 36.154 -18.187 249 HB3 LEU 27 HB3 LEU 27 -3.994 36.856 -16.637 250 HG LEU 27 HG LEU 27 -1.683 36.989 -16.607 251 HD11 LEU 27 HD11 LEU 27 -1.136 35.822 -14.747 252 HD12 LEU 27 HD12 LEU 27 -1.723 34.291 -15.397 253 HD13 LEU 27 HD13 LEU 27 -2.865 35.472 -14.755 254 HD21 LEU 27 HD21 LEU 27 -0.282 35.754 -17.842 255 HD22 LEU 27 HD22 LEU 27 -1.745 35.144 -18.616 256 HD23 LEU 27 HD23 LEU 27 -0.994 34.232 -17.305 257 HA PRO 28 HA PRO 28 -8.069 34.118 -18.632 258 HB2 PRO 28 HB2 PRO 28 -9.522 32.523 -16.983 259 HB3 PRO 28 HB3 PRO 28 -8.363 31.889 -18.157 260 HG2 PRO 28 HG2 PRO 28 -8.028 32.336 -15.216 261 HG3 PRO 28 HG3 PRO 28 -7.513 30.956 -16.204 262 HD2 PRO 28 HD2 PRO 28 -5.808 32.913 -15.433 263 HD3 PRO 28 HD3 PRO 28 -5.634 32.047 -16.973 264 H GLN 29 H GLN 29 -7.846 34.582 -15.129 265 HA GLN 29 HA GLN 29 -9.993 36.587 -15.337 266 HB2 GLN 29 HB2 GLN 29 -10.673 36.012 -13.050 267 HB3 GLN 29 HB3 GLN 29 -10.808 34.629 -14.128 268 HG2 GLN 29 HG2 GLN 29 -8.261 34.395 -13.103 269 HG3 GLN 29 HG3 GLN 29 -9.207 34.980 -11.736 270 HE21 GLN 29 HE21 GLN 29 -10.334 33.550 -10.613 271 HE22 GLN 29 HE22 GLN 29 -10.687 31.933 -11.107 272 H TYR 30 H TYR 30 -6.780 36.004 -14.654 273 HA TYR 30 HA TYR 30 -6.103 37.537 -12.489 274 HB2 TYR 30 HB2 TYR 30 -4.634 36.225 -14.229 275 HB3 TYR 30 HB3 TYR 30 -4.475 37.805 -14.987 276 HD1 TYR 30 HD1 TYR 30 -3.169 39.549 -13.964 277 HD2 TYR 30 HD2 TYR 30 -3.705 35.816 -11.994 278 HE1 TYR 30 HE1 TYR 30 -1.369 40.128 -12.391 279 HE2 TYR 30 HE2 TYR 30 -1.907 36.385 -10.414 280 HH TYR 30 HH TYR 30 0.252 38.077 -10.617 281 H LEU 31 H LEU 31 -6.205 38.753 -15.844 282 HA LEU 31 HA LEU 31 -6.239 41.488 -14.882 283 HB2 LEU 31 HB2 LEU 31 -6.344 41.991 -17.368 284 HB3 LEU 31 HB3 LEU 31 -4.888 41.201 -16.766 285 HG LEU 31 HG LEU 31 -5.951 40.421 -19.001 286 HD11 LEU 31 HD11 LEU 31 -4.297 39.246 -17.135 287 HD12 LEU 31 HD12 LEU 31 -4.581 38.680 -18.781 288 HD13 LEU 31 HD13 LEU 31 -5.516 38.010 -17.445 289 HD21 LEU 31 HD21 LEU 31 -7.630 38.860 -17.043 290 HD22 LEU 31 HD22 LEU 31 -7.622 38.701 -18.800 291 HD23 LEU 31 HD23 LEU 31 -8.227 40.179 -18.050 292 H LYS 32 H LYS 32 -8.533 39.414 -14.697 293 HA LYS 32 HA LYS 32 -10.628 41.054 -15.952 294 HB2 LYS 32 HB2 LYS 32 -10.410 38.539 -16.450 295 HB3 LYS 32 HB3 LYS 32 -11.024 38.293 -14.821 296 HG2 LYS 32 HG2 LYS 32 -13.114 39.117 -15.339 297 HG3 LYS 32 HG3 LYS 32 -12.521 40.042 -16.720 298 HD2 LYS 32 HD2 LYS 32 -13.274 38.369 -17.993 299 HD3 LYS 32 HD3 LYS 32 -11.914 37.427 -17.378 300 HE2 LYS 32 HE2 LYS 32 -13.914 36.145 -17.077 301 HE3 LYS 32 HE3 LYS 32 -13.364 36.690 -15.493 302 HZ1 LYS 32 HZ1 LYS 32 -15.109 38.614 -16.550 303 HZ2 LYS 32 HZ2 LYS 32 -15.317 37.650 -15.176 304 HZ3 LYS 32 HZ3 LYS 32 -15.854 37.101 -16.683 305 H THR 33 H THR 33 -9.724 39.429 -12.940 306 HA THR 33 HA THR 33 -11.864 40.831 -11.521 307 HB THR 33 HB THR 33 -11.585 38.423 -11.070 308 HG1 THR 33 HG1 THR 33 -11.595 38.653 -8.790 309 HG21 THR 33 HG21 THR 33 -9.654 37.450 -10.335 310 HG22 THR 33 HG22 THR 33 -9.093 38.915 -9.529 311 HG23 THR 33 HG23 THR 33 -8.953 38.763 -11.281 312 H VAL 34 H VAL 34 -8.348 40.555 -11.618 313 HA VAL 34 HA VAL 34 -7.875 42.289 -9.405 314 HB VAL 34 HB VAL 34 -5.961 41.665 -11.654 315 HG11 VAL 34 HG11 VAL 34 -5.188 43.463 -10.269 316 HG12 VAL 34 HG12 VAL 34 -5.565 42.557 -8.802 317 HG13 VAL 34 HG13 VAL 34 -4.265 42.016 -9.865 318 HG21 VAL 34 HG21 VAL 34 -6.414 40.122 -9.101 319 HG22 VAL 34 HG22 VAL 34 -6.897 39.596 -10.714 320 HG23 VAL 34 HG23 VAL 34 -5.188 39.783 -10.322 321 H TYR 35 H TYR 35 -8.341 42.748 -12.832 322 HA TYR 35 HA TYR 35 -7.324 45.412 -12.937 323 HB2 TYR 35 HB2 TYR 35 -7.970 43.565 -14.824 324 HB3 TYR 35 HB3 TYR 35 -9.366 44.633 -14.922 325 HD1 TYR 35 HD1 TYR 35 -5.829 44.248 -15.629 326 HD2 TYR 35 HD2 TYR 35 -9.054 47.020 -15.519 327 HE1 TYR 35 HE1 TYR 35 -4.528 45.807 -17.017 328 HE2 TYR 35 HE2 TYR 35 -7.764 48.586 -16.908 329 HH TYR 35 HH TYR 35 -5.798 48.306 -18.656 330 H GLN 36 H GLN 36 -10.293 44.002 -11.933 331 HA GLN 36 HA GLN 36 -11.680 46.582 -12.050 332 HB2 GLN 36 HB2 GLN 36 -12.601 44.140 -12.725 333 HB3 GLN 36 HB3 GLN 36 -13.086 44.180 -11.035 334 HG2 GLN 36 HG2 GLN 36 -14.930 45.157 -11.836 335 HG3 GLN 36 HG3 GLN 36 -13.932 46.610 -11.849 336 HE21 GLN 36 HE21 GLN 36 -16.212 45.535 -13.546 337 HE22 GLN 36 HE22 GLN 36 -15.650 45.735 -15.167 338 H HIS 37 H HIS 37 -10.591 44.098 -9.806 339 HA HIS 37 HA HIS 37 -11.693 45.436 -7.503 340 HB2 HIS 37 HB2 HIS 37 -10.007 42.996 -7.936 341 HB3 HIS 37 HB3 HIS 37 -10.142 43.687 -6.322 342 HD1 HIS 37 HD1 HIS 37 -12.236 43.182 -5.023 343 HD2 HIS 37 HD2 HIS 37 -12.508 42.048 -9.011 344 HE1 HIS 37 HE1 HIS 37 -14.369 41.862 -5.203 345 H GLN 38 H GLN 38 -8.335 44.538 -8.313 346 HA GLN 38 HA GLN 38 -7.098 46.215 -6.480 347 HB2 GLN 38 HB2 GLN 38 -6.280 44.456 -8.500 348 HB3 GLN 38 HB3 GLN 38 -5.535 45.996 -8.904 349 HG2 GLN 38 HG2 GLN 38 -5.354 44.994 -6.107 350 HG3 GLN 38 HG3 GLN 38 -4.326 44.279 -7.348 351 HE21 GLN 38 HE21 GLN 38 -2.869 45.658 -8.487 352 HE22 GLN 38 HE22 GLN 38 -2.286 47.109 -7.752 353 H LYS 39 H LYS 39 -5.671 48.109 -7.041 354 HA LYS 39 HA LYS 39 -6.516 49.782 -9.229 355 HB2 LYS 39 HB2 LYS 39 -7.824 50.024 -6.709 356 HB3 LYS 39 HB3 LYS 39 -6.814 51.446 -6.933 357 HG2 LYS 39 HG2 LYS 39 -7.896 51.945 -9.025 358 HG3 LYS 39 HG3 LYS 39 -8.831 50.450 -8.935 359 HD2 LYS 39 HD2 LYS 39 -8.983 52.636 -6.866 360 HD3 LYS 39 HD3 LYS 39 -10.066 52.533 -8.256 361 HE2 LYS 39 HE2 LYS 39 -11.327 51.015 -7.232 362 HE3 LYS 39 HE3 LYS 39 -9.924 49.997 -6.911 363 HZ1 LYS 39 HZ1 LYS 39 -11.412 51.388 -5.063 364 HZ2 LYS 39 HZ2 LYS 39 -9.963 52.251 -5.184 365 HZ3 LYS 39 HZ3 LYS 39 -9.937 50.605 -4.793 Start of MODEL 17 1 H1 LYS 1 H LYS 1 8.074 -3.003 1.959 2 HA LYS 1 HA LYS 1 8.857 -1.059 0.642 3 HB2 LYS 1 HB2 LYS 1 9.392 -2.314 -1.495 4 HB3 LYS 1 HB3 LYS 1 9.921 -3.076 -0.002 5 HG2 LYS 1 HG2 LYS 1 7.273 -3.954 -0.715 6 HG3 LYS 1 HG3 LYS 1 8.409 -4.220 -2.039 7 HD2 LYS 1 HD2 LYS 1 9.804 -5.569 -0.714 8 HD3 LYS 1 HD3 LYS 1 9.049 -5.022 0.785 9 HE2 LYS 1 HE2 LYS 1 7.084 -6.262 0.359 10 HE3 LYS 1 HE3 LYS 1 7.540 -6.551 -1.319 11 HZ1 LYS 1 HZ1 LYS 1 8.374 -7.935 1.092 12 HZ2 LYS 1 HZ2 LYS 1 9.595 -7.662 -0.046 13 HZ3 LYS 1 HZ3 LYS 1 8.204 -8.516 -0.488 14 H THR 2 H THR 2 7.539 0.631 0.186 15 HA THR 2 HA THR 2 5.576 0.261 -1.983 16 HB THR 2 HB THR 2 4.354 2.187 -1.091 17 HG1 THR 2 HG1 THR 2 6.478 2.191 0.787 18 HG21 THR 2 HG21 THR 2 4.907 0.136 1.057 19 HG22 THR 2 HG22 THR 2 3.796 -0.084 -0.295 20 HG23 THR 2 HG23 THR 2 3.471 1.151 0.921 21 H LYS 3 H LYS 3 5.575 1.665 -3.696 22 HA LYS 3 HA LYS 3 7.898 3.459 -3.873 23 HB2 LYS 3 HB2 LYS 3 7.388 1.469 -5.534 24 HB3 LYS 3 HB3 LYS 3 6.311 2.647 -6.271 25 HG2 LYS 3 HG2 LYS 3 8.069 4.074 -6.840 26 HG3 LYS 3 HG3 LYS 3 9.185 3.290 -5.720 27 HD2 LYS 3 HD2 LYS 3 8.173 1.383 -7.621 28 HD3 LYS 3 HD3 LYS 3 8.864 2.775 -8.459 29 HE2 LYS 3 HE2 LYS 3 10.855 2.489 -6.863 30 HE3 LYS 3 HE3 LYS 3 10.182 0.894 -6.526 31 HZ1 LYS 3 HZ1 LYS 3 10.466 0.243 -8.751 32 HZ2 LYS 3 HZ2 LYS 3 11.911 1.013 -8.329 33 HZ3 LYS 3 HZ3 LYS 3 10.767 1.823 -9.276 34 H LEU 4 H LEU 4 5.313 4.107 -2.613 35 HA LEU 4 HA LEU 4 4.015 5.945 -4.428 36 HB2 LEU 4 HB2 LEU 4 3.226 4.562 -2.179 37 HB3 LEU 4 HB3 LEU 4 3.366 6.221 -1.602 38 HG LEU 4 HG LEU 4 1.089 5.764 -2.259 39 HD11 LEU 4 HD11 LEU 4 1.999 8.010 -2.665 40 HD12 LEU 4 HD12 LEU 4 0.744 7.578 -3.826 41 HD13 LEU 4 HD13 LEU 4 2.442 7.522 -4.301 42 HD21 LEU 4 HD21 LEU 4 1.467 5.530 -5.110 43 HD22 LEU 4 HD22 LEU 4 0.530 4.516 -4.011 44 HD23 LEU 4 HD23 LEU 4 2.250 4.203 -4.252 45 H THR 5 H THR 5 6.210 6.092 -1.681 46 HA THR 5 HA THR 5 6.158 8.817 -1.152 47 HB THR 5 HB THR 5 8.565 6.990 -1.015 48 HG1 THR 5 HG1 THR 5 6.358 7.434 0.675 49 HG21 THR 5 HG21 THR 5 8.312 9.780 -0.552 50 HG22 THR 5 HG22 THR 5 9.711 8.746 -0.265 51 HG23 THR 5 HG23 THR 5 8.518 8.991 1.010 52 H GLU 6 H GLU 6 7.875 7.035 -3.655 53 HA GLU 6 HA GLU 6 9.492 9.196 -4.533 54 HB2 GLU 6 HB2 GLU 6 9.999 6.829 -5.029 55 HB3 GLU 6 HB3 GLU 6 8.582 6.755 -6.067 56 HG2 GLU 6 HG2 GLU 6 9.645 7.703 -7.776 57 HG3 GLU 6 HG3 GLU 6 10.374 8.940 -6.753 58 H GLU 7 H GLU 7 6.694 7.681 -6.152 59 HA GLU 7 HA GLU 7 6.302 9.537 -8.135 60 HB2 GLU 7 HB2 GLU 7 4.971 7.309 -7.299 61 HB3 GLU 7 HB3 GLU 7 3.808 8.566 -6.903 62 HG2 GLU 7 HG2 GLU 7 4.237 9.379 -9.324 63 HG3 GLU 7 HG3 GLU 7 4.877 7.754 -9.569 64 H GLU 8 H GLU 8 5.218 9.679 -4.782 65 HA GLU 8 HA GLU 8 3.480 11.811 -4.864 66 HB2 GLU 8 HB2 GLU 8 3.959 10.480 -2.843 67 HB3 GLU 8 HB3 GLU 8 5.536 11.248 -2.720 68 HG2 GLU 8 HG2 GLU 8 4.660 12.899 -1.549 69 HG3 GLU 8 HG3 GLU 8 3.574 13.289 -2.882 70 H LYS 9 H LYS 9 6.998 11.990 -4.316 71 HA LYS 9 HA LYS 9 7.209 14.769 -4.258 72 HB2 LYS 9 HB2 LYS 9 9.112 13.649 -3.530 73 HB3 LYS 9 HB3 LYS 9 9.119 12.554 -4.906 74 HG2 LYS 9 HG2 LYS 9 10.306 13.966 -6.196 75 HG3 LYS 9 HG3 LYS 9 9.518 15.402 -5.538 76 HD2 LYS 9 HD2 LYS 9 11.451 13.795 -3.900 77 HD3 LYS 9 HD3 LYS 9 12.013 15.034 -5.025 78 HE2 LYS 9 HE2 LYS 9 9.839 15.801 -3.171 79 HE3 LYS 9 HE3 LYS 9 11.429 15.534 -2.458 80 HZ1 LYS 9 HZ1 LYS 9 11.102 17.845 -3.104 81 HZ2 LYS 9 HZ2 LYS 9 10.845 17.381 -4.710 82 HZ3 LYS 9 HZ3 LYS 9 12.358 17.141 -3.992 83 H ASN 10 H ASN 10 7.424 12.527 -6.996 84 HA ASN 10 HA ASN 10 8.128 14.351 -8.979 85 HB2 ASN 10 HB2 ASN 10 6.486 11.819 -9.113 86 HB3 ASN 10 HB3 ASN 10 6.975 12.723 -10.544 87 HD21 ASN 10 HD21 ASN 10 8.054 10.770 -7.877 88 HD22 ASN 10 HD22 ASN 10 9.624 10.420 -8.508 89 H ARG 11 H ARG 11 5.107 13.842 -7.365 90 HA ARG 11 HA ARG 11 3.526 15.233 -9.336 91 HB2 ARG 11 HB2 ARG 11 2.852 13.403 -7.518 92 HB3 ARG 11 HB3 ARG 11 2.538 14.841 -6.556 93 HG2 ARG 11 HG2 ARG 11 1.419 14.757 -9.299 94 HG3 ARG 11 HG3 ARG 11 0.684 13.719 -8.074 95 HD2 ARG 11 HD2 ARG 11 1.079 16.703 -7.872 96 HD3 ARG 11 HD3 ARG 11 -0.446 15.880 -8.200 97 HE ARG 11 HE ARG 11 0.862 16.169 -5.649 98 HH11 ARG 11 HH11 ARG 11 -2.303 13.766 -6.131 99 HH12 ARG 11 HH12 ARG 11 -1.445 14.351 -7.518 100 HH21 ARG 11 HH21 ARG 11 -1.629 14.367 -4.026 101 HH22 ARG 11 HH22 ARG 11 -0.260 15.405 -3.816 102 H LEU 12 H LEU 12 4.815 15.935 -6.107 103 HA LEU 12 HA LEU 12 3.705 18.393 -5.615 104 HB2 LEU 12 HB2 LEU 12 6.603 17.803 -5.082 105 HB3 LEU 12 HB3 LEU 12 5.513 18.833 -4.156 106 HG LEU 12 HG LEU 12 5.530 15.822 -4.276 107 HD11 LEU 12 HD11 LEU 12 5.681 16.338 -1.713 108 HD12 LEU 12 HD12 LEU 12 6.321 17.881 -2.275 109 HD13 LEU 12 HD13 LEU 12 7.124 16.378 -2.726 110 HD21 LEU 12 HD21 LEU 12 3.275 16.156 -4.128 111 HD22 LEU 12 HD22 LEU 12 3.445 17.741 -3.372 112 HD23 LEU 12 HD23 LEU 12 3.710 16.277 -2.423 113 H ASN 13 H ASN 13 6.813 17.838 -7.279 114 HA ASN 13 HA ASN 13 7.396 20.449 -7.955 115 HB2 ASN 13 HB2 ASN 13 7.927 18.080 -9.754 116 HB3 ASN 13 HB3 ASN 13 8.856 19.573 -9.646 117 HD21 ASN 13 HD21 ASN 13 8.752 16.413 -8.743 118 HD22 ASN 13 HD22 ASN 13 9.824 16.466 -7.389 119 H PHE 14 H PHE 14 5.193 18.200 -9.508 120 HA PHE 14 HA PHE 14 4.749 19.666 -11.874 121 HB2 PHE 14 HB2 PHE 14 4.077 17.232 -11.276 122 HB3 PHE 14 HB3 PHE 14 2.633 17.964 -10.586 123 HD1 PHE 14 HD1 PHE 14 4.542 17.460 -13.695 124 HD2 PHE 14 HD2 PHE 14 0.881 18.768 -11.962 125 HE1 PHE 14 HE1 PHE 14 3.504 17.501 -15.926 126 HE2 PHE 14 HE2 PHE 14 -0.162 18.811 -14.189 127 HZ PHE 14 HZ PHE 14 1.149 18.176 -16.175 128 H LEU 15 H LEU 15 2.434 19.276 -9.191 129 HA LEU 15 HA LEU 15 0.714 21.310 -9.856 130 HB2 LEU 15 HB2 LEU 15 1.463 19.978 -7.315 131 HB3 LEU 15 HB3 LEU 15 0.523 21.465 -7.203 132 HG LEU 15 HG LEU 15 -0.826 19.367 -7.125 133 HD11 LEU 15 HD11 LEU 15 -1.613 21.658 -7.955 134 HD12 LEU 15 HD12 LEU 15 -2.594 20.251 -8.364 135 HD13 LEU 15 HD13 LEU 15 -1.519 20.957 -9.571 136 HD21 LEU 15 HD21 LEU 15 -0.432 19.096 -10.068 137 HD22 LEU 15 HD22 LEU 15 -0.988 17.907 -8.891 138 HD23 LEU 15 HD23 LEU 15 0.721 18.338 -8.970 139 H LYS 16 H LYS 16 3.800 21.524 -8.208 140 HA LYS 16 HA LYS 16 3.608 24.150 -7.247 141 HB2 LYS 16 HB2 LYS 16 5.880 22.338 -7.960 142 HB3 LYS 16 HB3 LYS 16 6.212 24.029 -7.608 143 HG2 LYS 16 HG2 LYS 16 4.490 22.960 -5.592 144 HG3 LYS 16 HG3 LYS 16 5.896 21.912 -5.792 145 HD2 LYS 16 HD2 LYS 16 7.372 23.543 -5.136 146 HD3 LYS 16 HD3 LYS 16 6.320 24.858 -5.664 147 HE2 LYS 16 HE2 LYS 16 5.047 24.786 -3.739 148 HE3 LYS 16 HE3 LYS 16 5.471 23.110 -3.397 149 HZ1 LYS 16 HZ1 LYS 16 7.658 25.026 -3.355 150 HZ2 LYS 16 HZ2 LYS 16 7.354 23.707 -2.341 151 HZ3 LYS 16 HZ3 LYS 16 6.528 25.163 -2.103 152 H LYS 17 H LYS 17 4.978 22.930 -10.298 153 HA LYS 17 HA LYS 17 5.433 25.577 -11.318 154 HB2 LYS 17 HB2 LYS 17 5.979 22.826 -12.161 155 HB3 LYS 17 HB3 LYS 17 5.550 23.889 -13.494 156 HG2 LYS 17 HG2 LYS 17 7.375 25.299 -13.110 157 HG3 LYS 17 HG3 LYS 17 7.643 24.654 -11.489 158 HD2 LYS 17 HD2 LYS 17 8.029 22.406 -12.781 159 HD3 LYS 17 HD3 LYS 17 8.346 23.482 -14.144 160 HE2 LYS 17 HE2 LYS 17 9.681 24.019 -11.533 161 HE3 LYS 17 HE3 LYS 17 10.284 22.707 -12.544 162 HZ1 LYS 17 HZ1 LYS 17 11.126 25.193 -12.785 163 HZ2 LYS 17 HZ2 LYS 17 9.818 25.269 -13.853 164 HZ3 LYS 17 HZ3 LYS 17 11.047 24.134 -14.102 165 H ILE 18 H ILE 18 2.782 23.430 -11.213 166 HA ILE 18 HA ILE 18 1.453 24.318 -13.583 167 HB ILE 18 HB ILE 18 0.526 22.790 -11.163 168 HG12 ILE 18 HG12 ILE 18 1.965 21.711 -12.938 169 HG13 ILE 18 HG13 ILE 18 0.413 20.928 -12.656 170 HG21 ILE 18 HG21 ILE 18 -1.099 23.829 -13.466 171 HG22 ILE 18 HG22 ILE 18 -1.596 22.430 -12.515 172 HG23 ILE 18 HG23 ILE 18 -1.406 24.002 -11.738 173 HD11 ILE 18 HD11 ILE 18 0.488 22.974 -14.779 174 HD12 ILE 18 HD12 ILE 18 1.359 21.471 -15.087 175 HD13 ILE 18 HD13 ILE 18 -0.364 21.432 -14.711 176 H SER 19 H SER 19 0.882 24.932 -10.115 177 HA SER 19 HA SER 19 -1.107 26.900 -10.548 178 HB2 SER 19 HB2 SER 19 -1.101 27.216 -8.223 179 HB3 SER 19 HB3 SER 19 -0.583 25.540 -8.405 180 HG SER 19 HG SER 19 1.555 26.225 -8.119 181 H GLN 20 H GLN 20 2.258 26.976 -10.895 182 HA GLN 20 HA GLN 20 2.443 29.859 -10.459 183 HB2 GLN 20 HB2 GLN 20 4.466 27.684 -10.914 184 HB3 GLN 20 HB3 GLN 20 4.905 29.377 -11.103 185 HG2 GLN 20 HG2 GLN 20 3.553 28.510 -8.598 186 HG3 GLN 20 HG3 GLN 20 5.259 28.132 -8.830 187 HE21 GLN 20 HE21 GLN 20 4.726 29.669 -6.763 188 HE22 GLN 20 HE22 GLN 20 5.145 31.319 -7.058 189 H ARG 21 H ARG 21 2.886 27.458 -13.029 190 HA ARG 21 HA ARG 21 3.463 29.421 -15.033 191 HB2 ARG 21 HB2 ARG 21 4.344 27.177 -15.272 192 HB3 ARG 21 HB3 ARG 21 2.722 26.499 -15.241 193 HG2 ARG 21 HG2 ARG 21 2.203 27.558 -17.354 194 HG3 ARG 21 HG3 ARG 21 3.787 28.335 -17.376 195 HD2 ARG 21 HD2 ARG 21 4.533 25.771 -17.068 196 HD3 ARG 21 HD3 ARG 21 3.028 25.541 -17.957 197 HE ARG 21 HE ARG 21 4.581 27.523 -19.220 198 HH11 ARG 21 HH11 ARG 21 5.358 23.702 -20.130 199 HH12 ARG 21 HH12 ARG 21 4.503 24.086 -18.673 200 HH21 ARG 21 HH21 ARG 21 6.044 25.379 -21.533 201 HH22 ARG 21 HH22 ARG 21 5.708 27.031 -21.142 202 H TYR 22 H TYR 22 0.629 27.455 -14.197 203 HA TYR 22 HA TYR 22 -1.067 28.197 -16.253 204 HB2 TYR 22 HB2 TYR 22 -1.593 26.451 -14.595 205 HB3 TYR 22 HB3 TYR 22 -1.813 27.689 -13.364 206 HD1 TYR 22 HD1 TYR 22 -3.307 25.965 -16.182 207 HD2 TYR 22 HD2 TYR 22 -3.733 29.256 -13.520 208 HE1 TYR 22 HE1 TYR 22 -5.675 26.162 -16.816 209 HE2 TYR 22 HE2 TYR 22 -6.103 29.462 -14.145 210 HH TYR 22 HH TYR 22 -7.422 28.255 -16.775 211 H GLN 23 H GLN 23 -0.516 29.821 -13.147 212 HA GLN 23 HA GLN 23 -2.286 31.998 -13.874 213 HB2 GLN 23 HB2 GLN 23 -1.444 30.903 -11.462 214 HB3 GLN 23 HB3 GLN 23 -0.616 32.453 -11.535 215 HG2 GLN 23 HG2 GLN 23 -2.945 33.395 -12.143 216 HG3 GLN 23 HG3 GLN 23 -3.545 31.879 -11.475 217 HE21 GLN 23 HE21 GLN 23 -3.275 34.928 -10.704 218 HE22 GLN 23 HE22 GLN 23 -2.909 34.835 -9.018 219 H LYS 24 H LYS 24 0.406 31.324 -15.207 220 HA LYS 24 HA LYS 24 1.509 34.053 -15.051 221 HB2 LYS 24 HB2 LYS 24 2.845 31.415 -14.986 222 HB3 LYS 24 HB3 LYS 24 3.606 32.630 -16.004 223 HG2 LYS 24 HG2 LYS 24 2.835 33.403 -13.242 224 HG3 LYS 24 HG3 LYS 24 4.237 32.353 -13.461 225 HD2 LYS 24 HD2 LYS 24 5.357 34.288 -13.712 226 HD3 LYS 24 HD3 LYS 24 4.702 34.248 -15.350 227 HE2 LYS 24 HE2 LYS 24 2.658 35.387 -13.930 228 HE3 LYS 24 HE3 LYS 24 4.083 36.031 -13.114 229 HZ1 LYS 24 HZ1 LYS 24 3.536 36.191 -16.029 230 HZ2 LYS 24 HZ2 LYS 24 4.909 36.802 -15.253 231 HZ3 LYS 24 HZ3 LYS 24 3.387 37.463 -14.924 232 H PHE 25 H PHE 25 -0.085 31.841 -16.948 233 HA PHE 25 HA PHE 25 0.637 33.321 -19.377 234 HB2 PHE 25 HB2 PHE 25 1.026 30.467 -18.872 235 HB3 PHE 25 HB3 PHE 25 0.087 30.785 -20.327 236 HD1 PHE 25 HD1 PHE 25 3.330 31.233 -18.682 237 HD2 PHE 25 HD2 PHE 25 1.079 31.826 -22.246 238 HE1 PHE 25 HE1 PHE 25 5.407 31.716 -19.909 239 HE2 PHE 25 HE2 PHE 25 3.153 32.309 -23.479 240 HZ PHE 25 HZ PHE 25 5.320 32.254 -22.311 241 H ALA 26 H ALA 26 -1.663 31.259 -17.688 242 HA ALA 26 HA ALA 26 -3.754 31.498 -19.597 243 HB1 ALA 26 HB1 ALA 26 -3.545 29.711 -17.838 244 HB2 ALA 26 HB2 ALA 26 -4.086 30.911 -16.663 245 HB3 ALA 26 HB3 ALA 26 -5.144 30.439 -17.992 246 H LEU 27 H LEU 27 -3.767 32.768 -16.268 247 HA LEU 27 HA LEU 27 -4.784 34.597 -15.364 248 HB2 LEU 27 HB2 LEU 27 -3.846 35.881 -17.924 249 HB3 LEU 27 HB3 LEU 27 -4.271 36.718 -16.433 250 HG LEU 27 HG LEU 27 -1.961 36.739 -16.387 251 HD11 LEU 27 HD11 LEU 27 -1.388 35.545 -14.509 252 HD12 LEU 27 HD12 LEU 27 -2.281 34.111 -15.013 253 HD13 LEU 27 HD13 LEU 27 -3.148 35.522 -14.407 254 HD21 LEU 27 HD21 LEU 27 -0.517 35.119 -17.233 255 HD22 LEU 27 HD22 LEU 27 -1.869 35.102 -18.367 256 HD23 LEU 27 HD23 LEU 27 -1.734 33.845 -17.136 257 HA PRO 28 HA PRO 28 -8.487 34.075 -18.227 258 HB2 PRO 28 HB2 PRO 28 -10.006 32.641 -16.492 259 HB3 PRO 28 HB3 PRO 28 -8.883 31.891 -17.633 260 HG2 PRO 28 HG2 PRO 28 -8.514 32.478 -14.721 261 HG3 PRO 28 HG3 PRO 28 -8.069 31.025 -15.635 262 HD2 PRO 28 HD2 PRO 28 -6.269 32.937 -14.974 263 HD3 PRO 28 HD3 PRO 28 -6.144 31.982 -16.466 264 H GLN 29 H GLN 29 -8.219 34.720 -14.757 265 HA GLN 29 HA GLN 29 -10.280 36.802 -15.065 266 HB2 GLN 29 HB2 GLN 29 -10.273 34.553 -13.314 267 HB3 GLN 29 HB3 GLN 29 -10.100 36.004 -12.337 268 HG2 GLN 29 HG2 GLN 29 -12.128 36.904 -13.137 269 HG3 GLN 29 HG3 GLN 29 -12.232 35.708 -14.428 270 HE21 GLN 29 HE21 GLN 29 -13.902 34.448 -14.034 271 HE22 GLN 29 HE22 GLN 29 -14.296 33.727 -12.514 272 H TYR 30 H TYR 30 -7.086 36.121 -14.371 273 HA TYR 30 HA TYR 30 -6.323 37.752 -12.309 274 HB2 TYR 30 HB2 TYR 30 -4.923 36.272 -13.960 275 HB3 TYR 30 HB3 TYR 30 -4.717 37.782 -14.840 276 HD1 TYR 30 HD1 TYR 30 -4.519 36.596 -11.293 277 HD2 TYR 30 HD2 TYR 30 -2.792 38.955 -14.385 278 HE1 TYR 30 HE1 TYR 30 -2.680 37.217 -9.784 279 HE2 TYR 30 HE2 TYR 30 -0.947 39.581 -12.884 280 HH TYR 30 HH TYR 30 0.156 38.447 -10.750 281 H LEU 31 H LEU 31 -6.399 38.766 -15.731 282 HA LEU 31 HA LEU 31 -6.313 41.554 -14.934 283 HB2 LEU 31 HB2 LEU 31 -6.409 41.911 -17.446 284 HB3 LEU 31 HB3 LEU 31 -4.983 41.100 -16.800 285 HG LEU 31 HG LEU 31 -6.087 40.231 -18.983 286 HD11 LEU 31 HD11 LEU 31 -5.745 37.902 -17.284 287 HD12 LEU 31 HD12 LEU 31 -4.476 39.103 -17.050 288 HD13 LEU 31 HD13 LEU 31 -4.788 38.452 -18.659 289 HD21 LEU 31 HD21 LEU 31 -8.367 40.142 -18.014 290 HD22 LEU 31 HD22 LEU 31 -7.821 38.860 -16.932 291 HD23 LEU 31 HD23 LEU 31 -7.827 38.599 -18.676 292 H LYS 32 H LYS 32 -8.691 39.594 -14.618 293 HA LYS 32 HA LYS 32 -10.721 41.240 -15.967 294 HB2 LYS 32 HB2 LYS 32 -10.610 38.692 -16.309 295 HB3 LYS 32 HB3 LYS 32 -11.227 38.573 -14.666 296 HG2 LYS 32 HG2 LYS 32 -13.261 39.600 -15.241 297 HG3 LYS 32 HG3 LYS 32 -12.626 40.174 -16.785 298 HD2 LYS 32 HD2 LYS 32 -13.411 38.334 -17.754 299 HD3 LYS 32 HD3 LYS 32 -12.312 37.370 -16.764 300 HE2 LYS 32 HE2 LYS 32 -13.988 37.228 -15.010 301 HE3 LYS 32 HE3 LYS 32 -15.077 38.256 -15.940 302 HZ1 LYS 32 HZ1 LYS 32 -14.358 36.168 -17.607 303 HZ2 LYS 32 HZ2 LYS 32 -15.861 36.424 -16.875 304 HZ3 LYS 32 HZ3 LYS 32 -14.702 35.459 -16.109 305 H THR 33 H THR 33 -9.872 39.767 -12.862 306 HA THR 33 HA THR 33 -11.943 41.344 -11.528 307 HB THR 33 HB THR 33 -11.765 38.958 -10.932 308 HG1 THR 33 HG1 THR 33 -12.545 40.303 -9.318 309 HG21 THR 33 HG21 THR 33 -9.250 39.435 -9.424 310 HG22 THR 33 HG22 THR 33 -9.122 39.173 -11.164 311 HG23 THR 33 HG23 THR 33 -9.876 37.951 -10.141 312 H VAL 34 H VAL 34 -8.443 40.911 -11.616 313 HA VAL 34 HA VAL 34 -7.885 42.755 -9.514 314 HB VAL 34 HB VAL 34 -6.011 41.913 -11.725 315 HG11 VAL 34 HG11 VAL 34 -5.532 42.904 -8.917 316 HG12 VAL 34 HG12 VAL 34 -4.279 42.328 -10.019 317 HG13 VAL 34 HG13 VAL 34 -5.203 43.779 -10.412 318 HG21 VAL 34 HG21 VAL 34 -5.307 40.091 -10.266 319 HG22 VAL 34 HG22 VAL 34 -6.536 40.546 -9.086 320 HG23 VAL 34 HG23 VAL 34 -7.016 39.942 -10.672 321 H TYR 35 H TYR 35 -8.352 43.024 -12.960 322 HA TYR 35 HA TYR 35 -7.221 45.630 -13.231 323 HB2 TYR 35 HB2 TYR 35 -7.953 43.702 -15.000 324 HB3 TYR 35 HB3 TYR 35 -9.304 44.819 -15.158 325 HD1 TYR 35 HD1 TYR 35 -5.848 44.187 -15.959 326 HD2 TYR 35 HD2 TYR 35 -8.840 47.208 -15.793 327 HE1 TYR 35 HE1 TYR 35 -4.492 45.604 -17.444 328 HE2 TYR 35 HE2 TYR 35 -7.493 48.632 -17.278 329 HH TYR 35 HH TYR 35 -4.285 47.609 -18.393 330 H GLN 36 H GLN 36 -10.241 44.413 -12.133 331 HA GLN 36 HA GLN 36 -11.516 47.039 -12.404 332 HB2 GLN 36 HB2 GLN 36 -12.545 44.604 -12.928 333 HB3 GLN 36 HB3 GLN 36 -13.019 44.767 -11.243 334 HG2 GLN 36 HG2 GLN 36 -14.837 45.703 -12.201 335 HG3 GLN 36 HG3 GLN 36 -13.826 47.143 -12.093 336 HE21 GLN 36 HE21 GLN 36 -13.178 48.142 -13.919 337 HE22 GLN 36 HE22 GLN 36 -13.602 47.628 -15.513 338 H HIS 37 H HIS 37 -10.524 44.651 -10.016 339 HA HIS 37 HA HIS 37 -11.556 46.171 -7.796 340 HB2 HIS 37 HB2 HIS 37 -9.979 43.638 -8.085 341 HB3 HIS 37 HB3 HIS 37 -10.075 44.431 -6.515 342 HD1 HIS 37 HD1 HIS 37 -12.181 44.096 -5.182 343 HD2 HIS 37 HD2 HIS 37 -12.525 42.739 -9.094 344 HE1 HIS 37 HE1 HIS 37 -14.370 42.861 -5.275 345 H GLN 38 H GLN 38 -8.244 45.084 -8.562 346 HA GLN 38 HA GLN 38 -6.927 46.814 -6.835 347 HB2 GLN 38 HB2 GLN 38 -6.195 44.900 -8.745 348 HB3 GLN 38 HB3 GLN 38 -5.386 46.379 -9.244 349 HG2 GLN 38 HG2 GLN 38 -5.236 45.542 -6.392 350 HG3 GLN 38 HG3 GLN 38 -4.245 44.709 -7.588 351 HE21 GLN 38 HE21 GLN 38 -2.742 45.959 -8.819 352 HE22 GLN 38 HE22 GLN 38 -2.092 47.422 -8.172 353 H LYS 39 H LYS 39 -5.486 48.640 -7.442 354 HA LYS 39 HA LYS 39 -6.475 50.253 -9.674 355 HB2 LYS 39 HB2 LYS 39 -7.529 50.742 -7.273 356 HB3 LYS 39 HB3 LYS 39 -6.044 51.666 -7.089 357 HG2 LYS 39 HG2 LYS 39 -6.665 53.234 -8.604 358 HG3 LYS 39 HG3 LYS 39 -7.597 52.090 -9.573 359 HD2 LYS 39 HD2 LYS 39 -9.485 52.356 -8.317 360 HD3 LYS 39 HD3 LYS 39 -8.584 52.708 -6.841 361 HE2 LYS 39 HE2 LYS 39 -8.378 54.932 -7.335 362 HE3 LYS 39 HE3 LYS 39 -8.429 54.661 -9.077 363 HZ1 LYS 39 HZ1 LYS 39 -10.854 54.044 -7.587 364 HZ2 LYS 39 HZ2 LYS 39 -10.671 54.742 -9.116 365 HZ3 LYS 39 HZ3 LYS 39 -10.455 55.682 -7.727 Start of MODEL 18 1 H1 LYS 1 H LYS 1 2.081 1.834 -4.988 2 HA LYS 1 HA LYS 1 0.704 0.740 -2.622 3 HB2 LYS 1 HB2 LYS 1 1.886 -0.591 -4.932 4 HB3 LYS 1 HB3 LYS 1 2.531 -1.192 -3.410 5 HG2 LYS 1 HG2 LYS 1 0.686 -2.349 -3.005 6 HG3 LYS 1 HG3 LYS 1 -0.334 -0.934 -3.273 7 HD2 LYS 1 HD2 LYS 1 -0.261 -1.332 -5.682 8 HD3 LYS 1 HD3 LYS 1 0.779 -2.735 -5.425 9 HE2 LYS 1 HE2 LYS 1 -1.016 -3.781 -4.094 10 HE3 LYS 1 HE3 LYS 1 -2.052 -2.397 -4.438 11 HZ1 LYS 1 HZ1 LYS 1 -2.228 -4.507 -5.889 12 HZ2 LYS 1 HZ2 LYS 1 -0.844 -3.910 -6.655 13 HZ3 LYS 1 HZ3 LYS 1 -2.264 -2.991 -6.638 14 H THR 2 H THR 2 3.986 0.726 -4.025 15 HA THR 2 HA THR 2 5.007 1.542 -1.382 16 HB THR 2 HB THR 2 7.151 0.313 -2.601 17 HG1 THR 2 HG1 THR 2 6.388 -1.605 -3.463 18 HG21 THR 2 HG21 THR 2 6.837 -0.085 -0.337 19 HG22 THR 2 HG22 THR 2 6.437 -1.651 -1.044 20 HG23 THR 2 HG23 THR 2 5.150 -0.552 -0.549 21 H LYS 3 H LYS 3 7.437 2.297 -1.715 22 HA LYS 3 HA LYS 3 8.714 4.073 -2.361 23 HB2 LYS 3 HB2 LYS 3 7.875 3.480 -5.185 24 HB3 LYS 3 HB3 LYS 3 9.437 4.030 -4.593 25 HG2 LYS 3 HG2 LYS 3 10.075 1.909 -4.794 26 HG3 LYS 3 HG3 LYS 3 9.136 1.617 -3.328 27 HD2 LYS 3 HD2 LYS 3 7.281 0.837 -4.544 28 HD3 LYS 3 HD3 LYS 3 7.888 1.507 -6.060 29 HE2 LYS 3 HE2 LYS 3 9.831 -0.296 -5.017 30 HE3 LYS 3 HE3 LYS 3 8.261 -1.097 -5.004 31 HZ1 LYS 3 HZ1 LYS 3 9.788 -0.052 -7.291 32 HZ2 LYS 3 HZ2 LYS 3 8.104 -0.168 -7.396 33 HZ3 LYS 3 HZ3 LYS 3 9.030 -1.554 -7.106 34 H LEU 4 H LEU 4 6.593 5.160 -1.389 35 HA LEU 4 HA LEU 4 5.229 6.816 -3.352 36 HB2 LEU 4 HB2 LEU 4 4.575 5.773 -0.831 37 HB3 LEU 4 HB3 LEU 4 4.665 7.521 -0.624 38 HG LEU 4 HG LEU 4 3.099 7.608 -2.683 39 HD11 LEU 4 HD11 LEU 4 2.232 4.913 -1.731 40 HD12 LEU 4 HD12 LEU 4 3.471 5.053 -2.978 41 HD13 LEU 4 HD13 LEU 4 1.870 5.741 -3.246 42 HD21 LEU 4 HD21 LEU 4 1.121 7.266 -1.187 43 HD22 LEU 4 HD22 LEU 4 2.362 8.337 -0.536 44 HD23 LEU 4 HD23 LEU 4 2.234 6.678 0.049 45 H THR 5 H THR 5 7.555 7.132 -0.727 46 HA THR 5 HA THR 5 7.682 9.873 -0.444 47 HB THR 5 HB THR 5 10.101 9.542 0.160 48 HG1 THR 5 HG1 THR 5 10.927 7.460 0.082 49 HG21 THR 5 HG21 THR 5 9.623 8.483 2.194 50 HG22 THR 5 HG22 THR 5 8.402 7.438 1.468 51 HG23 THR 5 HG23 THR 5 8.073 9.155 1.691 52 H GLU 6 H GLU 6 9.085 7.843 -2.953 53 HA GLU 6 HA GLU 6 10.660 9.906 -4.135 54 HB2 GLU 6 HB2 GLU 6 10.083 7.102 -4.636 55 HB3 GLU 6 HB3 GLU 6 10.139 8.031 -6.127 56 HG2 GLU 6 HG2 GLU 6 12.353 8.321 -6.013 57 HG3 GLU 6 HG3 GLU 6 12.328 8.603 -4.273 58 H GLU 7 H GLU 7 7.792 8.222 -5.431 59 HA GLU 7 HA GLU 7 7.238 9.904 -7.527 60 HB2 GLU 7 HB2 GLU 7 6.013 7.727 -6.438 61 HB3 GLU 7 HB3 GLU 7 4.847 8.990 -6.069 62 HG2 GLU 7 HG2 GLU 7 5.108 9.615 -8.568 63 HG3 GLU 7 HG3 GLU 7 5.768 7.988 -8.725 64 H GLU 8 H GLU 8 6.358 10.298 -4.135 65 HA GLU 8 HA GLU 8 4.568 12.384 -4.279 66 HB2 GLU 8 HB2 GLU 8 5.263 11.195 -2.199 67 HB3 GLU 8 HB3 GLU 8 6.766 12.107 -2.223 68 HG2 GLU 8 HG2 GLU 8 5.110 13.034 -0.667 69 HG3 GLU 8 HG3 GLU 8 5.575 14.174 -1.928 70 H LYS 9 H LYS 9 8.109 12.670 -3.971 71 HA LYS 9 HA LYS 9 8.257 15.448 -4.148 72 HB2 LYS 9 HB2 LYS 9 10.226 14.424 -3.451 73 HB3 LYS 9 HB3 LYS 9 10.176 13.224 -4.736 74 HG2 LYS 9 HG2 LYS 9 11.252 14.551 -6.201 75 HG3 LYS 9 HG3 LYS 9 10.468 16.020 -5.613 76 HD2 LYS 9 HD2 LYS 9 12.277 14.817 -3.664 77 HD3 LYS 9 HD3 LYS 9 13.083 15.298 -5.159 78 HE2 LYS 9 HE2 LYS 9 11.603 17.482 -4.764 79 HE3 LYS 9 HE3 LYS 9 11.753 16.953 -3.089 80 HZ1 LYS 9 HZ1 LYS 9 13.515 18.508 -3.824 81 HZ2 LYS 9 HZ2 LYS 9 14.060 17.338 -4.916 82 HZ3 LYS 9 HZ3 LYS 9 14.116 17.033 -3.253 83 H ASN 10 H ASN 10 8.361 12.995 -6.705 84 HA ASN 10 HA ASN 10 8.900 14.664 -8.868 85 HB2 ASN 10 HB2 ASN 10 7.311 12.100 -8.698 86 HB3 ASN 10 HB3 ASN 10 7.695 12.892 -10.223 87 HD21 ASN 10 HD21 ASN 10 8.974 11.187 -7.474 88 HD22 ASN 10 HD22 ASN 10 10.511 10.813 -8.170 89 H ARG 11 H ARG 11 5.995 14.234 -7.033 90 HA ARG 11 HA ARG 11 4.266 15.429 -9.007 91 HB2 ARG 11 HB2 ARG 11 3.727 13.735 -7.038 92 HB3 ARG 11 HB3 ARG 11 3.482 15.225 -6.137 93 HG2 ARG 11 HG2 ARG 11 2.018 15.812 -8.279 94 HG3 ARG 11 HG3 ARG 11 1.895 14.053 -8.341 95 HD2 ARG 11 HD2 ARG 11 0.055 15.022 -7.064 96 HD3 ARG 11 HD3 ARG 11 1.084 14.021 -6.040 97 HE ARG 11 HE ARG 11 2.089 16.524 -5.720 98 HH11 ARG 11 HH11 ARG 11 -1.585 16.225 -4.160 99 HH12 ARG 11 HH12 ARG 11 -1.080 15.120 -5.395 100 HH21 ARG 11 HH21 ARG 11 -0.154 17.854 -3.422 101 HH22 ARG 11 HH22 ARG 11 1.435 17.985 -4.095 102 H LEU 12 H LEU 12 5.727 16.417 -5.930 103 HA LEU 12 HA LEU 12 4.592 18.886 -5.573 104 HB2 LEU 12 HB2 LEU 12 7.529 18.396 -5.169 105 HB3 LEU 12 HB3 LEU 12 6.471 19.477 -4.264 106 HG LEU 12 HG LEU 12 6.557 16.467 -4.143 107 HD11 LEU 12 HD11 LEU 12 7.255 16.765 -1.898 108 HD12 LEU 12 HD12 LEU 12 6.933 18.497 -1.955 109 HD13 LEU 12 HD13 LEU 12 8.266 17.817 -2.888 110 HD21 LEU 12 HD21 LEU 12 4.437 18.380 -3.399 111 HD22 LEU 12 HD22 LEU 12 4.841 17.158 -2.193 112 HD23 LEU 12 HD23 LEU 12 4.332 16.668 -3.810 113 H ASN 13 H ASN 13 7.602 18.246 -7.379 114 HA ASN 13 HA ASN 13 8.095 20.801 -8.294 115 HB2 ASN 13 HB2 ASN 13 8.555 18.296 -9.921 116 HB3 ASN 13 HB3 ASN 13 9.453 19.809 -10.011 117 HD21 ASN 13 HD21 ASN 13 9.486 16.741 -8.826 118 HD22 ASN 13 HD22 ASN 13 10.647 16.935 -7.562 119 H PHE 14 H PHE 14 5.831 18.414 -9.511 120 HA PHE 14 HA PHE 14 5.215 19.673 -11.956 121 HB2 PHE 14 HB2 PHE 14 4.617 17.292 -11.121 122 HB3 PHE 14 HB3 PHE 14 3.213 18.065 -10.392 123 HD1 PHE 14 HD1 PHE 14 4.923 17.373 -13.587 124 HD2 PHE 14 HD2 PHE 14 1.347 18.694 -11.693 125 HE1 PHE 14 HE1 PHE 14 3.733 17.224 -15.736 126 HE2 PHE 14 HE2 PHE 14 0.152 18.546 -13.838 127 HZ PHE 14 HZ PHE 14 1.345 17.810 -15.863 128 H LEU 15 H LEU 15 3.080 19.489 -9.108 129 HA LEU 15 HA LEU 15 1.301 21.453 -9.829 130 HB2 LEU 15 HB2 LEU 15 2.199 20.304 -7.252 131 HB3 LEU 15 HB3 LEU 15 1.287 21.810 -7.178 132 HG LEU 15 HG LEU 15 0.099 19.669 -8.826 133 HD11 LEU 15 HD11 LEU 15 -0.839 18.990 -6.349 134 HD12 LEU 15 HD12 LEU 15 0.882 19.230 -6.048 135 HD13 LEU 15 HD13 LEU 15 0.354 18.080 -7.276 136 HD21 LEU 15 HD21 LEU 15 -1.060 21.756 -8.509 137 HD22 LEU 15 HD22 LEU 15 -0.932 21.605 -6.756 138 HD23 LEU 15 HD23 LEU 15 -1.936 20.476 -7.668 139 H LYS 16 H LYS 16 4.479 21.810 -8.399 140 HA LYS 16 HA LYS 16 4.322 24.497 -7.621 141 HB2 LYS 16 HB2 LYS 16 6.510 22.590 -8.251 142 HB3 LYS 16 HB3 LYS 16 6.921 24.300 -8.262 143 HG2 LYS 16 HG2 LYS 16 5.438 23.167 -5.937 144 HG3 LYS 16 HG3 LYS 16 7.175 22.891 -6.086 145 HD2 LYS 16 HD2 LYS 16 7.644 24.978 -5.451 146 HD3 LYS 16 HD3 LYS 16 6.480 25.658 -6.591 147 HE2 LYS 16 HE2 LYS 16 5.862 26.278 -4.343 148 HE3 LYS 16 HE3 LYS 16 4.670 25.151 -4.989 149 HZ1 LYS 16 HZ1 LYS 16 5.136 23.667 -3.415 150 HZ2 LYS 16 HZ2 LYS 16 5.946 24.912 -2.606 151 HZ3 LYS 16 HZ3 LYS 16 6.809 23.845 -3.594 152 H LYS 17 H LYS 17 5.507 23.072 -10.661 153 HA LYS 17 HA LYS 17 5.858 25.640 -11.897 154 HB2 LYS 17 HB2 LYS 17 6.430 24.376 -13.901 155 HB3 LYS 17 HB3 LYS 17 7.267 23.717 -12.501 156 HG2 LYS 17 HG2 LYS 17 6.132 21.757 -12.567 157 HG3 LYS 17 HG3 LYS 17 4.665 22.499 -13.211 158 HD2 LYS 17 HD2 LYS 17 5.394 22.374 -15.385 159 HD3 LYS 17 HD3 LYS 17 7.098 22.421 -14.929 160 HE2 LYS 17 HE2 LYS 17 6.857 20.127 -14.010 161 HE3 LYS 17 HE3 LYS 17 5.203 20.095 -14.620 162 HZ1 LYS 17 HZ1 LYS 17 6.115 19.252 -16.455 163 HZ2 LYS 17 HZ2 LYS 17 7.681 19.729 -16.029 164 HZ3 LYS 17 HZ3 LYS 17 6.641 20.824 -16.791 165 H ILE 18 H ILE 18 3.263 23.429 -11.518 166 HA ILE 18 HA ILE 18 1.764 24.143 -13.829 167 HB ILE 18 HB ILE 18 1.009 22.821 -11.234 168 HG12 ILE 18 HG12 ILE 18 2.345 21.604 -13.003 169 HG13 ILE 18 HG13 ILE 18 0.827 20.837 -12.550 170 HG21 ILE 18 HG21 ILE 18 -1.160 22.319 -12.635 171 HG22 ILE 18 HG22 ILE 18 -1.022 23.785 -11.665 172 HG23 ILE 18 HG23 ILE 18 -0.746 23.850 -13.406 173 HD11 ILE 18 HD11 ILE 18 1.560 21.105 -15.064 174 HD12 ILE 18 HD12 ILE 18 -0.130 21.226 -14.573 175 HD13 ILE 18 HD13 ILE 18 0.812 22.689 -14.864 176 H SER 19 H SER 19 1.352 25.009 -10.391 177 HA SER 19 HA SER 19 -0.648 26.949 -10.878 178 HB2 SER 19 HB2 SER 19 -0.454 25.957 -8.684 179 HB3 SER 19 HB3 SER 19 1.199 26.547 -8.515 180 HG SER 19 HG SER 19 0.026 28.029 -7.456 181 H GLN 20 H GLN 20 2.692 26.991 -11.390 182 HA GLN 20 HA GLN 20 2.935 29.883 -11.118 183 HB2 GLN 20 HB2 GLN 20 4.811 27.612 -11.392 184 HB3 GLN 20 HB3 GLN 20 5.313 29.118 -12.149 185 HG2 GLN 20 HG2 GLN 20 4.517 28.804 -9.263 186 HG3 GLN 20 HG3 GLN 20 6.171 28.874 -9.867 187 HE21 GLN 20 HE21 GLN 20 4.803 30.628 -7.989 188 HE22 GLN 20 HE22 GLN 20 4.891 32.216 -8.662 189 H ARG 21 H ARG 21 3.191 27.391 -13.634 190 HA ARG 21 HA ARG 21 3.553 29.300 -15.741 191 HB2 ARG 21 HB2 ARG 21 2.869 26.356 -15.815 192 HB3 ARG 21 HB3 ARG 21 3.245 27.329 -17.231 193 HG2 ARG 21 HG2 ARG 21 5.244 27.421 -15.079 194 HG3 ARG 21 HG3 ARG 21 5.049 25.858 -15.875 195 HD2 ARG 21 HD2 ARG 21 5.604 26.742 -17.981 196 HD3 ARG 21 HD3 ARG 21 5.377 28.403 -17.434 197 HE ARG 21 HE ARG 21 7.752 26.845 -17.227 198 HH11 ARG 21 HH11 ARG 21 7.274 30.039 -14.861 199 HH12 ARG 21 HH12 ARG 21 5.901 29.337 -15.651 200 HH21 ARG 21 HH21 ARG 21 9.359 29.142 -15.171 201 HH22 ARG 21 HH22 ARG 21 9.568 27.761 -16.193 202 H TYR 22 H TYR 22 0.858 27.268 -14.637 203 HA TYR 22 HA TYR 22 -1.014 27.909 -16.571 204 HB2 TYR 22 HB2 TYR 22 -1.358 26.179 -14.855 205 HB3 TYR 22 HB3 TYR 22 -1.512 27.428 -13.625 206 HD1 TYR 22 HD1 TYR 22 -3.674 27.754 -12.918 207 HD2 TYR 22 HD2 TYR 22 -2.991 26.802 -17.008 208 HE1 TYR 22 HE1 TYR 22 -6.093 27.881 -13.345 209 HE2 TYR 22 HE2 TYR 22 -5.408 26.927 -17.447 210 HH TYR 22 HH TYR 22 -7.409 27.401 -16.608 211 H GLN 23 H GLN 23 -0.264 29.621 -13.557 212 HA GLN 23 HA GLN 23 -2.171 31.717 -14.172 213 HB2 GLN 23 HB2 GLN 23 -1.073 30.709 -11.820 214 HB3 GLN 23 HB3 GLN 23 -0.334 32.295 -11.995 215 HG2 GLN 23 HG2 GLN 23 -2.755 33.104 -12.420 216 HG3 GLN 23 HG3 GLN 23 -3.213 31.580 -11.662 217 HE21 GLN 23 HE21 GLN 23 -1.843 31.164 -9.588 218 HE22 GLN 23 HE22 GLN 23 -1.787 32.493 -8.485 219 H LYS 24 H LYS 24 0.417 31.109 -15.722 220 HA LYS 24 HA LYS 24 1.432 33.876 -15.711 221 HB2 LYS 24 HB2 LYS 24 2.860 31.288 -15.705 222 HB3 LYS 24 HB3 LYS 24 3.485 32.496 -16.821 223 HG2 LYS 24 HG2 LYS 24 2.956 33.228 -13.975 224 HG3 LYS 24 HG3 LYS 24 4.427 32.355 -14.412 225 HD2 LYS 24 HD2 LYS 24 5.344 34.308 -14.953 226 HD3 LYS 24 HD3 LYS 24 4.192 34.421 -16.286 227 HE2 LYS 24 HE2 LYS 24 2.571 35.428 -14.631 228 HE3 LYS 24 HE3 LYS 24 3.919 35.531 -13.500 229 HZ1 LYS 24 HZ1 LYS 24 3.329 37.151 -15.815 230 HZ2 LYS 24 HZ2 LYS 24 4.947 36.671 -15.703 231 HZ3 LYS 24 HZ3 LYS 24 4.229 37.525 -14.432 232 H PHE 25 H PHE 25 -0.242 31.573 -17.421 233 HA PHE 25 HA PHE 25 0.212 33.025 -19.929 234 HB2 PHE 25 HB2 PHE 25 0.695 30.172 -19.414 235 HB3 PHE 25 HB3 PHE 25 -0.304 30.488 -20.829 236 HD1 PHE 25 HD1 PHE 25 3.014 30.645 -19.406 237 HD2 PHE 25 HD2 PHE 25 0.587 31.862 -22.684 238 HE1 PHE 25 HE1 PHE 25 5.037 31.154 -20.711 239 HE2 PHE 25 HE2 PHE 25 2.605 32.372 -23.994 240 HZ PHE 25 HZ PHE 25 4.834 32.017 -23.008 241 H ALA 26 H ALA 26 -1.853 30.915 -18.012 242 HA ALA 26 HA ALA 26 -4.110 31.044 -19.735 243 HB1 ALA 26 HB1 ALA 26 -4.168 30.498 -16.777 244 HB2 ALA 26 HB2 ALA 26 -5.313 29.958 -18.006 245 HB3 ALA 26 HB3 ALA 26 -3.679 29.298 -17.973 246 H LEU 27 H LEU 27 -3.875 32.371 -16.436 247 HA LEU 27 HA LEU 27 -4.875 34.178 -15.471 248 HB2 LEU 27 HB2 LEU 27 -4.225 35.447 -18.127 249 HB3 LEU 27 HB3 LEU 27 -4.548 36.297 -16.617 250 HG LEU 27 HG LEU 27 -2.245 36.407 -16.783 251 HD11 LEU 27 HD11 LEU 27 -3.258 35.074 -14.714 252 HD12 LEU 27 HD12 LEU 27 -1.531 35.379 -14.893 253 HD13 LEU 27 HD13 LEU 27 -2.202 33.815 -15.354 254 HD21 LEU 27 HD21 LEU 27 -0.899 34.999 -17.930 255 HD22 LEU 27 HD22 LEU 27 -2.425 34.510 -18.668 256 HD23 LEU 27 HD23 LEU 27 -1.733 33.555 -17.356 257 HA PRO 28 HA PRO 28 -8.802 33.462 -17.970 258 HB2 PRO 28 HB2 PRO 28 -10.098 32.008 -16.079 259 HB3 PRO 28 HB3 PRO 28 -9.057 31.277 -17.306 260 HG2 PRO 28 HG2 PRO 28 -8.444 31.936 -14.451 261 HG3 PRO 28 HG3 PRO 28 -8.029 30.482 -15.378 262 HD2 PRO 28 HD2 PRO 28 -6.252 32.473 -14.918 263 HD3 PRO 28 HD3 PRO 28 -6.227 31.494 -16.399 264 H GLN 29 H GLN 29 -8.239 34.190 -14.553 265 HA GLN 29 HA GLN 29 -10.404 36.182 -14.700 266 HB2 GLN 29 HB2 GLN 29 -9.977 34.022 -12.800 267 HB3 GLN 29 HB3 GLN 29 -10.085 35.586 -12.003 268 HG2 GLN 29 HG2 GLN 29 -12.264 35.888 -12.573 269 HG3 GLN 29 HG3 GLN 29 -12.123 34.943 -14.055 270 HE21 GLN 29 HE21 GLN 29 -14.171 34.045 -13.278 271 HE22 GLN 29 HE22 GLN 29 -14.126 32.718 -12.173 272 H TYR 30 H TYR 30 -7.133 35.649 -14.315 273 HA TYR 30 HA TYR 30 -6.248 37.358 -12.363 274 HB2 TYR 30 HB2 TYR 30 -4.956 35.890 -14.120 275 HB3 TYR 30 HB3 TYR 30 -4.877 37.398 -15.024 276 HD1 TYR 30 HD1 TYR 30 -3.502 35.483 -12.310 277 HD2 TYR 30 HD2 TYR 30 -3.790 39.404 -13.937 278 HE1 TYR 30 HE1 TYR 30 -1.557 36.174 -10.973 279 HE2 TYR 30 HE2 TYR 30 -1.845 40.105 -12.605 280 HH TYR 30 HH TYR 30 0.120 37.839 -10.885 281 H LEU 31 H LEU 31 -6.633 38.287 -15.788 282 HA LEU 31 HA LEU 31 -6.600 41.092 -15.067 283 HB2 LEU 31 HB2 LEU 31 -6.941 41.378 -17.567 284 HB3 LEU 31 HB3 LEU 31 -5.432 40.636 -17.038 285 HG LEU 31 HG LEU 31 -6.704 39.671 -19.087 286 HD11 LEU 31 HD11 LEU 31 -4.869 38.657 -17.296 287 HD12 LEU 31 HD12 LEU 31 -5.308 37.952 -18.851 288 HD13 LEU 31 HD13 LEU 31 -6.105 37.402 -17.377 289 HD21 LEU 31 HD21 LEU 31 -8.175 38.289 -16.847 290 HD22 LEU 31 HD22 LEU 31 -8.337 37.979 -18.576 291 HD23 LEU 31 HD23 LEU 31 -8.875 39.518 -17.901 292 H LYS 32 H LYS 32 -8.864 39.050 -14.495 293 HA LYS 32 HA LYS 32 -11.070 40.591 -15.683 294 HB2 LYS 32 HB2 LYS 32 -10.892 38.039 -15.974 295 HB3 LYS 32 HB3 LYS 32 -11.356 37.943 -14.280 296 HG2 LYS 32 HG2 LYS 32 -13.481 38.775 -14.681 297 HG3 LYS 32 HG3 LYS 32 -13.014 39.502 -16.220 298 HD2 LYS 32 HD2 LYS 32 -12.788 36.551 -15.954 299 HD3 LYS 32 HD3 LYS 32 -14.406 37.244 -16.089 300 HE2 LYS 32 HE2 LYS 32 -12.603 38.425 -18.009 301 HE3 LYS 32 HE3 LYS 32 -12.632 36.669 -18.166 302 HZ1 LYS 32 HZ1 LYS 32 -14.320 37.660 -19.547 303 HZ2 LYS 32 HZ2 LYS 32 -14.992 38.471 -18.224 304 HZ3 LYS 32 HZ3 LYS 32 -15.059 36.782 -18.304 305 H THR 33 H THR 33 -9.861 39.252 -12.640 306 HA THR 33 HA THR 33 -11.870 40.775 -11.152 307 HB THR 33 HB THR 33 -11.530 38.414 -10.521 308 HG1 THR 33 HG1 THR 33 -11.166 38.889 -8.236 309 HG21 THR 33 HG21 THR 33 -8.930 38.740 -10.997 310 HG22 THR 33 HG22 THR 33 -9.532 37.513 -9.883 311 HG23 THR 33 HG23 THR 33 -8.916 39.044 -9.260 312 H VAL 34 H VAL 34 -8.380 40.488 -11.573 313 HA VAL 34 HA VAL 34 -7.704 42.408 -9.576 314 HB VAL 34 HB VAL 34 -6.038 41.528 -11.937 315 HG11 VAL 34 HG11 VAL 34 -5.278 42.756 -9.288 316 HG12 VAL 34 HG12 VAL 34 -4.143 42.166 -10.504 317 HG13 VAL 34 HG13 VAL 34 -5.194 43.536 -10.868 318 HG21 VAL 34 HG21 VAL 34 -6.987 39.995 -9.766 319 HG22 VAL 34 HG22 VAL 34 -5.791 39.539 -10.979 320 HG23 VAL 34 HG23 VAL 34 -5.274 40.299 -9.474 321 H TYR 35 H TYR 35 -8.521 42.565 -12.961 322 HA TYR 35 HA TYR 35 -7.534 45.208 -13.401 323 HB2 TYR 35 HB2 TYR 35 -8.352 43.198 -15.045 324 HB3 TYR 35 HB3 TYR 35 -9.749 44.267 -15.106 325 HD1 TYR 35 HD1 TYR 35 -9.698 46.263 -16.367 326 HD2 TYR 35 HD2 TYR 35 -6.093 44.110 -15.682 327 HE1 TYR 35 HE1 TYR 35 -8.543 47.687 -18.006 328 HE2 TYR 35 HE2 TYR 35 -4.928 45.529 -17.318 329 HH TYR 35 HH TYR 35 -6.587 48.218 -18.929 330 H GLN 36 H GLN 36 -10.377 43.893 -11.990 331 HA GLN 36 HA GLN 36 -11.793 46.452 -12.202 332 HB2 GLN 36 HB2 GLN 36 -12.753 43.960 -12.563 333 HB3 GLN 36 HB3 GLN 36 -13.069 44.149 -10.843 334 HG2 GLN 36 HG2 GLN 36 -14.957 45.151 -11.429 335 HG3 GLN 36 HG3 GLN 36 -13.963 46.521 -11.923 336 HE21 GLN 36 HE21 GLN 36 -16.434 44.749 -12.896 337 HE22 GLN 36 HE22 GLN 36 -16.207 44.769 -14.608 338 H HIS 37 H HIS 37 -10.474 44.177 -9.859 339 HA HIS 37 HA HIS 37 -11.361 45.707 -7.587 340 HB2 HIS 37 HB2 HIS 37 -9.682 43.255 -7.974 341 HB3 HIS 37 HB3 HIS 37 -9.660 44.087 -6.422 342 HD1 HIS 37 HD1 HIS 37 -11.583 43.661 -4.864 343 HD2 HIS 37 HD2 HIS 37 -12.278 42.216 -8.697 344 HE1 HIS 37 HE1 HIS 37 -13.703 42.318 -4.702 345 H GLN 38 H GLN 38 -8.081 44.782 -8.650 346 HA GLN 38 HA GLN 38 -6.707 46.633 -7.101 347 HB2 GLN 38 HB2 GLN 38 -6.051 44.702 -9.020 348 HB3 GLN 38 HB3 GLN 38 -5.381 46.207 -9.637 349 HG2 GLN 38 HG2 GLN 38 -4.908 45.491 -6.790 350 HG3 GLN 38 HG3 GLN 38 -4.000 44.651 -8.045 351 HE21 GLN 38 HE21 GLN 38 -2.695 45.916 -9.476 352 HE22 GLN 38 HE22 GLN 38 -2.053 47.432 -8.953 353 H LYS 39 H LYS 39 -6.166 48.737 -7.309 354 HA LYS 39 HA LYS 39 -7.530 50.259 -9.377 355 HB2 LYS 39 HB2 LYS 39 -6.268 50.882 -6.753 356 HB3 LYS 39 HB3 LYS 39 -6.346 52.171 -7.946 357 HG2 LYS 39 HG2 LYS 39 -8.684 52.164 -7.971 358 HG3 LYS 39 HG3 LYS 39 -8.774 50.585 -7.185 359 HD2 LYS 39 HD2 LYS 39 -7.583 51.767 -5.214 360 HD3 LYS 39 HD3 LYS 39 -8.116 53.256 -5.996 361 HE2 LYS 39 HE2 LYS 39 -10.347 51.560 -5.968 362 HE3 LYS 39 HE3 LYS 39 -9.607 51.403 -4.376 363 HZ1 LYS 39 HZ1 LYS 39 -11.248 53.198 -4.476 364 HZ2 LYS 39 HZ2 LYS 39 -10.334 53.978 -5.665 365 HZ3 LYS 39 HZ3 LYS 39 -9.704 53.782 -4.107 Start of MODEL 19 1 H1 LYS 1 H LYS 1 9.733 -2.043 0.070 2 HA LYS 1 HA LYS 1 7.589 -0.479 1.017 3 HB2 LYS 1 HB2 LYS 1 10.146 0.684 1.428 4 HB3 LYS 1 HB3 LYS 1 9.375 1.570 0.119 5 HG2 LYS 1 HG2 LYS 1 7.692 1.032 2.477 6 HG3 LYS 1 HG3 LYS 1 9.037 2.150 2.715 7 HD2 LYS 1 HD2 LYS 1 8.106 3.161 0.447 8 HD3 LYS 1 HD3 LYS 1 6.610 2.420 1.020 9 HE2 LYS 1 HE2 LYS 1 8.308 4.309 2.644 10 HE3 LYS 1 HE3 LYS 1 6.899 4.798 1.704 11 HZ1 LYS 1 HZ1 LYS 1 6.487 2.601 3.558 12 HZ2 LYS 1 HZ2 LYS 1 5.487 3.916 3.197 13 HZ3 LYS 1 HZ3 LYS 1 6.784 4.108 4.266 14 H THR 2 H THR 2 6.667 0.906 -0.673 15 HA THR 2 HA THR 2 7.173 -0.248 -3.303 16 HB THR 2 HB THR 2 5.087 1.379 -3.764 17 HG1 THR 2 HG1 THR 2 4.682 2.226 -1.814 18 HG21 THR 2 HG21 THR 2 5.460 -1.296 -3.618 19 HG22 THR 2 HG22 THR 2 3.900 -0.539 -3.942 20 HG23 THR 2 HG23 THR 2 4.304 -1.063 -2.307 21 H LYS 3 H LYS 3 6.721 1.424 -5.164 22 HA LYS 3 HA LYS 3 8.690 3.555 -4.802 23 HB2 LYS 3 HB2 LYS 3 8.699 3.683 -7.258 24 HB3 LYS 3 HB3 LYS 3 9.037 2.053 -6.689 25 HG2 LYS 3 HG2 LYS 3 6.692 1.442 -7.134 26 HG3 LYS 3 HG3 LYS 3 6.417 3.061 -7.780 27 HD2 LYS 3 HD2 LYS 3 8.548 2.385 -9.241 28 HD3 LYS 3 HD3 LYS 3 7.900 0.771 -8.940 29 HE2 LYS 3 HE2 LYS 3 5.661 1.703 -9.716 30 HE3 LYS 3 HE3 LYS 3 6.568 3.096 -10.304 31 HZ1 LYS 3 HZ1 LYS 3 7.031 1.955 -12.126 32 HZ2 LYS 3 HZ2 LYS 3 6.214 0.597 -11.534 33 HZ3 LYS 3 HZ3 LYS 3 7.862 0.799 -11.211 34 H LEU 4 H LEU 4 6.025 3.812 -3.686 35 HA LEU 4 HA LEU 4 4.642 5.706 -5.392 36 HB2 LEU 4 HB2 LEU 4 3.893 3.983 -3.327 37 HB3 LEU 4 HB3 LEU 4 3.690 5.605 -2.669 38 HG LEU 4 HG LEU 4 1.616 4.719 -3.637 39 HD11 LEU 4 HD11 LEU 4 1.396 6.957 -3.747 40 HD12 LEU 4 HD12 LEU 4 1.524 6.679 -5.483 41 HD13 LEU 4 HD13 LEU 4 2.943 7.179 -4.564 42 HD21 LEU 4 HD21 LEU 4 1.377 4.255 -5.948 43 HD22 LEU 4 HD22 LEU 4 2.797 3.363 -5.403 44 HD23 LEU 4 HD23 LEU 4 2.992 4.864 -6.310 45 H THR 5 H THR 5 6.575 5.713 -2.448 46 HA THR 5 HA THR 5 6.178 8.293 -1.553 47 HB THR 5 HB THR 5 8.895 6.985 -1.567 48 HG1 THR 5 HG1 THR 5 7.935 5.404 -0.536 49 HG21 THR 5 HG21 THR 5 8.901 9.220 -0.682 50 HG22 THR 5 HG22 THR 5 9.034 8.091 0.667 51 HG23 THR 5 HG23 THR 5 7.493 8.875 0.321 52 H GLU 6 H GLU 6 8.834 7.241 -3.699 53 HA GLU 6 HA GLU 6 9.886 9.719 -4.287 54 HB2 GLU 6 HB2 GLU 6 10.633 8.673 -6.456 55 HB3 GLU 6 HB3 GLU 6 11.057 7.776 -5.004 56 HG2 GLU 6 HG2 GLU 6 9.028 6.358 -5.408 57 HG3 GLU 6 HG3 GLU 6 8.870 7.160 -6.970 58 H GLU 7 H GLU 7 7.316 7.994 -6.040 59 HA GLU 7 HA GLU 7 6.867 9.859 -8.048 60 HB2 GLU 7 HB2 GLU 7 5.734 7.470 -7.307 61 HB3 GLU 7 HB3 GLU 7 4.426 8.606 -7.011 62 HG2 GLU 7 HG2 GLU 7 4.943 9.468 -9.386 63 HG3 GLU 7 HG3 GLU 7 5.793 7.936 -9.581 64 H GLU 8 H GLU 8 5.577 9.725 -4.762 65 HA GLU 8 HA GLU 8 3.641 11.673 -4.862 66 HB2 GLU 8 HB2 GLU 8 4.273 10.250 -2.879 67 HB3 GLU 8 HB3 GLU 8 5.604 11.362 -2.588 68 HG2 GLU 8 HG2 GLU 8 3.970 12.129 -1.154 69 HG3 GLU 8 HG3 GLU 8 3.786 13.184 -2.554 70 H LYS 9 H LYS 9 7.095 12.173 -4.142 71 HA LYS 9 HA LYS 9 7.020 14.952 -3.924 72 HB2 LYS 9 HB2 LYS 9 8.994 13.959 -3.174 73 HB3 LYS 9 HB3 LYS 9 9.175 12.989 -4.630 74 HG2 LYS 9 HG2 LYS 9 10.273 14.610 -5.732 75 HG3 LYS 9 HG3 LYS 9 9.287 15.898 -5.036 76 HD2 LYS 9 HD2 LYS 9 10.670 15.002 -2.857 77 HD3 LYS 9 HD3 LYS 9 11.854 14.798 -4.150 78 HE2 LYS 9 HE2 LYS 9 12.245 16.967 -3.423 79 HE3 LYS 9 HE3 LYS 9 11.194 17.203 -4.819 80 HZ1 LYS 9 HZ1 LYS 9 10.685 17.715 -2.014 81 HZ2 LYS 9 HZ2 LYS 9 9.404 16.996 -2.852 82 HZ3 LYS 9 HZ3 LYS 9 10.044 18.468 -3.387 83 H ASN 10 H ASN 10 7.603 12.908 -6.766 84 HA ASN 10 HA ASN 10 8.211 14.857 -8.628 85 HB2 ASN 10 HB2 ASN 10 6.794 12.213 -8.868 86 HB3 ASN 10 HB3 ASN 10 7.058 13.233 -10.279 87 HD21 ASN 10 HD21 ASN 10 8.607 11.392 -7.747 88 HD22 ASN 10 HD22 ASN 10 10.137 11.230 -8.534 89 H ARG 11 H ARG 11 5.086 13.903 -7.345 90 HA ARG 11 HA ARG 11 3.530 15.379 -9.221 91 HB2 ARG 11 HB2 ARG 11 2.866 14.301 -6.477 92 HB3 ARG 11 HB3 ARG 11 1.690 15.043 -7.555 93 HG2 ARG 11 HG2 ARG 11 1.499 13.202 -8.808 94 HG3 ARG 11 HG3 ARG 11 3.236 12.889 -8.786 95 HD2 ARG 11 HD2 ARG 11 1.675 11.198 -7.639 96 HD3 ARG 11 HD3 ARG 11 3.124 11.717 -6.779 97 HE ARG 11 HE ARG 11 1.795 12.765 -5.220 98 HH11 ARG 11 HH11 ARG 11 -1.640 12.156 -7.184 99 HH12 ARG 11 HH12 ARG 11 -0.129 11.813 -7.961 100 HH21 ARG 11 HH21 ARG 11 -1.671 12.957 -5.038 101 HH22 ARG 11 HH22 ARG 11 -0.187 13.220 -4.187 102 H LEU 12 H LEU 12 4.575 16.004 -5.882 103 HA LEU 12 HA LEU 12 3.329 18.401 -5.402 104 HB2 LEU 12 HB2 LEU 12 6.192 17.921 -4.634 105 HB3 LEU 12 HB3 LEU 12 4.963 18.833 -3.760 106 HG LEU 12 HG LEU 12 5.243 15.847 -3.996 107 HD11 LEU 12 HD11 LEU 12 5.275 17.806 -1.713 108 HD12 LEU 12 HD12 LEU 12 6.581 16.754 -2.258 109 HD13 LEU 12 HD13 LEU 12 5.149 16.060 -1.497 110 HD21 LEU 12 HD21 LEU 12 3.129 16.120 -2.381 111 HD22 LEU 12 HD22 LEU 12 2.982 15.869 -4.121 112 HD23 LEU 12 HD23 LEU 12 2.849 17.495 -3.450 113 H ASN 13 H ASN 13 6.561 17.990 -6.855 114 HA ASN 13 HA ASN 13 7.092 20.664 -7.375 115 HB2 ASN 13 HB2 ASN 13 7.923 18.357 -9.144 116 HB3 ASN 13 HB3 ASN 13 8.747 19.901 -8.947 117 HD21 ASN 13 HD21 ASN 13 8.851 16.750 -8.131 118 HD22 ASN 13 HD22 ASN 13 9.751 16.849 -6.660 119 H PHE 14 H PHE 14 5.042 18.414 -9.070 120 HA PHE 14 HA PHE 14 4.804 19.852 -11.496 121 HB2 PHE 14 HB2 PHE 14 4.106 17.404 -10.896 122 HB3 PHE 14 HB3 PHE 14 2.584 18.148 -10.418 123 HD1 PHE 14 HD1 PHE 14 4.953 18.537 -13.279 124 HD2 PHE 14 HD2 PHE 14 0.942 17.928 -11.992 125 HE1 PHE 14 HE1 PHE 14 4.208 18.509 -15.624 126 HE2 PHE 14 HE2 PHE 14 0.191 17.898 -14.335 127 HZ PHE 14 HZ PHE 14 1.825 18.188 -16.154 128 H LEU 15 H LEU 15 2.278 19.432 -9.016 129 HA LEU 15 HA LEU 15 0.588 21.436 -9.830 130 HB2 LEU 15 HB2 LEU 15 1.151 20.146 -7.215 131 HB3 LEU 15 HB3 LEU 15 0.153 21.598 -7.216 132 HG LEU 15 HG LEU 15 -0.634 19.484 -9.123 133 HD11 LEU 15 HD11 LEU 15 0.084 18.517 -6.737 134 HD12 LEU 15 HD12 LEU 15 -1.284 17.890 -7.656 135 HD13 LEU 15 HD13 LEU 15 -1.554 19.043 -6.349 136 HD21 LEU 15 HD21 LEU 15 -2.411 20.804 -7.130 137 HD22 LEU 15 HD22 LEU 15 -2.737 20.335 -8.798 138 HD23 LEU 15 HD23 LEU 15 -1.759 21.763 -8.458 139 H LYS 16 H LYS 16 3.451 21.702 -7.790 140 HA LYS 16 HA LYS 16 3.152 24.329 -6.917 141 HB2 LYS 16 HB2 LYS 16 5.528 22.572 -7.419 142 HB3 LYS 16 HB3 LYS 16 5.769 24.261 -6.993 143 HG2 LYS 16 HG2 LYS 16 3.982 22.576 -5.306 144 HG3 LYS 16 HG3 LYS 16 5.733 22.417 -5.150 145 HD2 LYS 16 HD2 LYS 16 5.969 24.467 -4.211 146 HD3 LYS 16 HD3 LYS 16 4.662 25.172 -5.164 147 HE2 LYS 16 HE2 LYS 16 3.284 24.970 -3.436 148 HE3 LYS 16 HE3 LYS 16 3.540 23.225 -3.426 149 HZ1 LYS 16 HZ1 LYS 16 5.066 25.284 -1.938 150 HZ2 LYS 16 HZ2 LYS 16 5.592 23.684 -2.093 151 HZ3 LYS 16 HZ3 LYS 16 4.136 24.022 -1.302 152 H LYS 17 H LYS 17 4.831 23.121 -9.814 153 HA LYS 17 HA LYS 17 5.359 25.763 -10.799 154 HB2 LYS 17 HB2 LYS 17 5.991 23.016 -11.575 155 HB3 LYS 17 HB3 LYS 17 5.658 24.058 -12.952 156 HG2 LYS 17 HG2 LYS 17 7.323 25.597 -11.393 157 HG3 LYS 17 HG3 LYS 17 7.969 23.967 -11.195 158 HD2 LYS 17 HD2 LYS 17 9.052 24.385 -13.116 159 HD3 LYS 17 HD3 LYS 17 7.495 24.056 -13.880 160 HE2 LYS 17 HE2 LYS 17 7.027 26.301 -14.189 161 HE3 LYS 17 HE3 LYS 17 8.125 26.811 -12.908 162 HZ1 LYS 17 HZ1 LYS 17 9.930 25.875 -14.460 163 HZ2 LYS 17 HZ2 LYS 17 9.252 27.382 -14.823 164 HZ3 LYS 17 HZ3 LYS 17 8.756 26.004 -15.671 165 H ILE 18 H ILE 18 2.716 23.603 -10.938 166 HA ILE 18 HA ILE 18 1.600 24.511 -13.410 167 HB ILE 18 HB ILE 18 0.475 22.934 -11.109 168 HG12 ILE 18 HG12 ILE 18 2.083 21.913 -12.785 169 HG13 ILE 18 HG13 ILE 18 0.534 21.094 -12.620 170 HG21 ILE 18 HG21 ILE 18 -1.486 23.921 -11.736 171 HG22 ILE 18 HG22 ILE 18 -0.944 24.205 -13.389 172 HG23 ILE 18 HG23 ILE 18 -1.443 22.589 -12.890 173 HD11 ILE 18 HD11 ILE 18 1.069 23.114 -14.772 174 HD12 ILE 18 HD12 ILE 18 1.412 21.394 -14.963 175 HD13 ILE 18 HD13 ILE 18 -0.241 21.937 -14.673 176 H SER 19 H SER 19 0.837 25.135 -9.989 177 HA SER 19 HA SER 19 -1.204 27.023 -10.513 178 HB2 SER 19 HB2 SER 19 0.041 25.858 -8.210 179 HB3 SER 19 HB3 SER 19 -0.025 27.607 -7.997 180 HG SER 19 HG SER 19 -2.069 27.395 -7.622 181 H GLN 20 H GLN 20 2.202 27.218 -10.646 182 HA GLN 20 HA GLN 20 2.231 30.122 -10.355 183 HB2 GLN 20 HB2 GLN 20 4.369 28.023 -10.580 184 HB3 GLN 20 HB3 GLN 20 4.748 29.724 -10.818 185 HG2 GLN 20 HG2 GLN 20 3.373 28.710 -8.351 186 HG3 GLN 20 HG3 GLN 20 5.128 28.775 -8.505 187 HE21 GLN 20 HE21 GLN 20 2.198 30.624 -8.246 188 HE22 GLN 20 HE22 GLN 20 2.946 32.140 -7.888 189 H ARG 21 H ARG 21 2.924 27.632 -12.778 190 HA ARG 21 HA ARG 21 3.598 29.494 -14.833 191 HB2 ARG 21 HB2 ARG 21 4.486 27.273 -14.979 192 HB3 ARG 21 HB3 ARG 21 2.878 26.564 -14.897 193 HG2 ARG 21 HG2 ARG 21 2.379 27.105 -17.081 194 HG3 ARG 21 HG3 ARG 21 3.567 28.409 -17.137 195 HD2 ARG 21 HD2 ARG 21 5.162 27.036 -17.870 196 HD3 ARG 21 HD3 ARG 21 4.813 25.853 -16.610 197 HE ARG 21 HE ARG 21 2.808 25.652 -18.530 198 HH11 ARG 21 HH11 ARG 21 6.281 23.901 -19.479 199 HH12 ARG 21 HH12 ARG 21 6.242 25.143 -18.272 200 HH21 ARG 21 HH21 ARG 21 4.349 23.263 -20.531 201 HH22 ARG 21 HH22 ARG 21 2.846 24.018 -20.122 202 H TYR 22 H TYR 22 0.690 27.628 -14.038 203 HA TYR 22 HA TYR 22 -0.872 28.309 -16.235 204 HB2 TYR 22 HB2 TYR 22 -1.485 26.599 -14.551 205 HB3 TYR 22 HB3 TYR 22 -1.814 27.882 -13.391 206 HD1 TYR 22 HD1 TYR 22 -3.685 29.503 -13.875 207 HD2 TYR 22 HD2 TYR 22 -3.110 25.940 -16.128 208 HE1 TYR 22 HE1 TYR 22 -5.999 29.655 -14.693 209 HE2 TYR 22 HE2 TYR 22 -5.423 26.082 -16.953 210 HH TYR 22 HH TYR 22 -7.146 28.297 -17.230 211 H GLN 23 H GLN 23 -0.554 29.971 -13.110 212 HA GLN 23 HA GLN 23 -2.219 32.162 -14.031 213 HB2 GLN 23 HB2 GLN 23 -1.640 31.072 -11.533 214 HB3 GLN 23 HB3 GLN 23 -0.817 32.625 -11.529 215 HG2 GLN 23 HG2 GLN 23 -3.079 33.541 -12.401 216 HG3 GLN 23 HG3 GLN 23 -3.732 32.032 -11.764 217 HE21 GLN 23 HE21 GLN 23 -4.931 33.074 -10.189 218 HE22 GLN 23 HE22 GLN 23 -4.205 33.803 -8.801 219 H LYS 24 H LYS 24 0.207 31.717 -15.481 220 HA LYS 24 HA LYS 24 1.555 34.277 -14.942 221 HB2 LYS 24 HB2 LYS 24 2.713 31.580 -15.171 222 HB3 LYS 24 HB3 LYS 24 3.521 32.806 -16.138 223 HG2 LYS 24 HG2 LYS 24 2.938 33.566 -13.356 224 HG3 LYS 24 HG3 LYS 24 4.119 32.272 -13.570 225 HD2 LYS 24 HD2 LYS 24 4.413 34.648 -15.311 226 HD3 LYS 24 HD3 LYS 24 4.774 34.869 -13.598 227 HE2 LYS 24 HE2 LYS 24 5.915 32.487 -14.949 228 HE3 LYS 24 HE3 LYS 24 6.605 34.059 -15.350 229 HZ1 LYS 24 HZ1 LYS 24 7.823 33.813 -13.526 230 HZ2 LYS 24 HZ2 LYS 24 6.911 32.498 -12.978 231 HZ3 LYS 24 HZ3 LYS 24 6.413 34.076 -12.627 232 H PHE 25 H PHE 25 0.585 31.845 -17.287 233 HA PHE 25 HA PHE 25 0.977 33.833 -19.426 234 HB2 PHE 25 HB2 PHE 25 1.766 31.069 -19.245 235 HB3 PHE 25 HB3 PHE 25 0.654 31.286 -20.592 236 HD1 PHE 25 HD1 PHE 25 1.865 31.308 -22.544 237 HD2 PHE 25 HD2 PHE 25 3.324 33.473 -19.183 238 HE1 PHE 25 HE1 PHE 25 3.703 32.195 -23.918 239 HE2 PHE 25 HE2 PHE 25 5.164 34.365 -20.551 240 HZ PHE 25 HZ PHE 25 5.355 33.727 -22.922 241 H ALA 26 H ALA 26 -1.223 31.680 -17.842 242 HA ALA 26 HA ALA 26 -3.266 31.808 -19.858 243 HB1 ALA 26 HB1 ALA 26 -2.888 29.963 -18.104 244 HB2 ALA 26 HB2 ALA 26 -3.756 31.036 -17.006 245 HB3 ALA 26 HB3 ALA 26 -4.544 30.448 -18.470 246 H LEU 27 H LEU 27 -3.418 32.845 -16.451 247 HA LEU 27 HA LEU 27 -4.579 34.529 -15.446 248 HB2 LEU 27 HB2 LEU 27 -3.730 36.050 -17.905 249 HB3 LEU 27 HB3 LEU 27 -4.217 36.747 -16.361 250 HG LEU 27 HG LEU 27 -1.910 36.935 -16.314 251 HD11 LEU 27 HD11 LEU 27 -1.895 34.242 -15.095 252 HD12 LEU 27 HD12 LEU 27 -3.069 35.397 -14.465 253 HD13 LEU 27 HD13 LEU 27 -1.349 35.788 -14.446 254 HD21 LEU 27 HD21 LEU 27 -0.435 35.680 -17.467 255 HD22 LEU 27 HD22 LEU 27 -1.876 35.161 -18.343 256 HD23 LEU 27 HD23 LEU 27 -1.227 34.162 -17.041 257 HA PRO 28 HA PRO 28 -8.214 33.908 -18.370 258 HB2 PRO 28 HB2 PRO 28 -9.640 32.287 -16.725 259 HB3 PRO 28 HB3 PRO 28 -8.460 31.675 -17.889 260 HG2 PRO 28 HG2 PRO 28 -8.154 32.140 -14.948 261 HG3 PRO 28 HG3 PRO 28 -7.601 30.769 -15.927 262 HD2 PRO 28 HD2 PRO 28 -5.946 32.767 -15.153 263 HD3 PRO 28 HD3 PRO 28 -5.742 31.900 -16.688 264 H GLN 29 H GLN 29 -8.020 34.394 -14.869 265 HA GLN 29 HA GLN 29 -10.217 36.343 -15.097 266 HB2 GLN 29 HB2 GLN 29 -9.990 34.030 -13.388 267 HB3 GLN 29 HB3 GLN 29 -10.100 35.494 -12.420 268 HG2 GLN 29 HG2 GLN 29 -12.132 36.120 -13.700 269 HG3 GLN 29 HG3 GLN 29 -12.046 34.558 -14.514 270 HE21 GLN 29 HE21 GLN 29 -13.664 33.392 -13.748 271 HE22 GLN 29 HE22 GLN 29 -14.033 33.151 -12.077 272 H TYR 30 H TYR 30 -6.992 35.851 -14.407 273 HA TYR 30 HA TYR 30 -6.364 37.418 -12.247 274 HB2 TYR 30 HB2 TYR 30 -4.860 36.125 -13.983 275 HB3 TYR 30 HB3 TYR 30 -4.721 37.714 -14.729 276 HD1 TYR 30 HD1 TYR 30 -2.804 38.852 -14.173 277 HD2 TYR 30 HD2 TYR 30 -4.600 36.338 -11.248 278 HE1 TYR 30 HE1 TYR 30 -1.029 39.450 -12.578 279 HE2 TYR 30 HE2 TYR 30 -2.831 36.929 -9.644 280 HH TYR 30 HH TYR 30 -0.673 37.817 -9.529 281 H LEU 31 H LEU 31 -6.431 38.607 -15.612 282 HA LEU 31 HA LEU 31 -6.547 41.346 -14.680 283 HB2 LEU 31 HB2 LEU 31 -6.650 41.821 -17.171 284 HB3 LEU 31 HB3 LEU 31 -5.181 41.069 -16.554 285 HG LEU 31 HG LEU 31 -6.221 40.245 -18.787 286 HD11 LEU 31 HD11 LEU 31 -4.809 38.541 -18.547 287 HD12 LEU 31 HD12 LEU 31 -5.729 37.860 -17.206 288 HD13 LEU 31 HD13 LEU 31 -4.542 39.129 -16.905 289 HD21 LEU 31 HD21 LEU 31 -7.864 38.662 -16.815 290 HD22 LEU 31 HD22 LEU 31 -7.849 38.485 -18.570 291 HD23 LEU 31 HD23 LEU 31 -8.492 39.956 -17.837 292 H LYS 32 H LYS 32 -8.799 39.219 -14.495 293 HA LYS 32 HA LYS 32 -10.921 40.805 -15.773 294 HB2 LYS 32 HB2 LYS 32 -10.645 38.290 -16.245 295 HB3 LYS 32 HB3 LYS 32 -11.266 38.047 -14.618 296 HG2 LYS 32 HG2 LYS 32 -13.373 38.609 -15.191 297 HG3 LYS 32 HG3 LYS 32 -12.849 39.827 -16.356 298 HD2 LYS 32 HD2 LYS 32 -13.552 38.318 -17.875 299 HD3 LYS 32 HD3 LYS 32 -11.986 37.564 -17.568 300 HE2 LYS 32 HE2 LYS 32 -13.335 36.396 -15.618 301 HE3 LYS 32 HE3 LYS 32 -14.705 36.751 -16.670 302 HZ1 LYS 32 HZ1 LYS 32 -12.342 35.069 -17.252 303 HZ2 LYS 32 HZ2 LYS 32 -13.352 35.647 -18.479 304 HZ3 LYS 32 HZ3 LYS 32 -13.976 34.629 -17.281 305 H THR 33 H THR 33 -9.978 39.250 -12.739 306 HA THR 33 HA THR 33 -12.165 40.606 -11.344 307 HB THR 33 HB THR 33 -11.824 38.213 -10.864 308 HG1 THR 33 HG1 THR 33 -11.430 38.649 -8.450 309 HG21 THR 33 HG21 THR 33 -9.355 38.780 -9.316 310 HG22 THR 33 HG22 THR 33 -9.199 38.625 -11.066 311 HG23 THR 33 HG23 THR 33 -9.872 37.298 -10.119 312 H VAL 34 H VAL 34 -8.643 40.427 -11.435 313 HA VAL 34 HA VAL 34 -8.222 42.196 -9.238 314 HB VAL 34 HB VAL 34 -6.308 41.543 -11.481 315 HG11 VAL 34 HG11 VAL 34 -5.865 42.593 -8.689 316 HG12 VAL 34 HG12 VAL 34 -4.585 42.088 -9.795 317 HG13 VAL 34 HG13 VAL 34 -5.609 43.467 -10.199 318 HG21 VAL 34 HG21 VAL 34 -6.097 39.491 -10.662 319 HG22 VAL 34 HG22 VAL 34 -5.754 40.137 -9.058 320 HG23 VAL 34 HG23 VAL 34 -7.420 39.820 -9.542 321 H TYR 35 H TYR 35 -8.704 42.605 -12.667 322 HA TYR 35 HA TYR 35 -7.757 45.295 -12.799 323 HB2 TYR 35 HB2 TYR 35 -8.352 43.406 -14.667 324 HB3 TYR 35 HB3 TYR 35 -9.766 44.447 -14.785 325 HD1 TYR 35 HD1 TYR 35 -9.649 46.528 -15.891 326 HD2 TYR 35 HD2 TYR 35 -6.064 44.421 -14.988 327 HE1 TYR 35 HE1 TYR 35 -8.378 48.102 -17.291 328 HE2 TYR 35 HE2 TYR 35 -4.784 45.989 -16.384 329 HH TYR 35 HH TYR 35 -4.925 48.164 -17.315 330 H GLN 36 H GLN 36 -10.687 43.811 -11.789 331 HA GLN 36 HA GLN 36 -12.148 46.348 -11.942 332 HB2 GLN 36 HB2 GLN 36 -12.995 43.873 -12.589 333 HB3 GLN 36 HB3 GLN 36 -13.484 43.918 -10.900 334 HG2 GLN 36 HG2 GLN 36 -15.261 45.123 -11.412 335 HG3 GLN 36 HG3 GLN 36 -14.245 46.365 -12.143 336 HE21 GLN 36 HE21 GLN 36 -13.358 45.609 -14.370 337 HE22 GLN 36 HE22 GLN 36 -14.550 44.967 -15.444 338 H HIS 37 H HIS 37 -10.999 43.924 -9.662 339 HA HIS 37 HA HIS 37 -12.148 45.250 -7.379 340 HB2 HIS 37 HB2 HIS 37 -10.369 42.872 -7.782 341 HB3 HIS 37 HB3 HIS 37 -10.526 43.579 -6.176 342 HD1 HIS 37 HD1 HIS 37 -12.585 42.992 -4.861 343 HD2 HIS 37 HD2 HIS 37 -12.845 41.835 -8.843 344 HE1 HIS 37 HE1 HIS 37 -14.669 41.594 -5.020 345 H GLN 38 H GLN 38 -8.755 44.478 -8.172 346 HA GLN 38 HA GLN 38 -7.592 46.228 -6.357 347 HB2 GLN 38 HB2 GLN 38 -6.697 44.472 -8.345 348 HB3 GLN 38 HB3 GLN 38 -6.015 46.034 -8.775 349 HG2 GLN 38 HG2 GLN 38 -5.798 45.105 -5.959 350 HG3 GLN 38 HG3 GLN 38 -4.748 44.388 -7.180 351 HE21 GLN 38 HE21 GLN 38 -3.343 45.785 -8.367 352 HE22 GLN 38 HE22 GLN 38 -2.803 47.271 -7.671 353 H LYS 39 H LYS 39 -6.717 48.304 -6.530 354 HA LYS 39 HA LYS 39 -6.769 50.514 -7.073 355 HB2 LYS 39 HB2 LYS 39 -6.271 49.050 -9.540 356 HB3 LYS 39 HB3 LYS 39 -7.045 50.601 -9.838 357 HG2 LYS 39 HG2 LYS 39 -5.213 51.520 -8.239 358 HG3 LYS 39 HG3 LYS 39 -4.380 50.015 -8.632 359 HD2 LYS 39 HD2 LYS 39 -5.133 50.843 -11.100 360 HD3 LYS 39 HD3 LYS 39 -4.887 52.393 -10.292 361 HE2 LYS 39 HE2 LYS 39 -2.779 51.965 -11.114 362 HE3 LYS 39 HE3 LYS 39 -2.661 51.295 -9.487 363 HZ1 LYS 39 HZ1 LYS 39 -1.799 49.611 -10.758 364 HZ2 LYS 39 HZ2 LYS 39 -2.838 49.891 -12.063 365 HZ3 LYS 39 HZ3 LYS 39 -3.418 49.130 -10.668 Start of MODEL 20 1 H1 LYS 1 H LYS 1 8.019 2.176 3.483 2 HA LYS 1 HA LYS 1 6.342 0.973 2.414 3 HB2 LYS 1 HB2 LYS 1 4.181 1.404 3.552 4 HB3 LYS 1 HB3 LYS 1 5.536 1.308 4.669 5 HG2 LYS 1 HG2 LYS 1 4.742 3.199 5.531 6 HG3 LYS 1 HG3 LYS 1 5.422 3.987 4.106 7 HD2 LYS 1 HD2 LYS 1 3.375 4.153 3.058 8 HD3 LYS 1 HD3 LYS 1 2.690 2.793 3.950 9 HE2 LYS 1 HE2 LYS 1 1.677 4.843 4.714 10 HE3 LYS 1 HE3 LYS 1 2.693 4.181 5.994 11 HZ1 LYS 1 HZ1 LYS 1 3.621 6.182 6.077 12 HZ2 LYS 1 HZ2 LYS 1 2.895 6.683 4.634 13 HZ3 LYS 1 HZ3 LYS 1 4.356 5.831 4.594 14 H THR 2 H THR 2 4.964 0.890 0.696 15 HA THR 2 HA THR 2 3.876 1.556 -1.190 16 HB THR 2 HB THR 2 3.270 4.289 -0.276 17 HG1 THR 2 HG1 THR 2 2.484 1.998 1.225 18 HG21 THR 2 HG21 THR 2 1.526 3.926 -1.614 19 HG22 THR 2 HG22 THR 2 1.011 2.558 -0.627 20 HG23 THR 2 HG23 THR 2 2.155 2.313 -1.946 21 H LYS 3 H LYS 3 3.841 3.317 -2.922 22 HA LYS 3 HA LYS 3 6.471 4.644 -3.023 23 HB2 LYS 3 HB2 LYS 3 6.359 4.288 -5.508 24 HB3 LYS 3 HB3 LYS 3 6.539 2.817 -4.561 25 HG2 LYS 3 HG2 LYS 3 4.235 2.260 -4.861 26 HG3 LYS 3 HG3 LYS 3 3.905 3.821 -5.615 27 HD2 LYS 3 HD2 LYS 3 4.357 2.917 -7.594 28 HD3 LYS 3 HD3 LYS 3 6.021 2.658 -7.065 29 HE2 LYS 3 HE2 LYS 3 5.225 0.511 -6.010 30 HE3 LYS 3 HE3 LYS 3 3.693 0.760 -6.847 31 HZ1 LYS 3 HZ1 LYS 3 4.736 0.560 -8.928 32 HZ2 LYS 3 HZ2 LYS 3 5.363 -0.704 -7.996 33 HZ3 LYS 3 HZ3 LYS 3 6.290 0.685 -8.270 34 H LEU 4 H LEU 4 3.834 5.671 -2.157 35 HA LEU 4 HA LEU 4 2.964 7.455 -4.249 36 HB2 LEU 4 HB2 LEU 4 1.817 6.418 -1.964 37 HB3 LEU 4 HB3 LEU 4 2.096 8.108 -1.548 38 HG LEU 4 HG LEU 4 0.862 8.671 -3.709 39 HD11 LEU 4 HD11 LEU 4 1.069 6.134 -4.369 40 HD12 LEU 4 HD12 LEU 4 -0.336 7.088 -4.842 41 HD13 LEU 4 HD13 LEU 4 -0.433 6.005 -3.454 42 HD21 LEU 4 HD21 LEU 4 -0.098 7.913 -1.100 43 HD22 LEU 4 HD22 LEU 4 -1.322 7.611 -2.333 44 HD23 LEU 4 HD23 LEU 4 -0.627 9.223 -2.155 45 H THR 5 H THR 5 4.978 7.616 -1.383 46 HA THR 5 HA THR 5 5.194 10.325 -0.965 47 HB THR 5 HB THR 5 7.628 8.555 -0.889 48 HG1 THR 5 HG1 THR 5 6.827 7.501 0.805 49 HG21 THR 5 HG21 THR 5 6.738 10.600 1.126 50 HG22 THR 5 HG22 THR 5 7.641 11.060 -0.318 51 HG23 THR 5 HG23 THR 5 8.354 9.949 0.851 52 H GLU 6 H GLU 6 7.471 8.428 -2.960 53 HA GLU 6 HA GLU 6 8.872 10.537 -4.056 54 HB2 GLU 6 HB2 GLU 6 9.329 8.978 -5.983 55 HB3 GLU 6 HB3 GLU 6 9.680 8.323 -4.390 56 HG2 GLU 6 HG2 GLU 6 7.433 7.211 -4.461 57 HG3 GLU 6 HG3 GLU 6 7.323 7.709 -6.148 58 H GLU 7 H GLU 7 5.969 8.950 -5.363 59 HA GLU 7 HA GLU 7 5.711 10.443 -7.695 60 HB2 GLU 7 HB2 GLU 7 4.265 8.451 -6.464 61 HB3 GLU 7 HB3 GLU 7 3.160 9.817 -6.399 62 HG2 GLU 7 HG2 GLU 7 3.707 10.087 -8.905 63 HG3 GLU 7 HG3 GLU 7 4.305 8.433 -8.787 64 H GLU 8 H GLU 8 4.596 11.142 -4.418 65 HA GLU 8 HA GLU 8 2.976 13.326 -4.876 66 HB2 GLU 8 HB2 GLU 8 3.422 12.209 -2.666 67 HB3 GLU 8 HB3 GLU 8 4.935 13.101 -2.589 68 HG2 GLU 8 HG2 GLU 8 3.523 15.202 -2.835 69 HG3 GLU 8 HG3 GLU 8 2.135 14.168 -2.498 70 H LYS 9 H LYS 9 6.486 13.373 -4.261 71 HA LYS 9 HA LYS 9 6.871 16.117 -4.561 72 HB2 LYS 9 HB2 LYS 9 8.713 15.047 -3.671 73 HB3 LYS 9 HB3 LYS 9 8.625 13.713 -4.814 74 HG2 LYS 9 HG2 LYS 9 9.852 14.792 -6.384 75 HG3 LYS 9 HG3 LYS 9 9.263 16.387 -5.910 76 HD2 LYS 9 HD2 LYS 9 11.162 14.747 -4.241 77 HD3 LYS 9 HD3 LYS 9 11.689 15.952 -5.418 78 HE2 LYS 9 HE2 LYS 9 10.073 17.527 -4.120 79 HE3 LYS 9 HE3 LYS 9 10.232 16.331 -2.834 80 HZ1 LYS 9 HZ1 LYS 9 12.273 17.036 -2.351 81 HZ2 LYS 9 HZ2 LYS 9 11.923 18.404 -3.283 82 HZ3 LYS 9 HZ3 LYS 9 12.750 17.100 -3.973 83 H ASN 10 H ASN 10 6.855 13.534 -6.972 84 HA ASN 10 HA ASN 10 7.747 15.014 -9.170 85 HB2 ASN 10 HB2 ASN 10 6.003 12.578 -8.902 86 HB3 ASN 10 HB3 ASN 10 6.324 13.288 -10.481 87 HD21 ASN 10 HD21 ASN 10 7.645 11.561 -7.792 88 HD22 ASN 10 HD22 ASN 10 9.148 11.140 -8.533 89 H ARG 11 H ARG 11 4.774 15.120 -7.466 90 HA ARG 11 HA ARG 11 3.332 16.380 -9.659 91 HB2 ARG 11 HB2 ARG 11 2.412 14.735 -7.803 92 HB3 ARG 11 HB3 ARG 11 2.236 16.225 -6.886 93 HG2 ARG 11 HG2 ARG 11 1.080 16.986 -9.176 94 HG3 ARG 11 HG3 ARG 11 0.744 15.255 -9.238 95 HD2 ARG 11 HD2 ARG 11 -1.070 16.471 -8.148 96 HD3 ARG 11 HD3 ARG 11 -0.277 15.366 -7.026 97 HE ARG 11 HE ARG 11 1.007 17.713 -6.607 98 HH11 ARG 11 HH11 ARG 11 -2.827 17.978 -5.486 99 HH12 ARG 11 HH12 ARG 11 -2.348 16.783 -6.645 100 HH21 ARG 11 HH21 ARG 11 -1.270 19.404 -4.597 101 HH22 ARG 11 HH22 ARG 11 0.388 19.290 -5.080 102 H LEU 12 H LEU 12 4.565 17.204 -6.439 103 HA LEU 12 HA LEU 12 3.637 19.761 -6.136 104 HB2 LEU 12 HB2 LEU 12 6.469 18.970 -5.503 105 HB3 LEU 12 HB3 LEU 12 5.477 20.179 -4.691 106 HG LEU 12 HG LEU 12 5.199 17.182 -4.551 107 HD11 LEU 12 HD11 LEU 12 6.905 18.593 -3.160 108 HD12 LEU 12 HD12 LEU 12 5.945 17.333 -2.386 109 HD13 LEU 12 HD13 LEU 12 5.474 19.024 -2.224 110 HD21 LEU 12 HD21 LEU 12 3.340 19.370 -3.680 111 HD22 LEU 12 HD22 LEU 12 3.366 17.802 -2.872 112 HD23 LEU 12 HD23 LEU 12 2.977 17.903 -4.590 113 H ASN 13 H ASN 13 6.824 18.979 -7.547 114 HA ASN 13 HA ASN 13 7.461 21.512 -8.454 115 HB2 ASN 13 HB2 ASN 13 9.095 20.481 -9.857 116 HB3 ASN 13 HB3 ASN 13 8.960 19.476 -8.417 117 HD21 ASN 13 HD21 ASN 13 7.677 17.535 -8.571 118 HD22 ASN 13 HD22 ASN 13 7.554 16.715 -10.087 119 H PHE 14 H PHE 14 5.518 19.012 -10.005 120 HA PHE 14 HA PHE 14 5.269 20.136 -12.541 121 HB2 PHE 14 HB2 PHE 14 4.454 17.848 -11.661 122 HB3 PHE 14 HB3 PHE 14 2.995 18.710 -11.183 123 HD1 PHE 14 HD1 PHE 14 1.293 19.099 -12.720 124 HD2 PHE 14 HD2 PHE 14 5.153 17.961 -14.107 125 HE1 PHE 14 HE1 PHE 14 0.396 18.844 -14.997 126 HE2 PHE 14 HE2 PHE 14 4.262 17.706 -16.386 127 HZ PHE 14 HZ PHE 14 1.881 18.148 -16.834 128 H LEU 15 H LEU 15 2.672 20.220 -10.105 129 HA LEU 15 HA LEU 15 1.162 22.217 -11.250 130 HB2 LEU 15 HB2 LEU 15 1.482 21.163 -8.500 131 HB3 LEU 15 HB3 LEU 15 0.639 22.701 -8.677 132 HG LEU 15 HG LEU 15 -0.326 20.597 -10.474 133 HD11 LEU 15 HD11 LEU 15 -0.237 20.189 -7.525 134 HD12 LEU 15 HD12 LEU 15 -0.083 19.016 -8.832 135 HD13 LEU 15 HD13 LEU 15 -1.666 19.676 -8.422 136 HD21 LEU 15 HD21 LEU 15 -1.476 22.698 -10.274 137 HD22 LEU 15 HD22 LEU 15 -1.607 22.509 -8.525 138 HD23 LEU 15 HD23 LEU 15 -2.495 21.426 -9.599 139 H LYS 16 H LYS 16 3.956 22.514 -9.134 140 HA LYS 16 HA LYS 16 3.796 25.245 -8.563 141 HB2 LYS 16 HB2 LYS 16 6.088 23.312 -8.745 142 HB3 LYS 16 HB3 LYS 16 6.377 25.015 -8.418 143 HG2 LYS 16 HG2 LYS 16 4.306 23.896 -6.719 144 HG3 LYS 16 HG3 LYS 16 5.852 23.060 -6.554 145 HD2 LYS 16 HD2 LYS 16 6.975 25.135 -6.061 146 HD3 LYS 16 HD3 LYS 16 5.501 26.052 -6.381 147 HE2 LYS 16 HE2 LYS 16 5.318 23.910 -4.350 148 HE3 LYS 16 HE3 LYS 16 6.282 25.322 -3.920 149 HZ1 LYS 16 HZ1 LYS 16 4.411 26.382 -3.461 150 HZ2 LYS 16 HZ2 LYS 16 3.484 25.057 -3.955 151 HZ3 LYS 16 HZ3 LYS 16 3.925 26.245 -5.076 152 H LYS 17 H LYS 17 5.539 23.588 -11.189 153 HA LYS 17 HA LYS 17 6.315 26.052 -12.435 154 HB2 LYS 17 HB2 LYS 17 6.402 23.200 -13.434 155 HB3 LYS 17 HB3 LYS 17 7.110 24.574 -14.274 156 HG2 LYS 17 HG2 LYS 17 7.936 24.201 -11.468 157 HG3 LYS 17 HG3 LYS 17 8.483 22.979 -12.618 158 HD2 LYS 17 HD2 LYS 17 9.930 24.387 -13.595 159 HD3 LYS 17 HD3 LYS 17 8.775 25.722 -13.588 160 HE2 LYS 17 HE2 LYS 17 9.255 26.059 -11.180 161 HE3 LYS 17 HE3 LYS 17 10.485 24.799 -11.280 162 HZ1 LYS 17 HZ1 LYS 17 11.698 26.124 -12.866 163 HZ2 LYS 17 HZ2 LYS 17 11.420 27.037 -11.470 164 HZ3 LYS 17 HZ3 LYS 17 10.496 27.314 -12.860 165 H ILE 18 H ILE 18 3.532 24.073 -12.495 166 HA ILE 18 HA ILE 18 2.624 24.720 -15.122 167 HB ILE 18 HB ILE 18 1.269 23.567 -12.700 168 HG12 ILE 18 HG12 ILE 18 2.823 22.214 -14.187 169 HG13 ILE 18 HG13 ILE 18 1.206 21.555 -13.964 170 HG21 ILE 18 HG21 ILE 18 -0.580 24.625 -13.509 171 HG22 ILE 18 HG22 ILE 18 0.038 24.684 -15.159 172 HG23 ILE 18 HG23 ILE 18 -0.617 23.178 -14.516 173 HD11 ILE 18 HD11 ILE 18 1.583 23.318 -16.295 174 HD12 ILE 18 HD12 ILE 18 2.404 21.757 -16.342 175 HD13 ILE 18 HD13 ILE 18 0.654 21.827 -16.129 176 H SER 19 H SER 19 1.586 25.819 -11.890 177 HA SER 19 HA SER 19 -0.144 27.832 -12.872 178 HB2 SER 19 HB2 SER 19 0.268 26.695 -10.427 179 HB3 SER 19 HB3 SER 19 1.023 28.272 -10.198 180 HG SER 19 HG SER 19 -1.634 27.754 -11.050 181 H GLN 20 H GLN 20 3.221 27.652 -12.717 182 HA GLN 20 HA GLN 20 3.589 30.544 -12.561 183 HB2 GLN 20 HB2 GLN 20 5.487 28.210 -12.550 184 HB3 GLN 20 HB3 GLN 20 6.057 29.859 -12.769 185 HG2 GLN 20 HG2 GLN 20 4.312 29.209 -10.443 186 HG3 GLN 20 HG3 GLN 20 6.019 28.770 -10.404 187 HE21 GLN 20 HE21 GLN 20 5.628 30.348 -8.511 188 HE22 GLN 20 HE22 GLN 20 5.999 32.002 -8.843 189 H ARG 21 H ARG 21 4.173 27.846 -14.786 190 HA ARG 21 HA ARG 21 5.137 29.555 -16.882 191 HB2 ARG 21 HB2 ARG 21 5.380 27.597 -18.174 192 HB3 ARG 21 HB3 ARG 21 5.746 27.107 -16.525 193 HG2 ARG 21 HG2 ARG 21 3.310 26.368 -16.384 194 HG3 ARG 21 HG3 ARG 21 3.288 26.537 -18.141 195 HD2 ARG 21 HD2 ARG 21 5.507 24.986 -16.921 196 HD3 ARG 21 HD3 ARG 21 3.906 24.248 -16.946 197 HE ARG 21 HE ARG 21 4.314 25.156 -19.499 198 HH11 ARG 21 HH11 ARG 21 6.610 22.004 -18.594 199 HH12 ARG 21 HH12 ARG 21 5.967 22.995 -17.327 200 HH21 ARG 21 HH21 ARG 21 6.148 22.496 -20.783 201 HH22 ARG 21 HH22 ARG 21 5.154 23.859 -21.176 202 H TYR 22 H TYR 22 2.070 28.131 -15.979 203 HA TYR 22 HA TYR 22 0.730 28.650 -18.432 204 HB2 TYR 22 HB2 TYR 22 -0.099 26.977 -16.854 205 HB3 TYR 22 HB3 TYR 22 -0.383 28.230 -15.650 206 HD1 TYR 22 HD1 TYR 22 -1.538 26.806 -18.838 207 HD2 TYR 22 HD2 TYR 22 -2.308 29.667 -15.784 208 HE1 TYR 22 HE1 TYR 22 -3.811 27.127 -19.721 209 HE2 TYR 22 HE2 TYR 22 -4.584 29.995 -16.658 210 HH TYR 22 HH TYR 22 -5.591 28.705 -19.692 211 H GLN 23 H GLN 23 0.753 30.328 -15.294 212 HA GLN 23 HA GLN 23 -0.851 32.498 -16.248 213 HB2 GLN 23 HB2 GLN 23 0.023 31.559 -13.744 214 HB3 GLN 23 HB3 GLN 23 0.691 33.177 -13.910 215 HG2 GLN 23 HG2 GLN 23 -1.488 34.106 -14.263 216 HG3 GLN 23 HG3 GLN 23 -2.211 32.499 -14.309 217 HE21 GLN 23 HE21 GLN 23 0.199 33.861 -12.111 218 HE22 GLN 23 HE22 GLN 23 -0.731 33.643 -10.672 219 H LYS 24 H LYS 24 2.205 31.665 -16.993 220 HA LYS 24 HA LYS 24 3.428 34.286 -16.857 221 HB2 LYS 24 HB2 LYS 24 4.305 31.556 -17.370 222 HB3 LYS 24 HB3 LYS 24 5.012 32.702 -18.501 223 HG2 LYS 24 HG2 LYS 24 5.105 33.673 -15.773 224 HG3 LYS 24 HG3 LYS 24 5.921 32.119 -15.961 225 HD2 LYS 24 HD2 LYS 24 6.442 34.236 -17.985 226 HD3 LYS 24 HD3 LYS 24 7.175 34.410 -16.389 227 HE2 LYS 24 HE2 LYS 24 7.792 31.857 -16.851 228 HE3 LYS 24 HE3 LYS 24 7.692 32.413 -18.520 229 HZ1 LYS 24 HZ1 LYS 24 9.183 34.164 -16.782 230 HZ2 LYS 24 HZ2 LYS 24 9.572 33.578 -18.321 231 HZ3 LYS 24 HZ3 LYS 24 9.870 32.627 -16.954 232 H PHE 25 H PHE 25 1.854 32.245 -19.226 233 HA PHE 25 HA PHE 25 2.047 34.453 -21.163 234 HB2 PHE 25 HB2 PHE 25 2.775 31.623 -21.476 235 HB3 PHE 25 HB3 PHE 25 1.736 32.244 -22.755 236 HD1 PHE 25 HD1 PHE 25 4.983 31.599 -22.054 237 HD2 PHE 25 HD2 PHE 25 2.547 34.828 -23.380 238 HE1 PHE 25 HE1 PHE 25 6.940 32.626 -23.135 239 HE2 PHE 25 HE2 PHE 25 4.500 35.860 -24.465 240 HZ PHE 25 HZ PHE 25 6.700 34.759 -24.344 241 H ALA 26 H ALA 26 0.052 32.699 -19.242 242 HA ALA 26 HA ALA 26 -2.253 33.169 -21.017 243 HB1 ALA 26 HB1 ALA 26 -1.407 30.692 -20.202 244 HB2 ALA 26 HB2 ALA 26 -2.661 31.080 -19.023 245 HB3 ALA 26 HB3 ALA 26 -3.036 31.094 -20.746 246 H LEU 27 H LEU 27 -3.329 34.852 -20.221 247 HA LEU 27 HA LEU 27 -3.807 34.951 -17.317 248 HB2 LEU 27 HB2 LEU 27 -3.423 37.320 -19.141 249 HB3 LEU 27 HB3 LEU 27 -3.726 37.373 -17.405 250 HG LEU 27 HG LEU 27 -1.445 37.812 -17.608 251 HD11 LEU 27 HD11 LEU 27 -0.639 36.269 -16.195 252 HD12 LEU 27 HD12 LEU 27 -0.994 34.932 -17.287 253 HD13 LEU 27 HD13 LEU 27 -2.269 35.601 -16.269 254 HD21 LEU 27 HD21 LEU 27 -1.569 36.802 -20.072 255 HD22 LEU 27 HD22 LEU 27 -0.779 35.448 -19.263 256 HD23 LEU 27 HD23 LEU 27 -0.043 37.051 -19.222 257 HA PRO 28 HA PRO 28 -7.756 35.011 -19.898 258 HB2 PRO 28 HB2 PRO 28 -8.805 32.711 -18.909 259 HB3 PRO 28 HB3 PRO 28 -7.755 32.755 -20.330 260 HG2 PRO 28 HG2 PRO 28 -7.077 32.079 -17.494 261 HG3 PRO 28 HG3 PRO 28 -6.561 31.277 -18.989 262 HD2 PRO 28 HD2 PRO 28 -4.976 33.013 -17.645 263 HD3 PRO 28 HD3 PRO 28 -4.923 32.842 -19.411 264 H GLN 29 H GLN 29 -7.102 34.138 -16.532 265 HA GLN 29 HA GLN 29 -9.466 35.708 -15.745 266 HB2 GLN 29 HB2 GLN 29 -8.613 33.003 -14.946 267 HB3 GLN 29 HB3 GLN 29 -9.097 34.049 -13.618 268 HG2 GLN 29 HG2 GLN 29 -11.270 34.260 -14.410 269 HG3 GLN 29 HG3 GLN 29 -10.829 33.741 -16.036 270 HE21 GLN 29 HE21 GLN 29 -11.002 31.650 -16.555 271 HE22 GLN 29 HE22 GLN 29 -11.427 30.389 -15.453 272 H TYR 30 H TYR 30 -6.138 35.408 -15.619 273 HA TYR 30 HA TYR 30 -5.340 36.120 -13.100 274 HB2 TYR 30 HB2 TYR 30 -3.952 35.754 -15.261 275 HB3 TYR 30 HB3 TYR 30 -4.145 37.488 -15.495 276 HD1 TYR 30 HD1 TYR 30 -3.500 35.443 -12.434 277 HD2 TYR 30 HD2 TYR 30 -2.127 38.516 -15.037 278 HE1 TYR 30 HE1 TYR 30 -1.594 35.853 -10.935 279 HE2 TYR 30 HE2 TYR 30 -0.216 38.934 -13.546 280 HH TYR 30 HH TYR 30 0.429 36.876 -10.766 281 H LEU 31 H LEU 31 -6.050 38.457 -15.704 282 HA LEU 31 HA LEU 31 -6.260 40.597 -13.753 283 HB2 LEU 31 HB2 LEU 31 -6.728 41.975 -15.832 284 HB3 LEU 31 HB3 LEU 31 -5.129 41.248 -15.691 285 HG LEU 31 HG LEU 31 -6.367 41.215 -17.972 286 HD11 LEU 31 HD11 LEU 31 -5.472 38.490 -17.504 287 HD12 LEU 31 HD12 LEU 31 -4.370 39.694 -16.839 288 HD13 LEU 31 HD13 LEU 31 -4.799 39.742 -18.549 289 HD21 LEU 31 HD21 LEU 31 -8.466 40.293 -17.035 290 HD22 LEU 31 HD22 LEU 31 -7.607 38.799 -16.659 291 HD23 LEU 31 HD23 LEU 31 -7.795 39.311 -18.337 292 H LYS 32 H LYS 32 -8.260 38.281 -14.218 293 HA LYS 32 HA LYS 32 -10.669 39.928 -14.592 294 HB2 LYS 32 HB2 LYS 32 -10.228 37.844 -16.036 295 HB3 LYS 32 HB3 LYS 32 -10.602 36.918 -14.589 296 HG2 LYS 32 HG2 LYS 32 -12.819 37.844 -14.507 297 HG3 LYS 32 HG3 LYS 32 -12.456 38.925 -15.853 298 HD2 LYS 32 HD2 LYS 32 -11.818 36.373 -16.781 299 HD3 LYS 32 HD3 LYS 32 -13.325 36.170 -15.885 300 HE2 LYS 32 HE2 LYS 32 -13.809 38.456 -17.296 301 HE3 LYS 32 HE3 LYS 32 -12.804 37.544 -18.421 302 HZ1 LYS 32 HZ1 LYS 32 -15.514 37.191 -17.868 303 HZ2 LYS 32 HZ2 LYS 32 -14.710 35.815 -17.301 304 HZ3 LYS 32 HZ3 LYS 32 -14.540 36.288 -18.916 305 H THR 33 H THR 33 -9.215 37.460 -12.512 306 HA THR 33 HA THR 33 -11.310 37.885 -10.514 307 HB THR 33 HB THR 33 -10.695 35.557 -11.053 308 HG1 THR 33 HG1 THR 33 -10.114 35.037 -8.730 309 HG21 THR 33 HG21 THR 33 -8.114 35.827 -9.604 310 HG22 THR 33 HG22 THR 33 -8.168 36.351 -11.287 311 HG23 THR 33 HG23 THR 33 -8.588 34.691 -10.866 312 H VAL 34 H VAL 34 -7.825 38.212 -10.960 313 HA VAL 34 HA VAL 34 -7.283 39.049 -8.289 314 HB VAL 34 HB VAL 34 -5.604 39.609 -10.733 315 HG11 VAL 34 HG11 VAL 34 -5.032 40.815 -8.637 316 HG12 VAL 34 HG12 VAL 34 -4.798 39.253 -7.850 317 HG13 VAL 34 HG13 VAL 34 -3.762 39.728 -9.197 318 HG21 VAL 34 HG21 VAL 34 -4.455 37.509 -10.275 319 HG22 VAL 34 HG22 VAL 34 -5.574 37.171 -8.955 320 HG23 VAL 34 HG23 VAL 34 -6.162 37.225 -10.617 321 H TYR 35 H TYR 35 -8.223 40.670 -11.231 322 HA TYR 35 HA TYR 35 -7.540 43.305 -10.374 323 HB2 TYR 35 HB2 TYR 35 -8.197 42.216 -12.777 324 HB3 TYR 35 HB3 TYR 35 -9.709 43.013 -12.356 325 HD1 TYR 35 HD1 TYR 35 -6.507 43.435 -13.800 326 HD2 TYR 35 HD2 TYR 35 -9.513 45.506 -11.614 327 HE1 TYR 35 HE1 TYR 35 -5.581 45.580 -14.570 328 HE2 TYR 35 HE2 TYR 35 -8.596 47.656 -12.378 329 HH TYR 35 HH TYR 35 -6.431 47.938 -14.905 330 H GLN 36 H GLN 36 -10.176 41.184 -9.780 331 HA GLN 36 HA GLN 36 -11.855 43.377 -8.796 332 HB2 GLN 36 HB2 GLN 36 -12.566 41.251 -10.293 333 HB3 GLN 36 HB3 GLN 36 -12.839 40.585 -8.689 334 HG2 GLN 36 HG2 GLN 36 -13.945 43.230 -8.879 335 HG3 GLN 36 HG3 GLN 36 -14.555 42.203 -10.176 336 HE21 GLN 36 HE21 GLN 36 -15.775 40.386 -9.667 337 HE22 GLN 36 HE22 GLN 36 -16.486 40.164 -8.108 338 H HIS 37 H HIS 37 -10.219 40.435 -7.766 339 HA HIS 37 HA HIS 37 -11.172 40.635 -5.054 340 HB2 HIS 37 HB2 HIS 37 -9.285 38.820 -6.513 341 HB3 HIS 37 HB3 HIS 37 -9.295 38.833 -4.752 342 HD1 HIS 37 HD1 HIS 37 -11.136 37.565 -3.601 343 HD2 HIS 37 HD2 HIS 37 -11.778 37.970 -7.685 344 HE1 HIS 37 HE1 HIS 37 -13.110 36.096 -4.120 345 H GLN 38 H GLN 38 -7.860 40.629 -6.383 346 HA GLN 38 HA GLN 38 -6.605 41.672 -4.139 347 HB2 GLN 38 HB2 GLN 38 -5.849 40.940 -6.735 348 HB3 GLN 38 HB3 GLN 38 -5.342 42.615 -6.564 349 HG2 GLN 38 HG2 GLN 38 -4.700 40.684 -4.393 350 HG3 GLN 38 HG3 GLN 38 -3.759 40.650 -5.883 351 HE21 GLN 38 HE21 GLN 38 -2.623 42.560 -6.502 352 HE22 GLN 38 HE22 GLN 38 -2.124 43.703 -5.307 353 H LYS 39 H LYS 39 -6.352 43.654 -3.292 354 HA LYS 39 HA LYS 39 -7.172 45.986 -4.872 355 HB2 LYS 39 HB2 LYS 39 -8.510 44.915 -2.525 356 HB3 LYS 39 HB3 LYS 39 -7.990 46.577 -2.274 357 HG2 LYS 39 HG2 LYS 39 -9.144 47.186 -4.396 358 HG3 LYS 39 HG3 LYS 39 -9.780 45.540 -4.459 359 HD2 LYS 39 HD2 LYS 39 -10.583 46.085 -2.024 360 HD3 LYS 39 HD3 LYS 39 -10.423 47.757 -2.565 361 HE2 LYS 39 HE2 LYS 39 -11.792 46.103 -4.515 362 HE3 LYS 39 HE3 LYS 39 -12.605 46.090 -2.951 363 HZ1 LYS 39 HZ1 LYS 39 -12.340 48.616 -3.069 364 HZ2 LYS 39 HZ2 LYS 39 -13.523 47.899 -4.042 365 HZ3 LYS 39 HZ3 LYS 39 -12.052 48.385 -4.720
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