NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512568 | 2l8n | 17419 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 9 HT1 ALA 9 6.350 -11.118 -15.551 2 HA ALA 9 HA ALA 9 6.165 -13.131 -14.687 3 HB1 ALA 9 HB1 ALA 9 8.522 -13.122 -14.204 4 HB2 ALA 9 HB2 ALA 9 7.712 -13.776 -12.781 5 HB3 ALA 9 HB3 ALA 9 8.287 -12.108 -12.781 6 H ALA 10 HN ALA 10 4.203 -11.369 -14.001 7 HA ALA 10 HA ALA 10 3.723 -11.450 -11.134 8 HB1 ALA 10 HB1 ALA 10 1.487 -10.437 -11.863 9 HB2 ALA 10 HB2 ALA 10 2.159 -10.393 -13.492 10 HB3 ALA 10 HB3 ALA 10 2.930 -9.483 -12.194 11 H THR 11 HN THR 11 1.292 -12.094 -10.600 12 HA THR 11 HA THR 11 0.529 -14.589 -11.955 13 HB THR 11 HB THR 11 0.912 -14.414 -8.955 14 HG1 THR 11 HG1 THR 11 2.823 -15.335 -9.241 15 HG21 THR 11 HG21 THR 11 -0.805 -16.009 -9.836 16 HG22 THR 11 HG22 THR 11 0.534 -16.806 -9.017 17 HG23 THR 11 HG23 THR 11 0.462 -16.790 -10.777 18 H MET 12 HN MET 12 -1.647 -15.141 -11.685 19 HA MET 12 HA MET 12 -3.495 -13.074 -11.492 20 HB2 MET 12 HB2 MET 12 -5.185 -14.930 -11.128 21 HB3 MET 12 HB1 MET 12 -4.157 -15.111 -12.549 22 HG2 MET 12 HG2 MET 12 -2.793 -16.743 -11.487 23 HG3 MET 12 HG1 MET 12 -3.441 -16.360 -9.893 24 HE1 MET 12 HE1 MET 12 -4.339 -19.072 -9.308 25 HE2 MET 12 HE2 MET 12 -3.038 -18.944 -10.489 26 HE3 MET 12 HE3 MET 12 -4.410 -20.001 -10.813 27 H LYS 13 HN LYS 13 -2.031 -14.996 -8.985 28 HA LYS 13 HA LYS 13 -3.932 -14.387 -6.937 29 HB2 LYS 13 HB2 LYS 13 -2.285 -16.328 -6.950 30 HB3 LYS 13 HB1 LYS 13 -1.042 -15.152 -6.525 31 HG2 LYS 13 HG2 LYS 13 -2.574 -14.446 -4.599 32 HG3 LYS 13 HG1 LYS 13 -3.503 -15.906 -4.942 33 HD2 LYS 13 HD2 LYS 13 -0.537 -15.844 -4.315 34 HD3 LYS 13 HD1 LYS 13 -1.803 -16.288 -3.170 35 HE2 LYS 13 HE2 LYS 13 -2.513 -18.044 -4.934 36 HE3 LYS 13 HE1 LYS 13 -0.933 -17.750 -5.663 37 HZ1 LYS 13 HZ1 LYS 13 -1.488 -19.427 -3.562 38 HZ2 LYS 13 HZ2 LYS 13 -0.732 -18.085 -2.846 39 HZ3 LYS 13 HZ3 LYS 13 0.049 -18.939 -4.090 40 H ASP 14 HN ASP 14 -0.810 -13.006 -7.928 41 HA ASP 14 HA ASP 14 -0.574 -11.165 -5.817 42 HB2 ASP 14 HB2 ASP 14 0.496 -11.127 -8.642 43 HB3 ASP 14 HB1 ASP 14 0.939 -9.939 -7.417 44 H VAL 15 HN VAL 15 -2.274 -11.040 -8.902 45 HA VAL 15 HA VAL 15 -2.820 -8.274 -8.900 46 HB VAL 15 HB VAL 15 -4.219 -10.630 -10.177 47 HG11 VAL 15 HG11 VAL 15 -5.918 -8.959 -10.005 48 HG12 VAL 15 HG12 VAL 15 -5.269 -8.818 -11.638 49 HG13 VAL 15 HG13 VAL 15 -4.785 -7.665 -10.395 50 HG21 VAL 15 HG21 VAL 15 -1.857 -9.900 -10.862 51 HG22 VAL 15 HG22 VAL 15 -2.603 -8.416 -11.457 52 HG23 VAL 15 HG23 VAL 15 -3.058 -9.973 -12.151 53 H ALA 16 HN ALA 16 -4.493 -11.037 -7.471 54 HA ALA 16 HA ALA 16 -6.915 -9.860 -6.790 55 HB1 ALA 16 HB1 ALA 16 -6.506 -12.228 -6.406 56 HB2 ALA 16 HB2 ALA 16 -6.958 -11.464 -4.882 57 HB3 ALA 16 HB3 ALA 16 -5.268 -11.852 -5.208 58 H LEU 17 HN LEU 17 -3.847 -9.836 -5.018 59 HA LEU 17 HA LEU 17 -4.794 -8.272 -2.835 60 HB2 LEU 17 HB2 LEU 17 -2.059 -8.950 -3.896 61 HB3 LEU 17 HB1 LEU 17 -2.234 -7.782 -2.589 62 HG LEU 17 HG LEU 17 -3.628 -10.455 -2.384 63 HD11 LEU 17 HD11 LEU 17 -1.401 -11.182 -2.854 64 HD12 LEU 17 HD12 LEU 17 -1.543 -11.215 -1.097 65 HD13 LEU 17 HD13 LEU 17 -0.694 -9.887 -1.887 66 HD21 LEU 17 HD21 LEU 17 -2.437 -8.490 -0.384 67 HD22 LEU 17 HD22 LEU 17 -3.163 -10.034 0.057 68 HD23 LEU 17 HD23 LEU 17 -4.153 -8.774 -0.677 69 H LYS 18 HN LYS 18 -3.243 -7.452 -5.903 70 HA LYS 18 HA LYS 18 -2.873 -4.694 -5.380 71 HB2 LYS 18 HB2 LYS 18 -1.709 -5.807 -7.206 72 HB3 LYS 18 HB1 LYS 18 -3.245 -6.151 -8.005 73 HG2 LYS 18 HG2 LYS 18 -3.651 -3.848 -8.453 74 HG3 LYS 18 HG1 LYS 18 -2.405 -3.327 -7.318 75 HD2 LYS 18 HD2 LYS 18 -1.667 -3.144 -9.694 76 HD3 LYS 18 HD1 LYS 18 -0.657 -4.244 -8.755 77 HE2 LYS 18 HE2 LYS 18 -1.651 -6.165 -9.726 78 HE3 LYS 18 HE1 LYS 18 -3.019 -5.244 -10.349 79 HZ1 LYS 18 HZ1 LYS 18 -0.259 -5.379 -11.348 80 HZ2 LYS 18 HZ2 LYS 18 -1.172 -3.973 -11.621 81 HZ3 LYS 18 HZ3 LYS 18 -1.720 -5.471 -12.207 82 H ALA 19 HN ALA 19 -5.620 -6.554 -6.543 83 HA ALA 19 HA ALA 19 -7.191 -4.068 -6.906 84 HB1 ALA 19 HB1 ALA 19 -7.473 -6.869 -7.971 85 HB2 ALA 19 HB2 ALA 19 -7.379 -5.353 -8.861 86 HB3 ALA 19 HB3 ALA 19 -8.843 -5.758 -7.966 87 H LYS 20 HN LYS 20 -6.456 -5.847 -4.417 88 HA LYS 20 HA LYS 20 -7.531 -6.772 -2.574 89 HB2 LYS 20 HB2 LYS 20 -8.969 -5.084 -1.458 90 HB3 LYS 20 HB1 LYS 20 -7.448 -4.412 -2.041 91 HG2 LYS 20 HG2 LYS 20 -8.518 -3.373 -3.927 92 HG3 LYS 20 HG1 LYS 20 -10.008 -4.278 -3.662 93 HD2 LYS 20 HD2 LYS 20 -10.370 -2.052 -2.823 94 HD3 LYS 20 HD1 LYS 20 -10.226 -3.123 -1.431 95 HE2 LYS 20 HE2 LYS 20 -7.998 -2.398 -0.979 96 HE3 LYS 20 HE1 LYS 20 -7.862 -1.600 -2.548 97 HZ1 LYS 20 HZ1 LYS 20 -9.476 -0.787 -0.209 98 HZ2 LYS 20 HZ2 LYS 20 -9.793 -0.186 -1.766 99 HZ3 LYS 20 HZ3 LYS 20 -8.289 0.102 -1.032 100 H VAL 21 HN VAL 21 -8.555 -8.055 -4.706 101 HA VAL 21 HA VAL 21 -11.383 -7.868 -4.959 102 HB VAL 21 HB VAL 21 -9.688 -10.297 -5.546 103 HG11 VAL 21 HG11 VAL 21 -12.245 -10.383 -5.621 104 HG12 VAL 21 HG12 VAL 21 -11.410 -10.843 -7.105 105 HG13 VAL 21 HG13 VAL 21 -12.142 -9.245 -6.963 106 HG21 VAL 21 HG21 VAL 21 -8.656 -8.312 -6.565 107 HG22 VAL 21 HG22 VAL 21 -10.211 -7.842 -7.250 108 HG23 VAL 21 HG23 VAL 21 -9.412 -9.312 -7.805 109 H SER 22 HN SER 22 -9.754 -10.800 -3.848 110 HA SER 22 HA SER 22 -10.561 -10.977 -1.239 111 HB2 SER 22 HB2 SER 22 -12.818 -11.432 -3.126 112 HB3 SER 22 HB1 SER 22 -12.696 -12.537 -1.760 113 HG SER 22 HG SER 22 -13.437 -9.922 -1.840 114 H THR 23 HN THR 23 -9.588 -12.728 -0.436 115 HA THR 23 HA THR 23 -8.090 -14.490 -1.951 116 HB THR 23 HB THR 23 -7.967 -14.065 0.565 117 HG1 THR 23 HG1 THR 23 -7.911 -16.694 -0.485 118 HG21 THR 23 HG21 THR 23 -10.472 -14.727 0.816 119 HG22 THR 23 HG22 THR 23 -9.335 -15.290 2.040 120 HG23 THR 23 HG23 THR 23 -9.877 -16.387 0.771 121 H ALA 24 HN ALA 24 -11.497 -14.679 -1.102 122 HA ALA 24 HA ALA 24 -11.769 -17.446 -1.878 123 HB1 ALA 24 HB1 ALA 24 -13.777 -15.279 -1.241 124 HB2 ALA 24 HB2 ALA 24 -13.277 -16.614 -0.205 125 HB3 ALA 24 HB3 ALA 24 -14.223 -16.933 -1.658 126 H THR 25 HN THR 25 -12.483 -14.294 -3.304 127 HA THR 25 HA THR 25 -13.873 -15.174 -5.583 128 HB THR 25 HB THR 25 -12.958 -13.039 -6.650 129 HG1 THR 25 HG1 THR 25 -11.889 -12.771 -4.040 130 HG21 THR 25 HG21 THR 25 -14.348 -13.000 -3.963 131 HG22 THR 25 HG22 THR 25 -15.101 -13.004 -5.557 132 HG23 THR 25 HG23 THR 25 -14.211 -11.584 -5.006 133 H VAL 26 HN VAL 26 -10.449 -14.148 -5.515 134 HA VAL 26 HA VAL 26 -9.712 -15.133 -7.979 135 HB VAL 26 HB VAL 26 -8.346 -13.731 -6.337 136 HG11 VAL 26 HG11 VAL 26 -8.577 -15.493 -4.492 137 HG12 VAL 26 HG12 VAL 26 -6.958 -14.841 -4.742 138 HG13 VAL 26 HG13 VAL 26 -7.375 -16.432 -5.378 139 HG21 VAL 26 HG21 VAL 26 -6.237 -14.496 -7.290 140 HG22 VAL 26 HG22 VAL 26 -7.496 -14.637 -8.515 141 HG23 VAL 26 HG23 VAL 26 -6.936 -16.072 -7.657 142 H SER 27 HN SER 27 -10.060 -16.875 -4.942 143 HA SER 27 HA SER 27 -8.880 -19.310 -5.922 144 HB2 SER 27 HB2 SER 27 -8.755 -19.069 -3.588 145 HB3 SER 27 HB1 SER 27 -10.435 -18.555 -3.460 146 HG SER 27 HG SER 27 -9.604 -21.121 -4.348 147 H ARG 28 HN ARG 28 -12.107 -17.949 -5.742 148 HA ARG 28 HA ARG 28 -13.414 -20.427 -6.511 149 HB2 ARG 28 HB2 ARG 28 -14.393 -17.588 -6.163 150 HB3 ARG 28 HB1 ARG 28 -15.438 -18.909 -6.685 151 HG2 ARG 28 HG2 ARG 28 -13.783 -19.287 -4.197 152 HG3 ARG 28 HG1 ARG 28 -15.224 -18.278 -4.102 153 HD2 ARG 28 HD2 ARG 28 -16.619 -20.097 -4.902 154 HD3 ARG 28 HD1 ARG 28 -15.207 -21.106 -5.193 155 HE ARG 28 HE ARG 28 -16.488 -20.633 -2.651 156 HH11 ARG 28 HH21 ARG 28 -13.546 -21.417 -4.297 157 HH12 ARG 28 HH22 ARG 28 -12.849 -22.247 -2.945 158 HH21 ARG 28 HH11 ARG 28 -15.580 -21.720 -0.874 159 HH22 ARG 28 HH12 ARG 28 -14.001 -22.420 -1.008 160 H ALA 29 HN ALA 29 -11.914 -17.757 -8.017 161 HA ALA 29 HA ALA 29 -13.236 -17.401 -10.400 162 HB1 ALA 29 HB1 ALA 29 -11.012 -16.852 -11.375 163 HB2 ALA 29 HB2 ALA 29 -10.249 -17.493 -9.921 164 HB3 ALA 29 HB3 ALA 29 -11.290 -16.073 -9.818 165 H LEU 30 HN LEU 30 -11.620 -20.243 -9.306 166 HA LEU 30 HA LEU 30 -11.570 -21.385 -12.034 167 HB2 LEU 30 HB2 LEU 30 -10.130 -23.111 -11.117 168 HB3 LEU 30 HB1 LEU 30 -9.492 -21.529 -10.682 169 HG LEU 30 HG LEU 30 -11.142 -22.032 -8.519 170 HD11 LEU 30 HD11 LEU 30 -9.882 -24.689 -9.285 171 HD12 LEU 30 HD12 LEU 30 -11.611 -24.343 -9.314 172 HD13 LEU 30 HD13 LEU 30 -10.737 -24.338 -7.785 173 HD21 LEU 30 HD21 LEU 30 -8.227 -22.797 -8.881 174 HD22 LEU 30 HD22 LEU 30 -9.037 -22.676 -7.319 175 HD23 LEU 30 HD23 LEU 30 -8.849 -21.242 -8.329 176 H MET 31 HN MET 31 -13.354 -21.368 -9.123 177 HA MET 31 HA MET 31 -14.637 -23.968 -9.697 178 HB2 MET 31 HB2 MET 31 -14.835 -22.118 -7.306 179 HB3 MET 31 HB1 MET 31 -15.704 -23.644 -7.475 180 HG2 MET 31 HG2 MET 31 -13.404 -24.726 -7.852 181 HG3 MET 31 HG1 MET 31 -12.723 -23.213 -7.254 182 HE1 MET 31 HE1 MET 31 -12.495 -26.062 -4.500 183 HE2 MET 31 HE2 MET 31 -11.541 -24.721 -5.131 184 HE3 MET 31 HE3 MET 31 -12.185 -25.934 -6.237 185 H ASN 32 HN ASN 32 -15.536 -20.608 -8.900 186 HA ASN 32 HA ASN 32 -17.812 -20.785 -10.759 187 HB2 ASN 32 HB2 ASN 32 -18.043 -19.922 -7.869 188 HB3 ASN 32 HB1 ASN 32 -19.322 -19.815 -9.077 189 HD21 ASN 32 HD21 ASN 32 -18.653 -21.627 -6.509 190 HD22 ASN 32 HD22 ASN 32 -19.135 -23.162 -7.049 191 HA PRO 33 HA PRO 33 -15.652 -16.714 -10.930 192 HB2 PRO 33 HB2 PRO 33 -15.234 -16.586 -13.602 193 HB3 PRO 33 HB1 PRO 33 -14.189 -17.544 -12.535 194 HG2 PRO 33 HG2 PRO 33 -16.389 -18.449 -14.335 195 HG3 PRO 33 HG1 PRO 33 -14.827 -19.213 -13.994 196 HD2 PRO 33 HD2 PRO 33 -17.246 -19.956 -12.814 197 HD3 PRO 33 HD1 PRO 33 -15.643 -20.319 -12.135 198 H ASP 34 HN ASP 34 -18.168 -16.526 -10.338 199 HA ASP 34 HA ASP 34 -19.250 -14.568 -12.197 200 HB2 ASP 34 HB2 ASP 34 -20.133 -16.791 -12.982 201 HB3 ASP 34 HB1 ASP 34 -20.928 -16.961 -11.417 202 H LYS 35 HN LYS 35 -18.187 -14.513 -9.515 203 HA LYS 35 HA LYS 35 -20.596 -13.633 -8.014 204 HB2 LYS 35 HB2 LYS 35 -19.528 -15.699 -7.069 205 HB3 LYS 35 HB1 LYS 35 -18.052 -14.764 -6.821 206 HG2 LYS 35 HG2 LYS 35 -19.156 -13.270 -5.297 207 HG3 LYS 35 HG1 LYS 35 -20.739 -13.939 -5.694 208 HD2 LYS 35 HD2 LYS 35 -19.955 -16.154 -4.803 209 HD3 LYS 35 HD1 LYS 35 -18.478 -15.356 -4.259 210 HE2 LYS 35 HE2 LYS 35 -19.904 -13.757 -2.946 211 HE3 LYS 35 HE1 LYS 35 -21.311 -14.727 -3.382 212 HZ1 LYS 35 HZ1 LYS 35 -20.455 -16.580 -2.237 213 HZ2 LYS 35 HZ2 LYS 35 -20.247 -15.260 -1.187 214 HZ3 LYS 35 HZ3 LYS 35 -18.923 -15.875 -2.056 215 H VAL 36 HN VAL 36 -17.566 -12.836 -9.343 216 HA VAL 36 HA VAL 36 -16.761 -10.764 -7.588 217 HB VAL 36 HB VAL 36 -16.221 -11.165 -10.541 218 HG11 VAL 36 HG11 VAL 36 -15.791 -8.862 -10.032 219 HG12 VAL 36 HG12 VAL 36 -14.226 -9.677 -9.999 220 HG13 VAL 36 HG13 VAL 36 -15.045 -9.277 -8.488 221 HG21 VAL 36 HG21 VAL 36 -14.667 -11.869 -8.032 222 HG22 VAL 36 HG22 VAL 36 -14.025 -11.999 -9.668 223 HG23 VAL 36 HG23 VAL 36 -15.387 -13.004 -9.174 224 H SER 37 HN SER 37 -17.144 -8.566 -7.660 225 HA SER 37 HA SER 37 -19.688 -7.696 -8.458 226 HB2 SER 37 HB2 SER 37 -18.100 -6.636 -6.725 227 HB3 SER 37 HB1 SER 37 -17.355 -5.820 -8.096 228 HG SER 37 HG SER 37 -18.953 -4.485 -7.426 229 H GLN 38 HN GLN 38 -20.399 -6.483 -10.192 230 HA GLN 38 HA GLN 38 -19.469 -7.036 -12.714 231 HB2 GLN 38 HB2 GLN 38 -21.069 -4.715 -11.646 232 HB3 GLN 38 HB1 GLN 38 -20.664 -4.822 -13.358 233 HG2 GLN 38 HG2 GLN 38 -21.960 -7.120 -11.882 234 HG3 GLN 38 HG1 GLN 38 -22.909 -5.845 -12.642 235 HE21 GLN 38 HE21 GLN 38 -21.942 -5.385 -15.059 236 HE22 GLN 38 HE22 GLN 38 -21.738 -6.795 -15.982 237 H ALA 39 HN ALA 39 -18.821 -4.036 -10.891 238 HA ALA 39 HA ALA 39 -17.076 -2.916 -12.800 239 HB1 ALA 39 HB1 ALA 39 -17.050 -2.550 -9.785 240 HB2 ALA 39 HB2 ALA 39 -18.017 -1.609 -10.921 241 HB3 ALA 39 HB3 ALA 39 -16.258 -1.493 -10.954 242 H THR 40 HN THR 40 -16.317 -4.725 -9.820 243 HA THR 40 HA THR 40 -13.544 -4.859 -10.220 244 HB THR 40 HB THR 40 -15.348 -6.799 -8.761 245 HG1 THR 40 HG1 THR 40 -14.903 -5.501 -7.000 246 HG21 THR 40 HG21 THR 40 -12.364 -6.288 -8.623 247 HG22 THR 40 HG22 THR 40 -13.162 -7.781 -9.117 248 HG23 THR 40 HG23 THR 40 -13.259 -7.242 -7.442 249 H ARG 41 HN ARG 41 -16.155 -6.665 -11.624 250 HA ARG 41 HA ARG 41 -14.642 -8.944 -12.430 251 HB2 ARG 41 HB2 ARG 41 -17.136 -8.899 -12.260 252 HB3 ARG 41 HB1 ARG 41 -17.172 -7.854 -13.680 253 HG2 ARG 41 HG2 ARG 41 -16.104 -9.565 -15.033 254 HG3 ARG 41 HG1 ARG 41 -15.883 -10.596 -13.619 255 HD2 ARG 41 HD2 ARG 41 -17.823 -11.414 -14.773 256 HD3 ARG 41 HD1 ARG 41 -18.397 -10.576 -13.333 257 HE ARG 41 HE ARG 41 -18.431 -8.642 -15.265 258 HH11 ARG 41 HH21 ARG 41 -19.681 -11.856 -14.972 259 HH12 ARG 41 HH22 ARG 41 -21.054 -11.561 -15.986 260 HH21 ARG 41 HH11 ARG 41 -20.231 -8.250 -16.594 261 HH22 ARG 41 HH12 ARG 41 -21.366 -9.520 -16.903 262 H ASN 42 HN ASN 42 -15.553 -5.909 -14.022 263 HA ASN 42 HA ASN 42 -14.448 -6.545 -16.547 264 HB2 ASN 42 HB2 ASN 42 -16.078 -4.697 -16.123 265 HB3 ASN 42 HB1 ASN 42 -14.784 -3.794 -15.334 266 HD21 ASN 42 HD21 ASN 42 -15.979 -2.690 -17.628 267 HD22 ASN 42 HD22 ASN 42 -14.880 -2.754 -18.921 268 H ARG 43 HN ARG 43 -13.090 -5.164 -13.620 269 HA ARG 43 HA ARG 43 -10.636 -4.285 -14.765 270 HB2 ARG 43 HB2 ARG 43 -11.586 -3.558 -12.536 271 HB3 ARG 43 HB1 ARG 43 -11.092 -5.127 -11.898 272 HG2 ARG 43 HG2 ARG 43 -8.755 -4.633 -12.692 273 HG3 ARG 43 HG1 ARG 43 -9.296 -3.005 -13.104 274 HD2 ARG 43 HD2 ARG 43 -9.290 -4.282 -10.358 275 HD3 ARG 43 HD1 ARG 43 -8.309 -2.923 -10.899 276 HE ARG 43 HE ARG 43 -11.166 -2.480 -11.109 277 HH11 ARG 43 HH21 ARG 43 -8.328 -2.316 -9.135 278 HH12 ARG 43 HH22 ARG 43 -8.954 -1.080 -8.095 279 HH21 ARG 43 HH11 ARG 43 -11.993 -0.858 -9.751 280 HH22 ARG 43 HH12 ARG 43 -11.029 -0.254 -8.445 281 H VAL 44 HN VAL 44 -11.649 -7.255 -13.119 282 HA VAL 44 HA VAL 44 -9.165 -8.545 -13.033 283 HB VAL 44 HB VAL 44 -11.992 -9.603 -13.208 284 HG11 VAL 44 HG11 VAL 44 -9.374 -11.098 -12.938 285 HG12 VAL 44 HG12 VAL 44 -10.671 -11.382 -14.099 286 HG13 VAL 44 HG13 VAL 44 -10.911 -11.772 -12.398 287 HG21 VAL 44 HG21 VAL 44 -11.092 -8.326 -11.165 288 HG22 VAL 44 HG22 VAL 44 -10.025 -9.707 -10.912 289 HG23 VAL 44 HG23 VAL 44 -11.775 -9.922 -10.858 290 H GLU 45 HN GLU 45 -11.739 -8.735 -15.499 291 HA GLU 45 HA GLU 45 -10.560 -10.511 -17.256 292 HB2 GLU 45 HB2 GLU 45 -12.835 -9.639 -17.573 293 HB3 GLU 45 HB1 GLU 45 -12.184 -8.048 -17.966 294 HG2 GLU 45 HG2 GLU 45 -11.313 -10.482 -19.526 295 HG3 GLU 45 HG1 GLU 45 -12.821 -9.663 -19.919 296 H LYS 46 HN LYS 46 -10.157 -6.957 -17.214 297 HA LYS 46 HA LYS 46 -8.236 -6.945 -19.327 298 HB2 LYS 46 HB2 LYS 46 -9.671 -4.987 -18.583 299 HB3 LYS 46 HB1 LYS 46 -8.591 -4.826 -17.198 300 HG2 LYS 46 HG2 LYS 46 -6.670 -4.760 -18.913 301 HG3 LYS 46 HG1 LYS 46 -7.920 -4.509 -20.132 302 HD2 LYS 46 HD2 LYS 46 -7.481 -2.774 -17.681 303 HD3 LYS 46 HD1 LYS 46 -7.010 -2.355 -19.328 304 HE2 LYS 46 HE2 LYS 46 -9.487 -2.728 -19.943 305 HE3 LYS 46 HE1 LYS 46 -9.796 -2.676 -18.208 306 HZ1 LYS 46 HZ1 LYS 46 -8.757 -0.551 -19.965 307 HZ2 LYS 46 HZ2 LYS 46 -8.436 -0.520 -18.297 308 HZ3 LYS 46 HZ3 LYS 46 -10.039 -0.486 -18.857 309 H ALA 47 HN ALA 47 -8.024 -6.973 -15.794 310 HA ALA 47 HA ALA 47 -5.222 -6.595 -15.611 311 HB1 ALA 47 HB1 ALA 47 -6.902 -8.144 -13.640 312 HB2 ALA 47 HB2 ALA 47 -6.955 -6.385 -13.749 313 HB3 ALA 47 HB3 ALA 47 -5.448 -7.197 -13.327 314 H ALA 48 HN ALA 48 -7.176 -9.338 -16.409 315 HA ALA 48 HA ALA 48 -5.239 -11.350 -15.748 316 HB1 ALA 48 HB1 ALA 48 -7.657 -11.841 -15.949 317 HB2 ALA 48 HB2 ALA 48 -6.679 -12.864 -17.002 318 HB3 ALA 48 HB3 ALA 48 -7.568 -11.497 -17.676 319 H ARG 49 HN ARG 49 -6.061 -9.522 -18.667 320 HA ARG 49 HA ARG 49 -4.363 -10.981 -20.425 321 HB2 ARG 49 HB2 ARG 49 -6.171 -9.608 -21.304 322 HB3 ARG 49 HB1 ARG 49 -5.448 -8.159 -20.605 323 HG2 ARG 49 HG2 ARG 49 -3.545 -8.297 -22.065 324 HG3 ARG 49 HG1 ARG 49 -4.000 -9.913 -22.606 325 HD2 ARG 49 HD2 ARG 49 -4.571 -8.036 -24.218 326 HD3 ARG 49 HD1 ARG 49 -5.917 -9.079 -23.773 327 HE ARG 49 HE ARG 49 -5.925 -6.966 -21.960 328 HH11 ARG 49 HH21 ARG 49 -6.192 -7.472 -25.373 329 HH12 ARG 49 HH22 ARG 49 -7.215 -6.100 -25.636 330 HH21 ARG 49 HH11 ARG 49 -7.267 -5.164 -22.298 331 HH22 ARG 49 HH12 ARG 49 -7.823 -4.793 -23.896 332 H GLU 50 HN GLU 50 -3.932 -8.126 -18.396 333 HA GLU 50 HA GLU 50 -1.430 -7.296 -19.354 334 HB2 GLU 50 HB2 GLU 50 -3.006 -6.116 -17.686 335 HB3 GLU 50 HB1 GLU 50 -2.249 -7.124 -16.451 336 HG2 GLU 50 HG2 GLU 50 -0.011 -6.280 -17.261 337 HG3 GLU 50 HG1 GLU 50 -0.883 -5.139 -18.284 338 H VAL 51 HN VAL 51 -2.237 -9.450 -16.630 339 HA VAL 51 HA VAL 51 0.544 -10.203 -16.268 340 HB VAL 51 HB VAL 51 -2.015 -11.167 -14.960 341 HG11 VAL 51 HG11 VAL 51 -0.560 -13.006 -14.786 342 HG12 VAL 51 HG12 VAL 51 -0.298 -12.128 -13.281 343 HG13 VAL 51 HG13 VAL 51 0.864 -11.989 -14.600 344 HG21 VAL 51 HG21 VAL 51 -0.865 -9.982 -12.985 345 HG22 VAL 51 HG22 VAL 51 -1.537 -8.949 -14.244 346 HG23 VAL 51 HG23 VAL 51 0.197 -9.252 -14.186 347 H GLY 52 HN GLY 52 -2.224 -11.387 -17.986 348 HA2 GLY 52 HA2 GLY 52 -2.621 -13.331 -19.164 349 HA3 GLY 52 HA1 GLY 52 -0.977 -13.048 -19.717 350 H TYR 53 HN TYR 53 -1.984 -13.922 -16.422 351 HA TYR 53 HA TYR 53 -0.904 -16.637 -16.800 352 HB2 TYR 53 HB2 TYR 53 0.766 -14.781 -15.788 353 HB3 TYR 53 HB1 TYR 53 -0.072 -15.208 -14.299 354 HD1 TYR 53 HD2 TYR 53 1.807 -16.652 -17.181 355 HD2 TYR 53 HD1 TYR 53 0.427 -17.226 -13.155 356 HE1 TYR 53 HE2 TYR 53 3.181 -18.710 -17.004 357 HE2 TYR 53 HE1 TYR 53 1.802 -19.283 -12.976 358 HH TYR 53 HH TYR 53 4.247 -20.050 -15.121 359 H LEU 54 HN LEU 54 -2.491 -17.944 -16.193 360 HA LEU 54 HA LEU 54 -3.708 -17.655 -13.582 361 HB2 LEU 54 HB2 LEU 54 -6.053 -17.824 -14.585 362 HB3 LEU 54 HB1 LEU 54 -5.272 -16.252 -14.644 363 HG LEU 54 HG LEU 54 -4.533 -17.678 -17.051 364 HD11 LEU 54 HD11 LEU 54 -7.531 -17.484 -16.717 365 HD12 LEU 54 HD12 LEU 54 -6.640 -18.991 -16.524 366 HD13 LEU 54 HD13 LEU 54 -6.637 -18.161 -18.079 367 HD21 LEU 54 HD21 LEU 54 -5.500 -15.771 -18.160 368 HD22 LEU 54 HD22 LEU 54 -4.767 -15.178 -16.669 369 HD23 LEU 54 HD23 LEU 54 -6.513 -15.401 -16.764 370 HA PRO 55 HA PRO 55 -2.675 -21.955 -15.262 371 HB2 PRO 55 HB2 PRO 55 -2.270 -22.078 -12.283 372 HB3 PRO 55 HB1 PRO 55 -1.341 -22.864 -13.576 373 HG2 PRO 55 HG2 PRO 55 -0.409 -20.682 -12.374 374 HG3 PRO 55 HG1 PRO 55 -0.198 -20.920 -14.119 375 HD2 PRO 55 HD2 PRO 55 -2.043 -19.053 -12.690 376 HD3 PRO 55 HD1 PRO 55 -1.292 -18.889 -14.293 Start of MODEL 2 1 H ALA 9 HT1 ALA 9 9.140 -11.724 -12.083 2 HA ALA 9 HA ALA 9 7.042 -12.102 -13.067 3 HB1 ALA 9 HB1 ALA 9 8.465 -14.105 -12.578 4 HB2 ALA 9 HB2 ALA 9 6.742 -14.477 -12.633 5 HB3 ALA 9 HB3 ALA 9 7.562 -14.331 -11.079 6 H ALA 10 HN ALA 10 4.873 -11.882 -12.916 7 HA ALA 10 HA ALA 10 3.715 -11.418 -10.239 8 HB1 ALA 10 HB1 ALA 10 2.861 -10.635 -13.029 9 HB2 ALA 10 HB2 ALA 10 3.315 -9.578 -11.692 10 HB3 ALA 10 HB3 ALA 10 1.798 -10.473 -11.632 11 H THR 11 HN THR 11 1.393 -12.128 -10.005 12 HA THR 11 HA THR 11 0.731 -14.597 -11.454 13 HB THR 11 HB THR 11 0.825 -14.436 -8.430 14 HG1 THR 11 HG1 THR 11 2.425 -16.167 -9.895 15 HG21 THR 11 HG21 THR 11 -0.907 -15.934 -9.380 16 HG22 THR 11 HG22 THR 11 0.361 -16.837 -8.553 17 HG23 THR 11 HG23 THR 11 0.338 -16.760 -10.314 18 H MET 12 HN MET 12 -1.477 -15.098 -11.432 19 HA MET 12 HA MET 12 -3.300 -13.046 -11.515 20 HB2 MET 12 HB2 MET 12 -3.620 -15.432 -12.303 21 HB3 MET 12 HB1 MET 12 -4.005 -15.849 -10.634 22 HG2 MET 12 HG2 MET 12 -6.093 -15.412 -11.745 23 HG3 MET 12 HG1 MET 12 -5.771 -14.035 -10.692 24 HE1 MET 12 HE1 MET 12 -7.572 -12.340 -13.472 25 HE2 MET 12 HE2 MET 12 -7.740 -13.471 -12.133 26 HE3 MET 12 HE3 MET 12 -7.686 -14.077 -13.786 27 H LYS 13 HN LYS 13 -2.168 -14.818 -8.721 28 HA LYS 13 HA LYS 13 -4.223 -13.892 -6.941 29 HB2 LYS 13 HB2 LYS 13 -1.532 -15.199 -6.517 30 HB3 LYS 13 HB1 LYS 13 -2.563 -14.700 -5.175 31 HG2 LYS 13 HG2 LYS 13 -4.365 -16.132 -5.958 32 HG3 LYS 13 HG1 LYS 13 -3.452 -16.546 -7.409 33 HD2 LYS 13 HD2 LYS 13 -1.682 -17.553 -5.979 34 HD3 LYS 13 HD1 LYS 13 -2.666 -17.205 -4.556 35 HE2 LYS 13 HE2 LYS 13 -3.152 -19.470 -5.114 36 HE3 LYS 13 HE1 LYS 13 -4.529 -18.540 -5.701 37 HZ1 LYS 13 HZ1 LYS 13 -2.726 -20.143 -7.163 38 HZ2 LYS 13 HZ2 LYS 13 -2.643 -18.543 -7.730 39 HZ3 LYS 13 HZ3 LYS 13 -4.132 -19.362 -7.702 40 H ASP 14 HN ASP 14 -0.886 -12.881 -7.670 41 HA ASP 14 HA ASP 14 -0.685 -10.919 -5.679 42 HB2 ASP 14 HB2 ASP 14 0.639 -11.158 -8.383 43 HB3 ASP 14 HB1 ASP 14 1.079 -9.942 -7.187 44 H VAL 15 HN VAL 15 -2.081 -10.866 -8.903 45 HA VAL 15 HA VAL 15 -2.363 -8.081 -9.178 46 HB VAL 15 HB VAL 15 -3.898 -10.421 -10.321 47 HG11 VAL 15 HG11 VAL 15 -4.224 -7.456 -10.828 48 HG12 VAL 15 HG12 VAL 15 -5.472 -8.622 -10.384 49 HG13 VAL 15 HG13 VAL 15 -4.739 -8.684 -11.986 50 HG21 VAL 15 HG21 VAL 15 -1.497 -10.028 -10.980 51 HG22 VAL 15 HG22 VAL 15 -1.982 -8.451 -11.599 52 HG23 VAL 15 HG23 VAL 15 -2.633 -9.920 -12.324 53 H ALA 16 HN ALA 16 -4.437 -10.539 -7.698 54 HA ALA 16 HA ALA 16 -6.727 -9.039 -7.222 55 HB1 ALA 16 HB1 ALA 16 -5.519 -11.049 -5.308 56 HB2 ALA 16 HB2 ALA 16 -6.460 -11.480 -6.734 57 HB3 ALA 16 HB3 ALA 16 -7.215 -10.579 -5.421 58 H LEU 17 HN LEU 17 -3.728 -9.216 -5.349 59 HA LEU 17 HA LEU 17 -4.534 -7.656 -3.160 60 HB2 LEU 17 HB2 LEU 17 -2.456 -8.999 -3.220 61 HB3 LEU 17 HB1 LEU 17 -1.775 -7.868 -4.387 62 HG LEU 17 HG LEU 17 -2.037 -6.031 -2.722 63 HD11 LEU 17 HD11 LEU 17 -3.750 -6.625 -1.240 64 HD12 LEU 17 HD12 LEU 17 -2.330 -7.006 -0.272 65 HD13 LEU 17 HD13 LEU 17 -3.199 -8.296 -1.105 66 HD21 LEU 17 HD21 LEU 17 0.099 -7.221 -2.905 67 HD22 LEU 17 HD22 LEU 17 -0.482 -8.475 -1.809 68 HD23 LEU 17 HD23 LEU 17 -0.215 -6.838 -1.210 69 H LYS 18 HN LYS 18 -3.087 -6.741 -6.266 70 HA LYS 18 HA LYS 18 -2.802 -3.984 -5.717 71 HB2 LYS 18 HB2 LYS 18 -1.676 -5.120 -7.597 72 HB3 LYS 18 HB1 LYS 18 -3.239 -5.352 -8.382 73 HG2 LYS 18 HG2 LYS 18 -3.549 -3.011 -8.698 74 HG3 LYS 18 HG1 LYS 18 -2.259 -2.609 -7.564 75 HD2 LYS 18 HD2 LYS 18 -1.536 -2.325 -9.924 76 HD3 LYS 18 HD1 LYS 18 -0.589 -3.556 -9.090 77 HE2 LYS 18 HE2 LYS 18 -1.729 -5.330 -10.175 78 HE3 LYS 18 HE1 LYS 18 -3.042 -4.275 -10.699 79 HZ1 LYS 18 HZ1 LYS 18 -0.928 -3.078 -11.806 80 HZ2 LYS 18 HZ2 LYS 18 -1.891 -4.229 -12.603 81 HZ3 LYS 18 HZ3 LYS 18 -0.430 -4.699 -11.871 82 H ALA 19 HN ALA 19 -5.504 -5.914 -6.867 83 HA ALA 19 HA ALA 19 -7.166 -3.480 -7.162 84 HB1 ALA 19 HB1 ALA 19 -7.408 -4.739 -9.114 85 HB2 ALA 19 HB2 ALA 19 -8.791 -5.272 -8.159 86 HB3 ALA 19 HB3 ALA 19 -7.341 -6.275 -8.254 87 H LYS 20 HN LYS 20 -6.333 -5.462 -4.761 88 HA LYS 20 HA LYS 20 -7.360 -6.340 -2.868 89 HB2 LYS 20 HB2 LYS 20 -8.912 -3.764 -3.216 90 HB3 LYS 20 HB1 LYS 20 -8.760 -4.684 -1.717 91 HG2 LYS 20 HG2 LYS 20 -6.288 -4.377 -1.805 92 HG3 LYS 20 HG1 LYS 20 -6.479 -3.392 -3.258 93 HD2 LYS 20 HD2 LYS 20 -7.938 -1.840 -1.981 94 HD3 LYS 20 HD1 LYS 20 -7.650 -2.796 -0.528 95 HE2 LYS 20 HE2 LYS 20 -5.567 -1.310 -2.156 96 HE3 LYS 20 HE1 LYS 20 -6.116 -0.907 -0.529 97 HZ1 LYS 20 HZ1 LYS 20 -4.338 -3.040 -1.418 98 HZ2 LYS 20 HZ2 LYS 20 -5.393 -3.406 -0.138 99 HZ3 LYS 20 HZ3 LYS 20 -4.298 -2.115 0.003 100 H VAL 21 HN VAL 21 -8.385 -7.588 -5.049 101 HA VAL 21 HA VAL 21 -11.222 -7.446 -5.260 102 HB VAL 21 HB VAL 21 -9.308 -9.660 -6.017 103 HG11 VAL 21 HG11 VAL 21 -11.212 -10.247 -7.592 104 HG12 VAL 21 HG12 VAL 21 -12.219 -9.146 -6.654 105 HG13 VAL 21 HG13 VAL 21 -11.521 -10.570 -5.889 106 HG21 VAL 21 HG21 VAL 21 -9.036 -7.329 -7.060 107 HG22 VAL 21 HG22 VAL 21 -10.611 -7.596 -7.803 108 HG23 VAL 21 HG23 VAL 21 -9.262 -8.669 -8.183 109 H SER 22 HN SER 22 -9.537 -10.399 -4.373 110 HA SER 22 HA SER 22 -10.321 -10.730 -1.744 111 HB2 SER 22 HB2 SER 22 -12.616 -10.653 -2.077 112 HB3 SER 22 HB1 SER 22 -12.499 -11.288 -3.715 113 HG SER 22 HG SER 22 -13.126 -12.620 -1.587 114 H THR 23 HN THR 23 -9.251 -12.449 -1.018 115 HA THR 23 HA THR 23 -7.739 -14.100 -2.722 116 HB THR 23 HB THR 23 -8.483 -14.621 0.161 117 HG1 THR 23 HG1 THR 23 -6.061 -13.495 -0.504 118 HG21 THR 23 HG21 THR 23 -7.450 -16.542 -0.932 119 HG22 THR 23 HG22 THR 23 -6.287 -15.798 0.166 120 HG23 THR 23 HG23 THR 23 -6.165 -15.518 -1.572 121 H ALA 24 HN ALA 24 -10.971 -14.504 -1.393 122 HA ALA 24 HA ALA 24 -11.080 -17.337 -1.956 123 HB1 ALA 24 HB1 ALA 24 -12.391 -16.254 -0.128 124 HB2 ALA 24 HB2 ALA 24 -13.388 -17.183 -1.248 125 HB3 ALA 24 HB3 ALA 24 -13.345 -15.423 -1.357 126 H THR 25 HN THR 25 -12.206 -14.363 -3.469 127 HA THR 25 HA THR 25 -13.867 -15.438 -5.444 128 HB THR 25 HB THR 25 -13.196 -13.370 -6.775 129 HG1 THR 25 HG1 THR 25 -11.453 -12.432 -6.148 130 HG21 THR 25 HG21 THR 25 -15.115 -13.382 -5.242 131 HG22 THR 25 HG22 THR 25 -14.268 -11.838 -5.150 132 HG23 THR 25 HG23 THR 25 -14.043 -13.044 -3.882 133 H VAL 26 HN VAL 26 -10.493 -14.362 -6.002 134 HA VAL 26 HA VAL 26 -10.171 -15.504 -8.500 135 HB VAL 26 HB VAL 26 -8.240 -14.884 -6.270 136 HG11 VAL 26 HG11 VAL 26 -7.132 -16.719 -7.338 137 HG12 VAL 26 HG12 VAL 26 -6.417 -15.259 -8.022 138 HG13 VAL 26 HG13 VAL 26 -7.617 -16.168 -8.942 139 HG21 VAL 26 HG21 VAL 26 -9.158 -12.987 -7.487 140 HG22 VAL 26 HG22 VAL 26 -8.750 -13.736 -9.031 141 HG23 VAL 26 HG23 VAL 26 -7.469 -13.195 -7.949 142 H SER 27 HN SER 27 -10.260 -17.040 -5.386 143 HA SER 27 HA SER 27 -9.022 -19.499 -6.244 144 HB2 SER 27 HB2 SER 27 -9.309 -20.219 -4.055 145 HB3 SER 27 HB1 SER 27 -9.334 -18.475 -3.813 146 HG SER 27 HG SER 27 -11.773 -19.086 -4.423 147 H ARG 28 HN ARG 28 -12.264 -18.189 -6.087 148 HA ARG 28 HA ARG 28 -13.556 -20.730 -6.639 149 HB2 ARG 28 HB2 ARG 28 -14.543 -17.880 -6.476 150 HB3 ARG 28 HB1 ARG 28 -15.587 -19.227 -6.930 151 HG2 ARG 28 HG2 ARG 28 -15.011 -20.369 -4.807 152 HG3 ARG 28 HG1 ARG 28 -14.020 -18.986 -4.349 153 HD2 ARG 28 HD2 ARG 28 -16.086 -17.545 -4.619 154 HD3 ARG 28 HD1 ARG 28 -17.014 -19.031 -4.797 155 HE ARG 28 HE ARG 28 -15.527 -19.279 -2.446 156 HH11 ARG 28 HH21 ARG 28 -17.990 -17.258 -3.800 157 HH12 ARG 28 HH22 ARG 28 -18.720 -16.888 -2.274 158 HH21 ARG 28 HH11 ARG 28 -16.480 -18.796 -0.439 159 HH22 ARG 28 HH12 ARG 28 -17.865 -17.759 -0.371 160 H ALA 29 HN ALA 29 -12.107 -18.184 -8.394 161 HA ALA 29 HA ALA 29 -13.490 -18.075 -10.778 162 HB1 ALA 29 HB1 ALA 29 -11.324 -17.506 -11.836 163 HB2 ALA 29 HB2 ALA 29 -10.491 -18.030 -10.374 164 HB3 ALA 29 HB3 ALA 29 -11.575 -16.639 -10.322 165 H LEU 30 HN LEU 30 -11.754 -20.748 -9.464 166 HA LEU 30 HA LEU 30 -11.574 -22.110 -12.071 167 HB2 LEU 30 HB2 LEU 30 -10.425 -22.647 -9.335 168 HB3 LEU 30 HB1 LEU 30 -10.449 -23.903 -10.571 169 HG LEU 30 HG LEU 30 -9.210 -22.425 -12.108 170 HD11 LEU 30 HD11 LEU 30 -9.843 -20.232 -11.504 171 HD12 LEU 30 HD12 LEU 30 -8.166 -20.340 -10.976 172 HD13 LEU 30 HD13 LEU 30 -9.472 -20.495 -9.801 173 HD21 LEU 30 HD21 LEU 30 -7.856 -23.884 -10.767 174 HD22 LEU 30 HD22 LEU 30 -8.031 -22.848 -9.351 175 HD23 LEU 30 HD23 LEU 30 -7.072 -22.304 -10.728 176 H MET 31 HN MET 31 -13.668 -21.846 -9.417 177 HA MET 31 HA MET 31 -14.998 -24.416 -10.108 178 HB2 MET 31 HB2 MET 31 -14.859 -22.996 -7.438 179 HB3 MET 31 HB1 MET 31 -15.853 -24.415 -7.775 180 HG2 MET 31 HG2 MET 31 -12.864 -24.368 -8.239 181 HG3 MET 31 HG1 MET 31 -13.584 -24.892 -6.717 182 HE1 MET 31 HE1 MET 31 -12.889 -27.624 -6.773 183 HE2 MET 31 HE2 MET 31 -11.802 -26.589 -7.694 184 HE3 MET 31 HE3 MET 31 -12.352 -28.113 -8.386 185 H ASN 32 HN ASN 32 -15.601 -21.178 -8.734 186 HA ASN 32 HA ASN 32 -18.176 -21.092 -10.204 187 HB2 ASN 32 HB2 ASN 32 -18.389 -21.523 -7.697 188 HB3 ASN 32 HB1 ASN 32 -17.765 -19.891 -7.470 189 HD21 ASN 32 HD21 ASN 32 -20.415 -21.678 -9.118 190 HD22 ASN 32 HD22 ASN 32 -21.511 -20.384 -9.075 191 HA PRO 33 HA PRO 33 -15.691 -17.300 -11.064 192 HB2 PRO 33 HB2 PRO 33 -15.716 -17.395 -13.765 193 HB3 PRO 33 HB1 PRO 33 -14.607 -18.397 -12.809 194 HG2 PRO 33 HG2 PRO 33 -17.159 -19.158 -14.152 195 HG3 PRO 33 HG1 PRO 33 -15.646 -20.070 -14.011 196 HD2 PRO 33 HD2 PRO 33 -17.894 -20.456 -12.392 197 HD3 PRO 33 HD1 PRO 33 -16.245 -20.966 -11.968 198 H ASP 34 HN ASP 34 -18.079 -16.852 -10.099 199 HA ASP 34 HA ASP 34 -19.204 -14.832 -11.823 200 HB2 ASP 34 HB2 ASP 34 -20.295 -17.008 -12.565 201 HB3 ASP 34 HB1 ASP 34 -21.049 -17.066 -10.971 202 H LYS 35 HN LYS 35 -17.952 -14.640 -9.358 203 HA LYS 35 HA LYS 35 -20.193 -13.858 -7.575 204 HB2 LYS 35 HB2 LYS 35 -17.518 -15.033 -6.776 205 HB3 LYS 35 HB1 LYS 35 -18.734 -14.424 -5.655 206 HG2 LYS 35 HG2 LYS 35 -19.510 -16.524 -7.680 207 HG3 LYS 35 HG1 LYS 35 -18.645 -17.004 -6.223 208 HD2 LYS 35 HD2 LYS 35 -20.381 -15.895 -4.838 209 HD3 LYS 35 HD1 LYS 35 -21.265 -15.473 -6.303 210 HE2 LYS 35 HE2 LYS 35 -22.088 -17.569 -5.155 211 HE3 LYS 35 HE1 LYS 35 -21.633 -17.791 -6.844 212 HZ1 LYS 35 HZ1 LYS 35 -19.689 -18.240 -4.670 213 HZ2 LYS 35 HZ2 LYS 35 -19.664 -18.837 -6.261 214 HZ3 LYS 35 HZ3 LYS 35 -20.772 -19.459 -5.135 215 H VAL 36 HN VAL 36 -17.217 -13.040 -9.113 216 HA VAL 36 HA VAL 36 -16.445 -10.868 -7.460 217 HB VAL 36 HB VAL 36 -15.881 -10.953 -10.418 218 HG11 VAL 36 HG11 VAL 36 -15.017 -9.161 -8.790 219 HG12 VAL 36 HG12 VAL 36 -13.811 -9.966 -9.791 220 HG13 VAL 36 HG13 VAL 36 -14.010 -10.433 -8.101 221 HG21 VAL 36 HG21 VAL 36 -14.893 -12.856 -8.287 222 HG22 VAL 36 HG22 VAL 36 -13.945 -12.522 -9.736 223 HG23 VAL 36 HG23 VAL 36 -15.551 -13.240 -9.876 224 H SER 37 HN SER 37 -16.933 -8.702 -7.578 225 HA SER 37 HA SER 37 -19.486 -7.941 -8.418 226 HB2 SER 37 HB2 SER 37 -17.247 -5.954 -8.128 227 HB3 SER 37 HB1 SER 37 -18.947 -5.774 -7.704 228 HG SER 37 HG SER 37 -17.873 -6.161 -5.819 229 H GLN 38 HN GLN 38 -20.270 -6.853 -10.181 230 HA GLN 38 HA GLN 38 -19.324 -7.404 -12.697 231 HB2 GLN 38 HB2 GLN 38 -21.046 -5.148 -11.676 232 HB3 GLN 38 HB1 GLN 38 -20.663 -5.299 -13.390 233 HG2 GLN 38 HG2 GLN 38 -21.762 -7.388 -13.573 234 HG3 GLN 38 HG1 GLN 38 -21.786 -7.628 -11.829 235 HE21 GLN 38 HE21 GLN 38 -23.913 -7.449 -11.121 236 HE22 GLN 38 HE22 GLN 38 -25.015 -6.272 -11.649 237 H ALA 39 HN ALA 39 -18.847 -4.318 -10.949 238 HA ALA 39 HA ALA 39 -17.205 -3.129 -12.895 239 HB1 ALA 39 HB1 ALA 39 -17.109 -2.740 -9.885 240 HB2 ALA 39 HB2 ALA 39 -18.173 -1.870 -10.991 241 HB3 ALA 39 HB3 ALA 39 -16.426 -1.644 -11.085 242 H THR 40 HN THR 40 -16.296 -4.899 -9.943 243 HA THR 40 HA THR 40 -13.519 -4.903 -10.425 244 HB THR 40 HB THR 40 -15.208 -6.834 -8.825 245 HG1 THR 40 HG1 THR 40 -13.662 -4.659 -7.909 246 HG21 THR 40 HG21 THR 40 -13.047 -7.821 -9.224 247 HG22 THR 40 HG22 THR 40 -13.032 -7.165 -7.586 248 HG23 THR 40 HG23 THR 40 -12.230 -6.294 -8.891 249 H ARG 41 HN ARG 41 -16.093 -6.781 -11.750 250 HA ARG 41 HA ARG 41 -14.554 -9.074 -12.511 251 HB2 ARG 41 HB2 ARG 41 -17.074 -9.019 -12.315 252 HB3 ARG 41 HB1 ARG 41 -17.101 -8.075 -13.801 253 HG2 ARG 41 HG2 ARG 41 -17.373 -10.237 -14.638 254 HG3 ARG 41 HG1 ARG 41 -15.628 -10.048 -14.759 255 HD2 ARG 41 HD2 ARG 41 -15.309 -11.258 -12.668 256 HD3 ARG 41 HD1 ARG 41 -17.049 -11.343 -12.414 257 HE ARG 41 HE ARG 41 -16.770 -12.554 -14.812 258 HH11 ARG 41 HH21 ARG 41 -15.120 -12.867 -11.785 259 HH12 ARG 41 HH22 ARG 41 -14.754 -14.547 -12.001 260 HH21 ARG 41 HH11 ARG 41 -16.291 -14.755 -15.103 261 HH22 ARG 41 HH12 ARG 41 -15.417 -15.616 -13.879 262 H ASN 42 HN ASN 42 -15.517 -6.073 -14.145 263 HA ASN 42 HA ASN 42 -14.382 -6.760 -16.662 264 HB2 ASN 42 HB2 ASN 42 -15.096 -4.091 -15.435 265 HB3 ASN 42 HB1 ASN 42 -14.557 -4.291 -17.103 266 HD21 ASN 42 HD21 ASN 42 -16.810 -6.276 -15.100 267 HD22 ASN 42 HD22 ASN 42 -18.104 -6.163 -16.194 268 H ARG 43 HN ARG 43 -13.157 -5.128 -13.799 269 HA ARG 43 HA ARG 43 -10.721 -4.208 -14.947 270 HB2 ARG 43 HB2 ARG 43 -11.786 -3.400 -12.783 271 HB3 ARG 43 HB1 ARG 43 -11.175 -4.876 -12.036 272 HG2 ARG 43 HG2 ARG 43 -8.875 -4.236 -12.889 273 HG3 ARG 43 HG1 ARG 43 -9.559 -2.675 -13.343 274 HD2 ARG 43 HD2 ARG 43 -9.411 -3.866 -10.565 275 HD3 ARG 43 HD1 ARG 43 -8.576 -2.431 -11.153 276 HE ARG 43 HE ARG 43 -11.277 -2.553 -10.204 277 HH11 ARG 43 HH21 ARG 43 -9.135 -1.039 -12.461 278 HH12 ARG 43 HH22 ARG 43 -10.052 0.428 -12.557 279 HH21 ARG 43 HH11 ARG 43 -12.485 -0.633 -10.325 280 HH22 ARG 43 HH12 ARG 43 -11.948 0.658 -11.348 281 H VAL 44 HN VAL 44 -11.620 -7.097 -13.097 282 HA VAL 44 HA VAL 44 -9.069 -8.249 -12.903 283 HB VAL 44 HB VAL 44 -11.851 -9.424 -12.948 284 HG11 VAL 44 HG11 VAL 44 -10.683 -11.516 -12.050 285 HG12 VAL 44 HG12 VAL 44 -9.187 -10.832 -12.687 286 HG13 VAL 44 HG13 VAL 44 -10.514 -11.218 -13.781 287 HG21 VAL 44 HG21 VAL 44 -9.829 -9.384 -10.702 288 HG22 VAL 44 HG22 VAL 44 -11.578 -9.579 -10.598 289 HG23 VAL 44 HG23 VAL 44 -10.888 -8.008 -11.007 290 H GLU 45 HN GLU 45 -11.616 -8.701 -15.358 291 HA GLU 45 HA GLU 45 -10.397 -10.572 -16.975 292 HB2 GLU 45 HB2 GLU 45 -12.664 -9.793 -17.415 293 HB3 GLU 45 HB1 GLU 45 -12.059 -8.188 -17.835 294 HG2 GLU 45 HG2 GLU 45 -10.946 -9.014 -19.781 295 HG3 GLU 45 HG1 GLU 45 -11.175 -10.690 -19.285 296 H LYS 46 HN LYS 46 -10.034 -7.015 -17.205 297 HA LYS 46 HA LYS 46 -8.069 -7.159 -19.277 298 HB2 LYS 46 HB2 LYS 46 -9.550 -5.159 -18.712 299 HB3 LYS 46 HB1 LYS 46 -8.474 -4.871 -17.346 300 HG2 LYS 46 HG2 LYS 46 -7.468 -3.530 -18.979 301 HG3 LYS 46 HG1 LYS 46 -6.569 -5.030 -19.186 302 HD2 LYS 46 HD2 LYS 46 -7.974 -5.675 -21.066 303 HD3 LYS 46 HD1 LYS 46 -9.029 -4.287 -20.801 304 HE2 LYS 46 HE2 LYS 46 -6.075 -4.046 -21.418 305 HE3 LYS 46 HE1 LYS 46 -7.340 -3.962 -22.646 306 HZ1 LYS 46 HZ1 LYS 46 -6.870 -1.759 -22.007 307 HZ2 LYS 46 HZ2 LYS 46 -6.912 -2.137 -20.351 308 HZ3 LYS 46 HZ3 LYS 46 -8.345 -2.148 -21.264 309 H ALA 47 HN ALA 47 -7.956 -7.028 -15.761 310 HA ALA 47 HA ALA 47 -5.125 -6.616 -15.592 311 HB1 ALA 47 HB1 ALA 47 -6.813 -7.868 -13.432 312 HB2 ALA 47 HB2 ALA 47 -6.925 -6.146 -13.797 313 HB3 ALA 47 HB3 ALA 47 -5.392 -6.836 -13.266 314 H ALA 48 HN ALA 48 -7.189 -9.347 -16.065 315 HA ALA 48 HA ALA 48 -5.439 -11.383 -15.120 316 HB1 ALA 48 HB1 ALA 48 -6.935 -12.909 -16.121 317 HB2 ALA 48 HB2 ALA 48 -7.460 -11.738 -17.331 318 HB3 ALA 48 HB3 ALA 48 -7.952 -11.550 -15.648 319 H ARG 49 HN ARG 49 -5.912 -9.813 -18.252 320 HA ARG 49 HA ARG 49 -4.111 -11.515 -19.683 321 HB2 ARG 49 HB2 ARG 49 -5.945 -10.117 -20.714 322 HB3 ARG 49 HB1 ARG 49 -4.943 -8.697 -20.406 323 HG2 ARG 49 HG2 ARG 49 -3.089 -9.848 -21.706 324 HG3 ARG 49 HG1 ARG 49 -4.272 -11.070 -22.174 325 HD2 ARG 49 HD2 ARG 49 -4.280 -9.488 -23.948 326 HD3 ARG 49 HD1 ARG 49 -5.725 -9.133 -23.005 327 HE ARG 49 HE ARG 49 -3.542 -7.577 -22.060 328 HH11 ARG 49 HH21 ARG 49 -5.743 -7.928 -24.707 329 HH12 ARG 49 HH22 ARG 49 -5.708 -6.251 -25.137 330 HH21 ARG 49 HH11 ARG 49 -3.492 -5.377 -22.620 331 HH22 ARG 49 HH12 ARG 49 -4.434 -4.806 -23.955 332 H GLU 50 HN GLU 50 -3.818 -8.486 -17.920 333 HA GLU 50 HA GLU 50 -1.337 -7.602 -18.777 334 HB2 GLU 50 HB2 GLU 50 -2.941 -6.447 -17.192 335 HB3 GLU 50 HB1 GLU 50 -2.321 -7.502 -15.919 336 HG2 GLU 50 HG2 GLU 50 -1.017 -5.529 -15.759 337 HG3 GLU 50 HG1 GLU 50 0.012 -6.678 -16.608 338 H VAL 51 HN VAL 51 -2.079 -9.820 -16.077 339 HA VAL 51 HA VAL 51 0.719 -10.391 -15.629 340 HB VAL 51 HB VAL 51 -0.845 -10.393 -13.755 341 HG11 VAL 51 HG11 VAL 51 -2.106 -12.865 -14.948 342 HG12 VAL 51 HG12 VAL 51 -2.770 -11.254 -15.214 343 HG13 VAL 51 HG13 VAL 51 -2.668 -11.907 -13.579 344 HG21 VAL 51 HG21 VAL 51 -0.013 -13.262 -14.214 345 HG22 VAL 51 HG22 VAL 51 -0.053 -12.364 -12.697 346 HG23 VAL 51 HG23 VAL 51 1.174 -11.995 -13.908 347 H GLY 52 HN GLY 52 -1.533 -11.410 -17.878 348 HA2 GLY 52 HA2 GLY 52 -1.639 -13.156 -19.372 349 HA3 GLY 52 HA1 GLY 52 0.112 -13.195 -19.202 350 H TYR 53 HN TYR 53 -2.011 -13.794 -16.487 351 HA TYR 53 HA TYR 53 -1.615 -16.709 -16.708 352 HB2 TYR 53 HB2 TYR 53 0.189 -15.469 -15.264 353 HB3 TYR 53 HB1 TYR 53 -1.103 -15.323 -14.077 354 HD1 TYR 53 HD2 TYR 53 0.819 -17.774 -16.126 355 HD2 TYR 53 HD1 TYR 53 -1.750 -17.178 -12.736 356 HE1 TYR 53 HE2 TYR 53 1.234 -20.110 -15.402 357 HE2 TYR 53 HE1 TYR 53 -1.334 -19.512 -12.010 358 HH TYR 53 HH TYR 53 -0.219 -21.386 -12.405 359 H LEU 54 HN LEU 54 -3.633 -17.519 -16.626 360 HA LEU 54 HA LEU 54 -5.364 -16.831 -14.406 361 HB2 LEU 54 HB2 LEU 54 -7.301 -16.318 -15.963 362 HB3 LEU 54 HB1 LEU 54 -6.081 -15.062 -15.803 363 HG LEU 54 HG LEU 54 -5.211 -16.731 -17.966 364 HD11 LEU 54 HD11 LEU 54 -8.147 -16.025 -18.129 365 HD12 LEU 54 HD12 LEU 54 -7.435 -17.635 -18.221 366 HD13 LEU 54 HD13 LEU 54 -7.158 -16.475 -19.518 367 HD21 LEU 54 HD21 LEU 54 -5.433 -14.719 -19.282 368 HD22 LEU 54 HD22 LEU 54 -4.914 -14.244 -17.664 369 HD23 LEU 54 HD23 LEU 54 -6.600 -14.045 -18.145 370 HA PRO 55 HA PRO 55 -5.692 -21.118 -16.410 371 HB2 PRO 55 HB2 PRO 55 -4.468 -22.559 -14.419 372 HB3 PRO 55 HB1 PRO 55 -3.587 -21.865 -15.796 373 HG2 PRO 55 HG2 PRO 55 -3.887 -20.790 -13.018 374 HG3 PRO 55 HG1 PRO 55 -2.435 -20.883 -14.034 375 HD2 PRO 55 HD2 PRO 55 -3.846 -18.576 -13.768 376 HD3 PRO 55 HD1 PRO 55 -3.031 -19.008 -15.291 Start of MODEL 3 1 H ALA 9 HT1 ALA 9 6.642 -12.015 -14.251 2 HA ALA 9 HA ALA 9 5.682 -14.057 -14.468 3 HB1 ALA 9 HB1 ALA 9 7.561 -14.962 -12.266 4 HB2 ALA 9 HB2 ALA 9 7.706 -15.337 -13.983 5 HB3 ALA 9 HB3 ALA 9 6.362 -15.993 -13.047 6 H ALA 10 HN ALA 10 4.002 -12.608 -13.707 7 HA ALA 10 HA ALA 10 3.388 -12.633 -10.843 8 HB1 ALA 10 HB1 ALA 10 3.089 -10.530 -12.030 9 HB2 ALA 10 HB2 ALA 10 1.517 -11.137 -11.508 10 HB3 ALA 10 HB3 ALA 10 2.012 -11.306 -13.192 11 H THR 11 HN THR 11 0.844 -12.836 -10.490 12 HA THR 11 HA THR 11 -0.281 -15.077 -12.010 13 HB THR 11 HB THR 11 0.030 -15.168 -8.998 14 HG1 THR 11 HG1 THR 11 1.552 -16.806 -9.479 15 HG21 THR 11 HG21 THR 11 -0.776 -17.454 -9.242 16 HG22 THR 11 HG22 THR 11 -0.852 -17.269 -10.994 17 HG23 THR 11 HG23 THR 11 -1.940 -16.343 -9.961 18 H MET 12 HN MET 12 -2.531 -15.261 -11.813 19 HA MET 12 HA MET 12 -4.014 -12.933 -11.579 20 HB2 MET 12 HB2 MET 12 -4.811 -15.828 -11.268 21 HB3 MET 12 HB1 MET 12 -5.991 -14.517 -11.223 22 HG2 MET 12 HG2 MET 12 -5.267 -13.771 -13.451 23 HG3 MET 12 HG1 MET 12 -4.059 -15.055 -13.500 24 HE1 MET 12 HE1 MET 12 -5.367 -14.865 -15.704 25 HE2 MET 12 HE2 MET 12 -6.727 -15.906 -16.109 26 HE3 MET 12 HE3 MET 12 -5.157 -16.620 -15.753 27 H LYS 13 HN LYS 13 -2.868 -15.063 -9.093 28 HA LYS 13 HA LYS 13 -4.681 -14.194 -7.047 29 HB2 LYS 13 HB2 LYS 13 -3.625 -16.378 -6.893 30 HB3 LYS 13 HB1 LYS 13 -2.026 -15.635 -6.893 31 HG2 LYS 13 HG2 LYS 13 -2.374 -14.637 -4.761 32 HG3 LYS 13 HG1 LYS 13 -4.107 -14.952 -4.813 33 HD2 LYS 13 HD2 LYS 13 -3.055 -16.575 -3.331 34 HD3 LYS 13 HD1 LYS 13 -3.622 -17.403 -4.782 35 HE2 LYS 13 HE2 LYS 13 -1.429 -17.551 -5.686 36 HE3 LYS 13 HE1 LYS 13 -0.794 -16.360 -4.550 37 HZ1 LYS 13 HZ1 LYS 13 -0.389 -18.857 -4.123 38 HZ2 LYS 13 HZ2 LYS 13 -1.990 -18.859 -3.553 39 HZ3 LYS 13 HZ3 LYS 13 -0.827 -17.859 -2.821 40 H ASP 14 HN ASP 14 -1.322 -13.385 -7.934 41 HA ASP 14 HA ASP 14 -0.815 -11.669 -5.772 42 HB2 ASP 14 HB2 ASP 14 0.319 -11.790 -8.567 43 HB3 ASP 14 HB1 ASP 14 0.921 -10.682 -7.334 44 H VAL 15 HN VAL 15 -2.407 -11.151 -8.868 45 HA VAL 15 HA VAL 15 -2.419 -8.329 -8.787 46 HB VAL 15 HB VAL 15 -4.261 -10.302 -10.154 47 HG11 VAL 15 HG11 VAL 15 -4.766 -8.213 -11.594 48 HG12 VAL 15 HG12 VAL 15 -4.144 -7.285 -10.235 49 HG13 VAL 15 HG13 VAL 15 -5.551 -8.325 -10.021 50 HG21 VAL 15 HG21 VAL 15 -2.039 -10.436 -11.050 51 HG22 VAL 15 HG22 VAL 15 -1.848 -8.683 -11.018 52 HG23 VAL 15 HG23 VAL 15 -2.954 -9.428 -12.170 53 H ALA 16 HN ALA 16 -4.610 -10.771 -7.479 54 HA ALA 16 HA ALA 16 -6.778 -9.180 -6.777 55 HB1 ALA 16 HB1 ALA 16 -5.551 -11.499 -5.260 56 HB2 ALA 16 HB2 ALA 16 -6.841 -11.590 -6.459 57 HB3 ALA 16 HB3 ALA 16 -7.132 -10.805 -4.908 58 H LEU 17 HN LEU 17 -3.770 -9.781 -5.030 59 HA LEU 17 HA LEU 17 -4.267 -8.331 -2.704 60 HB2 LEU 17 HB2 LEU 17 -2.226 -9.772 -3.265 61 HB3 LEU 17 HB1 LEU 17 -1.594 -8.353 -4.096 62 HG LEU 17 HG LEU 17 -2.169 -7.117 -1.826 63 HD11 LEU 17 HD11 LEU 17 -1.779 -8.648 0.125 64 HD12 LEU 17 HD12 LEU 17 -1.902 -10.023 -0.970 65 HD13 LEU 17 HD13 LEU 17 -3.294 -8.974 -0.711 66 HD21 LEU 17 HD21 LEU 17 0.108 -7.425 -2.771 67 HD22 LEU 17 HD22 LEU 17 0.176 -9.035 -2.057 68 HD23 LEU 17 HD23 LEU 17 0.108 -7.613 -1.016 69 H LYS 18 HN LYS 18 -3.088 -7.213 -5.850 70 HA LYS 18 HA LYS 18 -2.664 -4.508 -5.049 71 HB2 LYS 18 HB2 LYS 18 -1.642 -5.629 -7.060 72 HB3 LYS 18 HB1 LYS 18 -3.220 -5.520 -7.842 73 HG2 LYS 18 HG2 LYS 18 -3.186 -3.039 -7.438 74 HG3 LYS 18 HG1 LYS 18 -1.541 -3.200 -6.829 75 HD2 LYS 18 HD2 LYS 18 -2.266 -4.267 -9.560 76 HD3 LYS 18 HD1 LYS 18 -1.893 -2.560 -9.338 77 HE2 LYS 18 HE2 LYS 18 -0.078 -4.882 -8.612 78 HE3 LYS 18 HE1 LYS 18 0.131 -3.786 -9.976 79 HZ1 LYS 18 HZ1 LYS 18 -0.162 -2.170 -7.773 80 HZ2 LYS 18 HZ2 LYS 18 1.278 -2.492 -8.616 81 HZ3 LYS 18 HZ3 LYS 18 0.859 -3.421 -7.256 82 H ALA 19 HN ALA 19 -5.355 -6.195 -6.638 83 HA ALA 19 HA ALA 19 -6.945 -3.777 -6.822 84 HB1 ALA 19 HB1 ALA 19 -7.557 -5.163 -8.562 85 HB2 ALA 19 HB2 ALA 19 -8.732 -5.723 -7.373 86 HB3 ALA 19 HB3 ALA 19 -7.243 -6.629 -7.641 87 H LYS 20 HN LYS 20 -6.073 -5.664 -4.301 88 HA LYS 20 HA LYS 20 -6.989 -6.208 -2.239 89 HB2 LYS 20 HB2 LYS 20 -8.188 -3.478 -2.749 90 HB3 LYS 20 HB1 LYS 20 -8.133 -4.274 -1.177 91 HG2 LYS 20 HG2 LYS 20 -5.706 -4.277 -1.178 92 HG3 LYS 20 HG1 LYS 20 -5.659 -3.718 -2.847 93 HD2 LYS 20 HD2 LYS 20 -5.270 -1.748 -1.635 94 HD3 LYS 20 HD1 LYS 20 -6.996 -1.659 -1.969 95 HE2 LYS 20 HE2 LYS 20 -6.491 -1.119 0.398 96 HE3 LYS 20 HE1 LYS 20 -7.493 -2.563 0.264 97 HZ1 LYS 20 HZ1 LYS 20 -5.579 -2.759 1.822 98 HZ2 LYS 20 HZ2 LYS 20 -4.536 -2.632 0.487 99 HZ3 LYS 20 HZ3 LYS 20 -5.612 -3.942 0.606 100 H VAL 21 HN VAL 21 -8.501 -7.191 -4.496 101 HA VAL 21 HA VAL 21 -11.298 -6.785 -4.030 102 HB VAL 21 HB VAL 21 -11.273 -9.160 -5.363 103 HG11 VAL 21 HG11 VAL 21 -10.872 -6.345 -6.385 104 HG12 VAL 21 HG12 VAL 21 -12.348 -7.306 -6.352 105 HG13 VAL 21 HG13 VAL 21 -11.063 -7.707 -7.490 106 HG21 VAL 21 HG21 VAL 21 -9.338 -9.468 -6.668 107 HG22 VAL 21 HG22 VAL 21 -8.682 -9.069 -5.082 108 HG23 VAL 21 HG23 VAL 21 -8.741 -7.842 -6.344 109 H SER 22 HN SER 22 -9.585 -9.876 -3.741 110 HA SER 22 HA SER 22 -9.971 -10.387 -1.050 111 HB2 SER 22 HB2 SER 22 -12.297 -10.312 -1.076 112 HB3 SER 22 HB1 SER 22 -12.397 -10.904 -2.731 113 HG SER 22 HG SER 22 -12.196 -12.280 -0.341 114 H THR 23 HN THR 23 -9.062 -12.311 -0.507 115 HA THR 23 HA THR 23 -7.649 -13.755 -2.504 116 HB THR 23 HB THR 23 -8.187 -14.672 0.322 117 HG1 THR 23 HG1 THR 23 -7.354 -12.730 0.665 118 HG21 THR 23 HG21 THR 23 -6.064 -15.806 0.077 119 HG22 THR 23 HG22 THR 23 -5.790 -15.045 -1.492 120 HG23 THR 23 HG23 THR 23 -7.078 -16.236 -1.300 121 H ALA 24 HN ALA 24 -10.751 -14.209 -0.952 122 HA ALA 24 HA ALA 24 -11.047 -16.957 -1.773 123 HB1 ALA 24 HB1 ALA 24 -12.202 -16.112 0.220 124 HB2 ALA 24 HB2 ALA 24 -13.364 -16.693 -0.972 125 HB3 ALA 24 HB3 ALA 24 -13.095 -14.962 -0.775 126 H THR 25 HN THR 25 -12.104 -13.810 -2.952 127 HA THR 25 HA THR 25 -13.916 -14.663 -4.917 128 HB THR 25 HB THR 25 -13.228 -12.498 -6.105 129 HG1 THR 25 HG1 THR 25 -11.423 -12.638 -3.979 130 HG21 THR 25 HG21 THR 25 -14.171 -11.086 -4.250 131 HG22 THR 25 HG22 THR 25 -14.060 -12.494 -3.193 132 HG23 THR 25 HG23 THR 25 -15.121 -12.530 -4.599 133 H VAL 26 HN VAL 26 -10.550 -13.616 -5.530 134 HA VAL 26 HA VAL 26 -10.329 -14.525 -8.117 135 HB VAL 26 HB VAL 26 -8.664 -13.160 -6.744 136 HG11 VAL 26 HG11 VAL 26 -7.486 -15.868 -6.096 137 HG12 VAL 26 HG12 VAL 26 -8.516 -15.003 -4.957 138 HG13 VAL 26 HG13 VAL 26 -6.993 -14.290 -5.485 139 HG21 VAL 26 HG21 VAL 26 -7.603 -15.449 -8.435 140 HG22 VAL 26 HG22 VAL 26 -6.766 -13.931 -8.110 141 HG23 VAL 26 HG23 VAL 26 -8.249 -13.932 -9.065 142 H SER 27 HN SER 27 -10.276 -16.388 -5.167 143 HA SER 27 HA SER 27 -9.204 -18.772 -6.425 144 HB2 SER 27 HB2 SER 27 -9.438 -19.797 -4.276 145 HB3 SER 27 HB1 SER 27 -8.864 -18.154 -3.995 146 HG SER 27 HG SER 27 -11.243 -19.346 -3.327 147 H ARG 28 HN ARG 28 -12.367 -17.504 -5.525 148 HA ARG 28 HA ARG 28 -13.741 -19.981 -6.147 149 HB2 ARG 28 HB2 ARG 28 -14.704 -17.199 -5.464 150 HB3 ARG 28 HB1 ARG 28 -15.792 -18.540 -5.823 151 HG2 ARG 28 HG2 ARG 28 -15.041 -19.791 -3.945 152 HG3 ARG 28 HG1 ARG 28 -13.635 -18.750 -3.717 153 HD2 ARG 28 HD2 ARG 28 -15.120 -16.869 -3.134 154 HD3 ARG 28 HD1 ARG 28 -16.527 -17.904 -3.366 155 HE ARG 28 HE ARG 28 -14.751 -17.893 -1.083 156 HH11 ARG 28 HH21 ARG 28 -16.991 -19.697 -3.006 157 HH12 ARG 28 HH22 ARG 28 -17.426 -20.783 -1.729 158 HH21 ARG 28 HH11 ARG 28 -15.317 -19.313 0.598 159 HH22 ARG 28 HH12 ARG 28 -16.478 -20.564 0.313 160 H ALA 29 HN ALA 29 -12.966 -16.972 -7.741 161 HA ALA 29 HA ALA 29 -14.804 -16.955 -9.824 162 HB1 ALA 29 HB1 ALA 29 -13.248 -15.109 -9.452 163 HB2 ALA 29 HB2 ALA 29 -13.096 -15.703 -11.106 164 HB3 ALA 29 HB3 ALA 29 -11.888 -16.142 -9.898 165 H LEU 30 HN LEU 30 -11.544 -18.410 -9.850 166 HA LEU 30 HA LEU 30 -11.582 -19.545 -12.357 167 HB2 LEU 30 HB2 LEU 30 -10.448 -20.920 -9.919 168 HB3 LEU 30 HB1 LEU 30 -9.904 -21.074 -11.590 169 HG LEU 30 HG LEU 30 -9.759 -18.568 -9.882 170 HD11 LEU 30 HD11 LEU 30 -7.598 -20.382 -11.004 171 HD12 LEU 30 HD12 LEU 30 -8.054 -20.242 -9.306 172 HD13 LEU 30 HD13 LEU 30 -7.312 -18.875 -10.136 173 HD21 LEU 30 HD21 LEU 30 -8.358 -17.810 -11.950 174 HD22 LEU 30 HD22 LEU 30 -10.115 -17.765 -12.073 175 HD23 LEU 30 HD23 LEU 30 -9.214 -19.094 -12.806 176 H MET 31 HN MET 31 -13.706 -20.219 -9.834 177 HA MET 31 HA MET 31 -14.434 -22.860 -10.989 178 HB2 MET 31 HB2 MET 31 -14.878 -21.769 -8.200 179 HB3 MET 31 HB1 MET 31 -15.485 -23.316 -8.792 180 HG2 MET 31 HG2 MET 31 -12.552 -22.573 -8.859 181 HG3 MET 31 HG1 MET 31 -13.291 -23.429 -7.505 182 HE1 MET 31 HE1 MET 31 -11.437 -26.350 -9.028 183 HE2 MET 31 HE2 MET 31 -12.205 -25.800 -7.541 184 HE3 MET 31 HE3 MET 31 -11.073 -24.744 -8.382 185 H ASN 32 HN ASN 32 -15.640 -19.740 -9.839 186 HA ASN 32 HA ASN 32 -17.985 -20.005 -11.549 187 HB2 ASN 32 HB2 ASN 32 -18.238 -19.755 -8.547 188 HB3 ASN 32 HB1 ASN 32 -19.562 -19.541 -9.690 189 HD21 ASN 32 HD21 ASN 32 -20.198 -21.475 -10.991 190 HD22 ASN 32 HD22 ASN 32 -19.854 -23.029 -10.404 191 HA PRO 33 HA PRO 33 -16.236 -15.706 -11.193 192 HB2 PRO 33 HB2 PRO 33 -17.060 -15.652 -14.058 193 HB3 PRO 33 HB1 PRO 33 -15.502 -15.220 -13.328 194 HG2 PRO 33 HG2 PRO 33 -15.799 -17.460 -14.750 195 HG3 PRO 33 HG1 PRO 33 -14.755 -17.408 -13.315 196 HD2 PRO 33 HD2 PRO 33 -17.537 -18.532 -13.581 197 HD3 PRO 33 HD1 PRO 33 -16.134 -19.194 -12.708 198 H ASP 34 HN ASP 34 -18.627 -16.170 -10.038 199 HA ASP 34 HA ASP 34 -20.493 -14.244 -11.312 200 HB2 ASP 34 HB2 ASP 34 -21.280 -16.644 -11.275 201 HB3 ASP 34 HB1 ASP 34 -21.276 -16.542 -9.514 202 H LYS 35 HN LYS 35 -18.932 -15.358 -8.370 203 HA LYS 35 HA LYS 35 -20.393 -13.760 -6.537 204 HB2 LYS 35 HB2 LYS 35 -18.935 -15.708 -5.924 205 HB3 LYS 35 HB1 LYS 35 -17.529 -14.700 -6.271 206 HG2 LYS 35 HG2 LYS 35 -18.276 -13.067 -4.582 207 HG3 LYS 35 HG1 LYS 35 -19.687 -14.068 -4.237 208 HD2 LYS 35 HD2 LYS 35 -18.101 -15.952 -3.667 209 HD3 LYS 35 HD1 LYS 35 -16.779 -14.790 -3.795 210 HE2 LYS 35 HE2 LYS 35 -18.011 -13.363 -2.097 211 HE3 LYS 35 HE1 LYS 35 -19.104 -14.725 -1.856 212 HZ1 LYS 35 HZ1 LYS 35 -16.464 -14.337 -0.865 213 HZ2 LYS 35 HZ2 LYS 35 -16.586 -15.799 -1.723 214 HZ3 LYS 35 HZ3 LYS 35 -17.623 -15.492 -0.415 215 H VAL 36 HN VAL 36 -17.852 -13.059 -8.782 216 HA VAL 36 HA VAL 36 -16.834 -10.716 -7.528 217 HB VAL 36 HB VAL 36 -16.032 -10.211 -9.909 218 HG11 VAL 36 HG11 VAL 36 -14.338 -11.968 -9.811 219 HG12 VAL 36 HG12 VAL 36 -15.359 -12.928 -8.741 220 HG13 VAL 36 HG13 VAL 36 -14.685 -11.400 -8.178 221 HG21 VAL 36 HG21 VAL 36 -17.929 -11.601 -10.915 222 HG22 VAL 36 HG22 VAL 36 -17.021 -13.028 -10.412 223 HG23 VAL 36 HG23 VAL 36 -16.322 -11.903 -11.577 224 H SER 37 HN SER 37 -17.426 -8.614 -7.714 225 HA SER 37 HA SER 37 -20.122 -8.024 -8.452 226 HB2 SER 37 HB2 SER 37 -17.831 -6.178 -7.748 227 HB3 SER 37 HB1 SER 37 -19.520 -5.697 -7.881 228 HG SER 37 HG SER 37 -19.830 -6.473 -5.960 229 H GLN 38 HN GLN 38 -20.748 -6.389 -10.015 230 HA GLN 38 HA GLN 38 -19.992 -6.904 -12.602 231 HB2 GLN 38 HB2 GLN 38 -21.183 -4.442 -11.332 232 HB3 GLN 38 HB1 GLN 38 -20.854 -4.497 -13.064 233 HG2 GLN 38 HG2 GLN 38 -22.440 -6.661 -11.668 234 HG3 GLN 38 HG1 GLN 38 -23.206 -5.210 -12.315 235 HE21 GLN 38 HE21 GLN 38 -23.286 -4.957 -14.647 236 HE22 GLN 38 HE22 GLN 38 -22.896 -6.233 -15.696 237 H ALA 39 HN ALA 39 -18.919 -4.057 -10.724 238 HA ALA 39 HA ALA 39 -17.021 -3.177 -12.593 239 HB1 ALA 39 HB1 ALA 39 -17.732 -1.812 -10.650 240 HB2 ALA 39 HB2 ALA 39 -15.975 -1.962 -10.714 241 HB3 ALA 39 HB3 ALA 39 -16.902 -2.931 -9.569 242 H THR 40 HN THR 40 -16.549 -5.197 -9.694 243 HA THR 40 HA THR 40 -13.842 -5.762 -10.062 244 HB THR 40 HB THR 40 -16.017 -7.427 -8.776 245 HG1 THR 40 HG1 THR 40 -14.824 -6.521 -6.899 246 HG21 THR 40 HG21 THR 40 -14.206 -8.918 -9.227 247 HG22 THR 40 HG22 THR 40 -14.024 -8.428 -7.542 248 HG23 THR 40 HG23 THR 40 -13.008 -7.701 -8.786 249 H ARG 41 HN ARG 41 -16.651 -7.037 -11.662 250 HA ARG 41 HA ARG 41 -15.446 -9.426 -12.647 251 HB2 ARG 41 HB2 ARG 41 -17.944 -8.916 -12.509 252 HB3 ARG 41 HB1 ARG 41 -17.720 -7.940 -13.961 253 HG2 ARG 41 HG2 ARG 41 -16.702 -9.948 -15.077 254 HG3 ARG 41 HG1 ARG 41 -17.141 -10.898 -13.657 255 HD2 ARG 41 HD2 ARG 41 -19.028 -9.420 -15.508 256 HD3 ARG 41 HD1 ARG 41 -18.883 -11.165 -15.322 257 HE ARG 41 HE ARG 41 -19.510 -9.872 -12.839 258 HH11 ARG 41 HH21 ARG 41 -20.783 -10.988 -15.857 259 HH12 ARG 41 HH22 ARG 41 -22.386 -11.231 -15.250 260 HH21 ARG 41 HH11 ARG 41 -21.611 -10.189 -12.035 261 HH22 ARG 41 HH12 ARG 41 -22.855 -10.779 -13.085 262 H ASN 42 HN ASN 42 -15.797 -6.136 -13.886 263 HA ASN 42 HA ASN 42 -14.691 -6.702 -16.455 264 HB2 ASN 42 HB2 ASN 42 -16.157 -4.726 -15.887 265 HB3 ASN 42 HB1 ASN 42 -14.767 -4.022 -15.064 266 HD21 ASN 42 HD21 ASN 42 -15.818 -2.643 -17.266 267 HD22 ASN 42 HD22 ASN 42 -14.748 -2.767 -18.578 268 H ARG 43 HN ARG 43 -13.345 -5.305 -13.464 269 HA ARG 43 HA ARG 43 -10.756 -4.814 -14.478 270 HB2 ARG 43 HB2 ARG 43 -11.748 -3.923 -12.318 271 HB3 ARG 43 HB1 ARG 43 -11.427 -5.510 -11.615 272 HG2 ARG 43 HG2 ARG 43 -9.019 -5.236 -12.376 273 HG3 ARG 43 HG1 ARG 43 -9.413 -3.560 -12.756 274 HD2 ARG 43 HD2 ARG 43 -9.813 -4.833 -10.036 275 HD3 ARG 43 HD1 ARG 43 -8.423 -3.847 -10.474 276 HE ARG 43 HE ARG 43 -10.946 -2.531 -10.953 277 HH11 ARG 43 HH21 ARG 43 -8.484 -3.301 -8.647 278 HH12 ARG 43 HH22 ARG 43 -8.819 -1.940 -7.628 279 HH21 ARG 43 HH11 ARG 43 -11.392 -0.746 -9.623 280 HH22 ARG 43 HH12 ARG 43 -10.464 -0.493 -8.181 281 H VAL 44 HN VAL 44 -12.180 -7.591 -12.806 282 HA VAL 44 HA VAL 44 -9.846 -9.136 -12.588 283 HB VAL 44 HB VAL 44 -12.781 -9.829 -12.721 284 HG11 VAL 44 HG11 VAL 44 -10.400 -11.686 -12.535 285 HG12 VAL 44 HG12 VAL 44 -11.774 -11.786 -13.636 286 HG13 VAL 44 HG13 VAL 44 -11.991 -12.136 -11.922 287 HG21 VAL 44 HG21 VAL 44 -10.816 -10.258 -10.463 288 HG22 VAL 44 HG22 VAL 44 -12.574 -10.143 -10.380 289 HG23 VAL 44 HG23 VAL 44 -11.609 -8.702 -10.702 290 H GLU 45 HN GLU 45 -12.400 -9.174 -15.081 291 HA GLU 45 HA GLU 45 -11.376 -11.118 -16.758 292 HB2 GLU 45 HB2 GLU 45 -12.944 -8.607 -17.337 293 HB3 GLU 45 HB1 GLU 45 -12.479 -9.713 -18.628 294 HG2 GLU 45 HG2 GLU 45 -13.905 -10.680 -16.143 295 HG3 GLU 45 HG1 GLU 45 -14.784 -10.093 -17.553 296 H LYS 46 HN LYS 46 -10.562 -7.647 -16.705 297 HA LYS 46 HA LYS 46 -8.739 -7.800 -18.898 298 HB2 LYS 46 HB2 LYS 46 -9.189 -5.768 -16.709 299 HB3 LYS 46 HB1 LYS 46 -7.932 -5.567 -17.931 300 HG2 LYS 46 HG2 LYS 46 -9.536 -5.529 -19.713 301 HG3 LYS 46 HG1 LYS 46 -10.830 -6.089 -18.650 302 HD2 LYS 46 HD2 LYS 46 -10.782 -4.009 -17.402 303 HD3 LYS 46 HD1 LYS 46 -9.369 -3.456 -18.303 304 HE2 LYS 46 HE2 LYS 46 -12.134 -3.978 -19.433 305 HE3 LYS 46 HE1 LYS 46 -11.359 -2.406 -19.235 306 HZ1 LYS 46 HZ1 LYS 46 -9.509 -3.563 -20.661 307 HZ2 LYS 46 HZ2 LYS 46 -10.857 -2.836 -21.396 308 HZ3 LYS 46 HZ3 LYS 46 -10.808 -4.521 -21.183 309 H ALA 47 HN ALA 47 -8.391 -8.027 -15.389 310 HA ALA 47 HA ALA 47 -5.609 -7.910 -15.194 311 HB1 ALA 47 HB1 ALA 47 -6.779 -7.837 -13.157 312 HB2 ALA 47 HB2 ALA 47 -6.012 -9.424 -13.131 313 HB3 ALA 47 HB3 ALA 47 -7.720 -9.277 -13.540 314 H ALA 48 HN ALA 48 -7.648 -10.402 -16.457 315 HA ALA 48 HA ALA 48 -5.890 -12.612 -16.114 316 HB1 ALA 48 HB1 ALA 48 -7.320 -13.776 -17.612 317 HB2 ALA 48 HB2 ALA 48 -7.871 -12.281 -18.366 318 HB3 ALA 48 HB3 ALA 48 -8.371 -12.674 -16.722 319 H ARG 49 HN ARG 49 -6.403 -10.313 -18.773 320 HA ARG 49 HA ARG 49 -4.372 -11.500 -20.434 321 HB2 ARG 49 HB2 ARG 49 -6.370 -10.212 -21.286 322 HB3 ARG 49 HB1 ARG 49 -5.594 -8.745 -20.691 323 HG2 ARG 49 HG2 ARG 49 -3.576 -9.331 -22.088 324 HG3 ARG 49 HG1 ARG 49 -4.511 -10.654 -22.787 325 HD2 ARG 49 HD2 ARG 49 -4.768 -8.836 -24.300 326 HD3 ARG 49 HD1 ARG 49 -6.273 -8.903 -23.388 327 HE ARG 49 HE ARG 49 -4.335 -7.135 -22.201 328 HH11 ARG 49 HH21 ARG 49 -6.762 -7.505 -24.640 329 HH12 ARG 49 HH22 ARG 49 -7.137 -5.815 -24.718 330 HH21 ARG 49 HH11 ARG 49 -4.820 -4.918 -22.297 331 HH22 ARG 49 HH12 ARG 49 -6.038 -4.351 -23.392 332 H GLU 50 HN GLU 50 -4.583 -8.612 -18.381 333 HA GLU 50 HA GLU 50 -2.096 -7.493 -18.986 334 HB2 GLU 50 HB2 GLU 50 -4.018 -6.472 -17.646 335 HB3 GLU 50 HB1 GLU 50 -3.390 -7.370 -16.263 336 HG2 GLU 50 HG2 GLU 50 -1.144 -6.300 -16.706 337 HG3 GLU 50 HG1 GLU 50 -1.940 -5.277 -17.900 338 H VAL 51 HN VAL 51 -2.970 -9.884 -16.494 339 HA VAL 51 HA VAL 51 -0.306 -9.982 -15.417 340 HB VAL 51 HB VAL 51 -2.454 -10.539 -14.169 341 HG11 VAL 51 HG11 VAL 51 -2.107 -13.246 -15.464 342 HG12 VAL 51 HG12 VAL 51 -3.261 -12.061 -16.061 343 HG13 VAL 51 HG13 VAL 51 -3.424 -12.701 -14.427 344 HG21 VAL 51 HG21 VAL 51 -0.320 -11.036 -13.164 345 HG22 VAL 51 HG22 VAL 51 -0.107 -12.455 -14.189 346 HG23 VAL 51 HG23 VAL 51 -1.347 -12.450 -12.937 347 H GLY 52 HN GLY 52 -1.947 -11.534 -18.035 348 HA2 GLY 52 HA2 GLY 52 -1.340 -13.227 -19.476 349 HA3 GLY 52 HA1 GLY 52 0.280 -12.573 -19.266 350 H TYR 53 HN TYR 53 -1.997 -14.448 -17.250 351 HA TYR 53 HA TYR 53 0.170 -15.982 -16.092 352 HB2 TYR 53 HB2 TYR 53 -1.776 -15.427 -14.714 353 HB3 TYR 53 HB1 TYR 53 -2.832 -16.307 -15.823 354 HD1 TYR 53 HD1 TYR 53 0.269 -16.775 -13.769 355 HD2 TYR 53 HD2 TYR 53 -3.261 -18.582 -15.423 356 HE1 TYR 53 HE1 TYR 53 0.788 -18.882 -12.575 357 HE2 TYR 53 HE2 TYR 53 -2.742 -20.691 -14.225 358 HH TYR 53 HH TYR 53 -0.196 -21.678 -13.265 359 H LEU 54 HN LEU 54 1.097 -17.596 -17.127 360 HA LEU 54 HA LEU 54 -0.515 -19.267 -18.972 361 HB2 LEU 54 HB2 LEU 54 2.481 -19.027 -19.117 362 HB3 LEU 54 HB1 LEU 54 1.354 -19.561 -20.357 363 HG LEU 54 HG LEU 54 1.458 -16.723 -19.274 364 HD11 LEU 54 HD11 LEU 54 2.685 -17.984 -21.733 365 HD12 LEU 54 HD12 LEU 54 3.524 -17.147 -20.429 366 HD13 LEU 54 HD13 LEU 54 2.485 -16.243 -21.531 367 HD21 LEU 54 HD21 LEU 54 -0.054 -18.100 -21.510 368 HD22 LEU 54 HD22 LEU 54 0.210 -16.356 -21.510 369 HD23 LEU 54 HD23 LEU 54 -0.703 -17.106 -20.204 370 HA PRO 55 HA PRO 55 2.596 -22.083 -16.345 371 HB2 PRO 55 HB2 PRO 55 2.006 -20.666 -13.765 372 HB3 PRO 55 HB1 PRO 55 3.495 -21.479 -14.289 373 HG2 PRO 55 HG2 PRO 55 3.351 -18.837 -14.288 374 HG3 PRO 55 HG1 PRO 55 4.154 -19.691 -15.622 375 HD2 PRO 55 HD2 PRO 55 1.437 -18.416 -15.568 376 HD3 PRO 55 HD1 PRO 55 2.634 -18.459 -16.883 Start of MODEL 4 1 H ALA 9 HT1 ALA 9 7.302 -13.835 -12.163 2 HA ALA 9 HA ALA 9 5.538 -12.662 -13.088 3 HB1 ALA 9 HB1 ALA 9 4.587 -15.466 -12.429 4 HB2 ALA 9 HB2 ALA 9 5.573 -15.000 -13.814 5 HB3 ALA 9 HB3 ALA 9 3.904 -14.441 -13.690 6 H ALA 10 HN ALA 10 3.108 -12.294 -13.059 7 HA ALA 10 HA ALA 10 2.249 -11.715 -10.285 8 HB1 ALA 10 HB1 ALA 10 2.441 -9.785 -11.826 9 HB2 ALA 10 HB2 ALA 10 0.780 -10.039 -11.288 10 HB3 ALA 10 HB3 ALA 10 1.272 -10.549 -12.904 11 H THR 11 HN THR 11 1.495 -13.887 -9.937 12 HA THR 11 HA THR 11 -0.352 -15.242 -11.553 13 HB THR 11 HB THR 11 -1.039 -16.317 -9.292 14 HG1 THR 11 HG1 THR 11 -0.421 -14.798 -7.862 15 HG21 THR 11 HG21 THR 11 1.332 -17.348 -9.084 16 HG22 THR 11 HG22 THR 11 1.741 -16.334 -10.465 17 HG23 THR 11 HG23 THR 11 0.474 -17.550 -10.610 18 H MET 12 HN MET 12 -2.634 -15.530 -11.293 19 HA MET 12 HA MET 12 -4.158 -13.230 -11.323 20 HB2 MET 12 HB2 MET 12 -5.029 -16.003 -10.468 21 HB3 MET 12 HB1 MET 12 -6.115 -14.694 -10.937 22 HG2 MET 12 HG2 MET 12 -5.137 -14.628 -13.171 23 HG3 MET 12 HG1 MET 12 -3.944 -15.845 -12.715 24 HE1 MET 12 HE1 MET 12 -8.416 -16.299 -13.473 25 HE2 MET 12 HE2 MET 12 -7.318 -15.341 -14.464 26 HE3 MET 12 HE3 MET 12 -7.574 -14.908 -12.775 27 H LYS 13 HN LYS 13 -2.929 -14.984 -8.605 28 HA LYS 13 HA LYS 13 -4.728 -13.927 -6.646 29 HB2 LYS 13 HB2 LYS 13 -2.009 -15.235 -6.457 30 HB3 LYS 13 HB1 LYS 13 -2.914 -14.701 -5.040 31 HG2 LYS 13 HG2 LYS 13 -4.854 -16.122 -5.890 32 HG3 LYS 13 HG1 LYS 13 -3.728 -16.801 -7.065 33 HD2 LYS 13 HD2 LYS 13 -3.481 -16.903 -4.046 34 HD3 LYS 13 HD1 LYS 13 -3.789 -18.261 -5.127 35 HE2 LYS 13 HE2 LYS 13 -1.483 -18.440 -4.735 36 HE3 LYS 13 HE1 LYS 13 -1.537 -17.558 -6.260 37 HZ1 LYS 13 HZ1 LYS 13 -1.691 -15.850 -3.959 38 HZ2 LYS 13 HZ2 LYS 13 -0.674 -15.753 -5.316 39 HZ3 LYS 13 HZ3 LYS 13 -0.256 -16.752 -4.007 40 H ASP 14 HN ASP 14 -1.469 -13.037 -7.776 41 HA ASP 14 HA ASP 14 -0.944 -11.019 -5.935 42 HB2 ASP 14 HB2 ASP 14 -0.097 -11.377 -8.809 43 HB3 ASP 14 HB1 ASP 14 0.515 -10.078 -7.787 44 H VAL 15 HN VAL 15 -2.773 -10.962 -8.962 45 HA VAL 15 HA VAL 15 -3.093 -8.203 -9.204 46 HB VAL 15 HB VAL 15 -4.843 -10.528 -10.025 47 HG11 VAL 15 HG11 VAL 15 -5.891 -8.795 -11.582 48 HG12 VAL 15 HG12 VAL 15 -5.174 -7.565 -10.541 49 HG13 VAL 15 HG13 VAL 15 -6.361 -8.694 -9.887 50 HG21 VAL 15 HG21 VAL 15 -2.914 -8.697 -11.484 51 HG22 VAL 15 HG22 VAL 15 -3.963 -9.864 -12.288 52 HG23 VAL 15 HG23 VAL 15 -2.710 -10.423 -11.180 53 H ALA 16 HN ALA 16 -5.108 -10.603 -7.513 54 HA ALA 16 HA ALA 16 -7.165 -8.949 -6.650 55 HB1 ALA 16 HB1 ALA 16 -7.218 -11.366 -6.308 56 HB2 ALA 16 HB2 ALA 16 -7.434 -10.538 -4.766 57 HB3 ALA 16 HB3 ALA 16 -5.875 -11.255 -5.169 58 H LEU 17 HN LEU 17 -3.886 -9.219 -5.502 59 HA LEU 17 HA LEU 17 -4.211 -7.901 -3.010 60 HB2 LEU 17 HB2 LEU 17 -2.152 -9.229 -4.077 61 HB3 LEU 17 HB1 LEU 17 -1.649 -7.611 -4.557 62 HG LEU 17 HG LEU 17 -2.215 -8.592 -1.738 63 HD11 LEU 17 HD11 LEU 17 -0.010 -9.198 -2.761 64 HD12 LEU 17 HD12 LEU 17 0.149 -8.124 -1.371 65 HD13 LEU 17 HD13 LEU 17 0.311 -7.480 -3.005 66 HD21 LEU 17 HD21 LEU 17 -1.337 -6.203 -1.188 67 HD22 LEU 17 HD22 LEU 17 -3.006 -6.348 -1.736 68 HD23 LEU 17 HD23 LEU 17 -1.754 -5.815 -2.858 69 H LYS 18 HN LYS 18 -3.262 -6.700 -6.228 70 HA LYS 18 HA LYS 18 -3.073 -3.966 -5.409 71 HB2 LYS 18 HB2 LYS 18 -1.960 -5.030 -7.431 72 HB3 LYS 18 HB1 LYS 18 -3.536 -4.962 -8.221 73 HG2 LYS 18 HG2 LYS 18 -3.563 -2.466 -7.599 74 HG3 LYS 18 HG1 LYS 18 -1.847 -2.654 -7.236 75 HD2 LYS 18 HD2 LYS 18 -3.201 -3.201 -9.894 76 HD3 LYS 18 HD1 LYS 18 -2.081 -1.888 -9.535 77 HE2 LYS 18 HE2 LYS 18 -0.405 -3.742 -8.886 78 HE3 LYS 18 HE1 LYS 18 -1.500 -4.844 -9.722 79 HZ1 LYS 18 HZ1 LYS 18 -1.241 -2.769 -11.451 80 HZ2 LYS 18 HZ2 LYS 18 -0.412 -4.248 -11.551 81 HZ3 LYS 18 HZ3 LYS 18 0.320 -2.911 -10.803 82 H ALA 19 HN ALA 19 -5.619 -5.938 -6.863 83 HA ALA 19 HA ALA 19 -7.428 -3.647 -7.069 84 HB1 ALA 19 HB1 ALA 19 -9.018 -5.604 -7.819 85 HB2 ALA 19 HB2 ALA 19 -7.517 -6.525 -7.927 86 HB3 ALA 19 HB3 ALA 19 -7.728 -5.067 -8.896 87 H LYS 20 HN LYS 20 -6.430 -5.618 -4.637 88 HA LYS 20 HA LYS 20 -7.339 -6.376 -2.644 89 HB2 LYS 20 HB2 LYS 20 -8.918 -3.810 -2.893 90 HB3 LYS 20 HB1 LYS 20 -8.477 -4.654 -1.408 91 HG2 LYS 20 HG2 LYS 20 -6.015 -4.361 -2.222 92 HG3 LYS 20 HG1 LYS 20 -6.677 -3.143 -3.315 93 HD2 LYS 20 HD2 LYS 20 -7.071 -3.159 -0.312 94 HD3 LYS 20 HD1 LYS 20 -5.879 -2.178 -1.161 95 HE2 LYS 20 HE2 LYS 20 -7.821 -1.240 -2.530 96 HE3 LYS 20 HE1 LYS 20 -8.891 -2.013 -1.360 97 HZ1 LYS 20 HZ1 LYS 20 -8.271 -0.602 0.289 98 HZ2 LYS 20 HZ2 LYS 20 -8.044 0.437 -1.036 99 HZ3 LYS 20 HZ3 LYS 20 -6.714 -0.354 -0.335 100 H VAL 21 HN VAL 21 -8.546 -7.647 -4.688 101 HA VAL 21 HA VAL 21 -11.388 -7.433 -4.700 102 HB VAL 21 HB VAL 21 -9.694 -9.813 -5.485 103 HG11 VAL 21 HG11 VAL 21 -12.128 -10.252 -5.232 104 HG12 VAL 21 HG12 VAL 21 -11.616 -10.359 -6.913 105 HG13 VAL 21 HG13 VAL 21 -12.466 -8.925 -6.338 106 HG21 VAL 21 HG21 VAL 21 -9.089 -7.607 -6.591 107 HG22 VAL 21 HG22 VAL 21 -10.727 -7.572 -7.243 108 HG23 VAL 21 HG23 VAL 21 -9.624 -8.870 -7.698 109 H SER 22 HN SER 22 -9.667 -10.367 -3.775 110 HA SER 22 HA SER 22 -10.203 -10.601 -1.109 111 HB2 SER 22 HB2 SER 22 -12.409 -12.111 -1.399 112 HB3 SER 22 HB1 SER 22 -12.512 -10.373 -1.132 113 HG SER 22 HG SER 22 -13.245 -10.144 -3.083 114 H THR 23 HN THR 23 -9.325 -12.447 -0.391 115 HA THR 23 HA THR 23 -8.002 -14.202 -2.136 116 HB THR 23 HB THR 23 -8.759 -14.759 0.736 117 HG1 THR 23 HG1 THR 23 -6.763 -13.161 -0.447 118 HG21 THR 23 HG21 THR 23 -7.810 -16.660 -0.519 119 HG22 THR 23 HG22 THR 23 -6.680 -16.079 0.705 120 HG23 THR 23 HG23 THR 23 -6.436 -15.660 -0.990 121 H ALA 24 HN ALA 24 -11.236 -14.314 -0.791 122 HA ALA 24 HA ALA 24 -11.639 -17.115 -1.343 123 HB1 ALA 24 HB1 ALA 24 -13.508 -14.861 -0.602 124 HB2 ALA 24 HB2 ALA 24 -12.935 -16.175 0.426 125 HB3 ALA 24 HB3 ALA 24 -14.058 -16.512 -0.892 126 H THR 25 HN THR 25 -12.479 -14.064 -2.905 127 HA THR 25 HA THR 25 -14.132 -15.079 -4.948 128 HB THR 25 HB THR 25 -13.301 -13.025 -6.242 129 HG1 THR 25 HG1 THR 25 -11.354 -12.634 -5.383 130 HG21 THR 25 HG21 THR 25 -14.449 -11.471 -4.678 131 HG22 THR 25 HG22 THR 25 -14.377 -12.711 -3.423 132 HG23 THR 25 HG23 THR 25 -15.336 -12.983 -4.878 133 H VAL 26 HN VAL 26 -10.726 -14.075 -5.342 134 HA VAL 26 HA VAL 26 -10.289 -15.270 -7.797 135 HB VAL 26 HB VAL 26 -8.780 -13.671 -6.486 136 HG11 VAL 26 HG11 VAL 26 -8.683 -15.278 -4.485 137 HG12 VAL 26 HG12 VAL 26 -7.153 -14.570 -5.002 138 HG13 VAL 26 HG13 VAL 26 -7.551 -16.230 -5.447 139 HG21 VAL 26 HG21 VAL 26 -8.186 -14.710 -8.671 140 HG22 VAL 26 HG22 VAL 26 -7.497 -16.084 -7.806 141 HG23 VAL 26 HG23 VAL 26 -6.775 -14.483 -7.639 142 H SER 27 HN SER 27 -10.186 -16.705 -4.587 143 HA SER 27 HA SER 27 -9.011 -19.181 -5.446 144 HB2 SER 27 HB2 SER 27 -8.765 -18.493 -3.137 145 HB3 SER 27 HB1 SER 27 -10.513 -18.426 -2.930 146 HG SER 27 HG SER 27 -9.524 -20.808 -3.913 147 H ARG 28 HN ARG 28 -12.291 -17.985 -4.937 148 HA ARG 28 HA ARG 28 -13.500 -20.573 -5.453 149 HB2 ARG 28 HB2 ARG 28 -14.669 -17.800 -5.122 150 HB3 ARG 28 HB1 ARG 28 -15.635 -19.255 -5.358 151 HG2 ARG 28 HG2 ARG 28 -13.584 -19.236 -3.155 152 HG3 ARG 28 HG1 ARG 28 -15.096 -18.366 -2.906 153 HD2 ARG 28 HD2 ARG 28 -16.399 -20.323 -3.115 154 HD3 ARG 28 HD1 ARG 28 -15.094 -21.218 -3.889 155 HE ARG 28 HE ARG 28 -14.273 -21.731 -1.779 156 HH11 ARG 28 HH21 ARG 28 -16.500 -19.087 -1.637 157 HH12 ARG 28 HH22 ARG 28 -16.536 -19.030 0.093 158 HH21 ARG 28 HH11 ARG 28 -14.315 -21.663 0.490 159 HH22 ARG 28 HH12 ARG 28 -15.301 -20.489 1.298 160 H ALA 29 HN ALA 29 -12.437 -17.844 -7.240 161 HA ALA 29 HA ALA 29 -14.172 -18.105 -9.490 162 HB1 ALA 29 HB1 ALA 29 -12.626 -16.595 -10.611 163 HB2 ALA 29 HB2 ALA 29 -11.416 -16.863 -9.356 164 HB3 ALA 29 HB3 ALA 29 -12.921 -16.026 -8.968 165 H LEU 30 HN LEU 30 -11.392 -19.813 -8.417 166 HA LEU 30 HA LEU 30 -10.340 -20.702 -10.877 167 HB2 LEU 30 HB2 LEU 30 -10.392 -22.329 -8.337 168 HB3 LEU 30 HB1 LEU 30 -9.183 -22.356 -9.621 169 HG LEU 30 HG LEU 30 -9.742 -20.047 -7.731 170 HD11 LEU 30 HD11 LEU 30 -7.269 -21.775 -8.062 171 HD12 LEU 30 HD12 LEU 30 -8.456 -21.966 -6.771 172 HD13 LEU 30 HD13 LEU 30 -7.501 -20.487 -6.880 173 HD21 LEU 30 HD21 LEU 30 -7.984 -20.314 -10.174 174 HD22 LEU 30 HD22 LEU 30 -7.610 -19.151 -8.904 175 HD23 LEU 30 HD23 LEU 30 -9.132 -19.034 -9.783 176 H MET 31 HN MET 31 -13.185 -21.624 -9.099 177 HA MET 31 HA MET 31 -13.721 -23.781 -11.073 178 HB2 MET 31 HB2 MET 31 -14.434 -23.627 -8.138 179 HB3 MET 31 HB1 MET 31 -15.127 -24.805 -9.252 180 HG2 MET 31 HG2 MET 31 -12.842 -25.603 -9.804 181 HG3 MET 31 HG1 MET 31 -12.179 -24.464 -8.633 182 HE1 MET 31 HE1 MET 31 -11.788 -24.883 -6.343 183 HE2 MET 31 HE2 MET 31 -12.856 -25.767 -5.256 184 HE3 MET 31 HE3 MET 31 -13.461 -24.354 -6.118 185 H ASN 32 HN ASN 32 -14.720 -20.813 -9.716 186 HA ASN 32 HA ASN 32 -17.153 -20.841 -11.339 187 HB2 ASN 32 HB2 ASN 32 -17.206 -20.326 -8.360 188 HB3 ASN 32 HB1 ASN 32 -18.559 -20.085 -9.463 189 HD21 ASN 32 HD21 ASN 32 -19.758 -21.943 -10.121 190 HD22 ASN 32 HD22 ASN 32 -19.411 -23.510 -9.568 191 HA PRO 33 HA PRO 33 -15.033 -16.740 -11.174 192 HB2 PRO 33 HB2 PRO 33 -14.789 -16.308 -13.836 193 HB3 PRO 33 HB1 PRO 33 -13.658 -17.346 -12.944 194 HG2 PRO 33 HG2 PRO 33 -15.941 -18.114 -14.702 195 HG3 PRO 33 HG1 PRO 33 -14.346 -18.868 -14.533 196 HD2 PRO 33 HD2 PRO 33 -16.672 -19.801 -13.311 197 HD3 PRO 33 HD1 PRO 33 -15.028 -20.183 -12.758 198 H ASP 34 HN ASP 34 -17.310 -16.355 -10.317 199 HA ASP 34 HA ASP 34 -18.594 -14.370 -11.975 200 HB2 ASP 34 HB2 ASP 34 -19.581 -16.596 -12.715 201 HB3 ASP 34 HB1 ASP 34 -20.277 -16.720 -11.100 202 H LYS 35 HN LYS 35 -17.263 -14.639 -9.342 203 HA LYS 35 HA LYS 35 -19.479 -13.935 -7.507 204 HB2 LYS 35 HB2 LYS 35 -17.782 -15.789 -6.933 205 HB3 LYS 35 HB1 LYS 35 -16.621 -14.483 -6.716 206 HG2 LYS 35 HG2 LYS 35 -17.450 -14.660 -4.547 207 HG3 LYS 35 HG1 LYS 35 -18.543 -13.442 -5.199 208 HD2 LYS 35 HD2 LYS 35 -20.212 -15.187 -5.697 209 HD3 LYS 35 HD1 LYS 35 -19.110 -16.422 -5.088 210 HE2 LYS 35 HE2 LYS 35 -20.576 -15.957 -3.273 211 HE3 LYS 35 HE1 LYS 35 -19.088 -15.089 -2.893 212 HZ1 LYS 35 HZ1 LYS 35 -21.456 -13.894 -4.228 213 HZ2 LYS 35 HZ2 LYS 35 -20.045 -13.075 -3.752 214 HZ3 LYS 35 HZ3 LYS 35 -21.089 -13.727 -2.581 215 H VAL 36 HN VAL 36 -16.704 -12.713 -9.167 216 HA VAL 36 HA VAL 36 -16.177 -10.460 -7.533 217 HB VAL 36 HB VAL 36 -15.213 -9.548 -9.781 218 HG11 VAL 36 HG11 VAL 36 -14.190 -12.185 -8.684 219 HG12 VAL 36 HG12 VAL 36 -13.877 -10.607 -7.963 220 HG13 VAL 36 HG13 VAL 36 -13.248 -10.982 -9.566 221 HG21 VAL 36 HG21 VAL 36 -16.671 -11.146 -11.125 222 HG22 VAL 36 HG22 VAL 36 -15.621 -12.448 -10.559 223 HG23 VAL 36 HG23 VAL 36 -14.959 -11.151 -11.551 224 H SER 37 HN SER 37 -16.890 -8.350 -7.698 225 HA SER 37 HA SER 37 -19.590 -7.942 -8.434 226 HB2 SER 37 HB2 SER 37 -18.332 -6.630 -6.688 227 HB3 SER 37 HB1 SER 37 -17.498 -5.801 -8.000 228 HG SER 37 HG SER 37 -19.210 -4.540 -7.707 229 H GLN 38 HN GLN 38 -20.447 -6.590 -10.085 230 HA GLN 38 HA GLN 38 -19.634 -7.095 -12.648 231 HB2 GLN 38 HB2 GLN 38 -21.137 -4.728 -11.530 232 HB3 GLN 38 HB1 GLN 38 -20.895 -4.964 -13.260 233 HG2 GLN 38 HG2 GLN 38 -23.064 -5.898 -12.487 234 HG3 GLN 38 HG1 GLN 38 -22.005 -7.141 -13.152 235 HE21 GLN 38 HE21 GLN 38 -23.176 -5.765 -10.060 236 HE22 GLN 38 HE22 GLN 38 -22.846 -7.154 -9.141 237 H ALA 39 HN ALA 39 -18.947 -4.042 -10.898 238 HA ALA 39 HA ALA 39 -17.270 -2.982 -12.891 239 HB1 ALA 39 HB1 ALA 39 -17.156 -2.531 -9.890 240 HB2 ALA 39 HB2 ALA 39 -18.144 -1.615 -11.027 241 HB3 ALA 39 HB3 ALA 39 -16.385 -1.512 -11.105 242 H THR 40 HN THR 40 -16.445 -4.740 -9.908 243 HA THR 40 HA THR 40 -13.677 -4.888 -10.358 244 HB THR 40 HB THR 40 -15.489 -6.727 -8.781 245 HG1 THR 40 HG1 THR 40 -15.491 -5.139 -7.439 246 HG21 THR 40 HG21 THR 40 -13.475 -7.927 -9.044 247 HG22 THR 40 HG22 THR 40 -13.266 -7.081 -7.512 248 HG23 THR 40 HG23 THR 40 -12.490 -6.467 -8.969 249 H ARG 41 HN ARG 41 -16.299 -6.652 -11.745 250 HA ARG 41 HA ARG 41 -14.847 -9.011 -12.468 251 HB2 ARG 41 HB2 ARG 41 -17.342 -8.901 -12.321 252 HB3 ARG 41 HB1 ARG 41 -17.338 -7.898 -13.772 253 HG2 ARG 41 HG2 ARG 41 -16.303 -9.669 -15.066 254 HG3 ARG 41 HG1 ARG 41 -16.105 -10.661 -13.619 255 HD2 ARG 41 HD2 ARG 41 -18.086 -11.312 -15.018 256 HD3 ARG 41 HD1 ARG 41 -18.500 -10.878 -13.361 257 HE ARG 41 HE ARG 41 -18.794 -8.527 -14.696 258 HH11 ARG 41 HH21 ARG 41 -19.896 -11.765 -15.222 259 HH12 ARG 41 HH22 ARG 41 -21.364 -11.285 -16.009 260 HH21 ARG 41 HH11 ARG 41 -20.717 -7.890 -15.725 261 HH22 ARG 41 HH12 ARG 41 -21.828 -9.092 -16.293 262 H ASN 42 HN ASN 42 -15.528 -5.931 -14.048 263 HA ASN 42 HA ASN 42 -14.402 -6.724 -16.561 264 HB2 ASN 42 HB2 ASN 42 -16.060 -4.931 -16.444 265 HB3 ASN 42 HB1 ASN 42 -14.971 -3.968 -15.448 266 HD21 ASN 42 HD21 ASN 42 -12.910 -3.232 -16.497 267 HD22 ASN 42 HD22 ASN 42 -12.855 -3.062 -18.185 268 H ARG 43 HN ARG 43 -13.181 -4.976 -13.731 269 HA ARG 43 HA ARG 43 -10.730 -4.170 -14.849 270 HB2 ARG 43 HB2 ARG 43 -11.693 -3.241 -12.758 271 HB3 ARG 43 HB1 ARG 43 -11.371 -4.774 -11.953 272 HG2 ARG 43 HG2 ARG 43 -9.573 -3.193 -11.455 273 HG3 ARG 43 HG1 ARG 43 -8.944 -4.500 -12.451 274 HD2 ARG 43 HD2 ARG 43 -8.714 -3.138 -14.328 275 HD3 ARG 43 HD1 ARG 43 -9.981 -2.027 -13.812 276 HE ARG 43 HE ARG 43 -7.186 -1.871 -13.142 277 HH11 ARG 43 HH21 ARG 43 -10.421 -1.185 -12.120 278 HH12 ARG 43 HH22 ARG 43 -9.965 0.137 -11.098 279 HH21 ARG 43 HH11 ARG 43 -6.581 -0.139 -11.804 280 HH22 ARG 43 HH12 ARG 43 -7.791 0.729 -10.920 281 H VAL 44 HN VAL 44 -11.571 -7.034 -12.877 282 HA VAL 44 HA VAL 44 -8.962 -8.094 -12.850 283 HB VAL 44 HB VAL 44 -10.009 -10.247 -12.248 284 HG11 VAL 44 HG11 VAL 44 -9.731 -8.793 -10.400 285 HG12 VAL 44 HG12 VAL 44 -11.415 -9.299 -10.294 286 HG13 VAL 44 HG13 VAL 44 -11.012 -7.711 -10.947 287 HG21 VAL 44 HG21 VAL 44 -11.935 -10.301 -13.674 288 HG22 VAL 44 HG22 VAL 44 -12.526 -8.772 -13.031 289 HG23 VAL 44 HG23 VAL 44 -12.547 -10.213 -12.021 290 H GLU 45 HN GLU 45 -11.699 -8.661 -15.042 291 HA GLU 45 HA GLU 45 -10.639 -10.647 -16.639 292 HB2 GLU 45 HB2 GLU 45 -12.923 -9.846 -16.936 293 HB3 GLU 45 HB1 GLU 45 -12.328 -8.284 -17.499 294 HG2 GLU 45 HG2 GLU 45 -11.381 -9.251 -19.473 295 HG3 GLU 45 HG1 GLU 45 -11.615 -10.888 -18.862 296 H LYS 46 HN LYS 46 -10.239 -7.109 -17.082 297 HA LYS 46 HA LYS 46 -8.449 -7.407 -19.295 298 HB2 LYS 46 HB2 LYS 46 -9.136 -5.091 -17.481 299 HB3 LYS 46 HB1 LYS 46 -7.982 -4.952 -18.806 300 HG2 LYS 46 HG2 LYS 46 -10.695 -6.130 -19.389 301 HG3 LYS 46 HG1 LYS 46 -10.562 -4.384 -19.192 302 HD2 LYS 46 HD2 LYS 46 -8.903 -4.253 -20.966 303 HD3 LYS 46 HD1 LYS 46 -8.860 -6.011 -21.105 304 HE2 LYS 46 HE2 LYS 46 -10.327 -4.682 -22.792 305 HE3 LYS 46 HE1 LYS 46 -11.018 -6.116 -22.035 306 HZ1 LYS 46 HZ1 LYS 46 -12.343 -3.911 -22.057 307 HZ2 LYS 46 HZ2 LYS 46 -11.344 -3.493 -20.748 308 HZ3 LYS 46 HZ3 LYS 46 -12.337 -4.868 -20.657 309 H ALA 47 HN ALA 47 -8.064 -7.099 -15.817 310 HA ALA 47 HA ALA 47 -5.250 -6.603 -15.863 311 HB1 ALA 47 HB1 ALA 47 -6.907 -6.113 -13.961 312 HB2 ALA 47 HB2 ALA 47 -5.333 -6.771 -13.515 313 HB3 ALA 47 HB3 ALA 47 -6.749 -7.822 -13.552 314 H ALA 48 HN ALA 48 -7.203 -9.435 -16.147 315 HA ALA 48 HA ALA 48 -5.271 -11.331 -15.220 316 HB1 ALA 48 HB1 ALA 48 -7.599 -11.730 -17.112 317 HB2 ALA 48 HB2 ALA 48 -7.684 -11.844 -15.354 318 HB3 ALA 48 HB3 ALA 48 -6.716 -13.002 -16.267 319 H ARG 49 HN ARG 49 -6.066 -9.933 -18.370 320 HA ARG 49 HA ARG 49 -4.314 -11.638 -19.859 321 HB2 ARG 49 HB2 ARG 49 -6.256 -10.450 -20.864 322 HB3 ARG 49 HB1 ARG 49 -5.417 -8.918 -20.607 323 HG2 ARG 49 HG2 ARG 49 -3.561 -9.673 -22.041 324 HG3 ARG 49 HG1 ARG 49 -4.363 -11.226 -22.279 325 HD2 ARG 49 HD2 ARG 49 -4.904 -9.907 -24.197 326 HD3 ARG 49 HD1 ARG 49 -6.349 -9.920 -23.190 327 HE ARG 49 HE ARG 49 -6.070 -7.637 -22.851 328 HH11 ARG 49 HH21 ARG 49 -3.197 -9.075 -24.139 329 HH12 ARG 49 HH22 ARG 49 -2.396 -7.564 -24.406 330 HH21 ARG 49 HH11 ARG 49 -5.024 -5.651 -23.199 331 HH22 ARG 49 HH12 ARG 49 -3.429 -5.626 -23.875 332 H GLU 50 HN GLU 50 -4.041 -8.429 -18.404 333 HA GLU 50 HA GLU 50 -1.628 -7.594 -19.494 334 HB2 GLU 50 HB2 GLU 50 -3.124 -6.217 -18.043 335 HB3 GLU 50 HB1 GLU 50 -2.562 -7.145 -16.648 336 HG2 GLU 50 HG2 GLU 50 -0.271 -6.434 -17.041 337 HG3 GLU 50 HG1 GLU 50 -0.749 -5.607 -18.523 338 H VAL 51 HN VAL 51 -2.214 -9.589 -16.606 339 HA VAL 51 HA VAL 51 0.590 -9.920 -16.050 340 HB VAL 51 HB VAL 51 -0.204 -11.603 -14.397 341 HG11 VAL 51 HG11 VAL 51 -1.204 -10.013 -12.936 342 HG12 VAL 51 HG12 VAL 51 -1.921 -9.119 -14.277 343 HG13 VAL 51 HG13 VAL 51 -0.178 -9.066 -14.012 344 HG21 VAL 51 HG21 VAL 51 -2.130 -12.430 -15.730 345 HG22 VAL 51 HG22 VAL 51 -2.936 -10.880 -15.496 346 HG23 VAL 51 HG23 VAL 51 -2.624 -11.928 -14.113 347 H GLY 52 HN GLY 52 -1.271 -11.074 -18.488 348 HA2 GLY 52 HA2 GLY 52 -1.209 -12.921 -19.875 349 HA3 GLY 52 HA1 GLY 52 0.526 -12.796 -19.614 350 H TYR 53 HN TYR 53 -2.206 -13.770 -17.531 351 HA TYR 53 HA TYR 53 -0.653 -15.974 -16.449 352 HB2 TYR 53 HB2 TYR 53 -2.170 -14.657 -15.002 353 HB3 TYR 53 HB1 TYR 53 -3.545 -15.219 -15.955 354 HD1 TYR 53 HD2 TYR 53 -0.596 -16.514 -14.040 355 HD2 TYR 53 HD1 TYR 53 -4.626 -17.217 -15.351 356 HE1 TYR 53 HE2 TYR 53 -0.674 -18.588 -12.685 357 HE2 TYR 53 HE1 TYR 53 -4.704 -19.292 -13.994 358 HH TYR 53 HH TYR 53 -2.059 -20.168 -11.823 359 H LEU 54 HN LEU 54 -0.708 -18.029 -17.110 360 HA LEU 54 HA LEU 54 -2.931 -18.932 -18.842 361 HB2 LEU 54 HB2 LEU 54 0.043 -19.178 -19.285 362 HB3 LEU 54 HB1 LEU 54 -1.086 -20.288 -20.054 363 HG LEU 54 HG LEU 54 -1.613 -17.329 -20.288 364 HD11 LEU 54 HD11 LEU 54 0.396 -18.845 -21.979 365 HD12 LEU 54 HD12 LEU 54 0.778 -17.553 -20.842 366 HD13 LEU 54 HD13 LEU 54 -0.174 -17.205 -22.284 367 HD21 LEU 54 HD21 LEU 54 -3.253 -18.893 -21.221 368 HD22 LEU 54 HD22 LEU 54 -1.989 -19.718 -22.130 369 HD23 LEU 54 HD23 LEU 54 -2.430 -18.061 -22.537 370 HA PRO 55 HA PRO 55 -2.941 -22.387 -16.059 371 HB2 PRO 55 HB2 PRO 55 -4.040 -24.351 -17.602 372 HB3 PRO 55 HB1 PRO 55 -4.977 -22.960 -17.016 373 HG2 PRO 55 HG2 PRO 55 -3.723 -23.388 -19.700 374 HG3 PRO 55 HG1 PRO 55 -5.335 -22.762 -19.303 375 HD2 PRO 55 HD2 PRO 55 -3.255 -21.118 -19.951 376 HD3 PRO 55 HD1 PRO 55 -4.536 -20.630 -18.819 Start of MODEL 5 1 H ALA 9 HT1 ALA 9 7.497 -14.410 -11.021 2 HA ALA 9 HA ALA 9 6.390 -12.924 -12.201 3 HB1 ALA 9 HB1 ALA 9 4.368 -15.064 -12.887 4 HB2 ALA 9 HB2 ALA 9 5.984 -15.040 -13.592 5 HB3 ALA 9 HB3 ALA 9 4.880 -13.696 -13.876 6 H ALA 10 HN ALA 10 3.581 -12.712 -12.760 7 HA ALA 10 HA ALA 10 2.524 -12.109 -10.047 8 HB1 ALA 10 HB1 ALA 10 1.156 -10.362 -11.314 9 HB2 ALA 10 HB2 ALA 10 2.235 -10.656 -12.678 10 HB3 ALA 10 HB3 ALA 10 2.883 -10.040 -11.158 11 H THR 11 HN THR 11 1.607 -14.254 -9.974 12 HA THR 11 HA THR 11 -0.170 -15.291 -11.893 13 HB THR 11 HB THR 11 -1.080 -16.591 -9.847 14 HG1 THR 11 HG1 THR 11 0.621 -16.399 -8.134 15 HG21 THR 11 HG21 THR 11 0.474 -17.738 -11.197 16 HG22 THR 11 HG22 THR 11 1.209 -17.781 -9.595 17 HG23 THR 11 HG23 THR 11 1.784 -16.626 -10.797 18 H MET 12 HN MET 12 -2.544 -15.681 -11.422 19 HA MET 12 HA MET 12 -3.948 -13.260 -11.461 20 HB2 MET 12 HB2 MET 12 -4.790 -15.440 -12.340 21 HB3 MET 12 HB1 MET 12 -5.053 -15.965 -10.677 22 HG2 MET 12 HG2 MET 12 -6.573 -14.054 -10.313 23 HG3 MET 12 HG1 MET 12 -6.319 -13.536 -11.980 24 HE1 MET 12 HE1 MET 12 -9.836 -14.676 -12.396 25 HE2 MET 12 HE2 MET 12 -8.710 -13.375 -12.022 26 HE3 MET 12 HE3 MET 12 -9.395 -14.340 -10.717 27 H LYS 13 HN LYS 13 -2.853 -15.211 -8.817 28 HA LYS 13 HA LYS 13 -4.643 -14.242 -6.828 29 HB2 LYS 13 HB2 LYS 13 -1.927 -15.555 -6.724 30 HB3 LYS 13 HB1 LYS 13 -2.758 -15.025 -5.261 31 HG2 LYS 13 HG2 LYS 13 -4.659 -16.450 -5.753 32 HG3 LYS 13 HG1 LYS 13 -3.975 -16.888 -7.319 33 HD2 LYS 13 HD2 LYS 13 -2.073 -17.970 -6.220 34 HD3 LYS 13 HD1 LYS 13 -2.688 -17.485 -4.640 35 HE2 LYS 13 HE2 LYS 13 -4.325 -19.155 -6.554 36 HE3 LYS 13 HE1 LYS 13 -3.227 -19.880 -5.380 37 HZ1 LYS 13 HZ1 LYS 13 -5.717 -18.405 -4.936 38 HZ2 LYS 13 HZ2 LYS 13 -4.492 -18.278 -3.764 39 HZ3 LYS 13 HZ3 LYS 13 -5.134 -19.799 -4.165 40 H ASP 14 HN ASP 14 -1.448 -13.209 -7.979 41 HA ASP 14 HA ASP 14 -1.000 -11.232 -6.030 42 HB2 ASP 14 HB2 ASP 14 -0.003 -11.561 -8.860 43 HB3 ASP 14 HB1 ASP 14 0.534 -10.256 -7.804 44 H VAL 15 HN VAL 15 -2.715 -11.195 -9.117 45 HA VAL 15 HA VAL 15 -3.049 -8.437 -9.395 46 HB VAL 15 HB VAL 15 -4.874 -10.717 -10.203 47 HG11 VAL 15 HG11 VAL 15 -6.187 -8.714 -10.239 48 HG12 VAL 15 HG12 VAL 15 -5.693 -9.020 -11.902 49 HG13 VAL 15 HG13 VAL 15 -4.871 -7.783 -10.955 50 HG21 VAL 15 HG21 VAL 15 -3.771 -10.044 -12.493 51 HG22 VAL 15 HG22 VAL 15 -2.861 -11.049 -11.370 52 HG23 VAL 15 HG23 VAL 15 -2.523 -9.323 -11.480 53 H ALA 16 HN ALA 16 -5.060 -10.827 -7.692 54 HA ALA 16 HA ALA 16 -7.180 -9.199 -6.940 55 HB1 ALA 16 HB1 ALA 16 -7.463 -10.731 -5.016 56 HB2 ALA 16 HB2 ALA 16 -5.870 -11.414 -5.342 57 HB3 ALA 16 HB3 ALA 16 -7.170 -11.607 -6.518 58 H LEU 17 HN LEU 17 -4.013 -9.586 -5.447 59 HA LEU 17 HA LEU 17 -4.411 -8.115 -3.107 60 HB2 LEU 17 HB2 LEU 17 -2.356 -9.482 -3.797 61 HB3 LEU 17 HB1 LEU 17 -1.849 -8.049 -4.690 62 HG LEU 17 HG LEU 17 -2.320 -6.806 -2.398 63 HD11 LEU 17 HD11 LEU 17 -1.721 -8.284 -0.461 64 HD12 LEU 17 HD12 LEU 17 -1.842 -9.680 -1.529 65 HD13 LEU 17 HD13 LEU 17 -3.270 -8.704 -1.187 66 HD21 LEU 17 HD21 LEU 17 0.092 -8.611 -2.802 67 HD22 LEU 17 HD22 LEU 17 0.035 -7.201 -1.744 68 HD23 LEU 17 HD23 LEU 17 -0.107 -7.000 -3.492 69 H LYS 18 HN LYS 18 -3.374 -6.999 -6.319 70 HA LYS 18 HA LYS 18 -3.091 -4.269 -5.570 71 HB2 LYS 18 HB2 LYS 18 -2.078 -5.419 -7.598 72 HB3 LYS 18 HB1 LYS 18 -3.668 -5.294 -8.350 73 HG2 LYS 18 HG2 LYS 18 -3.576 -2.793 -7.786 74 HG3 LYS 18 HG1 LYS 18 -1.863 -3.041 -7.444 75 HD2 LYS 18 HD2 LYS 18 -3.270 -3.616 -10.069 76 HD3 LYS 18 HD1 LYS 18 -2.126 -2.309 -9.759 77 HE2 LYS 18 HE2 LYS 18 -1.592 -5.275 -9.884 78 HE3 LYS 18 HE1 LYS 18 -0.809 -3.980 -10.790 79 HZ1 LYS 18 HZ1 LYS 18 0.735 -4.414 -9.175 80 HZ2 LYS 18 HZ2 LYS 18 -0.425 -4.788 -7.991 81 HZ3 LYS 18 HZ3 LYS 18 -0.148 -3.170 -8.431 82 H ALA 19 HN ALA 19 -5.788 -6.179 -6.792 83 HA ALA 19 HA ALA 19 -7.479 -3.800 -7.070 84 HB1 ALA 19 HB1 ALA 19 -9.194 -5.713 -7.668 85 HB2 ALA 19 HB2 ALA 19 -7.736 -6.695 -7.811 86 HB3 ALA 19 HB3 ALA 19 -7.934 -5.265 -8.820 87 H LYS 20 HN LYS 20 -6.506 -5.700 -4.564 88 HA LYS 20 HA LYS 20 -7.377 -6.261 -2.495 89 HB2 LYS 20 HB2 LYS 20 -8.703 -3.605 -3.069 90 HB3 LYS 20 HB1 LYS 20 -8.763 -4.404 -1.495 91 HG2 LYS 20 HG2 LYS 20 -6.405 -4.227 -1.193 92 HG3 LYS 20 HG1 LYS 20 -6.133 -3.862 -2.899 93 HD2 LYS 20 HD2 LYS 20 -7.252 -1.708 -2.657 94 HD3 LYS 20 HD1 LYS 20 -7.645 -2.071 -0.977 95 HE2 LYS 20 HE2 LYS 20 -5.165 -2.296 -0.537 96 HE3 LYS 20 HE1 LYS 20 -4.887 -1.678 -2.166 97 HZ1 LYS 20 HZ1 LYS 20 -6.720 0.018 -0.948 98 HZ2 LYS 20 HZ2 LYS 20 -5.106 0.356 -1.364 99 HZ3 LYS 20 HZ3 LYS 20 -5.481 -0.242 0.183 100 H VAL 21 HN VAL 21 -8.652 -7.646 -4.475 101 HA VAL 21 HA VAL 21 -11.489 -7.392 -4.412 102 HB VAL 21 HB VAL 21 -9.890 -9.863 -5.088 103 HG11 VAL 21 HG11 VAL 21 -12.649 -8.882 -5.879 104 HG12 VAL 21 HG12 VAL 21 -12.299 -10.227 -4.795 105 HG13 VAL 21 HG13 VAL 21 -11.875 -10.339 -6.503 106 HG21 VAL 21 HG21 VAL 21 -9.887 -9.038 -7.382 107 HG22 VAL 21 HG22 VAL 21 -9.143 -7.826 -6.339 108 HG23 VAL 21 HG23 VAL 21 -10.801 -7.606 -6.902 109 H SER 22 HN SER 22 -9.762 -10.280 -3.343 110 HA SER 22 HA SER 22 -10.297 -10.349 -0.661 111 HB2 SER 22 HB2 SER 22 -12.607 -10.149 -0.715 112 HB3 SER 22 HB1 SER 22 -12.737 -10.918 -2.293 113 HG SER 22 HG SER 22 -13.467 -12.224 -0.506 114 H THR 23 HN THR 23 -9.465 -12.173 0.196 115 HA THR 23 HA THR 23 -8.125 -14.030 -1.438 116 HB THR 23 HB THR 23 -8.924 -14.452 1.447 117 HG1 THR 23 HG1 THR 23 -7.943 -12.410 1.117 118 HG21 THR 23 HG21 THR 23 -7.907 -16.372 0.228 119 HG22 THR 23 HG22 THR 23 -6.873 -15.772 1.526 120 HG23 THR 23 HG23 THR 23 -6.514 -15.359 -0.151 121 H ALA 24 HN ALA 24 -11.364 -14.021 -0.112 122 HA ALA 24 HA ALA 24 -11.820 -16.837 -0.523 123 HB1 ALA 24 HB1 ALA 24 -14.126 -16.333 0.072 124 HB2 ALA 24 HB2 ALA 24 -13.816 -14.604 -0.092 125 HB3 ALA 24 HB3 ALA 24 -13.034 -15.522 1.195 126 H THR 25 HN THR 25 -12.561 -13.852 -2.260 127 HA THR 25 HA THR 25 -14.256 -14.915 -4.235 128 HB THR 25 HB THR 25 -13.382 -13.001 -5.659 129 HG1 THR 25 HG1 THR 25 -11.440 -12.475 -5.017 130 HG21 THR 25 HG21 THR 25 -14.267 -11.258 -4.045 131 HG22 THR 25 HG22 THR 25 -14.355 -12.537 -2.833 132 HG23 THR 25 HG23 THR 25 -15.328 -12.644 -4.300 133 H VAL 26 HN VAL 26 -10.801 -14.120 -4.683 134 HA VAL 26 HA VAL 26 -10.413 -15.478 -7.054 135 HB VAL 26 HB VAL 26 -8.814 -13.919 -5.801 136 HG11 VAL 26 HG11 VAL 26 -7.777 -16.497 -4.610 137 HG12 VAL 26 HG12 VAL 26 -8.859 -15.427 -3.720 138 HG13 VAL 26 HG13 VAL 26 -7.278 -14.846 -4.240 139 HG21 VAL 26 HG21 VAL 26 -7.918 -16.469 -7.162 140 HG22 VAL 26 HG22 VAL 26 -6.789 -15.185 -6.732 141 HG23 VAL 26 HG23 VAL 26 -8.096 -14.863 -7.871 142 H SER 27 HN SER 27 -10.544 -16.745 -3.789 143 HA SER 27 HA SER 27 -9.498 -19.340 -4.463 144 HB2 SER 27 HB2 SER 27 -9.359 -18.415 -2.173 145 HB3 SER 27 HB1 SER 27 -11.115 -18.468 -2.056 146 HG SER 27 HG SER 27 -10.605 -20.821 -2.787 147 H ARG 28 HN ARG 28 -12.696 -17.886 -4.175 148 HA ARG 28 HA ARG 28 -14.093 -20.392 -4.529 149 HB2 ARG 28 HB2 ARG 28 -15.009 -17.509 -4.580 150 HB3 ARG 28 HB1 ARG 28 -16.098 -18.882 -4.757 151 HG2 ARG 28 HG2 ARG 28 -14.220 -18.837 -2.403 152 HG3 ARG 28 HG1 ARG 28 -15.646 -17.803 -2.362 153 HD2 ARG 28 HD2 ARG 28 -15.791 -20.761 -2.985 154 HD3 ARG 28 HD1 ARG 28 -15.950 -20.118 -1.355 155 HE ARG 28 HE ARG 28 -17.778 -18.684 -2.792 156 HH11 ARG 28 HH21 ARG 28 -17.070 -22.044 -2.367 157 HH12 ARG 28 HH22 ARG 28 -18.709 -22.560 -2.586 158 HH21 ARG 28 HH11 ARG 28 -19.930 -19.351 -3.080 159 HH22 ARG 28 HH12 ARG 28 -20.328 -21.035 -2.989 160 H ALA 29 HN ALA 29 -12.654 -18.026 -6.542 161 HA ALA 29 HA ALA 29 -14.268 -18.412 -8.872 162 HB1 ALA 29 HB1 ALA 29 -11.438 -17.365 -8.616 163 HB2 ALA 29 HB2 ALA 29 -12.905 -16.389 -8.553 164 HB3 ALA 29 HB3 ALA 29 -12.464 -17.222 -10.042 165 H LEU 30 HN LEU 30 -11.746 -20.203 -7.375 166 HA LEU 30 HA LEU 30 -10.628 -21.486 -9.639 167 HB2 LEU 30 HB2 LEU 30 -10.937 -22.730 -6.905 168 HB3 LEU 30 HB1 LEU 30 -9.683 -23.042 -8.105 169 HG LEU 30 HG LEU 30 -10.111 -20.409 -6.653 170 HD11 LEU 30 HD11 LEU 30 -7.975 -20.937 -5.544 171 HD12 LEU 30 HD12 LEU 30 -7.904 -22.480 -6.391 172 HD13 LEU 30 HD13 LEU 30 -9.173 -22.184 -5.202 173 HD21 LEU 30 HD21 LEU 30 -7.785 -19.985 -7.720 174 HD22 LEU 30 HD22 LEU 30 -9.194 -19.868 -8.769 175 HD23 LEU 30 HD23 LEU 30 -8.190 -21.317 -8.804 176 H MET 31 HN MET 31 -13.635 -21.844 -8.000 177 HA MET 31 HA MET 31 -14.265 -24.258 -9.621 178 HB2 MET 31 HB2 MET 31 -15.906 -24.840 -7.823 179 HB3 MET 31 HB1 MET 31 -14.229 -24.893 -7.283 180 HG2 MET 31 HG2 MET 31 -14.440 -22.926 -6.021 181 HG3 MET 31 HG1 MET 31 -15.845 -22.371 -6.932 182 HE1 MET 31 HE1 MET 31 -14.426 -24.144 -4.014 183 HE2 MET 31 HE2 MET 31 -14.690 -25.605 -4.963 184 HE3 MET 31 HE3 MET 31 -15.615 -25.344 -3.486 185 H ASN 32 HN ASN 32 -14.982 -21.009 -8.960 186 HA ASN 32 HA ASN 32 -17.258 -21.088 -10.788 187 HB2 ASN 32 HB2 ASN 32 -18.163 -21.434 -8.450 188 HB3 ASN 32 HB1 ASN 32 -17.560 -19.826 -8.058 189 HD21 ASN 32 HD21 ASN 32 -18.948 -20.711 -11.226 190 HD22 ASN 32 HD22 ASN 32 -20.312 -19.714 -11.082 191 HA PRO 33 HA PRO 33 -14.597 -17.284 -11.013 192 HB2 PRO 33 HB2 PRO 33 -13.483 -17.669 -13.445 193 HB3 PRO 33 HB1 PRO 33 -12.846 -18.467 -11.994 194 HG2 PRO 33 HG2 PRO 33 -14.588 -19.577 -14.149 195 HG3 PRO 33 HG1 PRO 33 -13.234 -20.335 -13.294 196 HD2 PRO 33 HD2 PRO 33 -15.923 -20.763 -12.678 197 HD3 PRO 33 HD1 PRO 33 -14.578 -21.046 -11.550 198 H ASP 34 HN ASP 34 -14.819 -15.442 -12.442 199 HA ASP 34 HA ASP 34 -15.892 -14.040 -13.952 200 HB2 ASP 34 HB2 ASP 34 -17.724 -16.250 -14.857 201 HB3 ASP 34 HB1 ASP 34 -17.082 -14.886 -15.767 202 H LYS 35 HN LYS 35 -16.757 -14.807 -11.194 203 HA LYS 35 HA LYS 35 -19.529 -13.759 -11.343 204 HB2 LYS 35 HB2 LYS 35 -18.490 -15.728 -9.293 205 HB3 LYS 35 HB1 LYS 35 -20.142 -15.131 -9.446 206 HG2 LYS 35 HG2 LYS 35 -18.708 -16.677 -11.627 207 HG3 LYS 35 HG1 LYS 35 -19.766 -17.428 -10.434 208 HD2 LYS 35 HD2 LYS 35 -21.539 -15.699 -11.208 209 HD3 LYS 35 HD1 LYS 35 -20.490 -15.459 -12.604 210 HE2 LYS 35 HE2 LYS 35 -20.549 -18.005 -12.895 211 HE3 LYS 35 HE1 LYS 35 -21.884 -17.995 -11.743 212 HZ1 LYS 35 HZ1 LYS 35 -23.258 -17.319 -13.323 213 HZ2 LYS 35 HZ2 LYS 35 -22.009 -17.500 -14.460 214 HZ3 LYS 35 HZ3 LYS 35 -22.267 -15.998 -13.709 215 H VAL 36 HN VAL 36 -16.696 -12.665 -10.862 216 HA VAL 36 HA VAL 36 -16.790 -11.695 -8.150 217 HB VAL 36 HB VAL 36 -14.837 -10.385 -8.774 218 HG11 VAL 36 HG11 VAL 36 -14.583 -12.841 -8.378 219 HG12 VAL 36 HG12 VAL 36 -13.363 -12.195 -9.475 220 HG13 VAL 36 HG13 VAL 36 -14.733 -13.103 -10.115 221 HG21 VAL 36 HG21 VAL 36 -14.037 -10.563 -11.188 222 HG22 VAL 36 HG22 VAL 36 -15.463 -9.557 -10.936 223 HG23 VAL 36 HG23 VAL 36 -15.638 -11.188 -11.581 224 H SER 37 HN SER 37 -16.864 -9.358 -7.694 225 HA SER 37 HA SER 37 -19.208 -8.146 -8.375 226 HB2 SER 37 HB2 SER 37 -17.836 -7.332 -6.540 227 HB3 SER 37 HB1 SER 37 -16.593 -6.799 -7.669 228 HG SER 37 HG SER 37 -19.238 -5.830 -7.353 229 H GLN 38 HN GLN 38 -19.896 -6.622 -9.852 230 HA GLN 38 HA GLN 38 -19.155 -6.853 -12.482 231 HB2 GLN 38 HB2 GLN 38 -20.417 -4.844 -12.926 232 HB3 GLN 38 HB1 GLN 38 -21.222 -5.704 -11.612 233 HG2 GLN 38 HG2 GLN 38 -19.868 -4.235 -10.013 234 HG3 GLN 38 HG1 GLN 38 -19.454 -3.259 -11.421 235 HE21 GLN 38 HE21 GLN 38 -21.772 -3.638 -8.969 236 HE22 GLN 38 HE22 GLN 38 -23.017 -2.723 -9.672 237 H ALA 39 HN ALA 39 -17.963 -4.447 -10.141 238 HA ALA 39 HA ALA 39 -16.301 -3.063 -11.978 239 HB1 ALA 39 HB1 ALA 39 -16.887 -2.156 -9.740 240 HB2 ALA 39 HB2 ALA 39 -15.140 -2.192 -9.987 241 HB3 ALA 39 HB3 ALA 39 -15.914 -3.421 -8.987 242 H THR 40 HN THR 40 -15.531 -5.596 -9.589 243 HA THR 40 HA THR 40 -12.855 -5.961 -10.397 244 HB THR 40 HB THR 40 -14.729 -7.931 -9.066 245 HG1 THR 40 HG1 THR 40 -13.565 -5.641 -8.256 246 HG21 THR 40 HG21 THR 40 -11.704 -7.807 -9.256 247 HG22 THR 40 HG22 THR 40 -12.749 -9.046 -9.951 248 HG23 THR 40 HG23 THR 40 -12.597 -8.904 -8.205 249 H ARG 41 HN ARG 41 -15.841 -7.030 -11.758 250 HA ARG 41 HA ARG 41 -14.832 -9.301 -13.173 251 HB2 ARG 41 HB2 ARG 41 -17.247 -8.994 -12.734 252 HB3 ARG 41 HB1 ARG 41 -17.247 -7.579 -13.789 253 HG2 ARG 41 HG2 ARG 41 -16.758 -8.882 -15.717 254 HG3 ARG 41 HG1 ARG 41 -16.304 -10.284 -14.749 255 HD2 ARG 41 HD2 ARG 41 -18.557 -10.710 -14.118 256 HD3 ARG 41 HD1 ARG 41 -19.090 -9.123 -14.666 257 HE ARG 41 HE ARG 41 -19.339 -10.035 -16.775 258 HH11 ARG 41 HH21 ARG 41 -17.102 -11.902 -14.907 259 HH12 ARG 41 HH22 ARG 41 -16.887 -13.115 -16.124 260 HH21 ARG 41 HH11 ARG 41 -19.062 -11.623 -18.374 261 HH22 ARG 41 HH12 ARG 41 -17.997 -12.958 -18.086 262 H ASN 42 HN ASN 42 -15.396 -5.911 -14.040 263 HA ASN 42 HA ASN 42 -14.424 -6.254 -16.712 264 HB2 ASN 42 HB2 ASN 42 -14.763 -3.705 -15.118 265 HB3 ASN 42 HB1 ASN 42 -14.576 -3.824 -16.866 266 HD21 ASN 42 HD21 ASN 42 -16.930 -3.034 -14.896 267 HD22 ASN 42 HD22 ASN 42 -18.252 -3.858 -15.568 268 H ARG 43 HN ARG 43 -13.020 -4.940 -13.707 269 HA ARG 43 HA ARG 43 -10.581 -4.129 -14.858 270 HB2 ARG 43 HB2 ARG 43 -11.284 -4.890 -12.018 271 HB3 ARG 43 HB1 ARG 43 -9.762 -4.139 -12.502 272 HG2 ARG 43 HG2 ARG 43 -11.022 -2.224 -13.446 273 HG3 ARG 43 HG1 ARG 43 -12.529 -2.965 -12.906 274 HD2 ARG 43 HD2 ARG 43 -11.903 -1.360 -11.232 275 HD3 ARG 43 HD1 ARG 43 -11.581 -2.957 -10.561 276 HE ARG 43 HE ARG 43 -9.208 -2.209 -11.732 277 HH11 ARG 43 HH21 ARG 43 -11.389 -0.871 -9.402 278 HH12 ARG 43 HH22 ARG 43 -10.152 -0.036 -8.521 279 HH21 ARG 43 HH11 ARG 43 -7.582 -1.117 -10.582 280 HH22 ARG 43 HH12 ARG 43 -7.997 -0.175 -9.189 281 H VAL 44 HN VAL 44 -11.524 -7.179 -13.240 282 HA VAL 44 HA VAL 44 -8.921 -8.278 -13.341 283 HB VAL 44 HB VAL 44 -10.859 -9.118 -11.917 284 HG11 VAL 44 HG11 VAL 44 -12.432 -9.292 -13.906 285 HG12 VAL 44 HG12 VAL 44 -12.378 -10.710 -12.867 286 HG13 VAL 44 HG13 VAL 44 -11.517 -10.712 -14.405 287 HG21 VAL 44 HG21 VAL 44 -10.053 -11.455 -12.031 288 HG22 VAL 44 HG22 VAL 44 -8.716 -10.308 -12.106 289 HG23 VAL 44 HG23 VAL 44 -9.278 -11.106 -13.575 290 H GLU 45 HN GLU 45 -11.668 -8.436 -15.577 291 HA GLU 45 HA GLU 45 -10.737 -10.317 -17.374 292 HB2 GLU 45 HB2 GLU 45 -12.945 -9.318 -17.610 293 HB3 GLU 45 HB1 GLU 45 -12.226 -7.747 -17.974 294 HG2 GLU 45 HG2 GLU 45 -11.314 -8.542 -20.039 295 HG3 GLU 45 HG1 GLU 45 -11.671 -10.218 -19.629 296 H LYS 46 HN LYS 46 -10.068 -6.797 -17.407 297 HA LYS 46 HA LYS 46 -8.254 -6.977 -19.616 298 HB2 LYS 46 HB2 LYS 46 -9.441 -4.896 -19.092 299 HB3 LYS 46 HB1 LYS 46 -8.615 -4.803 -17.537 300 HG2 LYS 46 HG2 LYS 46 -6.475 -4.509 -18.597 301 HG3 LYS 46 HG1 LYS 46 -7.141 -4.895 -20.185 302 HD2 LYS 46 HD2 LYS 46 -8.423 -2.872 -20.240 303 HD3 LYS 46 HD1 LYS 46 -8.100 -2.545 -18.537 304 HE2 LYS 46 HE2 LYS 46 -5.819 -2.031 -18.956 305 HE3 LYS 46 HE1 LYS 46 -5.872 -2.746 -20.568 306 HZ1 LYS 46 HZ1 LYS 46 -5.958 -0.294 -20.569 307 HZ2 LYS 46 HZ2 LYS 46 -7.439 -0.366 -19.741 308 HZ3 LYS 46 HZ3 LYS 46 -7.307 -1.006 -21.309 309 H ALA 47 HN ALA 47 -7.912 -7.038 -16.112 310 HA ALA 47 HA ALA 47 -5.093 -6.742 -16.016 311 HB1 ALA 47 HB1 ALA 47 -5.264 -7.228 -13.731 312 HB2 ALA 47 HB2 ALA 47 -6.675 -8.259 -13.956 313 HB3 ALA 47 HB3 ALA 47 -6.827 -6.510 -14.111 314 H ALA 48 HN ALA 48 -7.126 -9.403 -16.837 315 HA ALA 48 HA ALA 48 -5.307 -11.504 -16.150 316 HB1 ALA 48 HB1 ALA 48 -7.647 -12.031 -16.418 317 HB2 ALA 48 HB2 ALA 48 -6.750 -12.866 -17.688 318 HB3 ALA 48 HB3 ALA 48 -7.649 -11.394 -18.063 319 H ARG 49 HN ARG 49 -6.101 -9.811 -19.176 320 HA ARG 49 HA ARG 49 -4.131 -11.215 -20.715 321 HB2 ARG 49 HB2 ARG 49 -6.102 -10.285 -21.798 322 HB3 ARG 49 HB1 ARG 49 -5.652 -8.660 -21.279 323 HG2 ARG 49 HG2 ARG 49 -3.685 -8.670 -22.668 324 HG3 ARG 49 HG1 ARG 49 -3.863 -10.392 -23.008 325 HD2 ARG 49 HD2 ARG 49 -4.658 -8.791 -24.840 326 HD3 ARG 49 HD1 ARG 49 -5.799 -10.037 -24.341 327 HE ARG 49 HE ARG 49 -6.305 -7.800 -22.752 328 HH11 ARG 49 HH21 ARG 49 -6.318 -8.693 -26.095 329 HH12 ARG 49 HH22 ARG 49 -7.580 -7.588 -26.529 330 HH21 ARG 49 HH11 ARG 49 -7.958 -6.348 -23.312 331 HH22 ARG 49 HH12 ARG 49 -8.508 -6.259 -24.951 332 H GLU 50 HN GLU 50 -4.277 -8.025 -19.157 333 HA GLU 50 HA GLU 50 -1.851 -7.012 -20.149 334 HB2 GLU 50 HB2 GLU 50 -3.404 -6.454 -17.621 335 HB3 GLU 50 HB1 GLU 50 -1.914 -5.597 -18.014 336 HG2 GLU 50 HG2 GLU 50 -2.940 -4.946 -20.217 337 HG3 GLU 50 HG1 GLU 50 -4.454 -5.671 -19.676 338 H VAL 51 HN VAL 51 -2.518 -8.718 -17.077 339 HA VAL 51 HA VAL 51 0.273 -8.811 -16.384 340 HB VAL 51 HB VAL 51 -2.063 -10.335 -15.185 341 HG11 VAL 51 HG11 VAL 51 -0.449 -10.262 -13.173 342 HG12 VAL 51 HG12 VAL 51 0.803 -9.863 -14.350 343 HG13 VAL 51 HG13 VAL 51 -0.064 -11.394 -14.469 344 HG21 VAL 51 HG21 VAL 51 -2.145 -7.753 -15.220 345 HG22 VAL 51 HG22 VAL 51 -0.756 -7.815 -14.137 346 HG23 VAL 51 HG23 VAL 51 -2.287 -8.534 -13.649 347 H GLY 52 HN GLY 52 -1.567 -10.465 -18.589 348 HA2 GLY 52 HA2 GLY 52 -1.215 -12.346 -19.862 349 HA3 GLY 52 HA1 GLY 52 0.463 -12.248 -19.340 350 H TYR 53 HN TYR 53 -2.613 -12.955 -17.661 351 HA TYR 53 HA TYR 53 -1.317 -15.214 -16.290 352 HB2 TYR 53 HB2 TYR 53 -2.613 -13.678 -14.901 353 HB3 TYR 53 HB1 TYR 53 -4.045 -13.952 -15.900 354 HD1 TYR 53 HD1 TYR 53 -1.552 -15.690 -13.739 355 HD2 TYR 53 HD2 TYR 53 -5.465 -15.811 -15.503 356 HE1 TYR 53 HE1 TYR 53 -2.086 -17.710 -12.411 357 HE2 TYR 53 HE2 TYR 53 -6.003 -17.831 -14.172 358 HH TYR 53 HH TYR 53 -5.331 -19.065 -12.350 359 H LEU 54 HN LEU 54 -1.661 -17.276 -16.822 360 HA LEU 54 HA LEU 54 -3.961 -17.965 -18.554 361 HB2 LEU 54 HB2 LEU 54 -1.043 -18.637 -18.888 362 HB3 LEU 54 HB1 LEU 54 -2.281 -19.684 -19.574 363 HG LEU 54 HG LEU 54 -2.460 -16.725 -20.116 364 HD11 LEU 54 HD11 LEU 54 -0.978 -16.960 -22.065 365 HD12 LEU 54 HD12 LEU 54 -0.619 -18.624 -21.604 366 HD13 LEU 54 HD13 LEU 54 -0.097 -17.290 -20.574 367 HD21 LEU 54 HD21 LEU 54 -4.253 -18.189 -20.928 368 HD22 LEU 54 HD22 LEU 54 -3.075 -19.232 -21.722 369 HD23 LEU 54 HD23 LEU 54 -3.324 -17.585 -22.298 370 HA PRO 55 HA PRO 55 -4.559 -21.167 -15.544 371 HB2 PRO 55 HB2 PRO 55 -5.881 -23.066 -16.993 372 HB3 PRO 55 HB1 PRO 55 -6.626 -21.516 -16.548 373 HG2 PRO 55 HG2 PRO 55 -5.357 -22.320 -19.137 374 HG3 PRO 55 HG1 PRO 55 -6.873 -21.442 -18.857 375 HD2 PRO 55 HD2 PRO 55 -4.557 -20.165 -19.527 376 HD3 PRO 55 HD1 PRO 55 -5.790 -19.416 -18.490 Start of MODEL 6 1 H ALA 9 HT1 ALA 9 6.718 -10.657 -13.993 2 HA ALA 9 HA ALA 9 6.884 -12.490 -12.734 3 HB1 ALA 9 HB1 ALA 9 8.909 -11.720 -11.612 4 HB2 ALA 9 HB2 ALA 9 7.816 -12.418 -10.416 5 HB3 ALA 9 HB3 ALA 9 7.962 -10.666 -10.564 6 H ALA 10 HN ALA 10 4.560 -11.099 -13.148 7 HA ALA 10 HA ALA 10 3.142 -10.760 -10.628 8 HB1 ALA 10 HB1 ALA 10 2.380 -10.456 -13.529 9 HB2 ALA 10 HB2 ALA 10 2.449 -9.224 -12.272 10 HB3 ALA 10 HB3 ALA 10 1.162 -10.428 -12.255 11 H THR 11 HN THR 11 1.190 -11.936 -10.122 12 HA THR 11 HA THR 11 0.860 -14.570 -11.387 13 HB THR 11 HB THR 11 0.709 -15.518 -8.985 14 HG1 THR 11 HG1 THR 11 1.006 -13.124 -8.311 15 HG21 THR 11 HG21 THR 11 3.249 -15.727 -8.869 16 HG22 THR 11 HG22 THR 11 3.308 -14.670 -10.279 17 HG23 THR 11 HG23 THR 11 2.507 -16.239 -10.385 18 H MET 12 HN MET 12 -1.220 -15.415 -11.166 19 HA MET 12 HA MET 12 -3.364 -13.697 -11.097 20 HB2 MET 12 HB2 MET 12 -4.765 -15.709 -10.622 21 HB3 MET 12 HB1 MET 12 -3.594 -15.970 -11.914 22 HG2 MET 12 HG2 MET 12 -2.035 -16.964 -10.205 23 HG3 MET 12 HG1 MET 12 -3.344 -16.855 -9.026 24 HE1 MET 12 HE1 MET 12 -4.872 -18.811 -8.572 25 HE2 MET 12 HE2 MET 12 -5.883 -19.382 -9.897 26 HE3 MET 12 HE3 MET 12 -5.737 -17.653 -9.592 27 H LYS 13 HN LYS 13 -1.612 -15.058 -8.429 28 HA LYS 13 HA LYS 13 -3.617 -14.449 -6.441 29 HB2 LYS 13 HB2 LYS 13 -0.703 -15.238 -6.240 30 HB3 LYS 13 HB1 LYS 13 -1.741 -14.966 -4.840 31 HG2 LYS 13 HG2 LYS 13 -3.337 -16.686 -5.837 32 HG3 LYS 13 HG1 LYS 13 -2.058 -17.075 -6.989 33 HD2 LYS 13 HD2 LYS 13 -1.760 -17.179 -3.972 34 HD3 LYS 13 HD1 LYS 13 -2.030 -18.581 -5.007 35 HE2 LYS 13 HE2 LYS 13 0.075 -17.772 -6.297 36 HE3 LYS 13 HE1 LYS 13 0.391 -16.786 -4.868 37 HZ1 LYS 13 HZ1 LYS 13 1.465 -18.695 -4.302 38 HZ2 LYS 13 HZ2 LYS 13 0.398 -19.701 -5.160 39 HZ3 LYS 13 HZ3 LYS 13 -0.066 -19.046 -3.664 40 H ASP 14 HN ASP 14 -0.488 -13.030 -7.420 41 HA ASP 14 HA ASP 14 -0.409 -10.961 -5.561 42 HB2 ASP 14 HB2 ASP 14 1.477 -11.605 -7.049 43 HB3 ASP 14 HB1 ASP 14 0.613 -10.888 -8.406 44 H VAL 15 HN VAL 15 -2.046 -11.199 -8.671 45 HA VAL 15 HA VAL 15 -2.749 -8.523 -8.996 46 HB VAL 15 HB VAL 15 -4.080 -11.091 -9.863 47 HG11 VAL 15 HG11 VAL 15 -5.317 -9.556 -11.490 48 HG12 VAL 15 HG12 VAL 15 -4.862 -8.225 -10.427 49 HG13 VAL 15 HG13 VAL 15 -5.881 -9.528 -9.820 50 HG21 VAL 15 HG21 VAL 15 -3.205 -10.330 -12.085 51 HG22 VAL 15 HG22 VAL 15 -1.927 -10.622 -10.905 52 HG23 VAL 15 HG23 VAL 15 -2.428 -8.972 -11.272 53 H ALA 16 HN ALA 16 -4.449 -11.139 -7.293 54 HA ALA 16 HA ALA 16 -6.788 -9.808 -6.614 55 HB1 ALA 16 HB1 ALA 16 -5.228 -11.803 -4.952 56 HB2 ALA 16 HB2 ALA 16 -6.462 -12.185 -6.153 57 HB3 ALA 16 HB3 ALA 16 -6.907 -11.339 -4.672 58 H LEU 17 HN LEU 17 -3.637 -9.738 -5.001 59 HA LEU 17 HA LEU 17 -4.559 -8.039 -2.865 60 HB2 LEU 17 HB2 LEU 17 -1.849 -8.987 -3.775 61 HB3 LEU 17 HB1 LEU 17 -2.000 -7.769 -2.512 62 HG LEU 17 HG LEU 17 -3.601 -10.324 -2.306 63 HD11 LEU 17 HD11 LEU 17 -0.659 -9.964 -1.683 64 HD12 LEU 17 HD12 LEU 17 -1.419 -11.232 -2.643 65 HD13 LEU 17 HD13 LEU 17 -1.643 -11.197 -0.895 66 HD21 LEU 17 HD21 LEU 17 -2.363 -8.394 -0.302 67 HD22 LEU 17 HD22 LEU 17 -3.222 -9.866 0.144 68 HD23 LEU 17 HD23 LEU 17 -4.080 -8.560 -0.673 69 H LYS 18 HN LYS 18 -2.655 -7.537 -5.827 70 HA LYS 18 HA LYS 18 -2.088 -4.822 -5.482 71 HB2 LYS 18 HB2 LYS 18 -1.058 -6.223 -7.221 72 HB3 LYS 18 HB1 LYS 18 -2.603 -6.324 -8.060 73 HG2 LYS 18 HG2 LYS 18 -1.720 -3.542 -7.455 74 HG3 LYS 18 HG1 LYS 18 -0.677 -4.402 -8.580 75 HD2 LYS 18 HD2 LYS 18 -3.689 -4.192 -8.902 76 HD3 LYS 18 HD1 LYS 18 -2.540 -3.107 -9.679 77 HE2 LYS 18 HE2 LYS 18 -2.670 -4.640 -11.387 78 HE3 LYS 18 HE1 LYS 18 -1.503 -5.536 -10.420 79 HZ1 LYS 18 HZ1 LYS 18 -4.220 -6.154 -11.015 80 HZ2 LYS 18 HZ2 LYS 18 -3.934 -6.168 -9.340 81 HZ3 LYS 18 HZ3 LYS 18 -3.006 -7.148 -10.371 82 H ALA 19 HN ALA 19 -4.919 -6.392 -6.952 83 HA ALA 19 HA ALA 19 -6.229 -3.761 -7.252 84 HB1 ALA 19 HB1 ALA 19 -7.960 -5.252 -8.485 85 HB2 ALA 19 HB2 ALA 19 -6.695 -6.480 -8.453 86 HB3 ALA 19 HB3 ALA 19 -6.410 -4.943 -9.268 87 H LYS 20 HN LYS 20 -5.833 -5.555 -4.751 88 HA LYS 20 HA LYS 20 -7.093 -6.412 -2.997 89 HB2 LYS 20 HB2 LYS 20 -8.558 -4.652 -2.027 90 HB3 LYS 20 HB1 LYS 20 -6.962 -4.051 -2.472 91 HG2 LYS 20 HG2 LYS 20 -7.822 -3.023 -4.483 92 HG3 LYS 20 HG1 LYS 20 -9.385 -3.820 -4.288 93 HD2 LYS 20 HD2 LYS 20 -9.879 -2.533 -2.312 94 HD3 LYS 20 HD1 LYS 20 -8.243 -1.876 -2.268 95 HE2 LYS 20 HE2 LYS 20 -10.215 -1.421 -4.526 96 HE3 LYS 20 HE1 LYS 20 -9.896 -0.270 -3.228 97 HZ1 LYS 20 HZ1 LYS 20 -8.506 0.392 -4.957 98 HZ2 LYS 20 HZ2 LYS 20 -8.067 -1.201 -5.355 99 HZ3 LYS 20 HZ3 LYS 20 -7.477 -0.484 -3.932 100 H VAL 21 HN VAL 21 -7.972 -7.665 -5.203 101 HA VAL 21 HA VAL 21 -10.758 -7.389 -5.709 102 HB VAL 21 HB VAL 21 -9.075 -9.868 -6.103 103 HG11 VAL 21 HG11 VAL 21 -11.492 -10.176 -6.392 104 HG12 VAL 21 HG12 VAL 21 -10.680 -10.241 -7.956 105 HG13 VAL 21 HG13 VAL 21 -11.551 -8.785 -7.474 106 HG21 VAL 21 HG21 VAL 21 -9.482 -7.498 -7.958 107 HG22 VAL 21 HG22 VAL 21 -8.568 -8.962 -8.328 108 HG23 VAL 21 HG23 VAL 21 -7.992 -7.854 -7.084 109 H SER 22 HN SER 22 -9.292 -10.321 -4.384 110 HA SER 22 HA SER 22 -10.389 -10.406 -1.867 111 HB2 SER 22 HB2 SER 22 -12.630 -10.264 -2.428 112 HB3 SER 22 HB1 SER 22 -12.385 -10.999 -4.008 113 HG SER 22 HG SER 22 -12.989 -12.143 -1.606 114 H THR 23 HN THR 23 -9.792 -12.241 -0.844 115 HA THR 23 HA THR 23 -8.084 -14.071 -2.193 116 HB THR 23 HB THR 23 -9.327 -14.386 0.546 117 HG1 THR 23 HG1 THR 23 -7.070 -12.947 -0.368 118 HG21 THR 23 HG21 THR 23 -7.289 -15.694 0.988 119 HG22 THR 23 HG22 THR 23 -6.747 -15.416 -0.665 120 HG23 THR 23 HG23 THR 23 -8.190 -16.381 -0.361 121 H ALA 24 HN ALA 24 -11.485 -14.081 -1.397 122 HA ALA 24 HA ALA 24 -11.834 -16.918 -1.814 123 HB1 ALA 24 HB1 ALA 24 -13.757 -14.613 -1.489 124 HB2 ALA 24 HB2 ALA 24 -13.377 -15.879 -0.322 125 HB3 ALA 24 HB3 ALA 24 -14.288 -16.269 -1.781 126 H THR 25 HN THR 25 -12.489 -13.957 -3.636 127 HA THR 25 HA THR 25 -13.776 -15.118 -5.846 128 HB THR 25 HB THR 25 -13.019 -13.109 -7.107 129 HG1 THR 25 HG1 THR 25 -11.616 -12.581 -4.699 130 HG21 THR 25 HG21 THR 25 -14.081 -11.448 -5.567 131 HG22 THR 25 HG22 THR 25 -14.021 -12.655 -4.284 132 HG23 THR 25 HG23 THR 25 -15.006 -12.942 -5.717 133 H VAL 26 HN VAL 26 -10.377 -14.014 -5.787 134 HA VAL 26 HA VAL 26 -9.531 -15.240 -8.100 135 HB VAL 26 HB VAL 26 -8.261 -13.634 -6.579 136 HG11 VAL 26 HG11 VAL 26 -6.932 -14.503 -4.810 137 HG12 VAL 26 HG12 VAL 26 -7.238 -16.171 -5.291 138 HG13 VAL 26 HG13 VAL 26 -8.527 -15.213 -4.565 139 HG21 VAL 26 HG21 VAL 26 -6.033 -14.682 -7.218 140 HG22 VAL 26 HG22 VAL 26 -7.181 -14.499 -8.543 141 HG23 VAL 26 HG23 VAL 26 -6.946 -16.077 -7.794 142 H SER 27 HN SER 27 -10.108 -16.689 -4.970 143 HA SER 27 HA SER 27 -8.772 -19.179 -5.629 144 HB2 SER 27 HB2 SER 27 -10.519 -18.324 -3.318 145 HB3 SER 27 HB1 SER 27 -9.843 -19.943 -3.472 146 HG SER 27 HG SER 27 -8.337 -17.534 -3.525 147 H ARG 28 HN ARG 28 -12.069 -17.929 -5.544 148 HA ARG 28 HA ARG 28 -13.247 -20.503 -6.195 149 HB2 ARG 28 HB2 ARG 28 -14.423 -17.717 -6.035 150 HB3 ARG 28 HB1 ARG 28 -15.360 -19.179 -6.338 151 HG2 ARG 28 HG2 ARG 28 -13.558 -19.104 -3.926 152 HG3 ARG 28 HG1 ARG 28 -15.085 -18.228 -3.862 153 HD2 ARG 28 HD2 ARG 28 -16.359 -20.198 -4.186 154 HD3 ARG 28 HD1 ARG 28 -14.966 -21.111 -4.750 155 HE ARG 28 HE ARG 28 -14.386 -20.315 -2.146 156 HH11 ARG 28 HH21 ARG 28 -16.744 -22.205 -3.832 157 HH12 ARG 28 HH22 ARG 28 -17.036 -23.277 -2.504 158 HH21 ARG 28 HH11 ARG 28 -14.763 -21.719 -0.401 159 HH22 ARG 28 HH12 ARG 28 -15.915 -23.002 -0.562 160 H ALA 29 HN ALA 29 -11.912 -17.825 -7.853 161 HA ALA 29 HA ALA 29 -13.307 -17.668 -10.220 162 HB1 ALA 29 HB1 ALA 29 -10.302 -17.589 -9.854 163 HB2 ALA 29 HB2 ALA 29 -11.402 -16.217 -9.727 164 HB3 ALA 29 HB3 ALA 29 -11.167 -17.018 -11.280 165 H LEU 30 HN LEU 30 -10.581 -19.871 -9.539 166 HA LEU 30 HA LEU 30 -10.856 -21.274 -11.998 167 HB2 LEU 30 HB2 LEU 30 -9.295 -22.919 -10.949 168 HB3 LEU 30 HB1 LEU 30 -8.723 -21.256 -10.864 169 HG LEU 30 HG LEU 30 -10.117 -21.403 -8.496 170 HD11 LEU 30 HD11 LEU 30 -10.508 -23.890 -8.969 171 HD12 LEU 30 HD12 LEU 30 -9.778 -23.503 -7.415 172 HD13 LEU 30 HD13 LEU 30 -8.775 -24.106 -8.731 173 HD21 LEU 30 HD21 LEU 30 -7.861 -21.879 -7.438 174 HD22 LEU 30 HD22 LEU 30 -7.867 -20.561 -8.609 175 HD23 LEU 30 HD23 LEU 30 -7.233 -22.141 -9.066 176 H MET 31 HN MET 31 -12.724 -21.306 -9.201 177 HA MET 31 HA MET 31 -13.540 -24.117 -9.465 178 HB2 MET 31 HB2 MET 31 -14.511 -22.010 -7.521 179 HB3 MET 31 HB1 MET 31 -14.798 -23.749 -7.431 180 HG2 MET 31 HG2 MET 31 -12.294 -24.071 -7.331 181 HG3 MET 31 HG1 MET 31 -12.138 -22.322 -7.182 182 HE1 MET 31 HE1 MET 31 -13.634 -25.375 -4.158 183 HE2 MET 31 HE2 MET 31 -12.293 -25.543 -5.288 184 HE3 MET 31 HE3 MET 31 -13.941 -25.430 -5.898 185 H ASN 32 HN ASN 32 -15.081 -20.890 -9.478 186 HA ASN 32 HA ASN 32 -16.888 -21.692 -11.590 187 HB2 ASN 32 HB2 ASN 32 -18.045 -22.675 -9.703 188 HB3 ASN 32 HB1 ASN 32 -17.928 -21.164 -8.802 189 HD21 ASN 32 HD21 ASN 32 -20.044 -20.354 -8.744 190 HD22 ASN 32 HD22 ASN 32 -21.044 -20.188 -10.104 191 HA PRO 33 HA PRO 33 -15.590 -17.218 -11.646 192 HB2 PRO 33 HB2 PRO 33 -16.711 -17.699 -14.395 193 HB3 PRO 33 HB1 PRO 33 -15.263 -16.788 -13.914 194 HG2 PRO 33 HG2 PRO 33 -15.038 -19.218 -14.944 195 HG3 PRO 33 HG1 PRO 33 -14.001 -18.708 -13.598 196 HD2 PRO 33 HD2 PRO 33 -16.358 -20.561 -13.563 197 HD3 PRO 33 HD1 PRO 33 -14.881 -20.599 -12.573 198 H ASP 34 HN ASP 34 -17.080 -16.171 -10.428 199 HA ASP 34 HA ASP 34 -19.399 -15.049 -11.594 200 HB2 ASP 34 HB2 ASP 34 -20.367 -17.272 -11.397 201 HB3 ASP 34 HB1 ASP 34 -19.907 -17.353 -9.698 202 H LYS 35 HN LYS 35 -17.646 -15.931 -8.671 203 HA LYS 35 HA LYS 35 -18.983 -14.190 -6.888 204 HB2 LYS 35 HB2 LYS 35 -16.125 -15.183 -6.771 205 HB3 LYS 35 HB1 LYS 35 -17.046 -14.515 -5.426 206 HG2 LYS 35 HG2 LYS 35 -18.167 -16.869 -6.940 207 HG3 LYS 35 HG1 LYS 35 -16.892 -17.143 -5.760 208 HD2 LYS 35 HD2 LYS 35 -19.270 -15.470 -4.968 209 HD3 LYS 35 HD1 LYS 35 -19.431 -17.223 -5.013 210 HE2 LYS 35 HE2 LYS 35 -17.122 -15.928 -3.565 211 HE3 LYS 35 HE1 LYS 35 -18.690 -16.124 -2.781 212 HZ1 LYS 35 HZ1 LYS 35 -17.405 -18.028 -2.274 213 HZ2 LYS 35 HZ2 LYS 35 -16.949 -18.249 -3.896 214 HZ3 LYS 35 HZ3 LYS 35 -18.557 -18.518 -3.419 215 H VAL 36 HN VAL 36 -17.669 -13.190 -9.597 216 HA VAL 36 HA VAL 36 -16.296 -10.824 -8.453 217 HB VAL 36 HB VAL 36 -15.601 -10.510 -10.919 218 HG11 VAL 36 HG11 VAL 36 -13.715 -12.041 -10.657 219 HG12 VAL 36 HG12 VAL 36 -14.601 -12.965 -9.442 220 HG13 VAL 36 HG13 VAL 36 -14.096 -11.310 -9.098 221 HG21 VAL 36 HG21 VAL 36 -17.264 -12.115 -11.834 222 HG22 VAL 36 HG22 VAL 36 -16.447 -13.425 -10.980 223 HG23 VAL 36 HG23 VAL 36 -15.614 -12.560 -12.272 224 H SER 37 HN SER 37 -17.308 -8.917 -8.518 225 HA SER 37 HA SER 37 -19.964 -8.698 -9.559 226 HB2 SER 37 HB2 SER 37 -19.248 -7.464 -7.551 227 HB3 SER 37 HB1 SER 37 -18.096 -6.551 -8.522 228 HG SER 37 HG SER 37 -20.921 -6.532 -8.595 229 H GLN 38 HN GLN 38 -20.607 -6.923 -11.039 230 HA GLN 38 HA GLN 38 -19.584 -7.200 -13.573 231 HB2 GLN 38 HB2 GLN 38 -21.720 -6.108 -13.179 232 HB3 GLN 38 HB1 GLN 38 -20.917 -4.760 -12.373 233 HG2 GLN 38 HG2 GLN 38 -19.860 -4.055 -14.400 234 HG3 GLN 38 HG1 GLN 38 -20.305 -5.546 -15.230 235 HE21 GLN 38 HE21 GLN 38 -22.121 -5.353 -16.541 236 HE22 GLN 38 HE22 GLN 38 -23.354 -4.207 -16.331 237 H ALA 39 HN ALA 39 -18.875 -4.514 -11.349 238 HA ALA 39 HA ALA 39 -16.928 -3.282 -12.961 239 HB1 ALA 39 HB1 ALA 39 -16.119 -2.218 -10.873 240 HB2 ALA 39 HB2 ALA 39 -17.086 -3.352 -9.929 241 HB3 ALA 39 HB3 ALA 39 -17.882 -2.172 -10.973 242 H THR 40 HN THR 40 -16.493 -5.546 -10.239 243 HA THR 40 HA THR 40 -13.717 -5.855 -10.506 244 HB THR 40 HB THR 40 -15.815 -7.719 -9.374 245 HG1 THR 40 HG1 THR 40 -14.120 -5.711 -8.348 246 HG21 THR 40 HG21 THR 40 -12.794 -7.825 -9.307 247 HG22 THR 40 HG22 THR 40 -13.914 -9.085 -9.827 248 HG23 THR 40 HG23 THR 40 -13.800 -8.656 -8.121 249 H ARG 41 HN ARG 41 -16.332 -7.201 -12.336 250 HA ARG 41 HA ARG 41 -14.926 -9.475 -13.345 251 HB2 ARG 41 HB2 ARG 41 -17.410 -9.276 -13.343 252 HB3 ARG 41 HB1 ARG 41 -17.286 -8.018 -14.567 253 HG2 ARG 41 HG2 ARG 41 -15.825 -10.538 -15.219 254 HG3 ARG 41 HG1 ARG 41 -17.577 -10.691 -15.149 255 HD2 ARG 41 HD2 ARG 41 -17.891 -9.024 -16.829 256 HD3 ARG 41 HD1 ARG 41 -16.211 -8.507 -16.735 257 HE ARG 41 HE ARG 41 -15.672 -10.237 -18.179 258 HH11 ARG 41 HH21 ARG 41 -18.740 -10.799 -16.680 259 HH12 ARG 41 HH22 ARG 41 -19.102 -12.201 -17.631 260 HH21 ARG 41 HH11 ARG 41 -16.142 -12.074 -19.431 261 HH22 ARG 41 HH12 ARG 41 -17.632 -12.923 -19.187 262 H ASN 42 HN ASN 42 -15.542 -6.204 -14.570 263 HA ASN 42 HA ASN 42 -14.163 -6.593 -17.027 264 HB2 ASN 42 HB2 ASN 42 -15.870 -4.814 -16.628 265 HB3 ASN 42 HB1 ASN 42 -14.704 -3.984 -15.600 266 HD21 ASN 42 HD21 ASN 42 -12.646 -3.255 -16.676 267 HD22 ASN 42 HD22 ASN 42 -12.660 -2.928 -18.341 268 H ARG 43 HN ARG 43 -13.204 -5.193 -13.897 269 HA ARG 43 HA ARG 43 -10.631 -4.349 -14.718 270 HB2 ARG 43 HB2 ARG 43 -11.778 -5.049 -12.011 271 HB3 ARG 43 HB1 ARG 43 -10.142 -4.430 -12.232 272 HG2 ARG 43 HG2 ARG 43 -10.955 -2.380 -13.184 273 HG3 ARG 43 HG1 ARG 43 -12.597 -3.014 -13.292 274 HD2 ARG 43 HD2 ARG 43 -12.467 -1.556 -11.358 275 HD3 ARG 43 HD1 ARG 43 -12.625 -3.218 -10.797 276 HE ARG 43 HE ARG 43 -10.482 -3.069 -9.904 277 HH11 ARG 43 HH21 ARG 43 -11.114 -0.474 -12.105 278 HH12 ARG 43 HH22 ARG 43 -9.668 0.395 -11.713 279 HH21 ARG 43 HH11 ARG 43 -8.583 -1.936 -9.383 280 HH22 ARG 43 HH12 ARG 43 -8.235 -0.433 -10.172 281 H VAL 44 HN VAL 44 -11.795 -7.314 -13.155 282 HA VAL 44 HA VAL 44 -9.301 -8.566 -12.854 283 HB VAL 44 HB VAL 44 -12.118 -9.620 -13.117 284 HG11 VAL 44 HG11 VAL 44 -10.824 -11.424 -13.989 285 HG12 VAL 44 HG12 VAL 44 -11.081 -11.812 -12.288 286 HG13 VAL 44 HG13 VAL 44 -9.531 -11.161 -12.820 287 HG21 VAL 44 HG21 VAL 44 -11.224 -8.371 -11.048 288 HG22 VAL 44 HG22 VAL 44 -10.197 -9.779 -10.784 289 HG23 VAL 44 HG23 VAL 44 -11.951 -9.952 -10.765 290 H GLU 45 HN GLU 45 -11.689 -8.769 -15.490 291 HA GLU 45 HA GLU 45 -10.425 -10.609 -17.125 292 HB2 GLU 45 HB2 GLU 45 -12.679 -9.535 -17.530 293 HB3 GLU 45 HB1 GLU 45 -11.817 -8.128 -18.156 294 HG2 GLU 45 HG2 GLU 45 -12.381 -9.515 -20.038 295 HG3 GLU 45 HG1 GLU 45 -10.648 -9.682 -19.773 296 H LYS 46 HN LYS 46 -9.976 -7.064 -17.161 297 HA LYS 46 HA LYS 46 -7.888 -7.145 -19.110 298 HB2 LYS 46 HB2 LYS 46 -8.835 -5.032 -17.172 299 HB3 LYS 46 HB1 LYS 46 -7.474 -4.766 -18.262 300 HG2 LYS 46 HG2 LYS 46 -8.873 -5.150 -20.211 301 HG3 LYS 46 HG1 LYS 46 -10.225 -5.649 -19.197 302 HD2 LYS 46 HD2 LYS 46 -10.766 -3.423 -19.711 303 HD3 LYS 46 HD1 LYS 46 -10.006 -3.274 -18.128 304 HE2 LYS 46 HE2 LYS 46 -9.148 -1.580 -19.723 305 HE3 LYS 46 HE1 LYS 46 -7.872 -2.670 -19.192 306 HZ1 LYS 46 HZ1 LYS 46 -8.753 -2.177 -21.800 307 HZ2 LYS 46 HZ2 LYS 46 -9.115 -3.795 -21.430 308 HZ3 LYS 46 HZ3 LYS 46 -7.520 -3.225 -21.290 309 H ALA 47 HN ALA 47 -7.948 -7.021 -15.574 310 HA ALA 47 HA ALA 47 -5.121 -6.728 -15.269 311 HB1 ALA 47 HB1 ALA 47 -5.518 -7.097 -12.926 312 HB2 ALA 47 HB2 ALA 47 -7.089 -7.828 -13.254 313 HB3 ALA 47 HB3 ALA 47 -6.841 -6.106 -13.541 314 H ALA 48 HN ALA 48 -7.229 -9.402 -15.841 315 HA ALA 48 HA ALA 48 -5.500 -11.446 -14.802 316 HB1 ALA 48 HB1 ALA 48 -7.749 -11.657 -16.818 317 HB2 ALA 48 HB2 ALA 48 -7.930 -11.789 -15.067 318 HB3 ALA 48 HB3 ALA 48 -7.001 -12.997 -15.950 319 H ARG 49 HN ARG 49 -6.044 -10.000 -17.989 320 HA ARG 49 HA ARG 49 -4.368 -11.801 -19.422 321 HB2 ARG 49 HB2 ARG 49 -6.074 -10.503 -20.572 322 HB3 ARG 49 HB1 ARG 49 -5.298 -8.997 -20.083 323 HG2 ARG 49 HG2 ARG 49 -3.360 -9.458 -21.430 324 HG3 ARG 49 HG1 ARG 49 -3.889 -11.113 -21.733 325 HD2 ARG 49 HD2 ARG 49 -4.299 -9.353 -23.591 326 HD3 ARG 49 HD1 ARG 49 -5.627 -10.428 -23.163 327 HE ARG 49 HE ARG 49 -5.624 -7.960 -21.662 328 HH11 ARG 49 HH21 ARG 49 -6.537 -9.557 -24.593 329 HH12 ARG 49 HH22 ARG 49 -7.848 -8.478 -24.936 330 HH21 ARG 49 HH11 ARG 49 -7.343 -6.541 -22.105 331 HH22 ARG 49 HH12 ARG 49 -8.304 -6.771 -23.527 332 H GLU 50 HN GLU 50 -3.820 -8.732 -17.775 333 HA GLU 50 HA GLU 50 -1.307 -8.077 -18.794 334 HB2 GLU 50 HB2 GLU 50 -2.592 -7.610 -16.104 335 HB3 GLU 50 HB1 GLU 50 -0.972 -7.013 -16.470 336 HG2 GLU 50 HG2 GLU 50 -3.318 -6.439 -18.293 337 HG3 GLU 50 HG1 GLU 50 -2.940 -5.399 -16.920 338 H VAL 51 HN VAL 51 -2.109 -10.055 -15.941 339 HA VAL 51 HA VAL 51 0.636 -10.748 -15.458 340 HB VAL 51 HB VAL 51 -0.979 -10.665 -13.625 341 HG11 VAL 51 HG11 VAL 51 -2.282 -13.022 -15.023 342 HG12 VAL 51 HG12 VAL 51 -2.959 -11.398 -14.907 343 HG13 VAL 51 HG13 VAL 51 -2.746 -12.369 -13.451 344 HG21 VAL 51 HG21 VAL 51 1.010 -12.334 -13.714 345 HG22 VAL 51 HG22 VAL 51 -0.218 -13.568 -13.974 346 HG23 VAL 51 HG23 VAL 51 -0.236 -12.604 -12.500 347 H GLY 52 HN GLY 52 -1.554 -11.745 -17.766 348 HA2 GLY 52 HA2 GLY 52 -1.281 -13.334 -19.436 349 HA3 GLY 52 HA1 GLY 52 0.142 -13.930 -18.589 350 H TYR 53 HN TYR 53 -1.299 -14.255 -16.063 351 HA TYR 53 HA TYR 53 -2.361 -16.907 -16.559 352 HB2 TYR 53 HB2 TYR 53 -1.801 -15.269 -14.086 353 HB3 TYR 53 HB1 TYR 53 -2.761 -16.744 -13.979 354 HD1 TYR 53 HD2 TYR 53 0.367 -15.622 -15.748 355 HD2 TYR 53 HD1 TYR 53 -1.560 -18.664 -13.405 356 HE1 TYR 53 HE2 TYR 53 2.438 -16.974 -15.800 357 HE2 TYR 53 HE1 TYR 53 0.516 -20.016 -13.457 358 HH TYR 53 HH TYR 53 2.561 -20.208 -14.319 359 H LEU 54 HN LEU 54 -4.403 -17.180 -17.211 360 HA LEU 54 HA LEU 54 -6.453 -15.220 -16.417 361 HB2 LEU 54 HB2 LEU 54 -6.529 -17.369 -18.545 362 HB3 LEU 54 HB1 LEU 54 -7.750 -16.129 -18.283 363 HG LEU 54 HG LEU 54 -4.883 -15.307 -18.781 364 HD11 LEU 54 HD11 LEU 54 -5.359 -15.228 -21.199 365 HD12 LEU 54 HD12 LEU 54 -6.926 -15.987 -20.916 366 HD13 LEU 54 HD13 LEU 54 -5.441 -16.881 -20.590 367 HD21 LEU 54 HD21 LEU 54 -6.407 -13.529 -18.149 368 HD22 LEU 54 HD22 LEU 54 -7.607 -14.069 -19.322 369 HD23 LEU 54 HD23 LEU 54 -6.085 -13.372 -19.871 370 HA PRO 55 HA PRO 55 -8.221 -18.286 -13.722 371 HB2 PRO 55 HB2 PRO 55 -10.809 -17.448 -13.565 372 HB3 PRO 55 HB1 PRO 55 -9.471 -16.541 -12.829 373 HG2 PRO 55 HG2 PRO 55 -10.862 -16.063 -15.437 374 HG3 PRO 55 HG1 PRO 55 -10.390 -14.895 -14.188 375 HD2 PRO 55 HD2 PRO 55 -8.909 -15.293 -16.447 376 HD3 PRO 55 HD1 PRO 55 -8.176 -14.825 -14.898 Start of MODEL 7 1 H ALA 9 HT1 ALA 9 8.184 -12.158 -12.968 2 HA ALA 9 HA ALA 9 6.156 -13.217 -14.860 3 HB1 ALA 9 HB1 ALA 9 7.607 -14.623 -12.604 4 HB2 ALA 9 HB2 ALA 9 8.155 -14.676 -14.279 5 HB3 ALA 9 HB3 ALA 9 6.584 -15.350 -13.844 6 H ALA 10 HN ALA 10 4.486 -11.880 -14.114 7 HA ALA 10 HA ALA 10 3.947 -11.602 -11.287 8 HB1 ALA 10 HB1 ALA 10 1.865 -10.460 -12.112 9 HB2 ALA 10 HB2 ALA 10 2.398 -10.800 -13.759 10 HB3 ALA 10 HB3 ALA 10 3.363 -9.754 -12.716 11 H THR 11 HN THR 11 1.564 -12.039 -10.611 12 HA THR 11 HA THR 11 0.556 -14.586 -11.703 13 HB THR 11 HB THR 11 0.233 -15.308 -9.254 14 HG1 THR 11 HG1 THR 11 0.772 -13.680 -8.014 15 HG21 THR 11 HG21 THR 11 1.809 -16.525 -10.548 16 HG22 THR 11 HG22 THR 11 2.693 -16.033 -9.103 17 HG23 THR 11 HG23 THR 11 2.923 -15.159 -10.616 18 H MET 12 HN MET 12 -1.651 -14.870 -11.468 19 HA MET 12 HA MET 12 -3.261 -12.574 -11.324 20 HB2 MET 12 HB2 MET 12 -3.822 -14.807 -12.411 21 HB3 MET 12 HB1 MET 12 -4.224 -15.387 -10.794 22 HG2 MET 12 HG2 MET 12 -5.838 -13.508 -10.550 23 HG3 MET 12 HG1 MET 12 -5.478 -13.011 -12.204 24 HE1 MET 12 HE1 MET 12 -7.978 -13.013 -11.929 25 HE2 MET 12 HE2 MET 12 -8.583 -14.261 -10.842 26 HE3 MET 12 HE3 MET 12 -8.984 -14.327 -12.557 27 H LYS 13 HN LYS 13 -2.070 -14.699 -8.853 28 HA LYS 13 HA LYS 13 -3.995 -14.039 -6.849 29 HB2 LYS 13 HB2 LYS 13 -2.469 -16.073 -6.880 30 HB3 LYS 13 HB1 LYS 13 -1.168 -14.991 -6.380 31 HG2 LYS 13 HG2 LYS 13 -2.708 -14.252 -4.475 32 HG3 LYS 13 HG1 LYS 13 -3.724 -15.628 -4.893 33 HD2 LYS 13 HD2 LYS 13 -0.767 -15.914 -4.295 34 HD3 LYS 13 HD1 LYS 13 -2.002 -16.029 -3.045 35 HE2 LYS 13 HE2 LYS 13 -1.749 -17.795 -5.498 36 HE3 LYS 13 HE1 LYS 13 -1.478 -18.269 -3.823 37 HZ1 LYS 13 HZ1 LYS 13 -3.844 -17.579 -3.415 38 HZ2 LYS 13 HZ2 LYS 13 -3.638 -18.972 -4.365 39 HZ3 LYS 13 HZ3 LYS 13 -4.035 -17.492 -5.098 40 H ASP 14 HN ASP 14 -0.689 -12.910 -7.578 41 HA ASP 14 HA ASP 14 -0.498 -11.089 -5.450 42 HB2 ASP 14 HB2 ASP 14 1.417 -11.863 -6.856 43 HB3 ASP 14 HB1 ASP 14 0.804 -10.861 -8.170 44 H VAL 15 HN VAL 15 -1.939 -10.855 -8.638 45 HA VAL 15 HA VAL 15 -2.237 -8.065 -8.781 46 HB VAL 15 HB VAL 15 -3.812 -10.356 -9.966 47 HG11 VAL 15 HG11 VAL 15 -4.682 -8.557 -11.546 48 HG12 VAL 15 HG12 VAL 15 -4.128 -7.372 -10.364 49 HG13 VAL 15 HG13 VAL 15 -5.372 -8.542 -9.924 50 HG21 VAL 15 HG21 VAL 15 -1.873 -8.364 -11.177 51 HG22 VAL 15 HG22 VAL 15 -2.615 -9.735 -11.998 52 HG23 VAL 15 HG23 VAL 15 -1.451 -10.009 -10.701 53 H ALA 16 HN ALA 16 -4.403 -10.581 -7.497 54 HA ALA 16 HA ALA 16 -6.603 -9.019 -6.854 55 HB1 ALA 16 HB1 ALA 16 -5.458 -11.362 -5.316 56 HB2 ALA 16 HB2 ALA 16 -6.637 -11.446 -6.627 57 HB3 ALA 16 HB3 ALA 16 -7.077 -10.699 -5.090 58 H LEU 17 HN LEU 17 -3.580 -9.452 -5.103 59 HA LEU 17 HA LEU 17 -4.330 -8.130 -2.718 60 HB2 LEU 17 HB2 LEU 17 -2.155 -9.535 -3.389 61 HB3 LEU 17 HB1 LEU 17 -1.500 -7.933 -3.713 62 HG LEU 17 HG LEU 17 -2.661 -8.940 -1.093 63 HD11 LEU 17 HD11 LEU 17 0.110 -7.910 -1.785 64 HD12 LEU 17 HD12 LEU 17 -0.317 -9.618 -1.686 65 HD13 LEU 17 HD13 LEU 17 -0.406 -8.602 -0.248 66 HD21 LEU 17 HD21 LEU 17 -1.879 -6.166 -2.023 67 HD22 LEU 17 HD22 LEU 17 -1.811 -6.600 -0.316 68 HD23 LEU 17 HD23 LEU 17 -3.346 -6.665 -1.178 69 H LYS 18 HN LYS 18 -2.764 -6.938 -5.681 70 HA LYS 18 HA LYS 18 -2.502 -4.247 -4.820 71 HB2 LYS 18 HB2 LYS 18 -1.196 -5.161 -6.682 72 HB3 LYS 18 HB1 LYS 18 -2.673 -5.372 -7.624 73 HG2 LYS 18 HG2 LYS 18 -3.065 -2.992 -7.688 74 HG3 LYS 18 HG1 LYS 18 -1.768 -2.694 -6.529 75 HD2 LYS 18 HD2 LYS 18 -0.107 -3.508 -8.133 76 HD3 LYS 18 HD1 LYS 18 -1.384 -3.895 -9.287 77 HE2 LYS 18 HE2 LYS 18 -0.448 -1.756 -9.918 78 HE3 LYS 18 HE1 LYS 18 -2.051 -1.463 -9.243 79 HZ1 LYS 18 HZ1 LYS 18 -0.936 -1.045 -7.080 80 HZ2 LYS 18 HZ2 LYS 18 -0.556 0.092 -8.284 81 HZ3 LYS 18 HZ3 LYS 18 0.561 -1.124 -7.877 82 H ALA 19 HN ALA 19 -5.087 -6.022 -6.416 83 HA ALA 19 HA ALA 19 -6.678 -3.575 -6.767 84 HB1 ALA 19 HB1 ALA 19 -8.323 -5.425 -7.711 85 HB2 ALA 19 HB2 ALA 19 -6.853 -6.397 -7.763 86 HB3 ALA 19 HB3 ALA 19 -6.942 -4.888 -8.666 87 H LYS 20 HN LYS 20 -6.005 -5.440 -4.237 88 HA LYS 20 HA LYS 20 -7.123 -6.188 -2.347 89 HB2 LYS 20 HB2 LYS 20 -7.082 -3.610 -2.297 90 HB3 LYS 20 HB1 LYS 20 -8.789 -3.700 -2.730 91 HG2 LYS 20 HG2 LYS 20 -9.032 -5.320 -0.727 92 HG3 LYS 20 HG1 LYS 20 -7.440 -4.750 -0.227 93 HD2 LYS 20 HD2 LYS 20 -9.833 -2.960 -0.754 94 HD3 LYS 20 HD1 LYS 20 -9.278 -3.459 0.844 95 HE2 LYS 20 HE2 LYS 20 -6.998 -2.471 0.181 96 HE3 LYS 20 HE1 LYS 20 -7.851 -1.706 -1.161 97 HZ1 LYS 20 HZ1 LYS 20 -7.610 -0.492 1.111 98 HZ2 LYS 20 HZ2 LYS 20 -8.940 -1.451 1.553 99 HZ3 LYS 20 HZ3 LYS 20 -9.059 -0.384 0.237 100 H VAL 21 HN VAL 21 -8.125 -7.481 -4.539 101 HA VAL 21 HA VAL 21 -10.952 -7.267 -4.813 102 HB VAL 21 HB VAL 21 -9.233 -9.679 -5.414 103 HG11 VAL 21 HG11 VAL 21 -11.869 -8.677 -6.526 104 HG12 VAL 21 HG12 VAL 21 -11.663 -10.065 -5.459 105 HG13 VAL 21 HG13 VAL 21 -11.000 -10.104 -7.093 106 HG21 VAL 21 HG21 VAL 21 -8.378 -7.549 -6.440 107 HG22 VAL 21 HG22 VAL 21 -9.945 -7.347 -7.220 108 HG23 VAL 21 HG23 VAL 21 -8.926 -8.729 -7.629 109 H SER 22 HN SER 22 -9.317 -10.190 -3.696 110 HA SER 22 HA SER 22 -10.146 -10.406 -1.105 111 HB2 SER 22 HB2 SER 22 -12.403 -10.833 -2.997 112 HB3 SER 22 HB1 SER 22 -12.283 -11.958 -1.646 113 HG SER 22 HG SER 22 -12.686 -10.375 -0.284 114 H THR 23 HN THR 23 -9.385 -12.270 -0.259 115 HA THR 23 HA THR 23 -7.868 -14.025 -1.878 116 HB THR 23 HB THR 23 -7.827 -15.419 0.302 117 HG1 THR 23 HG1 THR 23 -8.865 -14.622 1.977 118 HG21 THR 23 HG21 THR 23 -6.889 -12.559 0.058 119 HG22 THR 23 HG22 THR 23 -5.954 -14.042 -0.137 120 HG23 THR 23 HG23 THR 23 -6.491 -13.542 1.466 121 H ALA 24 HN ALA 24 -11.188 -14.126 -0.762 122 HA ALA 24 HA ALA 24 -11.549 -16.933 -1.354 123 HB1 ALA 24 HB1 ALA 24 -12.880 -15.740 0.382 124 HB2 ALA 24 HB2 ALA 24 -13.886 -16.527 -0.834 125 HB3 ALA 24 HB3 ALA 24 -13.630 -14.783 -0.895 126 H THR 25 HN THR 25 -12.300 -13.852 -2.883 127 HA THR 25 HA THR 25 -13.849 -14.780 -5.026 128 HB THR 25 HB THR 25 -12.957 -12.727 -6.239 129 HG1 THR 25 HG1 THR 25 -10.956 -12.602 -5.244 130 HG21 THR 25 HG21 THR 25 -14.994 -12.626 -4.903 131 HG22 THR 25 HG22 THR 25 -14.050 -11.162 -4.632 132 HG23 THR 25 HG23 THR 25 -14.050 -12.448 -3.425 133 H VAL 26 HN VAL 26 -10.390 -13.890 -5.220 134 HA VAL 26 HA VAL 26 -9.850 -14.956 -7.695 135 HB VAL 26 HB VAL 26 -8.326 -13.594 -6.170 136 HG11 VAL 26 HG11 VAL 26 -8.540 -15.330 -4.284 137 HG12 VAL 26 HG12 VAL 26 -6.921 -14.717 -4.615 138 HG13 VAL 26 HG13 VAL 26 -7.400 -16.306 -5.209 139 HG21 VAL 26 HG21 VAL 26 -6.261 -14.689 -7.125 140 HG22 VAL 26 HG22 VAL 26 -7.529 -14.386 -8.313 141 HG23 VAL 26 HG23 VAL 26 -7.288 -16.013 -7.675 142 H SER 27 HN SER 27 -10.342 -16.645 -4.686 143 HA SER 27 HA SER 27 -9.218 -19.143 -5.615 144 HB2 SER 27 HB2 SER 27 -10.834 -18.373 -3.185 145 HB3 SER 27 HB1 SER 27 -10.347 -20.032 -3.515 146 HG SER 27 HG SER 27 -8.939 -18.219 -2.318 147 H ARG 28 HN ARG 28 -12.373 -17.619 -5.488 148 HA ARG 28 HA ARG 28 -13.800 -20.035 -6.242 149 HB2 ARG 28 HB2 ARG 28 -14.624 -17.147 -5.923 150 HB3 ARG 28 HB1 ARG 28 -15.731 -18.406 -6.475 151 HG2 ARG 28 HG2 ARG 28 -15.392 -19.672 -4.428 152 HG3 ARG 28 HG1 ARG 28 -14.160 -18.534 -3.887 153 HD2 ARG 28 HD2 ARG 28 -16.105 -17.858 -2.730 154 HD3 ARG 28 HD1 ARG 28 -16.006 -16.733 -4.082 155 HE ARG 28 HE ARG 28 -17.557 -18.821 -5.001 156 HH11 ARG 28 HH21 ARG 28 -17.604 -16.616 -2.335 157 HH12 ARG 28 HH22 ARG 28 -19.331 -16.588 -2.209 158 HH21 ARG 28 HH11 ARG 28 -19.823 -18.791 -4.842 159 HH22 ARG 28 HH12 ARG 28 -20.587 -17.820 -3.627 160 H ALA 29 HN ALA 29 -12.127 -17.481 -7.788 161 HA ALA 29 HA ALA 29 -13.516 -17.463 -10.276 162 HB1 ALA 29 HB1 ALA 29 -11.582 -16.248 -11.121 163 HB2 ALA 29 HB2 ALA 29 -10.637 -16.715 -9.708 164 HB3 ALA 29 HB3 ALA 29 -12.016 -15.630 -9.528 165 H LEU 30 HN LEU 30 -11.298 -19.636 -8.819 166 HA LEU 30 HA LEU 30 -10.382 -20.794 -11.339 167 HB2 LEU 30 HB2 LEU 30 -9.965 -21.966 -8.592 168 HB3 LEU 30 HB1 LEU 30 -8.962 -22.150 -10.031 169 HG LEU 30 HG LEU 30 -9.337 -19.617 -8.406 170 HD11 LEU 30 HD11 LEU 30 -7.785 -21.390 -7.492 171 HD12 LEU 30 HD12 LEU 30 -6.996 -19.859 -7.861 172 HD13 LEU 30 HD13 LEU 30 -6.827 -21.224 -8.964 173 HD21 LEU 30 HD21 LEU 30 -7.968 -20.153 -11.047 174 HD22 LEU 30 HD22 LEU 30 -7.523 -18.782 -10.029 175 HD23 LEU 30 HD23 LEU 30 -9.161 -18.909 -10.671 176 H MET 31 HN MET 31 -12.998 -21.099 -9.184 177 HA MET 31 HA MET 31 -13.618 -23.859 -10.033 178 HB2 MET 31 HB2 MET 31 -14.983 -22.117 -7.966 179 HB3 MET 31 HB1 MET 31 -15.287 -23.829 -8.264 180 HG2 MET 31 HG2 MET 31 -12.613 -22.685 -7.407 181 HG3 MET 31 HG1 MET 31 -13.769 -23.449 -6.317 182 HE1 MET 31 HE1 MET 31 -10.846 -24.230 -6.572 183 HE2 MET 31 HE2 MET 31 -10.820 -25.986 -6.705 184 HE3 MET 31 HE3 MET 31 -11.899 -25.212 -5.545 185 H ASN 32 HN ASN 32 -14.727 -20.533 -10.249 186 HA ASN 32 HA ASN 32 -16.385 -21.196 -12.516 187 HB2 ASN 32 HB2 ASN 32 -17.597 -20.327 -9.896 188 HB3 ASN 32 HB1 ASN 32 -18.426 -20.106 -11.436 189 HD21 ASN 32 HD21 ASN 32 -18.511 -22.254 -12.815 190 HD22 ASN 32 HD22 ASN 32 -18.839 -23.674 -11.944 191 HA PRO 33 HA PRO 33 -15.176 -16.969 -13.307 192 HB2 PRO 33 HB2 PRO 33 -16.687 -16.373 -15.462 193 HB3 PRO 33 HB1 PRO 33 -15.409 -17.607 -15.542 194 HG2 PRO 33 HG2 PRO 33 -18.361 -17.974 -15.193 195 HG3 PRO 33 HG1 PRO 33 -17.244 -18.836 -16.270 196 HD2 PRO 33 HD2 PRO 33 -18.047 -19.851 -13.846 197 HD3 PRO 33 HD1 PRO 33 -16.469 -20.223 -14.582 198 H ASP 34 HN ASP 34 -18.696 -17.539 -13.382 199 HA ASP 34 HA ASP 34 -19.427 -14.841 -12.838 200 HB2 ASP 34 HB2 ASP 34 -21.672 -15.856 -12.331 201 HB3 ASP 34 HB1 ASP 34 -21.018 -16.276 -13.912 202 H LYS 35 HN LYS 35 -17.560 -15.121 -10.978 203 HA LYS 35 HA LYS 35 -19.061 -15.361 -8.432 204 HB2 LYS 35 HB2 LYS 35 -16.205 -16.198 -8.995 205 HB3 LYS 35 HB1 LYS 35 -16.923 -16.123 -7.390 206 HG2 LYS 35 HG2 LYS 35 -18.263 -17.725 -9.572 207 HG3 LYS 35 HG1 LYS 35 -16.912 -18.412 -8.676 208 HD2 LYS 35 HD2 LYS 35 -18.156 -17.893 -6.541 209 HD3 LYS 35 HD1 LYS 35 -19.542 -17.432 -7.528 210 HE2 LYS 35 HE2 LYS 35 -18.185 -20.139 -7.634 211 HE3 LYS 35 HE1 LYS 35 -19.668 -19.795 -6.742 212 HZ1 LYS 35 HZ1 LYS 35 -20.618 -19.002 -8.891 213 HZ2 LYS 35 HZ2 LYS 35 -20.287 -20.669 -8.837 214 HZ3 LYS 35 HZ3 LYS 35 -19.245 -19.618 -9.671 215 H VAL 36 HN VAL 36 -17.410 -13.387 -10.532 216 HA VAL 36 HA VAL 36 -16.445 -11.565 -8.409 217 HB VAL 36 HB VAL 36 -15.369 -10.392 -10.409 218 HG11 VAL 36 HG11 VAL 36 -13.541 -12.090 -10.534 219 HG12 VAL 36 HG12 VAL 36 -14.595 -13.242 -9.716 220 HG13 VAL 36 HG13 VAL 36 -14.068 -11.782 -8.879 221 HG21 VAL 36 HG21 VAL 36 -16.094 -13.028 -11.727 222 HG22 VAL 36 HG22 VAL 36 -15.104 -11.752 -12.434 223 HG23 VAL 36 HG23 VAL 36 -16.817 -11.469 -12.122 224 H SER 37 HN SER 37 -17.220 -9.499 -8.240 225 HA SER 37 HA SER 37 -19.863 -8.984 -9.126 226 HB2 SER 37 HB2 SER 37 -17.752 -7.229 -7.868 227 HB3 SER 37 HB1 SER 37 -19.365 -6.644 -8.264 228 HG SER 37 HG SER 37 -18.631 -7.925 -6.111 229 H GLN 38 HN GLN 38 -20.537 -7.165 -10.458 230 HA GLN 38 HA GLN 38 -19.578 -7.230 -13.029 231 HB2 GLN 38 HB2 GLN 38 -20.599 -4.779 -13.135 232 HB3 GLN 38 HB1 GLN 38 -21.648 -6.176 -12.908 233 HG2 GLN 38 HG2 GLN 38 -20.494 -4.761 -10.507 234 HG3 GLN 38 HG1 GLN 38 -21.913 -4.111 -11.318 235 HE21 GLN 38 HE21 GLN 38 -21.327 -5.757 -8.644 236 HE22 GLN 38 HE22 GLN 38 -22.599 -6.881 -8.648 237 H ALA 39 HN ALA 39 -18.693 -4.865 -10.517 238 HA ALA 39 HA ALA 39 -16.857 -3.427 -12.132 239 HB1 ALA 39 HB1 ALA 39 -15.953 -2.561 -10.005 240 HB2 ALA 39 HB2 ALA 39 -16.839 -3.802 -9.120 241 HB3 ALA 39 HB3 ALA 39 -17.718 -2.541 -9.985 242 H THR 40 HN THR 40 -16.311 -5.952 -9.678 243 HA THR 40 HA THR 40 -13.554 -6.255 -10.108 244 HB THR 40 HB THR 40 -15.560 -8.307 -9.137 245 HG1 THR 40 HG1 THR 40 -15.615 -7.122 -7.430 246 HG21 THR 40 HG21 THR 40 -13.598 -9.276 -7.976 247 HG22 THR 40 HG22 THR 40 -12.556 -8.097 -8.774 248 HG23 THR 40 HG23 THR 40 -13.402 -9.316 -9.726 249 H ARG 41 HN ARG 41 -16.275 -7.359 -11.918 250 HA ARG 41 HA ARG 41 -14.996 -9.548 -13.239 251 HB2 ARG 41 HB2 ARG 41 -17.484 -9.245 -13.060 252 HB3 ARG 41 HB1 ARG 41 -17.350 -7.922 -14.221 253 HG2 ARG 41 HG2 ARG 41 -16.366 -9.446 -15.876 254 HG3 ARG 41 HG1 ARG 41 -16.443 -10.773 -14.717 255 HD2 ARG 41 HD2 ARG 41 -18.944 -10.376 -14.589 256 HD3 ARG 41 HD1 ARG 41 -18.764 -9.274 -15.950 257 HE ARG 41 HE ARG 41 -17.569 -11.558 -16.835 258 HH11 ARG 41 HH21 ARG 41 -20.616 -10.805 -15.378 259 HH12 ARG 41 HH22 ARG 41 -21.471 -12.079 -16.180 260 HH21 ARG 41 HH11 ARG 41 -18.684 -13.232 -17.891 261 HH22 ARG 41 HH12 ARG 41 -20.377 -13.453 -17.603 262 H ASN 42 HN ASN 42 -15.580 -6.150 -14.071 263 HA ASN 42 HA ASN 42 -14.360 -6.327 -16.642 264 HB2 ASN 42 HB2 ASN 42 -15.020 -3.955 -14.890 265 HB3 ASN 42 HB1 ASN 42 -14.426 -3.828 -16.545 266 HD21 ASN 42 HD21 ASN 42 -16.171 -6.590 -16.682 267 HD22 ASN 42 HD22 ASN 42 -17.697 -5.966 -17.083 268 H ARG 43 HN ARG 43 -13.219 -5.198 -13.458 269 HA ARG 43 HA ARG 43 -10.708 -4.262 -14.353 270 HB2 ARG 43 HB2 ARG 43 -11.619 -5.254 -11.643 271 HB3 ARG 43 HB1 ARG 43 -10.063 -4.476 -11.943 272 HG2 ARG 43 HG2 ARG 43 -11.284 -2.495 -12.862 273 HG3 ARG 43 HG1 ARG 43 -12.802 -3.264 -12.402 274 HD2 ARG 43 HD2 ARG 43 -11.961 -1.621 -10.703 275 HD3 ARG 43 HD1 ARG 43 -12.172 -3.249 -10.065 276 HE ARG 43 HE ARG 43 -9.867 -3.380 -9.769 277 HH11 ARG 43 HH21 ARG 43 -10.731 -0.717 -11.805 278 HH12 ARG 43 HH22 ARG 43 -9.135 -0.041 -11.831 279 HH21 ARG 43 HH11 ARG 43 -7.774 -2.499 -9.800 280 HH22 ARG 43 HH12 ARG 43 -7.461 -1.052 -10.696 281 H VAL 44 HN VAL 44 -11.747 -7.378 -13.007 282 HA VAL 44 HA VAL 44 -9.212 -8.595 -12.968 283 HB VAL 44 HB VAL 44 -12.024 -9.682 -13.132 284 HG11 VAL 44 HG11 VAL 44 -10.773 -11.374 -14.255 285 HG12 VAL 44 HG12 VAL 44 -10.899 -11.919 -12.582 286 HG13 VAL 44 HG13 VAL 44 -9.402 -11.189 -13.161 287 HG21 VAL 44 HG21 VAL 44 -11.608 -10.314 -10.837 288 HG22 VAL 44 HG22 VAL 44 -11.116 -8.629 -11.017 289 HG23 VAL 44 HG23 VAL 44 -9.899 -9.906 -10.981 290 H GLU 45 HN GLU 45 -11.744 -8.537 -15.465 291 HA GLU 45 HA GLU 45 -10.616 -10.234 -17.332 292 HB2 GLU 45 HB2 GLU 45 -12.856 -9.076 -17.515 293 HB3 GLU 45 HB1 GLU 45 -11.989 -7.631 -18.042 294 HG2 GLU 45 HG2 GLU 45 -12.684 -8.812 -20.022 295 HG3 GLU 45 HG1 GLU 45 -10.944 -9.034 -19.867 296 H LYS 46 HN LYS 46 -10.073 -6.700 -17.075 297 HA LYS 46 HA LYS 46 -8.058 -6.685 -19.109 298 HB2 LYS 46 HB2 LYS 46 -8.905 -4.686 -17.010 299 HB3 LYS 46 HB1 LYS 46 -7.586 -4.372 -18.138 300 HG2 LYS 46 HG2 LYS 46 -9.030 -4.490 -20.032 301 HG3 LYS 46 HG1 LYS 46 -10.325 -5.235 -19.092 302 HD2 LYS 46 HD2 LYS 46 -10.538 -3.148 -17.764 303 HD3 LYS 46 HD1 LYS 46 -9.289 -2.404 -18.763 304 HE2 LYS 46 HE2 LYS 46 -10.657 -2.571 -20.736 305 HE3 LYS 46 HE1 LYS 46 -11.844 -3.567 -19.895 306 HZ1 LYS 46 HZ1 LYS 46 -12.812 -1.782 -19.021 307 HZ2 LYS 46 HZ2 LYS 46 -11.931 -0.864 -20.143 308 HZ3 LYS 46 HZ3 LYS 46 -11.336 -1.080 -18.567 309 H ALA 47 HN ALA 47 -8.024 -6.853 -15.582 310 HA ALA 47 HA ALA 47 -5.188 -6.576 -15.327 311 HB1 ALA 47 HB1 ALA 47 -6.982 -7.897 -13.299 312 HB2 ALA 47 HB2 ALA 47 -6.991 -6.151 -13.542 313 HB3 ALA 47 HB3 ALA 47 -5.514 -6.959 -13.029 314 H ALA 48 HN ALA 48 -7.308 -9.187 -16.081 315 HA ALA 48 HA ALA 48 -5.587 -11.322 -15.231 316 HB1 ALA 48 HB1 ALA 48 -7.912 -11.822 -15.455 317 HB2 ALA 48 HB2 ALA 48 -7.086 -12.697 -16.743 318 HB3 ALA 48 HB3 ALA 48 -7.952 -11.205 -17.108 319 H ARG 49 HN ARG 49 -6.210 -9.678 -18.313 320 HA ARG 49 HA ARG 49 -4.530 -11.304 -19.907 321 HB2 ARG 49 HB2 ARG 49 -5.578 -8.488 -20.205 322 HB3 ARG 49 HB1 ARG 49 -4.530 -9.219 -21.420 323 HG2 ARG 49 HG2 ARG 49 -6.919 -10.807 -20.507 324 HG3 ARG 49 HG1 ARG 49 -7.212 -9.430 -21.569 325 HD2 ARG 49 HD2 ARG 49 -6.699 -11.844 -22.575 326 HD3 ARG 49 HD1 ARG 49 -6.095 -10.387 -23.360 327 HE ARG 49 HE ARG 49 -4.088 -11.028 -21.643 328 HH11 ARG 49 HH21 ARG 49 -5.916 -12.782 -23.999 329 HH12 ARG 49 HH22 ARG 49 -4.623 -13.863 -24.400 330 HH21 ARG 49 HH11 ARG 49 -2.386 -12.441 -22.162 331 HH22 ARG 49 HH12 ARG 49 -2.625 -13.670 -23.361 332 H GLU 50 HN GLU 50 -3.954 -8.458 -17.924 333 HA GLU 50 HA GLU 50 -1.435 -7.692 -18.825 334 HB2 GLU 50 HB2 GLU 50 -2.716 -7.630 -16.092 335 HB3 GLU 50 HB1 GLU 50 -1.085 -7.009 -16.356 336 HG2 GLU 50 HG2 GLU 50 -1.864 -5.376 -17.931 337 HG3 GLU 50 HG1 GLU 50 -3.459 -6.120 -18.014 338 H VAL 51 HN VAL 51 -2.249 -10.074 -16.291 339 HA VAL 51 HA VAL 51 0.539 -10.972 -16.199 340 HB VAL 51 HB VAL 51 -1.877 -11.866 -14.607 341 HG11 VAL 51 HG11 VAL 51 -0.339 -13.643 -14.466 342 HG12 VAL 51 HG12 VAL 51 0.076 -12.658 -13.067 343 HG13 VAL 51 HG13 VAL 51 1.057 -12.570 -14.531 344 HG21 VAL 51 HG21 VAL 51 -1.441 -9.610 -14.019 345 HG22 VAL 51 HG22 VAL 51 0.304 -9.821 -14.149 346 HG23 VAL 51 HG23 VAL 51 -0.574 -10.550 -12.805 347 H GLY 52 HN GLY 52 -2.095 -11.631 -18.095 348 HA2 GLY 52 HA2 GLY 52 -2.779 -13.429 -19.366 349 HA3 GLY 52 HA1 GLY 52 -1.047 -13.675 -19.552 350 H TYR 53 HN TYR 53 -2.980 -14.001 -16.590 351 HA TYR 53 HA TYR 53 -2.624 -16.931 -16.660 352 HB2 TYR 53 HB2 TYR 53 -0.741 -15.813 -15.362 353 HB3 TYR 53 HB1 TYR 53 -1.969 -15.299 -14.204 354 HD1 TYR 53 HD1 TYR 53 -0.843 -18.385 -16.024 355 HD2 TYR 53 HD2 TYR 53 -2.466 -16.722 -12.410 356 HE1 TYR 53 HE1 TYR 53 -0.764 -20.622 -14.958 357 HE2 TYR 53 HE2 TYR 53 -2.386 -18.959 -11.345 358 HH TYR 53 HH TYR 53 -1.907 -21.103 -11.612 359 H LEU 54 HN LEU 54 -4.605 -17.745 -16.460 360 HA LEU 54 HA LEU 54 -6.569 -16.355 -14.731 361 HB2 LEU 54 HB2 LEU 54 -6.838 -17.975 -17.244 362 HB3 LEU 54 HB1 LEU 54 -8.175 -17.974 -16.102 363 HG LEU 54 HG LEU 54 -6.963 -15.326 -16.869 364 HD11 LEU 54 HD11 LEU 54 -7.235 -16.309 -19.049 365 HD12 LEU 54 HD12 LEU 54 -8.612 -15.239 -18.790 366 HD13 LEU 54 HD13 LEU 54 -8.806 -16.982 -18.614 367 HD21 LEU 54 HD21 LEU 54 -9.875 -16.093 -16.537 368 HD22 LEU 54 HD22 LEU 54 -9.140 -14.497 -16.381 369 HD23 LEU 54 HD23 LEU 54 -8.854 -15.723 -15.149 370 HA PRO 55 HA PRO 55 -6.661 -21.211 -13.762 371 HB2 PRO 55 HB2 PRO 55 -3.671 -21.447 -13.665 372 HB3 PRO 55 HB1 PRO 55 -4.883 -22.658 -14.137 373 HG2 PRO 55 HG2 PRO 55 -3.438 -21.424 -15.984 374 HG3 PRO 55 HG1 PRO 55 -5.164 -21.738 -16.252 375 HD2 PRO 55 HD2 PRO 55 -3.812 -19.161 -15.519 376 HD3 PRO 55 HD1 PRO 55 -5.186 -19.439 -16.610 Start of MODEL 8 1 H ALA 9 HT1 ALA 9 8.386 -12.740 -12.647 2 HA ALA 9 HA ALA 9 6.590 -13.388 -13.802 3 HB1 ALA 9 HB1 ALA 9 6.946 -16.029 -12.365 4 HB2 ALA 9 HB2 ALA 9 7.265 -15.679 -14.064 5 HB3 ALA 9 HB3 ALA 9 5.606 -15.706 -13.466 6 H ALA 10 HN ALA 10 4.597 -12.637 -13.330 7 HA ALA 10 HA ALA 10 3.881 -12.265 -10.524 8 HB1 ALA 10 HB1 ALA 10 3.586 -10.346 -11.940 9 HB2 ALA 10 HB2 ALA 10 1.981 -10.943 -11.518 10 HB3 ALA 10 HB3 ALA 10 2.657 -11.285 -13.110 11 H THR 11 HN THR 11 1.437 -12.510 -10.057 12 HA THR 11 HA THR 11 0.291 -14.917 -11.312 13 HB THR 11 HB THR 11 -0.290 -15.676 -8.923 14 HG1 THR 11 HG1 THR 11 1.950 -14.611 -7.901 15 HG21 THR 11 HG21 THR 11 2.517 -15.727 -10.041 16 HG22 THR 11 HG22 THR 11 1.281 -16.980 -10.154 17 HG23 THR 11 HG23 THR 11 2.058 -16.644 -8.608 18 H MET 12 HN MET 12 -1.945 -15.018 -11.224 19 HA MET 12 HA MET 12 -3.373 -12.613 -11.193 20 HB2 MET 12 HB2 MET 12 -4.627 -15.296 -10.615 21 HB3 MET 12 HB1 MET 12 -5.326 -13.921 -11.470 22 HG2 MET 12 HG2 MET 12 -3.427 -14.237 -13.178 23 HG3 MET 12 HG1 MET 12 -3.167 -15.807 -12.417 24 HE1 MET 12 HE1 MET 12 -4.904 -17.304 -11.802 25 HE2 MET 12 HE2 MET 12 -6.208 -17.815 -12.873 26 HE3 MET 12 HE3 MET 12 -6.501 -16.550 -11.683 27 H LYS 13 HN LYS 13 -2.476 -14.742 -8.610 28 HA LYS 13 HA LYS 13 -4.449 -13.893 -6.728 29 HB2 LYS 13 HB2 LYS 13 -1.803 -15.320 -6.468 30 HB3 LYS 13 HB1 LYS 13 -2.785 -14.902 -5.064 31 HG2 LYS 13 HG2 LYS 13 -4.617 -16.242 -5.834 32 HG3 LYS 13 HG1 LYS 13 -3.877 -16.457 -7.421 33 HD2 LYS 13 HD2 LYS 13 -2.097 -17.798 -6.483 34 HD3 LYS 13 HD1 LYS 13 -2.634 -17.446 -4.841 35 HE2 LYS 13 HE2 LYS 13 -4.425 -18.810 -6.858 36 HE3 LYS 13 HE1 LYS 13 -3.340 -19.715 -5.801 37 HZ1 LYS 13 HZ1 LYS 13 -4.401 -18.684 -3.891 38 HZ2 LYS 13 HZ2 LYS 13 -5.543 -19.515 -4.836 39 HZ3 LYS 13 HZ3 LYS 13 -5.445 -17.820 -4.908 40 H ASP 14 HN ASP 14 -1.089 -12.907 -7.410 41 HA ASP 14 HA ASP 14 -0.876 -11.129 -5.231 42 HB2 ASP 14 HB2 ASP 14 1.057 -12.025 -6.528 43 HB3 ASP 14 HB1 ASP 14 0.578 -10.996 -7.878 44 H VAL 15 HN VAL 15 -2.015 -10.724 -8.549 45 HA VAL 15 HA VAL 15 -2.192 -7.899 -8.449 46 HB VAL 15 HB VAL 15 -3.600 -9.949 -10.169 47 HG11 VAL 15 HG11 VAL 15 -5.009 -8.046 -10.259 48 HG12 VAL 15 HG12 VAL 15 -3.956 -7.880 -11.664 49 HG13 VAL 15 HG13 VAL 15 -3.646 -6.929 -10.215 50 HG21 VAL 15 HG21 VAL 15 -1.978 -8.940 -11.874 51 HG22 VAL 15 HG22 VAL 15 -1.252 -9.939 -10.618 52 HG23 VAL 15 HG23 VAL 15 -1.163 -8.181 -10.508 53 H ALA 16 HN ALA 16 -4.343 -10.494 -7.468 54 HA ALA 16 HA ALA 16 -6.752 -9.123 -7.243 55 HB1 ALA 16 HB1 ALA 16 -5.622 -11.207 -5.353 56 HB2 ALA 16 HB2 ALA 16 -6.556 -11.533 -6.814 57 HB3 ALA 16 HB3 ALA 16 -7.314 -10.720 -5.445 58 H LEU 17 HN LEU 17 -4.073 -9.339 -4.913 59 HA LEU 17 HA LEU 17 -5.252 -7.752 -2.903 60 HB2 LEU 17 HB2 LEU 17 -2.420 -8.477 -3.602 61 HB3 LEU 17 HB1 LEU 17 -2.711 -7.261 -2.363 62 HG LEU 17 HG LEU 17 -4.182 -9.899 -2.237 63 HD11 LEU 17 HD11 LEU 17 -1.935 -10.682 -2.409 64 HD12 LEU 17 HD12 LEU 17 -2.279 -10.641 -0.681 65 HD13 LEU 17 HD13 LEU 17 -1.316 -9.361 -1.419 66 HD21 LEU 17 HD21 LEU 17 -4.009 -9.397 0.225 67 HD22 LEU 17 HD22 LEU 17 -4.870 -8.144 -0.664 68 HD23 LEU 17 HD23 LEU 17 -3.197 -7.886 -0.174 69 H LYS 18 HN LYS 18 -3.519 -6.913 -5.837 70 HA LYS 18 HA LYS 18 -3.049 -4.185 -5.257 71 HB2 LYS 18 HB2 LYS 18 -2.091 -5.583 -7.183 72 HB3 LYS 18 HB1 LYS 18 -3.615 -5.271 -8.016 73 HG2 LYS 18 HG2 LYS 18 -3.190 -2.781 -7.520 74 HG3 LYS 18 HG1 LYS 18 -1.543 -3.261 -7.111 75 HD2 LYS 18 HD2 LYS 18 -2.908 -3.848 -9.754 76 HD3 LYS 18 HD1 LYS 18 -1.753 -2.543 -9.486 77 HE2 LYS 18 HE2 LYS 18 -0.145 -4.369 -8.644 78 HE3 LYS 18 HE1 LYS 18 -1.263 -5.521 -9.377 79 HZ1 LYS 18 HZ1 LYS 18 -0.313 -3.225 -10.945 80 HZ2 LYS 18 HZ2 LYS 18 -0.823 -4.754 -11.477 81 HZ3 LYS 18 HZ3 LYS 18 0.700 -4.570 -10.751 82 H ALA 19 HN ALA 19 -5.843 -5.925 -6.480 83 HA ALA 19 HA ALA 19 -7.354 -3.396 -6.770 84 HB1 ALA 19 HB1 ALA 19 -9.072 -5.033 -7.810 85 HB2 ALA 19 HB2 ALA 19 -7.734 -6.181 -7.851 86 HB3 ALA 19 HB3 ALA 19 -7.617 -4.660 -8.733 87 H LYS 20 HN LYS 20 -6.630 -5.389 -4.371 88 HA LYS 20 HA LYS 20 -7.684 -6.204 -2.471 89 HB2 LYS 20 HB2 LYS 20 -9.026 -3.542 -2.957 90 HB3 LYS 20 HB1 LYS 20 -9.262 -4.483 -1.483 91 HG2 LYS 20 HG2 LYS 20 -7.005 -4.249 -0.816 92 HG3 LYS 20 HG1 LYS 20 -6.467 -3.843 -2.445 93 HD2 LYS 20 HD2 LYS 20 -6.472 -1.828 -1.086 94 HD3 LYS 20 HD1 LYS 20 -7.747 -1.710 -2.295 95 HE2 LYS 20 HE2 LYS 20 -8.291 -2.774 0.480 96 HE3 LYS 20 HE1 LYS 20 -8.369 -1.049 0.116 97 HZ1 LYS 20 HZ1 LYS 20 -10.239 -3.105 -0.500 98 HZ2 LYS 20 HZ2 LYS 20 -9.770 -2.267 -1.901 99 HZ3 LYS 20 HZ3 LYS 20 -10.426 -1.421 -0.582 100 H VAL 21 HN VAL 21 -8.683 -7.530 -4.587 101 HA VAL 21 HA VAL 21 -11.530 -7.352 -4.820 102 HB VAL 21 HB VAL 21 -9.791 -9.721 -5.518 103 HG11 VAL 21 HG11 VAL 21 -12.343 -8.692 -6.777 104 HG12 VAL 21 HG12 VAL 21 -12.313 -9.943 -5.535 105 HG13 VAL 21 HG13 VAL 21 -11.539 -10.229 -7.093 106 HG21 VAL 21 HG21 VAL 21 -10.313 -7.127 -6.981 107 HG22 VAL 21 HG22 VAL 21 -9.799 -8.592 -7.817 108 HG23 VAL 21 HG23 VAL 21 -8.757 -7.863 -6.595 109 H SER 22 HN SER 22 -9.849 -10.302 -3.875 110 HA SER 22 HA SER 22 -10.563 -10.589 -1.243 111 HB2 SER 22 HB2 SER 22 -12.861 -11.027 -3.088 112 HB3 SER 22 HB1 SER 22 -12.680 -12.165 -1.756 113 HG SER 22 HG SER 22 -13.403 -10.661 -0.501 114 H THR 23 HN THR 23 -9.577 -12.385 -0.529 115 HA THR 23 HA THR 23 -8.095 -14.043 -2.213 116 HB THR 23 HB THR 23 -8.079 -15.591 -0.118 117 HG1 THR 23 HG1 THR 23 -10.032 -14.702 0.717 118 HG21 THR 23 HG21 THR 23 -6.188 -14.222 -0.451 119 HG22 THR 23 HG22 THR 23 -6.750 -13.775 1.159 120 HG23 THR 23 HG23 THR 23 -7.109 -12.735 -0.217 121 H ALA 24 HN ALA 24 -11.430 -14.325 -1.146 122 HA ALA 24 HA ALA 24 -11.689 -17.087 -1.948 123 HB1 ALA 24 HB1 ALA 24 -14.034 -16.807 -1.403 124 HB2 ALA 24 HB2 ALA 24 -13.846 -15.055 -1.340 125 HB3 ALA 24 HB3 ALA 24 -13.059 -16.070 -0.133 126 H THR 25 HN THR 25 -12.550 -13.930 -3.268 127 HA THR 25 HA THR 25 -14.078 -14.780 -5.459 128 HB THR 25 HB THR 25 -13.248 -12.616 -6.548 129 HG1 THR 25 HG1 THR 25 -11.988 -12.433 -4.015 130 HG21 THR 25 HG21 THR 25 -15.319 -12.649 -5.301 131 HG22 THR 25 HG22 THR 25 -14.423 -11.206 -4.828 132 HG23 THR 25 HG23 THR 25 -14.448 -12.614 -3.768 133 H VAL 26 HN VAL 26 -10.653 -13.748 -5.619 134 HA VAL 26 HA VAL 26 -10.103 -14.654 -8.157 135 HB VAL 26 HB VAL 26 -8.616 -13.315 -6.567 136 HG11 VAL 26 HG11 VAL 26 -8.724 -15.167 -4.788 137 HG12 VAL 26 HG12 VAL 26 -7.136 -14.473 -5.109 138 HG13 VAL 26 HG13 VAL 26 -7.566 -16.042 -5.790 139 HG21 VAL 26 HG21 VAL 26 -7.343 -15.607 -8.098 140 HG22 VAL 26 HG22 VAL 26 -6.576 -14.072 -7.693 141 HG23 VAL 26 HG23 VAL 26 -7.924 -14.112 -8.829 142 H SER 27 HN SER 27 -10.352 -16.508 -5.194 143 HA SER 27 HA SER 27 -9.156 -18.898 -6.228 144 HB2 SER 27 HB2 SER 27 -10.914 -18.350 -3.836 145 HB3 SER 27 HB1 SER 27 -10.287 -19.951 -4.219 146 HG SER 27 HG SER 27 -8.828 -17.576 -3.683 147 H ARG 28 HN ARG 28 -12.377 -17.538 -6.230 148 HA ARG 28 HA ARG 28 -13.688 -19.987 -7.004 149 HB2 ARG 28 HB2 ARG 28 -14.567 -17.102 -6.899 150 HB3 ARG 28 HB1 ARG 28 -15.613 -18.390 -7.495 151 HG2 ARG 28 HG2 ARG 28 -15.595 -19.514 -5.396 152 HG3 ARG 28 HG1 ARG 28 -14.250 -18.539 -4.805 153 HD2 ARG 28 HD2 ARG 28 -16.331 -17.738 -3.808 154 HD3 ARG 28 HD1 ARG 28 -15.703 -16.522 -4.916 155 HE ARG 28 HE ARG 28 -17.616 -16.805 -6.183 156 HH11 ARG 28 HH21 ARG 28 -17.061 -19.573 -4.182 157 HH12 ARG 28 HH22 ARG 28 -18.536 -20.363 -4.629 158 HH21 ARG 28 HH11 ARG 28 -19.553 -17.835 -6.774 159 HH22 ARG 28 HH12 ARG 28 -19.946 -19.380 -6.096 160 H ALA 29 HN ALA 29 -11.950 -17.508 -8.591 161 HA ALA 29 HA ALA 29 -13.068 -17.318 -11.097 162 HB1 ALA 29 HB1 ALA 29 -10.133 -17.495 -10.381 163 HB2 ALA 29 HB2 ALA 29 -11.106 -16.026 -10.475 164 HB3 ALA 29 HB3 ALA 29 -10.757 -16.947 -11.937 165 H LEU 30 HN LEU 30 -11.676 -20.089 -9.614 166 HA LEU 30 HA LEU 30 -11.495 -21.521 -12.199 167 HB2 LEU 30 HB2 LEU 30 -10.283 -21.960 -9.475 168 HB3 LEU 30 HB1 LEU 30 -10.435 -23.309 -10.602 169 HG LEU 30 HG LEU 30 -9.127 -22.125 -12.276 170 HD11 LEU 30 HD11 LEU 30 -8.026 -19.903 -11.449 171 HD12 LEU 30 HD12 LEU 30 -9.379 -19.842 -10.319 172 HD13 LEU 30 HD13 LEU 30 -9.678 -19.851 -12.057 173 HD21 LEU 30 HD21 LEU 30 -7.980 -23.381 -10.402 174 HD22 LEU 30 HD22 LEU 30 -7.747 -21.832 -9.592 175 HD23 LEU 30 HD23 LEU 30 -6.987 -22.134 -11.155 176 H MET 31 HN MET 31 -13.254 -21.324 -9.192 177 HA MET 31 HA MET 31 -14.662 -23.855 -9.700 178 HB2 MET 31 HB2 MET 31 -14.940 -21.924 -7.390 179 HB3 MET 31 HB1 MET 31 -15.619 -23.547 -7.492 180 HG2 MET 31 HG2 MET 31 -12.650 -22.971 -7.671 181 HG3 MET 31 HG1 MET 31 -13.470 -23.397 -6.169 182 HE1 MET 31 HE1 MET 31 -13.650 -25.583 -5.323 183 HE2 MET 31 HE2 MET 31 -14.200 -26.984 -6.240 184 HE3 MET 31 HE3 MET 31 -15.210 -25.543 -6.156 185 H ASN 32 HN ASN 32 -15.561 -20.468 -8.960 186 HA ASN 32 HA ASN 32 -17.457 -20.230 -11.030 187 HB2 ASN 32 HB2 ASN 32 -18.427 -21.432 -8.480 188 HB3 ASN 32 HB1 ASN 32 -19.455 -20.197 -9.200 189 HD21 ASN 32 HD21 ASN 32 -19.646 -20.597 -11.785 190 HD22 ASN 32 HD22 ASN 32 -20.004 -22.202 -12.205 191 HA PRO 33 HA PRO 33 -16.520 -16.329 -8.782 192 HB2 PRO 33 HB2 PRO 33 -15.927 -14.767 -10.908 193 HB3 PRO 33 HB1 PRO 33 -14.771 -15.954 -10.271 194 HG2 PRO 33 HG2 PRO 33 -16.540 -16.136 -12.667 195 HG3 PRO 33 HG1 PRO 33 -14.870 -16.692 -12.457 196 HD2 PRO 33 HD2 PRO 33 -17.122 -18.335 -12.278 197 HD3 PRO 33 HD1 PRO 33 -15.536 -18.722 -11.576 198 H ASP 34 HN ASP 34 -18.793 -16.296 -8.210 199 HA ASP 34 HA ASP 34 -20.514 -14.720 -10.049 200 HB2 ASP 34 HB2 ASP 34 -21.277 -16.640 -7.834 201 HB3 ASP 34 HB1 ASP 34 -22.413 -15.696 -8.796 202 H LYS 35 HN LYS 35 -18.875 -14.740 -7.040 203 HA LYS 35 HA LYS 35 -20.575 -12.767 -5.759 204 HB2 LYS 35 HB2 LYS 35 -17.958 -14.084 -5.036 205 HB3 LYS 35 HB1 LYS 35 -18.600 -12.738 -4.098 206 HG2 LYS 35 HG2 LYS 35 -19.254 -14.987 -3.196 207 HG3 LYS 35 HG1 LYS 35 -20.631 -13.965 -3.607 208 HD2 LYS 35 HD2 LYS 35 -21.084 -15.173 -5.596 209 HD3 LYS 35 HD1 LYS 35 -19.497 -15.946 -5.587 210 HE2 LYS 35 HE2 LYS 35 -20.075 -17.351 -3.758 211 HE3 LYS 35 HE1 LYS 35 -21.503 -16.389 -3.369 212 HZ1 LYS 35 HZ1 LYS 35 -22.381 -17.031 -5.595 213 HZ2 LYS 35 HZ2 LYS 35 -22.229 -18.322 -4.500 214 HZ3 LYS 35 HZ3 LYS 35 -21.088 -18.116 -5.743 215 H VAL 36 HN VAL 36 -18.021 -12.752 -8.017 216 HA VAL 36 HA VAL 36 -16.835 -10.245 -7.318 217 HB VAL 36 HB VAL 36 -16.849 -11.445 -10.085 218 HG11 VAL 36 HG11 VAL 36 -14.825 -9.855 -8.478 219 HG12 VAL 36 HG12 VAL 36 -15.795 -9.247 -9.820 220 HG13 VAL 36 HG13 VAL 36 -14.562 -10.474 -10.109 221 HG21 VAL 36 HG21 VAL 36 -14.774 -12.683 -9.261 222 HG22 VAL 36 HG22 VAL 36 -16.316 -13.309 -8.674 223 HG23 VAL 36 HG23 VAL 36 -15.312 -12.310 -7.624 224 H SER 37 HN SER 37 -17.564 -8.255 -7.693 225 HA SER 37 HA SER 37 -20.124 -7.760 -8.772 226 HB2 SER 37 HB2 SER 37 -18.869 -6.294 -7.125 227 HB3 SER 37 HB1 SER 37 -17.909 -5.723 -8.486 228 HG SER 37 HG SER 37 -20.410 -5.041 -7.731 229 H GLN 38 HN GLN 38 -20.757 -6.817 -10.709 230 HA GLN 38 HA GLN 38 -19.660 -7.709 -13.050 231 HB2 GLN 38 HB2 GLN 38 -21.290 -5.227 -12.508 232 HB3 GLN 38 HB1 GLN 38 -20.869 -5.752 -14.139 233 HG2 GLN 38 HG2 GLN 38 -23.096 -6.596 -13.459 234 HG3 GLN 38 HG1 GLN 38 -21.962 -7.916 -13.747 235 HE21 GLN 38 HE21 GLN 38 -23.809 -6.225 -11.263 236 HE22 GLN 38 HE22 GLN 38 -23.455 -7.311 -10.008 237 H ALA 39 HN ALA 39 -19.179 -4.446 -11.679 238 HA ALA 39 HA ALA 39 -17.332 -3.597 -13.628 239 HB1 ALA 39 HB1 ALA 39 -18.421 -2.033 -12.053 240 HB2 ALA 39 HB2 ALA 39 -16.664 -1.876 -11.985 241 HB3 ALA 39 HB3 ALA 39 -17.520 -2.755 -10.718 242 H THR 40 HN THR 40 -16.753 -4.902 -10.358 243 HA THR 40 HA THR 40 -13.961 -5.008 -10.518 244 HB THR 40 HB THR 40 -15.867 -6.767 -8.957 245 HG1 THR 40 HG1 THR 40 -14.351 -4.580 -8.032 246 HG21 THR 40 HG21 THR 40 -13.721 -7.846 -9.012 247 HG22 THR 40 HG22 THR 40 -13.846 -7.028 -7.455 248 HG23 THR 40 HG23 THR 40 -12.881 -6.317 -8.748 249 H ARG 41 HN ARG 41 -16.415 -7.094 -11.833 250 HA ARG 41 HA ARG 41 -14.767 -9.383 -12.242 251 HB2 ARG 41 HB2 ARG 41 -17.265 -9.435 -12.218 252 HB3 ARG 41 HB1 ARG 41 -17.257 -8.589 -13.765 253 HG2 ARG 41 HG2 ARG 41 -16.138 -10.405 -14.856 254 HG3 ARG 41 HG1 ARG 41 -15.787 -11.195 -13.319 255 HD2 ARG 41 HD2 ARG 41 -18.080 -11.742 -12.962 256 HD3 ARG 41 HD1 ARG 41 -18.613 -10.661 -14.246 257 HE ARG 41 HE ARG 41 -18.242 -12.390 -15.733 258 HH11 ARG 41 HH21 ARG 41 -16.372 -12.846 -12.858 259 HH12 ARG 41 HH22 ARG 41 -15.755 -14.392 -13.340 260 HH21 ARG 41 HH11 ARG 41 -17.437 -14.415 -16.372 261 HH22 ARG 41 HH12 ARG 41 -16.358 -15.280 -15.329 262 H ASN 42 HN ASN 42 -15.602 -6.565 -14.210 263 HA ASN 42 HA ASN 42 -14.388 -7.471 -16.604 264 HB2 ASN 42 HB2 ASN 42 -15.041 -4.708 -15.577 265 HB3 ASN 42 HB1 ASN 42 -14.365 -5.001 -17.177 266 HD21 ASN 42 HD21 ASN 42 -15.725 -7.245 -18.058 267 HD22 ASN 42 HD22 ASN 42 -17.394 -6.944 -18.107 268 H ARG 43 HN ARG 43 -13.170 -5.799 -13.773 269 HA ARG 43 HA ARG 43 -10.654 -5.041 -14.868 270 HB2 ARG 43 HB2 ARG 43 -11.545 -5.484 -12.009 271 HB3 ARG 43 HB1 ARG 43 -9.981 -4.808 -12.466 272 HG2 ARG 43 HG2 ARG 43 -11.239 -3.043 -13.779 273 HG3 ARG 43 HG1 ARG 43 -12.719 -3.646 -13.034 274 HD2 ARG 43 HD2 ARG 43 -10.299 -2.640 -11.512 275 HD3 ARG 43 HD1 ARG 43 -11.769 -1.713 -11.795 276 HE ARG 43 HE ARG 43 -12.288 -4.254 -10.546 277 HH11 ARG 43 HH21 ARG 43 -11.289 -0.975 -10.062 278 HH12 ARG 43 HH22 ARG 43 -11.819 -0.912 -8.414 279 HH21 ARG 43 HH11 ARG 43 -12.985 -4.178 -8.386 280 HH22 ARG 43 HH12 ARG 43 -12.780 -2.725 -7.465 281 H VAL 44 HN VAL 44 -11.811 -7.867 -13.086 282 HA VAL 44 HA VAL 44 -9.342 -9.146 -12.697 283 HB VAL 44 HB VAL 44 -12.149 -10.231 -13.017 284 HG11 VAL 44 HG11 VAL 44 -10.727 -12.064 -13.596 285 HG12 VAL 44 HG12 VAL 44 -11.142 -12.292 -11.898 286 HG13 VAL 44 HG13 VAL 44 -9.563 -11.648 -12.338 287 HG21 VAL 44 HG21 VAL 44 -10.409 -10.058 -10.549 288 HG22 VAL 44 HG22 VAL 44 -12.150 -10.325 -10.633 289 HG23 VAL 44 HG23 VAL 44 -11.480 -8.745 -11.039 290 H GLU 45 HN GLU 45 -11.756 -9.575 -15.292 291 HA GLU 45 HA GLU 45 -10.448 -11.468 -16.823 292 HB2 GLU 45 HB2 GLU 45 -12.710 -10.691 -17.354 293 HB3 GLU 45 HB1 GLU 45 -12.075 -9.112 -17.819 294 HG2 GLU 45 HG2 GLU 45 -10.864 -10.056 -19.670 295 HG3 GLU 45 HG1 GLU 45 -11.204 -11.699 -19.129 296 H LYS 46 HN LYS 46 -9.999 -7.936 -16.864 297 HA LYS 46 HA LYS 46 -8.070 -7.958 -18.969 298 HB2 LYS 46 HB2 LYS 46 -9.371 -5.945 -18.376 299 HB3 LYS 46 HB1 LYS 46 -8.550 -5.881 -16.817 300 HG2 LYS 46 HG2 LYS 46 -6.396 -5.553 -17.907 301 HG3 LYS 46 HG1 LYS 46 -7.130 -5.765 -19.497 302 HD2 LYS 46 HD2 LYS 46 -8.624 -3.785 -18.947 303 HD3 LYS 46 HD1 LYS 46 -7.598 -3.505 -17.538 304 HE2 LYS 46 HE2 LYS 46 -6.607 -3.633 -20.401 305 HE3 LYS 46 HE1 LYS 46 -6.891 -2.145 -19.500 306 HZ1 LYS 46 HZ1 LYS 46 -5.345 -3.302 -17.775 307 HZ2 LYS 46 HZ2 LYS 46 -4.681 -2.485 -19.108 308 HZ3 LYS 46 HZ3 LYS 46 -4.810 -4.180 -19.123 309 H ALA 47 HN ALA 47 -7.874 -8.048 -15.442 310 HA ALA 47 HA ALA 47 -5.121 -7.667 -15.134 311 HB1 ALA 47 HB1 ALA 47 -5.452 -9.061 -13.013 312 HB2 ALA 47 HB2 ALA 47 -7.140 -9.201 -13.499 313 HB3 ALA 47 HB3 ALA 47 -6.446 -7.613 -13.169 314 H ALA 48 HN ALA 48 -6.880 -10.356 -16.394 315 HA ALA 48 HA ALA 48 -4.916 -12.377 -15.891 316 HB1 ALA 48 HB1 ALA 48 -7.381 -12.728 -16.471 317 HB2 ALA 48 HB2 ALA 48 -6.224 -13.768 -17.300 318 HB3 ALA 48 HB3 ALA 48 -6.927 -12.386 -18.140 319 H ARG 49 HN ARG 49 -5.695 -10.329 -18.691 320 HA ARG 49 HA ARG 49 -3.530 -11.374 -20.279 321 HB2 ARG 49 HB2 ARG 49 -5.387 -9.012 -20.605 322 HB3 ARG 49 HB1 ARG 49 -4.113 -9.392 -21.766 323 HG2 ARG 49 HG2 ARG 49 -5.085 -11.564 -22.226 324 HG3 ARG 49 HG1 ARG 49 -6.253 -11.370 -20.917 325 HD2 ARG 49 HD2 ARG 49 -7.103 -10.894 -23.289 326 HD3 ARG 49 HD1 ARG 49 -7.426 -9.661 -22.075 327 HE ARG 49 HE ARG 49 -6.098 -8.224 -23.304 328 HH11 ARG 49 HH21 ARG 49 -5.332 -11.515 -24.048 329 HH12 ARG 49 HH22 ARG 49 -4.202 -11.115 -25.295 330 HH21 ARG 49 HH11 ARG 49 -4.614 -7.690 -24.940 331 HH22 ARG 49 HH12 ARG 49 -3.795 -8.949 -25.801 332 H GLU 50 HN GLU 50 -4.024 -8.585 -18.189 333 HA GLU 50 HA GLU 50 -1.665 -7.193 -18.951 334 HB2 GLU 50 HB2 GLU 50 -3.724 -6.218 -17.847 335 HB3 GLU 50 HB1 GLU 50 -3.168 -6.957 -16.343 336 HG2 GLU 50 HG2 GLU 50 -2.318 -4.731 -16.318 337 HG3 GLU 50 HG1 GLU 50 -0.951 -5.758 -16.738 338 H VAL 51 HN VAL 51 -2.432 -9.485 -16.342 339 HA VAL 51 HA VAL 51 0.123 -9.174 -15.067 340 HB VAL 51 HB VAL 51 -2.038 -9.948 -13.960 341 HG11 VAL 51 HG11 VAL 51 -2.462 -11.677 -15.793 342 HG12 VAL 51 HG12 VAL 51 -2.676 -12.237 -14.137 343 HG13 VAL 51 HG13 VAL 51 -1.210 -12.648 -15.027 344 HG21 VAL 51 HG21 VAL 51 0.221 -10.095 -12.913 345 HG22 VAL 51 HG22 VAL 51 0.406 -11.707 -13.606 346 HG23 VAL 51 HG23 VAL 51 -0.845 -11.403 -12.401 347 H GLY 52 HN GLY 52 -1.091 -11.092 -17.680 348 HA2 GLY 52 HA2 GLY 52 0.142 -12.317 -19.226 349 HA3 GLY 52 HA1 GLY 52 1.566 -12.121 -18.210 350 H TYR 53 HN TYR 53 -1.617 -13.477 -17.384 351 HA TYR 53 HA TYR 53 -0.288 -15.911 -16.389 352 HB2 TYR 53 HB2 TYR 53 -1.857 -14.864 -14.853 353 HB3 TYR 53 HB1 TYR 53 -3.133 -14.908 -16.073 354 HD1 TYR 53 HD2 TYR 53 -0.720 -17.156 -14.296 355 HD2 TYR 53 HD1 TYR 53 -4.576 -16.765 -16.146 356 HE1 TYR 53 HE2 TYR 53 -1.293 -19.459 -13.586 357 HE2 TYR 53 HE1 TYR 53 -5.150 -19.070 -15.436 358 HH TYR 53 HH TYR 53 -4.337 -20.647 -13.482 359 H LEU 54 HN LEU 54 -0.203 -17.670 -17.602 360 HA LEU 54 HA LEU 54 -2.157 -18.007 -19.807 361 HB2 LEU 54 HB2 LEU 54 0.731 -18.839 -19.518 362 HB3 LEU 54 HB1 LEU 54 -0.315 -19.510 -20.766 363 HG LEU 54 HG LEU 54 -0.183 -16.511 -20.477 364 HD11 LEU 54 HD11 LEU 54 2.168 -17.092 -20.461 365 HD12 LEU 54 HD12 LEU 54 1.758 -16.503 -22.072 366 HD13 LEU 54 HD13 LEU 54 1.941 -18.234 -21.788 367 HD21 LEU 54 HD21 LEU 54 -0.448 -18.425 -22.826 368 HD22 LEU 54 HD22 LEU 54 -0.426 -16.669 -22.965 369 HD23 LEU 54 HD23 LEU 54 -1.741 -17.465 -22.109 370 HA PRO 55 HA PRO 55 -3.487 -21.700 -17.737 371 HB2 PRO 55 HB2 PRO 55 -4.438 -23.193 -19.815 372 HB3 PRO 55 HB1 PRO 55 -5.259 -21.728 -19.237 373 HG2 PRO 55 HG2 PRO 55 -3.418 -22.058 -21.576 374 HG3 PRO 55 HG1 PRO 55 -4.954 -21.173 -21.472 375 HD2 PRO 55 HD2 PRO 55 -2.537 -19.917 -21.311 376 HD3 PRO 55 HD1 PRO 55 -3.974 -19.326 -20.450 Start of MODEL 9 1 H ALA 9 HT1 ALA 9 7.952 -13.282 -14.159 2 HA ALA 9 HA ALA 9 5.848 -14.130 -14.311 3 HB1 ALA 9 HB1 ALA 9 7.025 -16.015 -12.262 4 HB2 ALA 9 HB2 ALA 9 7.654 -15.904 -13.906 5 HB3 ALA 9 HB3 ALA 9 5.986 -16.410 -13.631 6 H ALA 10 HN ALA 10 4.232 -12.878 -13.459 7 HA ALA 10 HA ALA 10 3.723 -12.923 -10.564 8 HB1 ALA 10 HB1 ALA 10 3.624 -10.748 -11.647 9 HB2 ALA 10 HB2 ALA 10 2.007 -11.206 -11.115 10 HB3 ALA 10 HB3 ALA 10 2.450 -11.349 -12.817 11 H THR 11 HN THR 11 1.117 -12.772 -10.256 12 HA THR 11 HA THR 11 -0.194 -14.932 -11.760 13 HB THR 11 HB THR 11 -0.122 -14.867 -8.734 14 HG1 THR 11 HG1 THR 11 1.840 -15.569 -9.161 15 HG21 THR 11 HG21 THR 11 -1.202 -17.000 -8.877 16 HG22 THR 11 HG22 THR 11 -0.953 -17.078 -10.621 17 HG23 THR 11 HG23 THR 11 -2.090 -15.915 -9.944 18 H MET 12 HN MET 12 -2.426 -14.763 -11.821 19 HA MET 12 HA MET 12 -3.577 -12.232 -11.675 20 HB2 MET 12 HB2 MET 12 -5.774 -13.488 -11.711 21 HB3 MET 12 HB1 MET 12 -4.641 -13.927 -12.990 22 HG2 MET 12 HG2 MET 12 -3.905 -15.879 -11.695 23 HG3 MET 12 HG1 MET 12 -4.990 -15.431 -10.379 24 HE1 MET 12 HE1 MET 12 -5.180 -18.041 -10.983 25 HE2 MET 12 HE2 MET 12 -6.718 -18.552 -11.674 26 HE3 MET 12 HE3 MET 12 -6.702 -17.501 -10.258 27 H LYS 13 HN LYS 13 -3.101 -14.617 -9.193 28 HA LYS 13 HA LYS 13 -5.025 -13.613 -7.341 29 HB2 LYS 13 HB2 LYS 13 -3.955 -15.918 -7.320 30 HB3 LYS 13 HB1 LYS 13 -2.513 -15.143 -6.666 31 HG2 LYS 13 HG2 LYS 13 -4.001 -14.160 -4.853 32 HG3 LYS 13 HG1 LYS 13 -5.277 -15.222 -5.439 33 HD2 LYS 13 HD2 LYS 13 -4.340 -16.546 -3.760 34 HD3 LYS 13 HD1 LYS 13 -3.447 -17.111 -5.170 35 HE2 LYS 13 HE2 LYS 13 -1.566 -15.657 -4.610 36 HE3 LYS 13 HE1 LYS 13 -2.473 -14.946 -3.277 37 HZ1 LYS 13 HZ1 LYS 13 -2.276 -16.818 -2.016 38 HZ2 LYS 13 HZ2 LYS 13 -0.809 -16.893 -2.871 39 HZ3 LYS 13 HZ3 LYS 13 -2.126 -17.855 -3.350 40 H ASP 14 HN ASP 14 -1.603 -12.962 -7.959 41 HA ASP 14 HA ASP 14 -1.189 -11.373 -5.636 42 HB2 ASP 14 HB2 ASP 14 0.296 -11.525 -8.265 43 HB3 ASP 14 HB1 ASP 14 0.845 -10.588 -6.877 44 H VAL 15 HN VAL 15 -2.290 -10.672 -8.916 45 HA VAL 15 HA VAL 15 -2.047 -7.858 -8.750 46 HB VAL 15 HB VAL 15 -3.879 -9.611 -10.406 47 HG11 VAL 15 HG11 VAL 15 -4.960 -7.506 -10.379 48 HG12 VAL 15 HG12 VAL 15 -3.972 -7.458 -11.838 49 HG13 VAL 15 HG13 VAL 15 -3.435 -6.621 -10.384 50 HG21 VAL 15 HG21 VAL 15 -1.211 -8.259 -10.890 51 HG22 VAL 15 HG22 VAL 15 -2.230 -8.834 -12.208 52 HG23 VAL 15 HG23 VAL 15 -1.596 -9.976 -11.022 53 H ALA 16 HN ALA 16 -4.580 -10.125 -7.813 54 HA ALA 16 HA ALA 16 -6.677 -8.364 -7.314 55 HB1 ALA 16 HB1 ALA 16 -7.068 -10.723 -7.105 56 HB2 ALA 16 HB2 ALA 16 -7.340 -10.015 -5.513 57 HB3 ALA 16 HB3 ALA 16 -5.839 -10.874 -5.849 58 H LEU 17 HN LEU 17 -3.974 -9.310 -5.238 59 HA LEU 17 HA LEU 17 -4.593 -7.955 -2.912 60 HB2 LEU 17 HB2 LEU 17 -2.567 -9.440 -3.367 61 HB3 LEU 17 HB1 LEU 17 -1.815 -8.018 -4.088 62 HG LEU 17 HG LEU 17 -2.516 -6.851 -1.814 63 HD11 LEU 17 HD11 LEU 17 -2.408 -9.795 -1.063 64 HD12 LEU 17 HD12 LEU 17 -3.795 -8.720 -0.884 65 HD13 LEU 17 HD13 LEU 17 -2.351 -8.466 0.093 66 HD21 LEU 17 HD21 LEU 17 -0.230 -8.843 -2.017 67 HD22 LEU 17 HD22 LEU 17 -0.328 -7.533 -0.840 68 HD23 LEU 17 HD23 LEU 17 -0.190 -7.165 -2.561 69 H LYS 18 HN LYS 18 -3.200 -6.712 -5.903 70 HA LYS 18 HA LYS 18 -2.667 -4.085 -4.941 71 HB2 LYS 18 HB2 LYS 18 -1.721 -5.185 -7.042 72 HB3 LYS 18 HB1 LYS 18 -3.274 -4.840 -7.803 73 HG2 LYS 18 HG2 LYS 18 -2.106 -2.908 -8.391 74 HG3 LYS 18 HG1 LYS 18 -2.819 -2.378 -6.869 75 HD2 LYS 18 HD2 LYS 18 -0.708 -3.098 -5.703 76 HD3 LYS 18 HD1 LYS 18 -0.008 -3.445 -7.283 77 HE2 LYS 18 HE2 LYS 18 -0.209 -1.137 -7.958 78 HE3 LYS 18 HE1 LYS 18 -1.143 -0.744 -6.514 79 HZ1 LYS 18 HZ1 LYS 18 1.125 -0.068 -6.211 80 HZ2 LYS 18 HZ2 LYS 18 1.693 -1.620 -6.605 81 HZ3 LYS 18 HZ3 LYS 18 0.804 -1.375 -5.178 82 H ALA 19 HN ALA 19 -5.453 -5.587 -6.516 83 HA ALA 19 HA ALA 19 -6.940 -3.057 -6.496 84 HB1 ALA 19 HB1 ALA 19 -7.479 -5.803 -7.617 85 HB2 ALA 19 HB2 ALA 19 -7.329 -4.273 -8.478 86 HB3 ALA 19 HB3 ALA 19 -8.758 -4.595 -7.498 87 H LYS 20 HN LYS 20 -6.187 -5.283 -4.259 88 HA LYS 20 HA LYS 20 -7.163 -6.111 -2.335 89 HB2 LYS 20 HB2 LYS 20 -8.612 -3.458 -2.463 90 HB3 LYS 20 HB1 LYS 20 -8.299 -4.424 -1.018 91 HG2 LYS 20 HG2 LYS 20 -5.800 -4.219 -1.620 92 HG3 LYS 20 HG1 LYS 20 -6.292 -2.951 -2.744 93 HD2 LYS 20 HD2 LYS 20 -7.383 -1.739 -0.883 94 HD3 LYS 20 HD1 LYS 20 -6.842 -2.992 0.235 95 HE2 LYS 20 HE2 LYS 20 -5.297 -1.081 0.294 96 HE3 LYS 20 HE1 LYS 20 -4.488 -2.500 -0.372 97 HZ1 LYS 20 HZ1 LYS 20 -4.038 -1.303 -2.162 98 HZ2 LYS 20 HZ2 LYS 20 -4.947 0.010 -1.582 99 HZ3 LYS 20 HZ3 LYS 20 -5.697 -1.208 -2.499 100 H VAL 21 HN VAL 21 -8.337 -7.346 -4.338 101 HA VAL 21 HA VAL 21 -11.227 -6.996 -4.289 102 HB VAL 21 HB VAL 21 -9.451 -9.010 -5.677 103 HG11 VAL 21 HG11 VAL 21 -11.620 -9.373 -7.017 104 HG12 VAL 21 HG12 VAL 21 -12.442 -8.588 -5.668 105 HG13 VAL 21 HG13 VAL 21 -11.549 -10.085 -5.407 106 HG21 VAL 21 HG21 VAL 21 -11.047 -6.678 -6.776 107 HG22 VAL 21 HG22 VAL 21 -9.920 -7.702 -7.665 108 HG23 VAL 21 HG23 VAL 21 -9.321 -6.606 -6.419 109 H SER 22 HN SER 22 -9.544 -10.072 -4.172 110 HA SER 22 HA SER 22 -9.968 -10.814 -1.531 111 HB2 SER 22 HB2 SER 22 -12.377 -11.104 -3.276 112 HB3 SER 22 HB1 SER 22 -12.047 -12.380 -2.107 113 HG SER 22 HG SER 22 -13.288 -10.809 -1.120 114 H THR 23 HN THR 23 -8.930 -12.691 -1.187 115 HA THR 23 HA THR 23 -7.615 -14.000 -3.345 116 HB THR 23 HB THR 23 -6.987 -15.660 -1.474 117 HG1 THR 23 HG1 THR 23 -8.786 -13.974 -0.242 118 HG21 THR 23 HG21 THR 23 -6.395 -12.699 -1.397 119 HG22 THR 23 HG22 THR 23 -5.394 -13.999 -2.043 120 HG23 THR 23 HG23 THR 23 -5.606 -13.831 -0.301 121 H ALA 24 HN ALA 24 -10.596 -14.612 -1.615 122 HA ALA 24 HA ALA 24 -10.857 -17.337 -2.520 123 HB1 ALA 24 HB1 ALA 24 -12.873 -15.438 -1.298 124 HB2 ALA 24 HB2 ALA 24 -11.911 -16.638 -0.434 125 HB3 ALA 24 HB3 ALA 24 -13.144 -17.156 -1.587 126 H THR 25 HN THR 25 -12.105 -14.187 -3.485 127 HA THR 25 HA THR 25 -14.014 -15.004 -5.360 128 HB THR 25 HB THR 25 -13.543 -12.765 -6.454 129 HG1 THR 25 HG1 THR 25 -11.771 -11.808 -5.932 130 HG21 THR 25 HG21 THR 25 -14.347 -11.487 -4.490 131 HG22 THR 25 HG22 THR 25 -13.937 -12.850 -3.450 132 HG23 THR 25 HG23 THR 25 -15.205 -13.018 -4.664 133 H VAL 26 HN VAL 26 -10.734 -13.806 -6.195 134 HA VAL 26 HA VAL 26 -10.812 -14.692 -8.847 135 HB VAL 26 HB VAL 26 -8.543 -14.040 -6.966 136 HG11 VAL 26 HG11 VAL 26 -8.394 -14.970 -9.846 137 HG12 VAL 26 HG12 VAL 26 -7.524 -15.614 -8.454 138 HG13 VAL 26 HG13 VAL 26 -7.117 -14.021 -9.087 139 HG21 VAL 26 HG21 VAL 26 -9.734 -12.693 -9.410 140 HG22 VAL 26 HG22 VAL 26 -8.325 -12.103 -8.530 141 HG23 VAL 26 HG23 VAL 26 -9.897 -12.162 -7.737 142 H SER 27 HN SER 27 -10.103 -16.421 -5.901 143 HA SER 27 HA SER 27 -8.814 -18.648 -7.196 144 HB2 SER 27 HB2 SER 27 -8.326 -18.170 -4.861 145 HB3 SER 27 HB1 SER 27 -10.022 -18.369 -4.437 146 HG SER 27 HG SER 27 -9.448 -20.374 -4.147 147 H ARG 28 HN ARG 28 -12.083 -17.920 -6.045 148 HA ARG 28 HA ARG 28 -13.094 -20.539 -6.795 149 HB2 ARG 28 HB2 ARG 28 -14.446 -18.022 -5.803 150 HB3 ARG 28 HB1 ARG 28 -15.302 -19.521 -6.167 151 HG2 ARG 28 HG2 ARG 28 -14.055 -20.724 -4.483 152 HG3 ARG 28 HG1 ARG 28 -12.990 -19.343 -4.218 153 HD2 ARG 28 HD2 ARG 28 -14.735 -18.057 -3.234 154 HD3 ARG 28 HD1 ARG 28 -15.978 -19.166 -3.804 155 HE ARG 28 HE ARG 28 -14.357 -19.466 -1.432 156 HH11 ARG 28 HH21 ARG 28 -16.177 -21.058 -3.908 157 HH12 ARG 28 HH22 ARG 28 -16.521 -22.458 -2.950 158 HH21 ARG 28 HH11 ARG 28 -14.806 -21.299 -0.167 159 HH22 ARG 28 HH12 ARG 28 -15.745 -22.594 -0.831 160 H ALA 29 HN ALA 29 -12.811 -17.366 -8.151 161 HA ALA 29 HA ALA 29 -14.792 -17.252 -10.050 162 HB1 ALA 29 HB1 ALA 29 -13.191 -15.929 -11.432 163 HB2 ALA 29 HB2 ALA 29 -11.899 -16.405 -10.330 164 HB3 ALA 29 HB3 ALA 29 -13.238 -15.415 -9.746 165 H LEU 30 HN LEU 30 -11.632 -18.859 -10.379 166 HA LEU 30 HA LEU 30 -11.951 -19.748 -13.006 167 HB2 LEU 30 HB2 LEU 30 -10.319 -20.679 -10.668 168 HB3 LEU 30 HB1 LEU 30 -10.410 -21.722 -12.080 169 HG LEU 30 HG LEU 30 -8.449 -20.180 -12.119 170 HD11 LEU 30 HD11 LEU 30 -8.526 -19.876 -14.396 171 HD12 LEU 30 HD12 LEU 30 -10.160 -19.224 -14.384 172 HD13 LEU 30 HD13 LEU 30 -9.901 -20.961 -14.230 173 HD21 LEU 30 HD21 LEU 30 -9.538 -18.272 -10.967 174 HD22 LEU 30 HD22 LEU 30 -10.541 -17.996 -12.393 175 HD23 LEU 30 HD23 LEU 30 -8.795 -17.784 -12.490 176 H MET 31 HN MET 31 -13.862 -20.476 -10.400 177 HA MET 31 HA MET 31 -14.759 -23.042 -11.610 178 HB2 MET 31 HB2 MET 31 -14.885 -22.217 -8.698 179 HB3 MET 31 HB1 MET 31 -15.458 -23.742 -9.374 180 HG2 MET 31 HG2 MET 31 -13.246 -24.423 -9.965 181 HG3 MET 31 HG1 MET 31 -12.596 -22.809 -9.671 182 HE1 MET 31 HE1 MET 31 -11.653 -25.740 -8.528 183 HE2 MET 31 HE2 MET 31 -11.065 -25.216 -6.952 184 HE3 MET 31 HE3 MET 31 -10.746 -24.229 -8.377 185 H ASN 32 HN ASN 32 -15.751 -20.100 -9.884 186 HA ASN 32 HA ASN 32 -18.252 -20.044 -11.361 187 HB2 ASN 32 HB2 ASN 32 -18.771 -21.531 -9.464 188 HB3 ASN 32 HB1 ASN 32 -18.256 -20.268 -8.346 189 HD21 ASN 32 HD21 ASN 32 -20.202 -19.969 -11.361 190 HD22 ASN 32 HD22 ASN 32 -21.549 -19.279 -10.594 191 HA PRO 33 HA PRO 33 -16.682 -15.875 -10.195 192 HB2 PRO 33 HB2 PRO 33 -16.721 -14.724 -12.638 193 HB3 PRO 33 HB1 PRO 33 -15.423 -15.836 -12.154 194 HG2 PRO 33 HG2 PRO 33 -17.786 -16.336 -13.903 195 HG3 PRO 33 HG1 PRO 33 -16.124 -16.935 -14.055 196 HD2 PRO 33 HD2 PRO 33 -18.264 -18.390 -12.972 197 HD3 PRO 33 HD1 PRO 33 -16.546 -18.763 -12.709 198 H ASP 34 HN ASP 34 -18.985 -16.169 -9.205 199 HA ASP 34 HA ASP 34 -20.895 -14.357 -10.590 200 HB2 ASP 34 HB2 ASP 34 -22.677 -15.557 -9.357 201 HB3 ASP 34 HB1 ASP 34 -21.786 -16.618 -10.447 202 H LYS 35 HN LYS 35 -19.106 -15.032 -7.688 203 HA LYS 35 HA LYS 35 -20.643 -13.294 -5.985 204 HB2 LYS 35 HB2 LYS 35 -17.957 -14.643 -5.705 205 HB3 LYS 35 HB1 LYS 35 -18.605 -13.567 -4.470 206 HG2 LYS 35 HG2 LYS 35 -20.339 -15.805 -5.500 207 HG3 LYS 35 HG1 LYS 35 -19.061 -16.185 -4.350 208 HD2 LYS 35 HD2 LYS 35 -20.935 -13.898 -3.754 209 HD3 LYS 35 HD1 LYS 35 -21.475 -15.552 -3.475 210 HE2 LYS 35 HE2 LYS 35 -19.453 -15.939 -2.063 211 HE3 LYS 35 HE1 LYS 35 -19.012 -14.244 -2.276 212 HZ1 LYS 35 HZ1 LYS 35 -20.186 -14.210 -0.316 213 HZ2 LYS 35 HZ2 LYS 35 -21.291 -15.400 -0.816 214 HZ3 LYS 35 HZ3 LYS 35 -21.399 -13.822 -1.436 215 H VAL 36 HN VAL 36 -18.013 -12.926 -8.212 216 HA VAL 36 HA VAL 36 -16.899 -10.535 -7.179 217 HB VAL 36 HB VAL 36 -16.963 -11.261 -10.109 218 HG11 VAL 36 HG11 VAL 36 -15.901 -9.137 -9.509 219 HG12 VAL 36 HG12 VAL 36 -14.669 -10.299 -10.004 220 HG13 VAL 36 HG13 VAL 36 -14.916 -9.950 -8.292 221 HG21 VAL 36 HG21 VAL 36 -16.390 -13.335 -9.079 222 HG22 VAL 36 HG22 VAL 36 -15.414 -12.538 -7.846 223 HG23 VAL 36 HG23 VAL 36 -14.850 -12.596 -9.515 224 H SER 37 HN SER 37 -17.470 -8.441 -7.425 225 HA SER 37 HA SER 37 -20.124 -7.790 -8.201 226 HB2 SER 37 HB2 SER 37 -18.719 -6.547 -6.496 227 HB3 SER 37 HB1 SER 37 -17.831 -5.853 -7.850 228 HG SER 37 HG SER 37 -19.412 -4.430 -7.646 229 H GLN 38 HN GLN 38 -20.821 -6.490 -9.941 230 HA GLN 38 HA GLN 38 -19.975 -7.179 -12.458 231 HB2 GLN 38 HB2 GLN 38 -21.199 -4.519 -11.683 232 HB3 GLN 38 HB1 GLN 38 -21.197 -5.230 -13.295 233 HG2 GLN 38 HG2 GLN 38 -23.315 -5.820 -12.462 234 HG3 GLN 38 HG1 GLN 38 -22.357 -7.268 -12.164 235 HE21 GLN 38 HE21 GLN 38 -24.354 -7.351 -10.491 236 HE22 GLN 38 HE22 GLN 38 -24.002 -6.726 -8.952 237 H ALA 39 HN ALA 39 -19.131 -4.124 -10.802 238 HA ALA 39 HA ALA 39 -17.332 -3.255 -12.790 239 HB1 ALA 39 HB1 ALA 39 -17.279 -2.668 -9.811 240 HB2 ALA 39 HB2 ALA 39 -18.187 -1.755 -11.018 241 HB3 ALA 39 HB3 ALA 39 -16.422 -1.752 -11.052 242 H THR 40 HN THR 40 -16.712 -4.899 -9.691 243 HA THR 40 HA THR 40 -13.955 -5.238 -10.010 244 HB THR 40 HB THR 40 -15.904 -7.012 -8.521 245 HG1 THR 40 HG1 THR 40 -16.047 -5.407 -7.208 246 HG21 THR 40 HG21 THR 40 -13.675 -8.025 -8.783 247 HG22 THR 40 HG22 THR 40 -13.937 -7.525 -7.115 248 HG23 THR 40 HG23 THR 40 -12.925 -6.549 -8.177 249 H ARG 41 HN ARG 41 -16.631 -6.938 -11.420 250 HA ARG 41 HA ARG 41 -15.237 -9.345 -12.075 251 HB2 ARG 41 HB2 ARG 41 -17.723 -9.171 -11.966 252 HB3 ARG 41 HB1 ARG 41 -17.681 -8.176 -13.422 253 HG2 ARG 41 HG2 ARG 41 -16.805 -9.963 -14.740 254 HG3 ARG 41 HG1 ARG 41 -16.434 -10.929 -13.312 255 HD2 ARG 41 HD2 ARG 41 -18.564 -11.540 -14.638 256 HD3 ARG 41 HD1 ARG 41 -18.708 -11.397 -12.889 257 HE ARG 41 HE ARG 41 -19.262 -8.885 -14.042 258 HH11 ARG 41 HH21 ARG 41 -20.520 -12.103 -13.850 259 HH12 ARG 41 HH22 ARG 41 -22.173 -11.615 -14.023 260 HH21 ARG 41 HH11 ARG 41 -21.426 -8.238 -14.273 261 HH22 ARG 41 HH12 ARG 41 -22.686 -9.427 -14.263 262 H ASN 42 HN ASN 42 -15.748 -6.261 -13.692 263 HA ASN 42 HA ASN 42 -14.648 -7.123 -16.195 264 HB2 ASN 42 HB2 ASN 42 -16.239 -5.203 -15.940 265 HB3 ASN 42 HB1 ASN 42 -14.941 -4.294 -15.168 266 HD21 ASN 42 HD21 ASN 42 -14.088 -2.857 -16.676 267 HD22 ASN 42 HD22 ASN 42 -13.769 -3.230 -18.301 268 H ARG 43 HN ARG 43 -13.374 -5.369 -13.381 269 HA ARG 43 HA ARG 43 -10.866 -4.713 -14.457 270 HB2 ARG 43 HB2 ARG 43 -11.923 -3.825 -12.325 271 HB3 ARG 43 HB1 ARG 43 -11.412 -5.327 -11.554 272 HG2 ARG 43 HG2 ARG 43 -9.063 -4.806 -12.443 273 HG3 ARG 43 HG1 ARG 43 -9.673 -3.189 -12.796 274 HD2 ARG 43 HD2 ARG 43 -10.340 -2.937 -10.423 275 HD3 ARG 43 HD1 ARG 43 -9.683 -4.534 -10.080 276 HE ARG 43 HE ARG 43 -7.543 -3.619 -10.153 277 HH11 ARG 43 HH21 ARG 43 -9.893 -1.452 -11.478 278 HH12 ARG 43 HH22 ARG 43 -8.798 -0.115 -11.595 279 HH21 ARG 43 HH11 ARG 43 -6.100 -1.871 -10.306 280 HH22 ARG 43 HH12 ARG 43 -6.650 -0.352 -10.933 281 H VAL 44 HN VAL 44 -11.884 -7.522 -12.494 282 HA VAL 44 HA VAL 44 -9.327 -8.705 -12.420 283 HB VAL 44 HB VAL 44 -10.485 -10.793 -11.797 284 HG11 VAL 44 HG11 VAL 44 -11.862 -9.756 -9.877 285 HG12 VAL 44 HG12 VAL 44 -11.397 -8.195 -10.551 286 HG13 VAL 44 HG13 VAL 44 -10.159 -9.311 -9.975 287 HG21 VAL 44 HG21 VAL 44 -13.011 -10.659 -11.613 288 HG22 VAL 44 HG22 VAL 44 -12.392 -10.763 -13.260 289 HG23 VAL 44 HG23 VAL 44 -12.930 -9.215 -12.615 290 H GLU 45 HN GLU 45 -12.066 -9.171 -14.643 291 HA GLU 45 HA GLU 45 -11.081 -11.228 -16.199 292 HB2 GLU 45 HB2 GLU 45 -13.312 -10.318 -16.559 293 HB3 GLU 45 HB1 GLU 45 -12.629 -8.789 -17.116 294 HG2 GLU 45 HG2 GLU 45 -11.691 -9.810 -19.064 295 HG3 GLU 45 HG1 GLU 45 -12.007 -11.431 -18.448 296 H LYS 46 HN LYS 46 -10.423 -7.739 -16.555 297 HA LYS 46 HA LYS 46 -8.669 -8.067 -18.787 298 HB2 LYS 46 HB2 LYS 46 -9.783 -5.931 -18.349 299 HB3 LYS 46 HB1 LYS 46 -8.928 -5.784 -16.813 300 HG2 LYS 46 HG2 LYS 46 -6.793 -5.617 -17.928 301 HG3 LYS 46 HG1 LYS 46 -7.514 -6.031 -19.485 302 HD2 LYS 46 HD2 LYS 46 -8.774 -3.966 -19.524 303 HD3 LYS 46 HD1 LYS 46 -8.270 -3.575 -17.880 304 HE2 LYS 46 HE2 LYS 46 -6.942 -2.336 -19.578 305 HE3 LYS 46 HE1 LYS 46 -5.935 -3.409 -18.605 306 HZ1 LYS 46 HZ1 LYS 46 -7.088 -4.504 -21.053 307 HZ2 LYS 46 HZ2 LYS 46 -5.577 -4.802 -20.334 308 HZ3 LYS 46 HZ3 LYS 46 -5.830 -3.381 -21.230 309 H ALA 47 HN ALA 47 -8.236 -7.970 -15.295 310 HA ALA 47 HA ALA 47 -5.456 -7.660 -15.171 311 HB1 ALA 47 HB1 ALA 47 -5.615 -8.681 -12.948 312 HB2 ALA 47 HB2 ALA 47 -7.237 -9.261 -13.319 313 HB3 ALA 47 HB3 ALA 47 -6.927 -7.529 -13.197 314 H ALA 48 HN ALA 48 -7.373 -10.345 -16.187 315 HA ALA 48 HA ALA 48 -5.439 -12.401 -15.700 316 HB1 ALA 48 HB1 ALA 48 -6.893 -13.830 -16.908 317 HB2 ALA 48 HB2 ALA 48 -7.612 -12.481 -17.788 318 HB3 ALA 48 HB3 ALA 48 -7.952 -12.695 -16.071 319 H ARG 49 HN ARG 49 -6.284 -10.393 -18.502 320 HA ARG 49 HA ARG 49 -4.396 -11.674 -20.248 321 HB2 ARG 49 HB2 ARG 49 -5.991 -9.118 -20.444 322 HB3 ARG 49 HB1 ARG 49 -4.882 -9.646 -21.709 323 HG2 ARG 49 HG2 ARG 49 -7.162 -11.349 -20.640 324 HG3 ARG 49 HG1 ARG 49 -7.283 -10.352 -22.088 325 HD2 ARG 49 HD2 ARG 49 -6.642 -12.324 -23.098 326 HD3 ARG 49 HD1 ARG 49 -5.032 -11.730 -22.709 327 HE ARG 49 HE ARG 49 -6.195 -13.287 -20.580 328 HH11 ARG 49 HH21 ARG 49 -4.515 -13.360 -23.605 329 HH12 ARG 49 HH22 ARG 49 -3.779 -14.900 -23.317 330 HH21 ARG 49 HH11 ARG 49 -5.232 -15.309 -20.196 331 HH22 ARG 49 HH12 ARG 49 -4.185 -16.003 -21.387 332 H GLU 50 HN GLU 50 -4.371 -8.778 -18.218 333 HA GLU 50 HA GLU 50 -1.920 -7.732 -19.225 334 HB2 GLU 50 HB2 GLU 50 -3.457 -7.269 -16.666 335 HB3 GLU 50 HB1 GLU 50 -1.956 -6.422 -17.047 336 HG2 GLU 50 HG2 GLU 50 -4.289 -6.469 -18.972 337 HG3 GLU 50 HG1 GLU 50 -4.144 -5.238 -17.719 338 H VAL 51 HN VAL 51 -2.733 -9.799 -16.454 339 HA VAL 51 HA VAL 51 -0.016 -9.919 -15.514 340 HB VAL 51 HB VAL 51 -2.090 -10.234 -14.087 341 HG11 VAL 51 HG11 VAL 51 -3.228 -12.317 -14.097 342 HG12 VAL 51 HG12 VAL 51 -2.001 -13.076 -15.111 343 HG13 VAL 51 HG13 VAL 51 -3.094 -11.877 -15.796 344 HG21 VAL 51 HG21 VAL 51 -0.997 -11.883 -12.653 345 HG22 VAL 51 HG22 VAL 51 0.223 -10.829 -13.366 346 HG23 VAL 51 HG23 VAL 51 -0.023 -12.454 -14.007 347 H GLY 52 HN GLY 52 -1.857 -11.594 -17.893 348 HA2 GLY 52 HA2 GLY 52 -1.445 -13.474 -19.169 349 HA3 GLY 52 HA1 GLY 52 0.212 -12.877 -19.145 350 H TYR 53 HN TYR 53 -1.973 -14.429 -16.777 351 HA TYR 53 HA TYR 53 0.203 -15.910 -15.599 352 HB2 TYR 53 HB2 TYR 53 -1.671 -15.205 -14.201 353 HB3 TYR 53 HB1 TYR 53 -2.792 -16.139 -15.192 354 HD1 TYR 53 HD2 TYR 53 0.463 -16.621 -13.378 355 HD2 TYR 53 HD1 TYR 53 -3.363 -18.275 -14.422 356 HE1 TYR 53 HE2 TYR 53 0.962 -18.634 -12.020 357 HE2 TYR 53 HE1 TYR 53 -2.862 -20.289 -13.063 358 HH TYR 53 HH TYR 53 -0.709 -21.479 -12.269 359 H LEU 54 HN LEU 54 1.020 -17.751 -16.337 360 HA LEU 54 HA LEU 54 -0.721 -19.649 -17.777 361 HB2 LEU 54 HB2 LEU 54 1.883 -18.455 -18.710 362 HB3 LEU 54 HB1 LEU 54 1.370 -20.037 -19.287 363 HG LEU 54 HG LEU 54 -0.608 -17.765 -19.415 364 HD11 LEU 54 HD11 LEU 54 1.744 -18.157 -21.282 365 HD12 LEU 54 HD12 LEU 54 1.309 -16.697 -20.390 366 HD13 LEU 54 HD13 LEU 54 0.297 -17.249 -21.726 367 HD21 LEU 54 HD21 LEU 54 -1.263 -18.983 -21.496 368 HD22 LEU 54 HD22 LEU 54 -1.336 -20.015 -20.070 369 HD23 LEU 54 HD23 LEU 54 0.019 -20.153 -21.190 370 HA PRO 55 HA PRO 55 1.327 -22.550 -15.121 371 HB2 PRO 55 HB2 PRO 55 1.094 -24.874 -16.536 372 HB3 PRO 55 HB1 PRO 55 -0.299 -24.074 -15.775 373 HG2 PRO 55 HG2 PRO 55 0.600 -23.977 -18.630 374 HG3 PRO 55 HG1 PRO 55 -1.037 -24.179 -17.975 375 HD2 PRO 55 HD2 PRO 55 -0.120 -21.776 -18.885 376 HD3 PRO 55 HD1 PRO 55 -1.295 -21.903 -17.556 Start of MODEL 10 1 H ALA 9 HT1 ALA 9 5.396 -10.637 -14.932 2 HA ALA 9 HA ALA 9 4.427 -12.649 -14.927 3 HB1 ALA 9 HB1 ALA 9 6.767 -13.675 -14.838 4 HB2 ALA 9 HB2 ALA 9 5.476 -14.640 -14.122 5 HB3 ALA 9 HB3 ALA 9 6.572 -13.726 -13.086 6 H ALA 10 HN ALA 10 2.874 -11.384 -13.740 7 HA ALA 10 HA ALA 10 2.907 -11.634 -10.807 8 HB1 ALA 10 HB1 ALA 10 1.145 -10.069 -12.703 9 HB2 ALA 10 HB2 ALA 10 2.388 -9.427 -11.628 10 HB3 ALA 10 HB3 ALA 10 0.912 -10.120 -10.956 11 H THR 11 HN THR 11 2.020 -13.401 -9.976 12 HA THR 11 HA THR 11 0.326 -15.173 -11.389 13 HB THR 11 HB THR 11 -0.124 -16.086 -9.014 14 HG1 THR 11 HG1 THR 11 0.915 -15.142 -7.396 15 HG21 THR 11 HG21 THR 11 2.363 -16.772 -8.802 16 HG22 THR 11 HG22 THR 11 2.607 -15.840 -10.279 17 HG23 THR 11 HG23 THR 11 1.512 -17.224 -10.279 18 H MET 12 HN MET 12 -1.888 -15.662 -11.049 19 HA MET 12 HA MET 12 -3.650 -13.523 -11.143 20 HB2 MET 12 HB2 MET 12 -4.107 -15.931 -11.799 21 HB3 MET 12 HB1 MET 12 -4.376 -16.259 -10.087 22 HG2 MET 12 HG2 MET 12 -6.161 -14.584 -10.015 23 HG3 MET 12 HG1 MET 12 -5.862 -14.164 -11.701 24 HE1 MET 12 HE1 MET 12 -8.222 -14.307 -11.911 25 HE2 MET 12 HE2 MET 12 -8.914 -15.265 -10.605 26 HE3 MET 12 HE3 MET 12 -9.150 -15.769 -12.276 27 H LYS 13 HN LYS 13 -2.211 -15.079 -8.406 28 HA LYS 13 HA LYS 13 -4.096 -14.210 -6.442 29 HB2 LYS 13 HB2 LYS 13 -1.241 -15.182 -6.305 30 HB3 LYS 13 HB1 LYS 13 -2.124 -14.668 -4.867 31 HG2 LYS 13 HG2 LYS 13 -3.832 -16.345 -5.239 32 HG3 LYS 13 HG1 LYS 13 -3.124 -16.783 -6.792 33 HD2 LYS 13 HD2 LYS 13 -1.036 -17.465 -5.605 34 HD3 LYS 13 HD1 LYS 13 -1.839 -17.132 -4.070 35 HE2 LYS 13 HE2 LYS 13 -2.030 -19.509 -4.538 36 HE3 LYS 13 HE1 LYS 13 -3.623 -18.773 -4.711 37 HZ1 LYS 13 HZ1 LYS 13 -2.974 -20.312 -6.540 38 HZ2 LYS 13 HZ2 LYS 13 -1.766 -19.201 -6.983 39 HZ3 LYS 13 HZ3 LYS 13 -3.403 -18.753 -7.055 40 H ASP 14 HN ASP 14 -0.989 -12.934 -7.633 41 HA ASP 14 HA ASP 14 -0.708 -10.807 -5.872 42 HB2 ASP 14 HB2 ASP 14 0.127 -11.143 -8.751 43 HB3 ASP 14 HB1 ASP 14 0.573 -9.736 -7.788 44 H VAL 15 HN VAL 15 -2.598 -11.104 -8.833 45 HA VAL 15 HA VAL 15 -3.291 -8.423 -9.170 46 HB VAL 15 HB VAL 15 -4.731 -10.994 -9.846 47 HG11 VAL 15 HG11 VAL 15 -5.499 -8.129 -10.435 48 HG12 VAL 15 HG12 VAL 15 -6.491 -9.388 -9.701 49 HG13 VAL 15 HG13 VAL 15 -6.070 -9.480 -11.412 50 HG21 VAL 15 HG21 VAL 15 -2.672 -10.617 -11.081 51 HG22 VAL 15 HG22 VAL 15 -3.150 -8.958 -11.445 52 HG23 VAL 15 HG23 VAL 15 -4.034 -10.306 -12.157 53 H ALA 16 HN ALA 16 -4.941 -11.003 -7.357 54 HA ALA 16 HA ALA 16 -7.153 -9.591 -6.453 55 HB1 ALA 16 HB1 ALA 16 -6.912 -11.990 -6.086 56 HB2 ALA 16 HB2 ALA 16 -7.178 -11.173 -4.545 57 HB3 ALA 16 HB3 ALA 16 -5.558 -11.709 -4.991 58 H LEU 17 HN LEU 17 -3.835 -9.433 -5.400 59 HA LEU 17 HA LEU 17 -4.273 -8.136 -2.913 60 HB2 LEU 17 HB2 LEU 17 -2.125 -9.289 -3.944 61 HB3 LEU 17 HB1 LEU 17 -1.788 -7.668 -4.538 62 HG LEU 17 HG LEU 17 -0.671 -7.948 -2.432 63 HD11 LEU 17 HD11 LEU 17 -1.448 -6.033 -1.286 64 HD12 LEU 17 HD12 LEU 17 -3.122 -6.336 -1.740 65 HD13 LEU 17 HD13 LEU 17 -1.966 -5.782 -2.952 66 HD21 LEU 17 HD21 LEU 17 -1.578 -8.864 -0.494 67 HD22 LEU 17 HD22 LEU 17 -2.495 -9.762 -1.697 68 HD23 LEU 17 HD23 LEU 17 -3.222 -8.373 -0.891 69 H LYS 18 HN LYS 18 -3.395 -6.861 -6.130 70 HA LYS 18 HA LYS 18 -3.614 -4.121 -5.275 71 HB2 LYS 18 HB2 LYS 18 -3.454 -5.329 -8.045 72 HB3 LYS 18 HB1 LYS 18 -3.322 -3.609 -7.678 73 HG2 LYS 18 HG2 LYS 18 -1.332 -4.000 -6.325 74 HG3 LYS 18 HG1 LYS 18 -1.495 -5.745 -6.533 75 HD2 LYS 18 HD2 LYS 18 -1.176 -5.495 -8.964 76 HD3 LYS 18 HD1 LYS 18 -1.025 -3.747 -8.767 77 HE2 LYS 18 HE2 LYS 18 1.201 -4.777 -8.907 78 HE3 LYS 18 HE1 LYS 18 0.943 -4.099 -7.300 79 HZ1 LYS 18 HZ1 LYS 18 0.397 -6.264 -6.465 80 HZ2 LYS 18 HZ2 LYS 18 1.898 -6.349 -7.258 81 HZ3 LYS 18 HZ3 LYS 18 0.497 -6.944 -8.016 82 H ALA 19 HN ALA 19 -5.594 -6.256 -7.322 83 HA ALA 19 HA ALA 19 -7.646 -4.319 -7.755 84 HB1 ALA 19 HB1 ALA 19 -8.955 -6.487 -8.412 85 HB2 ALA 19 HB2 ALA 19 -7.391 -7.277 -8.212 86 HB3 ALA 19 HB3 ALA 19 -7.579 -5.985 -9.393 87 H LYS 20 HN LYS 20 -6.768 -5.960 -5.015 88 HA LYS 20 HA LYS 20 -7.844 -6.587 -3.062 89 HB2 LYS 20 HB2 LYS 20 -7.896 -4.014 -3.197 90 HB3 LYS 20 HB1 LYS 20 -9.598 -4.194 -3.623 91 HG2 LYS 20 HG2 LYS 20 -9.814 -5.653 -1.512 92 HG3 LYS 20 HG1 LYS 20 -8.225 -5.036 -1.054 93 HD2 LYS 20 HD2 LYS 20 -9.057 -2.737 -1.152 94 HD3 LYS 20 HD1 LYS 20 -10.633 -3.308 -1.699 95 HE2 LYS 20 HE2 LYS 20 -10.968 -4.511 0.398 96 HE3 LYS 20 HE1 LYS 20 -9.353 -4.061 0.943 97 HZ1 LYS 20 HZ1 LYS 20 -10.084 -2.088 1.603 98 HZ2 LYS 20 HZ2 LYS 20 -11.668 -2.646 1.341 99 HZ3 LYS 20 HZ3 LYS 20 -10.855 -1.787 0.121 100 H VAL 21 HN VAL 21 -8.799 -8.114 -5.100 101 HA VAL 21 HA VAL 21 -11.628 -8.015 -5.411 102 HB VAL 21 HB VAL 21 -9.839 -10.431 -5.747 103 HG11 VAL 21 HG11 VAL 21 -12.410 -10.639 -5.777 104 HG12 VAL 21 HG12 VAL 21 -11.543 -11.265 -7.176 105 HG13 VAL 21 HG13 VAL 21 -12.348 -9.701 -7.267 106 HG21 VAL 21 HG21 VAL 21 -10.588 -8.380 -7.846 107 HG22 VAL 21 HG22 VAL 21 -9.452 -9.716 -8.012 108 HG23 VAL 21 HG23 VAL 21 -9.055 -8.347 -6.978 109 H SER 22 HN SER 22 -9.917 -10.759 -3.987 110 HA SER 22 HA SER 22 -10.731 -10.710 -1.383 111 HB2 SER 22 HB2 SER 22 -12.986 -11.392 -3.202 112 HB3 SER 22 HB1 SER 22 -12.838 -12.353 -1.735 113 HG SER 22 HG SER 22 -14.041 -10.199 -1.763 114 H THR 23 HN THR 23 -9.853 -12.424 -0.365 115 HA THR 23 HA THR 23 -8.298 -14.301 -1.729 116 HB THR 23 HB THR 23 -9.465 -14.615 1.045 117 HG1 THR 23 HG1 THR 23 -6.934 -13.559 0.503 118 HG21 THR 23 HG21 THR 23 -7.400 -15.918 1.429 119 HG22 THR 23 HG22 THR 23 -6.942 -15.680 -0.258 120 HG23 THR 23 HG23 THR 23 -8.376 -16.628 0.142 121 H ALA 24 HN ALA 24 -11.677 -14.364 -0.829 122 HA ALA 24 HA ALA 24 -11.999 -17.201 -1.256 123 HB1 ALA 24 HB1 ALA 24 -14.449 -16.614 -1.110 124 HB2 ALA 24 HB2 ALA 24 -13.962 -14.935 -0.879 125 HB3 ALA 24 HB3 ALA 24 -13.493 -16.160 0.300 126 H THR 25 HN THR 25 -12.674 -14.239 -3.054 127 HA THR 25 HA THR 25 -14.065 -15.371 -5.221 128 HB THR 25 HB THR 25 -13.122 -13.383 -6.523 129 HG1 THR 25 HG1 THR 25 -11.296 -12.848 -5.543 130 HG21 THR 25 HG21 THR 25 -15.271 -13.199 -5.461 131 HG22 THR 25 HG22 THR 25 -14.371 -11.737 -5.064 132 HG23 THR 25 HG23 THR 25 -14.533 -13.025 -3.870 133 H VAL 26 HN VAL 26 -10.636 -14.363 -5.258 134 HA VAL 26 HA VAL 26 -9.884 -15.641 -7.581 135 HB VAL 26 HB VAL 26 -8.532 -14.042 -6.118 136 HG11 VAL 26 HG11 VAL 26 -7.170 -14.922 -4.379 137 HG12 VAL 26 HG12 VAL 26 -7.535 -16.588 -4.828 138 HG13 VAL 26 HG13 VAL 26 -8.775 -15.586 -4.075 139 HG21 VAL 26 HG21 VAL 26 -7.627 -15.110 -8.147 140 HG22 VAL 26 HG22 VAL 26 -7.188 -16.536 -7.206 141 HG23 VAL 26 HG23 VAL 26 -6.385 -14.996 -6.899 142 H SER 27 HN SER 27 -10.286 -17.000 -4.367 143 HA SER 27 HA SER 27 -9.066 -19.529 -5.024 144 HB2 SER 27 HB2 SER 27 -9.039 -18.759 -2.722 145 HB3 SER 27 HB1 SER 27 -10.798 -18.673 -2.694 146 HG SER 27 HG SER 27 -10.147 -21.084 -3.536 147 H ARG 28 HN ARG 28 -12.338 -18.218 -4.936 148 HA ARG 28 HA ARG 28 -13.568 -20.799 -5.471 149 HB2 ARG 28 HB2 ARG 28 -14.677 -17.985 -5.355 150 HB3 ARG 28 HB1 ARG 28 -15.657 -19.416 -5.664 151 HG2 ARG 28 HG2 ARG 28 -13.867 -19.362 -3.238 152 HG3 ARG 28 HG1 ARG 28 -15.398 -18.491 -3.194 153 HD2 ARG 28 HD2 ARG 28 -16.572 -20.590 -3.859 154 HD3 ARG 28 HD1 ARG 28 -15.035 -21.443 -3.787 155 HE ARG 28 HE ARG 28 -15.499 -20.097 -1.334 156 HH11 ARG 28 HH21 ARG 28 -16.577 -22.763 -3.261 157 HH12 ARG 28 HH22 ARG 28 -17.089 -23.712 -1.907 158 HH21 ARG 28 HH11 ARG 28 -16.171 -21.338 0.447 159 HH22 ARG 28 HH12 ARG 28 -16.860 -22.907 0.193 160 H ALA 29 HN ALA 29 -12.226 -18.179 -7.214 161 HA ALA 29 HA ALA 29 -13.657 -18.166 -9.595 162 HB1 ALA 29 HB1 ALA 29 -11.912 -16.530 -9.112 163 HB2 ALA 29 HB2 ALA 29 -11.574 -17.341 -10.642 164 HB3 ALA 29 HB3 ALA 29 -10.682 -17.792 -9.189 165 H LEU 30 HN LEU 30 -11.653 -20.653 -8.309 166 HA LEU 30 HA LEU 30 -11.177 -21.910 -10.910 167 HB2 LEU 30 HB2 LEU 30 -10.356 -22.529 -8.074 168 HB3 LEU 30 HB1 LEU 30 -10.185 -23.738 -9.345 169 HG LEU 30 HG LEU 30 -8.824 -22.169 -10.672 170 HD11 LEU 30 HD11 LEU 30 -9.664 -20.030 -10.040 171 HD12 LEU 30 HD12 LEU 30 -8.014 -20.082 -9.422 172 HD13 LEU 30 HD13 LEU 30 -9.372 -20.337 -8.328 173 HD21 LEU 30 HD21 LEU 30 -7.982 -22.665 -7.808 174 HD22 LEU 30 HD22 LEU 30 -6.882 -22.006 -9.016 175 HD23 LEU 30 HD23 LEU 30 -7.570 -23.614 -9.236 176 H MET 31 HN MET 31 -13.697 -21.760 -8.728 177 HA MET 31 HA MET 31 -14.744 -24.414 -9.566 178 HB2 MET 31 HB2 MET 31 -15.333 -22.901 -7.009 179 HB3 MET 31 HB1 MET 31 -15.995 -24.470 -7.467 180 HG2 MET 31 HG2 MET 31 -13.022 -23.955 -7.243 181 HG3 MET 31 HG1 MET 31 -13.993 -24.545 -5.893 182 HE1 MET 31 HE1 MET 31 -11.406 -26.271 -7.778 183 HE2 MET 31 HE2 MET 31 -12.040 -27.613 -6.830 184 HE3 MET 31 HE3 MET 31 -11.946 -26.007 -6.114 185 H ASN 32 HN ASN 32 -15.529 -21.034 -8.834 186 HA ASN 32 HA ASN 32 -17.686 -21.103 -10.793 187 HB2 ASN 32 HB2 ASN 32 -18.659 -21.837 -8.567 188 HB3 ASN 32 HB1 ASN 32 -18.291 -20.218 -7.973 189 HD21 ASN 32 HD21 ASN 32 -20.121 -18.919 -8.076 190 HD22 ASN 32 HD22 ASN 32 -21.279 -18.962 -9.316 191 HA PRO 33 HA PRO 33 -15.517 -17.040 -10.486 192 HB2 PRO 33 HB2 PRO 33 -14.731 -16.803 -13.066 193 HB3 PRO 33 HB1 PRO 33 -13.836 -17.801 -11.903 194 HG2 PRO 33 HG2 PRO 33 -15.746 -18.638 -14.035 195 HG3 PRO 33 HG1 PRO 33 -14.248 -19.416 -13.495 196 HD2 PRO 33 HD2 PRO 33 -16.818 -20.193 -12.712 197 HD3 PRO 33 HD1 PRO 33 -15.328 -20.600 -11.831 198 H ASP 34 HN ASP 34 -17.867 -16.491 -10.124 199 HA ASP 34 HA ASP 34 -18.778 -14.708 -12.213 200 HB2 ASP 34 HB2 ASP 34 -20.556 -17.001 -11.347 201 HB3 ASP 34 HB1 ASP 34 -20.999 -15.696 -12.446 202 H LYS 35 HN LYS 35 -17.890 -14.632 -9.393 203 HA LYS 35 HA LYS 35 -20.316 -13.429 -8.162 204 HB2 LYS 35 HB2 LYS 35 -17.991 -14.847 -6.837 205 HB3 LYS 35 HB1 LYS 35 -19.256 -13.973 -5.973 206 HG2 LYS 35 HG2 LYS 35 -20.944 -15.484 -6.696 207 HG3 LYS 35 HG1 LYS 35 -19.898 -16.182 -7.932 208 HD2 LYS 35 HD2 LYS 35 -20.084 -17.690 -5.987 209 HD3 LYS 35 HD1 LYS 35 -18.431 -17.105 -6.174 210 HE2 LYS 35 HE2 LYS 35 -18.648 -15.575 -4.375 211 HE3 LYS 35 HE1 LYS 35 -20.407 -15.695 -4.377 212 HZ1 LYS 35 HZ1 LYS 35 -20.337 -17.823 -3.462 213 HZ2 LYS 35 HZ2 LYS 35 -19.151 -16.967 -2.594 214 HZ3 LYS 35 HZ3 LYS 35 -18.695 -18.040 -3.829 215 H VAL 36 HN VAL 36 -17.299 -12.828 -9.479 216 HA VAL 36 HA VAL 36 -16.293 -10.820 -7.752 217 HB VAL 36 HB VAL 36 -15.906 -11.051 -10.742 218 HG11 VAL 36 HG11 VAL 36 -13.654 -10.044 -10.079 219 HG12 VAL 36 HG12 VAL 36 -14.376 -9.708 -8.506 220 HG13 VAL 36 HG13 VAL 36 -15.045 -8.967 -9.960 221 HG21 VAL 36 HG21 VAL 36 -14.418 -12.365 -8.448 222 HG22 VAL 36 HG22 VAL 36 -13.897 -12.395 -10.132 223 HG23 VAL 36 HG23 VAL 36 -15.399 -13.189 -9.659 224 H SER 37 HN SER 37 -16.802 -8.712 -7.545 225 HA SER 37 HA SER 37 -19.217 -7.652 -8.345 226 HB2 SER 37 HB2 SER 37 -16.803 -5.890 -7.987 227 HB3 SER 37 HB1 SER 37 -18.474 -5.580 -7.524 228 HG SER 37 HG SER 37 -16.579 -7.320 -6.354 229 H GLN 38 HN GLN 38 -19.955 -6.487 -10.069 230 HA GLN 38 HA GLN 38 -19.033 -6.949 -12.611 231 HB2 GLN 38 HB2 GLN 38 -20.641 -4.665 -11.471 232 HB3 GLN 38 HB1 GLN 38 -20.263 -4.744 -13.192 233 HG2 GLN 38 HG2 GLN 38 -21.462 -6.769 -13.482 234 HG3 GLN 38 HG1 GLN 38 -21.509 -7.089 -11.749 235 HE21 GLN 38 HE21 GLN 38 -23.819 -6.834 -13.646 236 HE22 GLN 38 HE22 GLN 38 -24.777 -5.577 -13.024 237 H ALA 39 HN ALA 39 -18.415 -3.997 -10.701 238 HA ALA 39 HA ALA 39 -16.720 -2.753 -12.553 239 HB1 ALA 39 HB1 ALA 39 -15.810 -1.493 -10.619 240 HB2 ALA 39 HB2 ALA 39 -16.589 -2.631 -9.520 241 HB3 ALA 39 HB3 ALA 39 -17.571 -1.587 -10.550 242 H THR 40 HN THR 40 -15.888 -4.822 -9.783 243 HA THR 40 HA THR 40 -13.119 -4.956 -10.320 244 HB THR 40 HB THR 40 -14.896 -6.914 -8.849 245 HG1 THR 40 HG1 THR 40 -13.689 -4.481 -8.225 246 HG21 THR 40 HG21 THR 40 -12.724 -7.430 -7.659 247 HG22 THR 40 HG22 THR 40 -11.896 -6.509 -8.913 248 HG23 THR 40 HG23 THR 40 -12.788 -7.968 -9.337 249 H ARG 41 HN ARG 41 -15.837 -6.553 -11.727 250 HA ARG 41 HA ARG 41 -14.467 -8.871 -12.709 251 HB2 ARG 41 HB2 ARG 41 -17.053 -8.405 -12.471 252 HB3 ARG 41 HB1 ARG 41 -16.892 -7.730 -14.088 253 HG2 ARG 41 HG2 ARG 41 -16.022 -10.525 -13.276 254 HG3 ARG 41 HG1 ARG 41 -17.527 -10.141 -14.104 255 HD2 ARG 41 HD2 ARG 41 -15.866 -8.932 -15.816 256 HD3 ARG 41 HD1 ARG 41 -14.728 -10.105 -15.156 257 HE ARG 41 HE ARG 41 -15.865 -11.758 -16.306 258 HH11 ARG 41 HH21 ARG 41 -17.816 -8.919 -15.983 259 HH12 ARG 41 HH22 ARG 41 -19.092 -9.512 -16.995 260 HH21 ARG 41 HH11 ARG 41 -17.533 -12.543 -17.634 261 HH22 ARG 41 HH12 ARG 41 -18.930 -11.564 -17.930 262 H ASN 42 HN ASN 42 -15.337 -5.724 -14.125 263 HA ASN 42 HA ASN 42 -14.226 -6.262 -16.683 264 HB2 ASN 42 HB2 ASN 42 -15.890 -4.467 -16.232 265 HB3 ASN 42 HB1 ASN 42 -14.645 -3.576 -15.359 266 HD21 ASN 42 HD21 ASN 42 -14.334 -5.450 -18.414 267 HD22 ASN 42 HD22 ASN 42 -13.812 -4.127 -19.343 268 H ARG 43 HN ARG 43 -12.923 -4.890 -13.720 269 HA ARG 43 HA ARG 43 -10.475 -3.957 -14.830 270 HB2 ARG 43 HB2 ARG 43 -11.247 -4.700 -12.000 271 HB3 ARG 43 HB1 ARG 43 -9.705 -3.962 -12.438 272 HG2 ARG 43 HG2 ARG 43 -10.966 -2.067 -13.481 273 HG3 ARG 43 HG1 ARG 43 -12.461 -2.781 -12.879 274 HD2 ARG 43 HD2 ARG 43 -10.130 -1.773 -11.233 275 HD3 ARG 43 HD1 ARG 43 -11.757 -1.100 -11.293 276 HE ARG 43 HE ARG 43 -11.676 -3.866 -10.450 277 HH11 ARG 43 HH21 ARG 43 -11.432 -0.542 -9.518 278 HH12 ARG 43 HH22 ARG 43 -11.899 -0.826 -7.874 279 HH21 ARG 43 HH11 ARG 43 -12.289 -4.247 -8.297 280 HH22 ARG 43 HH12 ARG 43 -12.384 -2.923 -7.183 281 H VAL 44 HN VAL 44 -11.523 -7.033 -13.480 282 HA VAL 44 HA VAL 44 -8.942 -8.217 -13.306 283 HB VAL 44 HB VAL 44 -11.751 -9.320 -13.415 284 HG11 VAL 44 HG11 VAL 44 -9.124 -10.820 -13.397 285 HG12 VAL 44 HG12 VAL 44 -10.500 -11.052 -14.473 286 HG13 VAL 44 HG13 VAL 44 -10.615 -11.529 -12.779 287 HG21 VAL 44 HG21 VAL 44 -11.433 -9.732 -11.105 288 HG22 VAL 44 HG22 VAL 44 -10.686 -8.155 -11.357 289 HG23 VAL 44 HG23 VAL 44 -9.679 -9.594 -11.231 290 H GLU 45 HN GLU 45 -11.500 -8.284 -15.767 291 HA GLU 45 HA GLU 45 -10.397 -10.035 -17.591 292 HB2 GLU 45 HB2 GLU 45 -12.625 -9.102 -17.897 293 HB3 GLU 45 HB1 GLU 45 -11.945 -7.495 -18.160 294 HG2 GLU 45 HG2 GLU 45 -10.902 -8.169 -20.204 295 HG3 GLU 45 HG1 GLU 45 -11.218 -9.873 -19.881 296 H LYS 46 HN LYS 46 -9.928 -6.467 -17.593 297 HA LYS 46 HA LYS 46 -7.940 -6.601 -19.645 298 HB2 LYS 46 HB2 LYS 46 -7.784 -4.270 -19.454 299 HB3 LYS 46 HB1 LYS 46 -9.454 -4.608 -19.004 300 HG2 LYS 46 HG2 LYS 46 -8.620 -4.668 -16.569 301 HG3 LYS 46 HG1 LYS 46 -7.130 -3.951 -17.177 302 HD2 LYS 46 HD2 LYS 46 -8.530 -2.126 -18.217 303 HD3 LYS 46 HD1 LYS 46 -9.923 -2.794 -17.367 304 HE2 LYS 46 HE2 LYS 46 -9.066 -1.050 -15.967 305 HE3 LYS 46 HE1 LYS 46 -8.566 -2.567 -15.222 306 HZ1 LYS 46 HZ1 LYS 46 -6.404 -2.340 -16.091 307 HZ2 LYS 46 HZ2 LYS 46 -6.798 -0.824 -15.433 308 HZ3 LYS 46 HZ3 LYS 46 -6.853 -1.066 -17.115 309 H ALA 47 HN ALA 47 -7.837 -6.456 -16.126 310 HA ALA 47 HA ALA 47 -5.012 -6.074 -15.939 311 HB1 ALA 47 HB1 ALA 47 -6.935 -7.161 -13.874 312 HB2 ALA 47 HB2 ALA 47 -6.576 -5.454 -14.126 313 HB3 ALA 47 HB3 ALA 47 -5.312 -6.549 -13.566 314 H ALA 48 HN ALA 48 -7.039 -8.819 -16.457 315 HA ALA 48 HA ALA 48 -5.225 -10.801 -15.451 316 HB1 ALA 48 HB1 ALA 48 -6.663 -12.372 -16.794 317 HB2 ALA 48 HB2 ALA 48 -7.579 -10.967 -17.340 318 HB3 ALA 48 HB3 ALA 48 -7.545 -11.388 -15.627 319 H ARG 49 HN ARG 49 -5.930 -9.463 -18.668 320 HA ARG 49 HA ARG 49 -4.133 -11.151 -20.079 321 HB2 ARG 49 HB2 ARG 49 -6.040 -9.757 -21.051 322 HB3 ARG 49 HB1 ARG 49 -4.963 -8.368 -20.908 323 HG2 ARG 49 HG2 ARG 49 -4.472 -9.048 -23.089 324 HG3 ARG 49 HG1 ARG 49 -3.250 -9.950 -22.194 325 HD2 ARG 49 HD2 ARG 49 -4.693 -11.938 -22.191 326 HD3 ARG 49 HD1 ARG 49 -5.962 -11.038 -23.015 327 HE ARG 49 HE ARG 49 -3.601 -10.887 -24.552 328 HH11 ARG 49 HH21 ARG 49 -5.994 -13.144 -23.480 329 HH12 ARG 49 HH22 ARG 49 -5.840 -14.175 -24.862 330 HH21 ARG 49 HH11 ARG 49 -3.391 -12.237 -26.367 331 HH22 ARG 49 HH12 ARG 49 -4.365 -13.663 -26.496 332 H GLU 50 HN GLU 50 -3.785 -8.054 -18.449 333 HA GLU 50 HA GLU 50 -1.283 -7.291 -19.479 334 HB2 GLU 50 HB2 GLU 50 -2.673 -6.734 -16.857 335 HB3 GLU 50 HB1 GLU 50 -1.087 -6.057 -17.237 336 HG2 GLU 50 HG2 GLU 50 -3.429 -5.762 -19.130 337 HG3 GLU 50 HG1 GLU 50 -3.136 -4.606 -17.831 338 H VAL 51 HN VAL 51 -2.091 -9.162 -16.551 339 HA VAL 51 HA VAL 51 0.672 -9.666 -15.921 340 HB VAL 51 HB VAL 51 -0.251 -11.198 -14.211 341 HG11 VAL 51 HG11 VAL 51 -0.157 -8.618 -13.993 342 HG12 VAL 51 HG12 VAL 51 -1.172 -9.497 -12.849 343 HG13 VAL 51 HG13 VAL 51 -1.905 -8.669 -14.225 344 HG21 VAL 51 HG21 VAL 51 -2.714 -11.362 -13.981 345 HG22 VAL 51 HG22 VAL 51 -2.161 -12.055 -15.505 346 HG23 VAL 51 HG23 VAL 51 -2.903 -10.456 -15.481 347 H GLY 52 HN GLY 52 -1.426 -10.911 -18.218 348 HA2 GLY 52 HA2 GLY 52 -1.429 -12.804 -19.534 349 HA3 GLY 52 HA1 GLY 52 0.317 -12.742 -19.324 350 H TYR 53 HN TYR 53 -2.425 -13.486 -17.165 351 HA TYR 53 HA TYR 53 -0.940 -15.642 -15.920 352 HB2 TYR 53 HB2 TYR 53 -2.475 -14.201 -14.609 353 HB3 TYR 53 HB1 TYR 53 -3.834 -14.825 -15.545 354 HD1 TYR 53 HD2 TYR 53 -0.929 -15.998 -13.484 355 HD2 TYR 53 HD1 TYR 53 -4.947 -16.757 -14.805 356 HE1 TYR 53 HE2 TYR 53 -1.055 -17.963 -11.977 357 HE2 TYR 53 HE1 TYR 53 -5.071 -18.722 -13.298 358 HH TYR 53 HH TYR 53 -3.782 -20.176 -12.066 359 H LEU 54 HN LEU 54 -1.100 -17.771 -16.327 360 HA LEU 54 HA LEU 54 -3.272 -18.752 -18.068 361 HB2 LEU 54 HB2 LEU 54 -0.298 -19.062 -18.457 362 HB3 LEU 54 HB1 LEU 54 -1.430 -20.219 -19.152 363 HG LEU 54 HG LEU 54 -1.928 -17.282 -19.616 364 HD11 LEU 54 HD11 LEU 54 0.150 -18.950 -21.062 365 HD12 LEU 54 HD12 LEU 54 0.427 -17.460 -20.162 366 HD13 LEU 54 HD13 LEU 54 -0.488 -17.422 -21.669 367 HD21 LEU 54 HD21 LEU 54 -2.305 -19.803 -21.273 368 HD22 LEU 54 HD22 LEU 54 -2.728 -18.179 -21.811 369 HD23 LEU 54 HD23 LEU 54 -3.572 -18.901 -20.445 370 HA PRO 55 HA PRO 55 -3.365 -21.994 -15.044 371 HB2 PRO 55 HB2 PRO 55 -4.469 -24.051 -16.457 372 HB3 PRO 55 HB1 PRO 55 -5.397 -22.612 -15.985 373 HG2 PRO 55 HG2 PRO 55 -4.109 -23.246 -18.614 374 HG3 PRO 55 HG1 PRO 55 -5.720 -22.575 -18.286 375 HD2 PRO 55 HD2 PRO 55 -3.613 -21.004 -19.020 376 HD3 PRO 55 HD1 PRO 55 -4.901 -20.423 -17.942 Start of MODEL 11 1 H ALA 9 HT1 ALA 9 8.071 -11.641 -13.619 2 HA ALA 9 HA ALA 9 6.248 -12.832 -13.983 3 HB1 ALA 9 HB1 ALA 9 7.936 -14.734 -12.351 4 HB2 ALA 9 HB2 ALA 9 7.757 -14.666 -14.105 5 HB3 ALA 9 HB3 ALA 9 6.423 -15.240 -13.104 6 H ALA 10 HN ALA 10 4.351 -12.205 -13.170 7 HA ALA 10 HA ALA 10 3.845 -12.425 -10.265 8 HB1 ALA 10 HB1 ALA 10 3.395 -10.227 -11.020 9 HB2 ALA 10 HB2 ALA 10 1.812 -10.994 -10.899 10 HB3 ALA 10 HB3 ALA 10 2.582 -10.803 -12.474 11 H THR 11 HN THR 11 1.188 -12.610 -10.098 12 HA THR 11 HA THR 11 0.250 -14.847 -11.751 13 HB THR 11 HB THR 11 -0.483 -15.980 -9.551 14 HG1 THR 11 HG1 THR 11 1.509 -15.273 -8.080 15 HG21 THR 11 HG21 THR 11 1.772 -17.050 -9.266 16 HG22 THR 11 HG22 THR 11 2.433 -15.837 -10.361 17 HG23 THR 11 HG23 THR 11 1.227 -16.985 -10.941 18 H MET 12 HN MET 12 -2.031 -15.140 -11.657 19 HA MET 12 HA MET 12 -3.556 -12.818 -11.566 20 HB2 MET 12 HB2 MET 12 -4.036 -15.668 -11.911 21 HB3 MET 12 HB1 MET 12 -5.334 -14.961 -10.956 22 HG2 MET 12 HG2 MET 12 -5.765 -13.301 -12.683 23 HG3 MET 12 HG1 MET 12 -4.370 -13.849 -13.610 24 HE1 MET 12 HE1 MET 12 -8.316 -15.946 -12.789 25 HE2 MET 12 HE2 MET 12 -8.277 -14.288 -13.384 26 HE3 MET 12 HE3 MET 12 -7.483 -14.690 -11.864 27 H LYS 13 HN LYS 13 -2.553 -14.928 -9.003 28 HA LYS 13 HA LYS 13 -4.477 -14.089 -7.064 29 HB2 LYS 13 HB2 LYS 13 -3.052 -16.209 -7.011 30 HB3 LYS 13 HB1 LYS 13 -1.724 -15.178 -6.477 31 HG2 LYS 13 HG2 LYS 13 -3.307 -14.335 -4.651 32 HG3 LYS 13 HG1 LYS 13 -4.360 -15.680 -5.087 33 HD2 LYS 13 HD2 LYS 13 -1.487 -15.874 -4.136 34 HD3 LYS 13 HD1 LYS 13 -2.924 -16.371 -3.244 35 HE2 LYS 13 HE2 LYS 13 -3.402 -17.920 -5.267 36 HE3 LYS 13 HE1 LYS 13 -1.719 -17.630 -5.707 37 HZ1 LYS 13 HZ1 LYS 13 -1.985 -18.240 -2.942 38 HZ2 LYS 13 HZ2 LYS 13 -1.031 -18.999 -4.126 39 HZ3 LYS 13 HZ3 LYS 13 -2.648 -19.472 -3.900 40 H ASP 14 HN ASP 14 -1.184 -13.065 -7.911 41 HA ASP 14 HA ASP 14 -0.842 -11.260 -5.774 42 HB2 ASP 14 HB2 ASP 14 0.387 -11.423 -8.525 43 HB3 ASP 14 HB1 ASP 14 0.866 -10.210 -7.339 44 H VAL 15 HN VAL 15 -2.376 -10.968 -8.933 45 HA VAL 15 HA VAL 15 -2.583 -8.158 -9.005 46 HB VAL 15 HB VAL 15 -4.204 -10.371 -10.277 47 HG11 VAL 15 HG11 VAL 15 -5.003 -8.495 -11.809 48 HG12 VAL 15 HG12 VAL 15 -4.428 -7.368 -10.581 49 HG13 VAL 15 HG13 VAL 15 -5.710 -8.516 -10.194 50 HG21 VAL 15 HG21 VAL 15 -1.750 -9.918 -10.895 51 HG22 VAL 15 HG22 VAL 15 -2.316 -8.383 -11.554 52 HG23 VAL 15 HG23 VAL 15 -2.912 -9.902 -12.221 53 H ALA 16 HN ALA 16 -4.684 -10.677 -7.657 54 HA ALA 16 HA ALA 16 -6.934 -9.167 -7.051 55 HB1 ALA 16 HB1 ALA 16 -5.673 -11.382 -5.413 56 HB2 ALA 16 HB2 ALA 16 -6.866 -11.585 -6.697 57 HB3 ALA 16 HB3 ALA 16 -7.313 -10.772 -5.197 58 H LEU 17 HN LEU 17 -3.921 -9.528 -5.244 59 HA LEU 17 HA LEU 17 -4.634 -8.054 -2.961 60 HB2 LEU 17 HB2 LEU 17 -2.427 -9.432 -3.614 61 HB3 LEU 17 HB1 LEU 17 -1.829 -7.825 -4.015 62 HG LEU 17 HG LEU 17 -2.915 -8.760 -1.337 63 HD11 LEU 17 HD11 LEU 17 -0.190 -7.674 -2.123 64 HD12 LEU 17 HD12 LEU 17 -0.561 -9.389 -1.936 65 HD13 LEU 17 HD13 LEU 17 -0.657 -8.309 -0.545 66 HD21 LEU 17 HD21 LEU 17 -2.260 -6.001 -2.397 67 HD22 LEU 17 HD22 LEU 17 -2.116 -6.358 -0.677 68 HD23 LEU 17 HD23 LEU 17 -3.676 -6.518 -1.479 69 H LYS 18 HN LYS 18 -3.362 -7.024 -6.097 70 HA LYS 18 HA LYS 18 -3.028 -4.279 -5.428 71 HB2 LYS 18 HB2 LYS 18 -2.013 -5.508 -7.407 72 HB3 LYS 18 HB1 LYS 18 -3.593 -5.381 -8.183 73 HG2 LYS 18 HG2 LYS 18 -3.447 -2.854 -7.672 74 HG3 LYS 18 HG1 LYS 18 -1.737 -3.142 -7.353 75 HD2 LYS 18 HD2 LYS 18 -3.186 -3.803 -9.935 76 HD3 LYS 18 HD1 LYS 18 -2.089 -2.443 -9.693 77 HE2 LYS 18 HE2 LYS 18 -1.430 -5.395 -9.670 78 HE3 LYS 18 HE1 LYS 18 -0.768 -4.140 -10.716 79 HZ1 LYS 18 HZ1 LYS 18 -0.177 -3.197 -8.276 80 HZ2 LYS 18 HZ2 LYS 18 0.886 -4.113 -9.234 81 HZ3 LYS 18 HZ3 LYS 18 -0.033 -4.868 -8.021 82 H ALA 19 HN ALA 19 -5.725 -6.162 -6.706 83 HA ALA 19 HA ALA 19 -7.402 -3.742 -6.894 84 HB1 ALA 19 HB1 ALA 19 -9.070 -5.559 -7.794 85 HB2 ALA 19 HB2 ALA 19 -7.618 -6.548 -7.947 86 HB3 ALA 19 HB3 ALA 19 -7.737 -5.022 -8.818 87 H LYS 20 HN LYS 20 -6.468 -5.691 -4.520 88 HA LYS 20 HA LYS 20 -7.393 -6.541 -2.563 89 HB2 LYS 20 HB2 LYS 20 -8.779 -3.884 -2.954 90 HB3 LYS 20 HB1 LYS 20 -8.931 -4.836 -1.475 91 HG2 LYS 20 HG2 LYS 20 -6.604 -4.646 -0.984 92 HG3 LYS 20 HG1 LYS 20 -6.224 -4.103 -2.619 93 HD2 LYS 20 HD2 LYS 20 -7.369 -2.002 -2.253 94 HD3 LYS 20 HD1 LYS 20 -7.951 -2.545 -0.679 95 HE2 LYS 20 HE2 LYS 20 -5.545 -2.789 0.038 96 HE3 LYS 20 HE1 LYS 20 -5.075 -2.024 -1.479 97 HZ1 LYS 20 HZ1 LYS 20 -6.301 -0.862 0.881 98 HZ2 LYS 20 HZ2 LYS 20 -6.908 -0.309 -0.606 99 HZ3 LYS 20 HZ3 LYS 20 -5.252 -0.164 -0.255 100 H VAL 21 HN VAL 21 -8.531 -7.826 -4.670 101 HA VAL 21 HA VAL 21 -11.377 -7.685 -4.718 102 HB VAL 21 HB VAL 21 -9.654 -10.042 -5.500 103 HG11 VAL 21 HG11 VAL 21 -12.160 -10.336 -5.354 104 HG12 VAL 21 HG12 VAL 21 -11.493 -10.588 -6.968 105 HG13 VAL 21 HG13 VAL 21 -12.314 -9.077 -6.578 106 HG21 VAL 21 HG21 VAL 21 -8.859 -7.931 -6.542 107 HG22 VAL 21 HG22 VAL 21 -10.487 -7.635 -7.147 108 HG23 VAL 21 HG23 VAL 21 -9.569 -9.024 -7.729 109 H SER 22 HN SER 22 -9.607 -10.601 -3.819 110 HA SER 22 HA SER 22 -10.199 -10.878 -1.162 111 HB2 SER 22 HB2 SER 22 -12.588 -11.348 -2.880 112 HB3 SER 22 HB1 SER 22 -12.329 -12.472 -1.549 113 HG SER 22 HG SER 22 -13.494 -10.768 -0.753 114 H THR 23 HN THR 23 -9.171 -12.661 -0.478 115 HA THR 23 HA THR 23 -7.783 -14.346 -2.220 116 HB THR 23 HB THR 23 -8.597 -15.096 0.589 117 HG1 THR 23 HG1 THR 23 -7.266 -12.941 -0.269 118 HG21 THR 23 HG21 THR 23 -6.576 -16.354 0.595 119 HG22 THR 23 HG22 THR 23 -5.995 -15.566 -0.872 120 HG23 THR 23 HG23 THR 23 -7.341 -16.703 -0.955 121 H ALA 24 HN ALA 24 -11.032 -14.594 -0.931 122 HA ALA 24 HA ALA 24 -11.361 -17.373 -1.636 123 HB1 ALA 24 HB1 ALA 24 -13.285 -15.219 -0.754 124 HB2 ALA 24 HB2 ALA 24 -12.668 -16.571 0.196 125 HB3 ALA 24 HB3 ALA 24 -13.788 -16.866 -1.134 126 H THR 25 HN THR 25 -12.289 -14.253 -2.997 127 HA THR 25 HA THR 25 -13.948 -15.165 -5.070 128 HB THR 25 HB THR 25 -13.181 -13.037 -6.269 129 HG1 THR 25 HG1 THR 25 -11.490 -12.109 -5.492 130 HG21 THR 25 HG21 THR 25 -14.248 -11.573 -4.523 131 HG22 THR 25 HG22 THR 25 -14.219 -12.952 -3.425 132 HG23 THR 25 HG23 THR 25 -15.176 -13.023 -4.905 133 H VAL 26 HN VAL 26 -10.547 -14.129 -5.457 134 HA VAL 26 HA VAL 26 -10.166 -15.173 -7.995 135 HB VAL 26 HB VAL 26 -8.640 -13.640 -6.618 136 HG11 VAL 26 HG11 VAL 26 -8.481 -15.381 -4.731 137 HG12 VAL 26 HG12 VAL 26 -6.974 -14.614 -5.230 138 HG13 VAL 26 HG13 VAL 26 -7.357 -16.246 -5.779 139 HG21 VAL 26 HG21 VAL 26 -7.371 -15.950 -8.126 140 HG22 VAL 26 HG22 VAL 26 -6.659 -14.357 -7.871 141 HG23 VAL 26 HG23 VAL 26 -8.094 -14.529 -8.880 142 H SER 27 HN SER 27 -10.052 -16.797 -4.885 143 HA SER 27 HA SER 27 -8.819 -19.196 -5.852 144 HB2 SER 27 HB2 SER 27 -8.698 -18.602 -3.490 145 HB3 SER 27 HB1 SER 27 -10.453 -18.675 -3.360 146 HG SER 27 HG SER 27 -10.375 -20.856 -3.737 147 H ARG 28 HN ARG 28 -12.152 -18.107 -5.412 148 HA ARG 28 HA ARG 28 -13.263 -20.699 -6.106 149 HB2 ARG 28 HB2 ARG 28 -14.472 -17.980 -5.586 150 HB3 ARG 28 HB1 ARG 28 -15.434 -19.365 -6.108 151 HG2 ARG 28 HG2 ARG 28 -14.566 -20.655 -4.160 152 HG3 ARG 28 HG1 ARG 28 -13.718 -19.208 -3.616 153 HD2 ARG 28 HD2 ARG 28 -15.804 -18.010 -3.350 154 HD3 ARG 28 HD1 ARG 28 -16.707 -19.334 -4.084 155 HE ARG 28 HE ARG 28 -15.199 -20.036 -1.693 156 HH11 ARG 28 HH21 ARG 28 -18.183 -18.976 -3.089 157 HH12 ARG 28 HH22 ARG 28 -19.153 -19.499 -1.753 158 HH21 ARG 28 HH11 ARG 28 -16.465 -20.725 0.062 159 HH22 ARG 28 HH12 ARG 28 -18.180 -20.490 0.030 160 H ALA 29 HN ALA 29 -12.180 -17.885 -7.724 161 HA ALA 29 HA ALA 29 -13.783 -17.773 -9.991 162 HB1 ALA 29 HB1 ALA 29 -11.818 -16.781 -11.120 163 HB2 ALA 29 HB2 ALA 29 -10.804 -17.287 -9.769 164 HB3 ALA 29 HB3 ALA 29 -12.078 -16.093 -9.517 165 H LEU 30 HN LEU 30 -11.577 -20.233 -9.029 166 HA LEU 30 HA LEU 30 -11.233 -21.298 -11.729 167 HB2 LEU 30 HB2 LEU 30 -10.413 -22.641 -9.157 168 HB3 LEU 30 HB1 LEU 30 -9.721 -22.838 -10.769 169 HG LEU 30 HG LEU 30 -9.577 -20.340 -9.048 170 HD11 LEU 30 HD11 LEU 30 -8.053 -22.192 -8.366 171 HD12 LEU 30 HD12 LEU 30 -7.172 -20.800 -8.992 172 HD13 LEU 30 HD13 LEU 30 -7.395 -22.226 -10.003 173 HD21 LEU 30 HD21 LEU 30 -8.730 -20.925 -11.893 174 HD22 LEU 30 HD22 LEU 30 -7.978 -19.639 -10.949 175 HD23 LEU 30 HD23 LEU 30 -9.706 -19.582 -11.296 176 H MET 31 HN MET 31 -13.549 -21.470 -9.290 177 HA MET 31 HA MET 31 -14.538 -24.107 -10.244 178 HB2 MET 31 HB2 MET 31 -15.074 -22.726 -7.601 179 HB3 MET 31 HB1 MET 31 -15.675 -24.311 -8.090 180 HG2 MET 31 HG2 MET 31 -12.721 -23.676 -8.029 181 HG3 MET 31 HG1 MET 31 -13.574 -24.287 -6.612 182 HE1 MET 31 HE1 MET 31 -11.558 -26.150 -6.880 183 HE2 MET 31 HE2 MET 31 -12.355 -27.700 -7.138 184 HE3 MET 31 HE3 MET 31 -13.075 -26.519 -6.048 185 H ASN 32 HN ASN 32 -15.427 -20.797 -9.369 186 HA ASN 32 HA ASN 32 -17.680 -20.888 -11.208 187 HB2 ASN 32 HB2 ASN 32 -18.027 -20.563 -8.230 188 HB3 ASN 32 HB1 ASN 32 -19.231 -20.021 -9.398 189 HD21 ASN 32 HD21 ASN 32 -20.423 -21.657 -10.590 190 HD22 ASN 32 HD22 ASN 32 -20.367 -23.295 -10.149 191 HA PRO 33 HA PRO 33 -15.707 -16.740 -10.832 192 HB2 PRO 33 HB2 PRO 33 -15.326 -16.233 -13.463 193 HB3 PRO 33 HB1 PRO 33 -14.237 -17.294 -12.547 194 HG2 PRO 33 HG2 PRO 33 -16.428 -18.014 -14.438 195 HG3 PRO 33 HG1 PRO 33 -14.837 -18.766 -14.218 196 HD2 PRO 33 HD2 PRO 33 -17.216 -19.745 -13.134 197 HD3 PRO 33 HD1 PRO 33 -15.595 -20.143 -12.523 198 H ASP 34 HN ASP 34 -18.044 -16.431 -10.092 199 HA ASP 34 HA ASP 34 -19.302 -14.463 -11.825 200 HB2 ASP 34 HB2 ASP 34 -20.262 -16.733 -12.466 201 HB3 ASP 34 HB1 ASP 34 -20.963 -16.788 -10.850 202 H LYS 35 HN LYS 35 -17.981 -14.694 -9.154 203 HA LYS 35 HA LYS 35 -20.203 -13.778 -7.408 204 HB2 LYS 35 HB2 LYS 35 -17.460 -14.807 -6.631 205 HB3 LYS 35 HB1 LYS 35 -18.751 -14.352 -5.524 206 HG2 LYS 35 HG2 LYS 35 -19.287 -16.441 -7.630 207 HG3 LYS 35 HG1 LYS 35 -18.405 -16.894 -6.177 208 HD2 LYS 35 HD2 LYS 35 -21.110 -15.514 -6.155 209 HD3 LYS 35 HD1 LYS 35 -20.890 -17.253 -6.013 210 HE2 LYS 35 HE2 LYS 35 -19.201 -16.459 -4.047 211 HE3 LYS 35 HE1 LYS 35 -20.338 -15.111 -4.010 212 HZ1 LYS 35 HZ1 LYS 35 -21.701 -16.409 -2.881 213 HZ2 LYS 35 HZ2 LYS 35 -20.679 -17.752 -3.069 214 HZ3 LYS 35 HZ3 LYS 35 -21.857 -17.407 -4.243 215 H VAL 36 HN VAL 36 -17.306 -12.896 -9.029 216 HA VAL 36 HA VAL 36 -16.491 -10.720 -7.411 217 HB VAL 36 HB VAL 36 -16.120 -10.965 -10.400 218 HG11 VAL 36 HG11 VAL 36 -14.100 -9.694 -9.981 219 HG12 VAL 36 HG12 VAL 36 -14.351 -9.789 -8.238 220 HG13 VAL 36 HG13 VAL 36 -15.453 -8.842 -9.237 221 HG21 VAL 36 HG21 VAL 36 -14.709 -12.347 -8.106 222 HG22 VAL 36 HG22 VAL 36 -13.958 -12.143 -9.689 223 HG23 VAL 36 HG23 VAL 36 -15.439 -13.085 -9.531 224 H SER 37 HN SER 37 -16.983 -8.559 -7.513 225 HA SER 37 HA SER 37 -19.591 -7.813 -8.258 226 HB2 SER 37 HB2 SER 37 -18.021 -6.673 -6.560 227 HB3 SER 37 HB1 SER 37 -17.335 -5.838 -7.949 228 HG SER 37 HG SER 37 -19.424 -5.119 -6.635 229 H GLN 38 HN GLN 38 -20.382 -6.632 -9.980 230 HA GLN 38 HA GLN 38 -19.490 -7.169 -12.514 231 HB2 GLN 38 HB2 GLN 38 -21.132 -4.879 -11.441 232 HB3 GLN 38 HB1 GLN 38 -20.780 -5.019 -13.162 233 HG2 GLN 38 HG2 GLN 38 -21.937 -7.079 -13.352 234 HG3 GLN 38 HG1 GLN 38 -21.948 -7.332 -11.607 235 HE21 GLN 38 HE21 GLN 38 -22.829 -4.366 -13.443 236 HE22 GLN 38 HE22 GLN 38 -24.424 -4.307 -12.865 237 H ALA 39 HN ALA 39 -18.858 -4.149 -10.712 238 HA ALA 39 HA ALA 39 -17.220 -3.002 -12.703 239 HB1 ALA 39 HB1 ALA 39 -17.122 -2.571 -9.701 240 HB2 ALA 39 HB2 ALA 39 -18.154 -1.690 -10.827 241 HB3 ALA 39 HB3 ALA 39 -16.400 -1.512 -10.913 242 H THR 40 HN THR 40 -16.308 -4.742 -9.723 243 HA THR 40 HA THR 40 -13.537 -4.771 -10.259 244 HB THR 40 HB THR 40 -15.225 -6.618 -8.560 245 HG1 THR 40 HG1 THR 40 -14.064 -5.193 -6.960 246 HG21 THR 40 HG21 THR 40 -13.159 -7.745 -8.987 247 HG22 THR 40 HG22 THR 40 -12.991 -6.993 -7.401 248 HG23 THR 40 HG23 THR 40 -12.233 -6.255 -8.811 249 H ARG 41 HN ARG 41 -16.147 -6.676 -11.472 250 HA ARG 41 HA ARG 41 -14.642 -8.990 -12.216 251 HB2 ARG 41 HB2 ARG 41 -17.072 -9.109 -11.971 252 HB3 ARG 41 HB1 ARG 41 -17.278 -7.935 -13.271 253 HG2 ARG 41 HG2 ARG 41 -16.375 -9.442 -14.901 254 HG3 ARG 41 HG1 ARG 41 -15.817 -10.556 -13.653 255 HD2 ARG 41 HD2 ARG 41 -18.022 -11.240 -13.120 256 HD3 ARG 41 HD1 ARG 41 -18.741 -9.865 -13.953 257 HE ARG 41 HE ARG 41 -17.317 -11.335 -15.859 258 HH11 ARG 41 HH21 ARG 41 -19.997 -11.703 -13.702 259 HH12 ARG 41 HH22 ARG 41 -20.837 -12.827 -14.717 260 HH21 ARG 41 HH11 ARG 41 -18.414 -12.806 -17.197 261 HH22 ARG 41 HH12 ARG 41 -19.942 -13.451 -16.697 262 H ASN 42 HN ASN 42 -15.607 -6.017 -13.898 263 HA ASN 42 HA ASN 42 -14.579 -6.793 -16.433 264 HB2 ASN 42 HB2 ASN 42 -16.247 -4.966 -16.085 265 HB3 ASN 42 HB1 ASN 42 -14.967 -3.988 -15.367 266 HD21 ASN 42 HD21 ASN 42 -14.783 -2.398 -17.030 267 HD22 ASN 42 HD22 ASN 42 -14.315 -2.772 -18.618 268 H ARG 43 HN ARG 43 -13.180 -5.273 -13.613 269 HA ARG 43 HA ARG 43 -10.776 -4.370 -14.855 270 HB2 ARG 43 HB2 ARG 43 -11.532 -4.936 -11.986 271 HB3 ARG 43 HB1 ARG 43 -9.931 -4.359 -12.449 272 HG2 ARG 43 HG2 ARG 43 -10.895 -2.364 -13.464 273 HG3 ARG 43 HG1 ARG 43 -12.527 -2.956 -13.150 274 HD2 ARG 43 HD2 ARG 43 -11.720 -1.272 -11.466 275 HD3 ARG 43 HD1 ARG 43 -12.192 -2.815 -10.763 276 HE ARG 43 HE ARG 43 -9.525 -3.133 -11.175 277 HH11 ARG 43 HH21 ARG 43 -11.468 -0.673 -9.708 278 HH12 ARG 43 HH22 ARG 43 -10.254 -0.202 -8.566 279 HH21 ARG 43 HH11 ARG 43 -7.929 -2.522 -9.679 280 HH22 ARG 43 HH12 ARG 43 -8.251 -1.250 -8.548 281 H VAL 44 HN VAL 44 -11.646 -7.263 -12.993 282 HA VAL 44 HA VAL 44 -9.130 -8.495 -12.991 283 HB VAL 44 HB VAL 44 -11.932 -9.635 -12.920 284 HG11 VAL 44 HG11 VAL 44 -10.579 -11.431 -13.737 285 HG12 VAL 44 HG12 VAL 44 -10.739 -11.696 -12.001 286 HG13 VAL 44 HG13 VAL 44 -9.250 -11.016 -12.655 287 HG21 VAL 44 HG21 VAL 44 -9.851 -9.474 -10.731 288 HG22 VAL 44 HG22 VAL 44 -11.582 -9.765 -10.565 289 HG23 VAL 44 HG23 VAL 44 -10.996 -8.168 -11.035 290 H GLU 45 HN GLU 45 -11.865 -8.903 -15.248 291 HA GLU 45 HA GLU 45 -10.776 -10.774 -16.963 292 HB2 GLU 45 HB2 GLU 45 -13.076 -10.005 -17.206 293 HB3 GLU 45 HB1 GLU 45 -12.516 -8.399 -17.680 294 HG2 GLU 45 HG2 GLU 45 -11.568 -9.229 -19.712 295 HG3 GLU 45 HG1 GLU 45 -11.751 -10.903 -19.193 296 H LYS 46 HN LYS 46 -10.449 -7.216 -17.213 297 HA LYS 46 HA LYS 46 -8.682 -7.341 -19.454 298 HB2 LYS 46 HB2 LYS 46 -10.095 -5.351 -18.796 299 HB3 LYS 46 HB1 LYS 46 -8.960 -5.070 -17.475 300 HG2 LYS 46 HG2 LYS 46 -7.104 -5.022 -19.202 301 HG3 LYS 46 HG1 LYS 46 -8.356 -5.043 -20.447 302 HD2 LYS 46 HD2 LYS 46 -9.363 -3.009 -19.261 303 HD3 LYS 46 HD1 LYS 46 -7.851 -2.918 -18.357 304 HE2 LYS 46 HE2 LYS 46 -6.665 -2.951 -20.628 305 HE3 LYS 46 HE1 LYS 46 -8.250 -2.653 -21.342 306 HZ1 LYS 46 HZ1 LYS 46 -6.514 -0.795 -20.226 307 HZ2 LYS 46 HZ2 LYS 46 -7.844 -0.901 -19.174 308 HZ3 LYS 46 HZ3 LYS 46 -8.082 -0.525 -20.813 309 H ALA 47 HN ALA 47 -8.246 -7.246 -15.965 310 HA ALA 47 HA ALA 47 -5.424 -6.791 -16.025 311 HB1 ALA 47 HB1 ALA 47 -5.473 -7.174 -13.683 312 HB2 ALA 47 HB2 ALA 47 -6.957 -8.120 -13.792 313 HB3 ALA 47 HB3 ALA 47 -6.999 -6.378 -14.061 314 H ALA 48 HN ALA 48 -7.440 -9.553 -16.466 315 HA ALA 48 HA ALA 48 -5.672 -11.606 -15.664 316 HB1 ALA 48 HB1 ALA 48 -7.091 -13.088 -16.862 317 HB2 ALA 48 HB2 ALA 48 -7.637 -11.808 -17.947 318 HB3 ALA 48 HB3 ALA 48 -8.147 -11.810 -16.259 319 H ARG 49 HN ARG 49 -6.189 -10.034 -18.816 320 HA ARG 49 HA ARG 49 -4.122 -11.558 -20.108 321 HB2 ARG 49 HB2 ARG 49 -6.070 -10.607 -21.326 322 HB3 ARG 49 HB1 ARG 49 -5.445 -8.988 -21.009 323 HG2 ARG 49 HG2 ARG 49 -3.401 -9.488 -22.252 324 HG3 ARG 49 HG1 ARG 49 -3.919 -11.156 -22.491 325 HD2 ARG 49 HD2 ARG 49 -4.486 -10.065 -24.514 326 HD3 ARG 49 HD1 ARG 49 -6.003 -10.173 -23.629 327 HE ARG 49 HE ARG 49 -4.946 -7.737 -22.904 328 HH11 ARG 49 HH21 ARG 49 -5.742 -9.360 -25.856 329 HH12 ARG 49 HH22 ARG 49 -6.120 -7.904 -26.716 330 HH21 ARG 49 HH11 ARG 49 -5.441 -5.823 -24.026 331 HH22 ARG 49 HH12 ARG 49 -5.950 -5.902 -25.680 332 H GLU 50 HN GLU 50 -4.330 -8.403 -18.555 333 HA GLU 50 HA GLU 50 -1.937 -7.279 -19.468 334 HB2 GLU 50 HB2 GLU 50 -3.802 -6.162 -18.126 335 HB3 GLU 50 HB1 GLU 50 -3.053 -6.871 -16.693 336 HG2 GLU 50 HG2 GLU 50 -0.889 -5.791 -17.376 337 HG3 GLU 50 HG1 GLU 50 -1.765 -4.967 -18.665 338 H VAL 51 HN VAL 51 -2.559 -9.297 -16.596 339 HA VAL 51 HA VAL 51 0.197 -9.252 -15.775 340 HB VAL 51 HB VAL 51 -1.681 -9.568 -14.180 341 HG11 VAL 51 HG11 VAL 51 -1.872 -12.339 -15.393 342 HG12 VAL 51 HG12 VAL 51 -3.024 -11.043 -15.702 343 HG13 VAL 51 HG13 VAL 51 -2.845 -11.690 -14.074 344 HG21 VAL 51 HG21 VAL 51 0.699 -10.384 -13.785 345 HG22 VAL 51 HG22 VAL 51 0.131 -11.992 -14.230 346 HG23 VAL 51 HG23 VAL 51 -0.542 -11.178 -12.817 347 H GLY 52 HN GLY 52 -1.584 -11.014 -18.085 348 HA2 GLY 52 HA2 GLY 52 -1.041 -12.753 -19.484 349 HA3 GLY 52 HA1 GLY 52 0.637 -12.362 -19.124 350 H TYR 53 HN TYR 53 -2.071 -13.711 -17.219 351 HA TYR 53 HA TYR 53 -0.257 -15.864 -16.284 352 HB2 TYR 53 HB2 TYR 53 -1.219 -14.416 -14.522 353 HB3 TYR 53 HB1 TYR 53 -2.838 -14.862 -15.060 354 HD1 TYR 53 HD2 TYR 53 0.402 -16.415 -13.989 355 HD2 TYR 53 HD1 TYR 53 -3.879 -16.745 -14.116 356 HE1 TYR 53 HE2 TYR 53 0.520 -18.474 -12.613 357 HE2 TYR 53 HE1 TYR 53 -3.761 -18.804 -12.739 358 HH TYR 53 HH TYR 53 -1.504 -20.670 -12.415 359 H LEU 54 HN LEU 54 -0.970 -18.006 -16.291 360 HA LEU 54 HA LEU 54 -3.496 -18.612 -17.679 361 HB2 LEU 54 HB2 LEU 54 -0.719 -19.436 -18.504 362 HB3 LEU 54 HB1 LEU 54 -2.103 -20.437 -18.924 363 HG LEU 54 HG LEU 54 -2.237 -17.485 -19.522 364 HD11 LEU 54 HD11 LEU 54 -0.794 -19.515 -21.253 365 HD12 LEU 54 HD12 LEU 54 -0.030 -18.185 -20.381 366 HD13 LEU 54 HD13 LEU 54 -1.151 -17.847 -21.699 367 HD21 LEU 54 HD21 LEU 54 -3.262 -19.994 -20.900 368 HD22 LEU 54 HD22 LEU 54 -3.523 -18.353 -21.487 369 HD23 LEU 54 HD23 LEU 54 -4.222 -18.860 -19.951 370 HA PRO 55 HA PRO 55 -3.701 -21.712 -14.515 371 HB2 PRO 55 HB2 PRO 55 -5.346 -23.570 -15.649 372 HB3 PRO 55 HB1 PRO 55 -5.926 -21.974 -15.129 373 HG2 PRO 55 HG2 PRO 55 -5.173 -22.902 -17.875 374 HG3 PRO 55 HG1 PRO 55 -6.574 -21.941 -17.360 375 HD2 PRO 55 HD2 PRO 55 -4.355 -20.800 -18.464 376 HD3 PRO 55 HD1 PRO 55 -5.349 -19.965 -17.250
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