NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
512673 | 2lcv | 17634 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 9 HT1 ALA 9 4.116 -15.202 -23.454 2 H2 ALA 9 HT2 ALA 9 4.087 -14.464 -24.983 3 H3 ALA 9 HT3 ALA 9 3.556 -16.068 -24.800 4 HA ALA 9 HA ALA 9 2.106 -13.641 -24.484 5 HB1 ALA 9 HB1 ALA 9 1.125 -16.487 -24.212 6 HB2 ALA 9 HB2 ALA 9 1.551 -15.792 -25.776 7 HB3 ALA 9 HB3 ALA 9 0.245 -15.085 -24.822 8 H ALA 10 HN ALA 10 1.039 -12.847 -22.723 9 HA ALA 10 HA ALA 10 1.823 -13.848 -20.110 10 HB1 ALA 10 HB1 ALA 10 1.656 -11.384 -20.769 11 HB2 ALA 10 HB2 ALA 10 0.888 -11.843 -19.249 12 HB3 ALA 10 HB3 ALA 10 -0.093 -11.591 -20.694 13 H THR 11 HN THR 11 -0.095 -13.704 -18.417 14 HA THR 11 HA THR 11 -2.528 -14.981 -19.477 15 HB THR 11 HB THR 11 -2.391 -16.689 -17.664 16 HG1 THR 11 HG1 THR 11 0.269 -16.450 -17.289 17 HG21 THR 11 HG21 THR 11 -1.591 -17.168 -19.983 18 HG22 THR 11 HG22 THR 11 -0.721 -18.091 -18.758 19 HG23 THR 11 HG23 THR 11 0.029 -16.674 -19.490 20 H MET 12 HN MET 12 -4.360 -14.622 -18.257 21 HA MET 12 HA MET 12 -4.601 -12.265 -16.842 22 HB2 MET 12 HB2 MET 12 -6.705 -13.443 -15.848 23 HB3 MET 12 HB1 MET 12 -6.618 -13.203 -17.592 24 HG2 MET 12 HG2 MET 12 -5.904 -15.477 -17.949 25 HG3 MET 12 HG1 MET 12 -5.707 -15.742 -16.217 26 HE1 MET 12 HE1 MET 12 -8.674 -17.999 -17.277 27 HE2 MET 12 HE2 MET 12 -7.391 -17.911 -16.072 28 HE3 MET 12 HE3 MET 12 -7.002 -17.698 -17.778 29 H LYS 13 HN LYS 13 -3.732 -15.465 -15.691 30 HA LYS 13 HA LYS 13 -4.022 -14.968 -12.923 31 HB2 LYS 13 HB2 LYS 13 -2.359 -16.929 -14.499 32 HB3 LYS 13 HB1 LYS 13 -2.363 -16.904 -12.739 33 HG2 LYS 13 HG2 LYS 13 -4.989 -17.009 -14.217 34 HG3 LYS 13 HG1 LYS 13 -4.041 -18.481 -14.034 35 HD2 LYS 13 HD2 LYS 13 -3.999 -18.131 -11.576 36 HD3 LYS 13 HD1 LYS 13 -5.005 -16.697 -11.775 37 HE2 LYS 13 HE2 LYS 13 -6.448 -18.554 -11.204 38 HE3 LYS 13 HE1 LYS 13 -6.726 -18.142 -12.898 39 HZ1 LYS 13 HZ1 LYS 13 -4.612 -19.974 -12.754 40 HZ2 LYS 13 HZ2 LYS 13 -6.141 -20.182 -13.465 41 HZ3 LYS 13 HZ3 LYS 13 -5.898 -20.586 -11.833 42 H ASP 14 HN ASP 14 -1.242 -14.673 -15.126 43 HA ASP 14 HA ASP 14 0.664 -14.010 -13.213 44 HB2 ASP 14 HB2 ASP 14 1.208 -14.579 -15.551 45 HB3 ASP 14 HB1 ASP 14 0.468 -13.071 -16.085 46 H VAL 15 HN VAL 15 -1.709 -12.025 -14.920 47 HA VAL 15 HA VAL 15 -0.735 -9.510 -14.203 48 HB VAL 15 HB VAL 15 -3.572 -10.460 -14.671 49 HG11 VAL 15 HG11 VAL 15 -3.985 -8.018 -15.166 50 HG12 VAL 15 HG12 VAL 15 -2.415 -7.670 -14.442 51 HG13 VAL 15 HG13 VAL 15 -3.702 -8.381 -13.466 52 HG21 VAL 15 HG21 VAL 15 -1.415 -9.281 -16.435 53 HG22 VAL 15 HG22 VAL 15 -3.117 -9.238 -16.890 54 HG23 VAL 15 HG23 VAL 15 -2.309 -10.784 -16.661 55 H ALA 16 HN ALA 16 -2.935 -11.718 -12.514 56 HA ALA 16 HA ALA 16 -3.765 -10.095 -10.425 57 HB1 ALA 16 HB1 ALA 16 -4.441 -12.519 -10.922 58 HB2 ALA 16 HB2 ALA 16 -4.265 -12.086 -9.223 59 HB3 ALA 16 HB3 ALA 16 -2.990 -12.990 -10.038 60 H LEU 17 HN LEU 17 -0.758 -11.938 -10.768 61 HA LEU 17 HA LEU 17 0.256 -11.434 -8.183 62 HB2 LEU 17 HB2 LEU 17 1.246 -13.147 -9.592 63 HB3 LEU 17 HB1 LEU 17 1.724 -11.938 -10.782 64 HG LEU 17 HG LEU 17 3.216 -10.875 -9.127 65 HD11 LEU 17 HD11 LEU 17 1.983 -12.947 -7.313 66 HD12 LEU 17 HD12 LEU 17 2.257 -11.231 -7.009 67 HD13 LEU 17 HD13 LEU 17 3.613 -12.355 -6.989 68 HD21 LEU 17 HD21 LEU 17 4.056 -12.731 -10.559 69 HD22 LEU 17 HD22 LEU 17 3.626 -13.879 -9.293 70 HD23 LEU 17 HD23 LEU 17 4.883 -12.675 -9.002 71 H LYS 18 HN LYS 18 0.599 -9.674 -11.238 72 HA LYS 18 HA LYS 18 2.407 -7.718 -10.328 73 HB2 LYS 18 HB2 LYS 18 1.871 -8.158 -12.710 74 HB3 LYS 18 HB1 LYS 18 0.282 -7.440 -12.457 75 HG2 LYS 18 HG2 LYS 18 1.303 -5.305 -11.830 76 HG3 LYS 18 HG1 LYS 18 2.911 -6.012 -11.954 77 HD2 LYS 18 HD2 LYS 18 2.730 -4.973 -14.036 78 HD3 LYS 18 HD1 LYS 18 2.152 -6.590 -14.423 79 HE2 LYS 18 HE2 LYS 18 0.536 -5.136 -15.378 80 HE3 LYS 18 HE1 LYS 18 -0.203 -5.673 -13.870 81 HZ1 LYS 18 HZ1 LYS 18 -0.468 -3.369 -13.885 82 HZ2 LYS 18 HZ2 LYS 18 1.110 -3.091 -14.449 83 HZ3 LYS 18 HZ3 LYS 18 0.856 -3.626 -12.857 84 H ALA 19 HN ALA 19 -1.128 -7.826 -10.353 85 HA ALA 19 HA ALA 19 -1.270 -5.233 -8.971 86 HB1 ALA 19 HB1 ALA 19 -2.929 -5.196 -10.584 87 HB2 ALA 19 HB2 ALA 19 -3.852 -5.884 -9.248 88 HB3 ALA 19 HB3 ALA 19 -3.193 -6.938 -10.502 89 H LYS 20 HN LYS 20 -0.686 -8.278 -8.056 90 HA LYS 20 HA LYS 20 -1.127 -9.573 -6.180 91 HB2 LYS 20 HB2 LYS 20 -1.102 -6.761 -5.063 92 HB3 LYS 20 HB1 LYS 20 -1.060 -8.216 -4.066 93 HG2 LYS 20 HG2 LYS 20 1.013 -8.946 -5.198 94 HG3 LYS 20 HG1 LYS 20 0.972 -7.500 -6.212 95 HD2 LYS 20 HD2 LYS 20 1.123 -6.087 -4.195 96 HD3 LYS 20 HD1 LYS 20 1.186 -7.536 -3.190 97 HE2 LYS 20 HE2 LYS 20 3.256 -8.245 -4.323 98 HE3 LYS 20 HE1 LYS 20 3.193 -6.811 -5.346 99 HZ1 LYS 20 HZ1 LYS 20 3.964 -7.071 -2.562 100 HZ2 LYS 20 HZ2 LYS 20 3.009 -5.714 -2.928 101 HZ3 LYS 20 HZ3 LYS 20 4.484 -5.961 -3.735 102 H VAL 21 HN VAL 21 -3.423 -9.211 -7.667 103 HA VAL 21 HA VAL 21 -5.616 -8.222 -6.138 104 HB VAL 21 HB VAL 21 -5.637 -10.249 -8.387 105 HG11 VAL 21 HG11 VAL 21 -7.779 -8.448 -7.224 106 HG12 VAL 21 HG12 VAL 21 -7.736 -10.204 -7.141 107 HG13 VAL 21 HG13 VAL 21 -7.963 -9.403 -8.695 108 HG21 VAL 21 HG21 VAL 21 -4.524 -8.137 -9.017 109 HG22 VAL 21 HG22 VAL 21 -5.914 -7.227 -8.427 110 HG23 VAL 21 HG23 VAL 21 -6.085 -8.292 -9.823 111 H SER 22 HN SER 22 -5.284 -11.583 -7.183 112 HA SER 22 HA SER 22 -4.996 -12.902 -4.794 113 HB2 SER 22 HB2 SER 22 -6.860 -12.098 -3.683 114 HB3 SER 22 HB1 SER 22 -7.756 -11.837 -5.172 115 HG SER 22 HG SER 22 -8.547 -13.621 -3.959 116 H THR 23 HN THR 23 -4.966 -15.060 -5.113 117 HA THR 23 HA THR 23 -5.193 -16.062 -7.763 118 HB THR 23 HB THR 23 -4.870 -18.310 -6.603 119 HG1 THR 23 HG1 THR 23 -4.115 -17.885 -4.352 120 HG21 THR 23 HG21 THR 23 -2.981 -17.031 -7.487 121 HG22 THR 23 HG22 THR 23 -2.533 -17.774 -5.952 122 HG23 THR 23 HG23 THR 23 -2.923 -16.057 -6.020 123 H ALA 24 HN ALA 24 -7.390 -15.903 -5.049 124 HA ALA 24 HA ALA 24 -9.210 -17.890 -6.067 125 HB1 ALA 24 HB1 ALA 24 -9.371 -15.862 -3.852 126 HB2 ALA 24 HB2 ALA 24 -9.194 -17.613 -3.719 127 HB3 ALA 24 HB3 ALA 24 -10.717 -16.920 -4.279 128 H THR 25 HN THR 25 -8.999 -14.370 -6.017 129 HA THR 25 HA THR 25 -11.539 -13.714 -6.987 130 HB THR 25 HB THR 25 -10.328 -11.668 -7.957 131 HG1 THR 25 HG1 THR 25 -8.292 -13.281 -7.596 132 HG21 THR 25 HG21 THR 25 -11.360 -11.582 -5.772 133 HG22 THR 25 HG22 THR 25 -9.780 -10.819 -5.666 134 HG23 THR 25 HG23 THR 25 -10.011 -12.458 -5.052 135 H VAL 26 HN VAL 26 -8.566 -13.754 -8.982 136 HA VAL 26 HA VAL 26 -9.924 -13.659 -11.436 137 HB VAL 26 HB VAL 26 -7.165 -14.604 -10.667 138 HG11 VAL 26 HG11 VAL 26 -8.475 -14.526 -13.394 139 HG12 VAL 26 HG12 VAL 26 -7.567 -15.844 -12.653 140 HG13 VAL 26 HG13 VAL 26 -6.726 -14.396 -13.204 141 HG21 VAL 26 HG21 VAL 26 -7.467 -12.222 -10.458 142 HG22 VAL 26 HG22 VAL 26 -8.268 -12.131 -12.026 143 HG23 VAL 26 HG23 VAL 26 -6.549 -12.507 -11.936 144 H SER 27 HN SER 27 -9.218 -16.304 -9.294 145 HA SER 27 HA SER 27 -9.564 -18.402 -11.220 146 HB2 SER 27 HB2 SER 27 -8.360 -19.015 -9.300 147 HB3 SER 27 HB1 SER 27 -9.540 -18.279 -8.229 148 HG SER 27 HG SER 27 -11.039 -19.893 -9.094 149 H ARG 28 HN ARG 28 -11.670 -16.857 -8.810 150 HA ARG 28 HA ARG 28 -13.962 -18.467 -9.589 151 HB2 ARG 28 HB2 ARG 28 -13.638 -16.186 -7.636 152 HB3 ARG 28 HB1 ARG 28 -15.164 -17.020 -7.937 153 HG2 ARG 28 HG2 ARG 28 -14.120 -19.166 -7.305 154 HG3 ARG 28 HG1 ARG 28 -12.601 -18.326 -6.988 155 HD2 ARG 28 HD2 ARG 28 -13.722 -16.954 -5.270 156 HD3 ARG 28 HD1 ARG 28 -15.231 -17.806 -5.572 157 HE ARG 28 HE ARG 28 -12.906 -18.836 -4.143 158 HH11 ARG 28 HH21 ARG 28 -15.911 -19.471 -5.737 159 HH12 ARG 28 HH22 ARG 28 -16.173 -20.985 -4.937 160 HH21 ARG 28 HH11 ARG 28 -13.242 -20.821 -3.092 161 HH22 ARG 28 HH12 ARG 28 -14.663 -21.750 -3.441 162 H ALA 29 HN ALA 29 -12.507 -15.511 -10.508 163 HA ALA 29 HA ALA 29 -14.592 -13.874 -11.245 164 HB1 ALA 29 HB1 ALA 29 -12.057 -14.427 -12.807 165 HB2 ALA 29 HB2 ALA 29 -12.265 -13.215 -11.540 166 HB3 ALA 29 HB3 ALA 29 -13.127 -13.049 -13.068 167 H LEU 30 HN LEU 30 -13.224 -16.553 -13.147 168 HA LEU 30 HA LEU 30 -15.113 -16.229 -15.265 169 HB2 LEU 30 HB2 LEU 30 -13.063 -18.293 -14.537 170 HB3 LEU 30 HB1 LEU 30 -14.236 -18.654 -15.799 171 HG LEU 30 HG LEU 30 -12.096 -17.655 -16.653 172 HD11 LEU 30 HD11 LEU 30 -14.087 -15.540 -17.316 173 HD12 LEU 30 HD12 LEU 30 -14.641 -17.195 -17.564 174 HD13 LEU 30 HD13 LEU 30 -13.189 -16.625 -18.380 175 HD21 LEU 30 HD21 LEU 30 -13.061 -15.094 -15.352 176 HD22 LEU 30 HD22 LEU 30 -11.528 -15.380 -16.164 177 HD23 LEU 30 HD23 LEU 30 -11.846 -16.144 -14.616 178 H MET 31 HN MET 31 -15.428 -17.407 -12.168 179 HA MET 31 HA MET 31 -17.558 -19.326 -12.892 180 HB2 MET 31 HB2 MET 31 -16.127 -18.806 -10.288 181 HB3 MET 31 HB1 MET 31 -17.426 -19.973 -10.501 182 HG2 MET 31 HG2 MET 31 -16.103 -21.168 -12.195 183 HG3 MET 31 HG1 MET 31 -14.806 -19.985 -12.033 184 HE1 MET 31 HE1 MET 31 -16.451 -23.099 -10.924 185 HE2 MET 31 HE2 MET 31 -17.163 -22.129 -9.639 186 HE3 MET 31 HE3 MET 31 -15.994 -23.384 -9.240 187 H ASN 32 HN ASN 32 -16.950 -16.607 -10.659 188 HA ASN 32 HA ASN 32 -19.517 -15.463 -11.141 189 HB2 ASN 32 HB2 ASN 32 -20.009 -17.465 -9.655 190 HB3 ASN 32 HB1 ASN 32 -19.143 -16.605 -8.381 191 HD21 ASN 32 HD21 ASN 32 -20.108 -13.926 -9.476 192 HD22 ASN 32 HD22 ASN 32 -21.730 -13.819 -8.992 193 HA PRO 33 HA PRO 33 -16.216 -12.547 -9.680 194 HB2 PRO 33 HB2 PRO 33 -18.034 -10.682 -11.149 195 HB3 PRO 33 HB1 PRO 33 -16.270 -10.846 -11.252 196 HG2 PRO 33 HG2 PRO 33 -17.860 -11.750 -13.188 197 HG3 PRO 33 HG1 PRO 33 -16.394 -12.626 -12.714 198 HD2 PRO 33 HD2 PRO 33 -19.258 -13.256 -12.067 199 HD3 PRO 33 HD1 PRO 33 -17.915 -14.366 -12.420 200 H ASP 34 HN ASP 34 -16.389 -11.874 -7.637 201 HA ASP 34 HA ASP 34 -18.314 -9.981 -6.768 202 HB2 ASP 34 HB2 ASP 34 -19.747 -12.039 -6.819 203 HB3 ASP 34 HB1 ASP 34 -18.679 -12.749 -5.610 204 H LYS 35 HN LYS 35 -15.377 -10.890 -6.679 205 HA LYS 35 HA LYS 35 -14.957 -10.363 -3.801 206 HB2 LYS 35 HB2 LYS 35 -13.541 -12.350 -5.582 207 HB3 LYS 35 HB1 LYS 35 -12.903 -11.823 -4.023 208 HG2 LYS 35 HG2 LYS 35 -14.968 -12.596 -2.917 209 HG3 LYS 35 HG1 LYS 35 -15.609 -13.118 -4.475 210 HD2 LYS 35 HD2 LYS 35 -13.697 -14.670 -4.731 211 HD3 LYS 35 HD1 LYS 35 -13.097 -14.175 -3.147 212 HE2 LYS 35 HE2 LYS 35 -15.834 -15.387 -3.628 213 HE3 LYS 35 HE1 LYS 35 -14.427 -16.296 -3.074 214 HZ1 LYS 35 HZ1 LYS 35 -15.747 -14.029 -1.690 215 HZ2 LYS 35 HZ2 LYS 35 -14.278 -14.719 -1.192 216 HZ3 LYS 35 HZ3 LYS 35 -15.701 -15.646 -1.185 217 H VAL 36 HN VAL 36 -14.543 -9.306 -6.929 218 HA VAL 36 HA VAL 36 -11.911 -8.090 -6.502 219 HB VAL 36 HB VAL 36 -13.751 -7.703 -8.861 220 HG11 VAL 36 HG11 VAL 36 -11.535 -7.369 -10.010 221 HG12 VAL 36 HG12 VAL 36 -10.762 -7.451 -8.427 222 HG13 VAL 36 HG13 VAL 36 -11.897 -6.149 -8.787 223 HG21 VAL 36 HG21 VAL 36 -11.777 -9.917 -8.270 224 HG22 VAL 36 HG22 VAL 36 -12.349 -9.557 -9.895 225 HG23 VAL 36 HG23 VAL 36 -13.486 -10.087 -8.657 226 H SER 37 HN SER 37 -11.659 -6.110 -5.722 227 HA SER 37 HA SER 37 -13.837 -4.512 -4.874 228 HB2 SER 37 HB2 SER 37 -11.631 -4.463 -3.764 229 HB3 SER 37 HB1 SER 37 -10.926 -3.745 -5.210 230 HG SER 37 HG SER 37 -13.066 -2.333 -4.594 231 H GLN 38 HN GLN 38 -14.601 -2.552 -5.658 232 HA GLN 38 HA GLN 38 -15.008 -2.275 -8.368 233 HB2 GLN 38 HB2 GLN 38 -14.997 -0.218 -6.160 234 HB3 GLN 38 HB1 GLN 38 -15.431 0.198 -7.817 235 HG2 GLN 38 HG2 GLN 38 -16.762 -2.059 -6.299 236 HG3 GLN 38 HG1 GLN 38 -17.378 -0.408 -6.289 237 HE21 GLN 38 HE21 GLN 38 -16.853 0.308 -9.002 238 HE22 GLN 38 HE22 GLN 38 -17.822 -0.656 -10.007 239 H ALA 39 HN ALA 39 -12.525 -0.649 -6.406 240 HA ALA 39 HA ALA 39 -11.353 0.782 -8.552 241 HB1 ALA 39 HB1 ALA 39 -10.911 1.279 -6.158 242 HB2 ALA 39 HB2 ALA 39 -9.415 1.044 -7.065 243 HB3 ALA 39 HB3 ALA 39 -10.026 -0.241 -6.025 244 H THR 40 HN THR 40 -10.338 -2.277 -7.003 245 HA THR 40 HA THR 40 -8.269 -2.840 -8.838 246 HB THR 40 HB THR 40 -9.880 -4.701 -7.077 247 HG1 THR 40 HG1 THR 40 -7.492 -3.230 -6.790 248 HG21 THR 40 HG21 THR 40 -8.858 -6.073 -8.729 249 HG22 THR 40 HG22 THR 40 -7.767 -6.126 -7.346 250 HG23 THR 40 HG23 THR 40 -7.382 -5.105 -8.729 251 H ARG 41 HN ARG 41 -11.687 -3.178 -9.020 252 HA ARG 41 HA ARG 41 -11.807 -5.258 -10.969 253 HB2 ARG 41 HB2 ARG 41 -13.741 -4.625 -9.547 254 HB3 ARG 41 HB1 ARG 41 -13.828 -3.078 -10.388 255 HG2 ARG 41 HG2 ARG 41 -14.232 -4.226 -12.514 256 HG3 ARG 41 HG1 ARG 41 -14.081 -5.792 -11.714 257 HD2 ARG 41 HD2 ARG 41 -16.126 -3.696 -10.944 258 HD3 ARG 41 HD1 ARG 41 -16.459 -5.031 -12.042 259 HE ARG 41 HE ARG 41 -15.401 -6.166 -9.732 260 HH11 ARG 41 HH21 ARG 41 -18.098 -4.209 -10.662 261 HH12 ARG 41 HH22 ARG 41 -19.149 -4.826 -9.431 262 HH21 ARG 41 HH11 ARG 41 -16.775 -6.983 -8.116 263 HH22 ARG 41 HH12 ARG 41 -18.398 -6.397 -7.990 264 H ASN 42 HN ASN 42 -11.785 -1.711 -11.143 265 HA ASN 42 HA ASN 42 -12.100 -1.593 -13.972 266 HB2 ASN 42 HB2 ASN 42 -11.091 0.402 -11.942 267 HB3 ASN 42 HB1 ASN 42 -11.252 0.772 -13.659 268 HD21 ASN 42 HD21 ASN 42 -13.675 -0.668 -14.204 269 HD22 ASN 42 HD22 ASN 42 -14.938 0.079 -13.350 270 H ARG 43 HN ARG 43 -9.315 -1.609 -11.818 271 HA ARG 43 HA ARG 43 -7.339 -1.068 -13.772 272 HB2 ARG 43 HB2 ARG 43 -7.108 -2.571 -11.154 273 HB3 ARG 43 HB1 ARG 43 -5.758 -1.937 -12.091 274 HG2 ARG 43 HG2 ARG 43 -7.997 -0.146 -11.144 275 HG3 ARG 43 HG1 ARG 43 -6.608 -0.498 -10.122 276 HD2 ARG 43 HD2 ARG 43 -5.123 0.319 -11.986 277 HD3 ARG 43 HD1 ARG 43 -6.567 0.828 -12.852 278 HE ARG 43 HE ARG 43 -5.447 2.069 -10.459 279 HH11 ARG 43 HH21 ARG 43 -8.107 1.730 -12.654 280 HH12 ARG 43 HH22 ARG 43 -8.806 3.262 -12.254 281 HH21 ARG 43 HH11 ARG 43 -6.357 4.071 -9.935 282 HH22 ARG 43 HH12 ARG 43 -7.815 4.588 -10.712 283 H VAL 44 HN VAL 44 -8.679 -4.078 -12.483 284 HA VAL 44 HA VAL 44 -6.949 -5.818 -13.866 285 HB VAL 44 HB VAL 44 -9.746 -6.164 -12.784 286 HG11 VAL 44 HG11 VAL 44 -9.634 -7.784 -14.527 287 HG12 VAL 44 HG12 VAL 44 -9.203 -8.657 -13.059 288 HG13 VAL 44 HG13 VAL 44 -7.943 -8.151 -14.182 289 HG21 VAL 44 HG21 VAL 44 -7.204 -7.488 -11.832 290 HG22 VAL 44 HG22 VAL 44 -8.697 -7.191 -10.940 291 HG23 VAL 44 HG23 VAL 44 -7.608 -5.854 -11.313 292 H GLU 45 HN GLU 45 -10.182 -4.583 -14.676 293 HA GLU 45 HA GLU 45 -10.606 -5.926 -17.056 294 HB2 GLU 45 HB2 GLU 45 -12.251 -4.407 -15.923 295 HB3 GLU 45 HB1 GLU 45 -11.339 -3.030 -16.543 296 HG2 GLU 45 HG2 GLU 45 -13.166 -3.444 -18.062 297 HG3 GLU 45 HG1 GLU 45 -11.684 -3.957 -18.867 298 H LYS 46 HN LYS 46 -8.847 -2.885 -16.532 299 HA LYS 46 HA LYS 46 -8.200 -2.499 -19.283 300 HB2 LYS 46 HB2 LYS 46 -8.224 -0.686 -17.580 301 HB3 LYS 46 HB1 LYS 46 -6.797 -1.406 -16.836 302 HG2 LYS 46 HG2 LYS 46 -5.567 -1.153 -18.984 303 HG3 LYS 46 HG1 LYS 46 -6.986 -0.384 -19.691 304 HD2 LYS 46 HD2 LYS 46 -5.668 0.663 -17.181 305 HD3 LYS 46 HD1 LYS 46 -5.163 1.181 -18.787 306 HE2 LYS 46 HE2 LYS 46 -7.630 1.780 -19.201 307 HE3 LYS 46 HE1 LYS 46 -7.856 1.575 -17.464 308 HZ1 LYS 46 HZ1 LYS 46 -5.622 3.230 -18.344 309 HZ2 LYS 46 HZ2 LYS 46 -6.628 3.392 -16.985 310 HZ3 LYS 46 HZ3 LYS 46 -7.181 3.874 -18.517 311 H ALA 47 HN ALA 47 -6.555 -4.007 -16.546 312 HA ALA 47 HA ALA 47 -4.094 -4.469 -17.942 313 HB1 ALA 47 HB1 ALA 47 -4.188 -4.340 -15.488 314 HB2 ALA 47 HB2 ALA 47 -3.527 -5.885 -16.021 315 HB3 ALA 47 HB3 ALA 47 -5.194 -5.788 -15.450 316 H ALA 48 HN ALA 48 -7.140 -6.085 -17.738 317 HA ALA 48 HA ALA 48 -6.250 -8.697 -18.481 318 HB1 ALA 48 HB1 ALA 48 -8.504 -9.275 -18.557 319 HB2 ALA 48 HB2 ALA 48 -9.009 -7.676 -19.103 320 HB3 ALA 48 HB3 ALA 48 -8.521 -7.927 -17.429 321 H ARG 49 HN ARG 49 -7.307 -5.846 -20.265 322 HA ARG 49 HA ARG 49 -7.441 -7.128 -22.808 323 HB2 ARG 49 HB2 ARG 49 -8.614 -5.008 -22.293 324 HB3 ARG 49 HB1 ARG 49 -7.053 -4.195 -22.170 325 HG2 ARG 49 HG2 ARG 49 -6.547 -4.771 -24.512 326 HG3 ARG 49 HG1 ARG 49 -8.084 -5.626 -24.644 327 HD2 ARG 49 HD2 ARG 49 -8.346 -3.412 -25.593 328 HD3 ARG 49 HD1 ARG 49 -9.262 -3.494 -24.091 329 HE ARG 49 HE ARG 49 -6.654 -2.521 -23.558 330 HH11 ARG 49 HH21 ARG 49 -9.645 -1.666 -25.069 331 HH12 ARG 49 HH22 ARG 49 -9.459 0.034 -24.796 332 HH21 ARG 49 HH11 ARG 49 -6.400 -0.294 -23.194 333 HH22 ARG 49 HH12 ARG 49 -7.621 0.811 -23.733 334 H GLU 50 HN GLU 50 -4.944 -5.289 -21.100 335 HA GLU 50 HA GLU 50 -3.073 -4.950 -23.099 336 HB2 GLU 50 HB2 GLU 50 -2.860 -4.053 -20.798 337 HB3 GLU 50 HB1 GLU 50 -2.512 -5.681 -20.213 338 HG2 GLU 50 HG2 GLU 50 -0.532 -5.803 -21.642 339 HG3 GLU 50 HG1 GLU 50 -0.897 -4.216 -22.314 340 H VAL 51 HN VAL 51 -3.558 -7.784 -21.012 341 HA VAL 51 HA VAL 51 -1.430 -9.276 -22.240 342 HB VAL 51 HB VAL 51 -2.417 -11.194 -20.930 343 HG11 VAL 51 HG11 VAL 51 -0.749 -9.446 -20.039 344 HG12 VAL 51 HG12 VAL 51 -1.646 -10.375 -18.845 345 HG13 VAL 51 HG13 VAL 51 -2.127 -8.720 -19.219 346 HG21 VAL 51 HG21 VAL 51 -4.241 -10.681 -19.370 347 HG22 VAL 51 HG22 VAL 51 -4.767 -10.394 -21.026 348 HG23 VAL 51 HG23 VAL 51 -4.328 -9.034 -19.992 349 H GLY 52 HN GLY 52 -4.474 -8.428 -23.273 350 HA2 GLY 52 HA2 GLY 52 -5.512 -8.980 -25.280 351 HA3 GLY 52 HA1 GLY 52 -4.353 -10.290 -25.489 352 H TYR 53 HN TYR 53 -5.076 -11.083 -22.612 353 HA TYR 53 HA TYR 53 -7.404 -12.737 -23.345 354 HB2 TYR 53 HB2 TYR 53 -5.311 -13.010 -21.180 355 HB3 TYR 53 HB1 TYR 53 -6.711 -14.071 -21.335 356 HD1 TYR 53 HD2 TYR 53 -7.021 -15.409 -23.459 357 HD2 TYR 53 HD1 TYR 53 -3.397 -13.278 -22.577 358 HE1 TYR 53 HE2 TYR 53 -5.819 -16.747 -25.165 359 HE2 TYR 53 HE1 TYR 53 -2.195 -14.616 -24.283 360 HH TYR 53 HH TYR 53 -3.144 -15.964 -26.563 361 H LEU 54 HN LEU 54 -9.289 -11.969 -22.708 362 HA LEU 54 HA LEU 54 -9.518 -10.257 -20.354 363 HB2 LEU 54 HB2 LEU 54 -11.666 -11.043 -22.324 364 HB3 LEU 54 HB1 LEU 54 -11.735 -9.756 -21.138 365 HG LEU 54 HG LEU 54 -9.510 -9.737 -23.179 366 HD11 LEU 54 HD11 LEU 54 -12.376 -8.887 -23.642 367 HD12 LEU 54 HD12 LEU 54 -11.432 -10.042 -24.581 368 HD13 LEU 54 HD13 LEU 54 -11.022 -8.327 -24.627 369 HD21 LEU 54 HD21 LEU 54 -9.832 -7.267 -22.884 370 HD22 LEU 54 HD22 LEU 54 -9.432 -8.091 -21.381 371 HD23 LEU 54 HD23 LEU 54 -11.096 -7.605 -21.702 372 HA PRO 55 HA PRO 55 -12.439 -14.176 -19.619 373 HB2 PRO 55 HB2 PRO 55 -10.375 -16.171 -20.483 374 HB3 PRO 55 HB1 PRO 55 -12.140 -16.231 -20.660 375 HG2 PRO 55 HG2 PRO 55 -10.578 -15.712 -22.749 376 HG3 PRO 55 HG1 PRO 55 -12.125 -14.863 -22.535 377 HD2 PRO 55 HD2 PRO 55 -9.342 -13.881 -22.018 378 HD3 PRO 55 HD1 PRO 55 -10.735 -13.010 -22.689 Start of MODEL 2 1 H1 ALA 9 HT1 ALA 9 4.372 -14.752 -23.802 2 H2 ALA 9 HT2 ALA 9 3.708 -15.663 -25.072 3 H3 ALA 9 HT3 ALA 9 3.591 -16.222 -23.472 4 HA ALA 9 HA ALA 9 2.367 -13.684 -24.387 5 HB1 ALA 9 HB1 ALA 9 1.449 -15.661 -25.618 6 HB2 ALA 9 HB2 ALA 9 0.261 -14.894 -24.565 7 HB3 ALA 9 HB3 ALA 9 1.043 -16.394 -24.066 8 H ALA 10 HN ALA 10 0.922 -12.831 -22.812 9 HA ALA 10 HA ALA 10 1.687 -13.473 -20.079 10 HB1 ALA 10 HB1 ALA 10 -0.119 -11.342 -21.233 11 HB2 ALA 10 HB2 ALA 10 1.543 -11.132 -20.679 12 HB3 ALA 10 HB3 ALA 10 0.268 -11.503 -19.519 13 H THR 11 HN THR 11 -0.158 -13.438 -18.420 14 HA THR 11 HA THR 11 -2.580 -14.793 -19.381 15 HB THR 11 HB THR 11 -0.881 -15.918 -17.142 16 HG1 THR 11 HG1 THR 11 -0.310 -17.487 -18.625 17 HG21 THR 11 HG21 THR 11 -3.271 -17.037 -18.633 18 HG22 THR 11 HG22 THR 11 -3.334 -16.322 -17.024 19 HG23 THR 11 HG23 THR 11 -2.422 -17.806 -17.293 20 H MET 12 HN MET 12 -4.355 -14.582 -18.014 21 HA MET 12 HA MET 12 -4.594 -12.234 -16.541 22 HB2 MET 12 HB2 MET 12 -6.177 -14.803 -16.523 23 HB3 MET 12 HB1 MET 12 -6.623 -13.435 -15.504 24 HG2 MET 12 HG2 MET 12 -6.813 -11.987 -17.462 25 HG3 MET 12 HG1 MET 12 -6.265 -13.293 -18.507 26 HE1 MET 12 HE1 MET 12 -8.549 -12.171 -15.864 27 HE2 MET 12 HE2 MET 12 -10.127 -12.894 -16.150 28 HE3 MET 12 HE3 MET 12 -9.567 -11.582 -17.183 29 H LYS 13 HN LYS 13 -3.673 -15.475 -15.488 30 HA LYS 13 HA LYS 13 -3.798 -15.053 -12.707 31 HB2 LYS 13 HB2 LYS 13 -3.564 -17.283 -13.764 32 HB3 LYS 13 HB1 LYS 13 -1.921 -16.858 -14.246 33 HG2 LYS 13 HG2 LYS 13 -1.249 -16.605 -11.925 34 HG3 LYS 13 HG1 LYS 13 -2.906 -16.858 -11.381 35 HD2 LYS 13 HD2 LYS 13 -1.609 -18.931 -11.133 36 HD3 LYS 13 HD1 LYS 13 -2.865 -19.140 -12.356 37 HE2 LYS 13 HE2 LYS 13 -0.152 -18.199 -13.237 38 HE3 LYS 13 HE1 LYS 13 -0.374 -19.903 -12.849 39 HZ1 LYS 13 HZ1 LYS 13 -1.188 -18.501 -15.151 40 HZ2 LYS 13 HZ2 LYS 13 -2.560 -19.130 -14.373 41 HZ3 LYS 13 HZ3 LYS 13 -1.291 -20.162 -14.829 42 H ASP 14 HN ASP 14 -1.083 -14.712 -15.009 43 HA ASP 14 HA ASP 14 0.862 -13.933 -13.182 44 HB2 ASP 14 HB2 ASP 14 1.356 -14.539 -15.519 45 HB3 ASP 14 HB1 ASP 14 0.542 -13.072 -16.065 46 H VAL 15 HN VAL 15 -1.576 -12.029 -14.914 47 HA VAL 15 HA VAL 15 -0.670 -9.475 -14.235 48 HB VAL 15 HB VAL 15 -3.458 -10.538 -14.725 49 HG11 VAL 15 HG11 VAL 15 -3.944 -8.052 -15.146 50 HG12 VAL 15 HG12 VAL 15 -2.460 -7.725 -14.252 51 HG13 VAL 15 HG13 VAL 15 -3.802 -8.552 -13.462 52 HG21 VAL 15 HG21 VAL 15 -1.646 -10.528 -16.554 53 HG22 VAL 15 HG22 VAL 15 -1.737 -8.769 -16.474 54 HG23 VAL 15 HG23 VAL 15 -3.159 -9.706 -16.936 55 H ALA 16 HN ALA 16 -2.810 -11.697 -12.490 56 HA ALA 16 HA ALA 16 -3.631 -10.054 -10.406 57 HB1 ALA 16 HB1 ALA 16 -4.146 -12.027 -9.206 58 HB2 ALA 16 HB2 ALA 16 -2.852 -12.938 -9.988 59 HB3 ALA 16 HB3 ALA 16 -4.289 -12.486 -10.901 60 H LEU 17 HN LEU 17 -0.612 -11.855 -10.785 61 HA LEU 17 HA LEU 17 0.443 -11.391 -8.221 62 HB2 LEU 17 HB2 LEU 17 1.378 -13.016 -9.864 63 HB3 LEU 17 HB1 LEU 17 1.975 -11.663 -10.819 64 HG LEU 17 HG LEU 17 3.273 -10.880 -8.822 65 HD11 LEU 17 HD11 LEU 17 3.572 -12.939 -7.134 66 HD12 LEU 17 HD12 LEU 17 1.925 -13.293 -7.646 67 HD13 LEU 17 HD13 LEU 17 2.307 -11.740 -6.902 68 HD21 LEU 17 HD21 LEU 17 3.832 -13.737 -9.681 69 HD22 LEU 17 HD22 LEU 17 5.005 -12.619 -8.986 70 HD23 LEU 17 HD23 LEU 17 4.314 -12.296 -10.577 71 H LYS 18 HN LYS 18 0.714 -9.529 -11.228 72 HA LYS 18 HA LYS 18 2.436 -7.522 -10.200 73 HB2 LYS 18 HB2 LYS 18 2.072 -7.934 -12.622 74 HB3 LYS 18 HB1 LYS 18 0.434 -7.299 -12.459 75 HG2 LYS 18 HG2 LYS 18 1.320 -5.137 -11.706 76 HG3 LYS 18 HG1 LYS 18 2.968 -5.764 -11.798 77 HD2 LYS 18 HD2 LYS 18 2.680 -6.149 -14.223 78 HD3 LYS 18 HD1 LYS 18 1.042 -5.504 -14.128 79 HE2 LYS 18 HE2 LYS 18 1.943 -3.344 -13.330 80 HE3 LYS 18 HE1 LYS 18 3.580 -3.989 -13.444 81 HZ1 LYS 18 HZ1 LYS 18 2.596 -4.535 -15.878 82 HZ2 LYS 18 HZ2 LYS 18 3.504 -3.150 -15.500 83 HZ3 LYS 18 HZ3 LYS 18 1.808 -3.074 -15.532 84 H ALA 19 HN ALA 19 -1.081 -7.820 -10.398 85 HA ALA 19 HA ALA 19 -1.415 -5.235 -9.031 86 HB1 ALA 19 HB1 ALA 19 -2.999 -5.300 -10.711 87 HB2 ALA 19 HB2 ALA 19 -3.935 -6.000 -9.392 88 HB3 ALA 19 HB3 ALA 19 -3.193 -7.046 -10.605 89 H LYS 20 HN LYS 20 -0.590 -8.108 -7.986 90 HA LYS 20 HA LYS 20 -1.158 -9.489 -6.189 91 HB2 LYS 20 HB2 LYS 20 -1.042 -8.178 -4.071 92 HB3 LYS 20 HB1 LYS 20 0.253 -7.782 -5.203 93 HG2 LYS 20 HG2 LYS 20 -0.900 -5.775 -5.921 94 HG3 LYS 20 HG1 LYS 20 -2.331 -6.205 -4.982 95 HD2 LYS 20 HD2 LYS 20 -1.036 -6.017 -2.907 96 HD3 LYS 20 HD1 LYS 20 0.412 -5.625 -3.835 97 HE2 LYS 20 HE2 LYS 20 -0.445 -3.520 -3.153 98 HE3 LYS 20 HE1 LYS 20 -0.959 -3.686 -4.831 99 HZ1 LYS 20 HZ1 LYS 20 -3.093 -3.771 -4.239 100 HZ2 LYS 20 HZ2 LYS 20 -2.588 -3.160 -2.735 101 HZ3 LYS 20 HZ3 LYS 20 -2.802 -4.832 -2.949 102 H VAL 21 HN VAL 21 -3.454 -9.164 -7.665 103 HA VAL 21 HA VAL 21 -5.644 -8.115 -6.180 104 HB VAL 21 HB VAL 21 -5.637 -10.227 -8.346 105 HG11 VAL 21 HG11 VAL 21 -7.805 -8.455 -7.193 106 HG12 VAL 21 HG12 VAL 21 -7.743 -10.214 -7.154 107 HG13 VAL 21 HG13 VAL 21 -7.981 -9.374 -8.686 108 HG21 VAL 21 HG21 VAL 21 -5.772 -7.202 -8.408 109 HG22 VAL 21 HG22 VAL 21 -6.276 -8.209 -9.767 110 HG23 VAL 21 HG23 VAL 21 -4.603 -8.247 -9.212 111 H SER 22 HN SER 22 -5.345 -11.527 -7.083 112 HA SER 22 HA SER 22 -5.057 -12.715 -4.611 113 HB2 SER 22 HB2 SER 22 -6.956 -11.890 -3.589 114 HB3 SER 22 HB1 SER 22 -7.815 -11.704 -5.113 115 HG SER 22 HG SER 22 -8.533 -13.467 -3.719 116 H THR 23 HN THR 23 -4.819 -14.847 -4.921 117 HA THR 23 HA THR 23 -5.057 -15.958 -7.513 118 HB THR 23 HB THR 23 -4.800 -17.474 -4.908 119 HG1 THR 23 HG1 THR 23 -3.198 -15.650 -5.984 120 HG21 THR 23 HG21 THR 23 -3.952 -18.068 -7.757 121 HG22 THR 23 HG22 THR 23 -5.243 -18.874 -6.865 122 HG23 THR 23 HG23 THR 23 -3.565 -19.072 -6.360 123 H ALA 24 HN ALA 24 -7.205 -15.853 -4.762 124 HA ALA 24 HA ALA 24 -8.927 -17.961 -5.685 125 HB1 ALA 24 HB1 ALA 24 -9.475 -15.818 -3.629 126 HB2 ALA 24 HB2 ALA 24 -8.688 -17.359 -3.287 127 HB3 ALA 24 HB3 ALA 24 -10.362 -17.327 -3.842 128 H THR 25 HN THR 25 -8.994 -14.435 -5.686 129 HA THR 25 HA THR 25 -11.567 -14.030 -6.711 130 HB THR 25 HB THR 25 -10.632 -11.872 -7.612 131 HG1 THR 25 HG1 THR 25 -8.559 -12.513 -8.091 132 HG21 THR 25 HG21 THR 25 -10.037 -10.996 -5.361 133 HG22 THR 25 HG22 THR 25 -9.922 -12.656 -4.772 134 HG23 THR 25 HG23 THR 25 -11.472 -12.019 -5.321 135 H VAL 26 HN VAL 26 -8.562 -13.815 -8.635 136 HA VAL 26 HA VAL 26 -9.806 -13.874 -11.127 137 HB VAL 26 HB VAL 26 -7.038 -14.717 -10.250 138 HG11 VAL 26 HG11 VAL 26 -7.384 -15.950 -12.262 139 HG12 VAL 26 HG12 VAL 26 -6.536 -14.488 -12.764 140 HG13 VAL 26 HG13 VAL 26 -8.276 -14.625 -13.010 141 HG21 VAL 26 HG21 VAL 26 -8.237 -12.261 -11.552 142 HG22 VAL 26 HG22 VAL 26 -6.507 -12.577 -11.555 143 HG23 VAL 26 HG23 VAL 26 -7.359 -12.361 -10.028 144 H SER 27 HN SER 27 -8.941 -16.471 -8.963 145 HA SER 27 HA SER 27 -9.209 -18.586 -10.871 146 HB2 SER 27 HB2 SER 27 -9.171 -18.502 -7.870 147 HB3 SER 27 HB1 SER 27 -9.420 -20.000 -8.745 148 HG SER 27 HG SER 27 -7.292 -19.963 -8.686 149 H ARG 28 HN ARG 28 -11.359 -17.124 -8.463 150 HA ARG 28 HA ARG 28 -13.551 -18.903 -9.143 151 HB2 ARG 28 HB2 ARG 28 -13.371 -16.483 -7.337 152 HB3 ARG 28 HB1 ARG 28 -14.829 -17.453 -7.550 153 HG2 ARG 28 HG2 ARG 28 -13.652 -19.450 -6.756 154 HG3 ARG 28 HG1 ARG 28 -12.156 -18.525 -6.603 155 HD2 ARG 28 HD2 ARG 28 -13.213 -18.699 -4.413 156 HD3 ARG 28 HD1 ARG 28 -13.289 -17.028 -4.964 157 HE ARG 28 HE ARG 28 -15.645 -18.390 -5.758 158 HH11 ARG 28 HH21 ARG 28 -13.990 -17.177 -2.972 159 HH12 ARG 28 HH22 ARG 28 -15.437 -16.891 -2.066 160 HH21 ARG 28 HH11 ARG 28 -17.547 -18.017 -4.576 161 HH22 ARG 28 HH12 ARG 28 -17.451 -17.366 -2.974 162 H ALA 29 HN ALA 29 -12.296 -15.906 -10.232 163 HA ALA 29 HA ALA 29 -14.486 -14.460 -11.051 164 HB1 ALA 29 HB1 ALA 29 -12.336 -13.513 -11.403 165 HB2 ALA 29 HB2 ALA 29 -13.013 -13.753 -13.014 166 HB3 ALA 29 HB3 ALA 29 -11.814 -14.882 -12.386 167 H LEU 30 HN LEU 30 -12.869 -17.064 -12.868 168 HA LEU 30 HA LEU 30 -14.503 -17.062 -15.118 169 HB2 LEU 30 HB2 LEU 30 -13.352 -19.549 -13.844 170 HB3 LEU 30 HB1 LEU 30 -13.688 -19.268 -15.553 171 HG LEU 30 HG LEU 30 -11.626 -17.798 -13.884 172 HD11 LEU 30 HD11 LEU 30 -11.334 -19.766 -16.174 173 HD12 LEU 30 HD12 LEU 30 -10.971 -20.103 -14.481 174 HD13 LEU 30 HD13 LEU 30 -10.010 -18.923 -15.371 175 HD21 LEU 30 HD21 LEU 30 -12.375 -16.221 -15.469 176 HD22 LEU 30 HD22 LEU 30 -12.642 -17.453 -16.705 177 HD23 LEU 30 HD23 LEU 30 -11.002 -16.971 -16.274 178 H MET 31 HN MET 31 -15.437 -17.580 -11.971 179 HA MET 31 HA MET 31 -17.825 -19.123 -12.826 180 HB2 MET 31 HB2 MET 31 -16.372 -19.186 -10.170 181 HB3 MET 31 HB1 MET 31 -17.913 -19.975 -10.493 182 HG2 MET 31 HG2 MET 31 -15.379 -20.502 -12.069 183 HG3 MET 31 HG1 MET 31 -15.935 -21.507 -10.730 184 HE1 MET 31 HE1 MET 31 -19.065 -23.174 -11.798 185 HE2 MET 31 HE2 MET 31 -18.299 -22.249 -10.512 186 HE3 MET 31 HE3 MET 31 -17.468 -23.638 -11.199 187 H ASN 32 HN ASN 32 -16.547 -16.594 -10.706 188 HA ASN 32 HA ASN 32 -19.109 -15.216 -10.832 189 HB2 ASN 32 HB2 ASN 32 -17.903 -16.110 -8.222 190 HB3 ASN 32 HB1 ASN 32 -19.216 -14.944 -8.376 191 HD21 ASN 32 HD21 ASN 32 -18.370 -18.366 -8.801 192 HD22 ASN 32 HD22 ASN 32 -19.970 -18.916 -8.943 193 HA PRO 33 HA PRO 33 -15.481 -12.389 -10.806 194 HB2 PRO 33 HB2 PRO 33 -16.193 -10.920 -12.985 195 HB3 PRO 33 HB1 PRO 33 -15.355 -12.475 -13.115 196 HG2 PRO 33 HG2 PRO 33 -18.217 -11.825 -13.565 197 HG3 PRO 33 HG1 PRO 33 -17.190 -13.023 -14.369 198 HD2 PRO 33 HD2 PRO 33 -19.054 -13.569 -12.342 199 HD3 PRO 33 HD1 PRO 33 -17.751 -14.664 -12.852 200 H ASP 34 HN ASP 34 -16.888 -11.841 -8.802 201 HA ASP 34 HA ASP 34 -17.683 -9.041 -9.062 202 HB2 ASP 34 HB2 ASP 34 -19.826 -9.393 -7.911 203 HB3 ASP 34 HB1 ASP 34 -19.785 -10.240 -9.457 204 H LYS 35 HN LYS 35 -15.719 -11.017 -7.663 205 HA LYS 35 HA LYS 35 -16.194 -10.201 -4.869 206 HB2 LYS 35 HB2 LYS 35 -14.142 -12.135 -5.969 207 HB3 LYS 35 HB1 LYS 35 -14.568 -11.887 -4.277 208 HG2 LYS 35 HG2 LYS 35 -16.493 -12.858 -6.406 209 HG3 LYS 35 HG1 LYS 35 -15.667 -13.904 -5.250 210 HD2 LYS 35 HD2 LYS 35 -16.695 -12.359 -3.434 211 HD3 LYS 35 HD1 LYS 35 -17.772 -11.807 -4.719 212 HE2 LYS 35 HE2 LYS 35 -18.509 -14.107 -5.124 213 HE3 LYS 35 HE1 LYS 35 -17.414 -14.689 -3.870 214 HZ1 LYS 35 HZ1 LYS 35 -19.689 -14.410 -3.058 215 HZ2 LYS 35 HZ2 LYS 35 -19.628 -12.756 -3.443 216 HZ3 LYS 35 HZ3 LYS 35 -18.604 -13.391 -2.244 217 H VAL 36 HN VAL 36 -14.448 -9.294 -7.608 218 HA VAL 36 HA VAL 36 -12.068 -8.354 -6.313 219 HB VAL 36 HB VAL 36 -13.264 -7.672 -9.006 220 HG11 VAL 36 HG11 VAL 36 -11.770 -5.900 -8.393 221 HG12 VAL 36 HG12 VAL 36 -10.864 -6.962 -9.472 222 HG13 VAL 36 HG13 VAL 36 -10.597 -7.037 -7.729 223 HG21 VAL 36 HG21 VAL 36 -12.689 -10.001 -8.932 224 HG22 VAL 36 HG22 VAL 36 -11.189 -9.664 -8.069 225 HG23 VAL 36 HG23 VAL 36 -11.357 -9.192 -9.757 226 H SER 37 HN SER 37 -11.578 -6.307 -5.619 227 HA SER 37 HA SER 37 -13.658 -4.673 -4.641 228 HB2 SER 37 HB2 SER 37 -11.416 -4.714 -3.632 229 HB3 SER 37 HB1 SER 37 -10.744 -3.982 -5.088 230 HG SER 37 HG SER 37 -11.225 -2.447 -3.436 231 H GLN 38 HN GLN 38 -14.452 -2.696 -5.331 232 HA GLN 38 HA GLN 38 -14.975 -2.292 -7.997 233 HB2 GLN 38 HB2 GLN 38 -14.787 -0.301 -5.732 234 HB3 GLN 38 HB1 GLN 38 -15.349 0.147 -7.343 235 HG2 GLN 38 HG2 GLN 38 -17.137 -1.526 -7.212 236 HG3 GLN 38 HG1 GLN 38 -16.560 -2.048 -5.632 237 HE21 GLN 38 HE21 GLN 38 -19.053 -1.306 -5.344 238 HE22 GLN 38 HE22 GLN 38 -19.237 0.289 -4.794 239 H ALA 39 HN ALA 39 -12.395 -0.740 -6.103 240 HA ALA 39 HA ALA 39 -11.268 0.721 -8.248 241 HB1 ALA 39 HB1 ALA 39 -9.294 0.938 -6.815 242 HB2 ALA 39 HB2 ALA 39 -9.864 -0.383 -5.793 243 HB3 ALA 39 HB3 ALA 39 -10.755 1.140 -5.847 244 H THR 40 HN THR 40 -10.231 -2.383 -6.805 245 HA THR 40 HA THR 40 -8.238 -2.920 -8.733 246 HB THR 40 HB THR 40 -9.797 -4.874 -7.025 247 HG1 THR 40 HG1 THR 40 -7.439 -4.500 -6.054 248 HG21 THR 40 HG21 THR 40 -8.655 -6.140 -8.667 249 HG22 THR 40 HG22 THR 40 -7.558 -6.138 -7.287 250 HG23 THR 40 HG23 THR 40 -7.258 -5.065 -8.650 251 H ARG 41 HN ARG 41 -11.660 -3.198 -8.801 252 HA ARG 41 HA ARG 41 -11.901 -5.258 -10.755 253 HB2 ARG 41 HB2 ARG 41 -13.761 -4.588 -9.262 254 HB3 ARG 41 HB1 ARG 41 -13.847 -3.042 -10.098 255 HG2 ARG 41 HG2 ARG 41 -14.387 -4.137 -12.193 256 HG3 ARG 41 HG1 ARG 41 -14.161 -5.724 -11.456 257 HD2 ARG 41 HD2 ARG 41 -16.541 -5.228 -11.533 258 HD3 ARG 41 HD1 ARG 41 -16.003 -5.197 -9.857 259 HE ARG 41 HE ARG 41 -15.844 -2.589 -10.972 260 HH11 ARG 41 HH21 ARG 41 -18.081 -4.996 -9.887 261 HH12 ARG 41 HH22 ARG 41 -19.302 -3.855 -9.435 262 HH21 ARG 41 HH11 ARG 41 -17.441 -1.086 -10.382 263 HH22 ARG 41 HH12 ARG 41 -18.941 -1.641 -9.716 264 H ASN 42 HN ASN 42 -11.786 -1.723 -10.913 265 HA ASN 42 HA ASN 42 -12.145 -1.605 -13.749 266 HB2 ASN 42 HB2 ASN 42 -11.186 0.373 -11.682 267 HB3 ASN 42 HB1 ASN 42 -11.219 0.767 -13.400 268 HD21 ASN 42 HD21 ASN 42 -12.896 2.025 -11.326 269 HD22 ASN 42 HD22 ASN 42 -14.507 1.682 -11.738 270 H ARG 43 HN ARG 43 -9.333 -1.559 -11.598 271 HA ARG 43 HA ARG 43 -7.385 -0.977 -13.520 272 HB2 ARG 43 HB2 ARG 43 -7.000 -0.912 -11.068 273 HB3 ARG 43 HB1 ARG 43 -7.081 -2.673 -11.029 274 HG2 ARG 43 HG2 ARG 43 -5.160 -2.828 -12.539 275 HG3 ARG 43 HG1 ARG 43 -5.100 -1.070 -12.674 276 HD2 ARG 43 HD2 ARG 43 -4.795 -2.594 -10.072 277 HD3 ARG 43 HD1 ARG 43 -3.447 -1.995 -11.034 278 HE ARG 43 HE ARG 43 -5.162 0.167 -10.559 279 HH11 ARG 43 HH21 ARG 43 -3.163 -2.062 -8.824 280 HH12 ARG 43 HH22 ARG 43 -2.805 -0.955 -7.541 281 HH21 ARG 43 HH11 ARG 43 -4.697 1.624 -8.879 282 HH22 ARG 43 HH12 ARG 43 -3.673 1.131 -7.572 283 H VAL 44 HN VAL 44 -8.470 -4.123 -12.260 284 HA VAL 44 HA VAL 44 -6.786 -5.722 -13.819 285 HB VAL 44 HB VAL 44 -8.058 -6.583 -11.899 286 HG11 VAL 44 HG11 VAL 44 -10.123 -5.261 -12.514 287 HG12 VAL 44 HG12 VAL 44 -10.428 -6.904 -11.996 288 HG13 VAL 44 HG13 VAL 44 -10.483 -6.496 -13.707 289 HG21 VAL 44 HG21 VAL 44 -7.253 -8.098 -13.746 290 HG22 VAL 44 HG22 VAL 44 -8.860 -7.988 -14.464 291 HG23 VAL 44 HG23 VAL 44 -8.654 -8.721 -12.874 292 H GLU 45 HN GLU 45 -10.062 -4.529 -14.468 293 HA GLU 45 HA GLU 45 -10.607 -5.847 -16.840 294 HB2 GLU 45 HB2 GLU 45 -11.323 -3.094 -15.837 295 HB3 GLU 45 HB1 GLU 45 -11.868 -3.650 -17.420 296 HG2 GLU 45 HG2 GLU 45 -13.038 -5.513 -16.455 297 HG3 GLU 45 HG1 GLU 45 -12.323 -5.224 -14.875 298 H LYS 46 HN LYS 46 -8.806 -2.817 -16.383 299 HA LYS 46 HA LYS 46 -8.244 -2.442 -19.154 300 HB2 LYS 46 HB2 LYS 46 -8.149 -0.703 -17.263 301 HB3 LYS 46 HB1 LYS 46 -6.566 -1.379 -16.881 302 HG2 LYS 46 HG2 LYS 46 -5.922 0.263 -18.396 303 HG3 LYS 46 HG1 LYS 46 -6.180 -1.078 -19.509 304 HD2 LYS 46 HD2 LYS 46 -7.444 0.576 -20.548 305 HD3 LYS 46 HD1 LYS 46 -8.678 -0.176 -19.538 306 HE2 LYS 46 HE2 LYS 46 -8.308 1.531 -17.796 307 HE3 LYS 46 HE1 LYS 46 -7.055 2.274 -18.786 308 HZ1 LYS 46 HZ1 LYS 46 -8.639 2.815 -20.444 309 HZ2 LYS 46 HZ2 LYS 46 -9.278 3.332 -18.957 310 HZ3 LYS 46 HZ3 LYS 46 -9.855 1.909 -19.684 311 H ALA 47 HN ALA 47 -6.579 -4.055 -16.509 312 HA ALA 47 HA ALA 47 -4.162 -4.547 -17.968 313 HB1 ALA 47 HB1 ALA 47 -3.544 -5.957 -16.108 314 HB2 ALA 47 HB2 ALA 47 -5.215 -6.018 -15.545 315 HB3 ALA 47 HB3 ALA 47 -4.314 -4.504 -15.470 316 H ALA 48 HN ALA 48 -7.269 -6.029 -17.819 317 HA ALA 48 HA ALA 48 -6.514 -8.667 -18.601 318 HB1 ALA 48 HB1 ALA 48 -8.793 -7.656 -17.644 319 HB2 ALA 48 HB2 ALA 48 -8.771 -9.121 -18.619 320 HB3 ALA 48 HB3 ALA 48 -9.192 -7.576 -19.359 321 H ARG 49 HN ARG 49 -7.406 -5.737 -20.353 322 HA ARG 49 HA ARG 49 -7.509 -6.954 -22.931 323 HB2 ARG 49 HB2 ARG 49 -8.611 -4.796 -22.403 324 HB3 ARG 49 HB1 ARG 49 -7.020 -4.056 -22.214 325 HG2 ARG 49 HG2 ARG 49 -6.468 -4.629 -24.552 326 HG3 ARG 49 HG1 ARG 49 -8.052 -5.380 -24.743 327 HD2 ARG 49 HD2 ARG 49 -9.141 -3.226 -24.278 328 HD3 ARG 49 HD1 ARG 49 -7.566 -2.470 -24.048 329 HE ARG 49 HE ARG 49 -7.826 -3.749 -26.616 330 HH11 ARG 49 HH21 ARG 49 -8.502 -0.924 -24.735 331 HH12 ARG 49 HH22 ARG 49 -8.565 0.139 -26.100 332 HH21 ARG 49 HH11 ARG 49 -7.906 -2.359 -28.413 333 HH22 ARG 49 HH12 ARG 49 -8.228 -0.674 -28.183 334 H GLU 50 HN GLU 50 -4.998 -5.356 -21.043 335 HA GLU 50 HA GLU 50 -3.037 -5.023 -22.987 336 HB2 GLU 50 HB2 GLU 50 -2.818 -5.682 -20.048 337 HB3 GLU 50 HB1 GLU 50 -1.412 -5.336 -21.055 338 HG2 GLU 50 HG2 GLU 50 -2.310 -3.137 -21.622 339 HG3 GLU 50 HG1 GLU 50 -3.789 -3.476 -20.728 340 H VAL 51 HN VAL 51 -3.757 -7.883 -21.008 341 HA VAL 51 HA VAL 51 -1.663 -9.454 -22.207 342 HB VAL 51 HB VAL 51 -2.748 -11.335 -20.956 343 HG11 VAL 51 HG11 VAL 51 -2.464 -8.901 -19.192 344 HG12 VAL 51 HG12 VAL 51 -1.073 -9.638 -19.976 345 HG13 VAL 51 HG13 VAL 51 -2.032 -10.574 -18.835 346 HG21 VAL 51 HG21 VAL 51 -4.640 -10.844 -19.509 347 HG22 VAL 51 HG22 VAL 51 -5.070 -10.405 -21.155 348 HG23 VAL 51 HG23 VAL 51 -4.623 -9.151 -20.001 349 H GLY 52 HN GLY 52 -4.484 -8.336 -23.430 350 HA2 GLY 52 HA2 GLY 52 -5.810 -8.923 -25.215 351 HA3 GLY 52 HA1 GLY 52 -4.436 -9.886 -25.745 352 H TYR 53 HN TYR 53 -5.898 -10.526 -22.667 353 HA TYR 53 HA TYR 53 -7.484 -12.749 -23.748 354 HB2 TYR 53 HB2 TYR 53 -5.128 -13.536 -23.164 355 HB3 TYR 53 HB1 TYR 53 -5.536 -13.187 -21.484 356 HD1 TYR 53 HD1 TYR 53 -6.548 -15.172 -24.467 357 HD2 TYR 53 HD2 TYR 53 -6.932 -14.655 -20.225 358 HE1 TYR 53 HE1 TYR 53 -7.738 -17.343 -24.308 359 HE2 TYR 53 HE2 TYR 53 -8.120 -16.821 -20.061 360 HH TYR 53 HH TYR 53 -9.506 -18.343 -22.549 361 H LEU 54 HN LEU 54 -9.454 -12.445 -22.936 362 HA LEU 54 HA LEU 54 -9.791 -12.169 -20.089 363 HB2 LEU 54 HB2 LEU 54 -11.223 -10.135 -20.278 364 HB3 LEU 54 HB1 LEU 54 -9.533 -9.844 -20.664 365 HG LEU 54 HG LEU 54 -10.538 -10.550 -23.137 366 HD11 LEU 54 HD11 LEU 54 -12.642 -9.351 -23.435 367 HD12 LEU 54 HD12 LEU 54 -12.652 -8.896 -21.732 368 HD13 LEU 54 HD13 LEU 54 -12.846 -10.583 -22.194 369 HD21 LEU 54 HD21 LEU 54 -10.591 -8.044 -23.532 370 HD22 LEU 54 HD22 LEU 54 -9.096 -8.670 -22.833 371 HD23 LEU 54 HD23 LEU 54 -10.275 -7.850 -21.807 372 HA PRO 55 HA PRO 55 -13.333 -14.736 -20.634 373 HB2 PRO 55 HB2 PRO 55 -14.843 -12.550 -19.240 374 HB3 PRO 55 HB1 PRO 55 -14.820 -14.293 -18.908 375 HG2 PRO 55 HG2 PRO 55 -13.424 -12.485 -17.439 376 HG3 PRO 55 HG1 PRO 55 -12.914 -14.166 -17.654 377 HD2 PRO 55 HD2 PRO 55 -11.670 -11.727 -18.720 378 HD3 PRO 55 HD1 PRO 55 -11.024 -13.380 -18.654 Start of MODEL 3 1 H1 ALA 9 HT1 ALA 9 3.391 -14.014 -23.770 2 H2 ALA 9 HT2 ALA 9 3.394 -12.514 -24.566 3 H3 ALA 9 HT3 ALA 9 3.044 -13.935 -25.428 4 HA ALA 9 HA ALA 9 1.174 -12.291 -24.505 5 HB1 ALA 9 HB1 ALA 9 0.689 -14.089 -26.023 6 HB2 ALA 9 HB2 ALA 9 -0.334 -14.332 -24.608 7 HB3 ALA 9 HB3 ALA 9 1.124 -15.303 -24.818 8 H ALA 10 HN ALA 10 0.381 -11.657 -22.601 9 HA ALA 10 HA ALA 10 1.226 -12.976 -20.157 10 HB1 ALA 10 HB1 ALA 10 -0.128 -11.110 -19.093 11 HB2 ALA 10 HB2 ALA 10 -0.414 -10.503 -20.724 12 HB3 ALA 10 HB3 ALA 10 1.230 -10.591 -20.090 13 H THR 11 HN THR 11 -0.652 -12.996 -18.398 14 HA THR 11 HA THR 11 -3.107 -14.148 -19.523 15 HB THR 11 HB THR 11 -1.501 -15.579 -17.399 16 HG1 THR 11 HG1 THR 11 -1.015 -15.430 -19.966 17 HG21 THR 11 HG21 THR 11 -3.998 -15.893 -17.480 18 HG22 THR 11 HG22 THR 11 -3.080 -17.371 -17.767 19 HG23 THR 11 HG23 THR 11 -3.812 -16.509 -19.121 20 H MET 12 HN MET 12 -4.895 -14.015 -18.164 21 HA MET 12 HA MET 12 -5.105 -11.859 -16.445 22 HB2 MET 12 HB2 MET 12 -6.717 -14.419 -16.307 23 HB3 MET 12 HB1 MET 12 -7.201 -12.844 -15.679 24 HG2 MET 12 HG2 MET 12 -6.609 -13.445 -18.591 25 HG3 MET 12 HG1 MET 12 -8.222 -13.303 -17.894 26 HE1 MET 12 HE1 MET 12 -9.098 -11.544 -16.710 27 HE2 MET 12 HE2 MET 12 -8.850 -9.831 -17.038 28 HE3 MET 12 HE3 MET 12 -7.874 -10.636 -15.813 29 H LYS 13 HN LYS 13 -4.195 -15.187 -15.724 30 HA LYS 13 HA LYS 13 -4.292 -15.006 -12.904 31 HB2 LYS 13 HB2 LYS 13 -2.730 -16.776 -14.787 32 HB3 LYS 13 HB1 LYS 13 -2.638 -16.942 -13.033 33 HG2 LYS 13 HG2 LYS 13 -5.089 -17.248 -12.938 34 HG3 LYS 13 HG1 LYS 13 -5.172 -17.105 -14.693 35 HD2 LYS 13 HD2 LYS 13 -3.717 -19.079 -14.933 36 HD3 LYS 13 HD1 LYS 13 -3.618 -19.223 -13.177 37 HE2 LYS 13 HE2 LYS 13 -6.184 -19.347 -13.205 38 HE3 LYS 13 HE1 LYS 13 -6.039 -19.604 -14.944 39 HZ1 LYS 13 HZ1 LYS 13 -4.296 -21.237 -13.314 40 HZ2 LYS 13 HZ2 LYS 13 -5.243 -21.662 -14.660 41 HZ3 LYS 13 HZ3 LYS 13 -5.950 -21.558 -13.118 42 H ASP 14 HN ASP 14 -1.679 -14.424 -15.241 43 HA ASP 14 HA ASP 14 0.374 -13.956 -13.375 44 HB2 ASP 14 HB2 ASP 14 -0.089 -13.205 -16.238 45 HB3 ASP 14 HB1 ASP 14 1.261 -12.481 -15.368 46 H VAL 15 HN VAL 15 -2.119 -11.851 -14.713 47 HA VAL 15 HA VAL 15 -1.086 -9.380 -13.865 48 HB VAL 15 HB VAL 15 -3.928 -10.324 -14.284 49 HG11 VAL 15 HG11 VAL 15 -4.139 -8.463 -12.823 50 HG12 VAL 15 HG12 VAL 15 -4.341 -7.788 -14.439 51 HG13 VAL 15 HG13 VAL 15 -2.805 -7.606 -13.594 52 HG21 VAL 15 HG21 VAL 15 -2.238 -8.451 -15.955 53 HG22 VAL 15 HG22 VAL 15 -3.732 -9.265 -16.417 54 HG23 VAL 15 HG23 VAL 15 -2.246 -10.194 -16.217 55 H ALA 16 HN ALA 16 -3.213 -11.705 -12.229 56 HA ALA 16 HA ALA 16 -3.848 -10.273 -9.944 57 HB1 ALA 16 HB1 ALA 16 -4.743 -12.520 -10.501 58 HB2 ALA 16 HB2 ALA 16 -4.153 -12.425 -8.842 59 HB3 ALA 16 HB3 ALA 16 -3.183 -13.224 -10.079 60 H LEU 17 HN LEU 17 -0.934 -12.173 -10.631 61 HA LEU 17 HA LEU 17 0.277 -11.867 -8.097 62 HB2 LEU 17 HB2 LEU 17 0.899 -13.357 -10.214 63 HB3 LEU 17 HB1 LEU 17 1.972 -12.003 -10.554 64 HG LEU 17 HG LEU 17 3.186 -13.617 -9.213 65 HD11 LEU 17 HD11 LEU 17 3.963 -12.169 -7.519 66 HD12 LEU 17 HD12 LEU 17 2.367 -11.473 -7.257 67 HD13 LEU 17 HD13 LEU 17 3.279 -11.070 -8.713 68 HD21 LEU 17 HD21 LEU 17 0.774 -14.309 -8.168 69 HD22 LEU 17 HD22 LEU 17 1.406 -13.324 -6.850 70 HD23 LEU 17 HD23 LEU 17 2.309 -14.730 -7.410 71 H LYS 18 HN LYS 18 0.488 -9.947 -11.071 72 HA LYS 18 HA LYS 18 2.427 -8.106 -10.135 73 HB2 LYS 18 HB2 LYS 18 1.793 -8.412 -12.529 74 HB3 LYS 18 HB1 LYS 18 0.253 -7.623 -12.185 75 HG2 LYS 18 HG2 LYS 18 1.416 -5.589 -11.475 76 HG3 LYS 18 HG1 LYS 18 2.978 -6.373 -11.722 77 HD2 LYS 18 HD2 LYS 18 2.438 -6.662 -14.125 78 HD3 LYS 18 HD1 LYS 18 0.905 -5.828 -13.868 79 HE2 LYS 18 HE2 LYS 18 3.604 -4.605 -13.242 80 HE3 LYS 18 HE1 LYS 18 2.739 -4.344 -14.757 81 HZ1 LYS 18 HZ1 LYS 18 1.150 -3.099 -13.749 82 HZ2 LYS 18 HZ2 LYS 18 2.446 -2.745 -12.709 83 HZ3 LYS 18 HZ3 LYS 18 1.286 -3.901 -12.260 84 H ALA 19 HN ALA 19 -1.107 -8.143 -10.006 85 HA ALA 19 HA ALA 19 -1.143 -5.564 -8.617 86 HB1 ALA 19 HB1 ALA 19 -3.181 -7.316 -9.916 87 HB2 ALA 19 HB2 ALA 19 -2.938 -5.576 -10.061 88 HB3 ALA 19 HB3 ALA 19 -3.715 -6.240 -8.624 89 H LYS 20 HN LYS 20 -0.497 -8.613 -7.722 90 HA LYS 20 HA LYS 20 -0.779 -9.878 -5.802 91 HB2 LYS 20 HB2 LYS 20 -0.575 -7.056 -4.729 92 HB3 LYS 20 HB1 LYS 20 -0.470 -8.500 -3.722 93 HG2 LYS 20 HG2 LYS 20 1.451 -9.295 -5.050 94 HG3 LYS 20 HG1 LYS 20 1.348 -7.855 -6.063 95 HD2 LYS 20 HD2 LYS 20 1.700 -6.451 -4.026 96 HD3 LYS 20 HD1 LYS 20 1.928 -7.927 -3.087 97 HE2 LYS 20 HE2 LYS 20 3.587 -7.196 -5.518 98 HE3 LYS 20 HE1 LYS 20 4.083 -6.881 -3.854 99 HZ1 LYS 20 HZ1 LYS 20 3.762 -9.452 -5.242 100 HZ2 LYS 20 HZ2 LYS 20 3.564 -9.386 -3.556 101 HZ3 LYS 20 HZ3 LYS 20 5.036 -8.913 -4.261 102 H VAL 21 HN VAL 21 -3.226 -9.425 -7.067 103 HA VAL 21 HA VAL 21 -5.216 -8.414 -5.296 104 HB VAL 21 HB VAL 21 -5.610 -10.450 -7.495 105 HG11 VAL 21 HG11 VAL 21 -7.598 -10.170 -6.194 106 HG12 VAL 21 HG12 VAL 21 -7.819 -9.178 -7.635 107 HG13 VAL 21 HG13 VAL 21 -7.375 -8.424 -6.104 108 HG21 VAL 21 HG21 VAL 21 -5.925 -8.522 -8.991 109 HG22 VAL 21 HG22 VAL 21 -4.302 -8.499 -8.302 110 HG23 VAL 21 HG23 VAL 21 -5.544 -7.420 -7.668 111 H SER 22 HN SER 22 -5.039 -11.779 -6.414 112 HA SER 22 HA SER 22 -4.543 -13.117 -4.069 113 HB2 SER 22 HB2 SER 22 -6.282 -12.300 -2.798 114 HB3 SER 22 HB1 SER 22 -7.319 -12.033 -4.195 115 HG SER 22 HG SER 22 -7.908 -14.102 -4.171 116 H THR 23 HN THR 23 -4.540 -15.284 -4.432 117 HA THR 23 HA THR 23 -4.964 -16.250 -7.052 118 HB THR 23 HB THR 23 -4.799 -17.915 -4.534 119 HG1 THR 23 HG1 THR 23 -3.041 -16.638 -4.457 120 HG21 THR 23 HG21 THR 23 -3.971 -18.433 -7.404 121 HG22 THR 23 HG22 THR 23 -5.398 -19.106 -6.615 122 HG23 THR 23 HG23 THR 23 -3.787 -19.558 -6.057 123 H ALA 24 HN ALA 24 -7.024 -16.048 -4.248 124 HA ALA 24 HA ALA 24 -8.976 -17.939 -5.212 125 HB1 ALA 24 HB1 ALA 24 -9.186 -15.853 -3.027 126 HB2 ALA 24 HB2 ALA 24 -8.672 -17.525 -2.801 127 HB3 ALA 24 HB3 ALA 24 -10.322 -17.172 -3.311 128 H THR 25 HN THR 25 -8.634 -14.425 -5.118 129 HA THR 25 HA THR 25 -11.181 -13.708 -6.034 130 HB THR 25 HB THR 25 -9.940 -11.660 -6.974 131 HG1 THR 25 HG1 THR 25 -7.938 -13.192 -6.865 132 HG21 THR 25 HG21 THR 25 -9.750 -12.558 -4.094 133 HG22 THR 25 HG22 THR 25 -10.963 -11.505 -4.824 134 HG23 THR 25 HG23 THR 25 -9.311 -10.929 -4.611 135 H VAL 26 HN VAL 26 -8.216 -13.767 -8.030 136 HA VAL 26 HA VAL 26 -9.455 -13.582 -10.507 137 HB VAL 26 HB VAL 26 -6.973 -13.440 -10.001 138 HG11 VAL 26 HG11 VAL 26 -5.683 -15.417 -9.843 139 HG12 VAL 26 HG12 VAL 26 -7.013 -16.431 -10.404 140 HG13 VAL 26 HG13 VAL 26 -7.064 -15.723 -8.791 141 HG21 VAL 26 HG21 VAL 26 -7.979 -13.555 -12.310 142 HG22 VAL 26 HG22 VAL 26 -7.743 -15.303 -12.270 143 HG23 VAL 26 HG23 VAL 26 -6.351 -14.221 -12.214 144 H SER 27 HN SER 27 -9.038 -16.353 -8.413 145 HA SER 27 HA SER 27 -9.634 -18.363 -10.344 146 HB2 SER 27 HB2 SER 27 -9.758 -18.311 -7.332 147 HB3 SER 27 HB1 SER 27 -10.166 -19.741 -8.271 148 HG SER 27 HG SER 27 -8.120 -20.052 -8.622 149 H ARG 28 HN ARG 28 -11.595 -16.487 -8.071 150 HA ARG 28 HA ARG 28 -14.031 -17.879 -8.540 151 HB2 ARG 28 HB2 ARG 28 -13.388 -15.146 -7.434 152 HB3 ARG 28 HB1 ARG 28 -15.046 -15.726 -7.601 153 HG2 ARG 28 HG2 ARG 28 -14.532 -17.673 -6.200 154 HG3 ARG 28 HG1 ARG 28 -12.854 -17.150 -6.064 155 HD2 ARG 28 HD2 ARG 28 -15.184 -15.432 -5.192 156 HD3 ARG 28 HD1 ARG 28 -14.345 -16.531 -4.102 157 HE ARG 28 HE ARG 28 -12.365 -14.983 -5.259 158 HH11 ARG 28 HH21 ARG 28 -15.249 -14.483 -3.416 159 HH12 ARG 28 HH22 ARG 28 -14.674 -13.042 -2.647 160 HH21 ARG 28 HH11 ARG 28 -11.602 -13.094 -4.255 161 HH22 ARG 28 HH12 ARG 28 -12.610 -12.255 -3.123 162 H ALA 29 HN ALA 29 -12.459 -15.124 -10.071 163 HA ALA 29 HA ALA 29 -14.481 -14.000 -11.545 164 HB1 ALA 29 HB1 ALA 29 -12.133 -13.220 -11.568 165 HB2 ALA 29 HB2 ALA 29 -12.789 -13.386 -13.197 166 HB3 ALA 29 HB3 ALA 29 -11.694 -14.611 -12.557 167 H LEU 30 HN LEU 30 -13.270 -17.198 -11.774 168 HA LEU 30 HA LEU 30 -14.371 -17.609 -14.462 169 HB2 LEU 30 HB2 LEU 30 -12.963 -19.573 -12.638 170 HB3 LEU 30 HB1 LEU 30 -13.343 -19.807 -14.346 171 HG LEU 30 HG LEU 30 -11.531 -17.640 -13.238 172 HD11 LEU 30 HD11 LEU 30 -10.626 -19.989 -13.129 173 HD12 LEU 30 HD12 LEU 30 -9.706 -18.922 -14.187 174 HD13 LEU 30 HD13 LEU 30 -10.829 -20.093 -14.878 175 HD21 LEU 30 HD21 LEU 30 -12.593 -18.318 -15.965 176 HD22 LEU 30 HD22 LEU 30 -10.972 -17.639 -15.826 177 HD23 LEU 30 HD23 LEU 30 -12.360 -16.737 -15.220 178 H MET 31 HN MET 31 -15.044 -18.273 -11.105 179 HA MET 31 HA MET 31 -17.260 -20.066 -11.806 180 HB2 MET 31 HB2 MET 31 -16.047 -19.270 -9.152 181 HB3 MET 31 HB1 MET 31 -17.453 -20.322 -9.315 182 HG2 MET 31 HG2 MET 31 -16.123 -21.883 -10.696 183 HG3 MET 31 HG1 MET 31 -14.714 -20.838 -10.510 184 HE1 MET 31 HE1 MET 31 -14.382 -23.760 -9.828 185 HE2 MET 31 HE2 MET 31 -13.550 -23.671 -8.278 186 HE3 MET 31 HE3 MET 31 -13.164 -22.510 -9.544 187 H ASN 32 HN ASN 32 -16.636 -16.965 -10.200 188 HA ASN 32 HA ASN 32 -19.445 -16.233 -10.690 189 HB2 ASN 32 HB2 ASN 32 -18.070 -16.450 -8.092 190 HB3 ASN 32 HB1 ASN 32 -18.933 -14.934 -8.339 191 HD21 ASN 32 HD21 ASN 32 -19.443 -18.489 -8.658 192 HD22 ASN 32 HD22 ASN 32 -21.090 -18.432 -8.257 193 HA PRO 33 HA PRO 33 -18.232 -12.366 -12.346 194 HB2 PRO 33 HB2 PRO 33 -19.551 -11.074 -9.988 195 HB3 PRO 33 HB1 PRO 33 -19.752 -10.734 -11.717 196 HG2 PRO 33 HG2 PRO 33 -21.549 -12.146 -10.294 197 HG3 PRO 33 HG1 PRO 33 -21.245 -12.432 -12.015 198 HD2 PRO 33 HD2 PRO 33 -20.562 -14.152 -9.711 199 HD3 PRO 33 HD1 PRO 33 -20.669 -14.561 -11.437 200 H ASP 34 HN ASP 34 -16.796 -10.552 -11.983 201 HA ASP 34 HA ASP 34 -14.722 -11.138 -10.067 202 HB2 ASP 34 HB2 ASP 34 -13.595 -9.175 -11.061 203 HB3 ASP 34 HB1 ASP 34 -14.134 -10.319 -12.289 204 H LYS 35 HN LYS 35 -16.286 -10.872 -8.214 205 HA LYS 35 HA LYS 35 -17.193 -8.250 -7.513 206 HB2 LYS 35 HB2 LYS 35 -18.060 -10.567 -6.701 207 HB3 LYS 35 HB1 LYS 35 -16.754 -10.459 -5.520 208 HG2 LYS 35 HG2 LYS 35 -17.622 -8.328 -4.699 209 HG3 LYS 35 HG1 LYS 35 -18.879 -8.336 -5.936 210 HD2 LYS 35 HD2 LYS 35 -19.800 -10.422 -4.980 211 HD3 LYS 35 HD1 LYS 35 -18.560 -10.387 -3.725 212 HE2 LYS 35 HE2 LYS 35 -19.410 -8.232 -2.915 213 HE3 LYS 35 HE1 LYS 35 -20.624 -8.215 -4.194 214 HZ1 LYS 35 HZ1 LYS 35 -21.940 -9.391 -2.882 215 HZ2 LYS 35 HZ2 LYS 35 -20.740 -9.471 -1.681 216 HZ3 LYS 35 HZ3 LYS 35 -20.820 -10.665 -2.888 217 H VAL 36 HN VAL 36 -14.329 -8.505 -8.151 218 HA VAL 36 HA VAL 36 -12.757 -8.354 -5.804 219 HB VAL 36 HB VAL 36 -11.032 -7.420 -7.239 220 HG11 VAL 36 HG11 VAL 36 -11.051 -9.140 -9.038 221 HG12 VAL 36 HG12 VAL 36 -12.737 -9.491 -8.658 222 HG13 VAL 36 HG13 VAL 36 -11.478 -9.818 -7.467 223 HG21 VAL 36 HG21 VAL 36 -12.131 -5.765 -8.516 224 HG22 VAL 36 HG22 VAL 36 -13.389 -6.882 -9.047 225 HG23 VAL 36 HG23 VAL 36 -11.757 -7.015 -9.702 226 H SER 37 HN SER 37 -11.418 -6.210 -5.466 227 HA SER 37 HA SER 37 -13.197 -4.324 -4.332 228 HB2 SER 37 HB2 SER 37 -10.229 -4.328 -4.829 229 HB3 SER 37 HB1 SER 37 -11.042 -2.931 -4.132 230 HG SER 37 HG SER 37 -10.326 -5.237 -2.966 231 H GLN 38 HN GLN 38 -13.728 -2.233 -4.951 232 HA GLN 38 HA GLN 38 -14.331 -1.709 -7.583 233 HB2 GLN 38 HB2 GLN 38 -13.757 0.174 -5.295 234 HB3 GLN 38 HB1 GLN 38 -14.308 0.744 -6.871 235 HG2 GLN 38 HG2 GLN 38 -16.296 -0.713 -6.699 236 HG3 GLN 38 HG1 GLN 38 -15.753 -1.263 -5.116 237 HE21 GLN 38 HE21 GLN 38 -17.083 -0.261 -3.595 238 HE22 GLN 38 HE22 GLN 38 -17.482 1.389 -3.598 239 H ALA 39 HN ALA 39 -11.429 -0.679 -5.805 240 HA ALA 39 HA ALA 39 -10.208 0.714 -7.939 241 HB1 ALA 39 HB1 ALA 39 -8.114 0.426 -6.641 242 HB2 ALA 39 HB2 ALA 39 -8.945 -0.713 -5.582 243 HB3 ALA 39 HB3 ALA 39 -9.450 0.976 -5.630 244 H THR 40 HN THR 40 -9.570 -2.585 -6.718 245 HA THR 40 HA THR 40 -7.821 -3.332 -8.798 246 HB THR 40 HB THR 40 -9.601 -5.046 -7.048 247 HG1 THR 40 HG1 THR 40 -7.954 -5.013 -5.684 248 HG21 THR 40 HG21 THR 40 -7.790 -6.772 -7.633 249 HG22 THR 40 HG22 THR 40 -7.358 -5.698 -8.962 250 HG23 THR 40 HG23 THR 40 -8.973 -6.407 -8.887 251 H ARG 41 HN ARG 41 -11.272 -3.113 -8.633 252 HA ARG 41 HA ARG 41 -11.941 -4.933 -10.702 253 HB2 ARG 41 HB2 ARG 41 -13.580 -4.021 -9.074 254 HB3 ARG 41 HB1 ARG 41 -13.428 -2.442 -9.842 255 HG2 ARG 41 HG2 ARG 41 -14.219 -3.361 -11.968 256 HG3 ARG 41 HG1 ARG 41 -14.310 -4.972 -11.255 257 HD2 ARG 41 HD2 ARG 41 -15.935 -4.055 -9.569 258 HD3 ARG 41 HD1 ARG 41 -15.935 -2.541 -10.468 259 HE ARG 41 HE ARG 41 -16.534 -4.817 -12.126 260 HH11 ARG 41 HH21 ARG 41 -17.778 -2.508 -9.870 261 HH12 ARG 41 HH22 ARG 41 -19.405 -2.604 -10.456 262 HH21 ARG 41 HH11 ARG 41 -18.665 -4.949 -12.902 263 HH22 ARG 41 HH12 ARG 41 -19.907 -3.987 -12.173 264 H ASN 42 HN ASN 42 -11.325 -1.432 -10.697 265 HA ASN 42 HA ASN 42 -11.773 -1.076 -13.485 266 HB2 ASN 42 HB2 ASN 42 -10.290 0.567 -11.430 267 HB3 ASN 42 HB1 ASN 42 -10.493 1.077 -13.105 268 HD21 ASN 42 HD21 ASN 42 -11.642 2.566 -10.937 269 HD22 ASN 42 HD22 ASN 42 -13.331 2.439 -11.047 270 H ARG 43 HN ARG 43 -8.877 -1.663 -11.530 271 HA ARG 43 HA ARG 43 -6.977 -1.357 -13.591 272 HB2 ARG 43 HB2 ARG 43 -6.930 -2.970 -11.034 273 HB3 ARG 43 HB1 ARG 43 -5.535 -2.803 -12.099 274 HG2 ARG 43 HG2 ARG 43 -7.000 -0.347 -11.165 275 HG3 ARG 43 HG1 ARG 43 -5.831 -1.127 -10.099 276 HD2 ARG 43 HD2 ARG 43 -4.147 -1.001 -11.957 277 HD3 ARG 43 HD1 ARG 43 -5.312 -0.069 -12.891 278 HE ARG 43 HE ARG 43 -4.881 1.766 -11.521 279 HH11 ARG 43 HH21 ARG 43 -3.561 -1.149 -10.206 280 HH12 ARG 43 HH22 ARG 43 -2.653 -0.345 -8.969 281 HH21 ARG 43 HH11 ARG 43 -3.695 2.829 -9.901 282 HH22 ARG 43 HH12 ARG 43 -2.730 1.908 -8.797 283 H VAL 44 HN VAL 44 -8.703 -4.219 -12.386 284 HA VAL 44 HA VAL 44 -7.440 -6.120 -14.031 285 HB VAL 44 HB VAL 44 -10.177 -6.050 -12.755 286 HG11 VAL 44 HG11 VAL 44 -10.503 -7.537 -14.559 287 HG12 VAL 44 HG12 VAL 44 -10.019 -8.597 -13.237 288 HG13 VAL 44 HG13 VAL 44 -8.850 -8.144 -14.475 289 HG21 VAL 44 HG21 VAL 44 -9.199 -7.408 -11.085 290 HG22 VAL 44 HG22 VAL 44 -7.949 -6.214 -11.430 291 HG23 VAL 44 HG23 VAL 44 -7.830 -7.836 -12.111 292 H GLU 45 HN GLU 45 -10.491 -4.337 -14.495 293 HA GLU 45 HA GLU 45 -11.284 -5.373 -16.930 294 HB2 GLU 45 HB2 GLU 45 -11.533 -2.602 -15.765 295 HB3 GLU 45 HB1 GLU 45 -12.234 -3.017 -17.330 296 HG2 GLU 45 HG2 GLU 45 -13.552 -4.798 -16.316 297 HG3 GLU 45 HG1 GLU 45 -12.787 -4.514 -14.752 298 H LYS 46 HN LYS 46 -9.104 -2.597 -16.376 299 HA LYS 46 HA LYS 46 -8.560 -2.213 -19.155 300 HB2 LYS 46 HB2 LYS 46 -8.339 -0.426 -17.428 301 HB3 LYS 46 HB1 LYS 46 -6.949 -1.287 -16.765 302 HG2 LYS 46 HG2 LYS 46 -5.781 -1.096 -18.922 303 HG3 LYS 46 HG1 LYS 46 -7.174 -0.265 -19.613 304 HD2 LYS 46 HD2 LYS 46 -6.922 1.547 -17.955 305 HD3 LYS 46 HD1 LYS 46 -5.521 0.721 -17.269 306 HE2 LYS 46 HE2 LYS 46 -4.359 0.888 -19.444 307 HE3 LYS 46 HE1 LYS 46 -5.755 1.730 -20.120 308 HZ1 LYS 46 HZ1 LYS 46 -3.876 3.164 -19.285 309 HZ2 LYS 46 HZ2 LYS 46 -4.329 2.701 -17.715 310 HZ3 LYS 46 HZ3 LYS 46 -5.422 3.550 -18.702 311 H ALA 47 HN ALA 47 -6.932 -3.901 -16.508 312 HA ALA 47 HA ALA 47 -4.544 -4.515 -17.895 313 HB1 ALA 47 HB1 ALA 47 -5.831 -6.166 -15.713 314 HB2 ALA 47 HB2 ALA 47 -4.910 -4.693 -15.406 315 HB3 ALA 47 HB3 ALA 47 -4.120 -6.092 -16.133 316 H ALA 48 HN ALA 48 -7.734 -5.853 -18.014 317 HA ALA 48 HA ALA 48 -7.104 -8.437 -18.994 318 HB1 ALA 48 HB1 ALA 48 -9.598 -6.860 -19.636 319 HB2 ALA 48 HB2 ALA 48 -9.339 -7.653 -18.083 320 HB3 ALA 48 HB3 ALA 48 -9.415 -8.612 -19.560 321 H ARG 49 HN ARG 49 -7.728 -5.340 -20.593 322 HA ARG 49 HA ARG 49 -7.619 -6.394 -23.250 323 HB2 ARG 49 HB2 ARG 49 -7.399 -3.596 -22.133 324 HB3 ARG 49 HB1 ARG 49 -7.329 -3.945 -23.860 325 HG2 ARG 49 HG2 ARG 49 -9.536 -5.017 -23.755 326 HG3 ARG 49 HG1 ARG 49 -9.610 -4.722 -22.016 327 HD2 ARG 49 HD2 ARG 49 -9.469 -2.287 -22.435 328 HD3 ARG 49 HD1 ARG 49 -9.433 -2.594 -24.168 329 HE ARG 49 HE ARG 49 -11.752 -2.795 -22.415 330 HH11 ARG 49 HH21 ARG 49 -10.268 -3.540 -25.451 331 HH12 ARG 49 HH22 ARG 49 -11.768 -3.789 -26.280 332 HH21 ARG 49 HH11 ARG 49 -13.723 -3.119 -23.496 333 HH22 ARG 49 HH12 ARG 49 -13.724 -3.551 -25.174 334 H GLU 50 HN GLU 50 -5.273 -4.981 -21.030 335 HA GLU 50 HA GLU 50 -3.162 -4.571 -22.837 336 HB2 GLU 50 HB2 GLU 50 -3.273 -3.754 -20.457 337 HB3 GLU 50 HB1 GLU 50 -2.891 -5.397 -19.941 338 HG2 GLU 50 HG2 GLU 50 -0.812 -4.194 -20.034 339 HG3 GLU 50 HG1 GLU 50 -0.840 -5.281 -21.419 340 H VAL 51 HN VAL 51 -4.008 -7.405 -20.863 341 HA VAL 51 HA VAL 51 -1.803 -8.974 -21.830 342 HB VAL 51 HB VAL 51 -2.925 -10.833 -20.651 343 HG11 VAL 51 HG11 VAL 51 -1.572 -8.923 -19.507 344 HG12 VAL 51 HG12 VAL 51 -2.538 -9.991 -18.488 345 HG13 VAL 51 HG13 VAL 51 -3.140 -8.386 -18.904 346 HG21 VAL 51 HG21 VAL 51 -5.252 -10.163 -21.206 347 HG22 VAL 51 HG22 VAL 51 -5.093 -8.774 -20.136 348 HG23 VAL 51 HG23 VAL 51 -5.040 -10.406 -19.473 349 H GLY 52 HN GLY 52 -4.910 -8.177 -23.016 350 HA2 GLY 52 HA2 GLY 52 -6.110 -8.860 -24.857 351 HA3 GLY 52 HA1 GLY 52 -4.567 -9.416 -25.499 352 H TYR 53 HN TYR 53 -6.284 -10.534 -22.606 353 HA TYR 53 HA TYR 53 -6.027 -13.286 -23.512 354 HB2 TYR 53 HB2 TYR 53 -5.647 -12.447 -21.109 355 HB3 TYR 53 HB1 TYR 53 -7.406 -12.370 -20.994 356 HD1 TYR 53 HD1 TYR 53 -4.734 -14.723 -22.195 357 HD2 TYR 53 HD2 TYR 53 -8.526 -14.264 -20.231 358 HE1 TYR 53 HE1 TYR 53 -4.815 -17.166 -21.780 359 HE2 TYR 53 HE2 TYR 53 -8.606 -16.707 -19.817 360 HH TYR 53 HH TYR 53 -6.055 -18.675 -19.930 361 H LEU 54 HN LEU 54 -7.661 -14.598 -24.170 362 HA LEU 54 HA LEU 54 -10.342 -13.370 -24.407 363 HB2 LEU 54 HB2 LEU 54 -9.045 -15.389 -26.246 364 HB3 LEU 54 HB1 LEU 54 -10.648 -14.682 -26.444 365 HG LEU 54 HG LEU 54 -8.300 -12.838 -26.154 366 HD11 LEU 54 HD11 LEU 54 -9.078 -14.280 -28.708 367 HD12 LEU 54 HD12 LEU 54 -7.558 -14.471 -27.834 368 HD13 LEU 54 HD13 LEU 54 -7.945 -12.932 -28.605 369 HD21 LEU 54 HD21 LEU 54 -10.885 -12.787 -27.748 370 HD22 LEU 54 HD22 LEU 54 -9.707 -11.477 -27.687 371 HD23 LEU 54 HD23 LEU 54 -10.587 -11.938 -26.231 372 HA PRO 55 HA PRO 55 -10.880 -17.138 -21.851 373 HB2 PRO 55 HB2 PRO 55 -12.541 -16.020 -20.005 374 HB3 PRO 55 HB1 PRO 55 -10.775 -15.890 -19.911 375 HG2 PRO 55 HG2 PRO 55 -12.777 -13.880 -20.764 376 HG3 PRO 55 HG1 PRO 55 -11.228 -13.656 -19.936 377 HD2 PRO 55 HD2 PRO 55 -11.685 -13.237 -22.678 378 HD3 PRO 55 HD1 PRO 55 -10.084 -13.426 -21.928 Start of MODEL 4 1 H1 ALA 9 HT1 ALA 9 1.619 -11.996 -25.160 2 H2 ALA 9 HT2 ALA 9 1.776 -13.340 -26.187 3 H3 ALA 9 HT3 ALA 9 2.477 -13.364 -24.640 4 HA ALA 9 HA ALA 9 -0.400 -12.907 -24.781 5 HB1 ALA 9 HB1 ALA 9 0.913 -15.598 -25.272 6 HB2 ALA 9 HB2 ALA 9 -0.097 -14.710 -26.413 7 HB3 ALA 9 HB3 ALA 9 -0.800 -15.359 -24.931 8 H ALA 10 HN ALA 10 -0.322 -12.154 -22.695 9 HA ALA 10 HA ALA 10 1.039 -13.788 -20.656 10 HB1 ALA 10 HB1 ALA 10 1.616 -11.490 -20.473 11 HB2 ALA 10 HB2 ALA 10 0.459 -11.795 -19.180 12 HB3 ALA 10 HB3 ALA 10 -0.060 -10.980 -20.653 13 H THR 11 HN THR 11 -0.074 -15.117 -19.389 14 HA THR 11 HA THR 11 -2.862 -15.508 -19.652 15 HB THR 11 HB THR 11 -1.165 -16.389 -17.313 16 HG1 THR 11 HG1 THR 11 -1.550 -17.725 -19.778 17 HG21 THR 11 HG21 THR 11 -2.745 -18.180 -17.137 18 HG22 THR 11 HG22 THR 11 -3.483 -17.764 -18.685 19 HG23 THR 11 HG23 THR 11 -3.687 -16.698 -17.296 20 H MET 12 HN MET 12 -4.578 -14.959 -18.335 21 HA MET 12 HA MET 12 -4.542 -12.445 -17.101 22 HB2 MET 12 HB2 MET 12 -6.584 -13.606 -17.942 23 HB3 MET 12 HB1 MET 12 -6.487 -14.701 -16.560 24 HG2 MET 12 HG2 MET 12 -6.669 -12.788 -15.019 25 HG3 MET 12 HG1 MET 12 -6.745 -11.682 -16.391 26 HE1 MET 12 HE1 MET 12 -8.752 -10.651 -15.462 27 HE2 MET 12 HE2 MET 12 -9.026 -11.739 -14.104 28 HE3 MET 12 HE3 MET 12 -10.341 -11.393 -15.225 29 H LYS 13 HN LYS 13 -3.799 -15.613 -15.862 30 HA LYS 13 HA LYS 13 -4.090 -15.109 -13.101 31 HB2 LYS 13 HB2 LYS 13 -3.796 -17.367 -14.122 32 HB3 LYS 13 HB1 LYS 13 -2.109 -16.962 -14.436 33 HG2 LYS 13 HG2 LYS 13 -1.690 -16.656 -12.055 34 HG3 LYS 13 HG1 LYS 13 -3.394 -16.914 -11.691 35 HD2 LYS 13 HD2 LYS 13 -2.494 -19.034 -11.274 36 HD3 LYS 13 HD1 LYS 13 -3.048 -19.199 -12.938 37 HE2 LYS 13 HE2 LYS 13 -0.741 -20.066 -12.646 38 HE3 LYS 13 HE1 LYS 13 -0.792 -18.708 -13.766 39 HZ1 LYS 13 HZ1 LYS 13 0.965 -18.743 -11.896 40 HZ2 LYS 13 HZ2 LYS 13 -0.315 -18.233 -10.902 41 HZ3 LYS 13 HZ3 LYS 13 0.152 -17.293 -12.237 42 H ASP 14 HN ASP 14 -1.375 -14.643 -15.335 43 HA ASP 14 HA ASP 14 0.554 -13.921 -13.416 44 HB2 ASP 14 HB2 ASP 14 0.252 -13.259 -16.345 45 HB3 ASP 14 HB1 ASP 14 1.643 -12.744 -15.391 46 H VAL 15 HN VAL 15 -1.941 -12.069 -15.090 47 HA VAL 15 HA VAL 15 -1.049 -9.486 -14.450 48 HB VAL 15 HB VAL 15 -3.837 -10.577 -14.879 49 HG11 VAL 15 HG11 VAL 15 -4.144 -8.558 -13.658 50 HG12 VAL 15 HG12 VAL 15 -4.330 -8.106 -15.352 51 HG13 VAL 15 HG13 VAL 15 -2.824 -7.756 -14.506 52 HG21 VAL 15 HG21 VAL 15 -3.481 -9.307 -17.074 53 HG22 VAL 15 HG22 VAL 15 -2.530 -10.778 -16.870 54 HG23 VAL 15 HG23 VAL 15 -1.781 -9.201 -16.621 55 H ALA 16 HN ALA 16 -3.154 -11.724 -12.676 56 HA ALA 16 HA ALA 16 -3.948 -10.063 -10.593 57 HB1 ALA 16 HB1 ALA 16 -4.855 -12.314 -10.900 58 HB2 ALA 16 HB2 ALA 16 -4.210 -12.136 -9.269 59 HB3 ALA 16 HB3 ALA 16 -3.291 -13.017 -10.489 60 H LEU 17 HN LEU 17 -0.966 -11.919 -10.980 61 HA LEU 17 HA LEU 17 0.101 -11.439 -8.416 62 HB2 LEU 17 HB2 LEU 17 1.041 -13.147 -9.880 63 HB3 LEU 17 HB1 LEU 17 1.521 -11.915 -11.047 64 HG LEU 17 HG LEU 17 3.025 -10.900 -9.384 65 HD11 LEU 17 HD11 LEU 17 1.756 -12.986 -7.624 66 HD12 LEU 17 HD12 LEU 17 2.071 -11.282 -7.283 67 HD13 LEU 17 HD13 LEU 17 3.397 -12.439 -7.284 68 HD21 LEU 17 HD21 LEU 17 4.668 -12.729 -9.255 69 HD22 LEU 17 HD22 LEU 17 3.881 -12.716 -10.834 70 HD23 LEU 17 HD23 LEU 17 3.401 -13.901 -9.619 71 H LYS 18 HN LYS 18 0.432 -9.663 -11.469 72 HA LYS 18 HA LYS 18 2.245 -7.709 -10.526 73 HB2 LYS 18 HB2 LYS 18 0.225 -7.657 -12.775 74 HB3 LYS 18 HB1 LYS 18 1.387 -6.363 -12.480 75 HG2 LYS 18 HG2 LYS 18 3.246 -7.953 -12.721 76 HG3 LYS 18 HG1 LYS 18 2.101 -9.269 -12.977 77 HD2 LYS 18 HD2 LYS 18 1.239 -8.125 -14.990 78 HD3 LYS 18 HD1 LYS 18 2.397 -6.818 -14.740 79 HE2 LYS 18 HE2 LYS 18 4.259 -8.423 -14.960 80 HE3 LYS 18 HE1 LYS 18 3.102 -9.729 -15.217 81 HZ1 LYS 18 HZ1 LYS 18 4.153 -7.976 -17.109 82 HZ2 LYS 18 HZ2 LYS 18 2.499 -7.615 -16.963 83 HZ3 LYS 18 HZ3 LYS 18 2.998 -9.194 -17.347 84 H ALA 19 HN ALA 19 -1.263 -7.940 -10.457 85 HA ALA 19 HA ALA 19 -1.447 -5.277 -9.205 86 HB1 ALA 19 HB1 ALA 19 -3.992 -5.887 -9.432 87 HB2 ALA 19 HB2 ALA 19 -3.398 -7.089 -10.580 88 HB3 ALA 19 HB3 ALA 19 -3.082 -5.377 -10.853 89 H LYS 20 HN LYS 20 -0.733 -8.197 -8.142 90 HA LYS 20 HA LYS 20 -1.178 -9.457 -6.251 91 HB2 LYS 20 HB2 LYS 20 0.063 -7.298 -5.538 92 HB3 LYS 20 HB1 LYS 20 -1.499 -6.783 -4.899 93 HG2 LYS 20 HG2 LYS 20 -1.618 -8.724 -3.449 94 HG3 LYS 20 HG1 LYS 20 -0.173 -9.418 -4.183 95 HD2 LYS 20 HD2 LYS 20 0.468 -8.387 -2.091 96 HD3 LYS 20 HD1 LYS 20 1.116 -7.413 -3.411 97 HE2 LYS 20 HE2 LYS 20 -0.516 -5.729 -3.127 98 HE3 LYS 20 HE1 LYS 20 -1.570 -6.785 -2.186 99 HZ1 LYS 20 HZ1 LYS 20 -0.516 -6.251 -0.325 100 HZ2 LYS 20 HZ2 LYS 20 0.249 -5.008 -1.192 101 HZ3 LYS 20 HZ3 LYS 20 1.013 -6.513 -1.007 102 H VAL 21 HN VAL 21 -3.475 -9.296 -7.703 103 HA VAL 21 HA VAL 21 -5.703 -8.251 -6.269 104 HB VAL 21 HB VAL 21 -5.678 -10.489 -8.304 105 HG11 VAL 21 HG11 VAL 21 -7.999 -9.776 -8.699 106 HG12 VAL 21 HG12 VAL 21 -7.840 -8.543 -7.451 107 HG13 VAL 21 HG13 VAL 21 -7.779 -10.248 -7.015 108 HG21 VAL 21 HG21 VAL 21 -6.058 -7.510 -8.732 109 HG22 VAL 21 HG22 VAL 21 -6.006 -8.760 -9.976 110 HG23 VAL 21 HG23 VAL 21 -4.553 -8.368 -9.057 111 H SER 22 HN SER 22 -5.310 -11.690 -7.013 112 HA SER 22 HA SER 22 -4.975 -12.778 -4.512 113 HB2 SER 22 HB2 SER 22 -7.724 -11.749 -4.936 114 HB3 SER 22 HB1 SER 22 -7.593 -13.354 -4.221 115 HG SER 22 HG SER 22 -7.076 -12.382 -2.446 116 H THR 23 HN THR 23 -4.681 -14.907 -4.793 117 HA THR 23 HA THR 23 -4.994 -16.131 -7.304 118 HB THR 23 HB THR 23 -4.802 -17.593 -4.667 119 HG1 THR 23 HG1 THR 23 -2.857 -16.851 -4.475 120 HG21 THR 23 HG21 THR 23 -3.656 -19.267 -5.983 121 HG22 THR 23 HG22 THR 23 -3.658 -18.219 -7.401 122 HG23 THR 23 HG23 THR 23 -5.174 -18.883 -6.794 123 H ALA 24 HN ALA 24 -7.141 -15.861 -4.563 124 HA ALA 24 HA ALA 24 -8.918 -17.966 -5.410 125 HB1 ALA 24 HB1 ALA 24 -10.438 -16.835 -3.663 126 HB2 ALA 24 HB2 ALA 24 -9.047 -15.813 -3.308 127 HB3 ALA 24 HB3 ALA 24 -8.937 -17.561 -3.088 128 H THR 25 HN THR 25 -8.857 -14.445 -5.584 129 HA THR 25 HA THR 25 -11.423 -14.004 -6.632 130 HB THR 25 HB THR 25 -10.363 -11.930 -7.663 131 HG1 THR 25 HG1 THR 25 -8.295 -12.341 -7.959 132 HG21 THR 25 HG21 THR 25 -11.364 -11.860 -5.450 133 HG22 THR 25 HG22 THR 25 -9.858 -10.946 -5.419 134 HG23 THR 25 HG23 THR 25 -9.918 -12.572 -4.737 135 H VAL 26 HN VAL 26 -8.389 -13.992 -8.527 136 HA VAL 26 HA VAL 26 -9.552 -14.105 -11.047 137 HB VAL 26 HB VAL 26 -7.106 -13.724 -10.473 138 HG11 VAL 26 HG11 VAL 26 -5.669 -15.605 -10.185 139 HG12 VAL 26 HG12 VAL 26 -6.946 -16.741 -10.617 140 HG13 VAL 26 HG13 VAL 26 -7.017 -15.875 -9.083 141 HG21 VAL 26 HG21 VAL 26 -7.977 -14.050 -12.797 142 HG22 VAL 26 HG22 VAL 26 -7.699 -15.783 -12.626 143 HG23 VAL 26 HG23 VAL 26 -6.337 -14.664 -12.599 144 H SER 27 HN SER 27 -8.929 -16.674 -8.741 145 HA SER 27 HA SER 27 -9.361 -18.840 -10.555 146 HB2 SER 27 HB2 SER 27 -8.110 -19.173 -8.489 147 HB3 SER 27 HB1 SER 27 -9.522 -18.729 -7.534 148 HG SER 27 HG SER 27 -10.549 -20.555 -8.231 149 H ARG 28 HN ARG 28 -11.411 -17.058 -8.280 150 HA ARG 28 HA ARG 28 -13.723 -18.715 -8.901 151 HB2 ARG 28 HB2 ARG 28 -13.256 -16.356 -7.079 152 HB3 ARG 28 HB1 ARG 28 -14.868 -17.007 -7.374 153 HG2 ARG 28 HG2 ARG 28 -14.149 -19.215 -6.590 154 HG3 ARG 28 HG1 ARG 28 -12.510 -18.612 -6.350 155 HD2 ARG 28 HD2 ARG 28 -13.261 -17.071 -4.639 156 HD3 ARG 28 HD1 ARG 28 -14.947 -17.472 -4.960 157 HE ARG 28 HE ARG 28 -14.681 -19.352 -3.635 158 HH11 ARG 28 HH21 ARG 28 -11.612 -18.143 -4.679 159 HH12 ARG 28 HH22 ARG 28 -10.692 -19.242 -3.707 160 HH21 ARG 28 HH11 ARG 28 -13.483 -20.800 -2.357 161 HH22 ARG 28 HH12 ARG 28 -11.751 -20.748 -2.392 162 H ALA 29 HN ALA 29 -12.257 -15.801 -10.007 163 HA ALA 29 HA ALA 29 -14.511 -14.381 -10.906 164 HB1 ALA 29 HB1 ALA 29 -12.949 -13.198 -12.370 165 HB2 ALA 29 HB2 ALA 29 -11.734 -14.447 -12.106 166 HB3 ALA 29 HB3 ALA 29 -12.242 -13.414 -10.770 167 H LEU 30 HN LEU 30 -13.060 -17.268 -12.045 168 HA LEU 30 HA LEU 30 -13.471 -17.289 -14.759 169 HB2 LEU 30 HB2 LEU 30 -13.591 -19.364 -12.626 170 HB3 LEU 30 HB1 LEU 30 -14.287 -19.799 -14.185 171 HG LEU 30 HG LEU 30 -12.185 -19.142 -15.308 172 HD11 LEU 30 HD11 LEU 30 -11.344 -18.534 -12.469 173 HD12 LEU 30 HD12 LEU 30 -11.329 -17.446 -13.852 174 HD13 LEU 30 HD13 LEU 30 -10.183 -18.782 -13.766 175 HD21 LEU 30 HD21 LEU 30 -12.474 -21.474 -14.586 176 HD22 LEU 30 HD22 LEU 30 -11.827 -21.075 -12.995 177 HD23 LEU 30 HD23 LEU 30 -10.787 -20.990 -14.417 178 H MET 31 HN MET 31 -15.913 -17.956 -12.241 179 HA MET 31 HA MET 31 -17.999 -17.487 -14.291 180 HB2 MET 31 HB2 MET 31 -18.029 -19.396 -11.942 181 HB3 MET 31 HB1 MET 31 -19.431 -19.018 -12.944 182 HG2 MET 31 HG2 MET 31 -18.192 -19.804 -14.945 183 HG3 MET 31 HG1 MET 31 -16.826 -20.231 -13.915 184 HE1 MET 31 HE1 MET 31 -17.684 -22.319 -15.692 185 HE2 MET 31 HE2 MET 31 -18.021 -23.740 -14.707 186 HE3 MET 31 HE3 MET 31 -16.630 -22.728 -14.331 187 H ASN 32 HN ASN 32 -17.716 -17.667 -10.736 188 HA ASN 32 HA ASN 32 -19.747 -16.109 -9.923 189 HB2 ASN 32 HB2 ASN 32 -17.003 -16.533 -8.917 190 HB3 ASN 32 HB1 ASN 32 -17.784 -15.088 -8.301 191 HD21 ASN 32 HD21 ASN 32 -18.691 -15.586 -6.307 192 HD22 ASN 32 HD22 ASN 32 -19.553 -17.006 -5.960 193 HA PRO 33 HA PRO 33 -19.557 -12.042 -11.525 194 HB2 PRO 33 HB2 PRO 33 -20.003 -10.532 -9.230 195 HB3 PRO 33 HB1 PRO 33 -21.265 -11.342 -10.170 196 HG2 PRO 33 HG2 PRO 33 -19.887 -12.236 -7.678 197 HG3 PRO 33 HG1 PRO 33 -21.599 -12.353 -8.126 198 HD2 PRO 33 HD2 PRO 33 -19.978 -14.488 -8.285 199 HD3 PRO 33 HD1 PRO 33 -21.244 -14.215 -9.503 200 H ASP 34 HN ASP 34 -18.725 -9.687 -10.167 201 HA ASP 34 HA ASP 34 -15.806 -10.116 -10.171 202 HB2 ASP 34 HB2 ASP 34 -17.501 -7.660 -10.641 203 HB3 ASP 34 HB1 ASP 34 -15.748 -7.613 -10.476 204 H LYS 35 HN LYS 35 -16.147 -10.988 -7.914 205 HA LYS 35 HA LYS 35 -16.931 -9.261 -5.803 206 HB2 LYS 35 HB2 LYS 35 -16.670 -11.849 -5.835 207 HB3 LYS 35 HB1 LYS 35 -14.982 -11.527 -5.446 208 HG2 LYS 35 HG2 LYS 35 -15.634 -10.264 -3.463 209 HG3 LYS 35 HG1 LYS 35 -17.337 -10.449 -3.869 210 HD2 LYS 35 HD2 LYS 35 -15.566 -12.865 -3.519 211 HD3 LYS 35 HD1 LYS 35 -16.312 -12.084 -2.126 212 HE2 LYS 35 HE2 LYS 35 -18.539 -12.306 -3.304 213 HE3 LYS 35 HE1 LYS 35 -17.727 -13.288 -4.520 214 HZ1 LYS 35 HZ1 LYS 35 -18.216 -14.965 -3.158 215 HZ2 LYS 35 HZ2 LYS 35 -18.477 -13.950 -1.820 216 HZ3 LYS 35 HZ3 LYS 35 -16.900 -14.424 -2.236 217 H VAL 36 HN VAL 36 -14.384 -8.970 -7.843 218 HA VAL 36 HA VAL 36 -12.214 -8.372 -6.123 219 HB VAL 36 HB VAL 36 -12.840 -7.428 -8.929 220 HG11 VAL 36 HG11 VAL 36 -11.288 -5.857 -8.024 221 HG12 VAL 36 HG12 VAL 36 -10.316 -7.008 -8.938 222 HG13 VAL 36 HG13 VAL 36 -10.392 -7.120 -7.180 223 HG21 VAL 36 HG21 VAL 36 -12.545 -9.847 -8.746 224 HG22 VAL 36 HG22 VAL 36 -11.066 -9.622 -7.813 225 HG23 VAL 36 HG23 VAL 36 -11.119 -9.144 -9.509 226 H SER 37 HN SER 37 -11.471 -6.416 -5.321 227 HA SER 37 HA SER 37 -13.327 -4.585 -4.350 228 HB2 SER 37 HB2 SER 37 -11.058 -4.844 -3.423 229 HB3 SER 37 HB1 SER 37 -10.381 -4.122 -4.881 230 HG SER 37 HG SER 37 -11.501 -2.225 -4.396 231 H GLN 38 HN GLN 38 -14.059 -2.595 -5.011 232 HA GLN 38 HA GLN 38 -14.562 -2.082 -7.653 233 HB2 GLN 38 HB2 GLN 38 -15.644 -0.877 -5.792 234 HB3 GLN 38 HB1 GLN 38 -14.140 -0.004 -5.490 235 HG2 GLN 38 HG2 GLN 38 -14.230 1.035 -7.673 236 HG3 GLN 38 HG1 GLN 38 -15.614 0.046 -8.136 237 HE21 GLN 38 HE21 GLN 38 -15.760 2.905 -8.180 238 HE22 GLN 38 HE22 GLN 38 -16.844 3.400 -6.971 239 H ALA 39 HN ALA 39 -11.885 -0.721 -5.733 240 HA ALA 39 HA ALA 39 -10.706 0.744 -7.839 241 HB1 ALA 39 HB1 ALA 39 -9.326 -0.482 -5.435 242 HB2 ALA 39 HB2 ALA 39 -10.181 1.061 -5.420 243 HB3 ALA 39 HB3 ALA 39 -8.736 0.861 -6.411 244 H THR 40 HN THR 40 -9.807 -2.440 -6.484 245 HA THR 40 HA THR 40 -7.836 -3.008 -8.429 246 HB THR 40 HB THR 40 -9.471 -4.993 -6.841 247 HG1 THR 40 HG1 THR 40 -7.341 -3.300 -6.193 248 HG21 THR 40 HG21 THR 40 -8.165 -6.062 -8.571 249 HG22 THR 40 HG22 THR 40 -7.335 -6.314 -7.036 250 HG23 THR 40 HG23 THR 40 -6.748 -5.093 -8.162 251 H ARG 41 HN ARG 41 -11.265 -3.125 -8.508 252 HA ARG 41 HA ARG 41 -11.584 -5.131 -10.517 253 HB2 ARG 41 HB2 ARG 41 -13.415 -4.417 -8.998 254 HB3 ARG 41 HB1 ARG 41 -13.445 -2.853 -9.809 255 HG2 ARG 41 HG2 ARG 41 -14.003 -3.922 -11.932 256 HG3 ARG 41 HG1 ARG 41 -13.882 -5.515 -11.185 257 HD2 ARG 41 HD2 ARG 41 -16.228 -4.859 -11.307 258 HD3 ARG 41 HD1 ARG 41 -15.713 -4.893 -9.622 259 HE ARG 41 HE ARG 41 -15.936 -2.562 -9.543 260 HH11 ARG 41 HH21 ARG 41 -16.227 -3.795 -12.763 261 HH12 ARG 41 HH22 ARG 41 -16.814 -2.307 -13.428 262 HH21 ARG 41 HH11 ARG 41 -16.707 -0.608 -10.406 263 HH22 ARG 41 HH12 ARG 41 -17.086 -0.502 -12.093 264 H ASN 42 HN ASN 42 -11.366 -1.591 -10.578 265 HA ASN 42 HA ASN 42 -11.783 -1.327 -13.381 266 HB2 ASN 42 HB2 ASN 42 -12.110 0.555 -11.858 267 HB3 ASN 42 HB1 ASN 42 -10.401 0.523 -11.428 268 HD21 ASN 42 HD21 ASN 42 -9.670 2.479 -12.361 269 HD22 ASN 42 HD22 ASN 42 -9.823 2.847 -14.011 270 H ARG 43 HN ARG 43 -8.926 -1.740 -11.367 271 HA ARG 43 HA ARG 43 -6.987 -1.221 -13.365 272 HB2 ARG 43 HB2 ARG 43 -6.481 -1.265 -10.939 273 HB3 ARG 43 HB1 ARG 43 -6.752 -3.009 -10.933 274 HG2 ARG 43 HG2 ARG 43 -4.930 -3.338 -12.522 275 HG3 ARG 43 HG1 ARG 43 -4.696 -1.595 -12.656 276 HD2 ARG 43 HD2 ARG 43 -4.119 -1.481 -10.266 277 HD3 ARG 43 HD1 ARG 43 -4.374 -3.216 -10.114 278 HE ARG 43 HE ARG 43 -2.344 -3.582 -11.234 279 HH11 ARG 43 HH21 ARG 43 -3.279 -0.251 -11.240 280 HH12 ARG 43 HH22 ARG 43 -1.740 0.324 -11.791 281 HH21 ARG 43 HH11 ARG 43 -0.323 -2.837 -11.958 282 HH22 ARG 43 HH12 ARG 43 -0.068 -1.141 -12.198 283 H VAL 44 HN VAL 44 -8.568 -4.202 -12.269 284 HA VAL 44 HA VAL 44 -7.101 -5.996 -13.873 285 HB VAL 44 HB VAL 44 -9.888 -6.136 -12.716 286 HG11 VAL 44 HG11 VAL 44 -8.325 -8.121 -14.367 287 HG12 VAL 44 HG12 VAL 44 -10.007 -7.625 -14.547 288 HG13 VAL 44 HG13 VAL 44 -9.532 -8.657 -13.197 289 HG21 VAL 44 HG21 VAL 44 -7.414 -7.709 -11.973 290 HG22 VAL 44 HG22 VAL 44 -8.881 -7.469 -11.024 291 HG23 VAL 44 HG23 VAL 44 -7.756 -6.132 -11.264 292 H GLU 45 HN GLU 45 -10.200 -4.343 -14.447 293 HA GLU 45 HA GLU 45 -10.866 -5.417 -16.907 294 HB2 GLU 45 HB2 GLU 45 -11.262 -2.642 -15.781 295 HB3 GLU 45 HB1 GLU 45 -11.928 -3.128 -17.341 296 HG2 GLU 45 HG2 GLU 45 -12.432 -4.616 -14.750 297 HG3 GLU 45 HG1 GLU 45 -13.531 -3.418 -15.427 298 H LYS 46 HN LYS 46 -8.829 -2.551 -16.276 299 HA LYS 46 HA LYS 46 -8.195 -2.142 -19.030 300 HB2 LYS 46 HB2 LYS 46 -8.100 -0.347 -17.310 301 HB3 LYS 46 HB1 LYS 46 -6.721 -1.164 -16.573 302 HG2 LYS 46 HG2 LYS 46 -5.438 -0.933 -18.650 303 HG3 LYS 46 HG1 LYS 46 -6.824 -0.179 -19.441 304 HD2 LYS 46 HD2 LYS 46 -6.758 1.663 -17.791 305 HD3 LYS 46 HD1 LYS 46 -5.352 0.919 -17.029 306 HE2 LYS 46 HE2 LYS 46 -5.489 1.854 -19.911 307 HE3 LYS 46 HE1 LYS 46 -4.680 2.711 -18.599 308 HZ1 LYS 46 HZ1 LYS 46 -3.141 1.355 -19.899 309 HZ2 LYS 46 HZ2 LYS 46 -4.026 -0.041 -19.508 310 HZ3 LYS 46 HZ3 LYS 46 -3.223 0.828 -18.289 311 H ALA 47 HN ALA 47 -6.665 -3.850 -16.352 312 HA ALA 47 HA ALA 47 -4.204 -4.375 -17.700 313 HB1 ALA 47 HB1 ALA 47 -5.395 -6.011 -15.461 314 HB2 ALA 47 HB2 ALA 47 -4.612 -4.454 -15.191 315 HB3 ALA 47 HB3 ALA 47 -3.692 -5.802 -15.863 316 H ALA 48 HN ALA 48 -7.351 -5.750 -17.849 317 HA ALA 48 HA ALA 48 -6.596 -8.374 -18.716 318 HB1 ALA 48 HB1 ALA 48 -9.216 -6.993 -19.296 319 HB2 ALA 48 HB2 ALA 48 -8.838 -7.677 -17.715 320 HB3 ALA 48 HB3 ALA 48 -8.908 -8.721 -19.133 321 H ARG 49 HN ARG 49 -7.513 -5.369 -20.354 322 HA ARG 49 HA ARG 49 -7.511 -6.446 -22.983 323 HB2 ARG 49 HB2 ARG 49 -8.573 -4.264 -22.225 324 HB3 ARG 49 HB1 ARG 49 -6.950 -3.574 -22.232 325 HG2 ARG 49 HG2 ARG 49 -7.593 -3.063 -24.402 326 HG3 ARG 49 HG1 ARG 49 -6.874 -4.649 -24.673 327 HD2 ARG 49 HD2 ARG 49 -9.099 -5.696 -24.474 328 HD3 ARG 49 HD1 ARG 49 -9.821 -4.116 -24.194 329 HE ARG 49 HE ARG 49 -8.325 -4.192 -26.641 330 HH11 ARG 49 HH21 ARG 49 -11.299 -5.068 -25.105 331 HH12 ARG 49 HH22 ARG 49 -12.224 -5.038 -26.569 332 HH21 ARG 49 HH11 ARG 49 -9.531 -4.151 -28.565 333 HH22 ARG 49 HH12 ARG 49 -11.224 -4.520 -28.529 334 H GLU 50 HN GLU 50 -5.050 -4.834 -21.010 335 HA GLU 50 HA GLU 50 -3.053 -4.468 -22.891 336 HB2 GLU 50 HB2 GLU 50 -2.998 -3.739 -20.481 337 HB3 GLU 50 HB1 GLU 50 -2.599 -5.404 -20.049 338 HG2 GLU 50 HG2 GLU 50 -0.517 -4.230 -20.231 339 HG3 GLU 50 HG1 GLU 50 -0.652 -5.235 -21.669 340 H VAL 51 HN VAL 51 -3.826 -7.379 -21.016 341 HA VAL 51 HA VAL 51 -1.734 -8.904 -22.356 342 HB VAL 51 HB VAL 51 -2.558 -10.771 -20.941 343 HG11 VAL 51 HG11 VAL 51 -0.920 -8.907 -20.181 344 HG12 VAL 51 HG12 VAL 51 -1.645 -9.921 -18.935 345 HG13 VAL 51 HG13 VAL 51 -2.273 -8.299 -19.233 346 HG21 VAL 51 HG21 VAL 51 -4.271 -10.205 -19.204 347 HG22 VAL 51 HG22 VAL 51 -4.921 -10.177 -20.840 348 HG23 VAL 51 HG23 VAL 51 -4.539 -8.666 -20.020 349 H GLY 52 HN GLY 52 -4.759 -7.906 -23.190 350 HA2 GLY 52 HA2 GLY 52 -6.425 -8.708 -24.586 351 HA3 GLY 52 HA1 GLY 52 -5.040 -9.247 -25.532 352 H TYR 53 HN TYR 53 -5.649 -10.507 -22.340 353 HA TYR 53 HA TYR 53 -6.798 -12.979 -23.455 354 HB2 TYR 53 HB2 TYR 53 -4.325 -13.260 -23.299 355 HB3 TYR 53 HB1 TYR 53 -4.431 -12.936 -21.567 356 HD1 TYR 53 HD2 TYR 53 -5.702 -15.204 -24.252 357 HD2 TYR 53 HD1 TYR 53 -5.009 -14.651 -20.049 358 HE1 TYR 53 HE2 TYR 53 -6.292 -17.576 -23.843 359 HE2 TYR 53 HE1 TYR 53 -5.600 -17.025 -19.639 360 HH TYR 53 HH TYR 53 -5.834 -19.070 -20.709 361 H LEU 54 HN LEU 54 -8.645 -13.248 -22.402 362 HA LEU 54 HA LEU 54 -8.817 -12.434 -19.573 363 HB2 LEU 54 HB2 LEU 54 -10.716 -12.469 -21.844 364 HB3 LEU 54 HB1 LEU 54 -11.391 -13.035 -20.319 365 HG LEU 54 HG LEU 54 -9.751 -10.510 -20.379 366 HD11 LEU 54 HD11 LEU 54 -12.660 -10.798 -21.163 367 HD12 LEU 54 HD12 LEU 54 -11.353 -10.152 -22.154 368 HD13 LEU 54 HD13 LEU 54 -11.900 -9.267 -20.729 369 HD21 LEU 54 HD21 LEU 54 -12.216 -11.224 -18.774 370 HD22 LEU 54 HD22 LEU 54 -10.998 -10.001 -18.411 371 HD23 LEU 54 HD23 LEU 54 -10.603 -11.711 -18.263 372 HA PRO 55 HA PRO 55 -10.613 -16.985 -20.008 373 HB2 PRO 55 HB2 PRO 55 -8.646 -17.927 -22.037 374 HB3 PRO 55 HB1 PRO 55 -10.373 -18.302 -21.879 375 HG2 PRO 55 HG2 PRO 55 -9.489 -16.672 -23.785 376 HG3 PRO 55 HG1 PRO 55 -11.026 -16.367 -22.956 377 HD2 PRO 55 HD2 PRO 55 -8.378 -15.014 -22.571 378 HD3 PRO 55 HD1 PRO 55 -10.013 -14.326 -22.541 Start of MODEL 5 1 H1 ALA 9 HT1 ALA 9 3.313 -13.666 -25.448 2 H2 ALA 9 HT2 ALA 9 4.288 -14.135 -24.136 3 H3 ALA 9 HT3 ALA 9 3.110 -12.927 -23.933 4 HA ALA 9 HA ALA 9 1.443 -14.723 -24.631 5 HB1 ALA 9 HB1 ALA 9 2.145 -16.988 -24.218 6 HB2 ALA 9 HB2 ALA 9 3.712 -16.450 -23.612 7 HB3 ALA 9 HB3 ALA 9 3.321 -16.276 -25.323 8 H ALA 10 HN ALA 10 0.906 -13.087 -22.921 9 HA ALA 10 HA ALA 10 1.564 -13.898 -20.176 10 HB1 ALA 10 HB1 ALA 10 0.201 -11.480 -21.360 11 HB2 ALA 10 HB2 ALA 10 1.751 -11.553 -20.524 12 HB3 ALA 10 HB3 ALA 10 0.253 -11.789 -19.624 13 H THR 11 HN THR 11 -0.375 -13.664 -18.608 14 HA THR 11 HA THR 11 -2.870 -14.705 -19.756 15 HB THR 11 HB THR 11 -2.936 -16.465 -17.995 16 HG1 THR 11 HG1 THR 11 -1.549 -16.222 -16.465 17 HG21 THR 11 HG21 THR 11 -0.478 -16.616 -19.764 18 HG22 THR 11 HG22 THR 11 -2.122 -16.955 -20.304 19 HG23 THR 11 HG23 THR 11 -1.365 -17.982 -19.087 20 H MET 12 HN MET 12 -4.706 -14.294 -18.510 21 HA MET 12 HA MET 12 -4.782 -11.934 -17.063 22 HB2 MET 12 HB2 MET 12 -6.768 -13.041 -18.044 23 HB3 MET 12 HB1 MET 12 -6.661 -14.297 -16.811 24 HG2 MET 12 HG2 MET 12 -7.008 -12.653 -15.042 25 HG3 MET 12 HG1 MET 12 -6.991 -11.341 -16.222 26 HE1 MET 12 HE1 MET 12 -10.131 -14.527 -15.424 27 HE2 MET 12 HE2 MET 12 -8.420 -14.508 -15.005 28 HE3 MET 12 HE3 MET 12 -8.917 -14.982 -16.626 29 H LYS 13 HN LYS 13 -4.309 -15.240 -15.945 30 HA LYS 13 HA LYS 13 -4.545 -14.737 -13.172 31 HB2 LYS 13 HB2 LYS 13 -3.111 -16.871 -14.753 32 HB3 LYS 13 HB1 LYS 13 -3.127 -16.843 -12.990 33 HG2 LYS 13 HG2 LYS 13 -5.548 -16.980 -12.945 34 HG3 LYS 13 HG1 LYS 13 -5.635 -16.809 -14.697 35 HD2 LYS 13 HD2 LYS 13 -5.883 -19.152 -14.206 36 HD3 LYS 13 HD1 LYS 13 -4.274 -18.928 -14.888 37 HE2 LYS 13 HE2 LYS 13 -3.222 -19.137 -12.773 38 HE3 LYS 13 HE1 LYS 13 -4.737 -18.893 -11.902 39 HZ1 LYS 13 HZ1 LYS 13 -4.186 -21.201 -13.678 40 HZ2 LYS 13 HZ2 LYS 13 -5.530 -20.990 -12.659 41 HZ3 LYS 13 HZ3 LYS 13 -3.985 -21.230 -11.995 42 H ASP 14 HN ASP 14 -1.799 -14.632 -15.399 43 HA ASP 14 HA ASP 14 0.186 -14.197 -13.451 44 HB2 ASP 14 HB2 ASP 14 0.013 -13.700 -16.411 45 HB3 ASP 14 HB1 ASP 14 1.405 -13.129 -15.499 46 H VAL 15 HN VAL 15 -1.973 -12.026 -15.180 47 HA VAL 15 HA VAL 15 -0.709 -9.609 -14.529 48 HB VAL 15 HB VAL 15 -3.609 -10.285 -15.063 49 HG11 VAL 15 HG11 VAL 15 -3.666 -8.233 -13.832 50 HG12 VAL 15 HG12 VAL 15 -3.775 -7.785 -15.533 51 HG13 VAL 15 HG13 VAL 15 -2.246 -7.610 -14.675 52 HG21 VAL 15 HG21 VAL 15 -1.352 -9.148 -16.736 53 HG22 VAL 15 HG22 VAL 15 -3.040 -9.123 -17.242 54 HG23 VAL 15 HG23 VAL 15 -2.218 -10.664 -16.998 55 H ALA 16 HN ALA 16 -3.194 -11.491 -12.833 56 HA ALA 16 HA ALA 16 -3.813 -9.723 -10.792 57 HB1 ALA 16 HB1 ALA 16 -4.186 -11.873 -9.413 58 HB2 ALA 16 HB2 ALA 16 -3.691 -12.735 -10.872 59 HB3 ALA 16 HB3 ALA 16 -5.107 -11.684 -10.902 60 H LEU 17 HN LEU 17 -1.060 -11.874 -11.127 61 HA LEU 17 HA LEU 17 -0.027 -11.666 -8.527 62 HB2 LEU 17 HB2 LEU 17 0.818 -13.276 -10.200 63 HB3 LEU 17 HB1 LEU 17 1.520 -11.943 -11.115 64 HG LEU 17 HG LEU 17 2.902 -11.342 -9.130 65 HD11 LEU 17 HD11 LEU 17 3.047 -13.386 -7.429 66 HD12 LEU 17 HD12 LEU 17 1.382 -13.657 -7.949 67 HD13 LEU 17 HD13 LEU 17 1.836 -12.123 -7.207 68 HD21 LEU 17 HD21 LEU 17 4.353 -13.446 -9.239 69 HD22 LEU 17 HD22 LEU 17 3.967 -12.699 -10.790 70 HD23 LEU 17 HD23 LEU 17 3.098 -14.142 -10.265 71 H LYS 18 HN LYS 18 0.441 -9.626 -11.377 72 HA LYS 18 HA LYS 18 2.354 -7.882 -10.229 73 HB2 LYS 18 HB2 LYS 18 0.377 -7.460 -12.478 74 HB3 LYS 18 HB1 LYS 18 1.678 -6.340 -12.074 75 HG2 LYS 18 HG2 LYS 18 2.325 -9.248 -12.561 76 HG3 LYS 18 HG1 LYS 18 2.079 -8.171 -13.936 77 HD2 LYS 18 HD2 LYS 18 3.820 -6.650 -13.050 78 HD3 LYS 18 HD1 LYS 18 4.085 -7.743 -11.694 79 HE2 LYS 18 HE2 LYS 18 5.756 -8.182 -13.402 80 HE3 LYS 18 HE1 LYS 18 4.647 -9.552 -13.313 81 HZ1 LYS 18 HZ1 LYS 18 3.811 -9.121 -15.335 82 HZ2 LYS 18 HZ2 LYS 18 5.282 -8.305 -15.576 83 HZ3 LYS 18 HZ3 LYS 18 3.886 -7.438 -15.142 84 H ALA 19 HN ALA 19 -1.137 -7.952 -10.209 85 HA ALA 19 HA ALA 19 -1.257 -5.389 -8.753 86 HB1 ALA 19 HB1 ALA 19 -3.319 -7.102 -10.130 87 HB2 ALA 19 HB2 ALA 19 -2.877 -5.427 -10.459 88 HB3 ALA 19 HB3 ALA 19 -3.788 -5.827 -9.004 89 H LYS 20 HN LYS 20 -0.738 -8.514 -8.000 90 HA LYS 20 HA LYS 20 -1.156 -9.875 -6.171 91 HB2 LYS 20 HB2 LYS 20 -1.021 -7.131 -4.901 92 HB3 LYS 20 HB1 LYS 20 -0.944 -8.649 -4.003 93 HG2 LYS 20 HG2 LYS 20 1.058 -9.320 -5.300 94 HG3 LYS 20 HG1 LYS 20 0.986 -7.798 -6.193 95 HD2 LYS 20 HD2 LYS 20 1.257 -6.551 -4.084 96 HD3 LYS 20 HD1 LYS 20 1.344 -8.072 -3.198 97 HE2 LYS 20 HE2 LYS 20 3.342 -8.717 -4.510 98 HE3 LYS 20 HE1 LYS 20 3.263 -7.182 -5.372 99 HZ1 LYS 20 HZ1 LYS 20 4.253 -6.147 -3.697 100 HZ2 LYS 20 HZ2 LYS 20 4.572 -7.670 -3.013 101 HZ3 LYS 20 HZ3 LYS 20 3.185 -6.801 -2.552 102 H VAL 21 HN VAL 21 -3.465 -9.591 -7.498 103 HA VAL 21 HA VAL 21 -5.601 -8.488 -5.962 104 HB VAL 21 HB VAL 21 -5.777 -10.648 -8.072 105 HG11 VAL 21 HG11 VAL 21 -7.757 -8.534 -7.176 106 HG12 VAL 21 HG12 VAL 21 -7.816 -10.229 -6.694 107 HG13 VAL 21 HG13 VAL 21 -8.038 -9.785 -8.384 108 HG21 VAL 21 HG21 VAL 21 -5.865 -7.635 -8.399 109 HG22 VAL 21 HG22 VAL 21 -6.033 -8.834 -9.681 110 HG23 VAL 21 HG23 VAL 21 -4.495 -8.653 -8.839 111 H SER 22 HN SER 22 -5.460 -11.891 -6.873 112 HA SER 22 HA SER 22 -5.047 -13.147 -4.476 113 HB2 SER 22 HB2 SER 22 -6.763 -12.188 -3.241 114 HB3 SER 22 HB1 SER 22 -7.776 -11.941 -4.660 115 HG SER 22 HG SER 22 -8.736 -13.668 -3.925 116 H THR 23 HN THR 23 -5.104 -15.300 -4.774 117 HA THR 23 HA THR 23 -5.630 -16.371 -7.329 118 HB THR 23 HB THR 23 -5.408 -18.602 -6.086 119 HG1 THR 23 HG1 THR 23 -5.734 -18.363 -4.036 120 HG21 THR 23 HG21 THR 23 -3.511 -17.519 -7.204 121 HG22 THR 23 HG22 THR 23 -2.990 -18.255 -5.690 122 HG23 THR 23 HG23 THR 23 -3.230 -16.511 -5.785 123 H ALA 24 HN ALA 24 -7.631 -15.926 -4.510 124 HA ALA 24 HA ALA 24 -9.649 -17.822 -5.293 125 HB1 ALA 24 HB1 ALA 24 -10.965 -16.741 -3.485 126 HB2 ALA 24 HB2 ALA 24 -9.654 -15.578 -3.274 127 HB3 ALA 24 HB3 ALA 24 -9.375 -17.290 -2.957 128 H THR 25 HN THR 25 -9.213 -14.341 -5.469 129 HA THR 25 HA THR 25 -11.743 -13.591 -6.426 130 HB THR 25 HB THR 25 -10.487 -11.652 -7.521 131 HG1 THR 25 HG1 THR 25 -8.496 -13.341 -7.128 132 HG21 THR 25 HG21 THR 25 -10.162 -12.363 -4.604 133 HG22 THR 25 HG22 THR 25 -11.393 -11.336 -5.338 134 HG23 THR 25 HG23 THR 25 -9.720 -10.785 -5.253 135 H VAL 26 HN VAL 26 -8.818 -13.947 -8.451 136 HA VAL 26 HA VAL 26 -10.179 -13.921 -10.896 137 HB VAL 26 HB VAL 26 -7.514 -15.059 -10.056 138 HG11 VAL 26 HG11 VAL 26 -8.823 -15.091 -12.784 139 HG12 VAL 26 HG12 VAL 26 -8.041 -16.421 -11.932 140 HG13 VAL 26 HG13 VAL 26 -7.069 -15.110 -12.601 141 HG21 VAL 26 HG21 VAL 26 -7.494 -12.678 -10.050 142 HG22 VAL 26 HG22 VAL 26 -8.420 -12.589 -11.549 143 HG23 VAL 26 HG23 VAL 26 -6.751 -13.151 -11.577 144 H SER 27 HN SER 27 -9.544 -16.525 -8.635 145 HA SER 27 HA SER 27 -10.177 -18.669 -10.411 146 HB2 SER 27 HB2 SER 27 -8.938 -19.239 -8.479 147 HB3 SER 27 HB1 SER 27 -10.071 -18.409 -7.422 148 HG SER 27 HG SER 27 -11.349 -20.248 -8.902 149 H ARG 28 HN ARG 28 -12.045 -16.802 -8.046 150 HA ARG 28 HA ARG 28 -14.492 -18.254 -8.602 151 HB2 ARG 28 HB2 ARG 28 -13.992 -15.772 -6.951 152 HB3 ARG 28 HB1 ARG 28 -15.505 -16.677 -7.010 153 HG2 ARG 28 HG2 ARG 28 -12.931 -18.080 -6.298 154 HG3 ARG 28 HG1 ARG 28 -13.815 -17.178 -5.072 155 HD2 ARG 28 HD2 ARG 28 -15.855 -18.527 -5.620 156 HD3 ARG 28 HD1 ARG 28 -14.882 -19.489 -6.727 157 HE ARG 28 HE ARG 28 -13.741 -19.396 -4.099 158 HH11 ARG 28 HH21 ARG 28 -16.168 -20.822 -6.112 159 HH12 ARG 28 HH22 ARG 28 -16.255 -22.293 -5.203 160 HH21 ARG 28 HH11 ARG 28 -13.847 -21.319 -2.904 161 HH22 ARG 28 HH12 ARG 28 -14.939 -22.575 -3.385 162 H ALA 29 HN ALA 29 -12.839 -15.563 -9.886 163 HA ALA 29 HA ALA 29 -14.871 -13.887 -10.731 164 HB1 ALA 29 HB1 ALA 29 -12.600 -13.216 -11.055 165 HB2 ALA 29 HB2 ALA 29 -13.330 -13.348 -12.653 166 HB3 ALA 29 HB3 ALA 29 -12.265 -14.624 -12.065 167 H LEU 30 HN LEU 30 -14.277 -17.113 -11.655 168 HA LEU 30 HA LEU 30 -15.633 -16.874 -14.240 169 HB2 LEU 30 HB2 LEU 30 -14.252 -19.110 -12.764 170 HB3 LEU 30 HB1 LEU 30 -15.266 -19.439 -14.170 171 HG LEU 30 HG LEU 30 -13.919 -17.864 -15.511 172 HD11 LEU 30 HD11 LEU 30 -12.455 -17.530 -12.889 173 HD12 LEU 30 HD12 LEU 30 -13.116 -16.279 -13.940 174 HD13 LEU 30 HD13 LEU 30 -11.678 -17.172 -14.429 175 HD21 LEU 30 HD21 LEU 30 -12.157 -19.861 -14.064 176 HD22 LEU 30 HD22 LEU 30 -11.952 -19.262 -15.710 177 HD23 LEU 30 HD23 LEU 30 -13.321 -20.302 -15.315 178 H MET 31 HN MET 31 -16.507 -17.232 -11.019 179 HA MET 31 HA MET 31 -19.100 -18.479 -11.763 180 HB2 MET 31 HB2 MET 31 -17.516 -18.744 -9.202 181 HB3 MET 31 HB1 MET 31 -19.175 -19.304 -9.405 182 HG2 MET 31 HG2 MET 31 -17.812 -21.210 -9.832 183 HG3 MET 31 HG1 MET 31 -18.319 -20.638 -11.422 184 HE1 MET 31 HE1 MET 31 -15.321 -22.074 -9.694 185 HE2 MET 31 HE2 MET 31 -14.556 -22.096 -11.282 186 HE3 MET 31 HE3 MET 31 -16.243 -22.578 -11.118 187 H ASN 32 HN ASN 32 -17.442 -16.126 -9.708 188 HA ASN 32 HA ASN 32 -19.823 -14.452 -9.720 189 HB2 ASN 32 HB2 ASN 32 -20.212 -15.892 -7.791 190 HB3 ASN 32 HB1 ASN 32 -18.633 -15.462 -7.133 191 HD21 ASN 32 HD21 ASN 32 -21.944 -14.415 -7.466 192 HD22 ASN 32 HD22 ASN 32 -21.766 -12.931 -6.661 193 HA PRO 33 HA PRO 33 -15.867 -12.078 -9.735 194 HB2 PRO 33 HB2 PRO 33 -16.406 -10.497 -11.887 195 HB3 PRO 33 HB1 PRO 33 -15.788 -12.153 -12.053 196 HG2 PRO 33 HG2 PRO 33 -18.554 -11.121 -12.434 197 HG3 PRO 33 HG1 PRO 33 -17.705 -12.419 -13.292 198 HD2 PRO 33 HD2 PRO 33 -19.577 -12.793 -11.239 199 HD3 PRO 33 HD1 PRO 33 -18.413 -14.014 -11.793 200 H ASP 34 HN ASP 34 -17.025 -11.366 -7.698 201 HA ASP 34 HA ASP 34 -17.634 -8.506 -7.937 202 HB2 ASP 34 HB2 ASP 34 -19.471 -10.525 -6.643 203 HB3 ASP 34 HB1 ASP 34 -19.583 -8.786 -6.379 204 H LYS 35 HN LYS 35 -15.711 -10.703 -6.662 205 HA LYS 35 HA LYS 35 -15.745 -9.816 -3.883 206 HB2 LYS 35 HB2 LYS 35 -15.311 -12.209 -4.646 207 HB3 LYS 35 HB1 LYS 35 -13.730 -11.644 -5.186 208 HG2 LYS 35 HG2 LYS 35 -13.226 -10.833 -2.922 209 HG3 LYS 35 HG1 LYS 35 -14.817 -11.348 -2.369 210 HD2 LYS 35 HD2 LYS 35 -12.886 -13.294 -3.634 211 HD3 LYS 35 HD1 LYS 35 -12.829 -12.937 -1.910 212 HE2 LYS 35 HE2 LYS 35 -15.313 -13.544 -1.831 213 HE3 LYS 35 HE1 LYS 35 -15.119 -14.164 -3.472 214 HZ1 LYS 35 HZ1 LYS 35 -13.224 -15.021 -1.413 215 HZ2 LYS 35 HZ2 LYS 35 -13.785 -15.850 -2.786 216 HZ3 LYS 35 HZ3 LYS 35 -14.779 -15.698 -1.415 217 H VAL 36 HN VAL 36 -14.032 -9.235 -6.852 218 HA VAL 36 HA VAL 36 -11.655 -8.140 -5.787 219 HB VAL 36 HB VAL 36 -13.062 -7.572 -8.407 220 HG11 VAL 36 HG11 VAL 36 -11.519 -5.789 -8.023 221 HG12 VAL 36 HG12 VAL 36 -10.684 -6.922 -9.088 222 HG13 VAL 36 HG13 VAL 36 -10.307 -6.888 -7.365 223 HG21 VAL 36 HG21 VAL 36 -10.672 -9.355 -7.870 224 HG22 VAL 36 HG22 VAL 36 -11.641 -9.261 -9.342 225 HG23 VAL 36 HG23 VAL 36 -12.327 -9.968 -7.877 226 H SER 37 HN SER 37 -11.116 -6.094 -5.203 227 HA SER 37 HA SER 37 -13.122 -4.400 -4.170 228 HB2 SER 37 HB2 SER 37 -10.874 -4.413 -3.221 229 HB3 SER 37 HB1 SER 37 -10.201 -3.832 -4.740 230 HG SER 37 HG SER 37 -10.683 -2.227 -3.028 231 H GLN 38 HN GLN 38 -13.888 -2.415 -4.870 232 HA GLN 38 HA GLN 38 -14.505 -2.094 -7.537 233 HB2 GLN 38 HB2 GLN 38 -15.181 0.168 -6.993 234 HB3 GLN 38 HB1 GLN 38 -15.538 -0.845 -5.593 235 HG2 GLN 38 HG2 GLN 38 -13.248 -0.153 -4.685 236 HG3 GLN 38 HG1 GLN 38 -13.220 1.062 -5.961 237 HE21 GLN 38 HE21 GLN 38 -13.335 1.567 -3.051 238 HE22 GLN 38 HE22 GLN 38 -14.773 2.426 -2.780 239 H ALA 39 HN ALA 39 -11.773 -0.696 -5.760 240 HA ALA 39 HA ALA 39 -10.745 0.800 -7.952 241 HB1 ALA 39 HB1 ALA 39 -9.311 -0.335 -5.533 242 HB2 ALA 39 HB2 ALA 39 -10.068 1.253 -5.628 243 HB3 ALA 39 HB3 ALA 39 -8.652 0.889 -6.618 244 H THR 40 HN THR 40 -9.702 -2.324 -6.563 245 HA THR 40 HA THR 40 -7.827 -2.908 -8.578 246 HB THR 40 HB THR 40 -9.362 -4.821 -6.802 247 HG1 THR 40 HG1 THR 40 -8.021 -3.078 -5.861 248 HG21 THR 40 HG21 THR 40 -7.295 -6.239 -7.187 249 HG22 THR 40 HG22 THR 40 -6.854 -5.119 -8.474 250 HG23 THR 40 HG23 THR 40 -8.342 -6.059 -8.594 251 H ARG 41 HN ARG 41 -11.257 -3.128 -8.479 252 HA ARG 41 HA ARG 41 -11.628 -5.123 -10.483 253 HB2 ARG 41 HB2 ARG 41 -13.400 -4.466 -8.869 254 HB3 ARG 41 HB1 ARG 41 -13.501 -2.889 -9.655 255 HG2 ARG 41 HG2 ARG 41 -14.162 -3.924 -11.753 256 HG3 ARG 41 HG1 ARG 41 -13.928 -5.534 -11.070 257 HD2 ARG 41 HD2 ARG 41 -16.299 -5.000 -11.012 258 HD3 ARG 41 HD1 ARG 41 -15.677 -5.023 -9.365 259 HE ARG 41 HE ARG 41 -15.531 -2.389 -10.413 260 HH11 ARG 41 HH21 ARG 41 -17.753 -4.794 -9.296 261 HH12 ARG 41 HH22 ARG 41 -18.936 -3.649 -8.756 262 HH21 ARG 41 HH11 ARG 41 -17.076 -0.882 -9.708 263 HH22 ARG 41 HH12 ARG 41 -18.552 -1.434 -8.991 264 H ASN 42 HN ASN 42 -11.473 -1.580 -10.525 265 HA ASN 42 HA ASN 42 -12.052 -1.278 -13.284 266 HB2 ASN 42 HB2 ASN 42 -12.275 0.595 -11.745 267 HB3 ASN 42 HB1 ASN 42 -10.549 0.546 -11.392 268 HD21 ASN 42 HD21 ASN 42 -10.479 2.824 -12.241 269 HD22 ASN 42 HD22 ASN 42 -10.438 3.078 -13.919 270 H ARG 43 HN ARG 43 -9.076 -1.727 -11.480 271 HA ARG 43 HA ARG 43 -7.265 -1.202 -13.591 272 HB2 ARG 43 HB2 ARG 43 -6.592 -1.250 -11.213 273 HB3 ARG 43 HB1 ARG 43 -6.885 -2.991 -11.177 274 HG2 ARG 43 HG2 ARG 43 -5.158 -3.390 -12.810 275 HG3 ARG 43 HG1 ARG 43 -4.965 -1.662 -13.109 276 HD2 ARG 43 HD2 ARG 43 -4.468 -2.979 -10.428 277 HD3 ARG 43 HD1 ARG 43 -3.201 -2.635 -11.604 278 HE ARG 43 HE ARG 43 -4.602 -0.251 -11.173 279 HH11 ARG 43 HH21 ARG 43 -2.660 -2.522 -9.431 280 HH12 ARG 43 HH22 ARG 43 -2.033 -1.347 -8.324 281 HH21 ARG 43 HH11 ARG 43 -3.785 1.296 -9.724 282 HH22 ARG 43 HH12 ARG 43 -2.670 0.816 -8.490 283 H VAL 44 HN VAL 44 -8.791 -4.181 -12.416 284 HA VAL 44 HA VAL 44 -7.430 -5.954 -14.126 285 HB VAL 44 HB VAL 44 -10.150 -6.105 -12.814 286 HG11 VAL 44 HG11 VAL 44 -10.324 -7.587 -14.674 287 HG12 VAL 44 HG12 VAL 44 -9.884 -8.607 -13.304 288 HG13 VAL 44 HG13 VAL 44 -8.661 -8.142 -14.486 289 HG21 VAL 44 HG21 VAL 44 -7.938 -6.097 -11.477 290 HG22 VAL 44 HG22 VAL 44 -7.648 -7.683 -12.188 291 HG23 VAL 44 HG23 VAL 44 -9.062 -7.419 -11.167 292 H GLU 45 HN GLU 45 -10.570 -4.329 -14.482 293 HA GLU 45 HA GLU 45 -11.353 -5.385 -16.918 294 HB2 GLU 45 HB2 GLU 45 -11.785 -2.635 -15.743 295 HB3 GLU 45 HB1 GLU 45 -12.551 -3.162 -17.239 296 HG2 GLU 45 HG2 GLU 45 -13.637 -5.020 -16.072 297 HG3 GLU 45 HG1 GLU 45 -12.810 -4.596 -14.574 298 H LYS 46 HN LYS 46 -9.349 -2.501 -16.327 299 HA LYS 46 HA LYS 46 -8.920 -1.949 -19.090 300 HB2 LYS 46 HB2 LYS 46 -8.679 -0.258 -17.286 301 HB3 LYS 46 HB1 LYS 46 -7.253 -1.120 -16.704 302 HG2 LYS 46 HG2 LYS 46 -6.137 -0.778 -18.873 303 HG3 LYS 46 HG1 LYS 46 -7.570 0.045 -19.490 304 HD2 LYS 46 HD2 LYS 46 -7.333 1.773 -17.749 305 HD3 LYS 46 HD1 LYS 46 -5.894 0.958 -17.135 306 HE2 LYS 46 HE2 LYS 46 -5.024 2.637 -18.552 307 HE3 LYS 46 HE1 LYS 46 -4.980 1.187 -19.552 308 HZ1 LYS 46 HZ1 LYS 46 -5.953 3.222 -20.617 309 HZ2 LYS 46 HZ2 LYS 46 -7.267 3.070 -19.553 310 HZ3 LYS 46 HZ3 LYS 46 -6.931 1.837 -20.672 311 H ALA 47 HN ALA 47 -7.122 -3.726 -16.625 312 HA ALA 47 HA ALA 47 -4.802 -4.214 -18.191 313 HB1 ALA 47 HB1 ALA 47 -4.115 -5.663 -16.470 314 HB2 ALA 47 HB2 ALA 47 -5.773 -6.028 -15.990 315 HB3 ALA 47 HB3 ALA 47 -5.081 -4.443 -15.643 316 H ALA 48 HN ALA 48 -7.955 -5.600 -18.151 317 HA ALA 48 HA ALA 48 -7.363 -8.193 -19.135 318 HB1 ALA 48 HB1 ALA 48 -9.698 -8.331 -19.680 319 HB2 ALA 48 HB2 ALA 48 -9.857 -6.575 -19.688 320 HB3 ALA 48 HB3 ALA 48 -9.563 -7.427 -18.173 321 H ARG 49 HN ARG 49 -8.078 -5.124 -20.757 322 HA ARG 49 HA ARG 49 -7.915 -6.258 -23.394 323 HB2 ARG 49 HB2 ARG 49 -9.267 -4.241 -22.901 324 HB3 ARG 49 HB1 ARG 49 -7.781 -3.358 -22.551 325 HG2 ARG 49 HG2 ARG 49 -6.980 -3.727 -24.838 326 HG3 ARG 49 HG1 ARG 49 -8.405 -4.700 -25.205 327 HD2 ARG 49 HD2 ARG 49 -8.504 -1.799 -24.340 328 HD3 ARG 49 HD1 ARG 49 -8.583 -2.337 -26.016 329 HE ARG 49 HE ARG 49 -10.562 -3.727 -24.614 330 HH11 ARG 49 HH21 ARG 49 -9.712 -0.477 -25.440 331 HH12 ARG 49 HH22 ARG 49 -11.349 0.090 -25.472 332 HH21 ARG 49 HH11 ARG 49 -12.711 -2.992 -24.652 333 HH22 ARG 49 HH12 ARG 49 -13.046 -1.334 -25.025 334 H GLU 50 HN GLU 50 -5.723 -4.490 -21.252 335 HA GLU 50 HA GLU 50 -3.664 -4.006 -23.093 336 HB2 GLU 50 HB2 GLU 50 -3.905 -3.000 -20.794 337 HB3 GLU 50 HB1 GLU 50 -3.348 -4.540 -20.132 338 HG2 GLU 50 HG2 GLU 50 -1.419 -3.120 -20.320 339 HG3 GLU 50 HG1 GLU 50 -1.304 -4.317 -21.606 340 H VAL 51 HN VAL 51 -4.184 -6.740 -20.842 341 HA VAL 51 HA VAL 51 -1.817 -8.115 -21.683 342 HB VAL 51 HB VAL 51 -2.922 -8.393 -19.448 343 HG11 VAL 51 HG11 VAL 51 -4.886 -10.155 -20.920 344 HG12 VAL 51 HG12 VAL 51 -5.247 -8.483 -20.503 345 HG13 VAL 51 HG13 VAL 51 -4.927 -9.655 -19.227 346 HG21 VAL 51 HG21 VAL 51 -2.567 -10.834 -19.353 347 HG22 VAL 51 HG22 VAL 51 -1.311 -10.048 -20.310 348 HG23 VAL 51 HG23 VAL 51 -2.622 -10.909 -21.116 349 H GLY 52 HN GLY 52 -5.072 -7.890 -22.826 350 HA2 GLY 52 HA2 GLY 52 -6.213 -8.941 -24.523 351 HA3 GLY 52 HA1 GLY 52 -4.632 -9.060 -25.291 352 H TYR 53 HN TYR 53 -6.312 -10.603 -22.545 353 HA TYR 53 HA TYR 53 -4.985 -13.114 -22.967 354 HB2 TYR 53 HB2 TYR 53 -5.760 -12.491 -20.734 355 HB3 TYR 53 HB1 TYR 53 -7.423 -12.408 -21.313 356 HD1 TYR 53 HD2 TYR 53 -4.534 -14.797 -21.343 357 HD2 TYR 53 HD1 TYR 53 -8.779 -14.291 -20.973 358 HE1 TYR 53 HE2 TYR 53 -4.782 -17.223 -20.914 359 HE2 TYR 53 HE1 TYR 53 -9.031 -16.721 -20.551 360 HH TYR 53 HH TYR 53 -7.439 -18.593 -19.592 361 H LEU 54 HN LEU 54 -5.388 -14.341 -24.646 362 HA LEU 54 HA LEU 54 -8.139 -14.567 -25.723 363 HB2 LEU 54 HB2 LEU 54 -5.546 -15.234 -27.128 364 HB3 LEU 54 HB1 LEU 54 -7.157 -15.237 -27.825 365 HG LEU 54 HG LEU 54 -6.286 -12.687 -26.511 366 HD11 LEU 54 HD11 LEU 54 -4.261 -13.266 -27.712 367 HD12 LEU 54 HD12 LEU 54 -5.101 -11.976 -28.574 368 HD13 LEU 54 HD13 LEU 54 -5.188 -13.638 -29.165 369 HD21 LEU 54 HD21 LEU 54 -7.632 -13.224 -29.170 370 HD22 LEU 54 HD22 LEU 54 -7.629 -11.715 -28.256 371 HD23 LEU 54 HD23 LEU 54 -8.511 -13.116 -27.646 372 HA PRO 55 HA PRO 55 -6.567 -19.014 -25.208 373 HB2 PRO 55 HB2 PRO 55 -4.276 -19.486 -23.790 374 HB3 PRO 55 HB1 PRO 55 -4.274 -19.103 -25.520 375 HG2 PRO 55 HG2 PRO 55 -3.475 -17.414 -23.227 376 HG3 PRO 55 HG1 PRO 55 -2.971 -17.328 -24.925 377 HD2 PRO 55 HD2 PRO 55 -4.932 -15.711 -23.618 378 HD3 PRO 55 HD1 PRO 55 -4.501 -15.701 -25.329 Start of MODEL 6 1 H1 ALA 9 HT1 ALA 9 2.151 -11.235 -23.217 2 H2 ALA 9 HT2 ALA 9 2.328 -11.527 -24.881 3 H3 ALA 9 HT3 ALA 9 3.580 -11.933 -23.806 4 HA ALA 9 HA ALA 9 1.037 -13.303 -24.310 5 HB1 ALA 9 HB1 ALA 9 3.003 -14.230 -25.343 6 HB2 ALA 9 HB2 ALA 9 2.600 -15.274 -23.979 7 HB3 ALA 9 HB3 ALA 9 3.918 -14.109 -23.840 8 H ALA 10 HN ALA 10 0.864 -11.655 -22.107 9 HA ALA 10 HA ALA 10 1.527 -13.157 -19.705 10 HB1 ALA 10 HB1 ALA 10 0.107 -10.536 -20.195 11 HB2 ALA 10 HB2 ALA 10 1.695 -10.796 -19.473 12 HB3 ALA 10 HB3 ALA 10 0.239 -11.261 -18.592 13 H THR 11 HN THR 11 -0.438 -13.146 -18.024 14 HA THR 11 HA THR 11 -2.930 -14.013 -19.304 15 HB THR 11 HB THR 11 -1.315 -15.743 -17.417 16 HG1 THR 11 HG1 THR 11 -2.153 -16.176 -20.083 17 HG21 THR 11 HG21 THR 11 -4.112 -15.965 -18.531 18 HG22 THR 11 HG22 THR 11 -3.595 -16.064 -16.851 19 HG23 THR 11 HG23 THR 11 -3.219 -17.376 -17.963 20 H MET 12 HN MET 12 -4.686 -14.286 -17.705 21 HA MET 12 HA MET 12 -4.936 -12.101 -16.008 22 HB2 MET 12 HB2 MET 12 -6.358 -14.758 -16.124 23 HB3 MET 12 HB1 MET 12 -6.818 -13.510 -14.968 24 HG2 MET 12 HG2 MET 12 -7.238 -11.931 -16.781 25 HG3 MET 12 HG1 MET 12 -6.665 -13.102 -17.966 26 HE1 MET 12 HE1 MET 12 -9.342 -11.809 -15.726 27 HE2 MET 12 HE2 MET 12 -9.098 -13.273 -14.775 28 HE3 MET 12 HE3 MET 12 -10.609 -13.043 -15.649 29 H LYS 13 HN LYS 13 -3.897 -15.409 -15.281 30 HA LYS 13 HA LYS 13 -3.791 -15.168 -12.484 31 HB2 LYS 13 HB2 LYS 13 -2.605 -17.209 -12.501 32 HB3 LYS 13 HB1 LYS 13 -3.610 -17.285 -13.947 33 HG2 LYS 13 HG2 LYS 13 -1.644 -16.392 -15.253 34 HG3 LYS 13 HG1 LYS 13 -0.668 -16.581 -13.800 35 HD2 LYS 13 HD2 LYS 13 -1.233 -18.980 -13.739 36 HD3 LYS 13 HD1 LYS 13 -2.168 -18.787 -15.227 37 HE2 LYS 13 HE2 LYS 13 -0.167 -17.987 -16.391 38 HE3 LYS 13 HE1 LYS 13 0.770 -18.161 -14.909 39 HZ1 LYS 13 HZ1 LYS 13 -0.297 -20.582 -15.083 40 HZ2 LYS 13 HZ2 LYS 13 1.199 -20.186 -15.784 41 HZ3 LYS 13 HZ3 LYS 13 -0.210 -20.208 -16.735 42 H ASP 14 HN ASP 14 -1.394 -14.510 -15.000 43 HA ASP 14 HA ASP 14 0.752 -13.953 -13.300 44 HB2 ASP 14 HB2 ASP 14 0.105 -13.085 -16.110 45 HB3 ASP 14 HB1 ASP 14 1.595 -12.606 -15.302 46 H VAL 15 HN VAL 15 -1.876 -11.945 -14.505 47 HA VAL 15 HA VAL 15 -0.859 -9.452 -13.746 48 HB VAL 15 HB VAL 15 -3.698 -10.474 -14.005 49 HG11 VAL 15 HG11 VAL 15 -3.881 -8.598 -12.555 50 HG12 VAL 15 HG12 VAL 15 -4.218 -7.969 -14.168 51 HG13 VAL 15 HG13 VAL 15 -2.638 -7.702 -13.430 52 HG21 VAL 15 HG21 VAL 15 -3.587 -9.082 -16.098 53 HG22 VAL 15 HG22 VAL 15 -2.470 -10.446 -16.103 54 HG23 VAL 15 HG23 VAL 15 -1.874 -8.819 -15.775 55 H ALA 16 HN ALA 16 -2.768 -11.853 -11.969 56 HA ALA 16 HA ALA 16 -3.386 -10.420 -9.680 57 HB1 ALA 16 HB1 ALA 16 -3.742 -12.488 -8.611 58 HB2 ALA 16 HB2 ALA 16 -2.458 -13.286 -9.520 59 HB3 ALA 16 HB3 ALA 16 -3.972 -12.870 -10.316 60 H LEU 17 HN LEU 17 -0.402 -12.098 -10.523 61 HA LEU 17 HA LEU 17 0.937 -11.822 -8.080 62 HB2 LEU 17 HB2 LEU 17 1.832 -13.227 -9.862 63 HB3 LEU 17 HB1 LEU 17 2.086 -11.813 -10.881 64 HG LEU 17 HG LEU 17 3.713 -10.908 -9.274 65 HD11 LEU 17 HD11 LEU 17 3.071 -11.613 -7.134 66 HD12 LEU 17 HD12 LEU 17 4.447 -12.673 -7.442 67 HD13 LEU 17 HD13 LEU 17 2.803 -13.279 -7.647 68 HD21 LEU 17 HD21 LEU 17 4.225 -13.816 -9.991 69 HD22 LEU 17 HD22 LEU 17 5.469 -12.642 -9.562 70 HD23 LEU 17 HD23 LEU 17 4.523 -12.428 -11.036 71 H LYS 18 HN LYS 18 0.730 -9.611 -10.850 72 HA LYS 18 HA LYS 18 2.445 -7.641 -9.631 73 HB2 LYS 18 HB2 LYS 18 0.566 -7.532 -11.994 74 HB3 LYS 18 HB1 LYS 18 1.632 -6.210 -11.514 75 HG2 LYS 18 HG2 LYS 18 3.596 -7.660 -11.797 76 HG3 LYS 18 HG1 LYS 18 2.551 -9.021 -12.204 77 HD2 LYS 18 HD2 LYS 18 3.163 -8.262 -14.331 78 HD3 LYS 18 HD1 LYS 18 1.641 -7.407 -14.083 79 HE2 LYS 18 HE2 LYS 18 3.382 -5.875 -14.929 80 HE3 LYS 18 HE1 LYS 18 2.895 -5.421 -13.296 81 HZ1 LYS 18 HZ1 LYS 18 5.169 -7.242 -13.760 82 HZ2 LYS 18 HZ2 LYS 18 4.824 -6.299 -12.390 83 HZ3 LYS 18 HZ3 LYS 18 5.377 -5.560 -13.816 84 H ALA 19 HN ALA 19 -1.033 -7.793 -10.340 85 HA ALA 19 HA ALA 19 -1.679 -5.391 -8.952 86 HB1 ALA 19 HB1 ALA 19 -3.301 -7.688 -10.031 87 HB2 ALA 19 HB2 ALA 19 -3.288 -6.004 -10.547 88 HB3 ALA 19 HB3 ALA 19 -4.068 -6.453 -9.031 89 H LYS 20 HN LYS 20 -0.851 -8.480 -7.871 90 HA LYS 20 HA LYS 20 -0.973 -9.549 -5.851 91 HB2 LYS 20 HB2 LYS 20 0.349 -7.388 -5.409 92 HB3 LYS 20 HB1 LYS 20 -1.123 -6.796 -4.637 93 HG2 LYS 20 HG2 LYS 20 -1.112 -8.700 -3.081 94 HG3 LYS 20 HG1 LYS 20 0.304 -9.377 -3.888 95 HD2 LYS 20 HD2 LYS 20 1.598 -7.360 -3.297 96 HD3 LYS 20 HD1 LYS 20 0.185 -6.707 -2.466 97 HE2 LYS 20 HE2 LYS 20 0.174 -8.631 -0.934 98 HE3 LYS 20 HE1 LYS 20 1.566 -9.317 -1.773 99 HZ1 LYS 20 HZ1 LYS 20 1.480 -7.272 0.211 100 HZ2 LYS 20 HZ2 LYS 20 2.306 -6.753 -1.178 101 HZ3 LYS 20 HZ3 LYS 20 2.806 -8.158 -0.366 102 H VAL 21 HN VAL 21 -3.418 -9.556 -7.001 103 HA VAL 21 HA VAL 21 -5.400 -8.491 -5.157 104 HB VAL 21 HB VAL 21 -5.875 -10.426 -7.424 105 HG11 VAL 21 HG11 VAL 21 -7.793 -10.149 -6.005 106 HG12 VAL 21 HG12 VAL 21 -8.077 -9.184 -7.453 107 HG13 VAL 21 HG13 VAL 21 -7.578 -8.401 -5.953 108 HG21 VAL 21 HG21 VAL 21 -6.348 -8.312 -8.744 109 HG22 VAL 21 HG22 VAL 21 -4.648 -8.616 -8.386 110 HG23 VAL 21 HG23 VAL 21 -5.543 -7.420 -7.450 111 H SER 22 HN SER 22 -5.287 -11.770 -6.464 112 HA SER 22 HA SER 22 -4.629 -13.215 -4.202 113 HB2 SER 22 HB2 SER 22 -6.368 -12.642 -2.808 114 HB3 SER 22 HB1 SER 22 -7.386 -12.118 -4.142 115 HG SER 22 HG SER 22 -6.952 -14.710 -3.123 116 H THR 23 HN THR 23 -4.340 -15.254 -4.854 117 HA THR 23 HA THR 23 -4.785 -16.128 -7.434 118 HB THR 23 HB THR 23 -4.744 -17.965 -5.044 119 HG1 THR 23 HG1 THR 23 -2.949 -16.126 -5.821 120 HG21 THR 23 HG21 THR 23 -5.131 -18.864 -7.380 121 HG22 THR 23 HG22 THR 23 -3.705 -19.508 -6.566 122 HG23 THR 23 HG23 THR 23 -3.527 -18.260 -7.798 123 H ALA 24 HN ALA 24 -6.899 -16.472 -4.571 124 HA ALA 24 HA ALA 24 -8.781 -18.182 -5.868 125 HB1 ALA 24 HB1 ALA 24 -8.988 -16.425 -3.421 126 HB2 ALA 24 HB2 ALA 24 -8.592 -18.143 -3.459 127 HB3 ALA 24 HB3 ALA 24 -10.206 -17.600 -3.917 128 H THR 25 HN THR 25 -8.630 -14.703 -5.254 129 HA THR 25 HA THR 25 -11.198 -13.985 -6.148 130 HB THR 25 HB THR 25 -10.154 -11.747 -6.656 131 HG1 THR 25 HG1 THR 25 -8.096 -11.780 -6.963 132 HG21 THR 25 HG21 THR 25 -9.569 -11.319 -4.282 133 HG22 THR 25 HG22 THR 25 -9.520 -13.059 -3.998 134 HG23 THR 25 HG23 THR 25 -11.040 -12.279 -4.437 135 H VAL 26 HN VAL 26 -8.175 -13.628 -8.020 136 HA VAL 26 HA VAL 26 -9.428 -13.155 -10.472 137 HB VAL 26 HB VAL 26 -6.697 -14.268 -9.809 138 HG11 VAL 26 HG11 VAL 26 -6.181 -13.571 -12.228 139 HG12 VAL 26 HG12 VAL 26 -7.924 -13.586 -12.492 140 HG13 VAL 26 HG13 VAL 26 -7.091 -15.067 -12.018 141 HG21 VAL 26 HG21 VAL 26 -6.060 -11.944 -10.668 142 HG22 VAL 26 HG22 VAL 26 -6.902 -11.985 -9.120 143 HG23 VAL 26 HG23 VAL 26 -7.774 -11.548 -10.591 144 H SER 27 HN SER 27 -8.438 -16.180 -8.937 145 HA SER 27 HA SER 27 -8.808 -17.897 -11.135 146 HB2 SER 27 HB2 SER 27 -7.714 -18.791 -9.231 147 HB3 SER 27 HB1 SER 27 -9.028 -18.309 -8.163 148 HG SER 27 HG SER 27 -10.357 -19.811 -9.245 149 H ARG 28 HN ARG 28 -11.096 -16.813 -8.616 150 HA ARG 28 HA ARG 28 -13.281 -18.322 -9.746 151 HB2 ARG 28 HB2 ARG 28 -13.147 -16.215 -7.582 152 HB3 ARG 28 HB1 ARG 28 -14.626 -17.056 -8.048 153 HG2 ARG 28 HG2 ARG 28 -13.575 -19.219 -7.521 154 HG3 ARG 28 HG1 ARG 28 -12.085 -18.388 -7.070 155 HD2 ARG 28 HD2 ARG 28 -13.305 -17.171 -5.297 156 HD3 ARG 28 HD1 ARG 28 -14.784 -18.019 -5.739 157 HE ARG 28 HE ARG 28 -12.884 -19.983 -5.215 158 HH11 ARG 28 HH21 ARG 28 -14.424 -17.352 -3.576 159 HH12 ARG 28 HH22 ARG 28 -14.337 -18.094 -2.014 160 HH21 ARG 28 HH11 ARG 28 -12.767 -20.962 -3.167 161 HH22 ARG 28 HH12 ARG 28 -13.400 -20.137 -1.782 162 H ALA 29 HN ALA 29 -11.837 -15.263 -10.297 163 HA ALA 29 HA ALA 29 -14.053 -13.742 -11.121 164 HB1 ALA 29 HB1 ALA 29 -12.460 -12.318 -12.255 165 HB2 ALA 29 HB2 ALA 29 -11.238 -13.590 -12.222 166 HB3 ALA 29 HB3 ALA 29 -11.767 -12.833 -10.719 167 H LEU 30 HN LEU 30 -12.496 -16.406 -12.563 168 HA LEU 30 HA LEU 30 -12.958 -15.920 -15.284 169 HB2 LEU 30 HB2 LEU 30 -12.575 -18.397 -13.636 170 HB3 LEU 30 HB1 LEU 30 -13.079 -18.563 -15.319 171 HG LEU 30 HG LEU 30 -10.603 -18.643 -15.021 172 HD11 LEU 30 HD11 LEU 30 -10.260 -17.647 -17.048 173 HD12 LEU 30 HD12 LEU 30 -10.908 -16.094 -16.520 174 HD13 LEU 30 HD13 LEU 30 -12.003 -17.383 -17.030 175 HD21 LEU 30 HD21 LEU 30 -9.380 -16.690 -14.305 176 HD22 LEU 30 HD22 LEU 30 -10.608 -17.023 -13.086 177 HD23 LEU 30 HD23 LEU 30 -10.855 -15.722 -14.253 178 H MET 31 HN MET 31 -15.047 -17.305 -12.789 179 HA MET 31 HA MET 31 -17.259 -17.395 -14.755 180 HB2 MET 31 HB2 MET 31 -16.823 -18.860 -12.149 181 HB3 MET 31 HB1 MET 31 -18.324 -18.912 -13.075 182 HG2 MET 31 HG2 MET 31 -17.062 -19.769 -15.035 183 HG3 MET 31 HG1 MET 31 -15.588 -19.767 -14.069 184 HE1 MET 31 HE1 MET 31 -15.977 -23.492 -14.100 185 HE2 MET 31 HE2 MET 31 -15.032 -22.052 -14.466 186 HE3 MET 31 HE3 MET 31 -16.424 -22.462 -15.465 187 H ASN 32 HN ASN 32 -16.037 -15.830 -11.945 188 HA ASN 32 HA ASN 32 -18.530 -14.267 -11.733 189 HB2 ASN 32 HB2 ASN 32 -17.036 -15.400 -9.360 190 HB3 ASN 32 HB1 ASN 32 -18.461 -14.364 -9.301 191 HD21 ASN 32 HD21 ASN 32 -17.644 -17.529 -8.953 192 HD22 ASN 32 HD22 ASN 32 -19.063 -18.265 -9.525 193 HA PRO 33 HA PRO 33 -14.740 -11.605 -11.725 194 HB2 PRO 33 HB2 PRO 33 -15.379 -10.045 -13.864 195 HB3 PRO 33 HB1 PRO 33 -14.607 -11.634 -14.041 196 HG2 PRO 33 HG2 PRO 33 -17.452 -10.857 -14.454 197 HG3 PRO 33 HG1 PRO 33 -16.464 -12.037 -15.334 198 HD2 PRO 33 HD2 PRO 33 -18.324 -12.677 -13.345 199 HD3 PRO 33 HD1 PRO 33 -17.008 -13.742 -13.880 200 H ASP 34 HN ASP 34 -16.467 -11.250 -9.775 201 HA ASP 34 HA ASP 34 -16.887 -8.370 -9.733 202 HB2 ASP 34 HB2 ASP 34 -19.169 -10.334 -9.537 203 HB3 ASP 34 HB1 ASP 34 -19.269 -8.687 -8.918 204 H LYS 35 HN LYS 35 -15.359 -10.581 -8.342 205 HA LYS 35 HA LYS 35 -16.275 -10.081 -5.565 206 HB2 LYS 35 HB2 LYS 35 -14.561 -12.348 -6.609 207 HB3 LYS 35 HB1 LYS 35 -15.158 -12.159 -4.958 208 HG2 LYS 35 HG2 LYS 35 -16.957 -12.389 -7.389 209 HG3 LYS 35 HG1 LYS 35 -16.517 -13.754 -6.364 210 HD2 LYS 35 HD2 LYS 35 -17.421 -12.309 -4.404 211 HD3 LYS 35 HD1 LYS 35 -18.185 -11.334 -5.659 212 HE2 LYS 35 HE2 LYS 35 -19.830 -12.926 -5.067 213 HE3 LYS 35 HE1 LYS 35 -19.132 -13.545 -6.564 214 HZ1 LYS 35 HZ1 LYS 35 -19.355 -15.237 -4.799 215 HZ2 LYS 35 HZ2 LYS 35 -18.252 -14.358 -3.850 216 HZ3 LYS 35 HZ3 LYS 35 -17.757 -15.032 -5.328 217 H VAL 36 HN VAL 36 -14.567 -8.376 -7.282 218 HA VAL 36 HA VAL 36 -12.124 -8.388 -5.595 219 HB VAL 36 HB VAL 36 -11.062 -7.173 -7.536 220 HG11 VAL 36 HG11 VAL 36 -12.108 -9.995 -7.888 221 HG12 VAL 36 HG12 VAL 36 -10.557 -9.505 -7.204 222 HG13 VAL 36 HG13 VAL 36 -10.872 -9.283 -8.925 223 HG21 VAL 36 HG21 VAL 36 -12.165 -7.397 -9.727 224 HG22 VAL 36 HG22 VAL 36 -13.179 -6.470 -8.622 225 HG23 VAL 36 HG23 VAL 36 -13.557 -8.159 -8.959 226 H SER 37 HN SER 37 -11.246 -6.295 -5.122 227 HA SER 37 HA SER 37 -13.100 -4.471 -4.105 228 HB2 SER 37 HB2 SER 37 -10.148 -4.272 -4.683 229 HB3 SER 37 HB1 SER 37 -11.046 -2.906 -4.026 230 HG SER 37 HG SER 37 -10.050 -4.929 -2.709 231 H GLN 38 HN GLN 38 -13.654 -2.368 -4.739 232 HA GLN 38 HA GLN 38 -14.443 -2.040 -7.375 233 HB2 GLN 38 HB2 GLN 38 -15.283 -0.695 -5.427 234 HB3 GLN 38 HB1 GLN 38 -13.770 0.205 -5.454 235 HG2 GLN 38 HG2 GLN 38 -15.450 1.462 -6.683 236 HG3 GLN 38 HG1 GLN 38 -14.251 0.854 -7.826 237 HE21 GLN 38 HE21 GLN 38 -15.634 0.640 -9.664 238 HE22 GLN 38 HE22 GLN 38 -16.958 -0.422 -9.702 239 H ALA 39 HN ALA 39 -11.504 -0.853 -5.774 240 HA ALA 39 HA ALA 39 -10.500 0.556 -8.028 241 HB1 ALA 39 HB1 ALA 39 -9.610 0.887 -5.750 242 HB2 ALA 39 HB2 ALA 39 -8.316 0.428 -6.860 243 HB3 ALA 39 HB3 ALA 39 -8.994 -0.766 -5.753 244 H THR 40 HN THR 40 -9.658 -2.688 -6.762 245 HA THR 40 HA THR 40 -8.015 -3.418 -8.922 246 HB THR 40 HB THR 40 -9.600 -5.138 -7.004 247 HG1 THR 40 HG1 THR 40 -6.964 -5.176 -6.678 248 HG21 THR 40 HG21 THR 40 -9.089 -6.533 -8.860 249 HG22 THR 40 HG22 THR 40 -7.826 -6.852 -7.672 250 HG23 THR 40 HG23 THR 40 -7.490 -5.816 -9.057 251 H ARG 41 HN ARG 41 -11.438 -3.276 -8.583 252 HA ARG 41 HA ARG 41 -12.181 -5.207 -10.529 253 HB2 ARG 41 HB2 ARG 41 -13.760 -4.230 -8.858 254 HB3 ARG 41 HB1 ARG 41 -13.669 -2.695 -9.717 255 HG2 ARG 41 HG2 ARG 41 -14.544 -3.745 -11.745 256 HG3 ARG 41 HG1 ARG 41 -14.600 -5.307 -10.927 257 HD2 ARG 41 HD2 ARG 41 -16.192 -4.406 -9.284 258 HD3 ARG 41 HD1 ARG 41 -16.123 -2.830 -10.070 259 HE ARG 41 HE ARG 41 -16.845 -4.606 -12.060 260 HH11 ARG 41 HH21 ARG 41 -18.020 -3.647 -8.950 261 HH12 ARG 41 HH22 ARG 41 -19.683 -3.937 -9.337 262 HH21 ARG 41 HH11 ARG 41 -19.021 -4.986 -12.575 263 HH22 ARG 41 HH12 ARG 41 -20.249 -4.694 -11.390 264 H ASN 42 HN ASN 42 -11.623 -1.692 -10.704 265 HA ASN 42 HA ASN 42 -12.230 -1.461 -13.462 266 HB2 ASN 42 HB2 ASN 42 -10.680 0.260 -11.536 267 HB3 ASN 42 HB1 ASN 42 -10.830 0.689 -13.239 268 HD21 ASN 42 HD21 ASN 42 -11.979 2.293 -11.134 269 HD22 ASN 42 HD22 ASN 42 -13.668 2.226 -11.295 270 H ARG 43 HN ARG 43 -9.210 -1.986 -11.710 271 HA ARG 43 HA ARG 43 -7.455 -1.786 -13.904 272 HB2 ARG 43 HB2 ARG 43 -7.247 -3.241 -11.263 273 HB3 ARG 43 HB1 ARG 43 -5.927 -3.173 -12.430 274 HG2 ARG 43 HG2 ARG 43 -5.932 -0.724 -12.338 275 HG3 ARG 43 HG1 ARG 43 -7.300 -0.751 -11.224 276 HD2 ARG 43 HD2 ARG 43 -5.937 -1.990 -9.580 277 HD3 ARG 43 HD1 ARG 43 -4.570 -1.958 -10.691 278 HE ARG 43 HE ARG 43 -5.370 0.690 -10.326 279 HH11 ARG 43 HH21 ARG 43 -4.184 -1.969 -8.455 280 HH12 ARG 43 HH22 ARG 43 -3.377 -0.970 -7.292 281 HH21 ARG 43 HH11 ARG 43 -4.317 2.006 -8.804 282 HH22 ARG 43 HH12 ARG 43 -3.454 1.281 -7.489 283 H VAL 44 HN VAL 44 -9.184 -4.536 -12.479 284 HA VAL 44 HA VAL 44 -8.007 -6.536 -14.067 285 HB VAL 44 HB VAL 44 -10.676 -6.340 -12.668 286 HG11 VAL 44 HG11 VAL 44 -10.702 -8.893 -13.060 287 HG12 VAL 44 HG12 VAL 44 -9.545 -8.577 -14.355 288 HG13 VAL 44 HG13 VAL 44 -11.157 -7.865 -14.420 289 HG21 VAL 44 HG21 VAL 44 -8.373 -6.565 -11.465 290 HG22 VAL 44 HG22 VAL 44 -8.386 -8.218 -12.077 291 HG23 VAL 44 HG23 VAL 44 -9.668 -7.667 -10.999 292 H GLU 45 HN GLU 45 -11.009 -4.680 -14.514 293 HA GLU 45 HA GLU 45 -11.943 -5.836 -16.835 294 HB2 GLU 45 HB2 GLU 45 -13.092 -4.020 -15.529 295 HB3 GLU 45 HB1 GLU 45 -11.983 -2.863 -16.261 296 HG2 GLU 45 HG2 GLU 45 -13.980 -2.823 -17.580 297 HG3 GLU 45 HG1 GLU 45 -12.781 -3.705 -18.525 298 H LYS 46 HN LYS 46 -9.679 -3.088 -16.577 299 HA LYS 46 HA LYS 46 -9.197 -2.930 -19.377 300 HB2 LYS 46 HB2 LYS 46 -7.727 -1.864 -16.969 301 HB3 LYS 46 HB1 LYS 46 -7.179 -1.573 -18.619 302 HG2 LYS 46 HG2 LYS 46 -9.339 -0.524 -19.174 303 HG3 LYS 46 HG1 LYS 46 -9.927 -0.845 -17.541 304 HD2 LYS 46 HD2 LYS 46 -8.079 0.543 -16.630 305 HD3 LYS 46 HD1 LYS 46 -7.576 0.915 -18.280 306 HE2 LYS 46 HE2 LYS 46 -10.343 1.490 -17.192 307 HE3 LYS 46 HE1 LYS 46 -9.044 2.680 -17.255 308 HZ1 LYS 46 HZ1 LYS 46 -10.287 1.266 -19.549 309 HZ2 LYS 46 HZ2 LYS 46 -8.903 2.245 -19.674 310 HZ3 LYS 46 HZ3 LYS 46 -10.384 2.922 -19.195 311 H ALA 47 HN ALA 47 -7.542 -4.524 -16.697 312 HA ALA 47 HA ALA 47 -5.225 -5.333 -18.004 313 HB1 ALA 47 HB1 ALA 47 -6.729 -6.965 -15.957 314 HB2 ALA 47 HB2 ALA 47 -5.712 -5.584 -15.550 315 HB3 ALA 47 HB3 ALA 47 -5.001 -7.012 -16.300 316 H ALA 48 HN ALA 48 -8.485 -6.429 -18.368 317 HA ALA 48 HA ALA 48 -7.963 -9.021 -19.426 318 HB1 ALA 48 HB1 ALA 48 -10.315 -7.259 -20.119 319 HB2 ALA 48 HB2 ALA 48 -10.186 -8.118 -18.582 320 HB3 ALA 48 HB3 ALA 48 -10.248 -9.022 -20.095 321 H ARG 49 HN ARG 49 -8.358 -5.824 -20.899 322 HA ARG 49 HA ARG 49 -8.077 -6.808 -23.587 323 HB2 ARG 49 HB2 ARG 49 -9.278 -4.682 -22.891 324 HB3 ARG 49 HB1 ARG 49 -7.682 -3.964 -22.669 325 HG2 ARG 49 HG2 ARG 49 -8.052 -3.376 -24.896 326 HG3 ARG 49 HG1 ARG 49 -7.277 -4.943 -25.135 327 HD2 ARG 49 HD2 ARG 49 -9.288 -4.840 -26.503 328 HD3 ARG 49 HD1 ARG 49 -9.548 -5.996 -25.200 329 HE ARG 49 HE ARG 49 -10.446 -3.462 -24.348 330 HH11 ARG 49 HH21 ARG 49 -11.161 -5.964 -26.624 331 HH12 ARG 49 HH22 ARG 49 -12.861 -5.636 -26.663 332 HH21 ARG 49 HH11 ARG 49 -12.675 -3.026 -24.385 333 HH22 ARG 49 HH12 ARG 49 -13.718 -3.971 -25.394 334 H GLU 50 HN GLU 50 -5.944 -5.290 -21.216 335 HA GLU 50 HA GLU 50 -3.717 -4.944 -22.935 336 HB2 GLU 50 HB2 GLU 50 -3.930 -5.179 -19.932 337 HB3 GLU 50 HB1 GLU 50 -2.430 -4.800 -20.774 338 HG2 GLU 50 HG2 GLU 50 -3.448 -2.802 -21.761 339 HG3 GLU 50 HG1 GLU 50 -4.995 -3.192 -21.016 340 H VAL 51 HN VAL 51 -4.625 -7.547 -20.684 341 HA VAL 51 HA VAL 51 -2.243 -9.071 -21.173 342 HB VAL 51 HB VAL 51 -3.692 -9.222 -19.110 343 HG11 VAL 51 HG11 VAL 51 -5.782 -10.277 -19.142 344 HG12 VAL 51 HG12 VAL 51 -5.473 -11.065 -20.689 345 HG13 VAL 51 HG13 VAL 51 -5.820 -9.344 -20.635 346 HG21 VAL 51 HG21 VAL 51 -3.562 -11.761 -19.022 347 HG22 VAL 51 HG22 VAL 51 -2.061 -10.943 -19.452 348 HG23 VAL 51 HG23 VAL 51 -3.038 -11.712 -20.706 349 H GLY 52 HN GLY 52 -5.388 -8.823 -22.657 350 HA2 GLY 52 HA2 GLY 52 -5.928 -9.505 -24.852 351 HA3 GLY 52 HA1 GLY 52 -4.511 -10.549 -24.855 352 H TYR 53 HN TYR 53 -5.164 -11.766 -22.294 353 HA TYR 53 HA TYR 53 -6.438 -14.077 -23.039 354 HB2 TYR 53 HB2 TYR 53 -5.236 -13.600 -20.820 355 HB3 TYR 53 HB1 TYR 53 -6.769 -12.923 -20.267 356 HD1 TYR 53 HD1 TYR 53 -5.096 -15.987 -21.483 357 HD2 TYR 53 HD2 TYR 53 -8.649 -14.319 -19.743 358 HE1 TYR 53 HE1 TYR 53 -5.922 -18.269 -20.989 359 HE2 TYR 53 HE2 TYR 53 -9.478 -16.603 -19.247 360 HH TYR 53 HH TYR 53 -8.835 -19.102 -20.498 361 H LEU 54 HN LEU 54 -8.548 -14.888 -22.868 362 HA LEU 54 HA LEU 54 -10.668 -12.877 -22.439 363 HB2 LEU 54 HB2 LEU 54 -10.353 -14.738 -24.790 364 HB3 LEU 54 HB1 LEU 54 -11.884 -13.958 -24.382 365 HG LEU 54 HG LEU 54 -9.438 -12.210 -24.563 366 HD11 LEU 54 HD11 LEU 54 -9.226 -13.563 -26.574 367 HD12 LEU 54 HD12 LEU 54 -9.800 -11.954 -27.014 368 HD13 LEU 54 HD13 LEU 54 -10.926 -13.311 -26.963 369 HD21 LEU 54 HD21 LEU 54 -11.093 -10.592 -25.417 370 HD22 LEU 54 HD22 LEU 54 -11.667 -11.295 -23.907 371 HD23 LEU 54 HD23 LEU 54 -12.331 -11.849 -25.443 372 HA PRO 55 HA PRO 55 -12.755 -15.687 -19.765 373 HB2 PRO 55 HB2 PRO 55 -15.052 -15.434 -21.687 374 HB3 PRO 55 HB1 PRO 55 -15.045 -15.293 -19.918 375 HG2 PRO 55 HG2 PRO 55 -15.115 -13.136 -21.566 376 HG3 PRO 55 HG1 PRO 55 -14.361 -13.101 -19.962 377 HD2 PRO 55 HD2 PRO 55 -13.066 -12.989 -22.607 378 HD3 PRO 55 HD1 PRO 55 -12.395 -12.604 -21.009 Start of MODEL 7 1 H1 ALA 9 HT1 ALA 9 3.603 -14.666 -23.775 2 H2 ALA 9 HT2 ALA 9 3.154 -15.074 -25.362 3 H3 ALA 9 HT3 ALA 9 3.273 -16.280 -24.174 4 HA ALA 9 HA ALA 9 1.240 -14.143 -24.409 5 HB1 ALA 9 HB1 ALA 9 1.093 -17.167 -24.214 6 HB2 ALA 9 HB2 ALA 9 0.831 -16.212 -25.672 7 HB3 ALA 9 HB3 ALA 9 -0.297 -16.087 -24.321 8 H ALA 10 HN ALA 10 0.526 -13.281 -22.563 9 HA ALA 10 HA ALA 10 1.459 -14.325 -20.011 10 HB1 ALA 10 HB1 ALA 10 1.556 -11.956 -20.215 11 HB2 ALA 10 HB2 ALA 10 0.211 -12.298 -19.127 12 HB3 ALA 10 HB3 ALA 10 -0.102 -11.871 -20.809 13 H THR 11 HN THR 11 -0.302 -14.137 -18.183 14 HA THR 11 HA THR 11 -2.866 -15.280 -19.071 15 HB THR 11 HB THR 11 -2.670 -17.029 -17.299 16 HG1 THR 11 HG1 THR 11 -0.763 -17.317 -16.277 17 HG21 THR 11 HG21 THR 11 -1.167 -18.488 -18.563 18 HG22 THR 11 HG22 THR 11 -0.447 -17.086 -19.356 19 HG23 THR 11 HG23 THR 11 -2.129 -17.514 -19.675 20 H MET 12 HN MET 12 -4.577 -14.951 -17.648 21 HA MET 12 HA MET 12 -4.624 -12.594 -16.188 22 HB2 MET 12 HB2 MET 12 -6.340 -15.046 -15.714 23 HB3 MET 12 HB1 MET 12 -6.734 -13.390 -15.249 24 HG2 MET 12 HG2 MET 12 -6.647 -12.724 -17.643 25 HG3 MET 12 HG1 MET 12 -6.341 -14.401 -18.081 26 HE1 MET 12 HE1 MET 12 -7.631 -16.254 -17.658 27 HE2 MET 12 HE2 MET 12 -9.383 -16.338 -17.517 28 HE3 MET 12 HE3 MET 12 -8.399 -16.117 -16.073 29 H LYS 13 HN LYS 13 -3.768 -15.850 -15.159 30 HA LYS 13 HA LYS 13 -3.789 -15.399 -12.368 31 HB2 LYS 13 HB2 LYS 13 -3.713 -17.639 -13.445 32 HB3 LYS 13 HB1 LYS 13 -2.049 -17.323 -13.930 33 HG2 LYS 13 HG2 LYS 13 -1.432 -16.994 -11.544 34 HG3 LYS 13 HG1 LYS 13 -3.085 -17.379 -11.084 35 HD2 LYS 13 HD2 LYS 13 -1.414 -19.267 -12.754 36 HD3 LYS 13 HD1 LYS 13 -1.366 -19.301 -10.991 37 HE2 LYS 13 HE2 LYS 13 -3.921 -19.503 -11.070 38 HE3 LYS 13 HE1 LYS 13 -3.740 -19.821 -12.791 39 HZ1 LYS 13 HZ1 LYS 13 -3.125 -21.498 -10.535 40 HZ2 LYS 13 HZ2 LYS 13 -1.919 -21.469 -11.733 41 HZ3 LYS 13 HZ3 LYS 13 -3.507 -21.920 -12.131 42 H ASP 14 HN ASP 14 -1.204 -15.131 -14.805 43 HA ASP 14 HA ASP 14 0.868 -14.482 -13.031 44 HB2 ASP 14 HB2 ASP 14 0.374 -14.045 -15.965 45 HB3 ASP 14 HB1 ASP 14 1.760 -13.268 -15.206 46 H VAL 15 HN VAL 15 -1.599 -12.480 -14.594 47 HA VAL 15 HA VAL 15 -0.515 -9.973 -14.022 48 HB VAL 15 HB VAL 15 -3.371 -10.917 -14.318 49 HG11 VAL 15 HG11 VAL 15 -2.237 -8.135 -13.953 50 HG12 VAL 15 HG12 VAL 15 -3.517 -8.911 -13.018 51 HG13 VAL 15 HG13 VAL 15 -3.809 -8.435 -14.683 52 HG21 VAL 15 HG21 VAL 15 -1.719 -9.203 -16.184 53 HG22 VAL 15 HG22 VAL 15 -3.185 -10.117 -16.545 54 HG23 VAL 15 HG23 VAL 15 -1.666 -10.963 -16.261 55 H ALA 16 HN ALA 16 -2.641 -12.078 -12.117 56 HA ALA 16 HA ALA 16 -3.260 -10.397 -10.004 57 HB1 ALA 16 HB1 ALA 16 -2.650 -13.364 -9.965 58 HB2 ALA 16 HB2 ALA 16 -4.232 -12.611 -10.164 59 HB3 ALA 16 HB3 ALA 16 -3.384 -12.484 -8.625 60 H LEU 17 HN LEU 17 -0.323 -12.290 -10.547 61 HA LEU 17 HA LEU 17 0.906 -11.776 -8.067 62 HB2 LEU 17 HB2 LEU 17 1.757 -13.509 -9.548 63 HB3 LEU 17 HB1 LEU 17 2.148 -12.307 -10.779 64 HG LEU 17 HG LEU 17 3.779 -11.255 -9.267 65 HD11 LEU 17 HD11 LEU 17 2.630 -13.270 -7.341 66 HD12 LEU 17 HD12 LEU 17 2.985 -11.559 -7.084 67 HD13 LEU 17 HD13 LEU 17 4.295 -12.728 -7.142 68 HD21 LEU 17 HD21 LEU 17 4.542 -13.099 -10.710 69 HD22 LEU 17 HD22 LEU 17 4.107 -14.264 -9.456 70 HD23 LEU 17 HD23 LEU 17 5.408 -13.108 -9.171 71 H LYS 18 HN LYS 18 0.989 -10.024 -11.145 72 HA LYS 18 HA LYS 18 2.858 -8.045 -10.292 73 HB2 LYS 18 HB2 LYS 18 0.836 -8.078 -12.541 74 HB3 LYS 18 HB1 LYS 18 2.016 -6.788 -12.297 75 HG2 LYS 18 HG2 LYS 18 3.853 -8.431 -12.463 76 HG3 LYS 18 HG1 LYS 18 2.676 -9.722 -12.710 77 HD2 LYS 18 HD2 LYS 18 1.879 -8.626 -14.761 78 HD3 LYS 18 HD1 LYS 18 3.022 -7.304 -14.510 79 HE2 LYS 18 HE2 LYS 18 3.940 -8.912 -16.121 80 HE3 LYS 18 HE1 LYS 18 4.897 -8.928 -14.640 81 HZ1 LYS 18 HZ1 LYS 18 2.762 -10.751 -14.407 82 HZ2 LYS 18 HZ2 LYS 18 4.433 -11.058 -14.365 83 HZ3 LYS 18 HZ3 LYS 18 3.602 -11.067 -15.848 84 H ALA 19 HN ALA 19 -0.667 -8.218 -10.390 85 HA ALA 19 HA ALA 19 -0.927 -5.530 -9.257 86 HB1 ALA 19 HB1 ALA 19 -3.251 -5.735 -9.656 87 HB2 ALA 19 HB2 ALA 19 -3.159 -7.497 -9.751 88 HB3 ALA 19 HB3 ALA 19 -2.482 -6.507 -11.041 89 H LYS 20 HN LYS 20 -0.170 -8.448 -8.035 90 HA LYS 20 HA LYS 20 -0.538 -9.563 -6.031 91 HB2 LYS 20 HB2 LYS 20 0.901 -7.422 -5.603 92 HB3 LYS 20 HB1 LYS 20 -0.545 -6.801 -4.806 93 HG2 LYS 20 HG2 LYS 20 -0.580 -8.734 -3.292 94 HG3 LYS 20 HG1 LYS 20 0.803 -9.444 -4.124 95 HD2 LYS 20 HD2 LYS 20 2.198 -7.535 -3.488 96 HD3 LYS 20 HD1 LYS 20 0.818 -6.778 -2.690 97 HE2 LYS 20 HE2 LYS 20 2.189 -7.924 -1.020 98 HE3 LYS 20 HE1 LYS 20 0.644 -8.758 -1.184 99 HZ1 LYS 20 HZ1 LYS 20 1.727 -10.591 -1.730 100 HZ2 LYS 20 HZ2 LYS 20 3.216 -9.789 -1.562 101 HZ3 LYS 20 HZ3 LYS 20 2.426 -9.814 -3.066 102 H VAL 21 HN VAL 21 -2.982 -8.764 -7.427 103 HA VAL 21 HA VAL 21 -4.882 -7.763 -5.552 104 HB VAL 21 HB VAL 21 -5.140 -9.257 -8.159 105 HG11 VAL 21 HG11 VAL 21 -7.622 -8.489 -7.894 106 HG12 VAL 21 HG12 VAL 21 -7.253 -8.436 -6.169 107 HG13 VAL 21 HG13 VAL 21 -7.095 -9.943 -7.064 108 HG21 VAL 21 HG21 VAL 21 -5.735 -7.148 -9.052 109 HG22 VAL 21 HG22 VAL 21 -4.420 -6.771 -7.941 110 HG23 VAL 21 HG23 VAL 21 -6.082 -6.474 -7.459 111 H SER 22 HN SER 22 -5.026 -10.970 -7.044 112 HA SER 22 HA SER 22 -4.741 -12.541 -4.765 113 HB2 SER 22 HB2 SER 22 -7.559 -12.856 -4.920 114 HB3 SER 22 HB1 SER 22 -6.646 -12.170 -3.582 115 HG SER 22 HG SER 22 -7.501 -10.343 -4.105 116 H THR 23 HN THR 23 -4.360 -14.504 -5.545 117 HA THR 23 HA THR 23 -4.797 -15.213 -8.230 118 HB THR 23 HB THR 23 -4.251 -16.965 -5.819 119 HG1 THR 23 HG1 THR 23 -2.716 -15.283 -6.484 120 HG21 THR 23 HG21 THR 23 -3.332 -18.499 -7.661 121 HG22 THR 23 HG22 THR 23 -4.263 -17.513 -8.790 122 HG23 THR 23 HG23 THR 23 -5.087 -18.407 -7.512 123 H ALA 24 HN ALA 24 -6.776 -15.576 -5.368 124 HA ALA 24 HA ALA 24 -8.551 -17.528 -6.523 125 HB1 ALA 24 HB1 ALA 24 -9.131 -15.748 -4.159 126 HB2 ALA 24 HB2 ALA 24 -8.096 -17.169 -4.033 127 HB3 ALA 24 HB3 ALA 24 -9.785 -17.348 -4.506 128 H THR 25 HN THR 25 -8.706 -14.060 -5.830 129 HA THR 25 HA THR 25 -11.315 -13.571 -6.761 130 HB THR 25 HB THR 25 -10.503 -11.224 -7.139 131 HG1 THR 25 HG1 THR 25 -8.151 -12.561 -7.087 132 HG21 THR 25 HG21 THR 25 -9.893 -12.697 -4.574 133 HG22 THR 25 HG22 THR 25 -11.310 -11.722 -4.961 134 HG23 THR 25 HG23 THR 25 -9.748 -10.944 -4.703 135 H VAL 26 HN VAL 26 -8.304 -12.823 -8.539 136 HA VAL 26 HA VAL 26 -9.432 -12.344 -11.012 137 HB VAL 26 HB VAL 26 -6.746 -13.501 -10.244 138 HG11 VAL 26 HG11 VAL 26 -7.884 -12.888 -12.978 139 HG12 VAL 26 HG12 VAL 26 -7.027 -14.334 -12.445 140 HG13 VAL 26 HG13 VAL 26 -6.149 -12.823 -12.669 141 HG21 VAL 26 HG21 VAL 26 -7.646 -10.803 -11.308 142 HG22 VAL 26 HG22 VAL 26 -5.985 -11.240 -10.912 143 HG23 VAL 26 HG23 VAL 26 -7.197 -11.147 -9.638 144 H SER 27 HN SER 27 -8.625 -15.420 -9.500 145 HA SER 27 HA SER 27 -8.990 -17.051 -11.792 146 HB2 SER 27 HB2 SER 27 -9.037 -17.590 -8.832 147 HB3 SER 27 HB1 SER 27 -9.384 -18.864 -9.999 148 HG SER 27 HG SER 27 -7.300 -17.898 -10.987 149 H ARG 28 HN ARG 28 -11.181 -15.865 -9.288 150 HA ARG 28 HA ARG 28 -13.415 -17.409 -10.306 151 HB2 ARG 28 HB2 ARG 28 -13.177 -15.336 -8.123 152 HB3 ARG 28 HB1 ARG 28 -14.687 -16.135 -8.557 153 HG2 ARG 28 HG2 ARG 28 -13.707 -18.323 -8.062 154 HG3 ARG 28 HG1 ARG 28 -12.156 -17.567 -7.704 155 HD2 ARG 28 HD2 ARG 28 -13.370 -18.030 -5.620 156 HD3 ARG 28 HD1 ARG 28 -13.203 -16.295 -5.860 157 HE ARG 28 HE ARG 28 -15.518 -16.150 -6.219 158 HH11 ARG 28 HH21 ARG 28 -14.417 -19.426 -6.042 159 HH12 ARG 28 HH22 ARG 28 -16.005 -20.099 -5.916 160 HH21 ARG 28 HH11 ARG 28 -17.606 -17.026 -6.054 161 HH22 ARG 28 HH12 ARG 28 -17.812 -18.740 -5.922 162 H ALA 29 HN ALA 29 -11.939 -14.409 -10.938 163 HA ALA 29 HA ALA 29 -13.978 -12.678 -11.556 164 HB1 ALA 29 HB1 ALA 29 -11.637 -12.039 -11.764 165 HB2 ALA 29 HB2 ALA 29 -12.468 -11.732 -13.289 166 HB3 ALA 29 HB3 ALA 29 -11.432 -13.145 -13.123 167 H LEU 30 HN LEU 30 -13.045 -15.590 -13.237 168 HA LEU 30 HA LEU 30 -14.745 -14.970 -15.527 169 HB2 LEU 30 HB2 LEU 30 -12.811 -17.183 -14.852 170 HB3 LEU 30 HB1 LEU 30 -13.938 -17.362 -16.187 171 HG LEU 30 HG LEU 30 -11.678 -16.424 -16.845 172 HD11 LEU 30 HD11 LEU 30 -13.656 -14.247 -17.409 173 HD12 LEU 30 HD12 LEU 30 -14.107 -15.874 -17.904 174 HD13 LEU 30 HD13 LEU 30 -12.632 -15.148 -18.509 175 HD21 LEU 30 HD21 LEU 30 -11.053 -14.220 -16.174 176 HD22 LEU 30 HD22 LEU 30 -11.548 -15.024 -14.691 177 HD23 LEU 30 HD23 LEU 30 -12.643 -13.896 -15.492 178 H MET 31 HN MET 31 -15.162 -16.195 -12.499 179 HA MET 31 HA MET 31 -17.534 -17.758 -13.348 180 HB2 MET 31 HB2 MET 31 -15.698 -18.232 -10.990 181 HB3 MET 31 HB1 MET 31 -17.225 -19.074 -11.261 182 HG2 MET 31 HG2 MET 31 -14.953 -19.032 -13.266 183 HG3 MET 31 HG1 MET 31 -15.199 -20.321 -12.090 184 HE1 MET 31 HE1 MET 31 -16.578 -22.392 -12.621 185 HE2 MET 31 HE2 MET 31 -15.268 -22.069 -13.756 186 HE3 MET 31 HE3 MET 31 -16.820 -22.649 -14.355 187 H ASN 32 HN ASN 32 -16.178 -16.049 -10.522 188 HA ASN 32 HA ASN 32 -18.847 -14.838 -10.082 189 HB2 ASN 32 HB2 ASN 32 -17.012 -15.716 -7.866 190 HB3 ASN 32 HB1 ASN 32 -18.681 -15.162 -7.744 191 HD21 ASN 32 HD21 ASN 32 -20.285 -16.761 -7.825 192 HD22 ASN 32 HD22 ASN 32 -20.012 -18.367 -8.301 193 HA PRO 33 HA PRO 33 -15.550 -11.599 -10.178 194 HB2 PRO 33 HB2 PRO 33 -16.687 -9.998 -12.074 195 HB3 PRO 33 HB1 PRO 33 -15.683 -11.393 -12.481 196 HG2 PRO 33 HG2 PRO 33 -18.642 -11.115 -12.536 197 HG3 PRO 33 HG1 PRO 33 -17.574 -12.026 -13.614 198 HD2 PRO 33 HD2 PRO 33 -19.071 -13.134 -11.535 199 HD3 PRO 33 HD1 PRO 33 -17.662 -13.912 -12.291 200 H ASP 34 HN ASP 34 -17.217 -11.737 -8.076 201 HA ASP 34 HA ASP 34 -18.333 -8.994 -7.887 202 HB2 ASP 34 HB2 ASP 34 -20.137 -10.732 -8.116 203 HB3 ASP 34 HB1 ASP 34 -19.562 -11.442 -6.608 204 H LYS 35 HN LYS 35 -15.951 -10.941 -6.894 205 HA LYS 35 HA LYS 35 -16.070 -10.190 -4.045 206 HB2 LYS 35 HB2 LYS 35 -14.053 -11.954 -5.455 207 HB3 LYS 35 HB1 LYS 35 -14.318 -11.802 -3.719 208 HG2 LYS 35 HG2 LYS 35 -16.462 -12.764 -5.624 209 HG3 LYS 35 HG1 LYS 35 -15.367 -13.856 -4.786 210 HD2 LYS 35 HD2 LYS 35 -16.120 -12.830 -2.614 211 HD3 LYS 35 HD1 LYS 35 -17.332 -11.927 -3.518 212 HE2 LYS 35 HE2 LYS 35 -18.320 -14.004 -4.348 213 HE3 LYS 35 HE1 LYS 35 -17.099 -14.937 -3.481 214 HZ1 LYS 35 HZ1 LYS 35 -17.911 -13.793 -1.420 215 HZ2 LYS 35 HZ2 LYS 35 -19.002 -14.892 -2.119 216 HZ3 LYS 35 HZ3 LYS 35 -19.221 -13.219 -2.331 217 H VAL 36 HN VAL 36 -14.749 -9.150 -6.975 218 HA VAL 36 HA VAL 36 -12.318 -8.028 -5.884 219 HB VAL 36 HB VAL 36 -12.317 -6.834 -8.171 220 HG11 VAL 36 HG11 VAL 36 -12.352 -9.856 -7.927 221 HG12 VAL 36 HG12 VAL 36 -10.952 -8.794 -7.776 222 HG13 VAL 36 HG13 VAL 36 -11.743 -8.989 -9.339 223 HG21 VAL 36 HG21 VAL 36 -14.483 -8.873 -8.742 224 HG22 VAL 36 HG22 VAL 36 -13.863 -7.626 -9.823 225 HG23 VAL 36 HG23 VAL 36 -14.836 -7.176 -8.424 226 H SER 37 HN SER 37 -12.018 -6.018 -5.104 227 HA SER 37 HA SER 37 -14.206 -4.437 -4.289 228 HB2 SER 37 HB2 SER 37 -12.097 -4.359 -3.085 229 HB3 SER 37 HB1 SER 37 -11.267 -3.752 -4.517 230 HG SER 37 HG SER 37 -12.513 -2.371 -2.650 231 H GLN 38 HN GLN 38 -14.786 -2.305 -4.953 232 HA GLN 38 HA GLN 38 -15.341 -1.951 -7.615 233 HB2 GLN 38 HB2 GLN 38 -16.308 -0.578 -5.785 234 HB3 GLN 38 HB1 GLN 38 -14.767 0.269 -5.633 235 HG2 GLN 38 HG2 GLN 38 -14.943 1.101 -7.911 236 HG3 GLN 38 HG1 GLN 38 -16.406 0.154 -8.181 237 HE21 GLN 38 HE21 GLN 38 -18.060 1.696 -8.307 238 HE22 GLN 38 HE22 GLN 38 -18.327 2.910 -7.150 239 H ALA 39 HN ALA 39 -12.547 -0.619 -5.852 240 HA ALA 39 HA ALA 39 -11.365 0.646 -8.103 241 HB1 ALA 39 HB1 ALA 39 -10.758 1.158 -5.748 242 HB2 ALA 39 HB2 ALA 39 -9.342 0.758 -6.723 243 HB3 ALA 39 HB3 ALA 39 -10.013 -0.435 -5.611 244 H THR 40 HN THR 40 -10.571 -2.454 -6.502 245 HA THR 40 HA THR 40 -8.665 -3.282 -8.403 246 HB THR 40 HB THR 40 -10.419 -4.919 -6.553 247 HG1 THR 40 HG1 THR 40 -8.124 -4.979 -5.605 248 HG21 THR 40 HG21 THR 40 -8.488 -6.581 -6.879 249 HG22 THR 40 HG22 THR 40 -8.074 -5.639 -8.311 250 HG23 THR 40 HG23 THR 40 -9.645 -6.433 -8.203 251 H ARG 41 HN ARG 41 -12.110 -3.242 -8.464 252 HA ARG 41 HA ARG 41 -12.532 -5.319 -10.362 253 HB2 ARG 41 HB2 ARG 41 -14.325 -4.441 -8.889 254 HB3 ARG 41 HB1 ARG 41 -14.269 -2.915 -9.768 255 HG2 ARG 41 HG2 ARG 41 -14.878 -4.046 -11.847 256 HG3 ARG 41 HG1 ARG 41 -14.862 -5.605 -11.022 257 HD2 ARG 41 HD2 ARG 41 -16.657 -3.293 -10.239 258 HD3 ARG 41 HD1 ARG 41 -17.160 -4.619 -11.284 259 HE ARG 41 HE ARG 41 -16.099 -5.700 -8.904 260 HH11 ARG 41 HH21 ARG 41 -18.771 -3.839 -10.073 261 HH12 ARG 41 HH22 ARG 41 -19.870 -4.394 -8.854 262 HH21 ARG 41 HH11 ARG 41 -17.533 -6.433 -7.302 263 HH22 ARG 41 HH12 ARG 41 -19.169 -5.863 -7.286 264 H ASN 42 HN ASN 42 -12.085 -1.813 -10.615 265 HA ASN 42 HA ASN 42 -12.518 -1.682 -13.424 266 HB2 ASN 42 HB2 ASN 42 -11.152 0.174 -11.476 267 HB3 ASN 42 HB1 ASN 42 -11.341 0.549 -13.188 268 HD21 ASN 42 HD21 ASN 42 -12.603 2.152 -11.184 269 HD22 ASN 42 HD22 ASN 42 -14.282 1.935 -11.304 270 H ARG 43 HN ARG 43 -9.637 -2.029 -11.405 271 HA ARG 43 HA ARG 43 -7.714 -1.769 -13.443 272 HB2 ARG 43 HB2 ARG 43 -7.667 -3.193 -10.783 273 HB3 ARG 43 HB1 ARG 43 -6.257 -3.084 -11.834 274 HG2 ARG 43 HG2 ARG 43 -7.751 -0.554 -11.185 275 HG3 ARG 43 HG1 ARG 43 -6.702 -1.246 -9.950 276 HD2 ARG 43 HD2 ARG 43 -5.827 -0.637 -12.789 277 HD3 ARG 43 HD1 ARG 43 -5.530 0.410 -11.410 278 HE ARG 43 HE ARG 43 -4.560 -2.150 -10.774 279 HH11 ARG 43 HH21 ARG 43 -3.994 0.448 -12.990 280 HH12 ARG 43 HH22 ARG 43 -2.300 0.126 -13.152 281 HH21 ARG 43 HH11 ARG 43 -2.338 -2.579 -10.981 282 HH22 ARG 43 HH12 ARG 43 -1.363 -1.588 -12.014 283 H VAL 44 HN VAL 44 -9.348 -4.614 -12.097 284 HA VAL 44 HA VAL 44 -7.979 -6.544 -13.617 285 HB VAL 44 HB VAL 44 -10.725 -6.531 -12.362 286 HG11 VAL 44 HG11 VAL 44 -10.451 -9.096 -12.695 287 HG12 VAL 44 HG12 VAL 44 -9.297 -8.661 -13.956 288 HG13 VAL 44 HG13 VAL 44 -10.975 -8.131 -14.075 289 HG21 VAL 44 HG21 VAL 44 -8.609 -6.493 -10.944 290 HG22 VAL 44 HG22 VAL 44 -8.217 -8.066 -11.632 291 HG23 VAL 44 HG23 VAL 44 -9.675 -7.870 -10.661 292 H GLU 45 HN GLU 45 -11.084 -4.903 -14.200 293 HA GLU 45 HA GLU 45 -11.825 -6.130 -16.565 294 HB2 GLU 45 HB2 GLU 45 -13.235 -4.490 -15.367 295 HB3 GLU 45 HB1 GLU 45 -12.142 -3.196 -15.862 296 HG2 GLU 45 HG2 GLU 45 -12.630 -3.648 -18.219 297 HG3 GLU 45 HG1 GLU 45 -13.659 -5.004 -17.765 298 H LYS 46 HN LYS 46 -9.736 -3.258 -16.167 299 HA LYS 46 HA LYS 46 -9.204 -3.015 -18.958 300 HB2 LYS 46 HB2 LYS 46 -7.886 -1.853 -16.501 301 HB3 LYS 46 HB1 LYS 46 -7.364 -1.472 -18.141 302 HG2 LYS 46 HG2 LYS 46 -10.288 -1.203 -17.449 303 HG3 LYS 46 HG1 LYS 46 -9.171 0.056 -16.925 304 HD2 LYS 46 HD2 LYS 46 -8.385 0.325 -19.256 305 HD3 LYS 46 HD1 LYS 46 -9.521 -0.913 -19.781 306 HE2 LYS 46 HE2 LYS 46 -10.505 1.270 -20.174 307 HE3 LYS 46 HE1 LYS 46 -11.389 0.469 -18.876 308 HZ1 LYS 46 HZ1 LYS 46 -10.556 2.921 -18.625 309 HZ2 LYS 46 HZ2 LYS 46 -9.103 2.163 -18.174 310 HZ3 LYS 46 HZ3 LYS 46 -10.531 1.856 -17.306 311 H ALA 47 HN ALA 47 -7.558 -4.530 -16.249 312 HA ALA 47 HA ALA 47 -5.120 -5.099 -17.504 313 HB1 ALA 47 HB1 ALA 47 -5.681 -5.329 -15.035 314 HB2 ALA 47 HB2 ALA 47 -4.708 -6.613 -15.733 315 HB3 ALA 47 HB3 ALA 47 -6.429 -6.870 -15.448 316 H ALA 48 HN ALA 48 -8.252 -6.445 -17.930 317 HA ALA 48 HA ALA 48 -7.511 -9.034 -18.852 318 HB1 ALA 48 HB1 ALA 48 -9.817 -8.311 -18.111 319 HB2 ALA 48 HB2 ALA 48 -9.770 -9.219 -19.623 320 HB3 ALA 48 HB3 ALA 48 -9.967 -7.466 -19.652 321 H ARG 49 HN ARG 49 -8.226 -5.985 -20.527 322 HA ARG 49 HA ARG 49 -7.667 -7.077 -23.132 323 HB2 ARG 49 HB2 ARG 49 -8.078 -4.261 -22.120 324 HB3 ARG 49 HB1 ARG 49 -7.736 -4.631 -23.810 325 HG2 ARG 49 HG2 ARG 49 -9.726 -6.054 -23.939 326 HG3 ARG 49 HG1 ARG 49 -10.051 -5.790 -22.225 327 HD2 ARG 49 HD2 ARG 49 -11.456 -4.314 -23.581 328 HD3 ARG 49 HD1 ARG 49 -10.298 -3.366 -22.654 329 HE ARG 49 HE ARG 49 -9.212 -2.794 -24.651 330 HH11 ARG 49 HH21 ARG 49 -11.621 -5.233 -25.121 331 HH12 ARG 49 HH22 ARG 49 -11.596 -5.121 -26.848 332 HH21 ARG 49 HH11 ARG 49 -9.174 -2.642 -26.917 333 HH22 ARG 49 HH12 ARG 49 -10.211 -3.652 -27.866 334 H GLU 50 HN GLU 50 -5.879 -5.239 -20.716 335 HA GLU 50 HA GLU 50 -3.682 -4.531 -22.323 336 HB2 GLU 50 HB2 GLU 50 -4.196 -3.531 -20.098 337 HB3 GLU 50 HB1 GLU 50 -3.706 -5.048 -19.343 338 HG2 GLU 50 HG2 GLU 50 -1.462 -4.834 -20.277 339 HG3 GLU 50 HG1 GLU 50 -1.933 -3.367 -21.129 340 H VAL 51 HN VAL 51 -4.234 -7.318 -20.184 341 HA VAL 51 HA VAL 51 -1.679 -8.491 -20.700 342 HB VAL 51 HB VAL 51 -3.087 -8.907 -18.655 343 HG11 VAL 51 HG11 VAL 51 -4.589 -10.796 -20.461 344 HG12 VAL 51 HG12 VAL 51 -5.194 -9.208 -20.044 345 HG13 VAL 51 HG13 VAL 51 -4.950 -10.406 -18.783 346 HG21 VAL 51 HG21 VAL 51 -1.182 -10.372 -19.397 347 HG22 VAL 51 HG22 VAL 51 -2.359 -11.400 -20.219 348 HG23 VAL 51 HG23 VAL 51 -2.409 -11.229 -18.466 349 H GLY 52 HN GLY 52 -4.628 -8.374 -22.419 350 HA2 GLY 52 HA2 GLY 52 -5.182 -9.215 -24.488 351 HA3 GLY 52 HA1 GLY 52 -3.551 -9.870 -24.598 352 H TYR 53 HN TYR 53 -6.251 -10.470 -22.355 353 HA TYR 53 HA TYR 53 -5.822 -13.357 -22.652 354 HB2 TYR 53 HB2 TYR 53 -6.059 -12.498 -20.381 355 HB3 TYR 53 HB1 TYR 53 -7.616 -11.781 -20.792 356 HD1 TYR 53 HD1 TYR 53 -5.874 -15.099 -21.148 357 HD2 TYR 53 HD2 TYR 53 -9.490 -13.008 -20.138 358 HE1 TYR 53 HE1 TYR 53 -6.977 -17.253 -20.630 359 HE2 TYR 53 HE2 TYR 53 -10.584 -15.163 -19.614 360 HH TYR 53 HH TYR 53 -8.839 -18.097 -19.324 361 H LEU 54 HN LEU 54 -6.948 -14.481 -24.088 362 HA LEU 54 HA LEU 54 -9.611 -13.498 -24.898 363 HB2 LEU 54 HB2 LEU 54 -7.606 -14.971 -26.567 364 HB3 LEU 54 HB1 LEU 54 -9.219 -14.496 -27.084 365 HG LEU 54 HG LEU 54 -7.398 -12.381 -25.944 366 HD11 LEU 54 HD11 LEU 54 -7.271 -13.416 -28.791 367 HD12 LEU 54 HD12 LEU 54 -5.999 -13.579 -27.580 368 HD13 LEU 54 HD13 LEU 54 -6.446 -11.981 -28.178 369 HD21 LEU 54 HD21 LEU 54 -9.521 -12.447 -28.118 370 HD22 LEU 54 HD22 LEU 54 -8.636 -11.008 -27.621 371 HD23 LEU 54 HD23 LEU 54 -9.719 -11.803 -26.491 372 HA PRO 55 HA PRO 55 -10.348 -17.655 -23.175 373 HB2 PRO 55 HB2 PRO 55 -12.761 -17.095 -22.032 374 HB3 PRO 55 HB1 PRO 55 -11.215 -16.697 -21.260 375 HG2 PRO 55 HG2 PRO 55 -13.138 -14.921 -22.666 376 HG3 PRO 55 HG1 PRO 55 -12.066 -14.564 -21.306 377 HD2 PRO 55 HD2 PRO 55 -11.603 -13.882 -23.989 378 HD3 PRO 55 HD1 PRO 55 -10.377 -13.871 -22.695 Start of MODEL 8 1 H1 ALA 9 HT1 ALA 9 4.243 -14.856 -22.768 2 H2 ALA 9 HT2 ALA 9 4.853 -14.205 -24.213 3 H3 ALA 9 HT3 ALA 9 3.562 -15.310 -24.252 4 HA ALA 9 HA ALA 9 3.528 -12.474 -23.867 5 HB1 ALA 9 HB1 ALA 9 1.478 -14.623 -24.465 6 HB2 ALA 9 HB2 ALA 9 2.240 -13.527 -25.616 7 HB3 ALA 9 HB3 ALA 9 1.099 -12.901 -24.426 8 H ALA 10 HN ALA 10 1.326 -11.765 -22.690 9 HA ALA 10 HA ALA 10 1.768 -12.364 -19.891 10 HB1 ALA 10 HB1 ALA 10 1.320 -10.072 -20.467 11 HB2 ALA 10 HB2 ALA 10 -0.064 -10.677 -19.556 12 HB3 ALA 10 HB3 ALA 10 -0.164 -10.519 -21.310 13 H THR 11 HN THR 11 -0.036 -12.919 -18.441 14 HA THR 11 HA THR 11 -2.231 -14.414 -19.691 15 HB THR 11 HB THR 11 -1.798 -16.332 -18.145 16 HG1 THR 11 HG1 THR 11 0.807 -15.373 -17.842 17 HG21 THR 11 HG21 THR 11 -0.081 -17.326 -19.507 18 HG22 THR 11 HG22 THR 11 0.564 -15.744 -19.942 19 HG23 THR 11 HG23 THR 11 -1.012 -16.251 -20.549 20 H MET 12 HN MET 12 -4.052 -14.672 -18.362 21 HA MET 12 HA MET 12 -4.683 -12.591 -16.646 22 HB2 MET 12 HB2 MET 12 -5.805 -15.384 -16.913 23 HB3 MET 12 HB1 MET 12 -6.493 -14.203 -15.801 24 HG2 MET 12 HG2 MET 12 -6.071 -13.652 -18.744 25 HG3 MET 12 HG1 MET 12 -7.586 -14.266 -18.090 26 HE1 MET 12 HE1 MET 12 -9.212 -11.759 -16.161 27 HE2 MET 12 HE2 MET 12 -7.907 -12.387 -15.159 28 HE3 MET 12 HE3 MET 12 -8.731 -13.452 -16.289 29 H LYS 13 HN LYS 13 -3.331 -15.776 -15.892 30 HA LYS 13 HA LYS 13 -3.506 -15.568 -13.076 31 HB2 LYS 13 HB2 LYS 13 -1.748 -17.182 -14.925 32 HB3 LYS 13 HB1 LYS 13 -1.605 -17.291 -13.172 33 HG2 LYS 13 HG2 LYS 13 -4.336 -17.540 -14.408 34 HG3 LYS 13 HG1 LYS 13 -3.242 -18.915 -14.504 35 HD2 LYS 13 HD2 LYS 13 -3.577 -17.537 -11.853 36 HD3 LYS 13 HD1 LYS 13 -4.852 -18.615 -12.412 37 HE2 LYS 13 HE2 LYS 13 -3.330 -20.466 -12.575 38 HE3 LYS 13 HE1 LYS 13 -1.933 -19.420 -12.332 39 HZ1 LYS 13 HZ1 LYS 13 -3.830 -19.150 -10.227 40 HZ2 LYS 13 HZ2 LYS 13 -2.176 -19.530 -10.147 41 HZ3 LYS 13 HZ3 LYS 13 -3.323 -20.759 -10.392 42 H ASP 14 HN ASP 14 -0.894 -14.786 -15.363 43 HA ASP 14 HA ASP 14 1.009 -14.008 -13.463 44 HB2 ASP 14 HB2 ASP 14 1.554 -14.440 -15.827 45 HB3 ASP 14 HB1 ASP 14 0.648 -12.999 -16.288 46 H VAL 15 HN VAL 15 -1.632 -12.255 -14.992 47 HA VAL 15 HA VAL 15 -0.914 -9.653 -14.251 48 HB VAL 15 HB VAL 15 -3.609 -10.942 -14.708 49 HG11 VAL 15 HG11 VAL 15 -4.094 -9.076 -13.310 50 HG12 VAL 15 HG12 VAL 15 -4.347 -8.494 -14.954 51 HG13 VAL 15 HG13 VAL 15 -2.868 -8.076 -14.090 52 HG21 VAL 15 HG21 VAL 15 -1.941 -9.017 -16.360 53 HG22 VAL 15 HG22 VAL 15 -3.479 -9.735 -16.840 54 HG23 VAL 15 HG23 VAL 15 -2.054 -10.752 -16.645 55 H ALA 16 HN ALA 16 -2.816 -12.108 -12.537 56 HA ALA 16 HA ALA 16 -3.618 -10.575 -10.343 57 HB1 ALA 16 HB1 ALA 16 -2.960 -13.519 -10.563 58 HB2 ALA 16 HB2 ALA 16 -4.552 -12.763 -10.651 59 HB3 ALA 16 HB3 ALA 16 -3.671 -12.789 -9.124 60 H LEU 17 HN LEU 17 -0.602 -12.333 -10.932 61 HA LEU 17 HA LEU 17 0.475 -11.859 -8.343 62 HB2 LEU 17 HB2 LEU 17 1.177 -13.564 -10.274 63 HB3 LEU 17 HB1 LEU 17 2.261 -12.254 -10.724 64 HG LEU 17 HG LEU 17 3.434 -13.718 -9.194 65 HD11 LEU 17 HD11 LEU 17 3.541 -11.134 -8.958 66 HD12 LEU 17 HD12 LEU 17 4.178 -12.101 -7.636 67 HD13 LEU 17 HD13 LEU 17 2.586 -11.378 -7.490 68 HD21 LEU 17 HD21 LEU 17 2.507 -14.639 -7.299 69 HD22 LEU 17 HD22 LEU 17 0.991 -14.298 -8.116 70 HD23 LEU 17 HD23 LEU 17 1.604 -13.184 -6.898 71 H LYS 18 HN LYS 18 0.996 -10.312 -11.497 72 HA LYS 18 HA LYS 18 2.856 -8.387 -10.605 73 HB2 LYS 18 HB2 LYS 18 2.455 -8.959 -12.992 74 HB3 LYS 18 HB1 LYS 18 0.891 -8.145 -12.895 75 HG2 LYS 18 HG2 LYS 18 2.006 -6.035 -12.300 76 HG3 LYS 18 HG1 LYS 18 3.575 -6.840 -12.346 77 HD2 LYS 18 HD2 LYS 18 3.222 -7.378 -14.736 78 HD3 LYS 18 HD1 LYS 18 1.667 -6.546 -14.686 79 HE2 LYS 18 HE2 LYS 18 2.778 -4.441 -14.111 80 HE3 LYS 18 HE1 LYS 18 4.342 -5.255 -14.069 81 HZ1 LYS 18 HZ1 LYS 18 2.577 -4.850 -16.418 82 HZ2 LYS 18 HZ2 LYS 18 3.920 -5.891 -16.430 83 HZ3 LYS 18 HZ3 LYS 18 4.136 -4.225 -16.174 84 H ALA 19 HN ALA 19 -0.652 -8.473 -10.609 85 HA ALA 19 HA ALA 19 -0.772 -5.709 -9.596 86 HB1 ALA 19 HB1 ALA 19 -3.253 -6.038 -9.868 87 HB2 ALA 19 HB2 ALA 19 -2.898 -7.611 -10.592 88 HB3 ALA 19 HB3 ALA 19 -2.333 -6.134 -11.366 89 H LYS 20 HN LYS 20 -0.233 -8.626 -8.311 90 HA LYS 20 HA LYS 20 -0.696 -9.671 -6.298 91 HB2 LYS 20 HB2 LYS 20 -0.615 -6.749 -5.507 92 HB3 LYS 20 HB1 LYS 20 -0.546 -8.096 -4.368 93 HG2 LYS 20 HG2 LYS 20 1.523 -8.893 -5.300 94 HG3 LYS 20 HG1 LYS 20 1.398 -7.795 -6.672 95 HD2 LYS 20 HD2 LYS 20 2.974 -6.830 -5.123 96 HD3 LYS 20 HD1 LYS 20 1.496 -5.872 -5.041 97 HE2 LYS 20 HE2 LYS 20 0.836 -6.864 -2.985 98 HE3 LYS 20 HE1 LYS 20 2.003 -8.176 -3.153 99 HZ1 LYS 20 HZ1 LYS 20 3.760 -6.793 -2.645 100 HZ2 LYS 20 HZ2 LYS 20 2.546 -6.230 -1.598 101 HZ3 LYS 20 HZ3 LYS 20 2.908 -5.377 -3.023 102 H VAL 21 HN VAL 21 -3.018 -9.364 -7.831 103 HA VAL 21 HA VAL 21 -5.151 -8.190 -6.343 104 HB VAL 21 HB VAL 21 -5.110 -10.234 -8.567 105 HG11 VAL 21 HG11 VAL 21 -7.405 -8.933 -7.094 106 HG12 VAL 21 HG12 VAL 21 -7.140 -10.638 -7.397 107 HG13 VAL 21 HG13 VAL 21 -7.585 -9.578 -8.726 108 HG21 VAL 21 HG21 VAL 21 -5.615 -8.415 -9.988 109 HG22 VAL 21 HG22 VAL 21 -4.416 -7.755 -8.881 110 HG23 VAL 21 HG23 VAL 21 -6.119 -7.390 -8.646 111 H SER 22 HN SER 22 -4.969 -11.623 -7.185 112 HA SER 22 HA SER 22 -4.718 -12.760 -4.675 113 HB2 SER 22 HB2 SER 22 -7.373 -11.577 -5.140 114 HB3 SER 22 HB1 SER 22 -7.416 -13.253 -4.596 115 HG SER 22 HG SER 22 -6.733 -12.631 -2.714 116 H THR 23 HN THR 23 -4.535 -14.913 -4.930 117 HA THR 23 HA THR 23 -4.809 -16.073 -7.505 118 HB THR 23 HB THR 23 -4.357 -18.233 -6.231 119 HG1 THR 23 HG1 THR 23 -4.471 -18.155 -4.151 120 HG21 THR 23 HG21 THR 23 -2.575 -15.802 -6.032 121 HG22 THR 23 HG22 THR 23 -2.487 -17.127 -7.189 122 HG23 THR 23 HG23 THR 23 -2.039 -17.394 -5.504 123 H ALA 24 HN ALA 24 -6.935 -15.817 -4.760 124 HA ALA 24 HA ALA 24 -8.699 -17.943 -5.603 125 HB1 ALA 24 HB1 ALA 24 -9.290 -15.754 -3.611 126 HB2 ALA 24 HB2 ALA 24 -8.349 -17.189 -3.204 127 HB3 ALA 24 HB3 ALA 24 -10.028 -17.352 -3.717 128 H THR 25 HN THR 25 -8.720 -14.409 -5.638 129 HA THR 25 HA THR 25 -11.286 -13.965 -6.656 130 HB THR 25 HB THR 25 -10.234 -11.875 -7.688 131 HG1 THR 25 HG1 THR 25 -8.072 -13.325 -7.300 132 HG21 THR 25 HG21 THR 25 -11.234 -11.834 -5.472 133 HG22 THR 25 HG22 THR 25 -9.730 -10.911 -5.439 134 HG23 THR 25 HG23 THR 25 -9.780 -12.542 -4.769 135 H VAL 26 HN VAL 26 -8.273 -13.981 -8.593 136 HA VAL 26 HA VAL 26 -9.417 -13.992 -11.109 137 HB VAL 26 HB VAL 26 -6.950 -13.829 -10.502 138 HG11 VAL 26 HG11 VAL 26 -7.002 -16.837 -10.769 139 HG12 VAL 26 HG12 VAL 26 -7.089 -16.053 -9.194 140 HG13 VAL 26 HG13 VAL 26 -5.678 -15.809 -10.221 141 HG21 VAL 26 HG21 VAL 26 -6.242 -14.859 -12.647 142 HG22 VAL 26 HG22 VAL 26 -7.746 -13.956 -12.833 143 HG23 VAL 26 HG23 VAL 26 -7.782 -15.716 -12.733 144 H SER 27 HN SER 27 -9.197 -16.576 -8.788 145 HA SER 27 HA SER 27 -9.732 -18.713 -10.631 146 HB2 SER 27 HB2 SER 27 -8.677 -18.809 -8.247 147 HB3 SER 27 HB1 SER 27 -10.346 -18.856 -7.693 148 HG SER 27 HG SER 27 -10.480 -20.834 -8.377 149 H ARG 28 HN ARG 28 -11.659 -16.537 -8.669 150 HA ARG 28 HA ARG 28 -14.123 -17.999 -9.094 151 HB2 ARG 28 HB2 ARG 28 -13.531 -15.285 -7.901 152 HB3 ARG 28 HB1 ARG 28 -15.150 -15.976 -8.013 153 HG2 ARG 28 HG2 ARG 28 -14.313 -17.979 -6.748 154 HG3 ARG 28 HG1 ARG 28 -12.781 -17.134 -6.519 155 HD2 ARG 28 HD2 ARG 28 -15.457 -16.012 -5.668 156 HD3 ARG 28 HD1 ARG 28 -14.387 -16.901 -4.590 157 HE ARG 28 HE ARG 28 -13.988 -14.195 -5.600 158 HH11 ARG 28 HH21 ARG 28 -12.661 -17.016 -4.096 159 HH12 ARG 28 HH22 ARG 28 -11.333 -16.173 -3.374 160 HH21 ARG 28 HH11 ARG 28 -12.247 -13.085 -4.653 161 HH22 ARG 28 HH12 ARG 28 -11.097 -13.948 -3.689 162 H ALA 29 HN ALA 29 -12.287 -15.640 -10.765 163 HA ALA 29 HA ALA 29 -14.198 -14.140 -12.102 164 HB1 ALA 29 HB1 ALA 29 -11.597 -15.200 -13.229 165 HB2 ALA 29 HB2 ALA 29 -11.772 -13.729 -12.271 166 HB3 ALA 29 HB3 ALA 29 -12.520 -13.839 -13.864 167 H LEU 30 HN LEU 30 -13.577 -17.491 -12.315 168 HA LEU 30 HA LEU 30 -14.682 -17.799 -14.993 169 HB2 LEU 30 HB2 LEU 30 -13.578 -19.674 -12.913 170 HB3 LEU 30 HB1 LEU 30 -14.505 -20.303 -14.275 171 HG LEU 30 HG LEU 30 -12.976 -19.199 -15.850 172 HD11 LEU 30 HD11 LEU 30 -12.271 -17.256 -14.670 173 HD12 LEU 30 HD12 LEU 30 -10.824 -18.250 -14.818 174 HD13 LEU 30 HD13 LEU 30 -11.705 -18.204 -13.294 175 HD21 LEU 30 HD21 LEU 30 -11.433 -20.754 -13.751 176 HD22 LEU 30 HD22 LEU 30 -11.033 -20.610 -15.462 177 HD23 LEU 30 HD23 LEU 30 -12.474 -21.496 -14.965 178 H MET 31 HN MET 31 -15.890 -17.432 -11.875 179 HA MET 31 HA MET 31 -18.473 -18.650 -12.670 180 HB2 MET 31 HB2 MET 31 -17.167 -18.585 -9.944 181 HB3 MET 31 HB1 MET 31 -18.848 -19.035 -10.221 182 HG2 MET 31 HG2 MET 31 -18.108 -20.839 -11.749 183 HG3 MET 31 HG1 MET 31 -16.429 -20.406 -11.431 184 HE1 MET 31 HE1 MET 31 -15.502 -20.070 -9.295 185 HE2 MET 31 HE2 MET 31 -15.070 -21.774 -9.367 186 HE3 MET 31 HE3 MET 31 -15.739 -21.105 -7.882 187 H ASN 32 HN ASN 32 -16.809 -16.057 -10.960 188 HA ASN 32 HA ASN 32 -18.879 -14.197 -11.560 189 HB2 ASN 32 HB2 ASN 32 -18.752 -15.388 -8.838 190 HB3 ASN 32 HB1 ASN 32 -19.214 -13.694 -9.014 191 HD21 ASN 32 HD21 ASN 32 -21.105 -13.254 -10.512 192 HD22 ASN 32 HD22 ASN 32 -22.303 -14.446 -10.668 193 HA PRO 33 HA PRO 33 -14.808 -12.258 -10.876 194 HB2 PRO 33 HB2 PRO 33 -15.031 -10.419 -12.880 195 HB3 PRO 33 HB1 PRO 33 -14.547 -12.099 -13.167 196 HG2 PRO 33 HG2 PRO 33 -17.173 -10.782 -13.617 197 HG3 PRO 33 HG1 PRO 33 -16.368 -12.050 -14.557 198 HD2 PRO 33 HD2 PRO 33 -18.423 -12.475 -12.743 199 HD3 PRO 33 HD1 PRO 33 -17.284 -13.735 -13.275 200 H ASP 34 HN ASP 34 -18.011 -10.911 -10.978 201 HA ASP 34 HA ASP 34 -17.398 -8.262 -10.169 202 HB2 ASP 34 HB2 ASP 34 -19.770 -8.104 -9.592 203 HB3 ASP 34 HB1 ASP 34 -19.569 -8.906 -11.149 204 H LYS 35 HN LYS 35 -16.072 -10.438 -8.628 205 HA LYS 35 HA LYS 35 -17.100 -9.838 -5.924 206 HB2 LYS 35 HB2 LYS 35 -15.505 -12.160 -7.006 207 HB3 LYS 35 HB1 LYS 35 -15.680 -11.843 -5.279 208 HG2 LYS 35 HG2 LYS 35 -18.150 -11.918 -5.534 209 HG3 LYS 35 HG1 LYS 35 -17.945 -12.301 -7.244 210 HD2 LYS 35 HD2 LYS 35 -16.765 -14.363 -6.683 211 HD3 LYS 35 HD1 LYS 35 -16.840 -13.967 -4.964 212 HE2 LYS 35 HE2 LYS 35 -19.306 -14.035 -5.056 213 HE3 LYS 35 HE1 LYS 35 -19.232 -14.441 -6.768 214 HZ1 LYS 35 HZ1 LYS 35 -17.742 -16.087 -4.850 215 HZ2 LYS 35 HZ2 LYS 35 -18.433 -16.523 -6.339 216 HZ3 LYS 35 HZ3 LYS 35 -19.420 -16.300 -4.974 217 H VAL 36 HN VAL 36 -15.048 -8.502 -7.924 218 HA VAL 36 HA VAL 36 -12.736 -8.370 -6.108 219 HB VAL 36 HB VAL 36 -11.682 -7.102 -7.981 220 HG11 VAL 36 HG11 VAL 36 -11.413 -9.543 -7.795 221 HG12 VAL 36 HG12 VAL 36 -11.498 -9.060 -9.488 222 HG13 VAL 36 HG13 VAL 36 -12.901 -9.786 -8.705 223 HG21 VAL 36 HG21 VAL 36 -12.844 -7.063 -10.155 224 HG22 VAL 36 HG22 VAL 36 -13.777 -6.190 -8.941 225 HG23 VAL 36 HG23 VAL 36 -14.258 -7.815 -9.419 226 H SER 37 HN SER 37 -11.980 -6.392 -5.291 227 HA SER 37 HA SER 37 -13.904 -4.586 -4.370 228 HB2 SER 37 HB2 SER 37 -11.705 -4.907 -3.294 229 HB3 SER 37 HB1 SER 37 -10.926 -4.140 -4.675 230 HG SER 37 HG SER 37 -11.459 -2.781 -2.777 231 H GLN 38 HN GLN 38 -14.327 -2.412 -4.905 232 HA GLN 38 HA GLN 38 -14.782 -1.822 -7.566 233 HB2 GLN 38 HB2 GLN 38 -14.374 -0.020 -5.179 234 HB3 GLN 38 HB1 GLN 38 -14.789 0.617 -6.771 235 HG2 GLN 38 HG2 GLN 38 -16.398 -1.572 -5.446 236 HG3 GLN 38 HG1 GLN 38 -16.754 0.135 -5.201 237 HE21 GLN 38 HE21 GLN 38 -16.522 1.289 -7.657 238 HE22 GLN 38 HE22 GLN 38 -17.534 0.538 -8.793 239 H ALA 39 HN ALA 39 -11.997 -0.876 -5.573 240 HA ALA 39 HA ALA 39 -10.631 0.602 -7.560 241 HB1 ALA 39 HB1 ALA 39 -10.008 0.689 -5.180 242 HB2 ALA 39 HB2 ALA 39 -8.621 0.220 -6.165 243 HB3 ALA 39 HB3 ALA 39 -9.500 -1.000 -5.242 244 H THR 40 HN THR 40 -10.151 -2.787 -6.516 245 HA THR 40 HA THR 40 -8.318 -3.441 -8.569 246 HB THR 40 HB THR 40 -10.166 -5.204 -6.944 247 HG1 THR 40 HG1 THR 40 -8.664 -4.150 -5.686 248 HG21 THR 40 HG21 THR 40 -7.866 -5.847 -8.802 249 HG22 THR 40 HG22 THR 40 -9.525 -6.434 -8.906 250 HG23 THR 40 HG23 THR 40 -8.481 -6.977 -7.600 251 H ARG 41 HN ARG 41 -11.739 -3.082 -8.531 252 HA ARG 41 HA ARG 41 -12.414 -4.823 -10.673 253 HB2 ARG 41 HB2 ARG 41 -14.066 -3.883 -9.059 254 HB3 ARG 41 HB1 ARG 41 -13.843 -2.308 -9.803 255 HG2 ARG 41 HG2 ARG 41 -14.637 -3.114 -11.937 256 HG3 ARG 41 HG1 ARG 41 -14.720 -4.765 -11.320 257 HD2 ARG 41 HD2 ARG 41 -16.444 -4.119 -9.717 258 HD3 ARG 41 HD1 ARG 41 -16.319 -2.436 -10.223 259 HE ARG 41 HE ARG 41 -17.556 -2.958 -12.133 260 HH11 ARG 41 HH21 ARG 41 -16.520 -5.802 -10.455 261 HH12 ARG 41 HH22 ARG 41 -17.508 -6.878 -11.387 262 HH21 ARG 41 HH11 ARG 41 -18.855 -4.363 -13.357 263 HH22 ARG 41 HH12 ARG 41 -18.830 -6.062 -13.028 264 H ASN 42 HN ASN 42 -11.753 -1.326 -10.543 265 HA ASN 42 HA ASN 42 -12.053 -0.900 -13.335 266 HB2 ASN 42 HB2 ASN 42 -11.257 1.283 -12.936 267 HB3 ASN 42 HB1 ASN 42 -12.074 0.836 -11.439 268 HD21 ASN 42 HD21 ASN 42 -8.793 0.827 -12.930 269 HD22 ASN 42 HD22 ASN 42 -7.969 1.061 -11.464 270 H ARG 43 HN ARG 43 -9.292 -1.684 -11.282 271 HA ARG 43 HA ARG 43 -7.270 -1.326 -13.217 272 HB2 ARG 43 HB2 ARG 43 -7.344 -3.197 -10.837 273 HB3 ARG 43 HB1 ARG 43 -5.899 -2.741 -11.735 274 HG2 ARG 43 HG2 ARG 43 -7.696 -0.642 -10.520 275 HG3 ARG 43 HG1 ARG 43 -6.444 -1.425 -9.560 276 HD2 ARG 43 HD2 ARG 43 -4.786 -0.778 -11.354 277 HD3 ARG 43 HD1 ARG 43 -6.060 0.178 -12.101 278 HE ARG 43 HE ARG 43 -5.910 0.959 -9.425 279 HH11 ARG 43 HH21 ARG 43 -3.958 0.917 -12.283 280 HH12 ARG 43 HH22 ARG 43 -3.060 2.335 -11.857 281 HH21 ARG 43 HH11 ARG 43 -4.736 2.819 -8.861 282 HH22 ARG 43 HH12 ARG 43 -3.500 3.412 -9.919 283 H VAL 44 HN VAL 44 -9.244 -4.125 -12.329 284 HA VAL 44 HA VAL 44 -7.942 -6.020 -13.956 285 HB VAL 44 HB VAL 44 -10.756 -5.832 -12.881 286 HG11 VAL 44 HG11 VAL 44 -11.044 -7.125 -14.856 287 HG12 VAL 44 HG12 VAL 44 -10.830 -8.312 -13.572 288 HG13 VAL 44 HG13 VAL 44 -9.488 -7.932 -14.650 289 HG21 VAL 44 HG21 VAL 44 -8.609 -7.861 -12.253 290 HG22 VAL 44 HG22 VAL 44 -10.004 -7.400 -11.278 291 HG23 VAL 44 HG23 VAL 44 -8.638 -6.298 -11.446 292 H GLU 45 HN GLU 45 -10.733 -3.911 -14.584 293 HA GLU 45 HA GLU 45 -11.462 -4.789 -17.101 294 HB2 GLU 45 HB2 GLU 45 -12.678 -3.042 -15.843 295 HB3 GLU 45 HB1 GLU 45 -11.357 -1.912 -16.148 296 HG2 GLU 45 HG2 GLU 45 -12.743 -3.326 -18.426 297 HG3 GLU 45 HG1 GLU 45 -13.412 -1.850 -17.737 298 H LYS 46 HN LYS 46 -9.041 -2.282 -16.322 299 HA LYS 46 HA LYS 46 -8.202 -1.930 -19.024 300 HB2 LYS 46 HB2 LYS 46 -7.874 -0.228 -17.241 301 HB3 LYS 46 HB1 LYS 46 -6.695 -1.295 -16.477 302 HG2 LYS 46 HG2 LYS 46 -5.292 -1.235 -18.483 303 HG3 LYS 46 HG1 LYS 46 -6.485 -0.237 -19.313 304 HD2 LYS 46 HD2 LYS 46 -6.185 1.532 -17.611 305 HD3 LYS 46 HD1 LYS 46 -4.976 0.536 -16.797 306 HE2 LYS 46 HE2 LYS 46 -3.735 0.492 -19.048 307 HE3 LYS 46 HE1 LYS 46 -4.812 1.800 -19.538 308 HZ1 LYS 46 HZ1 LYS 46 -3.699 3.253 -18.302 309 HZ2 LYS 46 HZ2 LYS 46 -2.485 2.074 -18.148 310 HZ3 LYS 46 HZ3 LYS 46 -3.678 2.230 -16.949 311 H ALA 47 HN ALA 47 -7.032 -3.884 -16.320 312 HA ALA 47 HA ALA 47 -4.665 -4.815 -17.565 313 HB1 ALA 47 HB1 ALA 47 -4.475 -6.299 -15.762 314 HB2 ALA 47 HB2 ALA 47 -6.223 -6.437 -15.565 315 HB3 ALA 47 HB3 ALA 47 -5.394 -4.959 -15.079 316 H ALA 48 HN ALA 48 -7.981 -5.594 -18.010 317 HA ALA 48 HA ALA 48 -7.645 -8.263 -18.986 318 HB1 ALA 48 HB1 ALA 48 -9.945 -8.058 -19.748 319 HB2 ALA 48 HB2 ALA 48 -9.895 -6.312 -19.519 320 HB3 ALA 48 HB3 ALA 48 -9.801 -7.386 -18.125 321 H ARG 49 HN ARG 49 -7.820 -5.064 -20.491 322 HA ARG 49 HA ARG 49 -7.787 -6.002 -23.179 323 HB2 ARG 49 HB2 ARG 49 -8.549 -3.730 -22.519 324 HB3 ARG 49 HB1 ARG 49 -6.885 -3.322 -22.098 325 HG2 ARG 49 HG2 ARG 49 -6.178 -3.776 -24.420 326 HG3 ARG 49 HG1 ARG 49 -7.838 -4.194 -24.845 327 HD2 ARG 49 HD2 ARG 49 -8.566 -1.919 -24.228 328 HD3 ARG 49 HD1 ARG 49 -6.908 -1.501 -23.808 329 HE ARG 49 HE ARG 49 -7.212 -2.482 -26.513 330 HH11 ARG 49 HH21 ARG 49 -7.343 0.240 -24.381 331 HH12 ARG 49 HH22 ARG 49 -7.037 1.405 -25.623 332 HH21 ARG 49 HH11 ARG 49 -6.810 -0.959 -28.151 333 HH22 ARG 49 HH12 ARG 49 -6.735 0.726 -27.758 334 H GLU 50 HN GLU 50 -5.272 -4.981 -20.907 335 HA GLU 50 HA GLU 50 -3.094 -4.960 -22.670 336 HB2 GLU 50 HB2 GLU 50 -3.278 -5.552 -19.713 337 HB3 GLU 50 HB1 GLU 50 -1.742 -5.458 -20.574 338 HG2 GLU 50 HG2 GLU 50 -2.245 -3.166 -21.278 339 HG3 GLU 50 HG1 GLU 50 -3.824 -3.250 -20.500 340 H VAL 51 HN VAL 51 -4.263 -7.601 -20.565 341 HA VAL 51 HA VAL 51 -2.426 -9.501 -21.725 342 HB VAL 51 HB VAL 51 -3.322 -9.536 -19.336 343 HG11 VAL 51 HG11 VAL 51 -5.672 -11.008 -20.497 344 HG12 VAL 51 HG12 VAL 51 -5.747 -9.255 -20.327 345 HG13 VAL 51 HG13 VAL 51 -5.500 -10.271 -18.909 346 HG21 VAL 51 HG21 VAL 51 -3.338 -11.985 -19.277 347 HG22 VAL 51 HG22 VAL 51 -2.122 -11.433 -20.427 348 HG23 VAL 51 HG23 VAL 51 -3.670 -12.045 -21.007 349 H GLY 52 HN GLY 52 -5.463 -8.242 -22.577 350 HA2 GLY 52 HA2 GLY 52 -7.110 -8.912 -24.056 351 HA3 GLY 52 HA1 GLY 52 -5.725 -9.425 -25.015 352 H TYR 53 HN TYR 53 -6.571 -10.808 -21.903 353 HA TYR 53 HA TYR 53 -7.674 -13.205 -23.199 354 HB2 TYR 53 HB2 TYR 53 -5.130 -13.392 -22.803 355 HB3 TYR 53 HB1 TYR 53 -5.535 -13.460 -21.088 356 HD1 TYR 53 HD1 TYR 53 -6.535 -15.000 -24.361 357 HD2 TYR 53 HD2 TYR 53 -6.038 -15.535 -20.128 358 HE1 TYR 53 HE1 TYR 53 -7.111 -17.402 -24.595 359 HE2 TYR 53 HE2 TYR 53 -6.613 -17.932 -20.361 360 HH TYR 53 HH TYR 53 -8.018 -19.221 -23.154 361 H LEU 54 HN LEU 54 -9.580 -13.481 -22.255 362 HA LEU 54 HA LEU 54 -9.929 -12.753 -19.425 363 HB2 LEU 54 HB2 LEU 54 -11.896 -13.241 -21.665 364 HB3 LEU 54 HB1 LEU 54 -12.385 -13.070 -19.994 365 HG LEU 54 HG LEU 54 -10.543 -10.986 -21.108 366 HD11 LEU 54 HD11 LEU 54 -12.522 -9.747 -22.010 367 HD12 LEU 54 HD12 LEU 54 -13.489 -11.206 -21.791 368 HD13 LEU 54 HD13 LEU 54 -12.139 -11.205 -22.926 369 HD21 LEU 54 HD21 LEU 54 -13.045 -10.713 -19.426 370 HD22 LEU 54 HD22 LEU 54 -11.696 -9.587 -19.554 371 HD23 LEU 54 HD23 LEU 54 -11.485 -11.123 -18.720 372 HA PRO 55 HA PRO 55 -11.250 -17.324 -19.686 373 HB2 PRO 55 HB2 PRO 55 -10.491 -18.775 -21.867 374 HB3 PRO 55 HB1 PRO 55 -11.982 -17.814 -21.819 375 HG2 PRO 55 HG2 PRO 55 -9.433 -17.264 -23.207 376 HG3 PRO 55 HG1 PRO 55 -11.072 -16.732 -23.606 377 HD2 PRO 55 HD2 PRO 55 -9.040 -15.209 -22.309 378 HD3 PRO 55 HD1 PRO 55 -10.737 -14.745 -22.538 Start of MODEL 9 1 H1 ALA 9 HT1 ALA 9 2.981 -11.133 -23.607 2 H2 ALA 9 HT2 ALA 9 1.776 -10.838 -24.768 3 H3 ALA 9 HT3 ALA 9 3.273 -11.491 -25.238 4 HA ALA 9 HA ALA 9 1.083 -12.955 -24.819 5 HB1 ALA 9 HB1 ALA 9 3.371 -13.565 -25.786 6 HB2 ALA 9 HB2 ALA 9 2.552 -14.839 -24.884 7 HB3 ALA 9 HB3 ALA 9 3.865 -13.930 -24.132 8 H ALA 10 HN ALA 10 0.914 -11.278 -22.622 9 HA ALA 10 HA ALA 10 1.725 -12.662 -20.219 10 HB1 ALA 10 HB1 ALA 10 0.254 -10.886 -19.131 11 HB2 ALA 10 HB2 ALA 10 0.021 -10.231 -20.750 12 HB3 ALA 10 HB3 ALA 10 1.638 -10.294 -20.050 13 H THR 11 HN THR 11 -0.252 -12.724 -18.505 14 HA THR 11 HA THR 11 -2.603 -13.997 -19.719 15 HB THR 11 HB THR 11 -0.994 -15.333 -17.532 16 HG1 THR 11 HG1 THR 11 -0.154 -15.192 -19.837 17 HG21 THR 11 HG21 THR 11 -3.438 -15.781 -17.597 18 HG22 THR 11 HG22 THR 11 -2.484 -17.214 -17.973 19 HG23 THR 11 HG23 THR 11 -3.273 -16.317 -19.269 20 H MET 12 HN MET 12 -4.440 -13.935 -18.434 21 HA MET 12 HA MET 12 -4.777 -11.766 -16.734 22 HB2 MET 12 HB2 MET 12 -6.600 -13.094 -17.864 23 HB3 MET 12 HB1 MET 12 -6.384 -14.328 -16.624 24 HG2 MET 12 HG2 MET 12 -8.180 -12.910 -15.892 25 HG3 MET 12 HG1 MET 12 -6.782 -12.523 -14.892 26 HE1 MET 12 HE1 MET 12 -9.638 -10.767 -16.166 27 HE2 MET 12 HE2 MET 12 -9.149 -11.619 -17.627 28 HE3 MET 12 HE3 MET 12 -9.155 -9.858 -17.606 29 H LYS 13 HN LYS 13 -3.836 -15.083 -15.996 30 HA LYS 13 HA LYS 13 -4.132 -14.953 -13.195 31 HB2 LYS 13 HB2 LYS 13 -3.847 -17.047 -14.498 32 HB3 LYS 13 HB1 LYS 13 -2.166 -16.602 -14.790 33 HG2 LYS 13 HG2 LYS 13 -1.723 -16.576 -12.381 34 HG3 LYS 13 HG1 LYS 13 -3.413 -16.956 -12.048 35 HD2 LYS 13 HD2 LYS 13 -1.857 -18.793 -13.868 36 HD3 LYS 13 HD1 LYS 13 -1.581 -18.893 -12.130 37 HE2 LYS 13 HE2 LYS 13 -4.312 -19.070 -13.434 38 HE3 LYS 13 HE1 LYS 13 -3.360 -20.461 -12.916 39 HZ1 LYS 13 HZ1 LYS 13 -4.869 -19.915 -11.183 40 HZ2 LYS 13 HZ2 LYS 13 -4.421 -18.277 -11.214 41 HZ3 LYS 13 HZ3 LYS 13 -3.322 -19.451 -10.665 42 H ASP 14 HN ASP 14 -1.400 -14.243 -15.348 43 HA ASP 14 HA ASP 14 0.509 -13.772 -13.358 44 HB2 ASP 14 HB2 ASP 14 0.249 -12.766 -16.185 45 HB3 ASP 14 HB1 ASP 14 1.634 -12.380 -15.167 46 H VAL 15 HN VAL 15 -1.957 -11.733 -14.778 47 HA VAL 15 HA VAL 15 -1.038 -9.249 -13.854 48 HB VAL 15 HB VAL 15 -3.841 -10.251 -14.406 49 HG11 VAL 15 HG11 VAL 15 -2.824 -7.499 -13.689 50 HG12 VAL 15 HG12 VAL 15 -4.155 -8.397 -12.961 51 HG13 VAL 15 HG13 VAL 15 -4.322 -7.738 -14.589 52 HG21 VAL 15 HG21 VAL 15 -2.098 -10.100 -16.273 53 HG22 VAL 15 HG22 VAL 15 -2.117 -8.358 -16.017 54 HG23 VAL 15 HG23 VAL 15 -3.585 -9.188 -16.530 55 H ALA 16 HN ALA 16 -3.190 -11.633 -12.352 56 HA ALA 16 HA ALA 16 -3.937 -10.215 -10.082 57 HB1 ALA 16 HB1 ALA 16 -3.371 -13.172 -10.401 58 HB2 ALA 16 HB2 ALA 16 -4.930 -12.366 -10.581 59 HB3 ALA 16 HB3 ALA 16 -4.164 -12.462 -8.996 60 H LEU 17 HN LEU 17 -1.026 -12.104 -10.704 61 HA LEU 17 HA LEU 17 0.064 -11.953 -8.107 62 HB2 LEU 17 HB2 LEU 17 0.885 -13.497 -9.854 63 HB3 LEU 17 HB1 LEU 17 1.519 -12.125 -10.762 64 HG LEU 17 HG LEU 17 2.335 -12.603 -7.881 65 HD11 LEU 17 HD11 LEU 17 2.934 -14.670 -8.861 66 HD12 LEU 17 HD12 LEU 17 4.410 -13.702 -8.904 67 HD13 LEU 17 HD13 LEU 17 3.447 -13.904 -10.365 68 HD21 LEU 17 HD21 LEU 17 3.340 -10.585 -8.326 69 HD22 LEU 17 HD22 LEU 17 3.180 -10.751 -10.070 70 HD23 LEU 17 HD23 LEU 17 4.522 -11.526 -9.228 71 H LYS 18 HN LYS 18 0.530 -9.876 -10.959 72 HA LYS 18 HA LYS 18 2.333 -8.067 -9.721 73 HB2 LYS 18 HB2 LYS 18 2.044 -8.286 -12.182 74 HB3 LYS 18 HB1 LYS 18 0.451 -7.543 -12.031 75 HG2 LYS 18 HG2 LYS 18 1.453 -5.506 -11.100 76 HG3 LYS 18 HG1 LYS 18 3.053 -6.247 -11.154 77 HD2 LYS 18 HD2 LYS 18 2.872 -6.455 -13.610 78 HD3 LYS 18 HD1 LYS 18 1.282 -5.692 -13.553 79 HE2 LYS 18 HE2 LYS 18 2.263 -3.651 -12.617 80 HE3 LYS 18 HE1 LYS 18 3.856 -4.410 -12.589 81 HZ1 LYS 18 HZ1 LYS 18 3.939 -3.299 -14.566 82 HZ2 LYS 18 HZ2 LYS 18 2.278 -3.473 -14.878 83 HZ3 LYS 18 HZ3 LYS 18 3.332 -4.789 -15.100 84 H ALA 19 HN ALA 19 -1.175 -8.138 -10.049 85 HA ALA 19 HA ALA 19 -1.497 -5.566 -8.709 86 HB1 ALA 19 HB1 ALA 19 -3.172 -5.819 -10.302 87 HB2 ALA 19 HB2 ALA 19 -4.016 -6.402 -8.868 88 HB3 ALA 19 HB3 ALA 19 -3.325 -7.548 -10.016 89 H LYS 20 HN LYS 20 -0.841 -8.641 -7.706 90 HA LYS 20 HA LYS 20 -1.136 -9.813 -5.748 91 HB2 LYS 20 HB2 LYS 20 0.189 -7.667 -5.142 92 HB3 LYS 20 HB1 LYS 20 -1.317 -7.112 -4.411 93 HG2 LYS 20 HG2 LYS 20 -1.381 -9.095 -2.956 94 HG3 LYS 20 HG1 LYS 20 0.069 -9.735 -3.730 95 HD2 LYS 20 HD2 LYS 20 1.361 -7.804 -2.958 96 HD3 LYS 20 HD1 LYS 20 -0.085 -7.118 -2.217 97 HE2 LYS 20 HE2 LYS 20 1.033 -8.221 -0.434 98 HE3 LYS 20 HE1 LYS 20 -0.257 -9.329 -0.903 99 HZ1 LYS 20 HZ1 LYS 20 1.326 -10.538 -2.270 100 HZ2 LYS 20 HZ2 LYS 20 1.849 -10.484 -0.654 101 HZ3 LYS 20 HZ3 LYS 20 2.567 -9.473 -1.817 102 H VAL 21 HN VAL 21 -3.525 -9.526 -7.096 103 HA VAL 21 HA VAL 21 -5.618 -8.474 -5.470 104 HB VAL 21 HB VAL 21 -5.791 -10.594 -7.619 105 HG11 VAL 21 HG11 VAL 21 -8.119 -9.754 -7.823 106 HG12 VAL 21 HG12 VAL 21 -7.835 -8.686 -6.447 107 HG13 VAL 21 HG13 VAL 21 -7.805 -10.433 -6.228 108 HG21 VAL 21 HG21 VAL 21 -5.864 -7.566 -7.732 109 HG22 VAL 21 HG22 VAL 21 -6.415 -8.602 -9.051 110 HG23 VAL 21 HG23 VAL 21 -4.730 -8.645 -8.542 111 H SER 22 HN SER 22 -5.294 -11.872 -6.388 112 HA SER 22 HA SER 22 -4.875 -13.065 -3.943 113 HB2 SER 22 HB2 SER 22 -6.738 -12.253 -2.821 114 HB3 SER 22 HB1 SER 22 -7.683 -12.105 -4.297 115 HG SER 22 HG SER 22 -6.969 -14.506 -2.957 116 H THR 23 HN THR 23 -4.811 -15.243 -4.151 117 HA THR 23 HA THR 23 -5.007 -16.388 -6.730 118 HB THR 23 HB THR 23 -3.580 -17.158 -4.722 119 HG1 THR 23 HG1 THR 23 -4.904 -18.621 -6.646 120 HG21 THR 23 HG21 THR 23 -4.531 -18.666 -3.159 121 HG22 THR 23 HG22 THR 23 -5.996 -18.867 -4.120 122 HG23 THR 23 HG23 THR 23 -5.710 -17.358 -3.259 123 H ALA 24 HN ALA 24 -7.246 -16.199 -4.029 124 HA ALA 24 HA ALA 24 -9.059 -18.171 -5.044 125 HB1 ALA 24 HB1 ALA 24 -9.237 -16.075 -2.883 126 HB2 ALA 24 HB2 ALA 24 -9.130 -17.825 -2.705 127 HB3 ALA 24 HB3 ALA 24 -10.611 -17.091 -3.316 128 H THR 25 HN THR 25 -8.847 -14.665 -5.116 129 HA THR 25 HA THR 25 -11.365 -14.086 -6.228 130 HB THR 25 HB THR 25 -10.172 -12.029 -7.180 131 HG1 THR 25 HG1 THR 25 -8.101 -13.601 -6.620 132 HG21 THR 25 HG21 THR 25 -9.723 -11.123 -4.882 133 HG22 THR 25 HG22 THR 25 -9.931 -12.756 -4.249 134 HG23 THR 25 HG23 THR 25 -11.281 -11.934 -5.029 135 H VAL 26 HN VAL 26 -8.281 -14.131 -8.031 136 HA VAL 26 HA VAL 26 -9.337 -14.099 -10.584 137 HB VAL 26 HB VAL 26 -6.898 -13.951 -9.903 138 HG11 VAL 26 HG11 VAL 26 -5.621 -15.919 -9.557 139 HG12 VAL 26 HG12 VAL 26 -6.911 -16.963 -10.153 140 HG13 VAL 26 HG13 VAL 26 -7.070 -16.174 -8.586 141 HG21 VAL 26 HG21 VAL 26 -7.796 -15.733 -12.185 142 HG22 VAL 26 HG22 VAL 26 -6.129 -15.190 -12.004 143 HG23 VAL 26 HG23 VAL 26 -7.418 -14.011 -12.249 144 H SER 27 HN SER 27 -9.078 -16.769 -8.338 145 HA SER 27 HA SER 27 -9.693 -18.803 -10.297 146 HB2 SER 27 HB2 SER 27 -9.657 -20.335 -8.464 147 HB3 SER 27 HB1 SER 27 -8.363 -19.179 -8.173 148 HG SER 27 HG SER 27 -10.961 -18.752 -7.167 149 H ARG 28 HN ARG 28 -11.455 -16.990 -7.829 150 HA ARG 28 HA ARG 28 -13.934 -18.410 -8.342 151 HB2 ARG 28 HB2 ARG 28 -13.240 -16.060 -6.573 152 HB3 ARG 28 HB1 ARG 28 -14.868 -16.726 -6.722 153 HG2 ARG 28 HG2 ARG 28 -14.110 -18.897 -5.942 154 HG3 ARG 28 HG1 ARG 28 -12.435 -18.346 -5.925 155 HD2 ARG 28 HD2 ARG 28 -13.349 -18.273 -3.654 156 HD3 ARG 28 HD1 ARG 28 -13.036 -16.638 -4.228 157 HE ARG 28 HE ARG 28 -15.345 -16.245 -4.284 158 HH11 ARG 28 HH21 ARG 28 -14.603 -19.570 -3.689 159 HH12 ARG 28 HH22 ARG 28 -16.220 -19.994 -3.236 160 HH21 ARG 28 HH11 ARG 28 -17.469 -16.792 -3.692 161 HH22 ARG 28 HH12 ARG 28 -17.842 -18.421 -3.238 162 H ALA 29 HN ALA 29 -12.288 -15.679 -9.565 163 HA ALA 29 HA ALA 29 -14.251 -13.893 -10.279 164 HB1 ALA 29 HB1 ALA 29 -12.831 -13.331 -12.239 165 HB2 ALA 29 HB2 ALA 29 -11.880 -14.785 -11.941 166 HB3 ALA 29 HB3 ALA 29 -11.893 -13.481 -10.753 167 H LEU 30 HN LEU 30 -13.199 -16.726 -12.170 168 HA LEU 30 HA LEU 30 -15.215 -16.406 -14.158 169 HB2 LEU 30 HB2 LEU 30 -13.658 -18.893 -13.423 170 HB3 LEU 30 HB1 LEU 30 -14.509 -18.595 -14.941 171 HG LEU 30 HG LEU 30 -12.189 -16.944 -13.890 172 HD11 LEU 30 HD11 LEU 30 -10.999 -17.951 -15.881 173 HD12 LEU 30 HD12 LEU 30 -12.348 -19.074 -16.041 174 HD13 LEU 30 HD13 LEU 30 -11.350 -19.094 -14.586 175 HD21 LEU 30 HD21 LEU 30 -13.417 -15.467 -15.242 176 HD22 LEU 30 HD22 LEU 30 -13.973 -16.750 -16.319 177 HD23 LEU 30 HD23 LEU 30 -12.306 -16.178 -16.411 178 H MET 31 HN MET 31 -15.349 -17.447 -10.973 179 HA MET 31 HA MET 31 -17.630 -19.264 -11.419 180 HB2 MET 31 HB2 MET 31 -16.195 -18.544 -8.857 181 HB3 MET 31 HB1 MET 31 -17.415 -19.799 -9.059 182 HG2 MET 31 HG2 MET 31 -15.959 -20.959 -10.684 183 HG3 MET 31 HG1 MET 31 -14.728 -19.715 -10.462 184 HE1 MET 31 HE1 MET 31 -13.899 -22.270 -10.399 185 HE2 MET 31 HE2 MET 31 -13.385 -22.964 -8.864 186 HE3 MET 31 HE3 MET 31 -12.689 -21.441 -9.412 187 H ASN 32 HN ASN 32 -16.811 -16.389 -9.467 188 HA ASN 32 HA ASN 32 -19.685 -15.792 -9.319 189 HB2 ASN 32 HB2 ASN 32 -17.626 -15.814 -7.312 190 HB3 ASN 32 HB1 ASN 32 -18.176 -14.151 -7.476 191 HD21 ASN 32 HD21 ASN 32 -19.516 -13.959 -5.644 192 HD22 ASN 32 HD22 ASN 32 -20.855 -14.960 -5.347 193 HA PRO 33 HA PRO 33 -19.486 -12.009 -11.510 194 HB2 PRO 33 HB2 PRO 33 -20.141 -10.452 -9.025 195 HB3 PRO 33 HB1 PRO 33 -20.985 -10.486 -10.588 196 HG2 PRO 33 HG2 PRO 33 -21.987 -11.726 -8.461 197 HG3 PRO 33 HG1 PRO 33 -22.111 -12.439 -10.082 198 HD2 PRO 33 HD2 PRO 33 -20.267 -13.165 -7.832 199 HD3 PRO 33 HD1 PRO 33 -21.097 -14.203 -9.010 200 H ASP 34 HN ASP 34 -18.918 -9.432 -9.952 201 HA ASP 34 HA ASP 34 -16.031 -9.473 -10.317 202 HB2 ASP 34 HB2 ASP 34 -16.216 -7.047 -9.931 203 HB3 ASP 34 HB1 ASP 34 -17.267 -7.602 -11.231 204 H LYS 35 HN LYS 35 -15.886 -11.012 -8.404 205 HA LYS 35 HA LYS 35 -16.416 -10.098 -5.774 206 HB2 LYS 35 HB2 LYS 35 -15.928 -12.512 -6.624 207 HB3 LYS 35 HB1 LYS 35 -14.232 -12.061 -6.462 208 HG2 LYS 35 HG2 LYS 35 -14.613 -12.927 -4.330 209 HG3 LYS 35 HG1 LYS 35 -15.026 -11.239 -4.039 210 HD2 LYS 35 HD2 LYS 35 -17.415 -11.775 -4.493 211 HD3 LYS 35 HD1 LYS 35 -16.973 -13.472 -4.689 212 HE2 LYS 35 HE2 LYS 35 -16.405 -11.863 -2.191 213 HE3 LYS 35 HE1 LYS 35 -17.818 -12.900 -2.393 214 HZ1 LYS 35 HZ1 LYS 35 -16.246 -14.739 -2.896 215 HZ2 LYS 35 HZ2 LYS 35 -16.143 -14.154 -1.305 216 HZ3 LYS 35 HZ3 LYS 35 -14.969 -13.716 -2.450 217 H VAL 36 HN VAL 36 -14.136 -9.100 -8.018 218 HA VAL 36 HA VAL 36 -11.995 -8.496 -6.200 219 HB VAL 36 HB VAL 36 -10.991 -7.353 -8.076 220 HG11 VAL 36 HG11 VAL 36 -10.935 -9.156 -9.687 221 HG12 VAL 36 HG12 VAL 36 -12.500 -9.755 -9.136 222 HG13 VAL 36 HG13 VAL 36 -11.093 -9.868 -8.080 223 HG21 VAL 36 HG21 VAL 36 -13.773 -7.537 -9.253 224 HG22 VAL 36 HG22 VAL 36 -12.346 -7.185 -10.230 225 HG23 VAL 36 HG23 VAL 36 -12.828 -6.081 -8.942 226 H SER 37 HN SER 37 -11.338 -6.353 -5.640 227 HA SER 37 HA SER 37 -13.464 -4.707 -4.694 228 HB2 SER 37 HB2 SER 37 -10.481 -4.237 -4.783 229 HB3 SER 37 HB1 SER 37 -11.629 -3.173 -3.976 230 HG SER 37 HG SER 37 -11.188 -4.508 -2.378 231 H GLN 38 HN GLN 38 -13.803 -2.478 -5.193 232 HA GLN 38 HA GLN 38 -14.262 -1.925 -7.869 233 HB2 GLN 38 HB2 GLN 38 -13.824 -0.068 -5.523 234 HB3 GLN 38 HB1 GLN 38 -14.272 0.526 -7.120 235 HG2 GLN 38 HG2 GLN 38 -16.311 -0.833 -7.085 236 HG3 GLN 38 HG1 GLN 38 -15.858 -1.518 -5.527 237 HE21 GLN 38 HE21 GLN 38 -17.296 -0.606 -4.050 238 HE22 GLN 38 HE22 GLN 38 -17.615 1.057 -3.923 239 H ALA 39 HN ALA 39 -11.426 -1.131 -5.903 240 HA ALA 39 HA ALA 39 -10.070 0.393 -7.881 241 HB1 ALA 39 HB1 ALA 39 -8.918 -1.357 -5.681 242 HB2 ALA 39 HB2 ALA 39 -9.374 0.336 -5.498 243 HB3 ALA 39 HB3 ALA 39 -8.031 -0.108 -6.553 244 H THR 40 HN THR 40 -9.673 -3.051 -6.969 245 HA THR 40 HA THR 40 -7.934 -3.681 -9.102 246 HB THR 40 HB THR 40 -9.785 -5.444 -7.484 247 HG1 THR 40 HG1 THR 40 -7.009 -5.388 -7.254 248 HG21 THR 40 HG21 THR 40 -9.267 -6.645 -9.489 249 HG22 THR 40 HG22 THR 40 -8.162 -7.250 -8.259 250 HG23 THR 40 HG23 THR 40 -7.593 -6.099 -9.465 251 H ARG 41 HN ARG 41 -11.349 -3.270 -8.920 252 HA ARG 41 HA ARG 41 -12.138 -4.876 -11.109 253 HB2 ARG 41 HB2 ARG 41 -13.699 -3.889 -9.403 254 HB3 ARG 41 HB1 ARG 41 -13.445 -2.322 -10.156 255 HG2 ARG 41 HG2 ARG 41 -15.464 -3.249 -11.079 256 HG3 ARG 41 HG1 ARG 41 -14.227 -3.286 -12.331 257 HD2 ARG 41 HD2 ARG 41 -14.466 -5.712 -10.595 258 HD3 ARG 41 HD1 ARG 41 -15.736 -5.442 -11.783 259 HE ARG 41 HE ARG 41 -12.929 -6.047 -12.331 260 HH11 ARG 41 HH21 ARG 41 -16.008 -4.973 -13.468 261 HH12 ARG 41 HH22 ARG 41 -15.688 -5.362 -15.124 262 HH21 ARG 41 HH11 ARG 41 -12.493 -6.557 -14.496 263 HH22 ARG 41 HH12 ARG 41 -13.695 -6.260 -15.708 264 H ASN 42 HN ASN 42 -11.378 -1.399 -10.873 265 HA ASN 42 HA ASN 42 -11.709 -0.897 -13.641 266 HB2 ASN 42 HB2 ASN 42 -10.228 0.586 -11.470 267 HB3 ASN 42 HB1 ASN 42 -10.360 1.187 -13.122 268 HD21 ASN 42 HD21 ASN 42 -11.521 2.600 -10.907 269 HD22 ASN 42 HD22 ASN 42 -13.209 2.546 -11.074 270 H ARG 43 HN ARG 43 -8.908 -1.701 -11.664 271 HA ARG 43 HA ARG 43 -6.919 -1.351 -13.620 272 HB2 ARG 43 HB2 ARG 43 -6.547 -1.634 -11.139 273 HB3 ARG 43 HB1 ARG 43 -6.852 -3.357 -11.362 274 HG2 ARG 43 HG2 ARG 43 -5.022 -3.418 -13.063 275 HG3 ARG 43 HG1 ARG 43 -4.668 -1.729 -12.694 276 HD2 ARG 43 HD2 ARG 43 -4.598 -4.013 -10.702 277 HD3 ARG 43 HD1 ARG 43 -3.185 -3.259 -11.438 278 HE ARG 43 HE ARG 43 -4.746 -2.209 -9.260 279 HH11 ARG 43 HH21 ARG 43 -2.781 -1.431 -12.000 280 HH12 ARG 43 HH22 ARG 43 -2.285 0.107 -11.379 281 HH21 ARG 43 HH11 ARG 43 -4.102 -0.195 -8.442 282 HH22 ARG 43 HH12 ARG 43 -3.033 0.808 -9.364 283 H VAL 44 HN VAL 44 -8.819 -4.192 -12.670 284 HA VAL 44 HA VAL 44 -7.562 -6.040 -14.358 285 HB VAL 44 HB VAL 44 -10.332 -5.909 -13.172 286 HG11 VAL 44 HG11 VAL 44 -10.726 -7.184 -15.136 287 HG12 VAL 44 HG12 VAL 44 -10.413 -8.393 -13.892 288 HG13 VAL 44 HG13 VAL 44 -9.150 -7.967 -15.045 289 HG21 VAL 44 HG21 VAL 44 -9.496 -7.524 -11.643 290 HG22 VAL 44 HG22 VAL 44 -8.165 -6.382 -11.826 291 HG23 VAL 44 HG23 VAL 44 -8.128 -7.921 -12.680 292 H GLU 45 HN GLU 45 -10.428 -4.012 -14.882 293 HA GLU 45 HA GLU 45 -11.190 -4.897 -17.388 294 HB2 GLU 45 HB2 GLU 45 -11.279 -2.150 -16.143 295 HB3 GLU 45 HB1 GLU 45 -11.965 -2.470 -17.734 296 HG2 GLU 45 HG2 GLU 45 -13.451 -4.163 -16.795 297 HG3 GLU 45 HG1 GLU 45 -12.719 -3.967 -15.205 298 H LYS 46 HN LYS 46 -8.883 -2.270 -16.656 299 HA LYS 46 HA LYS 46 -8.154 -1.886 -19.383 300 HB2 LYS 46 HB2 LYS 46 -6.940 -1.042 -16.756 301 HB3 LYS 46 HB1 LYS 46 -6.200 -0.637 -18.308 302 HG2 LYS 46 HG2 LYS 46 -9.140 -0.059 -17.923 303 HG3 LYS 46 HG1 LYS 46 -7.965 1.028 -17.183 304 HD2 LYS 46 HD2 LYS 46 -7.587 0.262 -20.079 305 HD3 LYS 46 HD1 LYS 46 -8.815 1.461 -19.672 306 HE2 LYS 46 HE2 LYS 46 -7.116 2.800 -18.484 307 HE3 LYS 46 HE1 LYS 46 -5.886 1.605 -18.896 308 HZ1 LYS 46 HZ1 LYS 46 -5.915 3.494 -20.426 309 HZ2 LYS 46 HZ2 LYS 46 -7.513 3.114 -20.862 310 HZ3 LYS 46 HZ3 LYS 46 -6.252 2.030 -21.215 311 H ALA 47 HN ALA 47 -6.727 -3.676 -16.702 312 HA ALA 47 HA ALA 47 -4.343 -4.424 -18.014 313 HB1 ALA 47 HB1 ALA 47 -4.766 -4.573 -15.542 314 HB2 ALA 47 HB2 ALA 47 -4.065 -6.030 -16.247 315 HB3 ALA 47 HB3 ALA 47 -5.784 -5.976 -15.861 316 H ALA 48 HN ALA 48 -7.598 -5.570 -18.243 317 HA ALA 48 HA ALA 48 -7.042 -8.185 -19.233 318 HB1 ALA 48 HB1 ALA 48 -9.486 -6.497 -19.792 319 HB2 ALA 48 HB2 ALA 48 -9.243 -7.409 -18.301 320 HB3 ALA 48 HB3 ALA 48 -9.362 -8.257 -19.843 321 H ARG 49 HN ARG 49 -7.562 -5.045 -20.773 322 HA ARG 49 HA ARG 49 -7.537 -6.024 -23.444 323 HB2 ARG 49 HB2 ARG 49 -8.502 -3.834 -22.812 324 HB3 ARG 49 HB1 ARG 49 -6.882 -3.248 -22.434 325 HG2 ARG 49 HG2 ARG 49 -6.174 -3.620 -24.760 326 HG3 ARG 49 HG1 ARG 49 -7.762 -4.279 -25.154 327 HD2 ARG 49 HD2 ARG 49 -7.306 -1.479 -24.097 328 HD3 ARG 49 HD1 ARG 49 -7.475 -1.873 -25.805 329 HE ARG 49 HE ARG 49 -9.691 -2.961 -24.507 330 HH11 ARG 49 HH21 ARG 49 -8.229 0.127 -25.057 331 HH12 ARG 49 HH22 ARG 49 -9.727 0.997 -25.027 332 HH21 ARG 49 HH11 ARG 49 -11.660 -1.828 -24.467 333 HH22 ARG 49 HH12 ARG 49 -11.670 -0.110 -24.693 334 H GLU 50 HN GLU 50 -5.058 -4.740 -21.286 335 HA GLU 50 HA GLU 50 -2.957 -4.550 -23.143 336 HB2 GLU 50 HB2 GLU 50 -2.945 -5.064 -20.166 337 HB3 GLU 50 HB1 GLU 50 -1.476 -4.803 -21.105 338 HG2 GLU 50 HG2 GLU 50 -2.301 -2.605 -21.832 339 HG3 GLU 50 HG1 GLU 50 -3.808 -2.858 -20.956 340 H VAL 51 HN VAL 51 -3.838 -7.226 -20.961 341 HA VAL 51 HA VAL 51 -1.821 -8.972 -22.045 342 HB VAL 51 HB VAL 51 -2.836 -10.667 -20.610 343 HG11 VAL 51 HG11 VAL 51 -1.388 -8.732 -19.694 344 HG12 VAL 51 HG12 VAL 51 -2.345 -9.645 -18.532 345 HG13 VAL 51 HG13 VAL 51 -2.898 -8.063 -19.076 346 HG21 VAL 51 HG21 VAL 51 -4.834 -9.870 -19.189 347 HG22 VAL 51 HG22 VAL 51 -5.171 -10.303 -20.864 348 HG23 VAL 51 HG23 VAL 51 -5.038 -8.609 -20.404 349 H GLY 52 HN GLY 52 -4.983 -8.042 -22.971 350 HA2 GLY 52 HA2 GLY 52 -6.506 -8.888 -24.480 351 HA3 GLY 52 HA1 GLY 52 -5.056 -9.283 -25.400 352 H TYR 53 HN TYR 53 -6.289 -10.591 -22.341 353 HA TYR 53 HA TYR 53 -5.720 -13.293 -23.140 354 HB2 TYR 53 HB2 TYR 53 -5.548 -12.604 -20.787 355 HB3 TYR 53 HB1 TYR 53 -7.278 -12.252 -20.760 356 HD1 TYR 53 HD1 TYR 53 -4.848 -14.998 -21.509 357 HD2 TYR 53 HD2 TYR 53 -8.807 -13.957 -20.207 358 HE1 TYR 53 HE1 TYR 53 -5.307 -17.378 -20.998 359 HE2 TYR 53 HE2 TYR 53 -9.264 -16.337 -19.696 360 HH TYR 53 HH TYR 53 -8.524 -18.455 -19.988 361 H LEU 54 HN LEU 54 -7.048 -14.812 -23.957 362 HA LEU 54 HA LEU 54 -9.913 -14.150 -24.188 363 HB2 LEU 54 HB2 LEU 54 -8.043 -15.123 -26.337 364 HB3 LEU 54 HB1 LEU 54 -9.794 -15.296 -26.472 365 HG LEU 54 HG LEU 54 -8.711 -12.576 -25.738 366 HD11 LEU 54 HD11 LEU 54 -7.277 -13.263 -27.602 367 HD12 LEU 54 HD12 LEU 54 -8.413 -12.019 -28.124 368 HD13 LEU 54 HD13 LEU 54 -8.694 -13.708 -28.551 369 HD21 LEU 54 HD21 LEU 54 -10.659 -11.851 -27.084 370 HD22 LEU 54 HD22 LEU 54 -11.162 -13.006 -25.852 371 HD23 LEU 54 HD23 LEU 54 -10.985 -13.526 -27.525 372 HA PRO 55 HA PRO 55 -10.536 -18.230 -22.632 373 HB2 PRO 55 HB2 PRO 55 -13.012 -18.806 -23.718 374 HB3 PRO 55 HB1 PRO 55 -12.776 -17.694 -22.354 375 HG2 PRO 55 HG2 PRO 55 -13.154 -17.063 -25.256 376 HG3 PRO 55 HG1 PRO 55 -13.844 -16.259 -23.834 377 HD2 PRO 55 HD2 PRO 55 -11.723 -15.245 -25.178 378 HD3 PRO 55 HD1 PRO 55 -11.925 -15.033 -23.427 Start of MODEL 10 1 H1 ALA 9 HT1 ALA 9 3.035 -14.832 -25.399 2 H2 ALA 9 HT2 ALA 9 3.082 -15.425 -23.808 3 H3 ALA 9 HT3 ALA 9 3.763 -13.913 -24.176 4 HA ALA 9 HA ALA 9 1.710 -12.895 -24.466 5 HB1 ALA 9 HB1 ALA 9 0.850 -14.845 -25.856 6 HB2 ALA 9 HB2 ALA 9 -0.344 -14.093 -24.798 7 HB3 ALA 9 HB3 ALA 9 0.403 -15.624 -24.338 8 H ALA 10 HN ALA 10 0.437 -12.185 -22.732 9 HA ALA 10 HA ALA 10 1.241 -13.238 -20.134 10 HB1 ALA 10 HB1 ALA 10 -0.394 -10.821 -20.936 11 HB2 ALA 10 HB2 ALA 10 1.287 -10.835 -20.401 12 HB3 ALA 10 HB3 ALA 10 -0.002 -11.247 -19.270 13 H THR 11 HN THR 11 -0.600 -13.187 -18.419 14 HA THR 11 HA THR 11 -3.115 -14.271 -19.486 15 HB THR 11 HB THR 11 -3.007 -16.178 -17.923 16 HG1 THR 11 HG1 THR 11 -0.368 -16.109 -17.461 17 HG21 THR 11 HG21 THR 11 -1.425 -17.501 -19.172 18 HG22 THR 11 HG22 THR 11 -0.521 -16.063 -19.645 19 HG23 THR 11 HG23 THR 11 -2.140 -16.336 -20.287 20 H MET 12 HN MET 12 -4.880 -14.074 -18.081 21 HA MET 12 HA MET 12 -4.990 -11.831 -16.457 22 HB2 MET 12 HB2 MET 12 -6.687 -14.340 -16.333 23 HB3 MET 12 HB1 MET 12 -7.096 -12.807 -15.564 24 HG2 MET 12 HG2 MET 12 -6.620 -13.168 -18.536 25 HG3 MET 12 HG1 MET 12 -8.208 -13.085 -17.779 26 HE1 MET 12 HE1 MET 12 -8.801 -9.712 -16.607 27 HE2 MET 12 HE2 MET 12 -7.756 -10.572 -15.480 28 HE3 MET 12 HE3 MET 12 -8.996 -11.452 -16.367 29 H LYS 13 HN LYS 13 -4.151 -15.146 -15.640 30 HA LYS 13 HA LYS 13 -4.230 -14.866 -12.820 31 HB2 LYS 13 HB2 LYS 13 -2.753 -16.763 -14.647 32 HB3 LYS 13 HB1 LYS 13 -2.663 -16.869 -12.888 33 HG2 LYS 13 HG2 LYS 13 -5.115 -17.091 -12.768 34 HG3 LYS 13 HG1 LYS 13 -5.216 -16.977 -14.523 35 HD2 LYS 13 HD2 LYS 13 -3.853 -19.011 -14.751 36 HD3 LYS 13 HD1 LYS 13 -3.720 -19.124 -12.996 37 HE2 LYS 13 HE2 LYS 13 -6.172 -19.343 -12.820 38 HE3 LYS 13 HE1 LYS 13 -6.307 -19.233 -14.577 39 HZ1 LYS 13 HZ1 LYS 13 -5.051 -21.375 -12.968 40 HZ2 LYS 13 HZ2 LYS 13 -4.736 -21.194 -14.627 41 HZ3 LYS 13 HZ3 LYS 13 -6.317 -21.508 -14.088 42 H ASP 14 HN ASP 14 -1.617 -14.476 -15.200 43 HA ASP 14 HA ASP 14 0.466 -14.009 -13.385 44 HB2 ASP 14 HB2 ASP 14 0.781 -14.468 -15.805 45 HB3 ASP 14 HB1 ASP 14 0.143 -12.864 -16.163 46 H VAL 15 HN VAL 15 -1.952 -11.855 -14.789 47 HA VAL 15 HA VAL 15 -0.823 -9.410 -14.001 48 HB VAL 15 HB VAL 15 -3.707 -10.227 -14.411 49 HG11 VAL 15 HG11 VAL 15 -2.438 -7.526 -13.907 50 HG12 VAL 15 HG12 VAL 15 -3.774 -8.274 -13.034 51 HG13 VAL 15 HG13 VAL 15 -4.012 -7.704 -14.683 52 HG21 VAL 15 HG21 VAL 15 -3.449 -9.328 -16.599 53 HG22 VAL 15 HG22 VAL 15 -1.992 -10.286 -16.333 54 HG23 VAL 15 HG23 VAL 15 -1.932 -8.531 -16.178 55 H ALA 16 HN ALA 16 -3.005 -11.630 -12.318 56 HA ALA 16 HA ALA 16 -3.690 -10.117 -10.108 57 HB1 ALA 16 HB1 ALA 16 -2.963 -13.058 -10.072 58 HB2 ALA 16 HB2 ALA 16 -4.521 -12.419 -10.596 59 HB3 ALA 16 HB3 ALA 16 -4.003 -12.216 -8.923 60 H LEU 17 HN LEU 17 -0.774 -12.101 -10.571 61 HA LEU 17 HA LEU 17 0.374 -11.541 -8.041 62 HB2 LEU 17 HB2 LEU 17 1.469 -12.509 -10.670 63 HB3 LEU 17 HB1 LEU 17 2.553 -12.152 -9.332 64 HG LEU 17 HG LEU 17 0.134 -13.909 -8.909 65 HD11 LEU 17 HD11 LEU 17 1.808 -15.834 -9.245 66 HD12 LEU 17 HD12 LEU 17 2.813 -14.661 -10.094 67 HD13 LEU 17 HD13 LEU 17 1.205 -15.047 -10.701 68 HD21 LEU 17 HD21 LEU 17 1.801 -14.878 -7.204 69 HD22 LEU 17 HD22 LEU 17 1.216 -13.252 -6.877 70 HD23 LEU 17 HD23 LEU 17 2.820 -13.489 -7.565 71 H LYS 18 HN LYS 18 0.632 -9.957 -11.187 72 HA LYS 18 HA LYS 18 2.678 -8.135 -10.533 73 HB2 LYS 18 HB2 LYS 18 1.867 -8.583 -12.844 74 HB3 LYS 18 HB1 LYS 18 0.378 -7.718 -12.458 75 HG2 LYS 18 HG2 LYS 18 1.650 -5.677 -11.987 76 HG3 LYS 18 HG1 LYS 18 3.165 -6.529 -12.287 77 HD2 LYS 18 HD2 LYS 18 2.488 -6.949 -14.612 78 HD3 LYS 18 HD1 LYS 18 0.953 -6.131 -14.322 79 HE2 LYS 18 HE2 LYS 18 2.322 -4.475 -15.324 80 HE3 LYS 18 HE1 LYS 18 2.370 -4.102 -13.601 81 HZ1 LYS 18 HZ1 LYS 18 4.556 -4.253 -14.971 82 HZ2 LYS 18 HZ2 LYS 18 4.379 -5.924 -14.726 83 HZ3 LYS 18 HZ3 LYS 18 4.497 -4.875 -13.394 84 H ALA 19 HN ALA 19 -0.825 -8.009 -10.102 85 HA ALA 19 HA ALA 19 -0.585 -5.359 -8.828 86 HB1 ALA 19 HB1 ALA 19 -3.180 -5.622 -8.841 87 HB2 ALA 19 HB2 ALA 19 -2.871 -6.919 -9.998 88 HB3 ALA 19 HB3 ALA 19 -2.351 -5.274 -10.357 89 H LYS 20 HN LYS 20 0.008 -8.255 -7.794 90 HA LYS 20 HA LYS 20 -0.345 -9.492 -5.871 91 HB2 LYS 20 HB2 LYS 20 0.926 -7.335 -5.210 92 HB3 LYS 20 HB1 LYS 20 -0.609 -6.810 -4.515 93 HG2 LYS 20 HG2 LYS 20 -0.688 -8.804 -3.096 94 HG3 LYS 20 HG1 LYS 20 0.793 -9.417 -3.833 95 HD2 LYS 20 HD2 LYS 20 2.035 -7.465 -3.000 96 HD3 LYS 20 HD1 LYS 20 0.558 -6.827 -2.276 97 HE2 LYS 20 HE2 LYS 20 0.386 -8.827 -0.847 98 HE3 LYS 20 HE1 LYS 20 1.855 -9.479 -1.575 99 HZ1 LYS 20 HZ1 LYS 20 2.233 -8.329 0.562 100 HZ2 LYS 20 HZ2 LYS 20 1.707 -6.879 -0.150 101 HZ3 LYS 20 HZ3 LYS 20 3.108 -7.651 -0.723 102 H VAL 21 HN VAL 21 -2.695 -9.375 -7.226 103 HA VAL 21 HA VAL 21 -4.831 -8.362 -5.575 104 HB VAL 21 HB VAL 21 -4.796 -10.124 -8.028 105 HG11 VAL 21 HG11 VAL 21 -6.778 -10.773 -6.949 106 HG12 VAL 21 HG12 VAL 21 -7.316 -9.465 -7.998 107 HG13 VAL 21 HG13 VAL 21 -7.058 -9.166 -6.279 108 HG21 VAL 21 HG21 VAL 21 -4.164 -7.690 -8.234 109 HG22 VAL 21 HG22 VAL 21 -5.762 -7.280 -7.621 110 HG23 VAL 21 HG23 VAL 21 -5.601 -8.136 -9.154 111 H SER 22 HN SER 22 -4.670 -11.648 -6.849 112 HA SER 22 HA SER 22 -4.172 -13.170 -4.642 113 HB2 SER 22 HB2 SER 22 -5.776 -12.474 -3.171 114 HB3 SER 22 HB1 SER 22 -6.794 -11.824 -4.441 115 HG SER 22 HG SER 22 -6.515 -14.502 -3.585 116 H THR 23 HN THR 23 -4.340 -15.298 -5.138 117 HA THR 23 HA THR 23 -5.118 -15.996 -7.804 118 HB THR 23 HB THR 23 -4.572 -18.347 -6.990 119 HG1 THR 23 HG1 THR 23 -4.832 -18.273 -4.854 120 HG21 THR 23 HG21 THR 23 -2.622 -16.050 -6.785 121 HG22 THR 23 HG22 THR 23 -2.865 -17.155 -8.137 122 HG23 THR 23 HG23 THR 23 -2.108 -17.731 -6.652 123 H ALA 24 HN ALA 24 -6.704 -15.961 -4.744 124 HA ALA 24 HA ALA 24 -8.649 -17.992 -5.375 125 HB1 ALA 24 HB1 ALA 24 -8.720 -15.880 -3.207 126 HB2 ALA 24 HB2 ALA 24 -7.948 -17.457 -3.044 127 HB3 ALA 24 HB3 ALA 24 -9.692 -17.350 -3.278 128 H THR 25 HN THR 25 -8.872 -14.499 -4.855 129 HA THR 25 HA THR 25 -11.533 -14.182 -5.714 130 HB THR 25 HB THR 25 -10.244 -12.429 -4.518 131 HG1 THR 25 HG1 THR 25 -11.658 -11.143 -5.339 132 HG21 THR 25 HG21 THR 25 -8.185 -12.824 -6.022 133 HG22 THR 25 HG22 THR 25 -8.573 -11.157 -5.588 134 HG23 THR 25 HG23 THR 25 -8.994 -11.759 -7.178 135 H VAL 26 HN VAL 26 -8.559 -13.498 -7.585 136 HA VAL 26 HA VAL 26 -9.733 -12.981 -10.033 137 HB VAL 26 HB VAL 26 -7.281 -12.766 -9.409 138 HG11 VAL 26 HG11 VAL 26 -7.218 -15.213 -8.603 139 HG12 VAL 26 HG12 VAL 26 -5.854 -14.658 -9.571 140 HG13 VAL 26 HG13 VAL 26 -7.114 -15.647 -10.307 141 HG21 VAL 26 HG21 VAL 26 -7.895 -14.230 -11.997 142 HG22 VAL 26 HG22 VAL 26 -6.529 -13.154 -11.702 143 HG23 VAL 26 HG23 VAL 26 -8.171 -12.508 -11.732 144 H SER 27 HN SER 27 -9.080 -16.061 -8.473 145 HA SER 27 HA SER 27 -9.597 -17.684 -10.771 146 HB2 SER 27 HB2 SER 27 -9.406 -18.224 -7.821 147 HB3 SER 27 HB1 SER 27 -9.917 -19.481 -8.938 148 HG SER 27 HG SER 27 -7.952 -18.933 -10.137 149 H ARG 28 HN ARG 28 -11.556 -16.328 -8.190 150 HA ARG 28 HA ARG 28 -13.907 -17.866 -8.920 151 HB2 ARG 28 HB2 ARG 28 -13.456 -15.605 -6.965 152 HB3 ARG 28 HB1 ARG 28 -15.017 -16.388 -7.216 153 HG2 ARG 28 HG2 ARG 28 -14.090 -18.544 -6.559 154 HG3 ARG 28 HG1 ARG 28 -12.478 -17.841 -6.422 155 HD2 ARG 28 HD2 ARG 28 -13.470 -18.005 -4.201 156 HD3 ARG 28 HD1 ARG 28 -13.328 -16.309 -4.655 157 HE ARG 28 HE ARG 28 -15.879 -17.285 -5.414 158 HH11 ARG 28 HH21 ARG 28 -13.966 -16.454 -2.653 159 HH12 ARG 28 HH22 ARG 28 -15.324 -16.013 -1.673 160 HH21 ARG 28 HH11 ARG 28 -17.665 -16.710 -4.135 161 HH22 ARG 28 HH12 ARG 28 -17.418 -16.157 -2.511 162 H ALA 29 HN ALA 29 -12.436 -14.864 -9.768 163 HA ALA 29 HA ALA 29 -14.759 -13.471 -10.636 164 HB1 ALA 29 HB1 ALA 29 -12.486 -12.457 -10.169 165 HB2 ALA 29 HB2 ALA 29 -13.251 -11.930 -11.669 166 HB3 ALA 29 HB3 ALA 29 -11.958 -13.130 -11.712 167 H LEU 30 HN LEU 30 -12.958 -16.078 -11.947 168 HA LEU 30 HA LEU 30 -13.290 -15.729 -14.697 169 HB2 LEU 30 HB2 LEU 30 -13.299 -18.267 -13.045 170 HB3 LEU 30 HB1 LEU 30 -13.191 -18.231 -14.803 171 HG LEU 30 HG LEU 30 -11.256 -16.764 -12.991 172 HD11 LEU 30 HD11 LEU 30 -11.061 -19.174 -12.586 173 HD12 LEU 30 HD12 LEU 30 -9.678 -18.612 -13.524 174 HD13 LEU 30 HD13 LEU 30 -10.990 -19.478 -14.322 175 HD21 LEU 30 HD21 LEU 30 -9.906 -17.085 -15.246 176 HD22 LEU 30 HD22 LEU 30 -11.070 -15.776 -15.094 177 HD23 LEU 30 HD23 LEU 30 -11.512 -17.253 -15.948 178 H MET 31 HN MET 31 -15.510 -17.053 -12.282 179 HA MET 31 HA MET 31 -17.650 -17.002 -14.339 180 HB2 MET 31 HB2 MET 31 -18.638 -18.919 -13.382 181 HB3 MET 31 HB1 MET 31 -16.915 -19.296 -13.435 182 HG2 MET 31 HG2 MET 31 -17.390 -19.877 -11.238 183 HG3 MET 31 HG1 MET 31 -16.946 -18.187 -11.014 184 HE1 MET 31 HE1 MET 31 -21.080 -20.096 -11.116 185 HE2 MET 31 HE2 MET 31 -19.734 -20.792 -10.218 186 HE3 MET 31 HE3 MET 31 -19.609 -20.589 -11.964 187 H ASN 32 HN ASN 32 -16.516 -15.835 -11.345 188 HA ASN 32 HA ASN 32 -19.148 -14.580 -10.828 189 HB2 ASN 32 HB2 ASN 32 -18.612 -16.460 -9.224 190 HB3 ASN 32 HB1 ASN 32 -17.253 -15.488 -8.663 191 HD21 ASN 32 HD21 ASN 32 -19.417 -13.183 -9.508 192 HD22 ASN 32 HD22 ASN 32 -20.261 -13.009 -8.046 193 HA PRO 33 HA PRO 33 -15.779 -11.420 -11.023 194 HB2 PRO 33 HB2 PRO 33 -16.836 -9.876 -12.997 195 HB3 PRO 33 HB1 PRO 33 -15.852 -11.311 -13.330 196 HG2 PRO 33 HG2 PRO 33 -18.798 -10.960 -13.476 197 HG3 PRO 33 HG1 PRO 33 -17.725 -11.952 -14.478 198 HD2 PRO 33 HD2 PRO 33 -19.315 -12.912 -12.369 199 HD3 PRO 33 HD1 PRO 33 -17.931 -13.777 -13.074 200 H ASP 34 HN ASP 34 -17.477 -11.429 -8.949 201 HA ASP 34 HA ASP 34 -18.411 -8.637 -8.839 202 HB2 ASP 34 HB2 ASP 34 -20.031 -11.084 -8.128 203 HB3 ASP 34 HB1 ASP 34 -20.416 -9.475 -7.519 204 H LYS 35 HN LYS 35 -16.360 -10.807 -7.662 205 HA LYS 35 HA LYS 35 -16.730 -10.108 -4.827 206 HB2 LYS 35 HB2 LYS 35 -16.356 -12.530 -5.667 207 HB3 LYS 35 HB1 LYS 35 -14.681 -12.038 -5.901 208 HG2 LYS 35 HG2 LYS 35 -14.555 -12.780 -3.709 209 HG3 LYS 35 HG1 LYS 35 -14.974 -11.092 -3.422 210 HD2 LYS 35 HD2 LYS 35 -17.392 -11.759 -3.368 211 HD3 LYS 35 HD1 LYS 35 -16.887 -13.442 -3.492 212 HE2 LYS 35 HE2 LYS 35 -16.011 -11.543 -1.300 213 HE3 LYS 35 HE1 LYS 35 -17.299 -12.737 -1.136 214 HZ1 LYS 35 HZ1 LYS 35 -14.926 -13.349 -0.396 215 HZ2 LYS 35 HZ2 LYS 35 -14.623 -13.556 -2.056 216 HZ3 LYS 35 HZ3 LYS 35 -15.822 -14.482 -1.284 217 H VAL 36 HN VAL 36 -14.784 -9.448 -7.589 218 HA VAL 36 HA VAL 36 -12.395 -8.630 -6.306 219 HB VAL 36 HB VAL 36 -13.590 -7.709 -8.932 220 HG11 VAL 36 HG11 VAL 36 -11.134 -7.247 -9.433 221 HG12 VAL 36 HG12 VAL 36 -10.840 -7.442 -7.702 222 HG13 VAL 36 HG13 VAL 36 -11.893 -6.149 -8.278 223 HG21 VAL 36 HG21 VAL 36 -13.274 -10.098 -8.968 224 HG22 VAL 36 HG22 VAL 36 -11.702 -9.957 -8.180 225 HG23 VAL 36 HG23 VAL 36 -11.912 -9.388 -9.834 226 H SER 37 HN SER 37 -11.758 -6.690 -5.484 227 HA SER 37 HA SER 37 -13.676 -4.943 -4.401 228 HB2 SER 37 HB2 SER 37 -11.452 -5.159 -3.426 229 HB3 SER 37 HB1 SER 37 -10.719 -4.507 -4.889 230 HG SER 37 HG SER 37 -11.765 -2.561 -4.493 231 H GLN 38 HN GLN 38 -14.278 -2.838 -4.951 232 HA GLN 38 HA GLN 38 -14.902 -2.274 -7.560 233 HB2 GLN 38 HB2 GLN 38 -15.815 -1.032 -5.633 234 HB3 GLN 38 HB1 GLN 38 -14.250 -0.244 -5.409 235 HG2 GLN 38 HG2 GLN 38 -14.407 0.786 -7.614 236 HG3 GLN 38 HG1 GLN 38 -15.907 -0.079 -7.943 237 HE21 GLN 38 HE21 GLN 38 -15.831 2.770 -8.011 238 HE22 GLN 38 HE22 GLN 38 -16.742 3.365 -6.707 239 H ALA 39 HN ALA 39 -12.065 -1.060 -5.780 240 HA ALA 39 HA ALA 39 -10.917 0.333 -7.959 241 HB1 ALA 39 HB1 ALA 39 -8.863 0.336 -6.626 242 HB2 ALA 39 HB2 ALA 39 -9.517 -0.925 -5.582 243 HB3 ALA 39 HB3 ALA 39 -10.251 0.679 -5.595 244 H THR 40 HN THR 40 -10.097 -2.870 -6.595 245 HA THR 40 HA THR 40 -8.238 -3.569 -8.592 246 HB THR 40 HB THR 40 -9.967 -5.395 -6.905 247 HG1 THR 40 HG1 THR 40 -7.314 -4.895 -6.311 248 HG21 THR 40 HG21 THR 40 -7.389 -5.831 -8.437 249 HG22 THR 40 HG22 THR 40 -8.942 -6.608 -8.736 250 HG23 THR 40 HG23 THR 40 -8.046 -6.973 -7.263 251 H ARG 41 HN ARG 41 -11.684 -3.519 -8.576 252 HA ARG 41 HA ARG 41 -12.141 -5.464 -10.612 253 HB2 ARG 41 HB2 ARG 41 -13.899 -4.709 -9.036 254 HB3 ARG 41 HB1 ARG 41 -13.878 -3.123 -9.803 255 HG2 ARG 41 HG2 ARG 41 -14.522 -4.118 -11.946 256 HG3 ARG 41 HG1 ARG 41 -14.490 -5.727 -11.222 257 HD2 ARG 41 HD2 ARG 41 -16.265 -5.047 -9.645 258 HD3 ARG 41 HD1 ARG 41 -16.304 -3.448 -10.382 259 HE ARG 41 HE ARG 41 -17.505 -5.844 -11.430 260 HH11 ARG 41 HH21 ARG 41 -16.039 -2.806 -12.202 261 HH12 ARG 41 HH22 ARG 41 -16.858 -2.639 -13.720 262 HH21 ARG 41 HH11 ARG 41 -18.581 -5.634 -13.418 263 HH22 ARG 41 HH12 ARG 41 -18.297 -4.240 -14.409 264 H ASN 42 HN ASN 42 -11.695 -1.954 -10.607 265 HA ASN 42 HA ASN 42 -12.162 -1.644 -13.413 266 HB2 ASN 42 HB2 ASN 42 -12.385 0.183 -11.693 267 HB3 ASN 42 HB1 ASN 42 -10.625 0.211 -11.586 268 HD21 ASN 42 HD21 ASN 42 -10.579 2.417 -12.483 269 HD22 ASN 42 HD22 ASN 42 -10.865 2.684 -14.135 270 H ARG 43 HN ARG 43 -9.255 -1.931 -11.394 271 HA ARG 43 HA ARG 43 -7.341 -1.436 -13.363 272 HB2 ARG 43 HB2 ARG 43 -7.263 -3.151 -10.876 273 HB3 ARG 43 HB1 ARG 43 -5.846 -2.857 -11.884 274 HG2 ARG 43 HG2 ARG 43 -6.051 -0.448 -11.540 275 HG3 ARG 43 HG1 ARG 43 -7.536 -0.682 -10.617 276 HD2 ARG 43 HD2 ARG 43 -6.286 -1.991 -8.939 277 HD3 ARG 43 HD1 ARG 43 -4.803 -1.752 -9.857 278 HE ARG 43 HE ARG 43 -6.095 0.730 -9.174 279 HH11 ARG 43 HH21 ARG 43 -4.030 -1.824 -8.078 280 HH12 ARG 43 HH22 ARG 43 -3.211 -0.844 -6.907 281 HH21 ARG 43 HH11 ARG 43 -5.024 2.019 -7.641 282 HH22 ARG 43 HH12 ARG 43 -3.773 1.331 -6.661 283 H VAL 44 HN VAL 44 -8.663 -4.555 -12.256 284 HA VAL 44 HA VAL 44 -7.222 -6.174 -14.035 285 HB VAL 44 HB VAL 44 -8.960 -7.878 -13.584 286 HG11 VAL 44 HG11 VAL 44 -7.864 -6.209 -11.319 287 HG12 VAL 44 HG12 VAL 44 -7.292 -7.767 -11.911 288 HG13 VAL 44 HG13 VAL 44 -8.802 -7.668 -11.006 289 HG21 VAL 44 HG21 VAL 44 -10.976 -6.603 -13.595 290 HG22 VAL 44 HG22 VAL 44 -10.351 -5.488 -12.393 291 HG23 VAL 44 HG23 VAL 44 -10.770 -7.127 -11.925 292 H GLU 45 HN GLU 45 -10.425 -4.678 -14.339 293 HA GLU 45 HA GLU 45 -11.271 -5.770 -16.733 294 HB2 GLU 45 HB2 GLU 45 -12.568 -4.178 -15.284 295 HB3 GLU 45 HB1 GLU 45 -11.595 -2.863 -15.949 296 HG2 GLU 45 HG2 GLU 45 -13.614 -2.966 -17.250 297 HG3 GLU 45 HG1 GLU 45 -12.325 -3.622 -18.254 298 H LYS 46 HN LYS 46 -9.275 -2.839 -16.288 299 HA LYS 46 HA LYS 46 -8.844 -2.480 -19.100 300 HB2 LYS 46 HB2 LYS 46 -7.519 -1.315 -16.646 301 HB3 LYS 46 HB1 LYS 46 -7.067 -0.865 -18.290 302 HG2 LYS 46 HG2 LYS 46 -9.394 -0.166 -18.742 303 HG3 LYS 46 HG1 LYS 46 -9.846 -0.611 -17.096 304 HD2 LYS 46 HD2 LYS 46 -8.187 1.027 -16.225 305 HD3 LYS 46 HD1 LYS 46 -7.829 1.511 -17.883 306 HE2 LYS 46 HE2 LYS 46 -10.603 1.622 -16.671 307 HE3 LYS 46 HE1 LYS 46 -9.501 2.998 -16.715 308 HZ1 LYS 46 HZ1 LYS 46 -9.365 2.518 -19.198 309 HZ2 LYS 46 HZ2 LYS 46 -10.794 3.231 -18.616 310 HZ3 LYS 46 HZ3 LYS 46 -10.755 1.571 -18.977 311 H ALA 47 HN ALA 47 -7.038 -3.975 -16.462 312 HA ALA 47 HA ALA 47 -4.635 -4.426 -17.891 313 HB1 ALA 47 HB1 ALA 47 -3.970 -5.730 -16.067 314 HB2 ALA 47 HB2 ALA 47 -5.615 -6.264 -15.722 315 HB3 ALA 47 HB3 ALA 47 -5.127 -4.614 -15.343 316 H ALA 48 HN ALA 48 -7.722 -5.953 -17.976 317 HA ALA 48 HA ALA 48 -6.913 -8.527 -18.887 318 HB1 ALA 48 HB1 ALA 48 -9.200 -7.793 -17.944 319 HB2 ALA 48 HB2 ALA 48 -9.195 -8.933 -19.289 320 HB3 ALA 48 HB3 ALA 48 -9.540 -7.228 -19.579 321 H ARG 49 HN ARG 49 -7.860 -5.538 -20.539 322 HA ARG 49 HA ARG 49 -7.782 -6.590 -23.172 323 HB2 ARG 49 HB2 ARG 49 -8.907 -4.465 -22.579 324 HB3 ARG 49 HB1 ARG 49 -7.331 -3.738 -22.258 325 HG2 ARG 49 HG2 ARG 49 -6.649 -4.148 -24.587 326 HG3 ARG 49 HG1 ARG 49 -8.205 -4.911 -24.916 327 HD2 ARG 49 HD2 ARG 49 -8.271 -2.604 -25.690 328 HD3 ARG 49 HD1 ARG 49 -9.336 -2.778 -24.300 329 HE ARG 49 HE ARG 49 -7.891 -1.417 -23.067 330 HH11 ARG 49 HH21 ARG 49 -6.505 -2.374 -26.090 331 HH12 ARG 49 HH22 ARG 49 -5.173 -1.273 -25.986 332 HH21 ARG 49 HH11 ARG 49 -6.147 0.032 -22.924 333 HH22 ARG 49 HH12 ARG 49 -4.971 0.090 -24.194 334 H GLU 50 HN GLU 50 -5.363 -5.014 -21.126 335 HA GLU 50 HA GLU 50 -3.326 -4.665 -23.004 336 HB2 GLU 50 HB2 GLU 50 -3.229 -5.259 -20.045 337 HB3 GLU 50 HB1 GLU 50 -1.783 -4.915 -20.997 338 HG2 GLU 50 HG2 GLU 50 -2.707 -2.747 -21.664 339 HG3 GLU 50 HG1 GLU 50 -4.197 -3.089 -20.791 340 H VAL 51 HN VAL 51 -3.951 -7.464 -20.891 341 HA VAL 51 HA VAL 51 -1.841 -9.027 -22.065 342 HB VAL 51 HB VAL 51 -2.799 -10.872 -20.704 343 HG11 VAL 51 HG11 VAL 51 -1.273 -8.993 -19.799 344 HG12 VAL 51 HG12 VAL 51 -2.160 -9.951 -18.618 345 HG13 VAL 51 HG13 VAL 51 -2.731 -8.341 -19.054 346 HG21 VAL 51 HG21 VAL 51 -4.709 -10.289 -19.191 347 HG22 VAL 51 HG22 VAL 51 -5.165 -10.310 -20.895 348 HG23 VAL 51 HG23 VAL 51 -4.898 -8.777 -20.074 349 H GLY 52 HN GLY 52 -5.054 -8.294 -22.929 350 HA2 GLY 52 HA2 GLY 52 -6.499 -9.126 -24.517 351 HA3 GLY 52 HA1 GLY 52 -5.028 -9.539 -25.392 352 H TYR 53 HN TYR 53 -6.169 -10.826 -22.296 353 HA TYR 53 HA TYR 53 -5.657 -13.524 -23.079 354 HB2 TYR 53 HB2 TYR 53 -5.594 -12.601 -20.713 355 HB3 TYR 53 HB1 TYR 53 -7.357 -12.625 -20.751 356 HD1 TYR 53 HD1 TYR 53 -4.452 -14.861 -21.569 357 HD2 TYR 53 HD2 TYR 53 -8.435 -14.551 -19.994 358 HE1 TYR 53 HE1 TYR 53 -4.425 -17.280 -21.023 359 HE2 TYR 53 HE2 TYR 53 -8.408 -16.969 -19.447 360 HH TYR 53 HH TYR 53 -7.121 -19.046 -20.371 361 H LEU 54 HN LEU 54 -6.989 -15.042 -23.901 362 HA LEU 54 HA LEU 54 -9.843 -14.337 -24.255 363 HB2 LEU 54 HB2 LEU 54 -8.102 -15.803 -26.233 364 HB3 LEU 54 HB1 LEU 54 -9.800 -15.388 -26.438 365 HG LEU 54 HG LEU 54 -7.744 -13.247 -25.861 366 HD11 LEU 54 HD11 LEU 54 -7.736 -12.890 -28.376 367 HD12 LEU 54 HD12 LEU 54 -8.460 -14.492 -28.524 368 HD13 LEU 54 HD13 LEU 54 -6.856 -14.312 -27.813 369 HD21 LEU 54 HD21 LEU 54 -10.517 -13.365 -27.074 370 HD22 LEU 54 HD22 LEU 54 -9.479 -11.956 -27.251 371 HD23 LEU 54 HD23 LEU 54 -9.990 -12.472 -25.650 372 HA PRO 55 HA PRO 55 -9.634 -18.194 -21.737 373 HB2 PRO 55 HB2 PRO 55 -12.495 -17.353 -21.479 374 HB3 PRO 55 HB1 PRO 55 -11.366 -17.907 -20.229 375 HG2 PRO 55 HG2 PRO 55 -12.007 -15.336 -20.461 376 HG3 PRO 55 HG1 PRO 55 -10.362 -15.837 -20.035 377 HD2 PRO 55 HD2 PRO 55 -11.392 -14.791 -22.641 378 HD3 PRO 55 HD1 PRO 55 -9.789 -14.577 -21.904 Start of MODEL 11 1 H1 ALA 9 HT1 ALA 9 3.842 -13.692 -23.509 2 H2 ALA 9 HT2 ALA 9 3.558 -13.417 -25.162 3 H3 ALA 9 HT3 ALA 9 3.716 -15.004 -24.577 4 HA ALA 9 HA ALA 9 1.428 -13.224 -24.532 5 HB1 ALA 9 HB1 ALA 9 2.045 -16.148 -24.770 6 HB2 ALA 9 HB2 ALA 9 1.058 -15.126 -25.815 7 HB3 ALA 9 HB3 ALA 9 0.425 -15.670 -24.261 8 H ALA 10 HN ALA 10 0.689 -12.393 -22.684 9 HA ALA 10 HA ALA 10 1.475 -13.524 -20.120 10 HB1 ALA 10 HB1 ALA 10 0.757 -10.946 -21.062 11 HB2 ALA 10 HB2 ALA 10 1.233 -11.398 -19.426 12 HB3 ALA 10 HB3 ALA 10 -0.470 -11.408 -19.883 13 H THR 11 HN THR 11 -0.370 -13.537 -18.407 14 HA THR 11 HA THR 11 -2.853 -14.672 -19.512 15 HB THR 11 HB THR 11 -2.557 -16.366 -17.474 16 HG1 THR 11 HG1 THR 11 0.047 -16.528 -18.244 17 HG21 THR 11 HG21 THR 11 -2.907 -17.320 -19.574 18 HG22 THR 11 HG22 THR 11 -1.276 -17.872 -19.196 19 HG23 THR 11 HG23 THR 11 -1.514 -16.508 -20.290 20 H MET 12 HN MET 12 -4.655 -14.490 -18.157 21 HA MET 12 HA MET 12 -4.890 -12.208 -16.623 22 HB2 MET 12 HB2 MET 12 -6.457 -14.785 -16.625 23 HB3 MET 12 HB1 MET 12 -6.901 -13.435 -15.581 24 HG2 MET 12 HG2 MET 12 -6.390 -12.667 -18.389 25 HG3 MET 12 HG1 MET 12 -7.769 -13.742 -18.172 26 HE1 MET 12 HE1 MET 12 -10.332 -12.029 -16.269 27 HE2 MET 12 HE2 MET 12 -9.129 -12.833 -15.266 28 HE3 MET 12 HE3 MET 12 -9.570 -13.523 -16.826 29 H LYS 13 HN LYS 13 -3.942 -15.455 -15.615 30 HA LYS 13 HA LYS 13 -4.066 -14.990 -12.824 31 HB2 LYS 13 HB2 LYS 13 -3.602 -17.181 -14.405 32 HB3 LYS 13 HB1 LYS 13 -1.995 -16.886 -13.741 33 HG2 LYS 13 HG2 LYS 13 -3.120 -16.728 -11.448 34 HG3 LYS 13 HG1 LYS 13 -4.572 -17.363 -12.221 35 HD2 LYS 13 HD2 LYS 13 -1.892 -18.762 -12.388 36 HD3 LYS 13 HD1 LYS 13 -3.066 -19.097 -11.115 37 HE2 LYS 13 HE2 LYS 13 -4.764 -19.573 -12.924 38 HE3 LYS 13 HE1 LYS 13 -3.453 -19.457 -14.098 39 HZ1 LYS 13 HZ1 LYS 13 -2.487 -21.121 -12.163 40 HZ2 LYS 13 HZ2 LYS 13 -3.091 -21.592 -13.679 41 HZ3 LYS 13 HZ3 LYS 13 -4.109 -21.592 -12.319 42 H ASP 14 HN ASP 14 -1.434 -14.595 -15.197 43 HA ASP 14 HA ASP 14 0.615 -14.001 -13.378 44 HB2 ASP 14 HB2 ASP 14 0.120 -13.594 -16.266 45 HB3 ASP 14 HB1 ASP 14 1.234 -12.434 -15.549 46 H VAL 15 HN VAL 15 -1.872 -11.944 -14.840 47 HA VAL 15 HA VAL 15 -0.875 -9.473 -13.943 48 HB VAL 15 HB VAL 15 -3.710 -10.373 -14.499 49 HG11 VAL 15 HG11 VAL 15 -3.808 -8.393 -13.126 50 HG12 VAL 15 HG12 VAL 15 -4.092 -7.892 -14.791 51 HG13 VAL 15 HG13 VAL 15 -2.517 -7.625 -14.048 52 HG21 VAL 15 HG21 VAL 15 -1.540 -9.048 -16.140 53 HG22 VAL 15 HG22 VAL 15 -3.239 -9.000 -16.610 54 HG23 VAL 15 HG23 VAL 15 -2.402 -10.546 -16.488 55 H ALA 16 HN ALA 16 -3.064 -11.816 -12.435 56 HA ALA 16 HA ALA 16 -3.932 -10.365 -10.254 57 HB1 ALA 16 HB1 ALA 16 -4.022 -13.041 -11.036 58 HB2 ALA 16 HB2 ALA 16 -4.795 -12.348 -9.612 59 HB3 ALA 16 HB3 ALA 16 -3.197 -13.082 -9.478 60 H LEU 17 HN LEU 17 -0.890 -12.162 -10.607 61 HA LEU 17 HA LEU 17 0.105 -11.610 -8.010 62 HB2 LEU 17 HB2 LEU 17 1.038 -13.415 -9.344 63 HB3 LEU 17 HB1 LEU 17 1.541 -12.277 -10.590 64 HG LEU 17 HG LEU 17 2.978 -11.149 -8.797 65 HD11 LEU 17 HD11 LEU 17 2.303 -13.725 -7.345 66 HD12 LEU 17 HD12 LEU 17 1.880 -12.096 -6.818 67 HD13 LEU 17 HD13 LEU 17 3.569 -12.599 -6.862 68 HD21 LEU 17 HD21 LEU 17 4.789 -12.690 -9.124 69 HD22 LEU 17 HD22 LEU 17 3.783 -12.794 -10.568 70 HD23 LEU 17 HD23 LEU 17 3.681 -14.044 -9.329 71 H LYS 18 HN LYS 18 0.419 -9.944 -11.121 72 HA LYS 18 HA LYS 18 2.301 -7.998 -10.257 73 HB2 LYS 18 HB2 LYS 18 1.578 -8.661 -12.670 74 HB3 LYS 18 HB1 LYS 18 0.283 -7.487 -12.431 75 HG2 LYS 18 HG2 LYS 18 1.924 -5.733 -11.935 76 HG3 LYS 18 HG1 LYS 18 3.241 -6.896 -12.080 77 HD2 LYS 18 HD2 LYS 18 2.593 -7.304 -14.447 78 HD3 LYS 18 HD1 LYS 18 1.336 -6.075 -14.294 79 HE2 LYS 18 HE2 LYS 18 3.086 -4.403 -13.696 80 HE3 LYS 18 HE1 LYS 18 4.319 -5.637 -13.957 81 HZ1 LYS 18 HZ1 LYS 18 2.416 -5.283 -16.117 82 HZ2 LYS 18 HZ2 LYS 18 4.098 -5.518 -16.175 83 HZ3 LYS 18 HZ3 LYS 18 3.464 -3.975 -15.853 84 H ALA 19 HN ALA 19 -1.235 -8.102 -10.282 85 HA ALA 19 HA ALA 19 -1.335 -5.399 -9.118 86 HB1 ALA 19 HB1 ALA 19 -3.820 -5.673 -9.415 87 HB2 ALA 19 HB2 ALA 19 -3.495 -7.217 -10.205 88 HB3 ALA 19 HB3 ALA 19 -2.898 -5.718 -10.919 89 H LYS 20 HN LYS 20 -0.555 -8.107 -7.872 90 HA LYS 20 HA LYS 20 -1.035 -9.365 -5.959 91 HB2 LYS 20 HB2 LYS 20 -0.449 -6.575 -5.401 92 HB3 LYS 20 HB1 LYS 20 -1.461 -7.249 -4.129 93 HG2 LYS 20 HG2 LYS 20 0.114 -9.090 -3.792 94 HG3 LYS 20 HG1 LYS 20 1.102 -8.521 -5.139 95 HD2 LYS 20 HD2 LYS 20 1.379 -6.336 -3.904 96 HD3 LYS 20 HD1 LYS 20 0.584 -7.088 -2.522 97 HE2 LYS 20 HE2 LYS 20 2.506 -8.964 -3.171 98 HE3 LYS 20 HE1 LYS 20 3.332 -7.443 -3.511 99 HZ1 LYS 20 HZ1 LYS 20 3.168 -8.521 -1.087 100 HZ2 LYS 20 HZ2 LYS 20 1.793 -7.523 -1.053 101 HZ3 LYS 20 HZ3 LYS 20 3.326 -6.855 -1.358 102 H VAL 21 HN VAL 21 -3.343 -9.243 -7.464 103 HA VAL 21 HA VAL 21 -5.584 -8.247 -5.994 104 HB VAL 21 HB VAL 21 -5.447 -10.351 -8.172 105 HG11 VAL 21 HG11 VAL 21 -7.774 -8.724 -7.102 106 HG12 VAL 21 HG12 VAL 21 -7.535 -10.454 -6.883 107 HG13 VAL 21 HG13 VAL 21 -7.840 -9.807 -8.491 108 HG21 VAL 21 HG21 VAL 21 -6.513 -7.692 -8.835 109 HG22 VAL 21 HG22 VAL 21 -5.310 -8.658 -9.685 110 HG23 VAL 21 HG23 VAL 21 -4.823 -7.637 -8.336 111 H SER 22 HN SER 22 -5.266 -11.633 -6.924 112 HA SER 22 HA SER 22 -4.804 -12.893 -4.535 113 HB2 SER 22 HB2 SER 22 -6.551 -12.162 -3.259 114 HB3 SER 22 HB1 SER 22 -7.521 -11.724 -4.661 115 HG SER 22 HG SER 22 -7.801 -13.830 -3.163 116 H THR 23 HN THR 23 -4.593 -14.990 -4.976 117 HA THR 23 HA THR 23 -5.069 -16.028 -7.534 118 HB THR 23 HB THR 23 -4.907 -17.956 -5.276 119 HG1 THR 23 HG1 THR 23 -3.306 -17.002 -4.359 120 HG21 THR 23 HG21 THR 23 -3.157 -17.515 -7.712 121 HG22 THR 23 HG22 THR 23 -4.598 -18.531 -7.705 122 HG23 THR 23 HG23 THR 23 -3.218 -18.955 -6.695 123 H ALA 24 HN ALA 24 -7.110 -15.963 -4.688 124 HA ALA 24 HA ALA 24 -8.943 -17.979 -5.641 125 HB1 ALA 24 HB1 ALA 24 -9.476 -15.884 -3.536 126 HB2 ALA 24 HB2 ALA 24 -8.548 -17.348 -3.208 127 HB3 ALA 24 HB3 ALA 24 -10.236 -17.467 -3.706 128 H THR 25 HN THR 25 -8.912 -14.464 -5.422 129 HA THR 25 HA THR 25 -11.459 -13.894 -6.418 130 HB THR 25 HB THR 25 -10.366 -11.746 -7.277 131 HG1 THR 25 HG1 THR 25 -8.273 -13.092 -7.305 132 HG21 THR 25 HG21 THR 25 -11.375 -12.000 -5.015 133 HG22 THR 25 HG22 THR 25 -9.992 -10.907 -5.012 134 HG23 THR 25 HG23 THR 25 -9.813 -12.554 -4.406 135 H VAL 26 HN VAL 26 -8.413 -13.946 -8.287 136 HA VAL 26 HA VAL 26 -9.600 -13.705 -10.806 137 HB VAL 26 HB VAL 26 -7.030 -13.797 -9.838 138 HG11 VAL 26 HG11 VAL 26 -7.318 -16.185 -11.681 139 HG12 VAL 26 HG12 VAL 26 -7.144 -16.317 -9.931 140 HG13 VAL 26 HG13 VAL 26 -5.849 -15.607 -10.893 141 HG21 VAL 26 HG21 VAL 26 -8.151 -13.873 -12.642 142 HG22 VAL 26 HG22 VAL 26 -6.423 -13.680 -12.340 143 HG23 VAL 26 HG23 VAL 26 -7.565 -12.482 -11.732 144 H SER 27 HN SER 27 -9.048 -16.539 -8.794 145 HA SER 27 HA SER 27 -9.614 -18.470 -10.828 146 HB2 SER 27 HB2 SER 27 -9.249 -18.499 -7.883 147 HB3 SER 27 HB1 SER 27 -10.192 -19.818 -8.567 148 HG SER 27 HG SER 27 -8.454 -20.582 -9.469 149 H ARG 28 HN ARG 28 -11.520 -16.783 -8.393 150 HA ARG 28 HA ARG 28 -13.952 -18.225 -9.063 151 HB2 ARG 28 HB2 ARG 28 -13.475 -15.849 -7.243 152 HB3 ARG 28 HB1 ARG 28 -14.985 -16.752 -7.374 153 HG2 ARG 28 HG2 ARG 28 -14.059 -18.698 -6.427 154 HG3 ARG 28 HG1 ARG 28 -12.405 -18.183 -6.750 155 HD2 ARG 28 HD2 ARG 28 -12.774 -17.910 -4.394 156 HD3 ARG 28 HD1 ARG 28 -12.768 -16.298 -5.102 157 HE ARG 28 HE ARG 28 -15.058 -16.120 -4.630 158 HH11 ARG 28 HH21 ARG 28 -13.860 -19.327 -4.100 159 HH12 ARG 28 HH22 ARG 28 -15.254 -19.848 -3.214 160 HH21 ARG 28 HH11 ARG 28 -16.883 -16.801 -3.464 161 HH22 ARG 28 HH12 ARG 28 -16.964 -18.418 -2.854 162 H ALA 29 HN ALA 29 -12.278 -15.422 -10.082 163 HA ALA 29 HA ALA 29 -14.306 -13.710 -10.919 164 HB1 ALA 29 HB1 ALA 29 -11.907 -13.145 -10.976 165 HB2 ALA 29 HB2 ALA 29 -12.683 -12.837 -12.529 166 HB3 ALA 29 HB3 ALA 29 -11.682 -14.273 -12.313 167 H LEU 30 HN LEU 30 -13.480 -16.829 -12.077 168 HA LEU 30 HA LEU 30 -14.730 -16.448 -14.690 169 HB2 LEU 30 HB2 LEU 30 -13.494 -18.854 -13.333 170 HB3 LEU 30 HB1 LEU 30 -14.238 -18.910 -14.931 171 HG LEU 30 HG LEU 30 -12.422 -16.668 -14.839 172 HD11 LEU 30 HD11 LEU 30 -11.304 -17.949 -13.024 173 HD12 LEU 30 HD12 LEU 30 -10.303 -17.831 -14.470 174 HD13 LEU 30 HD13 LEU 30 -11.160 -19.329 -14.112 175 HD21 LEU 30 HD21 LEU 30 -13.230 -18.040 -16.821 176 HD22 LEU 30 HD22 LEU 30 -12.106 -19.299 -16.310 177 HD23 LEU 30 HD23 LEU 30 -11.495 -17.717 -16.794 178 H MET 31 HN MET 31 -15.733 -17.062 -11.554 179 HA MET 31 HA MET 31 -18.225 -18.362 -12.499 180 HB2 MET 31 HB2 MET 31 -16.908 -18.629 -9.785 181 HB3 MET 31 HB1 MET 31 -18.404 -19.410 -10.297 182 HG2 MET 31 HG2 MET 31 -17.189 -20.615 -12.062 183 HG3 MET 31 HG1 MET 31 -15.690 -19.818 -11.585 184 HE1 MET 31 HE1 MET 31 -16.823 -23.301 -11.448 185 HE2 MET 31 HE2 MET 31 -15.292 -23.515 -10.603 186 HE3 MET 31 HE3 MET 31 -15.391 -22.397 -11.960 187 H ASN 32 HN ASN 32 -16.764 -16.100 -10.216 188 HA ASN 32 HA ASN 32 -19.322 -14.635 -10.079 189 HB2 ASN 32 HB2 ASN 32 -17.688 -15.744 -7.853 190 HB3 ASN 32 HB1 ASN 32 -18.359 -14.131 -7.621 191 HD21 ASN 32 HD21 ASN 32 -20.840 -14.019 -8.272 192 HD22 ASN 32 HD22 ASN 32 -21.784 -15.334 -7.761 193 HA PRO 33 HA PRO 33 -15.764 -11.868 -11.123 194 HB2 PRO 33 HB2 PRO 33 -16.960 -10.574 -13.205 195 HB3 PRO 33 HB1 PRO 33 -16.127 -12.130 -13.390 196 HG2 PRO 33 HG2 PRO 33 -19.042 -11.557 -13.194 197 HG3 PRO 33 HG1 PRO 33 -18.187 -12.734 -14.206 198 HD2 PRO 33 HD2 PRO 33 -19.488 -13.387 -11.863 199 HD3 PRO 33 HD1 PRO 33 -18.140 -14.327 -12.538 200 H ASP 34 HN ASP 34 -17.193 -11.397 -8.896 201 HA ASP 34 HA ASP 34 -17.653 -8.529 -9.031 202 HB2 ASP 34 HB2 ASP 34 -19.858 -8.982 -7.648 203 HB3 ASP 34 HB1 ASP 34 -19.890 -8.982 -9.408 204 H LYS 35 HN LYS 35 -15.833 -10.567 -7.734 205 HA LYS 35 HA LYS 35 -16.328 -9.827 -4.906 206 HB2 LYS 35 HB2 LYS 35 -15.252 -12.273 -6.203 207 HB3 LYS 35 HB1 LYS 35 -14.442 -11.762 -4.722 208 HG2 LYS 35 HG2 LYS 35 -16.523 -11.799 -3.488 209 HG3 LYS 35 HG1 LYS 35 -17.446 -12.093 -4.963 210 HD2 LYS 35 HD2 LYS 35 -16.159 -14.242 -5.252 211 HD3 LYS 35 HD1 LYS 35 -15.438 -13.961 -3.669 212 HE2 LYS 35 HE2 LYS 35 -18.415 -13.816 -3.816 213 HE3 LYS 35 HE1 LYS 35 -17.684 -15.411 -3.983 214 HZ1 LYS 35 HZ1 LYS 35 -18.168 -14.830 -1.667 215 HZ2 LYS 35 HZ2 LYS 35 -17.106 -13.509 -1.780 216 HZ3 LYS 35 HZ3 LYS 35 -16.514 -15.095 -1.928 217 H VAL 36 HN VAL 36 -14.735 -8.652 -7.412 218 HA VAL 36 HA VAL 36 -12.131 -8.307 -6.115 219 HB VAL 36 HB VAL 36 -13.000 -7.129 -8.757 220 HG11 VAL 36 HG11 VAL 36 -10.926 -6.217 -8.239 221 HG12 VAL 36 HG12 VAL 36 -10.433 -7.667 -9.106 222 HG13 VAL 36 HG13 VAL 36 -10.396 -7.640 -7.345 223 HG21 VAL 36 HG21 VAL 36 -12.592 -9.955 -8.038 224 HG22 VAL 36 HG22 VAL 36 -11.535 -9.427 -9.349 225 HG23 VAL 36 HG23 VAL 36 -13.282 -9.260 -9.504 226 H SER 37 HN SER 37 -11.358 -6.340 -5.398 227 HA SER 37 HA SER 37 -13.173 -4.519 -4.283 228 HB2 SER 37 HB2 SER 37 -10.729 -4.872 -3.647 229 HB3 SER 37 HB1 SER 37 -10.323 -3.849 -5.023 230 HG SER 37 HG SER 37 -10.565 -2.715 -2.997 231 H GLN 38 HN GLN 38 -13.903 -2.493 -4.919 232 HA GLN 38 HA GLN 38 -14.541 -2.051 -7.561 233 HB2 GLN 38 HB2 GLN 38 -14.669 -0.518 -5.107 234 HB3 GLN 38 HB1 GLN 38 -14.218 0.535 -6.446 235 HG2 GLN 38 HG2 GLN 38 -16.155 -0.199 -7.735 236 HG3 GLN 38 HG1 GLN 38 -16.587 -1.360 -6.480 237 HE21 GLN 38 HE21 GLN 38 -17.048 1.866 -7.534 238 HE22 GLN 38 HE22 GLN 38 -17.797 2.458 -6.131 239 H ALA 39 HN ALA 39 -11.778 -0.653 -5.793 240 HA ALA 39 HA ALA 39 -10.694 0.766 -7.980 241 HB1 ALA 39 HB1 ALA 39 -9.976 1.171 -5.666 242 HB2 ALA 39 HB2 ALA 39 -8.590 0.754 -6.674 243 HB3 ALA 39 HB3 ALA 39 -9.284 -0.448 -5.587 244 H THR 40 HN THR 40 -9.755 -2.391 -6.625 245 HA THR 40 HA THR 40 -7.897 -3.053 -8.632 246 HB THR 40 HB THR 40 -9.541 -4.923 -6.917 247 HG1 THR 40 HG1 THR 40 -7.098 -4.549 -6.008 248 HG21 THR 40 HG21 THR 40 -8.296 -6.589 -7.787 249 HG22 THR 40 HG22 THR 40 -6.812 -5.715 -7.417 250 HG23 THR 40 HG23 THR 40 -7.634 -5.441 -8.953 251 H ARG 41 HN ARG 41 -11.364 -3.222 -8.540 252 HA ARG 41 HA ARG 41 -11.735 -5.174 -10.582 253 HB2 ARG 41 HB2 ARG 41 -13.525 -4.510 -9.005 254 HB3 ARG 41 HB1 ARG 41 -13.566 -2.910 -9.744 255 HG2 ARG 41 HG2 ARG 41 -14.166 -3.924 -11.917 256 HG3 ARG 41 HG1 ARG 41 -14.131 -5.525 -11.177 257 HD2 ARG 41 HD2 ARG 41 -15.945 -4.897 -9.661 258 HD3 ARG 41 HD1 ARG 41 -15.942 -3.256 -10.301 259 HE ARG 41 HE ARG 41 -16.326 -5.026 -12.450 260 HH11 ARG 41 HH21 ARG 41 -17.883 -3.963 -9.551 261 HH12 ARG 41 HH22 ARG 41 -19.487 -4.211 -10.157 262 HH21 ARG 41 HH11 ARG 41 -18.425 -5.351 -13.254 263 HH22 ARG 41 HH12 ARG 41 -19.794 -4.996 -12.255 264 H ASN 42 HN ASN 42 -11.552 -1.637 -10.586 265 HA ASN 42 HA ASN 42 -12.078 -1.299 -13.347 266 HB2 ASN 42 HB2 ASN 42 -11.514 0.368 -11.116 267 HB3 ASN 42 HB1 ASN 42 -10.315 0.761 -12.343 268 HD21 ASN 42 HD21 ASN 42 -11.628 2.891 -12.328 269 HD22 ASN 42 HD22 ASN 42 -12.983 2.973 -13.347 270 H ARG 43 HN ARG 43 -9.120 -1.879 -11.525 271 HA ARG 43 HA ARG 43 -7.322 -1.410 -13.688 272 HB2 ARG 43 HB2 ARG 43 -7.145 -2.694 -10.998 273 HB3 ARG 43 HB1 ARG 43 -5.894 -3.100 -12.170 274 HG2 ARG 43 HG2 ARG 43 -5.573 -0.598 -12.528 275 HG3 ARG 43 HG1 ARG 43 -6.623 -0.346 -11.134 276 HD2 ARG 43 HD2 ARG 43 -4.947 -2.091 -10.004 277 HD3 ARG 43 HD1 ARG 43 -3.859 -1.481 -11.249 278 HE ARG 43 HE ARG 43 -5.240 0.339 -9.353 279 HH11 ARG 43 HH21 ARG 43 -2.393 -0.811 -10.978 280 HH12 ARG 43 HH22 ARG 43 -1.367 0.423 -10.330 281 HH21 ARG 43 HH11 ARG 43 -3.884 1.950 -8.509 282 HH22 ARG 43 HH12 ARG 43 -2.207 1.979 -8.938 283 H VAL 44 HN VAL 44 -8.717 -4.394 -12.317 284 HA VAL 44 HA VAL 44 -7.493 -6.244 -13.979 285 HB VAL 44 HB VAL 44 -10.242 -6.231 -12.722 286 HG11 VAL 44 HG11 VAL 44 -10.509 -7.731 -14.543 287 HG12 VAL 44 HG12 VAL 44 -10.079 -8.763 -13.179 288 HG13 VAL 44 HG13 VAL 44 -8.863 -8.345 -14.386 289 HG21 VAL 44 HG21 VAL 44 -9.234 -7.628 -11.073 290 HG22 VAL 44 HG22 VAL 44 -8.076 -6.327 -11.348 291 HG23 VAL 44 HG23 VAL 44 -7.810 -7.912 -12.074 292 H GLU 45 HN GLU 45 -10.617 -4.589 -14.514 293 HA GLU 45 HA GLU 45 -11.273 -5.698 -16.959 294 HB2 GLU 45 HB2 GLU 45 -12.157 -3.493 -15.410 295 HB3 GLU 45 HB1 GLU 45 -11.856 -2.863 -17.028 296 HG2 GLU 45 HG2 GLU 45 -13.248 -4.694 -17.977 297 HG3 GLU 45 HG1 GLU 45 -13.587 -5.259 -16.341 298 H LYS 46 HN LYS 46 -9.257 -2.797 -16.395 299 HA LYS 46 HA LYS 46 -8.639 -2.443 -19.166 300 HB2 LYS 46 HB2 LYS 46 -8.508 -0.794 -17.076 301 HB3 LYS 46 HB1 LYS 46 -6.849 -1.384 -17.009 302 HG2 LYS 46 HG2 LYS 46 -6.459 -0.689 -19.316 303 HG3 LYS 46 HG1 LYS 46 -8.150 -0.220 -19.496 304 HD2 LYS 46 HD2 LYS 46 -7.493 1.247 -17.297 305 HD3 LYS 46 HD1 LYS 46 -5.930 1.196 -18.112 306 HE2 LYS 46 HE2 LYS 46 -7.227 1.881 -20.242 307 HE3 LYS 46 HE1 LYS 46 -8.544 2.300 -19.145 308 HZ1 LYS 46 HZ1 LYS 46 -5.960 3.580 -19.518 309 HZ2 LYS 46 HZ2 LYS 46 -6.522 3.485 -17.917 310 HZ3 LYS 46 HZ3 LYS 46 -7.458 4.259 -19.105 311 H ALA 47 HN ALA 47 -6.999 -3.988 -16.431 312 HA ALA 47 HA ALA 47 -4.543 -4.510 -17.715 313 HB1 ALA 47 HB1 ALA 47 -3.998 -5.777 -15.848 314 HB2 ALA 47 HB2 ALA 47 -5.644 -6.381 -15.648 315 HB3 ALA 47 HB3 ALA 47 -5.250 -4.721 -15.194 316 H ALA 48 HN ALA 48 -7.635 -6.083 -17.874 317 HA ALA 48 HA ALA 48 -6.756 -8.607 -18.851 318 HB1 ALA 48 HB1 ALA 48 -9.088 -7.876 -17.931 319 HB2 ALA 48 HB2 ALA 48 -9.014 -9.074 -19.223 320 HB3 ALA 48 HB3 ALA 48 -9.403 -7.395 -19.598 321 H ARG 49 HN ARG 49 -7.578 -5.544 -20.377 322 HA ARG 49 HA ARG 49 -7.467 -6.546 -23.063 323 HB2 ARG 49 HB2 ARG 49 -8.629 -4.405 -22.080 324 HB3 ARG 49 HB1 ARG 49 -7.058 -3.655 -22.356 325 HG2 ARG 49 HG2 ARG 49 -7.169 -4.499 -24.738 326 HG3 ARG 49 HG1 ARG 49 -8.827 -5.006 -24.417 327 HD2 ARG 49 HD2 ARG 49 -9.052 -2.496 -23.546 328 HD3 ARG 49 HD1 ARG 49 -7.703 -2.245 -24.650 329 HE ARG 49 HE ARG 49 -9.651 -3.713 -26.025 330 HH11 ARG 49 HH21 ARG 49 -9.196 -0.612 -24.559 331 HH12 ARG 49 HH22 ARG 49 -10.328 0.195 -25.594 332 HH21 ARG 49 HH11 ARG 49 -11.143 -2.666 -27.374 333 HH22 ARG 49 HH12 ARG 49 -11.431 -0.969 -27.187 334 H GLU 50 HN GLU 50 -5.225 -4.827 -20.927 335 HA GLU 50 HA GLU 50 -3.180 -4.273 -22.740 336 HB2 GLU 50 HB2 GLU 50 -3.498 -3.731 -20.161 337 HB3 GLU 50 HB1 GLU 50 -2.488 -5.162 -19.963 338 HG2 GLU 50 HG2 GLU 50 -0.748 -4.173 -21.363 339 HG3 GLU 50 HG1 GLU 50 -1.770 -2.774 -21.695 340 H VAL 51 HN VAL 51 -3.807 -7.203 -20.871 341 HA VAL 51 HA VAL 51 -1.459 -8.564 -21.870 342 HB VAL 51 HB VAL 51 -2.488 -10.590 -20.804 343 HG11 VAL 51 HG11 VAL 51 -1.047 -8.771 -19.638 344 HG12 VAL 51 HG12 VAL 51 -1.947 -9.895 -18.624 345 HG13 VAL 51 HG13 VAL 51 -2.560 -8.264 -18.885 346 HG21 VAL 51 HG21 VAL 51 -4.472 -10.046 -19.283 347 HG22 VAL 51 HG22 VAL 51 -4.832 -10.156 -21.003 348 HG23 VAL 51 HG23 VAL 51 -4.678 -8.579 -20.236 349 H GLY 52 HN GLY 52 -4.634 -7.997 -22.991 350 HA2 GLY 52 HA2 GLY 52 -5.703 -8.590 -24.939 351 HA3 GLY 52 HA1 GLY 52 -4.150 -9.189 -25.517 352 H TYR 53 HN TYR 53 -5.033 -10.545 -22.561 353 HA TYR 53 HA TYR 53 -5.358 -13.153 -23.710 354 HB2 TYR 53 HB2 TYR 53 -4.279 -12.792 -21.502 355 HB3 TYR 53 HB1 TYR 53 -5.829 -12.250 -20.856 356 HD1 TYR 53 HD1 TYR 53 -3.935 -15.138 -22.149 357 HD2 TYR 53 HD2 TYR 53 -7.662 -13.793 -20.496 358 HE1 TYR 53 HE1 TYR 53 -4.613 -17.491 -21.765 359 HE2 TYR 53 HE2 TYR 53 -8.341 -16.145 -20.109 360 HH TYR 53 HH TYR 53 -7.839 -18.286 -20.497 361 H LEU 54 HN LEU 54 -7.219 -14.486 -23.574 362 HA LEU 54 HA LEU 54 -9.770 -13.256 -22.885 363 HB2 LEU 54 HB2 LEU 54 -9.262 -14.396 -25.641 364 HB3 LEU 54 HB1 LEU 54 -10.818 -13.849 -25.034 365 HG LEU 54 HG LEU 54 -8.456 -11.970 -25.104 366 HD11 LEU 54 HD11 LEU 54 -10.428 -12.440 -27.349 367 HD12 LEU 54 HD12 LEU 54 -8.740 -12.949 -27.374 368 HD13 LEU 54 HD13 LEU 54 -9.145 -11.232 -27.323 369 HD21 LEU 54 HD21 LEU 54 -11.417 -11.438 -25.451 370 HD22 LEU 54 HD22 LEU 54 -10.151 -10.265 -25.100 371 HD23 LEU 54 HD23 LEU 54 -10.634 -11.433 -23.871 372 HA PRO 55 HA PRO 55 -10.400 -17.431 -21.549 373 HB2 PRO 55 HB2 PRO 55 -13.120 -17.467 -21.304 374 HB3 PRO 55 HB1 PRO 55 -12.059 -16.607 -20.170 375 HG2 PRO 55 HG2 PRO 55 -13.641 -15.531 -22.462 376 HG3 PRO 55 HG1 PRO 55 -13.411 -14.859 -20.836 377 HD2 PRO 55 HD2 PRO 55 -12.017 -13.957 -23.008 378 HD3 PRO 55 HD1 PRO 55 -11.348 -13.938 -21.360
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