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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
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650839 |
6scw ![]() ![]() |
34420 | cing | 1-original | 6 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H MET 1 0.390 0.859 0.325 2 HA MET 1 HA MET 1 2.864 -0.493 -0.426 3 HB2 MET 1 HB2 MET 1 0.752 0.961 -2.013 4 HB3 MET 1 HB3 MET 1 2.260 0.406 -2.728 5 HG2 MET 1 HG2 MET 1 1.284 -1.819 -1.404 6 HG3 MET 1 HG3 MET 1 -0.148 -1.064 -2.102 7 HE1 MET 1 HE1 MET 1 -0.172 -2.276 -5.560 8 HE2 MET 1 HE2 MET 1 -0.851 -2.723 -3.995 9 HE3 MET 1 HE3 MET 1 -0.778 -1.027 -4.473 10 H ASP 2 H ASP 2 1.624 2.688 -1.404 11 HA ASP 2 HA ASP 2 2.562 4.767 -1.371 12 HB2 ASP 2 HB2 ASP 2 4.804 3.756 0.358 13 HB3 ASP 2 HB3 ASP 2 4.085 5.363 0.311 14 H GLU 3 H GLU 3 5.406 2.631 -1.102 15 HA GLU 3 HA GLU 3 7.171 2.267 -2.492 16 HB2 GLU 3 HB2 GLU 3 5.125 1.965 -4.115 17 HB3 GLU 3 HB3 GLU 3 5.703 3.477 -4.801 18 HG2 GLU 3 HG2 GLU 3 8.006 2.084 -4.707 19 HG3 GLU 3 HG3 GLU 3 6.849 0.774 -4.937 20 H THR 4 H THR 4 8.154 4.014 -1.226 21 HA THR 4 HA THR 4 9.127 6.084 -0.940 22 HB THR 4 HB THR 4 10.742 4.893 -2.347 23 HG1 THR 4 HG1 THR 4 10.708 7.487 -3.427 24 HG21 THR 4 HG21 THR 4 9.102 6.045 -4.594 25 HG22 THR 4 HG22 THR 4 10.766 5.506 -4.816 26 HG23 THR 4 HG23 THR 4 9.528 4.359 -4.304 27 H GLY 5 H GLY 5 6.435 6.447 -1.540 28 HA2 GLY 5 HA2 GLY 5 6.551 8.879 -3.214 29 HA3 GLY 5 HA3 GLY 5 5.186 7.774 -3.271 30 H LYS 6 H LYS 6 7.062 9.573 -0.828 31 HA LYS 6 HA LYS 6 4.646 9.930 0.757 32 HB2 LYS 6 HB2 LYS 6 7.436 9.780 1.314 33 HB3 LYS 6 HB3 LYS 6 6.862 11.353 1.851 34 HG2 LYS 6 HG2 LYS 6 6.440 10.177 3.735 35 HG3 LYS 6 HG3 LYS 6 4.926 9.855 2.887 36 HD2 LYS 6 HD2 LYS 6 5.351 7.675 2.935 37 HD3 LYS 6 HD3 LYS 6 6.850 7.937 2.042 38 HE2 LYS 6 HE2 LYS 6 7.547 6.881 4.000 39 HE3 LYS 6 HE3 LYS 6 7.853 8.589 4.313 40 HZ1 LYS 6 HZ1 LYS 6 6.788 7.456 6.191 41 HZ2 LYS 6 HZ2 LYS 6 5.831 8.714 5.586 42 HZ3 LYS 6 HZ3 LYS 6 5.445 7.107 5.222 43 H GLU 7 H GLU 7 3.518 11.779 0.925 44 HA GLU 7 HA GLU 7 4.500 14.366 0.533 45 HB2 GLU 7 HB2 GLU 7 3.991 12.971 -1.906 46 HB3 GLU 7 HB3 GLU 7 2.788 14.242 -1.734 47 HG2 GLU 7 HG2 GLU 7 4.259 15.817 -2.245 48 HG3 GLU 7 HG3 GLU 7 5.423 15.207 -1.071 49 H LEU 8 H LEU 8 2.701 15.993 0.319 50 HA LEU 8 HA LEU 8 0.134 14.932 1.275 51 HB2 LEU 8 HB2 LEU 8 2.019 16.478 2.769 52 HB3 LEU 8 HB3 LEU 8 0.555 17.428 2.523 53 HG LEU 8 HG LEU 8 -0.780 15.809 3.650 54 HD11 LEU 8 HD11 LEU 8 0.329 13.756 4.624 55 HD12 LEU 8 HD12 LEU 8 0.073 13.750 2.879 56 HD13 LEU 8 HD13 LEU 8 1.677 14.080 3.533 57 HD21 LEU 8 HD21 LEU 8 -0.132 16.703 5.573 58 HD22 LEU 8 HD22 LEU 8 1.191 15.541 5.667 59 HD23 LEU 8 HD23 LEU 8 1.440 17.097 4.876 60 H VAL 9 H VAL 9 -1.688 16.243 0.840 61 HA VAL 9 HA VAL 9 -1.302 18.611 -0.817 62 HB VAL 9 HB VAL 9 -2.753 17.840 -2.597 63 HG11 VAL 9 HG11 VAL 9 -0.392 17.444 -2.900 64 HG12 VAL 9 HG12 VAL 9 -0.501 15.920 -2.019 65 HG13 VAL 9 HG13 VAL 9 -1.301 16.095 -3.581 66 HG21 VAL 9 HG21 VAL 9 -4.216 16.357 -1.418 67 HG22 VAL 9 HG22 VAL 9 -3.421 15.436 -2.694 68 HG23 VAL 9 HG23 VAL 9 -2.882 15.273 -1.023 69 H LEU 10 H LEU 10 -3.463 19.638 -1.343 70 HA LEU 10 HA LEU 10 -5.318 19.244 0.913 71 HB2 LEU 10 HB2 LEU 10 -4.240 21.708 -0.369 72 HB3 LEU 10 HB3 LEU 10 -5.862 21.746 0.319 73 HG LEU 10 HG LEU 10 -4.057 22.611 1.817 74 HD11 LEU 10 HD11 LEU 10 -6.287 21.585 2.540 75 HD12 LEU 10 HD12 LEU 10 -5.337 20.174 3.006 76 HD13 LEU 10 HD13 LEU 10 -5.019 21.739 3.756 77 HD21 LEU 10 HD21 LEU 10 -3.257 19.717 2.057 78 HD22 LEU 10 HD22 LEU 10 -2.366 20.907 1.107 79 HD23 LEU 10 HD23 LEU 10 -2.523 21.109 2.852 80 H ALA 11 H ALA 11 -7.505 19.265 0.513 81 HA ALA 11 HA ALA 11 -8.353 18.478 -2.075 82 HB1 ALA 11 HB1 ALA 11 -9.752 19.074 0.498 83 HB2 ALA 11 HB2 ALA 11 -10.682 18.838 -0.982 84 HB3 ALA 11 HB3 ALA 11 -9.630 17.554 -0.387 85 H LEU 12 H LEU 12 -8.410 19.847 -3.738 86 HA LEU 12 HA LEU 12 -8.896 22.664 -3.377 87 HB2 LEU 12 HB2 LEU 12 -7.323 21.603 -5.069 88 HB3 LEU 12 HB3 LEU 12 -8.765 21.181 -5.989 89 HG LEU 12 HG LEU 12 -8.247 24.029 -5.227 90 HD11 LEU 12 HD11 LEU 12 -6.186 23.480 -6.236 91 HD12 LEU 12 HD12 LEU 12 -6.966 22.488 -7.468 92 HD13 LEU 12 HD13 LEU 12 -7.156 24.241 -7.497 93 HD21 LEU 12 HD21 LEU 12 -9.291 23.704 -7.822 94 HD22 LEU 12 HD22 LEU 12 -10.166 22.583 -6.778 95 HD23 LEU 12 HD23 LEU 12 -10.120 24.302 -6.384 96 H TYR 13 H TYR 13 -10.724 19.857 -4.298 97 HA TYR 13 HA TYR 13 -13.129 21.520 -4.452 98 HB2 TYR 13 HB2 TYR 13 -12.620 21.209 -6.760 99 HB3 TYR 13 HB3 TYR 13 -12.249 19.506 -6.520 100 HD1 TYR 13 HD1 TYR 13 -13.788 18.150 -7.562 101 HD2 TYR 13 HD2 TYR 13 -15.158 21.691 -5.642 102 HE1 TYR 13 HE1 TYR 13 -16.105 17.559 -8.139 103 HE2 TYR 13 HE2 TYR 13 -17.479 21.110 -6.213 104 HH TYR 13 HH TYR 13 -18.577 19.617 -8.155 105 H ASP 14 H ASP 14 -14.863 20.659 -3.455 106 HA ASP 14 HA ASP 14 -14.559 18.469 -1.723 107 HB2 ASP 14 HB2 ASP 14 -17.140 19.700 -2.711 108 HB3 ASP 14 HB3 ASP 14 -16.941 18.717 -1.263 109 H TYR 15 H TYR 15 -14.054 16.539 -2.624 110 HA TYR 15 HA TYR 15 -15.772 15.517 -4.776 111 HB2 TYR 15 HB2 TYR 15 -13.028 15.505 -4.532 112 HB3 TYR 15 HB3 TYR 15 -13.464 13.879 -4.018 113 HD1 TYR 15 HD1 TYR 15 -14.820 12.436 -5.580 114 HD2 TYR 15 HD2 TYR 15 -13.059 16.107 -6.813 115 HE1 TYR 15 HE1 TYR 15 -15.045 11.747 -7.931 116 HE2 TYR 15 HE2 TYR 15 -13.281 15.430 -9.167 117 HH TYR 15 HH TYR 15 -14.646 12.271 -10.049 118 H GLN 16 H GLN 16 -17.222 13.983 -4.376 119 HA GLN 16 HA GLN 16 -17.259 12.752 -1.724 120 HB2 GLN 16 HB2 GLN 16 -19.267 13.621 -3.611 121 HB3 GLN 16 HB3 GLN 16 -19.532 11.943 -3.157 122 HG2 GLN 16 HG2 GLN 16 -20.581 12.715 -1.367 123 HG3 GLN 16 HG3 GLN 16 -18.997 13.189 -0.755 124 HE21 GLN 16 HE21 GLN 16 -19.676 14.981 0.336 125 HE22 GLN 16 HE22 GLN 16 -20.289 16.396 -0.442 126 H GLU 17 H GLU 17 -16.616 12.006 -5.017 127 HA GLU 17 HA GLU 17 -15.917 10.108 -6.057 128 HB2 GLU 17 HB2 GLU 17 -15.720 8.894 -3.299 129 HB3 GLU 17 HB3 GLU 17 -14.887 8.366 -4.754 130 HG2 GLU 17 HG2 GLU 17 -14.462 11.004 -3.370 131 HG3 GLU 17 HG3 GLU 17 -13.422 9.589 -3.217 132 H LYS 18 H LYS 18 -16.347 7.405 -5.448 133 HA LYS 18 HA LYS 18 -18.996 6.796 -4.718 134 HB2 LYS 18 HB2 LYS 18 -18.623 7.750 -7.434 135 HB3 LYS 18 HB3 LYS 18 -19.261 6.111 -7.412 136 HG2 LYS 18 HG2 LYS 18 -21.279 6.823 -6.837 137 HG3 LYS 18 HG3 LYS 18 -20.632 7.777 -5.500 138 HD2 LYS 18 HD2 LYS 18 -20.533 9.690 -6.735 139 HD3 LYS 18 HD3 LYS 18 -20.230 8.828 -8.245 140 HE2 LYS 18 HE2 LYS 18 -22.612 8.051 -8.169 141 HE3 LYS 18 HE3 LYS 18 -22.857 9.134 -6.800 142 HZ1 LYS 18 HZ1 LYS 18 -23.521 10.411 -8.578 143 HZ2 LYS 18 HZ2 LYS 18 -21.912 10.902 -8.401 144 HZ3 LYS 18 HZ3 LYS 18 -22.333 9.804 -9.618 145 H SER 19 H SER 19 -16.175 5.970 -6.642 146 HA SER 19 HA SER 19 -16.734 3.122 -6.432 147 HB2 SER 19 HB2 SER 19 -15.137 4.799 -8.155 148 HB3 SER 19 HB3 SER 19 -14.150 3.499 -7.486 149 HG SER 19 HG SER 19 -16.695 2.999 -8.603 150 HA PRO 20 HA PRO 20 -14.220 2.264 -2.942 151 HB2 PRO 20 HB2 PRO 20 -13.063 -0.092 -3.635 152 HB3 PRO 20 HB3 PRO 20 -14.774 0.050 -3.214 153 HG2 PRO 20 HG2 PRO 20 -13.492 -0.074 -5.917 154 HG3 PRO 20 HG3 PRO 20 -14.954 -0.889 -5.334 155 HD2 PRO 20 HD2 PRO 20 -15.042 1.351 -6.852 156 HD3 PRO 20 HD3 PRO 20 -16.265 0.986 -5.618 157 H ARG 21 H ARG 21 -12.710 2.410 -6.079 158 HA ARG 21 HA ARG 21 -10.031 2.517 -4.940 159 HB2 ARG 21 HB2 ARG 21 -9.237 2.522 -7.217 160 HB3 ARG 21 HB3 ARG 21 -10.465 1.274 -7.050 161 HG2 ARG 21 HG2 ARG 21 -11.493 3.878 -7.910 162 HG3 ARG 21 HG3 ARG 21 -10.376 3.112 -9.042 163 HD2 ARG 21 HD2 ARG 21 -12.934 1.977 -7.929 164 HD3 ARG 21 HD3 ARG 21 -12.592 2.415 -9.602 165 HE ARG 21 HE ARG 21 -10.722 0.538 -9.057 166 HH11 ARG 21 HH11 ARG 21 -14.184 0.640 -8.712 167 HH12 ARG 21 HH12 ARG 21 -14.390 -1.063 -8.955 168 HH21 ARG 21 HH21 ARG 21 -10.979 -1.706 -9.378 169 HH22 ARG 21 HH22 ARG 21 -12.566 -2.397 -9.332 170 H GLU 22 H GLU 22 -12.253 4.627 -4.675 171 HA GLU 22 HA GLU 22 -10.695 6.921 -5.668 172 HB2 GLU 22 HB2 GLU 22 -13.639 6.522 -5.243 173 HB3 GLU 22 HB3 GLU 22 -12.952 8.140 -5.231 174 HG2 GLU 22 HG2 GLU 22 -12.043 7.743 -7.484 175 HG3 GLU 22 HG3 GLU 22 -12.818 6.160 -7.493 176 H VAL 23 H VAL 23 -10.763 8.872 -4.297 177 HA VAL 23 HA VAL 23 -10.907 8.189 -1.432 178 HB VAL 23 HB VAL 23 -8.811 9.728 -2.929 179 HG11 VAL 23 HG11 VAL 23 -8.943 11.315 -1.340 180 HG12 VAL 23 HG12 VAL 23 -9.856 10.283 -0.239 181 HG13 VAL 23 HG13 VAL 23 -8.103 10.126 -0.346 182 HG21 VAL 23 HG21 VAL 23 -7.424 8.086 -2.288 183 HG22 VAL 23 HG22 VAL 23 -8.094 8.026 -0.657 184 HG23 VAL 23 HG23 VAL 23 -8.900 7.173 -1.973 185 H THR 24 H THR 24 -12.571 9.232 -0.567 186 HA THR 24 HA THR 24 -13.686 11.605 -1.702 187 HB THR 24 HB THR 24 -14.251 10.311 0.973 188 HG1 THR 24 HG1 THR 24 -16.221 9.740 -0.433 189 HG21 THR 24 HG21 THR 24 -16.440 11.772 -0.189 190 HG22 THR 24 HG22 THR 24 -15.686 11.964 1.394 191 HG23 THR 24 HG23 THR 24 -15.036 12.823 -0.003 192 H MET 25 H MET 25 -13.054 13.630 -1.385 193 HA MET 25 HA MET 25 -11.693 14.310 1.134 194 HB2 MET 25 HB2 MET 25 -10.082 15.645 0.002 195 HB3 MET 25 HB3 MET 25 -10.106 14.089 -0.816 196 HG2 MET 25 HG2 MET 25 -11.970 15.957 -2.000 197 HG3 MET 25 HG3 MET 25 -10.323 16.583 -1.985 198 HE1 MET 25 HE1 MET 25 -8.677 15.052 -4.817 199 HE2 MET 25 HE2 MET 25 -9.799 16.413 -4.796 200 HE3 MET 25 HE3 MET 25 -8.686 16.167 -3.450 201 H LYS 26 H LYS 26 -11.942 16.482 1.841 202 HA LYS 26 HA LYS 26 -14.281 17.830 0.661 203 HB2 LYS 26 HB2 LYS 26 -13.390 17.445 3.489 204 HB3 LYS 26 HB3 LYS 26 -14.302 18.891 3.078 205 HG2 LYS 26 HG2 LYS 26 -15.542 16.524 1.984 206 HG3 LYS 26 HG3 LYS 26 -15.325 16.397 3.731 207 HD2 LYS 26 HD2 LYS 26 -16.647 18.261 4.157 208 HD3 LYS 26 HD3 LYS 26 -16.456 18.891 2.519 209 HE2 LYS 26 HE2 LYS 26 -17.887 16.309 3.075 210 HE3 LYS 26 HE3 LYS 26 -18.714 17.864 3.142 211 HZ1 LYS 26 HZ1 LYS 26 -17.863 16.341 0.859 212 HZ2 LYS 26 HZ2 LYS 26 -19.034 17.556 0.971 213 HZ3 LYS 26 HZ3 LYS 26 -17.405 17.967 0.776 214 H LYS 27 H LYS 27 -13.995 19.801 -0.149 215 HA LYS 27 HA LYS 27 -11.641 21.027 -0.657 216 HB2 LYS 27 HB2 LYS 27 -13.931 21.716 -1.469 217 HB3 LYS 27 HB3 LYS 27 -14.134 22.580 0.049 218 HG2 LYS 27 HG2 LYS 27 -12.148 23.938 -0.494 219 HG3 LYS 27 HG3 LYS 27 -12.041 23.111 -2.050 220 HD2 LYS 27 HD2 LYS 27 -13.196 25.058 -2.572 221 HD3 LYS 27 HD3 LYS 27 -14.491 23.877 -2.361 222 HE2 LYS 27 HE2 LYS 27 -15.278 25.671 -1.141 223 HE3 LYS 27 HE3 LYS 27 -14.484 24.706 0.103 224 HZ1 LYS 27 HZ1 LYS 27 -12.594 26.131 0.037 225 HZ2 LYS 27 HZ2 LYS 27 -13.188 26.975 -1.304 226 HZ3 LYS 27 HZ3 LYS 27 -13.963 27.114 0.194 227 H GLY 28 H GLY 28 -10.046 21.294 0.795 228 HA2 GLY 28 HA2 GLY 28 -9.092 22.901 2.334 229 HA3 GLY 28 HA3 GLY 28 -10.651 22.974 3.142 230 H ASP 29 H ASP 29 -9.185 19.967 2.123 231 HA ASP 29 HA ASP 29 -8.573 19.349 4.936 232 HB2 ASP 29 HB2 ASP 29 -9.804 17.447 4.922 233 HB3 ASP 29 HB3 ASP 29 -10.676 18.251 3.619 234 H ILE 30 H ILE 30 -6.998 17.603 5.221 235 HA ILE 30 HA ILE 30 -5.014 17.627 3.049 236 HB ILE 30 HB ILE 30 -4.787 17.949 5.912 237 HG12 ILE 30 HG12 ILE 30 -3.810 19.289 3.927 238 HG13 ILE 30 HG13 ILE 30 -2.799 19.054 5.349 239 HG21 ILE 30 HG21 ILE 30 -2.774 16.532 6.208 240 HG22 ILE 30 HG22 ILE 30 -4.258 15.604 5.988 241 HG23 ILE 30 HG23 ILE 30 -3.120 15.778 4.651 242 HD11 ILE 30 HD11 ILE 30 -1.826 18.701 2.966 243 HD12 ILE 30 HD12 ILE 30 -1.392 17.599 4.272 244 HD13 ILE 30 HD13 ILE 30 -2.610 17.126 3.088 245 H LEU 31 H LEU 31 -4.098 15.742 2.316 246 HA LEU 31 HA LEU 31 -5.112 13.224 3.443 247 HB2 LEU 31 HB2 LEU 31 -4.839 12.665 0.774 248 HB3 LEU 31 HB3 LEU 31 -6.357 12.966 1.617 249 HG LEU 31 HG LEU 31 -4.850 15.260 0.435 250 HD11 LEU 31 HD11 LEU 31 -5.655 14.923 -1.709 251 HD12 LEU 31 HD12 LEU 31 -5.143 13.305 -1.230 252 HD13 LEU 31 HD13 LEU 31 -6.852 13.739 -1.185 253 HD21 LEU 31 HD21 LEU 31 -7.432 15.749 -0.004 254 HD22 LEU 31 HD22 LEU 31 -7.596 14.649 1.365 255 HD23 LEU 31 HD23 LEU 31 -6.643 16.124 1.528 256 H THR 32 H THR 32 -3.810 11.333 2.852 257 HA THR 32 HA THR 32 -0.972 12.054 2.717 258 HB THR 32 HB THR 32 -1.971 9.294 3.345 259 HG1 THR 32 HG1 THR 32 -3.088 10.477 4.834 260 HG21 THR 32 HG21 THR 32 0.353 10.731 4.581 261 HG22 THR 32 HG22 THR 32 0.092 8.998 4.384 262 HG23 THR 32 HG23 THR 32 0.498 9.992 2.986 263 H LEU 33 H LEU 33 -0.093 11.980 0.759 264 HA LEU 33 HA LEU 33 -1.205 10.604 -1.442 265 HB2 LEU 33 HB2 LEU 33 1.303 12.092 -0.897 266 HB3 LEU 33 HB3 LEU 33 1.283 11.018 -2.295 267 HG LEU 33 HG LEU 33 0.757 13.451 -2.734 268 HD11 LEU 33 HD11 LEU 33 -0.021 11.242 -4.016 269 HD12 LEU 33 HD12 LEU 33 -1.605 11.899 -3.603 270 HD13 LEU 33 HD13 LEU 33 -0.468 12.864 -4.544 271 HD21 LEU 33 HD21 LEU 33 -1.588 14.124 -2.291 272 HD22 LEU 33 HD22 LEU 33 -1.779 12.682 -1.294 273 HD23 LEU 33 HD23 LEU 33 -0.626 13.932 -0.826 274 H LEU 34 H LEU 34 -0.594 8.720 -2.478 275 HA LEU 34 HA LEU 34 1.180 6.940 -0.939 276 HB2 LEU 34 HB2 LEU 34 -1.512 6.559 -2.022 277 HB3 LEU 34 HB3 LEU 34 -0.390 5.258 -2.417 278 HG LEU 34 HG LEU 34 -0.439 6.070 0.415 279 HD11 LEU 34 HD11 LEU 34 -2.689 6.135 0.491 280 HD12 LEU 34 HD12 LEU 34 -2.875 5.256 -1.027 281 HD13 LEU 34 HD13 LEU 34 -2.531 4.378 0.463 282 HD21 LEU 34 HD21 LEU 34 -0.578 3.519 0.579 283 HD22 LEU 34 HD22 LEU 34 -0.323 3.522 -1.166 284 HD23 LEU 34 HD23 LEU 34 0.894 4.218 -0.096 285 H ASN 35 H ASN 35 -0.238 7.207 -4.206 286 HA ASN 35 HA ASN 35 2.158 6.030 -5.353 287 HB2 ASN 35 HB2 ASN 35 -0.017 5.304 -6.201 288 HB3 ASN 35 HB3 ASN 35 -0.412 6.960 -6.652 289 HD21 ASN 35 HD21 ASN 35 2.620 5.192 -7.032 290 HD22 ASN 35 HD22 ASN 35 2.669 5.295 -8.756 291 H SER 36 H SER 36 0.213 8.851 -6.333 292 HA SER 36 HA SER 36 0.800 10.943 -7.014 293 HB2 SER 36 HB2 SER 36 2.839 10.228 -5.079 294 HB3 SER 36 HB3 SER 36 3.494 11.276 -6.337 295 HG SER 36 HG SER 36 1.858 12.766 -5.878 296 H THR 37 H THR 37 1.531 8.352 -8.474 297 HA THR 37 HA THR 37 3.645 9.364 -10.235 298 HB THR 37 HB THR 37 2.367 6.623 -10.144 299 HG1 THR 37 HG1 THR 37 3.781 7.282 -8.340 300 HG21 THR 37 HG21 THR 37 4.176 5.943 -11.631 301 HG22 THR 37 HG22 THR 37 3.218 7.224 -12.374 302 HG23 THR 37 HG23 THR 37 4.789 7.596 -11.666 303 H ASN 38 H ASN 38 0.255 8.480 -10.190 304 HA ASN 38 HA ASN 38 0.014 9.035 -13.053 305 HB2 ASN 38 HB2 ASN 38 -1.107 7.028 -12.380 306 HB3 ASN 38 HB3 ASN 38 -1.904 7.850 -11.042 307 HD21 ASN 38 HD21 ASN 38 -1.497 8.779 -14.432 308 HD22 ASN 38 HD22 ASN 38 -3.185 8.906 -14.779 309 H LYS 39 H LYS 39 0.032 11.206 -13.328 310 HA LYS 39 HA LYS 39 -0.881 13.186 -11.667 311 HB2 LYS 39 HB2 LYS 39 0.365 13.757 -13.629 312 HB3 LYS 39 HB3 LYS 39 -0.861 13.065 -14.683 313 HG2 LYS 39 HG2 LYS 39 -2.432 14.816 -13.980 314 HG3 LYS 39 HG3 LYS 39 -1.170 15.522 -12.968 315 HD2 LYS 39 HD2 LYS 39 0.077 16.226 -14.792 316 HD3 LYS 39 HD3 LYS 39 -0.675 15.059 -15.883 317 HE2 LYS 39 HE2 LYS 39 -2.775 16.648 -14.984 318 HE3 LYS 39 HE3 LYS 39 -1.449 17.776 -15.258 319 HZ1 LYS 39 HZ1 LYS 39 -3.107 16.557 -17.155 320 HZ2 LYS 39 HZ2 LYS 39 -1.841 17.650 -17.418 321 HZ3 LYS 39 HZ3 LYS 39 -1.534 15.986 -17.406 322 H ASP 40 H ASP 40 -2.743 11.559 -14.228 323 HA ASP 40 HA ASP 40 -5.135 12.888 -14.012 324 HB2 ASP 40 HB2 ASP 40 -4.986 9.894 -14.346 325 HB3 ASP 40 HB3 ASP 40 -6.173 11.006 -15.023 326 H TRP 41 H TRP 41 -4.020 10.140 -12.065 327 HA TRP 41 HA TRP 41 -5.895 10.942 -9.968 328 HB2 TRP 41 HB2 TRP 41 -5.774 8.231 -11.269 329 HB3 TRP 41 HB3 TRP 41 -6.355 8.426 -9.617 330 HD1 TRP 41 HD1 TRP 41 -7.329 9.114 -13.237 331 HE1 TRP 41 HE1 TRP 41 -9.813 9.785 -13.316 332 HE3 TRP 41 HE3 TRP 41 -8.214 9.544 -8.220 333 HZ2 TRP 41 HZ2 TRP 41 -11.874 10.414 -11.493 334 HZ3 TRP 41 HZ3 TRP 41 -10.468 10.185 -7.471 335 HH2 TRP 41 HH2 TRP 41 -12.259 10.611 -9.075 336 H TRP 42 H TRP 42 -4.742 11.238 -8.189 337 HA TRP 42 HA TRP 42 -2.234 9.766 -7.845 338 HB2 TRP 42 HB2 TRP 42 -3.332 12.296 -6.641 339 HB3 TRP 42 HB3 TRP 42 -1.960 11.462 -5.917 340 HD1 TRP 42 HD1 TRP 42 -0.750 10.664 -8.918 341 HE1 TRP 42 HE1 TRP 42 0.545 12.508 -10.162 342 HE3 TRP 42 HE3 TRP 42 -2.552 14.746 -6.422 343 HZ2 TRP 42 HZ2 TRP 42 0.772 15.320 -10.094 344 HZ3 TRP 42 HZ3 TRP 42 -1.744 16.977 -7.073 345 HH2 TRP 42 HH2 TRP 42 -0.116 17.256 -8.871 346 H LYS 43 H LYS 43 -2.514 7.875 -6.843 347 HA LYS 43 HA LYS 43 -4.619 7.196 -5.136 348 HB2 LYS 43 HB2 LYS 43 -3.279 5.498 -6.229 349 HB3 LYS 43 HB3 LYS 43 -1.843 6.019 -5.357 350 HG2 LYS 43 HG2 LYS 43 -3.461 5.471 -3.285 351 HG3 LYS 43 HG3 LYS 43 -4.089 4.330 -4.477 352 HD2 LYS 43 HD2 LYS 43 -1.170 4.414 -4.358 353 HD3 LYS 43 HD3 LYS 43 -1.925 3.906 -2.845 354 HE2 LYS 43 HE2 LYS 43 -2.227 1.882 -3.706 355 HE3 LYS 43 HE3 LYS 43 -3.287 2.581 -4.930 356 HZ1 LYS 43 HZ1 LYS 43 -1.512 1.346 -5.965 357 HZ2 LYS 43 HZ2 LYS 43 -1.324 2.992 -6.308 358 HZ3 LYS 43 HZ3 LYS 43 -0.343 2.253 -5.145 359 H VAL 44 H VAL 44 -5.022 7.571 -3.051 360 HA VAL 44 HA VAL 44 -2.826 8.289 -1.256 361 HB VAL 44 HB VAL 44 -3.955 10.214 -0.362 362 HG11 VAL 44 HG11 VAL 44 -3.351 11.668 -1.997 363 HG12 VAL 44 HG12 VAL 44 -2.676 10.201 -2.705 364 HG13 VAL 44 HG13 VAL 44 -4.242 10.803 -3.249 365 HG21 VAL 44 HG21 VAL 44 -6.254 9.471 -0.607 366 HG22 VAL 44 HG22 VAL 44 -6.047 11.063 -1.337 367 HG23 VAL 44 HG23 VAL 44 -6.139 9.629 -2.360 368 H GLU 45 H GLU 45 -3.685 8.478 1.063 369 HA GLU 45 HA GLU 45 -5.775 6.445 1.492 370 HB2 GLU 45 HB2 GLU 45 -3.727 5.408 2.091 371 HB3 GLU 45 HB3 GLU 45 -3.157 6.846 2.927 372 HG2 GLU 45 HG2 GLU 45 -4.733 6.525 4.695 373 HG3 GLU 45 HG3 GLU 45 -5.512 5.206 3.823 374 H VAL 46 H VAL 46 -7.449 7.074 2.685 375 HA VAL 46 HA VAL 46 -7.108 9.195 4.670 376 HB VAL 46 HB VAL 46 -9.302 10.210 3.858 377 HG11 VAL 46 HG11 VAL 46 -6.830 10.999 3.479 378 HG12 VAL 46 HG12 VAL 46 -7.186 10.608 1.796 379 HG13 VAL 46 HG13 VAL 46 -8.166 11.800 2.651 380 HG21 VAL 46 HG21 VAL 46 -8.567 8.963 1.226 381 HG22 VAL 46 HG22 VAL 46 -9.728 8.214 2.321 382 HG23 VAL 46 HG23 VAL 46 -10.044 9.821 1.666 383 H ASN 47 H ASN 47 -8.196 8.800 6.497 384 HA ASN 47 HA ASN 47 -9.311 7.496 8.026 385 HB2 ASN 47 HB2 ASN 47 -11.831 7.310 7.288 386 HB3 ASN 47 HB3 ASN 47 -11.130 8.879 7.673 387 HD21 ASN 47 HD21 ASN 47 -12.201 6.764 5.124 388 HD22 ASN 47 HD22 ASN 47 -12.296 7.971 3.892 389 H ASP 48 H ASP 48 -7.895 5.654 7.199 390 HA ASP 48 HA ASP 48 -7.611 3.513 6.419 391 HB2 ASP 48 HB2 ASP 48 -9.331 3.587 8.539 392 HB3 ASP 48 HB3 ASP 48 -10.278 2.687 7.357 393 H ARG 49 H ARG 49 -8.713 5.236 4.436 394 HA ARG 49 HA ARG 49 -9.993 3.222 2.761 395 HB2 ARG 49 HB2 ARG 49 -11.363 5.533 3.853 396 HB3 ARG 49 HB3 ARG 49 -11.354 5.570 2.095 397 HG2 ARG 49 HG2 ARG 49 -12.207 3.146 3.647 398 HG3 ARG 49 HG3 ARG 49 -13.325 4.439 3.207 399 HD2 ARG 49 HD2 ARG 49 -11.838 3.737 0.893 400 HD3 ARG 49 HD3 ARG 49 -12.425 2.248 1.632 401 HE ARG 49 HE ARG 49 -14.422 4.309 1.375 402 HH11 ARG 49 HH11 ARG 49 -12.858 1.603 -0.159 403 HH12 ARG 49 HH12 ARG 49 -14.181 1.278 -1.229 404 HH21 ARG 49 HH21 ARG 49 -16.170 3.892 -0.030 405 HH22 ARG 49 HH22 ARG 49 -16.064 2.582 -1.156 406 H GLN 50 H GLN 50 -7.958 3.209 1.701 407 HA GLN 50 HA GLN 50 -7.122 5.662 0.364 408 HB2 GLN 50 HB2 GLN 50 -5.071 4.610 -0.060 409 HB3 GLN 50 HB3 GLN 50 -5.529 4.020 1.532 410 HG2 GLN 50 HG2 GLN 50 -5.129 1.989 0.738 411 HG3 GLN 50 HG3 GLN 50 -6.637 2.160 -0.157 412 HE21 GLN 50 HE21 GLN 50 -3.165 2.758 -0.360 413 HE22 GLN 50 HE22 GLN 50 -3.046 2.541 -2.070 414 H GLY 51 H GLY 51 -6.894 5.843 -1.890 415 HA2 GLY 51 HA2 GLY 51 -7.711 3.746 -3.662 416 HA3 GLY 51 HA3 GLY 51 -8.962 4.965 -3.464 417 H PHE 52 H PHE 52 -8.907 6.662 -4.782 418 HA PHE 52 HA PHE 52 -6.350 7.517 -5.919 419 HB2 PHE 52 HB2 PHE 52 -8.790 6.724 -7.508 420 HB3 PHE 52 HB3 PHE 52 -7.507 7.729 -8.173 421 HD1 PHE 52 HD1 PHE 52 -8.692 4.632 -8.436 422 HD2 PHE 52 HD2 PHE 52 -5.071 6.550 -7.284 423 HE1 PHE 52 HE1 PHE 52 -7.430 2.608 -9.043 424 HE2 PHE 52 HE2 PHE 52 -3.804 4.531 -7.890 425 HZ PHE 52 HZ PHE 52 -4.983 2.556 -8.771 426 H VAL 53 H VAL 53 -6.132 9.651 -5.813 427 HA VAL 53 HA VAL 53 -8.556 11.281 -5.430 428 HB VAL 53 HB VAL 53 -6.363 11.126 -3.794 429 HG11 VAL 53 HG11 VAL 53 -5.083 13.147 -4.016 430 HG12 VAL 53 HG12 VAL 53 -5.007 12.263 -5.540 431 HG13 VAL 53 HG13 VAL 53 -6.062 13.668 -5.387 432 HG21 VAL 53 HG21 VAL 53 -8.788 12.406 -3.837 433 HG22 VAL 53 HG22 VAL 53 -7.622 12.465 -2.515 434 HG23 VAL 53 HG23 VAL 53 -7.648 13.747 -3.726 435 HA PRO 54 HA PRO 54 -7.742 13.204 -9.321 436 HB2 PRO 54 HB2 PRO 54 -9.302 15.400 -8.987 437 HB3 PRO 54 HB3 PRO 54 -9.963 13.793 -9.312 438 HG2 PRO 54 HG2 PRO 54 -9.702 15.243 -6.706 439 HG3 PRO 54 HG3 PRO 54 -11.064 14.290 -7.324 440 HD2 PRO 54 HD2 PRO 54 -9.293 13.305 -5.528 441 HD3 PRO 54 HD3 PRO 54 -10.086 12.284 -6.745 442 H ALA 55 H ALA 55 -5.853 14.154 -9.743 443 HA ALA 55 HA ALA 55 -4.446 15.824 -7.977 444 HB1 ALA 55 HB1 ALA 55 -3.411 14.498 -9.793 445 HB2 ALA 55 HB2 ALA 55 -4.089 15.628 -10.964 446 HB3 ALA 55 HB3 ALA 55 -2.899 16.185 -9.788 447 H ALA 56 H ALA 56 -6.089 16.670 -11.032 448 HA ALA 56 HA ALA 56 -5.748 19.387 -11.014 449 HB1 ALA 56 HB1 ALA 56 -8.234 17.910 -11.871 450 HB2 ALA 56 HB2 ALA 56 -7.782 19.545 -12.354 451 HB3 ALA 56 HB3 ALA 56 -6.795 18.172 -12.855 452 H TYR 57 H TYR 57 -7.998 17.482 -9.112 453 HA TYR 57 HA TYR 57 -9.202 19.899 -7.994 454 HB2 TYR 57 HB2 TYR 57 -9.881 16.969 -7.728 455 HB3 TYR 57 HB3 TYR 57 -10.683 18.228 -6.795 456 HD1 TYR 57 HD1 TYR 57 -11.022 16.227 -9.580 457 HD2 TYR 57 HD2 TYR 57 -11.475 20.289 -8.397 458 HE1 TYR 57 HE1 TYR 57 -12.599 16.585 -11.433 459 HE2 TYR 57 HE2 TYR 57 -13.054 20.658 -10.246 460 HH TYR 57 HH TYR 57 -13.361 19.316 -12.698 461 H VAL 58 H VAL 58 -6.503 19.534 -7.377 462 HA VAL 58 HA VAL 58 -6.677 19.348 -4.476 463 HB VAL 58 HB VAL 58 -5.809 17.132 -5.762 464 HG11 VAL 58 HG11 VAL 58 -3.474 17.012 -5.914 465 HG12 VAL 58 HG12 VAL 58 -3.885 18.561 -6.650 466 HG13 VAL 58 HG13 VAL 58 -3.250 18.507 -5.005 467 HG21 VAL 58 HG21 VAL 58 -6.274 17.504 -3.325 468 HG22 VAL 58 HG22 VAL 58 -4.924 16.421 -3.665 469 HG23 VAL 58 HG23 VAL 58 -4.617 18.084 -3.164 470 H LYS 59 H LYS 59 -4.504 19.996 -3.480 471 HA LYS 59 HA LYS 59 -2.828 21.685 -5.117 472 HB2 LYS 59 HB2 LYS 59 -5.062 22.801 -3.724 473 HB3 LYS 59 HB3 LYS 59 -3.585 23.367 -2.955 474 HG2 LYS 59 HG2 LYS 59 -2.795 24.321 -4.979 475 HG3 LYS 59 HG3 LYS 59 -4.067 23.535 -5.918 476 HD2 LYS 59 HD2 LYS 59 -5.745 24.864 -4.662 477 HD3 LYS 59 HD3 LYS 59 -4.422 25.708 -3.853 478 HE2 LYS 59 HE2 LYS 59 -4.103 27.054 -5.601 479 HE3 LYS 59 HE3 LYS 59 -4.087 25.699 -6.729 480 HZ1 LYS 59 HZ1 LYS 59 -6.046 26.405 -7.445 481 HZ2 LYS 59 HZ2 LYS 59 -6.715 26.011 -5.942 482 HZ3 LYS 59 HZ3 LYS 59 -6.147 27.578 -6.231 483 H LYS 60 H LYS 60 -0.866 21.131 -4.458 484 HA LYS 60 HA LYS 60 -0.296 19.917 -1.978 485 HB2 LYS 60 HB2 LYS 60 1.017 19.970 -4.276 486 HB3 LYS 60 HB3 LYS 60 1.849 21.318 -3.512 487 HG2 LYS 60 HG2 LYS 60 1.633 18.534 -2.384 488 HG3 LYS 60 HG3 LYS 60 3.041 19.206 -3.210 489 HD2 LYS 60 HD2 LYS 60 2.683 21.097 -1.346 490 HD3 LYS 60 HD3 LYS 60 2.010 19.713 -0.482 491 HE2 LYS 60 HE2 LYS 60 4.264 19.693 0.110 492 HE3 LYS 60 HE3 LYS 60 4.160 18.493 -1.177 493 HZ1 LYS 60 HZ1 LYS 60 5.220 19.871 -2.668 494 HZ2 LYS 60 HZ2 LYS 60 4.841 21.285 -1.820 495 HZ3 LYS 60 HZ3 LYS 60 6.035 20.240 -1.232 496 H LEU 61 H LEU 61 -1.016 21.209 -0.292 497 HA LEU 61 HA LEU 61 0.516 23.691 0.127 498 HB2 LEU 61 HB2 LEU 61 -2.218 23.120 1.243 499 HB3 LEU 61 HB3 LEU 61 -1.339 24.648 1.273 500 HG LEU 61 HG LEU 61 -2.145 23.425 -1.338 501 HD11 LEU 61 HD11 LEU 61 -4.304 23.629 -0.879 502 HD12 LEU 61 HD12 LEU 61 -3.950 24.274 0.724 503 HD13 LEU 61 HD13 LEU 61 -4.054 25.361 -0.661 504 HD21 LEU 61 HD21 LEU 61 -2.015 25.655 -2.133 505 HD22 LEU 61 HD22 LEU 61 -1.930 26.307 -0.496 506 HD23 LEU 61 HD23 LEU 61 -0.576 25.386 -1.150 507 H ASP 62 H ASP 62 1.848 21.634 0.960 508 HA ASP 62 HA ASP 62 1.709 21.820 3.849 509 HB2 ASP 62 HB2 ASP 62 0.425 19.689 2.692 510 HB3 ASP 62 HB3 ASP 62 2.027 19.025 3.002 Start of MODEL 2 1 H1 MET 1 H MET 1 1.808 -0.000 0.855 2 HA MET 1 HA MET 1 2.743 -0.862 -1.230 3 HB2 MET 1 HB2 MET 1 0.307 0.548 -2.283 4 HB3 MET 1 HB3 MET 1 1.681 0.216 -3.329 5 HG2 MET 1 HG2 MET 1 1.171 -2.197 -2.053 6 HG3 MET 1 HG3 MET 1 -0.420 -1.539 -2.428 7 HE1 MET 1 HE1 MET 1 0.552 -4.402 -4.374 8 HE2 MET 1 HE2 MET 1 2.180 -3.932 -4.863 9 HE3 MET 1 HE3 MET 1 1.714 -3.861 -3.163 10 H ASP 2 H ASP 2 1.331 2.349 -1.802 11 HA ASP 2 HA ASP 2 2.259 4.433 -1.861 12 HB2 ASP 2 HB2 ASP 2 4.834 3.389 -0.727 13 HB3 ASP 2 HB3 ASP 2 4.076 4.961 -0.495 14 H GLU 3 H GLU 3 5.092 2.315 -2.316 15 HA GLU 3 HA GLU 3 6.591 2.131 -4.017 16 HB2 GLU 3 HB2 GLU 3 4.179 1.684 -5.123 17 HB3 GLU 3 HB3 GLU 3 4.668 3.089 -6.060 18 HG2 GLU 3 HG2 GLU 3 6.761 1.077 -5.825 19 HG3 GLU 3 HG3 GLU 3 5.301 0.486 -6.617 20 H THR 4 H THR 4 6.458 4.626 -2.636 21 HA THR 4 HA THR 4 7.890 6.260 -4.537 22 HB THR 4 HB THR 4 5.350 7.297 -3.267 23 HG1 THR 4 HG1 THR 4 6.128 6.603 -5.887 24 HG21 THR 4 HG21 THR 4 6.326 9.206 -5.032 25 HG22 THR 4 HG22 THR 4 6.353 9.295 -3.271 26 HG23 THR 4 HG23 THR 4 7.752 8.669 -4.144 27 H GLY 5 H GLY 5 6.195 7.128 -1.535 28 HA2 GLY 5 HA2 GLY 5 8.161 6.740 0.331 29 HA3 GLY 5 HA3 GLY 5 8.584 8.267 -0.430 30 H LYS 6 H LYS 6 7.117 10.039 -0.263 31 HA LYS 6 HA LYS 6 4.806 9.823 1.440 32 HB2 LYS 6 HB2 LYS 6 5.722 11.566 3.054 33 HB3 LYS 6 HB3 LYS 6 6.350 9.932 3.223 34 HG2 LYS 6 HG2 LYS 6 7.919 11.607 1.420 35 HG3 LYS 6 HG3 LYS 6 7.853 12.206 3.079 36 HD2 LYS 6 HD2 LYS 6 8.324 9.629 3.589 37 HD3 LYS 6 HD3 LYS 6 9.071 9.730 1.993 38 HE2 LYS 6 HE2 LYS 6 10.718 10.169 3.716 39 HE3 LYS 6 HE3 LYS 6 10.428 11.627 2.768 40 HZ1 LYS 6 HZ1 LYS 6 10.280 11.368 5.509 41 HZ2 LYS 6 HZ2 LYS 6 9.807 12.704 4.586 42 HZ3 LYS 6 HZ3 LYS 6 8.675 11.515 4.993 43 H GLU 7 H GLU 7 3.593 11.813 1.565 44 HA GLU 7 HA GLU 7 4.326 14.223 0.371 45 HB2 GLU 7 HB2 GLU 7 3.582 12.151 -1.512 46 HB3 GLU 7 HB3 GLU 7 2.488 13.523 -1.615 47 HG2 GLU 7 HG2 GLU 7 5.166 14.486 -1.465 48 HG3 GLU 7 HG3 GLU 7 5.063 13.253 -2.721 49 H LEU 8 H LEU 8 2.610 15.754 0.310 50 HA LEU 8 HA LEU 8 0.034 14.834 1.371 51 HB2 LEU 8 HB2 LEU 8 2.013 16.329 2.800 52 HB3 LEU 8 HB3 LEU 8 0.580 17.329 2.565 53 HG LEU 8 HG LEU 8 -0.790 15.785 3.751 54 HD11 LEU 8 HD11 LEU 8 -0.044 13.681 2.996 55 HD12 LEU 8 HD12 LEU 8 1.589 13.954 3.603 56 HD13 LEU 8 HD13 LEU 8 0.258 13.703 4.733 57 HD21 LEU 8 HD21 LEU 8 0.252 17.166 5.301 58 HD22 LEU 8 HD22 LEU 8 0.578 15.550 5.927 59 HD23 LEU 8 HD23 LEU 8 1.832 16.425 5.049 60 H VAL 9 H VAL 9 -1.737 16.174 0.895 61 HA VAL 9 HA VAL 9 -1.289 18.527 -0.764 62 HB VAL 9 HB VAL 9 -2.738 17.781 -2.559 63 HG11 VAL 9 HG11 VAL 9 -0.510 15.838 -1.965 64 HG12 VAL 9 HG12 VAL 9 -1.296 16.021 -3.533 65 HG13 VAL 9 HG13 VAL 9 -0.380 17.361 -2.844 66 HG21 VAL 9 HG21 VAL 9 -2.927 15.232 -0.966 67 HG22 VAL 9 HG22 VAL 9 -4.238 16.314 -1.434 68 HG23 VAL 9 HG23 VAL 9 -3.402 15.360 -2.659 69 H LEU 10 H LEU 10 -3.434 19.582 -1.326 70 HA LEU 10 HA LEU 10 -5.316 19.229 0.914 71 HB2 LEU 10 HB2 LEU 10 -4.186 21.668 -0.371 72 HB3 LEU 10 HB3 LEU 10 -5.818 21.736 0.292 73 HG LEU 10 HG LEU 10 -4.023 22.585 1.810 74 HD11 LEU 10 HD11 LEU 10 -5.035 21.752 3.737 75 HD12 LEU 10 HD12 LEU 10 -6.282 21.587 2.501 76 HD13 LEU 10 HD13 LEU 10 -5.349 20.178 3.007 77 HD21 LEU 10 HD21 LEU 10 -2.532 21.063 2.885 78 HD22 LEU 10 HD22 LEU 10 -3.270 19.680 2.076 79 HD23 LEU 10 HD23 LEU 10 -2.344 20.856 1.144 80 H ALA 11 H ALA 11 -7.495 19.263 0.491 81 HA ALA 11 HA ALA 11 -8.328 18.478 -2.102 82 HB1 ALA 11 HB1 ALA 11 -10.663 18.858 -1.037 83 HB2 ALA 11 HB2 ALA 11 -9.626 17.575 -0.414 84 HB3 ALA 11 HB3 ALA 11 -9.750 19.107 0.452 85 H LEU 12 H LEU 12 -8.354 19.841 -3.771 86 HA LEU 12 HA LEU 12 -8.816 22.664 -3.424 87 HB2 LEU 12 HB2 LEU 12 -7.231 21.589 -5.092 88 HB3 LEU 12 HB3 LEU 12 -8.664 21.168 -6.027 89 HG LEU 12 HG LEU 12 -9.193 23.555 -6.267 90 HD11 LEU 12 HD11 LEU 12 -6.752 23.850 -4.561 91 HD12 LEU 12 HD12 LEU 12 -7.225 25.121 -5.689 92 HD13 LEU 12 HD13 LEU 12 -8.327 24.628 -4.404 93 HD21 LEU 12 HD21 LEU 12 -6.917 22.180 -7.382 94 HD22 LEU 12 HD22 LEU 12 -8.066 23.268 -8.161 95 HD23 LEU 12 HD23 LEU 12 -6.647 23.923 -7.344 96 H TYR 13 H TYR 13 -10.660 19.872 -4.352 97 HA TYR 13 HA TYR 13 -13.047 21.558 -4.543 98 HB2 TYR 13 HB2 TYR 13 -12.514 21.230 -6.844 99 HB3 TYR 13 HB3 TYR 13 -12.161 19.524 -6.590 100 HD1 TYR 13 HD1 TYR 13 -13.711 18.136 -7.569 101 HD2 TYR 13 HD2 TYR 13 -15.051 21.782 -5.832 102 HE1 TYR 13 HE1 TYR 13 -16.026 17.565 -8.171 103 HE2 TYR 13 HE2 TYR 13 -17.370 21.220 -6.428 104 HH TYR 13 HH TYR 13 -18.156 18.173 -8.080 105 H ASP 14 H ASP 14 -14.802 20.717 -3.565 106 HA ASP 14 HA ASP 14 -14.540 18.535 -1.817 107 HB2 ASP 14 HB2 ASP 14 -17.093 19.793 -2.846 108 HB3 ASP 14 HB3 ASP 14 -16.932 18.803 -1.397 109 H TYR 15 H TYR 15 -14.043 16.595 -2.698 110 HA TYR 15 HA TYR 15 -15.742 15.575 -4.866 111 HB2 TYR 15 HB2 TYR 15 -13.001 15.541 -4.587 112 HB3 TYR 15 HB3 TYR 15 -13.458 13.922 -4.071 113 HD1 TYR 15 HD1 TYR 15 -14.800 12.479 -5.643 114 HD2 TYR 15 HD2 TYR 15 -13.005 16.136 -6.871 115 HE1 TYR 15 HE1 TYR 15 -15.001 11.782 -7.993 116 HE2 TYR 15 HE2 TYR 15 -13.202 15.450 -9.225 117 HH TYR 15 HH TYR 15 -13.827 12.320 -10.180 118 H GLN 16 H GLN 16 -17.205 14.050 -4.479 119 HA GLN 16 HA GLN 16 -17.286 12.837 -1.820 120 HB2 GLN 16 HB2 GLN 16 -19.279 13.546 -3.865 121 HB3 GLN 16 HB3 GLN 16 -19.571 12.008 -3.064 122 HG2 GLN 16 HG2 GLN 16 -18.883 14.087 -1.175 123 HG3 GLN 16 HG3 GLN 16 -20.286 14.518 -2.153 124 HE21 GLN 16 HE21 GLN 16 -22.186 13.766 -1.536 125 HE22 GLN 16 HE22 GLN 16 -22.449 12.473 -0.421 126 H GLU 17 H GLU 17 -16.608 12.069 -5.099 127 HA GLU 17 HA GLU 17 -15.915 10.159 -6.123 128 HB2 GLU 17 HB2 GLU 17 -15.760 8.959 -3.356 129 HB3 GLU 17 HB3 GLU 17 -14.916 8.414 -4.798 130 HG2 GLU 17 HG2 GLU 17 -14.482 11.057 -3.426 131 HG3 GLU 17 HG3 GLU 17 -13.457 9.633 -3.252 132 H LYS 18 H LYS 18 -16.376 7.464 -5.508 133 HA LYS 18 HA LYS 18 -19.037 6.880 -4.804 134 HB2 LYS 18 HB2 LYS 18 -18.629 7.822 -7.518 135 HB3 LYS 18 HB3 LYS 18 -19.278 6.187 -7.499 136 HG2 LYS 18 HG2 LYS 18 -21.298 6.923 -6.969 137 HG3 LYS 18 HG3 LYS 18 -20.667 7.846 -5.603 138 HD2 LYS 18 HD2 LYS 18 -20.689 9.779 -6.749 139 HD3 LYS 18 HD3 LYS 18 -20.082 9.022 -8.223 140 HE2 LYS 18 HE2 LYS 18 -22.825 8.274 -7.499 141 HE3 LYS 18 HE3 LYS 18 -22.609 9.980 -7.887 142 HZ1 LYS 18 HZ1 LYS 18 -21.455 9.195 -9.958 143 HZ2 LYS 18 HZ2 LYS 18 -22.022 7.640 -9.606 144 HZ3 LYS 18 HZ3 LYS 18 -23.119 8.895 -9.896 145 H SER 19 H SER 19 -16.205 6.022 -6.696 146 HA SER 19 HA SER 19 -16.790 3.181 -6.484 147 HB2 SER 19 HB2 SER 19 -15.155 4.839 -8.189 148 HB3 SER 19 HB3 SER 19 -14.190 3.530 -7.507 149 HG SER 19 HG SER 19 -15.139 2.757 -9.356 150 HA PRO 20 HA PRO 20 -14.328 2.309 -2.961 151 HB2 PRO 20 HB2 PRO 20 -13.183 -0.059 -3.633 152 HB3 PRO 20 HB3 PRO 20 -14.898 0.100 -3.234 153 HG2 PRO 20 HG2 PRO 20 -13.583 -0.042 -5.919 154 HG3 PRO 20 HG3 PRO 20 -15.060 -0.843 -5.353 155 HD2 PRO 20 HD2 PRO 20 -15.109 1.393 -6.878 156 HD3 PRO 20 HD3 PRO 20 -16.350 1.042 -5.658 157 H ARG 21 H ARG 21 -12.778 2.436 -6.078 158 HA ARG 21 HA ARG 21 -10.113 2.523 -4.905 159 HB2 ARG 21 HB2 ARG 21 -9.289 2.511 -7.171 160 HB3 ARG 21 HB3 ARG 21 -10.527 1.273 -7.013 161 HG2 ARG 21 HG2 ARG 21 -11.523 3.881 -7.901 162 HG3 ARG 21 HG3 ARG 21 -10.400 3.097 -9.014 163 HD2 ARG 21 HD2 ARG 21 -12.983 1.995 -7.926 164 HD3 ARG 21 HD3 ARG 21 -12.615 2.416 -9.598 165 HE ARG 21 HE ARG 21 -10.769 0.523 -9.000 166 HH11 ARG 21 HH11 ARG 21 -14.239 0.670 -8.751 167 HH12 ARG 21 HH12 ARG 21 -14.458 -1.032 -8.994 168 HH21 ARG 21 HH21 ARG 21 -11.046 -1.718 -9.322 169 HH22 ARG 21 HH22 ARG 21 -12.641 -2.389 -9.318 170 H GLU 22 H GLU 22 -12.315 4.652 -4.671 171 HA GLU 22 HA GLU 22 -10.726 6.928 -5.657 172 HB2 GLU 22 HB2 GLU 22 -13.678 6.556 -5.271 173 HB3 GLU 22 HB3 GLU 22 -12.979 8.168 -5.254 174 HG2 GLU 22 HG2 GLU 22 -12.043 7.760 -7.493 175 HG3 GLU 22 HG3 GLU 22 -12.826 6.181 -7.508 176 H VAL 23 H VAL 23 -10.789 8.884 -4.296 177 HA VAL 23 HA VAL 23 -10.981 8.217 -1.430 178 HB VAL 23 HB VAL 23 -8.850 9.732 -2.903 179 HG11 VAL 23 HG11 VAL 23 -9.915 10.283 -0.215 180 HG12 VAL 23 HG12 VAL 23 -8.161 10.129 -0.320 181 HG13 VAL 23 HG13 VAL 23 -9.002 11.320 -1.312 182 HG21 VAL 23 HG21 VAL 23 -8.109 8.061 -0.641 183 HG22 VAL 23 HG22 VAL 23 -9.006 7.176 -1.875 184 HG23 VAL 23 HG23 VAL 23 -7.527 8.035 -2.306 185 H THR 24 H THR 24 -12.645 9.282 -0.592 186 HA THR 24 HA THR 24 -13.719 11.661 -1.754 187 HB THR 24 HB THR 24 -14.333 10.379 0.916 188 HG1 THR 24 HG1 THR 24 -15.932 9.318 -0.173 189 HG21 THR 24 HG21 THR 24 -16.490 11.870 -0.262 190 HG22 THR 24 HG22 THR 24 -15.743 12.057 1.324 191 HG23 THR 24 HG23 THR 24 -15.074 12.904 -0.071 192 H MET 25 H MET 25 -13.083 13.684 -1.431 193 HA MET 25 HA MET 25 -11.745 14.361 1.100 194 HB2 MET 25 HB2 MET 25 -10.106 15.676 -0.015 195 HB3 MET 25 HB3 MET 25 -10.131 14.114 -0.822 196 HG2 MET 25 HG2 MET 25 -11.958 15.996 -2.045 197 HG3 MET 25 HG3 MET 25 -10.302 16.597 -2.016 198 HE1 MET 25 HE1 MET 25 -8.674 16.166 -3.475 199 HE2 MET 25 HE2 MET 25 -8.656 15.030 -4.824 200 HE3 MET 25 HE3 MET 25 -9.774 16.394 -4.834 201 H LYS 26 H LYS 26 -11.981 16.539 1.793 202 HA LYS 26 HA LYS 26 -14.291 17.904 0.575 203 HB2 LYS 26 HB2 LYS 26 -13.495 17.417 3.392 204 HB3 LYS 26 HB3 LYS 26 -14.214 18.982 3.036 205 HG2 LYS 26 HG2 LYS 26 -15.613 16.613 1.962 206 HG3 LYS 26 HG3 LYS 26 -15.643 16.831 3.713 207 HD2 LYS 26 HD2 LYS 26 -16.843 18.787 3.585 208 HD3 LYS 26 HD3 LYS 26 -16.252 19.168 1.966 209 HE2 LYS 26 HE2 LYS 26 -17.621 16.870 1.501 210 HE3 LYS 26 HE3 LYS 26 -18.569 17.568 2.812 211 HZ1 LYS 26 HZ1 LYS 26 -19.557 18.676 1.151 212 HZ2 LYS 26 HZ2 LYS 26 -18.206 19.691 1.224 213 HZ3 LYS 26 HZ3 LYS 26 -18.272 18.452 0.074 214 H LYS 27 H LYS 27 -13.975 19.867 -0.245 215 HA LYS 27 HA LYS 27 -11.603 21.066 -0.732 216 HB2 LYS 27 HB2 LYS 27 -13.881 21.770 -1.571 217 HB3 LYS 27 HB3 LYS 27 -14.083 22.654 -0.064 218 HG2 LYS 27 HG2 LYS 27 -12.077 23.980 -0.608 219 HG3 LYS 27 HG3 LYS 27 -11.966 23.131 -2.152 220 HD2 LYS 27 HD2 LYS 27 -13.078 25.132 -2.657 221 HD3 LYS 27 HD3 LYS 27 -14.363 23.926 -2.557 222 HE2 LYS 27 HE2 LYS 27 -15.336 24.975 -0.845 223 HE3 LYS 27 HE3 LYS 27 -13.806 25.148 0.014 224 HZ1 LYS 27 HZ1 LYS 27 -14.680 26.911 -2.208 225 HZ2 LYS 27 HZ2 LYS 27 -14.864 27.285 -0.568 226 HZ3 LYS 27 HZ3 LYS 27 -13.315 27.114 -1.229 227 H GLY 28 H GLY 28 -10.022 21.331 0.735 228 HA2 GLY 28 HA2 GLY 28 -9.072 22.938 2.276 229 HA3 GLY 28 HA3 GLY 28 -10.639 23.028 3.066 230 H ASP 29 H ASP 29 -9.203 19.999 2.081 231 HA ASP 29 HA ASP 29 -8.621 19.394 4.905 232 HB2 ASP 29 HB2 ASP 29 -9.869 17.504 4.888 233 HB3 ASP 29 HB3 ASP 29 -10.719 18.308 3.571 234 H ILE 30 H ILE 30 -7.078 17.613 5.208 235 HA ILE 30 HA ILE 30 -5.064 17.615 3.062 236 HB ILE 30 HB ILE 30 -4.867 17.947 5.925 237 HG12 ILE 30 HG12 ILE 30 -3.848 19.261 3.943 238 HG13 ILE 30 HG13 ILE 30 -2.859 19.024 5.380 239 HG21 ILE 30 HG21 ILE 30 -2.877 16.505 6.253 240 HG22 ILE 30 HG22 ILE 30 -4.369 15.595 6.018 241 HG23 ILE 30 HG23 ILE 30 -3.212 15.748 4.696 242 HD11 ILE 30 HD11 ILE 30 -1.446 17.564 4.330 243 HD12 ILE 30 HD12 ILE 30 -2.659 17.065 3.151 244 HD13 ILE 30 HD13 ILE 30 -1.874 18.637 2.997 245 H LEU 31 H LEU 31 -4.163 15.717 2.343 246 HA LEU 31 HA LEU 31 -5.224 13.215 3.463 247 HB2 LEU 31 HB2 LEU 31 -4.902 12.652 0.797 248 HB3 LEU 31 HB3 LEU 31 -6.433 12.958 1.614 249 HG LEU 31 HG LEU 31 -4.894 15.245 0.460 250 HD11 LEU 31 HD11 LEU 31 -5.163 13.307 -1.217 251 HD12 LEU 31 HD12 LEU 31 -6.877 13.721 -1.185 252 HD13 LEU 31 HD13 LEU 31 -5.689 14.921 -1.696 253 HD21 LEU 31 HD21 LEU 31 -7.393 14.863 1.733 254 HD22 LEU 31 HD22 LEU 31 -6.714 16.352 1.074 255 HD23 LEU 31 HD23 LEU 31 -7.710 15.310 0.056 256 H THR 32 H THR 32 -3.936 11.305 2.892 257 HA THR 32 HA THR 32 -1.087 11.989 2.819 258 HB THR 32 HB THR 32 -2.160 9.250 3.434 259 HG1 THR 32 HG1 THR 32 -1.920 11.458 5.223 260 HG21 THR 32 HG21 THR 32 -0.102 8.850 4.387 261 HG22 THR 32 HG22 THR 32 0.348 9.958 3.091 262 HG23 THR 32 HG23 THR 32 0.185 10.553 4.743 263 H LEU 33 H LEU 33 -0.198 11.932 0.862 264 HA LEU 33 HA LEU 33 -1.273 10.557 -1.354 265 HB2 LEU 33 HB2 LEU 33 1.216 12.050 -0.765 266 HB3 LEU 33 HB3 LEU 33 1.246 10.957 -2.147 267 HG LEU 33 HG LEU 33 0.721 13.376 -2.642 268 HD11 LEU 33 HD11 LEU 33 0.047 11.205 -3.962 269 HD12 LEU 33 HD12 LEU 33 -1.583 11.708 -3.514 270 HD13 LEU 33 HD13 LEU 33 -0.552 12.791 -4.449 271 HD21 LEU 33 HD21 LEU 33 -1.643 14.043 -2.274 272 HD22 LEU 33 HD22 LEU 33 -1.844 12.624 -1.247 273 HD23 LEU 33 HD23 LEU 33 -0.711 13.894 -0.785 274 H LEU 34 H LEU 34 -0.627 8.682 -2.399 275 HA LEU 34 HA LEU 34 1.109 6.890 -0.830 276 HB2 LEU 34 HB2 LEU 34 -1.572 6.518 -1.944 277 HB3 LEU 34 HB3 LEU 34 -0.450 5.214 -2.327 278 HG LEU 34 HG LEU 34 -0.630 6.075 0.509 279 HD11 LEU 34 HD11 LEU 34 -2.882 5.933 0.434 280 HD12 LEU 34 HD12 LEU 34 -2.884 4.981 -1.050 281 HD13 LEU 34 HD13 LEU 34 -2.549 4.203 0.497 282 HD21 LEU 34 HD21 LEU 34 0.887 4.275 -0.427 283 HD22 LEU 34 HD22 LEU 34 -0.125 3.812 0.941 284 HD23 LEU 34 HD23 LEU 34 -0.571 3.319 -0.693 285 H ASN 35 H ASN 35 -0.272 7.152 -4.113 286 HA ASN 35 HA ASN 35 2.138 5.975 -5.230 287 HB2 ASN 35 HB2 ASN 35 -0.029 5.243 -6.098 288 HB3 ASN 35 HB3 ASN 35 -0.420 6.897 -6.561 289 HD21 ASN 35 HD21 ASN 35 2.616 5.127 -6.900 290 HD22 ASN 35 HD22 ASN 35 2.685 5.224 -8.624 291 H SER 36 H SER 36 0.198 8.788 -6.244 292 HA SER 36 HA SER 36 0.788 10.879 -6.926 293 HB2 SER 36 HB2 SER 36 2.800 10.178 -4.960 294 HB3 SER 36 HB3 SER 36 3.477 11.214 -6.216 295 HG SER 36 HG SER 36 2.401 12.820 -5.410 296 H THR 37 H THR 37 1.551 8.279 -8.361 297 HA THR 37 HA THR 37 3.683 9.288 -10.101 298 HB THR 37 HB THR 37 2.402 6.548 -10.034 299 HG1 THR 37 HG1 THR 37 5.059 7.065 -9.276 300 HG21 THR 37 HG21 THR 37 4.876 7.508 -11.478 301 HG22 THR 37 HG22 THR 37 4.234 5.865 -11.480 302 HG23 THR 37 HG23 THR 37 3.322 7.170 -12.239 303 H ASN 38 H ASN 38 0.292 8.406 -10.096 304 HA ASN 38 HA ASN 38 0.088 8.951 -12.964 305 HB2 ASN 38 HB2 ASN 38 -1.039 6.943 -12.277 306 HB3 ASN 38 HB3 ASN 38 -1.872 7.791 -10.977 307 HD21 ASN 38 HD21 ASN 38 -1.371 8.622 -14.382 308 HD22 ASN 38 HD22 ASN 38 -3.048 8.757 -14.774 309 H LYS 39 H LYS 39 0.126 11.125 -13.232 310 HA LYS 39 HA LYS 39 -0.805 13.113 -11.599 311 HB2 LYS 39 HB2 LYS 39 0.456 13.670 -13.556 312 HB3 LYS 39 HB3 LYS 39 -0.766 12.976 -14.614 313 HG2 LYS 39 HG2 LYS 39 -2.337 14.734 -13.926 314 HG3 LYS 39 HG3 LYS 39 -1.075 15.443 -12.915 315 HD2 LYS 39 HD2 LYS 39 -0.022 15.043 -15.531 316 HD3 LYS 39 HD3 LYS 39 -1.574 15.872 -15.673 317 HE2 LYS 39 HE2 LYS 39 -0.837 17.596 -14.155 318 HE3 LYS 39 HE3 LYS 39 0.669 16.733 -13.849 319 HZ1 LYS 39 HZ1 LYS 39 1.549 17.839 -15.534 320 HZ2 LYS 39 HZ2 LYS 39 0.483 17.063 -16.594 321 HZ3 LYS 39 HZ3 LYS 39 0.065 18.556 -15.917 322 H ASP 40 H ASP 40 -2.651 11.481 -14.169 323 HA ASP 40 HA ASP 40 -5.043 12.814 -13.973 324 HB2 ASP 40 HB2 ASP 40 -4.637 11.111 -15.667 325 HB3 ASP 40 HB3 ASP 40 -4.609 9.855 -14.432 326 H TRP 41 H TRP 41 -3.987 10.025 -12.041 327 HA TRP 41 HA TRP 41 -5.869 10.848 -9.953 328 HB2 TRP 41 HB2 TRP 41 -5.724 8.138 -11.251 329 HB3 TRP 41 HB3 TRP 41 -6.311 8.325 -9.601 330 HD1 TRP 41 HD1 TRP 41 -7.302 8.933 -13.217 331 HE1 TRP 41 HE1 TRP 41 -9.781 9.621 -13.303 332 HE3 TRP 41 HE3 TRP 41 -8.150 9.544 -8.212 333 HZ2 TRP 41 HZ2 TRP 41 -11.825 10.330 -11.490 334 HZ3 TRP 41 HZ3 TRP 41 -10.394 10.229 -7.471 335 HH2 TRP 41 HH2 TRP 41 -12.192 10.614 -9.077 336 H TRP 42 H TRP 42 -4.734 11.161 -8.165 337 HA TRP 42 HA TRP 42 -2.226 9.697 -7.784 338 HB2 TRP 42 HB2 TRP 42 -3.341 12.237 -6.620 339 HB3 TRP 42 HB3 TRP 42 -1.985 11.408 -5.860 340 HD1 TRP 42 HD1 TRP 42 -0.744 10.579 -8.853 341 HE1 TRP 42 HE1 TRP 42 0.587 12.406 -10.083 342 HE3 TRP 42 HE3 TRP 42 -2.525 14.683 -6.380 343 HZ2 TRP 42 HZ2 TRP 42 0.848 15.216 -10.013 344 HZ3 TRP 42 HZ3 TRP 42 -1.683 16.904 -7.022 345 HH2 TRP 42 HH2 TRP 42 -0.031 17.163 -8.801 346 H LYS 43 H LYS 43 -2.533 7.806 -6.785 347 HA LYS 43 HA LYS 43 -4.649 7.144 -5.087 348 HB2 LYS 43 HB2 LYS 43 -3.294 5.444 -6.172 349 HB3 LYS 43 HB3 LYS 43 -1.876 5.953 -5.265 350 HG2 LYS 43 HG2 LYS 43 -3.565 5.409 -3.239 351 HG3 LYS 43 HG3 LYS 43 -4.140 4.262 -4.451 352 HD2 LYS 43 HD2 LYS 43 -1.214 4.423 -4.122 353 HD3 LYS 43 HD3 LYS 43 -2.105 3.762 -2.749 354 HE2 LYS 43 HE2 LYS 43 -1.837 1.837 -3.916 355 HE3 LYS 43 HE3 LYS 43 -3.301 2.409 -4.714 356 HZ1 LYS 43 HZ1 LYS 43 -2.147 3.032 -6.583 357 HZ2 LYS 43 HZ2 LYS 43 -0.671 3.192 -5.772 358 HZ3 LYS 43 HZ3 LYS 43 -1.283 1.653 -6.120 359 H VAL 44 H VAL 44 -5.060 7.513 -3.001 360 HA VAL 44 HA VAL 44 -2.871 8.249 -1.202 361 HB VAL 44 HB VAL 44 -4.025 10.163 -0.309 362 HG11 VAL 44 HG11 VAL 44 -3.423 11.624 -1.939 363 HG12 VAL 44 HG12 VAL 44 -2.727 10.163 -2.641 364 HG13 VAL 44 HG13 VAL 44 -4.294 10.749 -3.199 365 HG21 VAL 44 HG21 VAL 44 -6.315 9.419 -0.560 366 HG22 VAL 44 HG22 VAL 44 -6.115 10.997 -1.323 367 HG23 VAL 44 HG23 VAL 44 -6.191 9.540 -2.315 368 H GLU 45 H GLU 45 -3.737 8.433 1.115 369 HA GLU 45 HA GLU 45 -5.808 6.382 1.544 370 HB2 GLU 45 HB2 GLU 45 -3.736 5.378 2.144 371 HB3 GLU 45 HB3 GLU 45 -3.206 6.818 3.001 372 HG2 GLU 45 HG2 GLU 45 -4.839 6.450 4.729 373 HG3 GLU 45 HG3 GLU 45 -5.517 5.085 3.844 374 H VAL 46 H VAL 46 -7.502 7.019 2.699 375 HA VAL 46 HA VAL 46 -7.186 9.129 4.701 376 HB VAL 46 HB VAL 46 -9.370 10.147 3.865 377 HG11 VAL 46 HG11 VAL 46 -7.236 10.562 1.829 378 HG12 VAL 46 HG12 VAL 46 -8.217 11.746 2.693 379 HG13 VAL 46 HG13 VAL 46 -6.887 10.931 3.518 380 HG21 VAL 46 HG21 VAL 46 -10.099 9.757 1.676 381 HG22 VAL 46 HG22 VAL 46 -8.604 8.937 1.227 382 HG23 VAL 46 HG23 VAL 46 -9.754 8.146 2.306 383 H ASN 47 H ASN 47 -8.325 8.751 6.506 384 HA ASN 47 HA ASN 47 -9.465 7.451 8.018 385 HB2 ASN 47 HB2 ASN 47 -11.962 7.221 7.210 386 HB3 ASN 47 HB3 ASN 47 -11.294 8.801 7.610 387 HD21 ASN 47 HD21 ASN 47 -12.287 6.670 5.047 388 HD22 ASN 47 HD22 ASN 47 -12.353 7.869 3.805 389 H ASP 48 H ASP 48 -7.989 5.630 7.208 390 HA ASP 48 HA ASP 48 -7.662 3.486 6.454 391 HB2 ASP 48 HB2 ASP 48 -9.142 3.430 8.616 392 HB3 ASP 48 HB3 ASP 48 -10.396 2.865 7.514 393 H ARG 49 H ARG 49 -8.779 5.170 4.446 394 HA ARG 49 HA ARG 49 -10.004 3.118 2.778 395 HB2 ARG 49 HB2 ARG 49 -11.434 5.406 3.842 396 HB3 ARG 49 HB3 ARG 49 -11.416 5.425 2.084 397 HG2 ARG 49 HG2 ARG 49 -12.219 2.996 3.655 398 HG3 ARG 49 HG3 ARG 49 -13.365 4.259 3.200 399 HD2 ARG 49 HD2 ARG 49 -11.851 3.569 0.899 400 HD3 ARG 49 HD3 ARG 49 -12.416 2.076 1.648 401 HE ARG 49 HE ARG 49 -13.996 3.996 0.257 402 HH11 ARG 49 HH11 ARG 49 -14.052 1.688 2.863 403 HH12 ARG 49 HH12 ARG 49 -15.761 1.421 2.763 404 HH21 ARG 49 HH21 ARG 49 -16.247 3.653 0.116 405 HH22 ARG 49 HH22 ARG 49 -17.008 2.539 1.200 406 H GLN 50 H GLN 50 -7.971 3.139 1.722 407 HA GLN 50 HA GLN 50 -7.159 5.602 0.393 408 HB2 GLN 50 HB2 GLN 50 -5.119 4.507 -0.120 409 HB3 GLN 50 HB3 GLN 50 -5.518 4.048 1.530 410 HG2 GLN 50 HG2 GLN 50 -5.079 1.975 0.836 411 HG3 GLN 50 HG3 GLN 50 -6.691 2.045 0.127 412 HE21 GLN 50 HE21 GLN 50 -3.302 2.770 -0.582 413 HE22 GLN 50 HE22 GLN 50 -3.385 2.370 -2.261 414 H GLY 51 H GLY 51 -6.973 5.824 -1.851 415 HA2 GLY 51 HA2 GLY 51 -7.791 3.723 -3.634 416 HA3 GLY 51 HA3 GLY 51 -9.022 4.962 -3.436 417 H PHE 52 H PHE 52 -8.942 6.652 -4.761 418 HA PHE 52 HA PHE 52 -6.371 7.481 -5.882 419 HB2 PHE 52 HB2 PHE 52 -8.801 6.695 -7.491 420 HB3 PHE 52 HB3 PHE 52 -7.506 7.690 -8.148 421 HD1 PHE 52 HD1 PHE 52 -5.083 6.510 -7.253 422 HD2 PHE 52 HD2 PHE 52 -8.708 4.590 -8.389 423 HE1 PHE 52 HE1 PHE 52 -3.821 4.481 -7.838 424 HE2 PHE 52 HE2 PHE 52 -7.451 2.558 -8.975 425 HZ PHE 52 HZ PHE 52 -5.005 2.501 -8.699 426 H VAL 53 H VAL 53 -6.141 9.613 -5.777 427 HA VAL 53 HA VAL 53 -8.558 11.260 -5.428 428 HB VAL 53 HB VAL 53 -6.379 11.098 -3.770 429 HG11 VAL 53 HG11 VAL 53 -5.093 13.115 -3.984 430 HG12 VAL 53 HG12 VAL 53 -5.006 12.229 -5.506 431 HG13 VAL 53 HG13 VAL 53 -6.059 13.637 -5.364 432 HG21 VAL 53 HG21 VAL 53 -8.801 12.388 -3.841 433 HG22 VAL 53 HG22 VAL 53 -7.651 12.436 -2.505 434 HG23 VAL 53 HG23 VAL 53 -7.654 13.722 -3.711 435 HA PRO 54 HA PRO 54 -7.690 13.164 -9.316 436 HB2 PRO 54 HB2 PRO 54 -9.238 15.372 -9.006 437 HB3 PRO 54 HB3 PRO 54 -9.906 13.769 -9.332 438 HG2 PRO 54 HG2 PRO 54 -9.663 15.226 -6.728 439 HG3 PRO 54 HG3 PRO 54 -11.024 14.281 -7.358 440 HD2 PRO 54 HD2 PRO 54 -9.279 13.290 -5.540 441 HD3 PRO 54 HD3 PRO 54 -10.067 12.271 -6.762 442 H ALA 55 H ALA 55 -5.784 14.091 -9.713 443 HA ALA 55 HA ALA 55 -4.388 15.763 -7.940 444 HB1 ALA 55 HB1 ALA 55 -2.811 16.095 -9.726 445 HB2 ALA 55 HB2 ALA 55 -3.344 14.414 -9.738 446 HB3 ALA 55 HB3 ALA 55 -3.989 15.552 -10.921 447 H ALA 56 H ALA 56 -5.989 16.599 -11.020 448 HA ALA 56 HA ALA 56 -5.625 19.313 -11.020 449 HB1 ALA 56 HB1 ALA 56 -7.646 19.478 -12.380 450 HB2 ALA 56 HB2 ALA 56 -6.666 18.093 -12.861 451 HB3 ALA 56 HB3 ALA 56 -8.117 17.851 -11.887 452 H TYR 57 H TYR 57 -7.915 17.446 -9.128 453 HA TYR 57 HA TYR 57 -9.100 19.884 -8.037 454 HB2 TYR 57 HB2 TYR 57 -9.820 16.965 -7.758 455 HB3 TYR 57 HB3 TYR 57 -10.618 18.242 -6.847 456 HD1 TYR 57 HD1 TYR 57 -10.933 16.226 -9.629 457 HD2 TYR 57 HD2 TYR 57 -11.375 20.295 -8.467 458 HE1 TYR 57 HE1 TYR 57 -12.480 16.587 -11.506 459 HE2 TYR 57 HE2 TYR 57 -12.925 20.667 -10.340 460 HH TYR 57 HH TYR 57 -13.925 18.008 -12.454 461 H VAL 58 H VAL 58 -6.414 19.489 -7.388 462 HA VAL 58 HA VAL 58 -6.621 19.325 -4.488 463 HB VAL 58 HB VAL 58 -5.776 17.084 -5.748 464 HG11 VAL 58 HG11 VAL 58 -3.203 18.421 -4.970 465 HG12 VAL 58 HG12 VAL 58 -3.443 16.924 -5.872 466 HG13 VAL 58 HG13 VAL 58 -3.818 18.476 -6.623 467 HG21 VAL 58 HG21 VAL 58 -6.263 17.487 -3.318 468 HG22 VAL 58 HG22 VAL 58 -4.933 16.373 -3.636 469 HG23 VAL 58 HG23 VAL 58 -4.594 18.033 -3.144 470 H LYS 59 H LYS 59 -4.446 19.943 -3.474 471 HA LYS 59 HA LYS 59 -2.724 21.590 -5.105 472 HB2 LYS 59 HB2 LYS 59 -4.944 22.747 -3.684 473 HB3 LYS 59 HB3 LYS 59 -3.432 23.331 -3.001 474 HG2 LYS 59 HG2 LYS 59 -2.834 23.691 -5.549 475 HG3 LYS 59 HG3 LYS 59 -4.591 23.760 -5.698 476 HD2 LYS 59 HD2 LYS 59 -4.232 25.364 -3.562 477 HD3 LYS 59 HD3 LYS 59 -2.715 25.647 -4.420 478 HE2 LYS 59 HE2 LYS 59 -3.727 26.855 -6.000 479 HE3 LYS 59 HE3 LYS 59 -5.008 25.661 -6.201 480 HZ1 LYS 59 HZ1 LYS 59 -6.363 26.736 -4.768 481 HZ2 LYS 59 HZ2 LYS 59 -5.101 27.302 -3.793 482 HZ3 LYS 59 HZ3 LYS 59 -5.454 28.078 -5.254 483 H LYS 60 H LYS 60 -0.776 21.022 -4.420 484 HA LYS 60 HA LYS 60 -0.254 19.812 -1.927 485 HB2 LYS 60 HB2 LYS 60 1.087 19.835 -4.210 486 HB3 LYS 60 HB3 LYS 60 1.930 21.173 -3.442 487 HG2 LYS 60 HG2 LYS 60 1.660 18.397 -2.307 488 HG3 LYS 60 HG3 LYS 60 3.089 19.048 -3.115 489 HD2 LYS 60 HD2 LYS 60 2.706 20.950 -1.253 490 HD3 LYS 60 HD3 LYS 60 2.039 19.556 -0.399 491 HE2 LYS 60 HE2 LYS 60 4.387 19.784 0.123 492 HE3 LYS 60 HE3 LYS 60 4.132 18.326 -0.836 493 HZ1 LYS 60 HZ1 LYS 60 4.652 20.514 -2.541 494 HZ2 LYS 60 HZ2 LYS 60 5.871 20.417 -1.372 495 HZ3 LYS 60 HZ3 LYS 60 5.533 19.082 -2.354 496 H LEU 61 H LEU 61 -0.982 21.129 -0.261 497 HA LEU 61 HA LEU 61 0.581 23.591 0.162 498 HB2 LEU 61 HB2 LEU 61 -2.170 23.060 1.257 499 HB3 LEU 61 HB3 LEU 61 -1.273 24.577 1.282 500 HG LEU 61 HG LEU 61 -2.077 23.342 -1.324 501 HD11 LEU 61 HD11 LEU 61 -4.235 23.590 -0.884 502 HD12 LEU 61 HD12 LEU 61 -3.880 24.243 0.716 503 HD13 LEU 61 HD13 LEU 61 -3.955 25.319 -0.679 504 HD21 LEU 61 HD21 LEU 61 -1.089 25.942 -0.329 505 HD22 LEU 61 HD22 LEU 61 -0.796 25.125 -1.865 506 HD23 LEU 61 HD23 LEU 61 -2.306 25.998 -1.605 507 H ASP 62 H ASP 62 1.872 21.511 1.018 508 HA ASP 62 HA ASP 62 1.720 21.725 3.903 509 HB2 ASP 62 HB2 ASP 62 0.400 19.609 2.754 510 HB3 ASP 62 HB3 ASP 62 1.983 18.916 3.092 Start of MODEL 3 1 H1 MET 1 H MET 1 1.129 0.927 0.312 2 HA MET 1 HA MET 1 2.885 -0.770 -1.283 3 HB2 MET 1 HB2 MET 1 0.435 0.629 -2.321 4 HB3 MET 1 HB3 MET 1 1.804 0.299 -3.375 5 HG2 MET 1 HG2 MET 1 1.231 -2.098 -2.017 6 HG3 MET 1 HG3 MET 1 -0.309 -1.435 -2.560 7 HE1 MET 1 HE1 MET 1 -1.243 -1.693 -4.702 8 HE2 MET 1 HE2 MET 1 -0.548 -2.687 -5.982 9 HE3 MET 1 HE3 MET 1 -0.858 -3.386 -4.393 10 H ASP 2 H ASP 2 1.446 2.432 -1.841 11 HA ASP 2 HA ASP 2 2.359 4.522 -1.904 12 HB2 ASP 2 HB2 ASP 2 4.947 3.495 -0.784 13 HB3 ASP 2 HB3 ASP 2 4.180 5.063 -0.547 14 H GLU 3 H GLU 3 5.205 2.425 -2.375 15 HA GLU 3 HA GLU 3 6.694 2.250 -4.086 16 HB2 GLU 3 HB2 GLU 3 4.281 1.795 -5.182 17 HB3 GLU 3 HB3 GLU 3 4.754 3.209 -6.113 18 HG2 GLU 3 HG2 GLU 3 6.866 1.217 -5.907 19 HG3 GLU 3 HG3 GLU 3 5.405 0.610 -6.684 20 H THR 4 H THR 4 6.557 4.740 -2.694 21 HA THR 4 HA THR 4 7.980 6.385 -4.592 22 HB THR 4 HB THR 4 5.433 7.410 -3.325 23 HG1 THR 4 HG1 THR 4 4.617 6.984 -5.222 24 HG21 THR 4 HG21 THR 4 7.790 8.793 -4.478 25 HG22 THR 4 HG22 THR 4 6.199 9.416 -4.915 26 HG23 THR 4 HG23 THR 4 6.672 9.319 -3.219 27 H GLY 5 H GLY 5 6.276 7.242 -1.592 28 HA2 GLY 5 HA2 GLY 5 8.245 6.861 0.275 29 HA3 GLY 5 HA3 GLY 5 8.655 8.394 -0.481 30 H LYS 6 H LYS 6 7.180 10.155 -0.303 31 HA LYS 6 HA LYS 6 4.866 9.915 1.394 32 HB2 LYS 6 HB2 LYS 6 7.452 10.898 2.436 33 HB3 LYS 6 HB3 LYS 6 6.052 11.892 2.817 34 HG2 LYS 6 HG2 LYS 6 5.748 10.537 4.551 35 HG3 LYS 6 HG3 LYS 6 5.176 9.347 3.379 36 HD2 LYS 6 HD2 LYS 6 6.791 8.087 4.357 37 HD3 LYS 6 HD3 LYS 6 7.804 8.911 3.170 38 HE2 LYS 6 HE2 LYS 6 9.028 9.261 5.075 39 HE3 LYS 6 HE3 LYS 6 8.018 10.706 5.077 40 HZ1 LYS 6 HZ1 LYS 6 6.461 9.422 6.544 41 HZ2 LYS 6 HZ2 LYS 6 7.671 8.249 6.697 42 HZ3 LYS 6 HZ3 LYS 6 7.946 9.826 7.246 43 H GLU 7 H GLU 7 3.643 11.899 1.531 44 HA GLU 7 HA GLU 7 4.365 14.320 0.351 45 HB2 GLU 7 HB2 GLU 7 3.657 12.257 -1.548 46 HB3 GLU 7 HB3 GLU 7 2.523 13.598 -1.637 47 HG2 GLU 7 HG2 GLU 7 4.046 15.008 -2.499 48 HG3 GLU 7 HG3 GLU 7 5.364 14.349 -1.532 49 H LEU 8 H LEU 8 2.625 15.836 0.265 50 HA LEU 8 HA LEU 8 0.060 14.898 1.330 51 HB2 LEU 8 HB2 LEU 8 2.025 16.388 2.774 52 HB3 LEU 8 HB3 LEU 8 0.602 17.399 2.527 53 HG LEU 8 HG LEU 8 -0.791 15.849 3.692 54 HD11 LEU 8 HD11 LEU 8 0.238 13.778 4.700 55 HD12 LEU 8 HD12 LEU 8 -0.005 13.747 2.954 56 HD13 LEU 8 HD13 LEU 8 1.605 14.033 3.615 57 HD21 LEU 8 HD21 LEU 8 1.102 15.544 5.737 58 HD22 LEU 8 HD22 LEU 8 1.542 17.023 4.882 59 HD23 LEU 8 HD23 LEU 8 -0.081 16.838 5.547 60 H VAL 9 H VAL 9 -1.720 16.232 0.860 61 HA VAL 9 HA VAL 9 -1.285 18.591 -0.793 62 HB VAL 9 HB VAL 9 -2.728 17.840 -2.593 63 HG11 VAL 9 HG11 VAL 9 -0.364 17.439 -2.873 64 HG12 VAL 9 HG12 VAL 9 -0.487 15.909 -2.004 65 HG13 VAL 9 HG13 VAL 9 -1.271 16.098 -3.573 66 HG21 VAL 9 HG21 VAL 9 -4.217 16.358 -1.470 67 HG22 VAL 9 HG22 VAL 9 -3.375 15.417 -2.702 68 HG23 VAL 9 HG23 VAL 9 -2.896 15.283 -1.010 69 H LEU 10 H LEU 10 -3.441 19.627 -1.361 70 HA LEU 10 HA LEU 10 -5.320 19.260 0.879 71 HB2 LEU 10 HB2 LEU 10 -4.212 21.708 -0.407 72 HB3 LEU 10 HB3 LEU 10 -5.843 21.762 0.258 73 HG LEU 10 HG LEU 10 -4.054 22.627 1.774 74 HD11 LEU 10 HD11 LEU 10 -6.300 21.617 2.472 75 HD12 LEU 10 HD12 LEU 10 -5.362 20.207 2.966 76 HD13 LEU 10 HD13 LEU 10 -5.049 21.777 3.705 77 HD21 LEU 10 HD21 LEU 10 -2.544 21.122 2.843 78 HD22 LEU 10 HD22 LEU 10 -3.274 19.730 2.043 79 HD23 LEU 10 HD23 LEU 10 -2.363 20.910 1.102 80 H ALA 11 H ALA 11 -7.501 19.285 0.456 81 HA ALA 11 HA ALA 11 -8.327 18.487 -2.136 82 HB1 ALA 11 HB1 ALA 11 -10.665 18.856 -1.071 83 HB2 ALA 11 HB2 ALA 11 -9.621 17.578 -0.449 84 HB3 ALA 11 HB3 ALA 11 -9.753 19.109 0.417 85 H LEU 12 H LEU 12 -8.359 19.848 -3.806 86 HA LEU 12 HA LEU 12 -8.841 22.669 -3.465 87 HB2 LEU 12 HB2 LEU 12 -7.252 21.589 -5.133 88 HB3 LEU 12 HB3 LEU 12 -8.687 21.177 -6.070 89 HG LEU 12 HG LEU 12 -8.229 24.025 -5.308 90 HD11 LEU 12 HD11 LEU 12 -6.069 23.221 -6.185 91 HD12 LEU 12 HD12 LEU 12 -6.890 22.675 -7.647 92 HD13 LEU 12 HD13 LEU 12 -6.845 24.393 -7.249 93 HD21 LEU 12 HD21 LEU 12 -9.067 23.557 -7.992 94 HD22 LEU 12 HD22 LEU 12 -10.047 22.571 -6.907 95 HD23 LEU 12 HD23 LEU 12 -9.954 24.316 -6.670 96 H TYR 13 H TYR 13 -10.668 19.864 -4.384 97 HA TYR 13 HA TYR 13 -13.066 21.533 -4.577 98 HB2 TYR 13 HB2 TYR 13 -12.532 21.209 -6.878 99 HB3 TYR 13 HB3 TYR 13 -12.167 19.506 -6.625 100 HD1 TYR 13 HD1 TYR 13 -15.091 21.646 -5.700 101 HD2 TYR 13 HD2 TYR 13 -13.688 18.201 -7.766 102 HE1 TYR 13 HE1 TYR 13 -17.407 21.067 -6.294 103 HE2 TYR 13 HE2 TYR 13 -16.000 17.614 -8.367 104 HH TYR 13 HH TYR 13 -18.742 19.585 -7.268 105 H ASP 14 H ASP 14 -14.814 20.681 -3.598 106 HA ASP 14 HA ASP 14 -14.536 18.500 -1.850 107 HB2 ASP 14 HB2 ASP 14 -17.098 19.740 -2.878 108 HB3 ASP 14 HB3 ASP 14 -16.930 18.752 -1.430 109 H TYR 15 H TYR 15 -14.023 16.565 -2.735 110 HA TYR 15 HA TYR 15 -15.717 15.533 -4.900 111 HB2 TYR 15 HB2 TYR 15 -12.977 15.519 -4.625 112 HB3 TYR 15 HB3 TYR 15 -13.420 13.896 -4.107 113 HD1 TYR 15 HD1 TYR 15 -14.757 12.445 -5.677 114 HD2 TYR 15 HD2 TYR 15 -12.984 16.111 -6.909 115 HE1 TYR 15 HE1 TYR 15 -14.955 11.745 -8.027 116 HE2 TYR 15 HE2 TYR 15 -13.179 15.422 -9.262 117 HH TYR 15 HH TYR 15 -14.698 12.340 -10.154 118 H GLN 16 H GLN 16 -17.172 14.000 -4.510 119 HA GLN 16 HA GLN 16 -17.241 12.785 -1.852 120 HB2 GLN 16 HB2 GLN 16 -19.223 13.705 -3.703 121 HB3 GLN 16 HB3 GLN 16 -19.488 11.995 -3.388 122 HG2 GLN 16 HG2 GLN 16 -18.946 13.446 -0.951 123 HG3 GLN 16 HG3 GLN 16 -20.312 14.133 -1.828 124 HE21 GLN 16 HE21 GLN 16 -21.882 12.437 -2.664 125 HE22 GLN 16 HE22 GLN 16 -22.298 11.175 -1.560 126 H GLU 17 H GLU 17 -16.560 12.021 -5.132 127 HA GLU 17 HA GLU 17 -15.851 10.116 -6.154 128 HB2 GLU 17 HB2 GLU 17 -15.689 8.916 -3.387 129 HB3 GLU 17 HB3 GLU 17 -14.839 8.380 -4.829 130 HG2 GLU 17 HG2 GLU 17 -14.427 11.024 -3.453 131 HG3 GLU 17 HG3 GLU 17 -13.391 9.609 -3.281 132 H LYS 18 H LYS 18 -16.292 7.418 -5.538 133 HA LYS 18 HA LYS 18 -18.949 6.814 -4.835 134 HB2 LYS 18 HB2 LYS 18 -18.548 7.760 -7.549 135 HB3 LYS 18 HB3 LYS 18 -19.182 6.120 -7.531 136 HG2 LYS 18 HG2 LYS 18 -21.206 6.806 -6.919 137 HG3 LYS 18 HG3 LYS 18 -20.557 7.850 -5.651 138 HD2 LYS 18 HD2 LYS 18 -20.282 9.654 -7.121 139 HD3 LYS 18 HD3 LYS 18 -20.405 8.623 -8.549 140 HE2 LYS 18 HE2 LYS 18 -22.482 9.605 -8.537 141 HE3 LYS 18 HE3 LYS 18 -22.802 8.135 -7.619 142 HZ1 LYS 18 HZ1 LYS 18 -23.767 10.033 -6.520 143 HZ2 LYS 18 HZ2 LYS 18 -22.505 9.421 -5.574 144 HZ3 LYS 18 HZ3 LYS 18 -22.275 10.828 -6.484 145 H SER 19 H SER 19 -16.109 5.977 -6.727 146 HA SER 19 HA SER 19 -16.674 3.132 -6.515 147 HB2 SER 19 HB2 SER 19 -15.052 4.801 -8.221 148 HB3 SER 19 HB3 SER 19 -14.076 3.501 -7.537 149 HG SER 19 HG SER 19 -15.640 3.293 -9.570 150 HA PRO 20 HA PRO 20 -14.205 2.280 -2.991 151 HB2 PRO 20 HB2 PRO 20 -13.043 -0.080 -3.662 152 HB3 PRO 20 HB3 PRO 20 -14.759 0.066 -3.263 153 HG2 PRO 20 HG2 PRO 20 -13.443 -0.068 -5.949 154 HG3 PRO 20 HG3 PRO 20 -14.914 -0.879 -5.382 155 HD2 PRO 20 HD2 PRO 20 -14.980 1.357 -6.908 156 HD3 PRO 20 HD3 PRO 20 -16.218 0.997 -5.688 157 H ARG 21 H ARG 21 -12.657 2.418 -6.108 158 HA ARG 21 HA ARG 21 -9.992 2.524 -4.936 159 HB2 ARG 21 HB2 ARG 21 -9.168 2.518 -7.202 160 HB3 ARG 21 HB3 ARG 21 -10.399 1.273 -7.045 161 HG2 ARG 21 HG2 ARG 21 -11.412 3.875 -7.930 162 HG3 ARG 21 HG3 ARG 21 -10.282 3.101 -9.044 163 HD2 ARG 21 HD2 ARG 21 -12.858 1.977 -7.959 164 HD3 ARG 21 HD3 ARG 21 -12.492 2.405 -9.630 165 HE ARG 21 HE ARG 21 -10.632 0.526 -9.041 166 HH11 ARG 21 HH11 ARG 21 -14.102 0.642 -8.777 167 HH12 ARG 21 HH12 ARG 21 -14.308 -1.061 -9.021 168 HH21 ARG 21 HH21 ARG 21 -10.891 -1.718 -9.364 169 HH22 ARG 21 HH22 ARG 21 -12.481 -2.402 -9.354 170 H GLU 22 H GLU 22 -12.212 4.637 -4.704 171 HA GLU 22 HA GLU 22 -10.639 6.925 -5.688 172 HB2 GLU 22 HB2 GLU 22 -13.589 6.531 -5.300 173 HB3 GLU 22 HB3 GLU 22 -12.901 8.149 -5.284 174 HG2 GLU 22 HG2 GLU 22 -11.963 7.744 -7.524 175 HG3 GLU 22 HG3 GLU 22 -12.737 6.161 -7.538 176 H VAL 23 H VAL 23 -10.715 8.880 -4.326 177 HA VAL 23 HA VAL 23 -10.902 8.210 -1.461 178 HB VAL 23 HB VAL 23 -8.783 9.741 -2.934 179 HG11 VAL 23 HG11 VAL 23 -9.850 10.284 -0.245 180 HG12 VAL 23 HG12 VAL 23 -8.095 10.147 -0.354 181 HG13 VAL 23 HG13 VAL 23 -8.950 11.330 -1.344 182 HG21 VAL 23 HG21 VAL 23 -8.028 8.079 -0.672 183 HG22 VAL 23 HG22 VAL 23 -8.920 7.185 -1.902 184 HG23 VAL 23 HG23 VAL 23 -7.448 8.053 -2.337 185 H THR 24 H THR 24 -12.574 9.263 -0.622 186 HA THR 24 HA THR 24 -13.667 11.633 -1.782 187 HB THR 24 HB THR 24 -14.269 10.352 0.891 188 HG1 THR 24 HG1 THR 24 -14.852 8.929 -0.702 189 HG21 THR 24 HG21 THR 24 -16.439 11.816 -0.298 190 HG22 THR 24 HG22 THR 24 -15.699 12.014 1.290 191 HG23 THR 24 HG23 THR 24 -15.034 12.864 -0.105 192 H MET 25 H MET 25 -13.042 13.660 -1.462 193 HA MET 25 HA MET 25 -11.709 14.348 1.069 194 HB2 MET 25 HB2 MET 25 -10.082 15.678 -0.050 195 HB3 MET 25 HB3 MET 25 -10.094 14.113 -0.853 196 HG2 MET 25 HG2 MET 25 -11.940 15.972 -2.082 197 HG3 MET 25 HG3 MET 25 -10.292 16.595 -2.050 198 HE1 MET 25 HE1 MET 25 -8.614 15.040 -4.846 199 HE2 MET 25 HE2 MET 25 -9.746 16.392 -4.866 200 HE3 MET 25 HE3 MET 25 -8.651 16.179 -3.500 201 H LYS 26 H LYS 26 -11.961 16.523 1.762 202 HA LYS 26 HA LYS 26 -14.282 17.871 0.546 203 HB2 LYS 26 HB2 LYS 26 -13.607 17.213 3.308 204 HB3 LYS 26 HB3 LYS 26 -14.010 18.912 3.099 205 HG2 LYS 26 HG2 LYS 26 -15.862 17.125 1.739 206 HG3 LYS 26 HG3 LYS 26 -15.794 16.868 3.484 207 HD2 LYS 26 HD2 LYS 26 -16.003 19.436 3.642 208 HD3 LYS 26 HD3 LYS 26 -16.549 19.342 1.966 209 HE2 LYS 26 HE2 LYS 26 -18.275 17.696 2.705 210 HE3 LYS 26 HE3 LYS 26 -17.787 18.008 4.370 211 HZ1 LYS 26 HZ1 LYS 26 -18.223 20.473 3.628 212 HZ2 LYS 26 HZ2 LYS 26 -19.249 19.728 2.507 213 HZ3 LYS 26 HZ3 LYS 26 -19.487 19.483 4.164 214 H LYS 27 H LYS 27 -13.980 19.834 -0.277 215 HA LYS 27 HA LYS 27 -11.619 21.052 -0.765 216 HB2 LYS 27 HB2 LYS 27 -13.901 21.739 -1.603 217 HB3 LYS 27 HB3 LYS 27 -14.111 22.620 -0.095 218 HG2 LYS 27 HG2 LYS 27 -12.116 23.963 -0.636 219 HG3 LYS 27 HG3 LYS 27 -11.998 23.119 -2.182 220 HD2 LYS 27 HD2 LYS 27 -13.391 24.618 -3.052 221 HD3 LYS 27 HD3 LYS 27 -14.654 24.021 -1.973 222 HE2 LYS 27 HE2 LYS 27 -14.438 26.396 -1.678 223 HE3 LYS 27 HE3 LYS 27 -13.835 25.587 -0.233 224 HZ1 LYS 27 HZ1 LYS 27 -11.621 25.823 -1.770 225 HZ2 LYS 27 HZ2 LYS 27 -12.444 27.262 -2.109 226 HZ3 LYS 27 HZ3 LYS 27 -12.049 26.869 -0.511 227 H GLY 28 H GLY 28 -10.038 21.328 0.700 228 HA2 GLY 28 HA2 GLY 28 -9.097 22.942 2.240 229 HA3 GLY 28 HA3 GLY 28 -10.664 23.022 3.031 230 H ASP 29 H ASP 29 -9.209 20.001 2.047 231 HA ASP 29 HA ASP 29 -8.621 19.402 4.870 232 HB2 ASP 29 HB2 ASP 29 -9.855 17.501 4.855 233 HB3 ASP 29 HB3 ASP 29 -10.714 18.302 3.542 234 H ILE 30 H ILE 30 -7.062 17.638 5.176 235 HA ILE 30 HA ILE 30 -5.052 17.649 3.026 236 HB ILE 30 HB ILE 30 -4.855 17.981 5.891 237 HG12 ILE 30 HG12 ILE 30 -3.855 19.310 3.907 238 HG13 ILE 30 HG13 ILE 30 -2.864 19.084 5.344 239 HG21 ILE 30 HG21 ILE 30 -4.330 15.636 5.980 240 HG22 ILE 30 HG22 ILE 30 -3.182 15.801 4.651 241 HG23 ILE 30 HG23 ILE 30 -2.845 16.561 6.207 242 HD11 ILE 30 HD11 ILE 30 -2.644 17.141 3.099 243 HD12 ILE 30 HD12 ILE 30 -1.860 18.716 2.975 244 HD13 ILE 30 HD13 ILE 30 -1.441 17.624 4.296 245 H LEU 31 H LEU 31 -4.139 15.757 2.308 246 HA LEU 31 HA LEU 31 -5.184 13.249 3.432 247 HB2 LEU 31 HB2 LEU 31 -4.853 12.687 0.765 248 HB3 LEU 31 HB3 LEU 31 -6.387 12.978 1.582 249 HG LEU 31 HG LEU 31 -4.869 15.279 0.428 250 HD11 LEU 31 HD11 LEU 31 -5.655 14.946 -1.727 251 HD12 LEU 31 HD12 LEU 31 -5.131 13.332 -1.246 252 HD13 LEU 31 HD13 LEU 31 -6.845 13.748 -1.217 253 HD21 LEU 31 HD21 LEU 31 -7.541 15.607 -0.047 254 HD22 LEU 31 HD22 LEU 31 -7.539 14.717 1.476 255 HD23 LEU 31 HD23 LEU 31 -6.667 16.244 1.346 256 H THR 32 H THR 32 -3.883 11.346 2.865 257 HA THR 32 HA THR 32 -1.038 12.049 2.797 258 HB THR 32 HB THR 32 -2.230 9.360 3.481 259 HG1 THR 32 HG1 THR 32 -1.335 11.262 5.380 260 HG21 THR 32 HG21 THR 32 -0.082 8.991 4.591 261 HG22 THR 32 HG22 THR 32 0.150 9.356 2.881 262 HG23 THR 32 HG23 THR 32 0.458 10.596 4.096 263 H LEU 33 H LEU 33 -0.145 12.003 0.841 264 HA LEU 33 HA LEU 33 -1.206 10.623 -1.379 265 HB2 LEU 33 HB2 LEU 33 1.271 12.133 -0.783 266 HB3 LEU 33 HB3 LEU 33 1.312 11.043 -2.167 267 HG LEU 33 HG LEU 33 0.770 13.459 -2.659 268 HD11 LEU 33 HD11 LEU 33 0.110 11.281 -3.980 269 HD12 LEU 33 HD12 LEU 33 -1.523 11.781 -3.540 270 HD13 LEU 33 HD13 LEU 33 -0.489 12.865 -4.471 271 HD21 LEU 33 HD21 LEU 33 -1.796 12.686 -1.276 272 HD22 LEU 33 HD22 LEU 33 -0.671 13.956 -0.798 273 HD23 LEU 33 HD23 LEU 33 -1.595 14.114 -2.292 274 H LEU 34 H LEU 34 -0.542 8.755 -2.427 275 HA LEU 34 HA LEU 34 1.207 6.975 -0.860 276 HB2 LEU 34 HB2 LEU 34 -1.474 6.582 -1.967 277 HB3 LEU 34 HB3 LEU 34 -0.342 5.286 -2.351 278 HG LEU 34 HG LEU 34 -0.517 6.147 0.484 279 HD11 LEU 34 HD11 LEU 34 -2.434 4.265 0.472 280 HD12 LEU 34 HD12 LEU 34 -2.766 5.997 0.430 281 HD13 LEU 34 HD13 LEU 34 -2.779 5.061 -1.064 282 HD21 LEU 34 HD21 LEU 34 -0.463 3.389 -0.714 283 HD22 LEU 34 HD22 LEU 34 0.997 4.347 -0.463 284 HD23 LEU 34 HD23 LEU 34 -0.004 3.886 0.915 285 H ASN 35 H ASN 35 -0.186 7.224 -4.139 286 HA ASN 35 HA ASN 35 2.229 6.065 -5.263 287 HB2 ASN 35 HB2 ASN 35 0.067 5.316 -6.125 288 HB3 ASN 35 HB3 ASN 35 -0.339 6.967 -6.585 289 HD21 ASN 35 HD21 ASN 35 2.711 5.223 -6.935 290 HD22 ASN 35 HD22 ASN 35 2.773 5.321 -8.659 291 H SER 36 H SER 36 0.266 8.862 -6.274 292 HA SER 36 HA SER 36 0.838 10.957 -6.959 293 HB2 SER 36 HB2 SER 36 2.863 10.273 -4.999 294 HB3 SER 36 HB3 SER 36 3.523 11.320 -6.255 295 HG SER 36 HG SER 36 1.803 12.769 -5.838 296 H THR 37 H THR 37 1.610 8.367 -8.400 297 HA THR 37 HA THR 37 3.734 9.390 -10.141 298 HB THR 37 HB THR 37 2.476 6.640 -10.068 299 HG1 THR 37 HG1 THR 37 5.033 7.512 -9.152 300 HG21 THR 37 HG21 THR 37 3.334 6.608 -12.168 301 HG22 THR 37 HG22 THR 37 4.447 7.938 -11.849 302 HG23 THR 37 HG23 THR 37 4.843 6.307 -11.305 303 H ASN 38 H ASN 38 0.351 8.476 -10.131 304 HA ASN 38 HA ASN 38 0.136 9.015 -12.999 305 HB2 ASN 38 HB2 ASN 38 -0.984 7.009 -12.333 306 HB3 ASN 38 HB3 ASN 38 -1.789 7.828 -10.997 307 HD21 ASN 38 HD21 ASN 38 -1.376 8.767 -14.383 308 HD22 ASN 38 HD22 ASN 38 -3.064 8.883 -14.737 309 H LYS 39 H LYS 39 0.156 11.187 -13.279 310 HA LYS 39 HA LYS 39 -0.784 13.174 -11.646 311 HB2 LYS 39 HB2 LYS 39 0.475 13.736 -13.602 312 HB3 LYS 39 HB3 LYS 39 -0.740 13.030 -14.660 313 HG2 LYS 39 HG2 LYS 39 -2.316 14.777 -14.046 314 HG3 LYS 39 HG3 LYS 39 -1.127 15.474 -12.943 315 HD2 LYS 39 HD2 LYS 39 0.335 16.016 -14.763 316 HD3 LYS 39 HD3 LYS 39 -0.681 15.134 -15.906 317 HE2 LYS 39 HE2 LYS 39 -2.224 17.107 -14.485 318 HE3 LYS 39 HE3 LYS 39 -0.817 17.851 -15.243 319 HZ1 LYS 39 HZ1 LYS 39 -3.192 17.147 -16.460 320 HZ2 LYS 39 HZ2 LYS 39 -1.779 17.689 -17.216 321 HZ3 LYS 39 HZ3 LYS 39 -2.053 16.030 -17.024 322 H ASP 40 H ASP 40 -2.618 11.522 -14.211 323 HA ASP 40 HA ASP 40 -5.018 12.841 -14.023 324 HB2 ASP 40 HB2 ASP 40 -4.854 9.846 -14.334 325 HB3 ASP 40 HB3 ASP 40 -6.039 10.948 -15.029 326 H TRP 41 H TRP 41 -3.907 10.111 -12.048 327 HA TRP 41 HA TRP 41 -5.794 10.923 -9.968 328 HB2 TRP 41 HB2 TRP 41 -5.675 8.205 -11.254 329 HB3 TRP 41 HB3 TRP 41 -6.269 8.413 -9.609 330 HD1 TRP 41 HD1 TRP 41 -7.205 9.099 -13.242 331 HE1 TRP 41 HE1 TRP 41 -9.687 9.773 -13.346 332 HE3 TRP 41 HE3 TRP 41 -8.141 9.524 -8.234 333 HZ2 TRP 41 HZ2 TRP 41 -11.766 10.403 -11.544 334 HZ3 TRP 41 HZ3 TRP 41 -10.403 10.167 -7.508 335 HH2 TRP 41 HH2 TRP 41 -12.176 10.597 -9.130 336 H TRP 42 H TRP 42 -4.654 11.218 -8.181 337 HA TRP 42 HA TRP 42 -2.152 9.739 -7.819 338 HB2 TRP 42 HB2 TRP 42 -3.247 12.275 -6.624 339 HB3 TRP 42 HB3 TRP 42 -1.876 11.440 -5.899 340 HD1 TRP 42 HD1 TRP 42 -0.667 10.635 -8.898 341 HE1 TRP 42 HE1 TRP 42 0.631 12.475 -10.146 342 HE3 TRP 42 HE3 TRP 42 -2.463 14.724 -6.410 343 HZ2 TRP 42 HZ2 TRP 42 0.862 15.287 -10.083 344 HZ3 TRP 42 HZ3 TRP 42 -1.652 16.953 -7.065 345 HH2 TRP 42 HH2 TRP 42 -0.023 17.226 -8.863 346 H LYS 43 H LYS 43 -2.443 7.853 -6.810 347 HA LYS 43 HA LYS 43 -4.560 7.185 -5.115 348 HB2 LYS 43 HB2 LYS 43 -3.196 5.488 -6.197 349 HB3 LYS 43 HB3 LYS 43 -1.781 6.004 -5.287 350 HG2 LYS 43 HG2 LYS 43 -3.482 5.455 -3.267 351 HG3 LYS 43 HG3 LYS 43 -4.034 4.298 -4.481 352 HD2 LYS 43 HD2 LYS 43 -1.113 4.492 -4.128 353 HD3 LYS 43 HD3 LYS 43 -2.008 3.827 -2.760 354 HE2 LYS 43 HE2 LYS 43 -3.127 2.276 -4.409 355 HE3 LYS 43 HE3 LYS 43 -1.951 2.828 -5.600 356 HZ1 LYS 43 HZ1 LYS 43 -1.499 0.713 -4.172 357 HZ2 LYS 43 HZ2 LYS 43 -0.239 1.783 -4.531 358 HZ3 LYS 43 HZ3 LYS 43 -0.985 1.833 -3.014 359 H VAL 44 H VAL 44 -4.974 7.545 -3.028 360 HA VAL 44 HA VAL 44 -2.792 8.297 -1.227 361 HB VAL 44 HB VAL 44 -3.960 10.203 -0.336 362 HG11 VAL 44 HG11 VAL 44 -4.226 10.785 -3.227 363 HG12 VAL 44 HG12 VAL 44 -3.367 11.669 -1.965 364 HG13 VAL 44 HG13 VAL 44 -2.656 10.213 -2.662 365 HG21 VAL 44 HG21 VAL 44 -6.245 9.442 -0.593 366 HG22 VAL 44 HG22 VAL 44 -6.054 11.023 -1.349 367 HG23 VAL 44 HG23 VAL 44 -6.118 9.570 -2.347 368 H GLU 45 H GLU 45 -3.661 8.475 1.089 369 HA GLU 45 HA GLU 45 -5.719 6.410 1.516 370 HB2 GLU 45 HB2 GLU 45 -3.643 5.419 2.119 371 HB3 GLU 45 HB3 GLU 45 -3.121 6.864 2.974 372 HG2 GLU 45 HG2 GLU 45 -4.718 6.488 4.716 373 HG3 GLU 45 HG3 GLU 45 -5.440 5.149 3.825 374 H VAL 46 H VAL 46 -7.418 7.035 2.669 375 HA VAL 46 HA VAL 46 -7.120 9.148 4.671 376 HB VAL 46 HB VAL 46 -9.308 10.152 3.832 377 HG11 VAL 46 HG11 VAL 46 -7.174 10.576 1.797 378 HG12 VAL 46 HG12 VAL 46 -8.163 11.756 2.657 379 HG13 VAL 46 HG13 VAL 46 -6.830 10.951 3.485 380 HG21 VAL 46 HG21 VAL 46 -9.679 8.148 2.275 381 HG22 VAL 46 HG22 VAL 46 -10.035 9.756 1.645 382 HG23 VAL 46 HG23 VAL 46 -8.535 8.945 1.196 383 H ASN 47 H ASN 47 -8.261 8.764 6.473 384 HA ASN 47 HA ASN 47 -9.395 7.457 7.985 385 HB2 ASN 47 HB2 ASN 47 -11.889 7.208 7.171 386 HB3 ASN 47 HB3 ASN 47 -11.233 8.793 7.570 387 HD21 ASN 47 HD21 ASN 47 -12.205 6.652 5.008 388 HD22 ASN 47 HD22 ASN 47 -12.277 7.849 3.764 389 H ASP 48 H ASP 48 -7.905 5.645 7.181 390 HA ASP 48 HA ASP 48 -7.560 3.503 6.427 391 HB2 ASP 48 HB2 ASP 48 -9.243 3.536 8.548 392 HB3 ASP 48 HB3 ASP 48 -10.236 2.673 7.376 393 H ARG 49 H ARG 49 -8.684 5.176 4.416 394 HA ARG 49 HA ARG 49 -9.891 3.114 2.748 395 HB2 ARG 49 HB2 ARG 49 -11.342 5.392 3.808 396 HB3 ARG 49 HB3 ARG 49 -11.322 5.407 2.050 397 HG2 ARG 49 HG2 ARG 49 -12.107 2.976 3.625 398 HG3 ARG 49 HG3 ARG 49 -13.263 4.227 3.165 399 HD2 ARG 49 HD2 ARG 49 -11.740 3.545 0.868 400 HD3 ARG 49 HD3 ARG 49 -12.290 2.048 1.621 401 HE ARG 49 HE ARG 49 -13.907 4.018 0.292 402 HH11 ARG 49 HH11 ARG 49 -13.874 1.455 2.647 403 HH12 ARG 49 HH12 ARG 49 -15.563 1.108 2.485 404 HH21 ARG 49 HH21 ARG 49 -16.132 3.571 0.070 405 HH22 ARG 49 HH22 ARG 49 -16.847 2.312 1.019 406 H GLN 50 H GLN 50 -7.857 3.152 1.695 407 HA GLN 50 HA GLN 50 -7.063 5.620 0.366 408 HB2 GLN 50 HB2 GLN 50 -5.015 4.535 -0.151 409 HB3 GLN 50 HB3 GLN 50 -5.408 4.085 1.503 410 HG2 GLN 50 HG2 GLN 50 -4.959 2.010 0.824 411 HG3 GLN 50 HG3 GLN 50 -6.571 2.065 0.114 412 HE21 GLN 50 HE21 GLN 50 -3.194 2.840 -0.608 413 HE22 GLN 50 HE22 GLN 50 -3.272 2.415 -2.280 414 H GLY 51 H GLY 51 -6.882 5.848 -1.876 415 HA2 GLY 51 HA2 GLY 51 -7.682 3.740 -3.661 416 HA3 GLY 51 HA3 GLY 51 -8.921 4.971 -3.464 417 H PHE 52 H PHE 52 -8.850 6.664 -4.785 418 HA PHE 52 HA PHE 52 -6.283 7.509 -5.905 419 HB2 PHE 52 HB2 PHE 52 -8.706 6.706 -7.515 420 HB3 PHE 52 HB3 PHE 52 -7.419 7.712 -8.171 421 HD1 PHE 52 HD1 PHE 52 -8.597 4.596 -8.397 422 HD2 PHE 52 HD2 PHE 52 -4.984 6.559 -7.294 423 HE1 PHE 52 HE1 PHE 52 -7.323 2.574 -8.983 424 HE2 PHE 52 HE2 PHE 52 -3.705 4.541 -7.880 425 HZ PHE 52 HZ PHE 52 -4.874 2.545 -8.726 426 H VAL 53 H VAL 53 -6.068 9.644 -5.807 427 HA VAL 53 HA VAL 53 -8.496 11.274 -5.455 428 HB VAL 53 HB VAL 53 -6.309 11.129 -3.803 429 HG11 VAL 53 HG11 VAL 53 -5.046 13.162 -4.019 430 HG12 VAL 53 HG12 VAL 53 -4.953 12.277 -5.542 431 HG13 VAL 53 HG13 VAL 53 -6.022 13.672 -5.397 432 HG21 VAL 53 HG21 VAL 53 -7.595 12.446 -2.532 433 HG22 VAL 53 HG22 VAL 53 -7.606 13.740 -3.730 434 HG23 VAL 53 HG23 VAL 53 -8.744 12.399 -3.869 435 HA PRO 54 HA PRO 54 -7.647 13.180 -9.346 436 HB2 PRO 54 HB2 PRO 54 -9.210 15.379 -9.036 437 HB3 PRO 54 HB3 PRO 54 -9.868 13.770 -9.358 438 HG2 PRO 54 HG2 PRO 54 -9.629 15.232 -6.757 439 HG3 PRO 54 HG3 PRO 54 -10.985 14.277 -7.383 440 HD2 PRO 54 HD2 PRO 54 -9.230 13.299 -5.567 441 HD3 PRO 54 HD3 PRO 54 -10.014 12.274 -6.787 442 H ALA 55 H ALA 55 -5.760 14.133 -9.764 443 HA ALA 55 HA ALA 55 -4.366 15.810 -7.991 444 HB1 ALA 55 HB1 ALA 55 -2.802 16.161 -9.789 445 HB2 ALA 55 HB2 ALA 55 -3.315 14.474 -9.791 446 HB3 ALA 55 HB3 ALA 55 -3.982 15.599 -10.974 447 H ALA 56 H ALA 56 -5.981 16.640 -11.065 448 HA ALA 56 HA ALA 56 -5.640 19.357 -11.060 449 HB1 ALA 56 HB1 ALA 56 -8.121 17.876 -11.925 450 HB2 ALA 56 HB2 ALA 56 -7.665 19.508 -12.414 451 HB3 ALA 56 HB3 ALA 56 -6.675 18.132 -12.901 452 H TYR 57 H TYR 57 -7.910 17.466 -9.166 453 HA TYR 57 HA TYR 57 -9.113 19.892 -8.067 454 HB2 TYR 57 HB2 TYR 57 -9.808 16.966 -7.789 455 HB3 TYR 57 HB3 TYR 57 -10.618 18.239 -6.882 456 HD1 TYR 57 HD1 TYR 57 -11.393 20.281 -8.505 457 HD2 TYR 57 HD2 TYR 57 -10.913 16.215 -9.660 458 HE1 TYR 57 HE1 TYR 57 -12.943 20.637 -10.381 459 HE2 TYR 57 HE2 TYR 57 -12.460 16.560 -11.540 460 HH TYR 57 HH TYR 57 -14.383 18.183 -12.065 461 H VAL 58 H VAL 58 -6.423 19.520 -7.424 462 HA VAL 58 HA VAL 58 -6.623 19.346 -4.524 463 HB VAL 58 HB VAL 58 -5.762 17.115 -5.791 464 HG11 VAL 58 HG11 VAL 58 -3.199 18.473 -5.016 465 HG12 VAL 58 HG12 VAL 58 -3.427 16.975 -5.919 466 HG13 VAL 58 HG13 VAL 58 -3.817 18.524 -6.667 467 HG21 VAL 58 HG21 VAL 58 -4.908 16.406 -3.683 468 HG22 VAL 58 HG22 VAL 58 -4.585 18.068 -3.187 469 HG23 VAL 58 HG23 VAL 58 -6.248 17.506 -3.360 470 H LYS 59 H LYS 59 -4.453 19.979 -3.512 471 HA LYS 59 HA LYS 59 -2.745 21.642 -5.141 472 HB2 LYS 59 HB2 LYS 59 -4.991 22.796 -3.830 473 HB3 LYS 59 HB3 LYS 59 -3.546 23.328 -2.980 474 HG2 LYS 59 HG2 LYS 59 -2.667 24.364 -4.884 475 HG3 LYS 59 HG3 LYS 59 -3.772 23.510 -5.964 476 HD2 LYS 59 HD2 LYS 59 -5.644 24.740 -4.736 477 HD3 LYS 59 HD3 LYS 59 -4.372 25.768 -4.073 478 HE2 LYS 59 HE2 LYS 59 -3.786 26.593 -6.189 479 HE3 LYS 59 HE3 LYS 59 -4.636 25.295 -7.026 480 HZ1 LYS 59 HZ1 LYS 59 -6.563 26.395 -6.929 481 HZ2 LYS 59 HZ2 LYS 59 -6.320 26.916 -5.338 482 HZ3 LYS 59 HZ3 LYS 59 -5.619 27.766 -6.622 483 H LYS 60 H LYS 60 -0.794 21.086 -4.454 484 HA LYS 60 HA LYS 60 -0.263 19.882 -1.960 485 HB2 LYS 60 HB2 LYS 60 1.079 19.915 -4.242 486 HB3 LYS 60 HB3 LYS 60 1.910 21.261 -3.474 487 HG2 LYS 60 HG2 LYS 60 1.663 18.483 -2.338 488 HG3 LYS 60 HG3 LYS 60 3.086 19.145 -3.145 489 HD2 LYS 60 HD2 LYS 60 2.666 21.045 -1.277 490 HD3 LYS 60 HD3 LYS 60 2.044 19.629 -0.427 491 HE2 LYS 60 HE2 LYS 60 4.493 18.930 -1.708 492 HE3 LYS 60 HE3 LYS 60 4.738 20.420 -0.798 493 HZ1 LYS 60 HZ1 LYS 60 4.871 19.195 1.024 494 HZ2 LYS 60 HZ2 LYS 60 3.259 18.721 0.821 495 HZ3 LYS 60 HZ3 LYS 60 4.505 17.782 0.168 496 H LEU 61 H LEU 61 -0.998 21.189 -0.292 497 HA LEU 61 HA LEU 61 0.546 23.662 0.134 498 HB2 LEU 61 HB2 LEU 61 -2.207 23.119 1.217 499 HB3 LEU 61 HB3 LEU 61 -1.318 24.640 1.246 500 HG LEU 61 HG LEU 61 -2.099 23.403 -1.366 501 HD11 LEU 61 HD11 LEU 61 -3.925 24.276 0.665 502 HD12 LEU 61 HD12 LEU 61 -4.003 25.358 -0.726 503 HD13 LEU 61 HD13 LEU 61 -4.262 23.626 -0.939 504 HD21 LEU 61 HD21 LEU 61 -0.658 25.218 -1.653 505 HD22 LEU 61 HD22 LEU 61 -2.264 25.909 -1.883 506 HD23 LEU 61 HD23 LEU 61 -1.414 26.143 -0.355 507 H ASP 62 H ASP 62 1.850 21.600 0.998 508 HA ASP 62 HA ASP 62 1.671 21.804 3.884 509 HB2 ASP 62 HB2 ASP 62 0.306 19.741 2.857 510 HB3 ASP 62 HB3 ASP 62 1.907 19.008 2.900 Start of MODEL 4 1 H1 MET 1 H MET 1 0.043 0.915 1.970 2 HA MET 1 HA MET 1 2.033 0.112 1.206 3 HB2 MET 1 HB2 MET 1 0.891 0.936 -1.466 4 HB3 MET 1 HB3 MET 1 2.421 0.089 -1.278 5 HG2 MET 1 HG2 MET 1 0.296 -1.253 0.139 6 HG3 MET 1 HG3 MET 1 -0.096 -1.038 -1.566 7 HE1 MET 1 HE1 MET 1 -0.411 -3.245 -1.783 8 HE2 MET 1 HE2 MET 1 0.774 -3.802 -2.964 9 HE3 MET 1 HE3 MET 1 0.673 -4.577 -1.383 10 H ASP 2 H ASP 2 1.644 2.716 -1.170 11 HA ASP 2 HA ASP 2 2.821 4.625 -1.554 12 HB2 ASP 2 HB2 ASP 2 2.097 4.983 0.899 13 HB3 ASP 2 HB3 ASP 2 3.761 4.572 1.304 14 H GLU 3 H GLU 3 4.426 4.079 -2.917 15 HA GLU 3 HA GLU 3 7.079 3.748 -1.826 16 HB2 GLU 3 HB2 GLU 3 5.821 1.424 -2.167 17 HB3 GLU 3 HB3 GLU 3 6.352 1.665 -3.825 18 HG2 GLU 3 HG2 GLU 3 8.431 2.105 -1.812 19 HG3 GLU 3 HG3 GLU 3 7.807 0.457 -1.880 20 H THR 4 H THR 4 6.379 5.913 -3.097 21 HA THR 4 HA THR 4 7.963 5.866 -5.490 22 HB THR 4 HB THR 4 5.136 6.826 -5.868 23 HG1 THR 4 HG1 THR 4 4.703 4.725 -5.688 24 HG21 THR 4 HG21 THR 4 7.564 6.580 -7.502 25 HG22 THR 4 HG22 THR 4 6.092 6.000 -8.282 26 HG23 THR 4 HG23 THR 4 6.179 7.657 -7.684 27 H GLY 5 H GLY 5 5.732 7.655 -3.413 28 HA2 GLY 5 HA2 GLY 5 7.536 9.759 -2.945 29 HA3 GLY 5 HA3 GLY 5 6.432 10.251 -4.220 30 H LYS 6 H LYS 6 6.749 9.435 -0.846 31 HA LYS 6 HA LYS 6 3.959 9.812 -0.250 32 HB2 LYS 6 HB2 LYS 6 4.730 9.680 2.125 33 HB3 LYS 6 HB3 LYS 6 5.194 8.297 1.142 34 HG2 LYS 6 HG2 LYS 6 7.311 10.106 0.923 35 HG3 LYS 6 HG3 LYS 6 6.842 10.125 2.624 36 HD2 LYS 6 HD2 LYS 6 7.473 7.970 2.961 37 HD3 LYS 6 HD3 LYS 6 7.025 7.471 1.329 38 HE2 LYS 6 HE2 LYS 6 9.066 9.014 0.678 39 HE3 LYS 6 HE3 LYS 6 9.564 8.658 2.331 40 HZ1 LYS 6 HZ1 LYS 6 10.187 6.626 1.740 41 HZ2 LYS 6 HZ2 LYS 6 8.719 6.307 0.963 42 HZ3 LYS 6 HZ3 LYS 6 9.969 7.081 0.125 43 H GLU 7 H GLU 7 3.015 11.734 -0.191 44 HA GLU 7 HA GLU 7 4.368 13.962 1.110 45 HB2 GLU 7 HB2 GLU 7 3.779 15.506 -0.750 46 HB3 GLU 7 HB3 GLU 7 4.990 14.311 -1.191 47 HG2 GLU 7 HG2 GLU 7 2.736 13.027 -1.936 48 HG3 GLU 7 HG3 GLU 7 2.263 14.704 -2.202 49 H LEU 8 H LEU 8 2.646 15.971 0.727 50 HA LEU 8 HA LEU 8 0.025 14.899 1.538 51 HB2 LEU 8 HB2 LEU 8 -0.117 17.013 2.961 52 HB3 LEU 8 HB3 LEU 8 0.907 15.699 3.536 53 HG LEU 8 HG LEU 8 2.870 16.953 2.585 54 HD11 LEU 8 HD11 LEU 8 2.329 18.582 1.150 55 HD12 LEU 8 HD12 LEU 8 0.695 18.742 1.796 56 HD13 LEU 8 HD13 LEU 8 2.043 19.551 2.596 57 HD21 LEU 8 HD21 LEU 8 3.161 17.599 4.686 58 HD22 LEU 8 HD22 LEU 8 1.987 18.900 4.483 59 HD23 LEU 8 HD23 LEU 8 1.450 17.299 4.992 60 H VAL 9 H VAL 9 -1.802 16.269 1.101 61 HA VAL 9 HA VAL 9 -1.406 18.523 -0.690 62 HB VAL 9 HB VAL 9 -2.869 17.653 -2.436 63 HG11 VAL 9 HG11 VAL 9 -0.553 15.819 -1.828 64 HG12 VAL 9 HG12 VAL 9 -1.343 15.985 -3.395 65 HG13 VAL 9 HG13 VAL 9 -0.472 17.351 -2.698 66 HG21 VAL 9 HG21 VAL 9 -4.238 16.143 -1.145 67 HG22 VAL 9 HG22 VAL 9 -3.470 15.250 -2.457 68 HG23 VAL 9 HG23 VAL 9 -2.848 15.111 -0.813 69 H LEU 10 H LEU 10 -3.483 19.614 -1.205 70 HA LEU 10 HA LEU 10 -5.414 19.254 0.992 71 HB2 LEU 10 HB2 LEU 10 -4.240 21.676 -0.272 72 HB3 LEU 10 HB3 LEU 10 -5.901 21.763 0.309 73 HG LEU 10 HG LEU 10 -3.995 22.557 1.851 74 HD11 LEU 10 HD11 LEU 10 -6.512 21.362 2.319 75 HD12 LEU 10 HD12 LEU 10 -5.415 20.793 3.576 76 HD13 LEU 10 HD13 LEU 10 -5.646 22.523 3.325 77 HD21 LEU 10 HD21 LEU 10 -2.584 20.556 1.504 78 HD22 LEU 10 HD22 LEU 10 -2.953 20.852 3.203 79 HD23 LEU 10 HD23 LEU 10 -3.807 19.584 2.323 80 H ALA 11 H ALA 11 -7.572 19.210 0.533 81 HA ALA 11 HA ALA 11 -8.367 18.440 -2.070 82 HB1 ALA 11 HB1 ALA 11 -9.799 19.013 0.484 83 HB2 ALA 11 HB2 ALA 11 -10.723 18.837 -1.008 84 HB3 ALA 11 HB3 ALA 11 -9.702 17.515 -0.442 85 H LEU 12 H LEU 12 -8.399 19.800 -3.739 86 HA LEU 12 HA LEU 12 -8.899 22.619 -3.392 87 HB2 LEU 12 HB2 LEU 12 -7.270 21.563 -5.036 88 HB3 LEU 12 HB3 LEU 12 -8.683 21.138 -5.999 89 HG LEU 12 HG LEU 12 -8.858 23.904 -5.438 90 HD11 LEU 12 HD11 LEU 12 -6.145 23.083 -6.463 91 HD12 LEU 12 HD12 LEU 12 -6.784 24.726 -6.441 92 HD13 LEU 12 HD13 LEU 12 -6.481 23.877 -4.925 93 HD21 LEU 12 HD21 LEU 12 -9.797 23.303 -7.421 94 HD22 LEU 12 HD22 LEU 12 -8.229 23.848 -8.018 95 HD23 LEU 12 HD23 LEU 12 -8.536 22.127 -7.791 96 H TYR 13 H TYR 13 -10.703 19.805 -4.282 97 HA TYR 13 HA TYR 13 -13.103 21.455 -4.539 98 HB2 TYR 13 HB2 TYR 13 -12.550 21.141 -6.831 99 HB3 TYR 13 HB3 TYR 13 -12.146 19.447 -6.576 100 HD1 TYR 13 HD1 TYR 13 -13.627 18.071 -7.679 101 HD2 TYR 13 HD2 TYR 13 -15.127 21.550 -5.743 102 HE1 TYR 13 HE1 TYR 13 -15.916 17.427 -8.308 103 HE2 TYR 13 HE2 TYR 13 -17.420 20.915 -6.365 104 HH TYR 13 HH TYR 13 -18.682 18.956 -6.993 105 H ASP 14 H ASP 14 -14.842 20.603 -3.555 106 HA ASP 14 HA ASP 14 -14.572 18.407 -1.824 107 HB2 ASP 14 HB2 ASP 14 -17.123 19.676 -2.843 108 HB3 ASP 14 HB3 ASP 14 -16.971 18.659 -1.413 109 H TYR 15 H TYR 15 -14.103 16.457 -2.680 110 HA TYR 15 HA TYR 15 -15.793 15.454 -4.865 111 HB2 TYR 15 HB2 TYR 15 -13.051 15.437 -4.612 112 HB3 TYR 15 HB3 TYR 15 -13.490 13.811 -4.098 113 HD1 TYR 15 HD1 TYR 15 -13.106 16.053 -6.894 114 HD2 TYR 15 HD2 TYR 15 -14.812 12.355 -5.663 115 HE1 TYR 15 HE1 TYR 15 -13.319 15.375 -9.249 116 HE2 TYR 15 HE2 TYR 15 -15.029 11.666 -8.014 117 HH TYR 15 HH TYR 15 -13.651 13.555 -10.618 118 H GLN 16 H GLN 16 -17.226 13.893 -4.494 119 HA GLN 16 HA GLN 16 -17.289 12.669 -1.838 120 HB2 GLN 16 HB2 GLN 16 -19.326 13.098 -3.992 121 HB3 GLN 16 HB3 GLN 16 -19.589 11.852 -2.779 122 HG2 GLN 16 HG2 GLN 16 -20.692 13.952 -2.200 123 HG3 GLN 16 HG3 GLN 16 -19.470 13.496 -1.013 124 HE21 GLN 16 HE21 GLN 16 -18.835 15.400 -0.224 125 HE22 GLN 16 HE22 GLN 16 -18.198 16.702 -1.164 126 H GLU 17 H GLU 17 -16.620 11.929 -5.126 127 HA GLU 17 HA GLU 17 -15.910 10.032 -6.164 128 HB2 GLU 17 HB2 GLU 17 -15.738 8.815 -3.405 129 HB3 GLU 17 HB3 GLU 17 -14.893 8.287 -4.854 130 HG2 GLU 17 HG2 GLU 17 -14.477 10.924 -3.466 131 HG3 GLU 17 HG3 GLU 17 -13.441 9.508 -3.303 132 H LYS 18 H LYS 18 -16.344 7.330 -5.573 133 HA LYS 18 HA LYS 18 -18.996 6.713 -4.863 134 HB2 LYS 18 HB2 LYS 18 -18.613 7.690 -7.568 135 HB3 LYS 18 HB3 LYS 18 -19.246 6.049 -7.564 136 HG2 LYS 18 HG2 LYS 18 -21.270 6.762 -7.021 137 HG3 LYS 18 HG3 LYS 18 -20.642 7.667 -5.641 138 HD2 LYS 18 HD2 LYS 18 -20.663 9.620 -6.758 139 HD3 LYS 18 HD3 LYS 18 -20.089 8.882 -8.255 140 HE2 LYS 18 HE2 LYS 18 -22.313 8.074 -8.750 141 HE3 LYS 18 HE3 LYS 18 -22.909 8.676 -7.204 142 HZ1 LYS 18 HZ1 LYS 18 -21.621 10.685 -8.813 143 HZ2 LYS 18 HZ2 LYS 18 -23.001 10.028 -9.538 144 HZ3 LYS 18 HZ3 LYS 18 -23.106 10.735 -8.004 145 H SER 19 H SER 19 -16.166 5.904 -6.781 146 HA SER 19 HA SER 19 -16.724 3.056 -6.604 147 HB2 SER 19 HB2 SER 19 -15.099 4.753 -8.283 148 HB3 SER 19 HB3 SER 19 -14.130 3.436 -7.624 149 HG SER 19 HG SER 19 -16.570 3.201 -9.056 150 HA PRO 20 HA PRO 20 -14.253 2.158 -3.093 151 HB2 PRO 20 HB2 PRO 20 -13.089 -0.192 -3.798 152 HB3 PRO 20 HB3 PRO 20 -14.805 -0.052 -3.396 153 HG2 PRO 20 HG2 PRO 20 -13.491 -0.148 -6.084 154 HG3 PRO 20 HG3 PRO 20 -14.961 -0.969 -5.527 155 HD2 PRO 20 HD2 PRO 20 -15.029 1.288 -7.023 156 HD3 PRO 20 HD3 PRO 20 -16.267 0.910 -5.807 157 H ARG 21 H ARG 21 -12.705 2.336 -6.210 158 HA ARG 21 HA ARG 21 -10.041 2.434 -5.034 159 HB2 ARG 21 HB2 ARG 21 -9.215 2.448 -7.299 160 HB3 ARG 21 HB3 ARG 21 -10.445 1.199 -7.154 161 HG2 ARG 21 HG2 ARG 21 -11.457 3.809 -8.021 162 HG3 ARG 21 HG3 ARG 21 -10.329 3.040 -9.140 163 HD2 ARG 21 HD2 ARG 21 -12.907 1.917 -8.062 164 HD3 ARG 21 HD3 ARG 21 -12.538 2.349 -9.731 165 HE ARG 21 HE ARG 21 -10.685 0.463 -9.146 166 HH11 ARG 21 HH11 ARG 21 -14.154 0.588 -8.881 167 HH12 ARG 21 HH12 ARG 21 -14.364 -1.114 -9.129 168 HH21 ARG 21 HH21 ARG 21 -10.949 -1.779 -9.474 169 HH22 ARG 21 HH22 ARG 21 -12.541 -2.459 -9.466 170 H GLU 22 H GLU 22 -12.255 4.540 -4.770 171 HA GLU 22 HA GLU 22 -10.691 6.840 -5.742 172 HB2 GLU 22 HB2 GLU 22 -13.639 6.437 -5.354 173 HB3 GLU 22 HB3 GLU 22 -12.954 8.056 -5.323 174 HG2 GLU 22 HG2 GLU 22 -12.018 7.674 -7.567 175 HG3 GLU 22 HG3 GLU 22 -12.791 6.091 -7.596 176 H VAL 23 H VAL 23 -10.766 8.782 -4.363 177 HA VAL 23 HA VAL 23 -10.952 8.088 -1.503 178 HB VAL 23 HB VAL 23 -8.829 9.631 -2.961 179 HG11 VAL 23 HG11 VAL 23 -8.148 9.983 -0.363 180 HG12 VAL 23 HG12 VAL 23 -8.969 11.194 -1.348 181 HG13 VAL 23 HG13 VAL 23 -9.901 10.150 -0.275 182 HG21 VAL 23 HG21 VAL 23 -7.461 7.968 -2.337 183 HG22 VAL 23 HG22 VAL 23 -8.138 7.894 -0.711 184 HG23 VAL 23 HG23 VAL 23 -8.944 7.061 -2.040 185 H THR 24 H THR 24 -12.613 9.143 -0.648 186 HA THR 24 HA THR 24 -13.707 11.521 -1.792 187 HB THR 24 HB THR 24 -14.296 10.228 0.878 188 HG1 THR 24 HG1 THR 24 -15.833 9.106 -0.195 189 HG21 THR 24 HG21 THR 24 -15.718 11.893 1.296 190 HG22 THR 24 HG22 THR 24 -15.060 12.748 -0.098 191 HG23 THR 24 HG23 THR 24 -16.470 11.706 -0.288 192 H MET 25 H MET 25 -13.108 13.553 -1.449 193 HA MET 25 HA MET 25 -11.744 14.223 1.069 194 HB2 MET 25 HB2 MET 25 -10.125 15.557 -0.051 195 HB3 MET 25 HB3 MET 25 -10.149 14.004 -0.876 196 HG2 MET 25 HG2 MET 25 -12.008 15.866 -2.068 197 HG3 MET 25 HG3 MET 25 -10.369 16.512 -2.029 198 HE1 MET 25 HE1 MET 25 -9.704 16.348 -4.802 199 HE2 MET 25 HE2 MET 25 -8.659 16.064 -3.410 200 HE3 MET 25 HE3 MET 25 -8.612 14.963 -4.787 201 H LYS 26 H LYS 26 -11.992 16.394 1.779 202 HA LYS 26 HA LYS 26 -14.320 17.752 0.586 203 HB2 LYS 26 HB2 LYS 26 -13.478 17.312 3.414 204 HB3 LYS 26 HB3 LYS 26 -14.333 18.798 3.025 205 HG2 LYS 26 HG2 LYS 26 -15.775 16.731 1.796 206 HG3 LYS 26 HG3 LYS 26 -15.366 16.157 3.415 207 HD2 LYS 26 HD2 LYS 26 -17.317 17.274 3.859 208 HD3 LYS 26 HD3 LYS 26 -16.151 18.575 4.106 209 HE2 LYS 26 HE2 LYS 26 -17.036 19.768 2.450 210 HE3 LYS 26 HE3 LYS 26 -16.916 18.408 1.335 211 HZ1 LYS 26 HZ1 LYS 26 -19.207 19.190 1.647 212 HZ2 LYS 26 HZ2 LYS 26 -19.014 17.578 2.124 213 HZ3 LYS 26 HZ3 LYS 26 -19.116 18.800 3.291 214 H LYS 27 H LYS 27 -14.006 19.715 -0.228 215 HA LYS 27 HA LYS 27 -11.638 20.940 -0.678 216 HB2 LYS 27 HB2 LYS 27 -13.918 21.620 -1.542 217 HB3 LYS 27 HB3 LYS 27 -14.138 22.506 -0.039 218 HG2 LYS 27 HG2 LYS 27 -12.143 23.848 -0.565 219 HG3 LYS 27 HG3 LYS 27 -12.000 22.993 -2.103 220 HD2 LYS 27 HD2 LYS 27 -13.127 24.971 -2.647 221 HD3 LYS 27 HD3 LYS 27 -14.408 23.762 -2.535 222 HE2 LYS 27 HE2 LYS 27 -15.334 24.726 -0.719 223 HE3 LYS 27 HE3 LYS 27 -13.772 25.161 -0.026 224 HZ1 LYS 27 HZ1 LYS 27 -14.126 27.225 -0.700 225 HZ2 LYS 27 HZ2 LYS 27 -14.115 26.706 -2.311 226 HZ3 LYS 27 HZ3 LYS 27 -15.574 26.784 -1.457 227 H GLY 28 H GLY 28 -10.081 21.215 0.812 228 HA2 GLY 28 HA2 GLY 28 -9.170 22.826 2.373 229 HA3 GLY 28 HA3 GLY 28 -10.750 22.899 3.140 230 H ASP 29 H ASP 29 -9.338 19.864 2.173 231 HA ASP 29 HA ASP 29 -8.853 19.239 5.013 232 HB2 ASP 29 HB2 ASP 29 -9.935 17.243 4.832 233 HB3 ASP 29 HB3 ASP 29 -10.793 18.091 3.549 234 H ILE 30 H ILE 30 -7.483 17.053 5.063 235 HA ILE 30 HA ILE 30 -5.228 17.388 3.197 236 HB ILE 30 HB ILE 30 -5.192 17.806 5.995 237 HG12 ILE 30 HG12 ILE 30 -3.853 18.930 4.198 238 HG13 ILE 30 HG13 ILE 30 -2.906 18.442 5.599 239 HG21 ILE 30 HG21 ILE 30 -3.506 16.207 6.737 240 HG22 ILE 30 HG22 ILE 30 -4.989 15.384 6.253 241 HG23 ILE 30 HG23 ILE 30 -3.590 15.385 5.178 242 HD11 ILE 30 HD11 ILE 30 -1.585 17.179 4.351 243 HD12 ILE 30 HD12 ILE 30 -2.958 16.367 3.600 244 HD13 ILE 30 HD13 ILE 30 -2.365 17.891 2.939 245 H LEU 31 H LEU 31 -4.264 15.548 2.440 246 HA LEU 31 HA LEU 31 -5.232 12.972 3.464 247 HB2 LEU 31 HB2 LEU 31 -4.947 12.476 0.795 248 HB3 LEU 31 HB3 LEU 31 -6.475 12.760 1.626 249 HG LEU 31 HG LEU 31 -4.993 15.104 0.537 250 HD11 LEU 31 HD11 LEU 31 -4.899 13.543 -1.306 251 HD12 LEU 31 HD12 LEU 31 -6.616 13.184 -1.128 252 HD13 LEU 31 HD13 LEU 31 -6.099 14.791 -1.640 253 HD21 LEU 31 HD21 LEU 31 -6.879 15.865 1.550 254 HD22 LEU 31 HD22 LEU 31 -7.560 15.509 -0.037 255 HD23 LEU 31 HD23 LEU 31 -7.763 14.362 1.287 256 H THR 32 H THR 32 -3.866 11.146 2.858 257 HA THR 32 HA THR 32 -1.053 11.961 2.716 258 HB THR 32 HB THR 32 -2.035 9.195 3.392 259 HG1 THR 32 HG1 THR 32 -2.758 9.976 5.212 260 HG21 THR 32 HG21 THR 32 0.467 10.700 4.166 261 HG22 THR 32 HG22 THR 32 0.094 9.019 4.548 262 HG23 THR 32 HG23 THR 32 0.361 9.505 2.873 263 H LEU 33 H LEU 33 -0.158 11.896 0.767 264 HA LEU 33 HA LEU 33 -1.243 10.518 -1.443 265 HB2 LEU 33 HB2 LEU 33 1.229 12.044 -0.876 266 HB3 LEU 33 HB3 LEU 33 1.265 10.952 -2.259 267 HG LEU 33 HG LEU 33 0.699 13.362 -2.750 268 HD11 LEU 33 HD11 LEU 33 -0.529 12.741 -4.560 269 HD12 LEU 33 HD12 LEU 33 0.014 11.147 -4.035 270 HD13 LEU 33 HD13 LEU 33 -1.606 11.709 -3.619 271 HD21 LEU 33 HD21 LEU 33 -1.835 12.571 -1.322 272 HD22 LEU 33 HD22 LEU 33 -0.724 13.870 -0.889 273 HD23 LEU 33 HD23 LEU 33 -1.681 13.984 -2.366 274 H LEU 34 H LEU 34 -0.598 8.650 -2.496 275 HA LEU 34 HA LEU 34 1.183 6.876 -0.959 276 HB2 LEU 34 HB2 LEU 34 -1.501 6.465 -2.071 277 HB3 LEU 34 HB3 LEU 34 -0.358 5.169 -2.414 278 HG LEU 34 HG LEU 34 -0.282 5.909 0.378 279 HD11 LEU 34 HD11 LEU 34 -2.695 4.601 0.433 280 HD12 LEU 34 HD12 LEU 34 -2.445 6.321 0.732 281 HD13 LEU 34 HD13 LEU 34 -2.906 5.763 -0.877 282 HD21 LEU 34 HD21 LEU 34 0.302 3.771 0.434 283 HD22 LEU 34 HD22 LEU 34 -1.312 3.301 -0.099 284 HD23 LEU 34 HD23 LEU 34 -0.051 3.631 -1.288 285 H ASN 35 H ASN 35 -0.245 7.131 -4.222 286 HA ASN 35 HA ASN 35 2.153 5.974 -5.379 287 HB2 ASN 35 HB2 ASN 35 -0.025 5.258 -6.231 288 HB3 ASN 35 HB3 ASN 35 -0.416 6.917 -6.671 289 HD21 ASN 35 HD21 ASN 35 2.610 5.142 -7.063 290 HD22 ASN 35 HD22 ASN 35 2.660 5.258 -8.787 291 H SER 36 H SER 36 0.210 8.801 -6.345 292 HA SER 36 HA SER 36 0.799 10.897 -7.012 293 HB2 SER 36 HB2 SER 36 2.832 10.172 -5.075 294 HB3 SER 36 HB3 SER 36 3.490 11.230 -6.323 295 HG SER 36 HG SER 36 2.055 11.939 -4.260 296 H THR 37 H THR 37 1.539 8.314 -8.483 297 HA THR 37 HA THR 37 3.660 9.335 -10.229 298 HB THR 37 HB THR 37 2.374 6.598 -10.177 299 HG1 THR 37 HG1 THR 37 4.564 7.729 -8.866 300 HG21 THR 37 HG21 THR 37 4.544 6.083 -11.495 301 HG22 THR 37 HG22 THR 37 3.193 6.831 -12.346 302 HG23 THR 37 HG23 THR 37 4.562 7.815 -11.829 303 H ASN 38 H ASN 38 0.268 8.451 -10.207 304 HA ASN 38 HA ASN 38 0.042 9.033 -13.066 305 HB2 ASN 38 HB2 ASN 38 -1.081 7.019 -12.414 306 HB3 ASN 38 HB3 ASN 38 -1.888 7.832 -11.077 307 HD21 ASN 38 HD21 ASN 38 -1.456 8.782 -14.458 308 HD22 ASN 38 HD22 ASN 38 -3.141 8.911 -14.818 309 H LYS 39 H LYS 39 0.074 11.211 -13.307 310 HA LYS 39 HA LYS 39 -0.855 13.172 -11.636 311 HB2 LYS 39 HB2 LYS 39 0.407 13.763 -13.582 312 HB3 LYS 39 HB3 LYS 39 -0.812 13.085 -14.653 313 HG2 LYS 39 HG2 LYS 39 -2.380 14.829 -13.990 314 HG3 LYS 39 HG3 LYS 39 -1.172 15.503 -12.894 315 HD2 LYS 39 HD2 LYS 39 -0.377 15.124 -15.726 316 HD3 LYS 39 HD3 LYS 39 -1.530 16.414 -15.376 317 HE2 LYS 39 HE2 LYS 39 0.337 16.776 -13.417 318 HE3 LYS 39 HE3 LYS 39 1.329 16.215 -14.762 319 HZ1 LYS 39 HZ1 LYS 39 0.243 17.958 -16.136 320 HZ2 LYS 39 HZ2 LYS 39 -0.493 18.556 -14.735 321 HZ3 LYS 39 HZ3 LYS 39 1.193 18.570 -14.877 322 H ASP 40 H ASP 40 -2.697 11.553 -14.214 323 HA ASP 40 HA ASP 40 -5.091 12.887 -14.009 324 HB2 ASP 40 HB2 ASP 40 -4.939 9.897 -14.370 325 HB3 ASP 40 HB3 ASP 40 -6.121 11.014 -15.046 326 H TRP 41 H TRP 41 -3.991 10.119 -12.081 327 HA TRP 41 HA TRP 41 -5.881 10.902 -9.990 328 HB2 TRP 41 HB2 TRP 41 -5.750 8.203 -11.315 329 HB3 TRP 41 HB3 TRP 41 -6.344 8.383 -9.667 330 HD1 TRP 41 HD1 TRP 41 -7.284 9.123 -13.289 331 HE1 TRP 41 HE1 TRP 41 -9.769 9.788 -13.382 332 HE3 TRP 41 HE3 TRP 41 -8.222 9.462 -8.274 333 HZ2 TRP 41 HZ2 TRP 41 -11.851 10.378 -11.569 334 HZ3 TRP 41 HZ3 TRP 41 -10.486 10.083 -7.537 335 HH2 TRP 41 HH2 TRP 41 -12.261 10.532 -9.152 336 H TRP 42 H TRP 42 -4.743 11.179 -8.199 337 HA TRP 42 HA TRP 42 -2.237 9.704 -7.851 338 HB2 TRP 42 HB2 TRP 42 -3.343 12.223 -6.632 339 HB3 TRP 42 HB3 TRP 42 -1.978 11.381 -5.904 340 HD1 TRP 42 HD1 TRP 42 -0.772 10.613 -8.928 341 HE1 TRP 42 HE1 TRP 42 0.545 12.465 -10.135 342 HE3 TRP 42 HE3 TRP 42 -2.522 14.665 -6.349 343 HZ2 TRP 42 HZ2 TRP 42 0.808 15.273 -10.010 344 HZ3 TRP 42 HZ3 TRP 42 -1.687 16.899 -6.954 345 HH2 TRP 42 HH2 TRP 42 -0.055 17.194 -8.747 346 H LYS 43 H LYS 43 -2.504 7.811 -6.853 347 HA LYS 43 HA LYS 43 -4.628 7.110 -5.175 348 HB2 LYS 43 HB2 LYS 43 -3.269 5.426 -6.269 349 HB3 LYS 43 HB3 LYS 43 -1.846 5.945 -5.375 350 HG2 LYS 43 HG2 LYS 43 -3.516 5.373 -3.336 351 HG3 LYS 43 HG3 LYS 43 -4.078 4.221 -4.549 352 HD2 LYS 43 HD2 LYS 43 -1.185 4.325 -4.419 353 HD3 LYS 43 HD3 LYS 43 -1.897 3.922 -2.855 354 HE2 LYS 43 HE2 LYS 43 -1.823 1.828 -3.718 355 HE3 LYS 43 HE3 LYS 43 -3.365 2.323 -4.413 356 HZ1 LYS 43 HZ1 LYS 43 -2.314 2.819 -6.469 357 HZ2 LYS 43 HZ2 LYS 43 -0.767 2.603 -5.818 358 HZ3 LYS 43 HZ3 LYS 43 -1.797 1.275 -6.010 359 H VAL 44 H VAL 44 -5.048 7.452 -3.086 360 HA VAL 44 HA VAL 44 -2.875 8.158 -1.263 361 HB VAL 44 HB VAL 44 -3.986 10.091 -0.378 362 HG11 VAL 44 HG11 VAL 44 -2.696 10.088 -2.702 363 HG12 VAL 44 HG12 VAL 44 -4.261 10.664 -3.275 364 HG13 VAL 44 HG13 VAL 44 -3.400 11.554 -2.020 365 HG21 VAL 44 HG21 VAL 44 -6.177 9.522 -2.373 366 HG22 VAL 44 HG22 VAL 44 -6.290 9.368 -0.620 367 HG23 VAL 44 HG23 VAL 44 -6.074 10.957 -1.353 368 H GLU 45 H GLU 45 -3.690 8.262 1.041 369 HA GLU 45 HA GLU 45 -5.822 6.265 1.431 370 HB2 GLU 45 HB2 GLU 45 -3.828 5.192 2.076 371 HB3 GLU 45 HB3 GLU 45 -3.200 6.638 2.854 372 HG2 GLU 45 HG2 GLU 45 -4.661 6.404 4.690 373 HG3 GLU 45 HG3 GLU 45 -5.627 5.186 3.860 374 H VAL 46 H VAL 46 -7.505 6.870 2.627 375 HA VAL 46 HA VAL 46 -7.193 8.989 4.617 376 HB VAL 46 HB VAL 46 -9.374 10.009 3.791 377 HG11 VAL 46 HG11 VAL 46 -8.256 11.538 2.402 378 HG12 VAL 46 HG12 VAL 46 -7.013 10.919 3.488 379 HG13 VAL 46 HG13 VAL 46 -7.116 10.318 1.833 380 HG21 VAL 46 HG21 VAL 46 -9.799 8.006 2.258 381 HG22 VAL 46 HG22 VAL 46 -10.121 9.612 1.605 382 HG23 VAL 46 HG23 VAL 46 -8.642 8.760 1.160 383 H ASN 47 H ASN 47 -8.315 8.600 6.428 384 HA ASN 47 HA ASN 47 -9.441 7.289 7.943 385 HB2 ASN 47 HB2 ASN 47 -11.946 7.083 7.177 386 HB3 ASN 47 HB3 ASN 47 -11.262 8.662 7.553 387 HD21 ASN 47 HD21 ASN 47 -12.261 6.502 5.006 388 HD22 ASN 47 HD22 ASN 47 -12.362 7.699 3.763 389 H ASP 48 H ASP 48 -7.998 5.456 7.147 390 HA ASP 48 HA ASP 48 -7.685 3.316 6.371 391 HB2 ASP 48 HB2 ASP 48 -9.372 3.360 8.489 392 HB3 ASP 48 HB3 ASP 48 -10.375 2.520 7.309 393 H ARG 49 H ARG 49 -8.755 5.009 4.361 394 HA ARG 49 HA ARG 49 -9.982 2.984 2.670 395 HB2 ARG 49 HB2 ARG 49 -11.436 5.246 3.764 396 HB3 ARG 49 HB3 ARG 49 -11.419 5.282 2.006 397 HG2 ARG 49 HG2 ARG 49 -12.202 2.837 3.563 398 HG3 ARG 49 HG3 ARG 49 -13.358 4.087 3.098 399 HD2 ARG 49 HD2 ARG 49 -11.816 3.413 0.811 400 HD3 ARG 49 HD3 ARG 49 -12.372 1.914 1.555 401 HE ARG 49 HE ARG 49 -13.965 3.837 0.169 402 HH11 ARG 49 HH11 ARG 49 -14.001 1.453 2.705 403 HH12 ARG 49 HH12 ARG 49 -15.702 1.150 2.575 404 HH21 ARG 49 HH21 ARG 49 -16.205 3.447 -0.013 405 HH22 ARG 49 HH22 ARG 49 -16.955 2.284 1.028 406 H GLN 50 H GLN 50 -7.979 3.027 1.584 407 HA GLN 50 HA GLN 50 -7.188 5.524 0.298 408 HB2 GLN 50 HB2 GLN 50 -5.117 4.514 -0.159 409 HB3 GLN 50 HB3 GLN 50 -5.551 3.924 1.439 410 HG2 GLN 50 HG2 GLN 50 -5.209 1.872 0.695 411 HG3 GLN 50 HG3 GLN 50 -6.628 2.066 -0.332 412 HE21 GLN 50 HE21 GLN 50 -3.171 2.846 -0.256 413 HE22 GLN 50 HE22 GLN 50 -2.890 2.546 -1.934 414 H GLY 51 H GLY 51 -6.914 5.717 -1.963 415 HA2 GLY 51 HA2 GLY 51 -7.715 3.634 -3.757 416 HA3 GLY 51 HA3 GLY 51 -8.972 4.847 -3.559 417 H PHE 52 H PHE 52 -8.911 6.564 -4.852 418 HA PHE 52 HA PHE 52 -6.350 7.435 -5.967 419 HB2 PHE 52 HB2 PHE 52 -8.775 6.650 -7.584 420 HB3 PHE 52 HB3 PHE 52 -7.484 7.658 -8.228 421 HD1 PHE 52 HD1 PHE 52 -5.058 6.473 -7.326 422 HD2 PHE 52 HD2 PHE 52 -8.668 4.562 -8.524 423 HE1 PHE 52 HE1 PHE 52 -3.786 4.456 -7.932 424 HE2 PHE 52 HE2 PHE 52 -7.402 2.543 -9.131 425 HZ PHE 52 HZ PHE 52 -4.958 2.487 -8.835 426 H VAL 53 H VAL 53 -6.143 9.569 -5.841 427 HA VAL 53 HA VAL 53 -8.579 11.186 -5.477 428 HB VAL 53 HB VAL 53 -6.379 11.023 -3.824 429 HG11 VAL 53 HG11 VAL 53 -5.063 12.262 -5.526 430 HG12 VAL 53 HG12 VAL 53 -6.174 13.619 -5.343 431 HG13 VAL 53 HG13 VAL 53 -5.181 13.102 -3.980 432 HG21 VAL 53 HG21 VAL 53 -7.722 12.230 -2.512 433 HG22 VAL 53 HG22 VAL 53 -7.727 13.590 -3.634 434 HG23 VAL 53 HG23 VAL 53 -8.852 12.252 -3.866 435 HA PRO 54 HA PRO 54 -7.704 13.173 -9.319 436 HB2 PRO 54 HB2 PRO 54 -9.242 15.382 -8.966 437 HB3 PRO 54 HB3 PRO 54 -9.917 13.788 -9.321 438 HG2 PRO 54 HG2 PRO 54 -9.665 15.195 -6.691 439 HG3 PRO 54 HG3 PRO 54 -11.031 14.268 -7.337 440 HD2 PRO 54 HD2 PRO 54 -9.289 13.235 -5.540 441 HD3 PRO 54 HD3 PRO 54 -10.082 12.243 -6.780 442 H ALA 55 H ALA 55 -5.811 14.120 -9.724 443 HA ALA 55 HA ALA 55 -4.396 15.742 -7.915 444 HB1 ALA 55 HB1 ALA 55 -4.012 15.596 -10.901 445 HB2 ALA 55 HB2 ALA 55 -2.826 16.107 -9.700 446 HB3 ALA 55 HB3 ALA 55 -3.367 14.429 -9.748 447 H ALA 56 H ALA 56 -6.001 16.652 -10.972 448 HA ALA 56 HA ALA 56 -5.631 19.367 -10.903 449 HB1 ALA 56 HB1 ALA 56 -6.663 18.195 -12.780 450 HB2 ALA 56 HB2 ALA 56 -8.118 17.927 -11.821 451 HB3 ALA 56 HB3 ALA 56 -7.646 19.567 -12.268 452 H TYR 57 H TYR 57 -7.912 17.450 -9.055 453 HA TYR 57 HA TYR 57 -9.130 19.853 -7.926 454 HB2 TYR 57 HB2 TYR 57 -9.796 16.918 -7.677 455 HB3 TYR 57 HB3 TYR 57 -10.616 18.172 -6.753 456 HD1 TYR 57 HD1 TYR 57 -11.068 16.128 -9.421 457 HD2 TYR 57 HD2 TYR 57 -11.242 20.275 -8.484 458 HE1 TYR 57 HE1 TYR 57 -12.626 16.479 -11.292 459 HE2 TYR 57 HE2 TYR 57 -12.801 20.637 -10.352 460 HH TYR 57 HH TYR 57 -14.388 18.134 -11.935 461 H VAL 58 H VAL 58 -6.425 19.468 -7.296 462 HA VAL 58 HA VAL 58 -6.623 19.277 -4.395 463 HB VAL 58 HB VAL 58 -5.744 17.066 -5.690 464 HG11 VAL 58 HG11 VAL 58 -3.402 16.946 -5.795 465 HG12 VAL 58 HG12 VAL 58 -3.809 18.487 -6.549 466 HG13 VAL 58 HG13 VAL 58 -3.199 18.449 -4.895 467 HG21 VAL 58 HG21 VAL 58 -4.760 16.394 -3.569 468 HG22 VAL 58 HG22 VAL 58 -4.701 18.077 -3.045 469 HG23 VAL 58 HG23 VAL 58 -6.257 17.286 -3.299 470 H LYS 59 H LYS 59 -4.499 19.956 -3.363 471 HA LYS 59 HA LYS 59 -2.797 21.642 -4.987 472 HB2 LYS 59 HB2 LYS 59 -5.050 22.759 -3.690 473 HB3 LYS 59 HB3 LYS 59 -3.638 23.258 -2.768 474 HG2 LYS 59 HG2 LYS 59 -3.559 23.523 -5.727 475 HG3 LYS 59 HG3 LYS 59 -4.525 24.672 -4.797 476 HD2 LYS 59 HD2 LYS 59 -2.250 24.685 -3.352 477 HD3 LYS 59 HD3 LYS 59 -1.595 24.337 -4.954 478 HE2 LYS 59 HE2 LYS 59 -1.695 26.524 -5.357 479 HE3 LYS 59 HE3 LYS 59 -3.450 26.361 -5.382 480 HZ1 LYS 59 HZ1 LYS 59 -3.227 27.946 -3.791 481 HZ2 LYS 59 HZ2 LYS 59 -3.110 26.580 -2.798 482 HZ3 LYS 59 HZ3 LYS 59 -1.710 27.401 -3.275 483 H LYS 60 H LYS 60 -0.851 21.023 -4.330 484 HA LYS 60 HA LYS 60 -0.309 19.844 -1.822 485 HB2 LYS 60 HB2 LYS 60 0.989 19.810 -4.140 486 HB3 LYS 60 HB3 LYS 60 1.884 21.123 -3.386 487 HG2 LYS 60 HG2 LYS 60 1.545 18.350 -2.260 488 HG3 LYS 60 HG3 LYS 60 2.989 18.977 -3.059 489 HD2 LYS 60 HD2 LYS 60 1.773 20.083 -0.528 490 HD3 LYS 60 HD3 LYS 60 3.182 19.023 -0.605 491 HE2 LYS 60 HE2 LYS 60 3.619 21.190 -2.382 492 HE3 LYS 60 HE3 LYS 60 3.064 21.856 -0.847 493 HZ1 LYS 60 HZ1 LYS 60 4.840 20.059 -0.006 494 HZ2 LYS 60 HZ2 LYS 60 5.540 20.489 -1.485 495 HZ3 LYS 60 HZ3 LYS 60 5.226 21.676 -0.321 496 H LEU 61 H LEU 61 -1.004 21.233 -0.190 497 HA LEU 61 HA LEU 61 0.476 23.762 0.074 498 HB2 LEU 61 HB2 LEU 61 -2.107 22.868 1.342 499 HB3 LEU 61 HB3 LEU 61 -1.289 24.389 1.698 500 HG LEU 61 HG LEU 61 -2.193 23.707 -1.083 501 HD11 LEU 61 HD11 LEU 61 -4.085 25.424 -0.200 502 HD12 LEU 61 HD12 LEU 61 -4.286 23.673 -0.267 503 HD13 LEU 61 HD13 LEU 61 -3.823 24.451 1.247 504 HD21 LEU 61 HD21 LEU 61 -2.141 26.449 0.038 505 HD22 LEU 61 HD22 LEU 61 -0.588 25.670 -0.264 506 HD23 LEU 61 HD23 LEU 61 -1.742 25.876 -1.581 507 H ASP 62 H ASP 62 -1.099 21.641 2.450 508 HA ASP 62 HA ASP 62 1.459 21.080 3.715 509 HB2 ASP 62 HB2 ASP 62 -0.732 22.688 5.016 510 HB3 ASP 62 HB3 ASP 62 0.448 21.789 5.965 Start of MODEL 5 1 H1 MET 1 H MET 1 -0.910 1.794 -0.625 2 HA MET 1 HA MET 1 0.312 -0.654 -1.218 3 HB2 MET 1 HB2 MET 1 -0.025 1.122 -3.641 4 HB3 MET 1 HB3 MET 1 0.865 -0.394 -3.571 5 HG2 MET 1 HG2 MET 1 -1.227 -1.581 -3.086 6 HG3 MET 1 HG3 MET 1 -2.104 -0.058 -3.212 7 HE1 MET 1 HE1 MET 1 -2.118 -3.084 -5.744 8 HE2 MET 1 HE2 MET 1 -0.438 -2.841 -6.223 9 HE3 MET 1 HE3 MET 1 -0.852 -3.014 -4.518 10 H ASP 2 H ASP 2 0.586 2.758 -2.226 11 HA ASP 2 HA ASP 2 2.210 4.314 -1.876 12 HB2 ASP 2 HB2 ASP 2 2.050 3.017 0.504 13 HB3 ASP 2 HB3 ASP 2 3.735 2.719 0.088 14 H GLU 3 H GLU 3 4.260 4.811 -2.647 15 HA GLU 3 HA GLU 3 6.204 2.784 -3.206 16 HB2 GLU 3 HB2 GLU 3 4.546 2.415 -5.030 17 HB3 GLU 3 HB3 GLU 3 4.816 4.068 -5.564 18 HG2 GLU 3 HG2 GLU 3 7.355 2.938 -5.410 19 HG3 GLU 3 HG3 GLU 3 6.334 1.687 -6.117 20 H THR 4 H THR 4 5.204 5.888 -4.655 21 HA THR 4 HA THR 4 7.751 7.043 -3.744 22 HB THR 4 HB THR 4 7.928 6.475 -6.151 23 HG1 THR 4 HG1 THR 4 8.947 8.340 -6.552 24 HG21 THR 4 HG21 THR 4 5.989 8.648 -6.800 25 HG22 THR 4 HG22 THR 4 6.504 7.271 -7.774 26 HG23 THR 4 HG23 THR 4 5.371 7.035 -6.444 27 H GLY 5 H GLY 5 5.212 7.286 -2.498 28 HA2 GLY 5 HA2 GLY 5 4.175 9.900 -3.257 29 HA3 GLY 5 HA3 GLY 5 3.528 8.842 -2.012 30 H LYS 6 H LYS 6 4.234 9.033 0.081 31 HA LYS 6 HA LYS 6 4.969 10.173 1.914 32 HB2 LYS 6 HB2 LYS 6 7.366 10.025 0.125 33 HB3 LYS 6 HB3 LYS 6 7.469 10.920 1.635 34 HG2 LYS 6 HG2 LYS 6 8.269 8.759 2.101 35 HG3 LYS 6 HG3 LYS 6 6.644 8.831 2.787 36 HD2 LYS 6 HD2 LYS 6 5.765 7.679 0.811 37 HD3 LYS 6 HD3 LYS 6 7.391 7.607 0.129 38 HE2 LYS 6 HE2 LYS 6 7.620 6.543 2.701 39 HE3 LYS 6 HE3 LYS 6 6.122 5.874 2.056 40 HZ1 LYS 6 HZ1 LYS 6 8.842 5.668 0.898 41 HZ2 LYS 6 HZ2 LYS 6 7.846 4.411 1.437 42 HZ3 LYS 6 HZ3 LYS 6 7.445 5.266 0.033 43 H GLU 7 H GLU 7 3.324 11.795 0.743 44 HA GLU 7 HA GLU 7 4.481 14.407 1.163 45 HB2 GLU 7 HB2 GLU 7 4.393 13.442 -1.450 46 HB3 GLU 7 HB3 GLU 7 2.984 14.486 -1.325 47 HG2 GLU 7 HG2 GLU 7 5.547 15.531 -0.277 48 HG3 GLU 7 HG3 GLU 7 5.379 15.386 -2.026 49 H LEU 8 H LEU 8 2.716 16.137 0.817 50 HA LEU 8 HA LEU 8 0.085 15.048 1.560 51 HB2 LEU 8 HB2 LEU 8 1.850 16.624 3.158 52 HB3 LEU 8 HB3 LEU 8 0.407 17.570 2.797 53 HG LEU 8 HG LEU 8 -1.004 15.964 3.849 54 HD11 LEU 8 HD11 LEU 8 -0.109 13.894 3.174 55 HD12 LEU 8 HD12 LEU 8 1.454 14.236 3.918 56 HD13 LEU 8 HD13 LEU 8 0.043 13.927 4.931 57 HD21 LEU 8 HD21 LEU 8 -0.507 16.765 5.859 58 HD22 LEU 8 HD22 LEU 8 0.940 15.761 5.956 59 HD23 LEU 8 HD23 LEU 8 1.019 17.352 5.199 60 H VAL 9 H VAL 9 -1.722 16.402 1.064 61 HA VAL 9 HA VAL 9 -1.236 18.703 -0.661 62 HB VAL 9 HB VAL 9 -2.670 17.898 -2.447 63 HG11 VAL 9 HG11 VAL 9 -1.216 16.099 -3.337 64 HG12 VAL 9 HG12 VAL 9 -0.313 17.474 -2.700 65 HG13 VAL 9 HG13 VAL 9 -0.440 15.989 -1.757 66 HG21 VAL 9 HG21 VAL 9 -3.303 15.453 -2.460 67 HG22 VAL 9 HG22 VAL 9 -2.890 15.425 -0.745 68 HG23 VAL 9 HG23 VAL 9 -4.190 16.468 -1.323 69 H LEU 10 H LEU 10 -3.324 19.798 -1.248 70 HA LEU 10 HA LEU 10 -5.239 19.540 0.976 71 HB2 LEU 10 HB2 LEU 10 -4.091 21.894 -0.437 72 HB3 LEU 10 HB3 LEU 10 -5.739 22.008 0.177 73 HG LEU 10 HG LEU 10 -3.896 22.923 1.658 74 HD11 LEU 10 HD11 LEU 10 -5.085 21.026 3.444 75 HD12 LEU 10 HD12 LEU 10 -5.432 22.744 3.245 76 HD13 LEU 10 HD13 LEU 10 -6.274 21.553 2.252 77 HD21 LEU 10 HD21 LEU 10 -2.681 21.304 3.020 78 HD22 LEU 10 HD22 LEU 10 -3.385 19.981 2.092 79 HD23 LEU 10 HD23 LEU 10 -2.284 21.117 1.312 80 H ALA 11 H ALA 11 -7.416 19.536 0.550 81 HA ALA 11 HA ALA 11 -8.238 18.613 -2.005 82 HB1 ALA 11 HB1 ALA 11 -9.729 19.401 0.478 83 HB2 ALA 11 HB2 ALA 11 -10.564 18.911 -0.996 84 HB3 ALA 11 HB3 ALA 11 -9.468 17.790 -0.189 85 H LEU 12 H LEU 12 -8.368 19.870 -3.743 86 HA LEU 12 HA LEU 12 -8.871 22.711 -3.505 87 HB2 LEU 12 HB2 LEU 12 -7.230 21.585 -5.109 88 HB3 LEU 12 HB3 LEU 12 -8.648 21.152 -6.062 89 HG LEU 12 HG LEU 12 -7.385 23.188 -6.831 90 HD11 LEU 12 HD11 LEU 12 -9.276 23.862 -7.799 91 HD12 LEU 12 HD12 LEU 12 -10.077 22.620 -6.837 92 HD13 LEU 12 HD13 LEU 12 -10.017 24.284 -6.255 93 HD21 LEU 12 HD21 LEU 12 -7.593 25.235 -5.641 94 HD22 LEU 12 HD22 LEU 12 -8.679 24.511 -4.455 95 HD23 LEU 12 HD23 LEU 12 -6.981 24.037 -4.501 96 H TYR 13 H TYR 13 -10.590 19.824 -4.426 97 HA TYR 13 HA TYR 13 -13.029 21.428 -4.721 98 HB2 TYR 13 HB2 TYR 13 -12.352 20.958 -6.988 99 HB3 TYR 13 HB3 TYR 13 -12.102 19.257 -6.610 100 HD1 TYR 13 HD1 TYR 13 -14.949 21.523 -5.783 101 HD2 TYR 13 HD2 TYR 13 -13.630 18.073 -7.895 102 HE1 TYR 13 HE1 TYR 13 -17.271 21.043 -6.436 103 HE2 TYR 13 HE2 TYR 13 -15.949 17.584 -8.555 104 HH TYR 13 HH TYR 13 -18.331 19.644 -8.568 105 H ASP 14 H ASP 14 -14.821 20.558 -3.809 106 HA ASP 14 HA ASP 14 -14.482 18.384 -1.992 107 HB2 ASP 14 HB2 ASP 14 -16.205 20.529 -2.169 108 HB3 ASP 14 HB3 ASP 14 -17.248 19.162 -2.554 109 H TYR 15 H TYR 15 -14.127 16.450 -2.966 110 HA TYR 15 HA TYR 15 -16.015 15.563 -5.030 111 HB2 TYR 15 HB2 TYR 15 -13.289 15.393 -4.968 112 HB3 TYR 15 HB3 TYR 15 -13.749 13.806 -4.363 113 HD1 TYR 15 HD1 TYR 15 -14.370 16.161 -7.181 114 HD2 TYR 15 HD2 TYR 15 -14.352 12.118 -5.855 115 HE1 TYR 15 HE1 TYR 15 -14.781 15.409 -9.486 116 HE2 TYR 15 HE2 TYR 15 -14.761 11.355 -8.157 117 HH TYR 15 HH TYR 15 -14.677 13.560 -10.866 118 H GLN 16 H GLN 16 -17.459 13.994 -4.661 119 HA GLN 16 HA GLN 16 -17.532 12.816 -1.985 120 HB2 GLN 16 HB2 GLN 16 -19.625 12.936 -4.162 121 HB3 GLN 16 HB3 GLN 16 -19.858 12.174 -2.594 122 HG2 GLN 16 HG2 GLN 16 -19.104 14.567 -1.742 123 HG3 GLN 16 HG3 GLN 16 -19.741 15.043 -3.315 124 HE21 GLN 16 HE21 GLN 16 -20.716 12.689 -0.842 125 HE22 GLN 16 HE22 GLN 16 -22.345 13.248 -0.710 126 H GLU 17 H GLU 17 -15.852 11.966 -4.405 127 HA GLU 17 HA GLU 17 -15.253 10.052 -5.516 128 HB2 GLU 17 HB2 GLU 17 -14.804 8.209 -4.065 129 HB3 GLU 17 HB3 GLU 17 -14.554 9.679 -3.134 130 HG2 GLU 17 HG2 GLU 17 -16.580 9.392 -1.955 131 HG3 GLU 17 HG3 GLU 17 -17.120 8.123 -3.054 132 H LYS 18 H LYS 18 -16.122 7.391 -5.182 133 HA LYS 18 HA LYS 18 -18.886 7.013 -5.320 134 HB2 LYS 18 HB2 LYS 18 -17.737 8.156 -7.705 135 HB3 LYS 18 HB3 LYS 18 -18.378 6.555 -8.050 136 HG2 LYS 18 HG2 LYS 18 -20.480 7.269 -7.952 137 HG3 LYS 18 HG3 LYS 18 -20.198 8.142 -6.443 138 HD2 LYS 18 HD2 LYS 18 -20.668 9.900 -7.829 139 HD3 LYS 18 HD3 LYS 18 -18.920 9.802 -8.053 140 HE2 LYS 18 HE2 LYS 18 -20.127 8.010 -9.887 141 HE3 LYS 18 HE3 LYS 18 -20.992 9.543 -9.993 142 HZ1 LYS 18 HZ1 LYS 18 -18.820 9.093 -11.374 143 HZ2 LYS 18 HZ2 LYS 18 -19.166 10.630 -10.757 144 HZ3 LYS 18 HZ3 LYS 18 -18.068 9.623 -9.954 145 H SER 19 H SER 19 -15.774 6.030 -6.684 146 HA SER 19 HA SER 19 -16.602 3.227 -6.616 147 HB2 SER 19 HB2 SER 19 -14.815 4.754 -8.246 148 HB3 SER 19 HB3 SER 19 -13.893 3.481 -7.446 149 HG SER 19 HG SER 19 -14.833 2.808 -9.445 150 HA PRO 20 HA PRO 20 -14.417 2.141 -2.972 151 HB2 PRO 20 HB2 PRO 20 -13.278 -0.233 -3.635 152 HB3 PRO 20 HB3 PRO 20 -15.015 -0.042 -3.367 153 HG2 PRO 20 HG2 PRO 20 -13.494 -0.130 -5.944 154 HG3 PRO 20 HG3 PRO 20 -15.030 -0.910 -5.525 155 HD2 PRO 20 HD2 PRO 20 -14.904 1.376 -6.969 156 HD3 PRO 20 HD3 PRO 20 -16.246 1.018 -5.864 157 H ARG 21 H ARG 21 -12.609 2.282 -5.956 158 HA ARG 21 HA ARG 21 -10.060 2.338 -4.533 159 HB2 ARG 21 HB2 ARG 21 -9.018 2.229 -6.703 160 HB3 ARG 21 HB3 ARG 21 -10.292 1.019 -6.629 161 HG2 ARG 21 HG2 ARG 21 -11.128 3.617 -7.702 162 HG3 ARG 21 HG3 ARG 21 -9.930 2.757 -8.671 163 HD2 ARG 21 HD2 ARG 21 -12.638 1.774 -7.793 164 HD3 ARG 21 HD3 ARG 21 -12.099 2.113 -9.438 165 HE ARG 21 HE ARG 21 -10.380 0.198 -8.610 166 HH11 ARG 21 HH11 ARG 21 -13.853 0.445 -8.626 167 HH12 ARG 21 HH12 ARG 21 -14.104 -1.260 -8.803 168 HH21 ARG 21 HH21 ARG 21 -10.698 -2.049 -8.844 169 HH22 ARG 21 HH22 ARG 21 -12.309 -2.678 -8.926 170 H GLU 22 H GLU 22 -12.208 4.501 -4.525 171 HA GLU 22 HA GLU 22 -10.529 6.721 -5.489 172 HB2 GLU 22 HB2 GLU 22 -13.502 6.396 -5.261 173 HB3 GLU 22 HB3 GLU 22 -12.787 8.002 -5.239 174 HG2 GLU 22 HG2 GLU 22 -11.698 7.485 -7.409 175 HG3 GLU 22 HG3 GLU 22 -12.581 5.960 -7.438 176 H VAL 23 H VAL 23 -10.665 8.731 -4.197 177 HA VAL 23 HA VAL 23 -10.942 8.131 -1.323 178 HB VAL 23 HB VAL 23 -8.846 9.699 -2.784 179 HG11 VAL 23 HG11 VAL 23 -8.206 10.308 -0.277 180 HG12 VAL 23 HG12 VAL 23 -9.236 11.345 -1.263 181 HG13 VAL 23 HG13 VAL 23 -9.958 10.244 -0.090 182 HG21 VAL 23 HG21 VAL 23 -7.553 7.996 -2.182 183 HG22 VAL 23 HG22 VAL 23 -7.960 8.248 -0.485 184 HG23 VAL 23 HG23 VAL 23 -8.965 7.201 -1.486 185 H THR 24 H THR 24 -12.183 9.453 -0.134 186 HA THR 24 HA THR 24 -13.854 11.360 -1.402 187 HB THR 24 HB THR 24 -13.395 10.929 1.557 188 HG1 THR 24 HG1 THR 24 -14.991 9.648 -0.371 189 HG21 THR 24 HG21 THR 24 -15.734 12.200 0.130 190 HG22 THR 24 HG22 THR 24 -15.539 12.006 1.872 191 HG23 THR 24 HG23 THR 24 -14.470 13.089 0.980 192 H MET 25 H MET 25 -13.319 13.352 -1.984 193 HA MET 25 HA MET 25 -11.135 14.713 -0.578 194 HB2 MET 25 HB2 MET 25 -11.076 14.423 -3.089 195 HB3 MET 25 HB3 MET 25 -12.435 15.535 -3.175 196 HG2 MET 25 HG2 MET 25 -10.610 16.894 -3.572 197 HG3 MET 25 HG3 MET 25 -10.935 17.147 -1.858 198 HE1 MET 25 HE1 MET 25 -7.742 16.812 -4.088 199 HE2 MET 25 HE2 MET 25 -7.441 15.088 -3.870 200 HE3 MET 25 HE3 MET 25 -8.967 15.636 -4.564 201 H LYS 26 H LYS 26 -11.493 16.428 0.682 202 HA LYS 26 HA LYS 26 -14.149 17.703 0.568 203 HB2 LYS 26 HB2 LYS 26 -12.659 16.557 2.822 204 HB3 LYS 26 HB3 LYS 26 -13.268 18.179 3.124 205 HG2 LYS 26 HG2 LYS 26 -15.156 16.236 1.936 206 HG3 LYS 26 HG3 LYS 26 -14.689 15.986 3.620 207 HD2 LYS 26 HD2 LYS 26 -15.365 18.287 4.138 208 HD3 LYS 26 HD3 LYS 26 -15.846 18.521 2.455 209 HE2 LYS 26 HE2 LYS 26 -17.003 16.200 3.891 210 HE3 LYS 26 HE3 LYS 26 -17.566 17.802 4.366 211 HZ1 LYS 26 HZ1 LYS 26 -17.665 17.938 1.683 212 HZ2 LYS 26 HZ2 LYS 26 -18.070 16.316 1.944 213 HZ3 LYS 26 HZ3 LYS 26 -18.981 17.543 2.672 214 H LYS 27 H LYS 27 -13.668 19.506 -0.589 215 HA LYS 27 HA LYS 27 -11.464 21.004 -0.825 216 HB2 LYS 27 HB2 LYS 27 -13.830 21.442 -1.737 217 HB3 LYS 27 HB3 LYS 27 -14.084 22.380 -0.271 218 HG2 LYS 27 HG2 LYS 27 -12.254 23.854 -0.863 219 HG3 LYS 27 HG3 LYS 27 -11.915 22.886 -2.300 220 HD2 LYS 27 HD2 LYS 27 -14.217 23.397 -3.105 221 HD3 LYS 27 HD3 LYS 27 -14.409 24.485 -1.729 222 HE2 LYS 27 HE2 LYS 27 -12.033 25.316 -2.801 223 HE3 LYS 27 HE3 LYS 27 -12.946 24.854 -4.237 224 HZ1 LYS 27 HZ1 LYS 27 -13.182 27.190 -2.745 225 HZ2 LYS 27 HZ2 LYS 27 -14.108 26.713 -4.078 226 HZ3 LYS 27 HZ3 LYS 27 -14.614 26.320 -2.512 227 H GLY 28 H GLY 28 -10.021 21.521 0.695 228 HA2 GLY 28 HA2 GLY 28 -9.351 23.104 2.362 229 HA3 GLY 28 HA3 GLY 28 -10.980 23.049 3.019 230 H ASP 29 H ASP 29 -9.147 20.195 2.137 231 HA ASP 29 HA ASP 29 -8.720 19.611 4.988 232 HB2 ASP 29 HB2 ASP 29 -9.908 17.771 2.906 233 HB3 ASP 29 HB3 ASP 29 -9.304 17.212 4.463 234 H ILE 30 H ILE 30 -7.393 17.349 4.989 235 HA ILE 30 HA ILE 30 -5.200 17.635 3.048 236 HB ILE 30 HB ILE 30 -5.075 17.968 5.927 237 HG12 ILE 30 HG12 ILE 30 -4.111 19.354 3.948 238 HG13 ILE 30 HG13 ILE 30 -3.159 19.197 5.420 239 HG21 ILE 30 HG21 ILE 30 -3.300 15.878 4.678 240 HG22 ILE 30 HG22 ILE 30 -2.986 16.648 6.233 241 HG23 ILE 30 HG23 ILE 30 -4.431 15.661 6.014 242 HD11 ILE 30 HD11 ILE 30 -2.740 17.249 3.211 243 HD12 ILE 30 HD12 ILE 30 -2.061 18.871 3.081 244 HD13 ILE 30 HD13 ILE 30 -1.610 17.832 4.433 245 H LEU 31 H LEU 31 -4.271 15.761 2.333 246 HA LEU 31 HA LEU 31 -5.249 13.239 3.486 247 HB2 LEU 31 HB2 LEU 31 -4.907 12.650 0.831 248 HB3 LEU 31 HB3 LEU 31 -6.448 12.930 1.639 249 HG LEU 31 HG LEU 31 -4.965 15.240 0.459 250 HD11 LEU 31 HD11 LEU 31 -5.506 14.788 -1.690 251 HD12 LEU 31 HD12 LEU 31 -5.344 13.124 -1.127 252 HD13 LEU 31 HD13 LEU 31 -6.941 13.861 -1.253 253 HD21 LEU 31 HD21 LEU 31 -6.998 16.300 0.511 254 HD22 LEU 31 HD22 LEU 31 -7.910 14.796 0.376 255 HD23 LEU 31 HD23 LEU 31 -7.153 15.234 1.907 256 H THR 32 H THR 32 -3.886 11.387 3.060 257 HA THR 32 HA THR 32 -1.065 12.155 2.927 258 HB THR 32 HB THR 32 -2.127 9.432 3.666 259 HG1 THR 32 HG1 THR 32 -2.804 10.270 5.478 260 HG21 THR 32 HG21 THR 32 -0.015 9.204 4.827 261 HG22 THR 32 HG22 THR 32 0.288 9.665 3.152 262 HG23 THR 32 HG23 THR 32 0.416 10.869 4.434 263 H LEU 33 H LEU 33 -0.198 12.088 0.958 264 HA LEU 33 HA LEU 33 -1.216 10.635 -1.220 265 HB2 LEU 33 HB2 LEU 33 1.277 12.136 -0.642 266 HB3 LEU 33 HB3 LEU 33 1.289 11.037 -2.020 267 HG LEU 33 HG LEU 33 0.783 13.440 -2.547 268 HD11 LEU 33 HD11 LEU 33 -0.460 12.818 -4.333 269 HD12 LEU 33 HD12 LEU 33 -0.047 11.205 -3.750 270 HD13 LEU 33 HD13 LEU 33 -1.615 11.911 -3.356 271 HD21 LEU 33 HD21 LEU 33 -1.559 14.164 -2.125 272 HD22 LEU 33 HD22 LEU 33 -1.752 12.774 -1.057 273 HD23 LEU 33 HD23 LEU 33 -0.580 14.032 -0.664 274 H LEU 34 H LEU 34 -0.572 8.733 -2.202 275 HA LEU 34 HA LEU 34 1.173 6.992 -0.586 276 HB2 LEU 34 HB2 LEU 34 -1.470 6.530 -1.829 277 HB3 LEU 34 HB3 LEU 34 -0.309 5.208 -1.934 278 HG LEU 34 HG LEU 34 -1.003 6.490 0.693 279 HD11 LEU 34 HD11 LEU 34 -3.070 5.692 0.534 280 HD12 LEU 34 HD12 LEU 34 -2.709 4.872 -0.986 281 HD13 LEU 34 HD13 LEU 34 -2.365 4.075 0.549 282 HD21 LEU 34 HD21 LEU 34 0.863 5.173 1.001 283 HD22 LEU 34 HD22 LEU 34 -0.437 4.030 1.341 284 HD23 LEU 34 HD23 LEU 34 0.373 4.004 -0.226 285 H ASN 35 H ASN 35 -0.189 7.203 -3.881 286 HA ASN 35 HA ASN 35 2.223 5.992 -4.962 287 HB2 ASN 35 HB2 ASN 35 0.060 5.245 -5.826 288 HB3 ASN 35 HB3 ASN 35 -0.327 6.889 -6.324 289 HD21 ASN 35 HD21 ASN 35 2.710 5.113 -6.612 290 HD22 ASN 35 HD22 ASN 35 2.787 5.174 -8.337 291 H SER 36 H SER 36 0.291 8.785 -6.042 292 HA SER 36 HA SER 36 0.886 10.862 -6.761 293 HB2 SER 36 HB2 SER 36 2.887 10.199 -4.772 294 HB3 SER 36 HB3 SER 36 3.573 11.206 -6.047 295 HG SER 36 HG SER 36 2.065 11.976 -4.035 296 H THR 37 H THR 37 1.653 8.233 -8.141 297 HA THR 37 HA THR 37 3.794 9.204 -9.891 298 HB THR 37 HB THR 37 2.506 6.470 -9.762 299 HG1 THR 37 HG1 THR 37 3.894 7.169 -7.951 300 HG21 THR 37 HG21 THR 37 3.374 6.958 -11.987 301 HG22 THR 37 HG22 THR 37 4.920 7.448 -11.294 302 HG23 THR 37 HG23 THR 37 4.395 5.769 -11.177 303 H ASN 38 H ASN 38 0.398 8.345 -9.881 304 HA ASN 38 HA ASN 38 0.211 8.842 -12.761 305 HB2 ASN 38 HB2 ASN 38 -0.910 6.837 -12.048 306 HB3 ASN 38 HB3 ASN 38 -1.762 7.704 -10.774 307 HD21 ASN 38 HD21 ASN 38 -1.223 8.481 -14.186 308 HD22 ASN 38 HD22 ASN 38 -2.896 8.600 -14.601 309 H LYS 39 H LYS 39 0.225 11.007 -13.072 310 HA LYS 39 HA LYS 39 -0.717 13.013 -11.462 311 HB2 LYS 39 HB2 LYS 39 0.551 13.559 -13.413 312 HB3 LYS 39 HB3 LYS 39 -0.650 12.835 -14.474 313 HG2 LYS 39 HG2 LYS 39 -2.250 14.586 -13.820 314 HG3 LYS 39 HG3 LYS 39 -0.999 15.328 -12.821 315 HD2 LYS 39 HD2 LYS 39 0.392 15.325 -15.014 316 HD3 LYS 39 HD3 LYS 39 -1.174 15.129 -15.804 317 HE2 LYS 39 HE2 LYS 39 -1.925 17.146 -14.441 318 HE3 LYS 39 HE3 LYS 39 -0.219 17.398 -14.079 319 HZ1 LYS 39 HZ1 LYS 39 -0.036 18.448 -16.002 320 HZ2 LYS 39 HZ2 LYS 39 -0.430 17.023 -16.825 321 HZ3 LYS 39 HZ3 LYS 39 -1.648 18.116 -16.395 322 H ASP 40 H ASP 40 -2.540 11.327 -14.011 323 HA ASP 40 HA ASP 40 -4.940 12.655 -13.851 324 HB2 ASP 40 HB2 ASP 40 -4.542 10.947 -15.525 325 HB3 ASP 40 HB3 ASP 40 -4.464 9.700 -14.284 326 H TRP 41 H TRP 41 -3.884 9.894 -11.878 327 HA TRP 41 HA TRP 41 -5.797 10.729 -9.820 328 HB2 TRP 41 HB2 TRP 41 -5.568 7.991 -11.049 329 HB3 TRP 41 HB3 TRP 41 -6.198 8.211 -9.419 330 HD1 TRP 41 HD1 TRP 41 -7.123 8.668 -13.070 331 HE1 TRP 41 HE1 TRP 41 -9.610 9.309 -13.234 332 HE3 TRP 41 HE3 TRP 41 -8.084 9.467 -8.113 333 HZ2 TRP 41 HZ2 TRP 41 -11.702 10.057 -11.493 334 HZ3 TRP 41 HZ3 TRP 41 -10.354 10.144 -7.446 335 HH2 TRP 41 HH2 TRP 41 -12.124 10.432 -9.102 336 H TRP 42 H TRP 42 -4.690 11.106 -8.028 337 HA TRP 42 HA TRP 42 -2.153 9.712 -7.588 338 HB2 TRP 42 HB2 TRP 42 -3.345 12.250 -6.506 339 HB3 TRP 42 HB3 TRP 42 -2.000 11.466 -5.681 340 HD1 TRP 42 HD1 TRP 42 -0.713 10.590 -8.673 341 HE1 TRP 42 HE1 TRP 42 0.652 12.408 -9.881 342 HE3 TRP 42 HE3 TRP 42 -2.487 14.707 -6.214 343 HZ2 TRP 42 HZ2 TRP 42 0.939 15.215 -9.801 344 HZ3 TRP 42 HZ3 TRP 42 -1.615 16.921 -6.840 345 HH2 TRP 42 HH2 TRP 42 0.063 17.167 -8.596 346 H LYS 43 H LYS 43 -2.435 7.826 -6.568 347 HA LYS 43 HA LYS 43 -4.552 7.160 -4.867 348 HB2 LYS 43 HB2 LYS 43 -3.195 5.453 -5.927 349 HB3 LYS 43 HB3 LYS 43 -1.769 5.995 -5.051 350 HG2 LYS 43 HG2 LYS 43 -3.442 5.468 -2.996 351 HG3 LYS 43 HG3 LYS 43 -3.987 4.278 -4.181 352 HD2 LYS 43 HD2 LYS 43 -1.061 4.575 -3.751 353 HD3 LYS 43 HD3 LYS 43 -2.003 3.776 -2.490 354 HE2 LYS 43 HE2 LYS 43 -1.857 1.909 -3.690 355 HE3 LYS 43 HE3 LYS 43 -2.917 2.669 -4.876 356 HZ1 LYS 43 HZ1 LYS 43 0.049 2.828 -4.881 357 HZ2 LYS 43 HZ2 LYS 43 -0.877 1.825 -5.880 358 HZ3 LYS 43 HZ3 LYS 43 -0.985 3.506 -6.036 359 H VAL 44 H VAL 44 -4.954 7.505 -2.771 360 HA VAL 44 HA VAL 44 -2.775 8.303 -0.990 361 HB VAL 44 HB VAL 44 -3.932 10.213 -0.120 362 HG11 VAL 44 HG11 VAL 44 -3.431 11.668 -1.797 363 HG12 VAL 44 HG12 VAL 44 -2.688 10.215 -2.467 364 HG13 VAL 44 HG13 VAL 44 -4.284 10.725 -3.020 365 HG21 VAL 44 HG21 VAL 44 -6.066 10.993 -1.091 366 HG22 VAL 44 HG22 VAL 44 -6.145 9.513 -2.047 367 HG23 VAL 44 HG23 VAL 44 -6.214 9.431 -0.287 368 H GLU 45 H GLU 45 -3.654 8.510 1.329 369 HA GLU 45 HA GLU 45 -5.661 6.399 1.780 370 HB2 GLU 45 HB2 GLU 45 -3.574 5.480 2.435 371 HB3 GLU 45 HB3 GLU 45 -3.088 6.965 3.242 372 HG2 GLU 45 HG2 GLU 45 -4.504 6.586 5.055 373 HG3 GLU 45 HG3 GLU 45 -5.458 5.392 4.177 374 H VAL 46 H VAL 46 -7.410 7.038 2.841 375 HA VAL 46 HA VAL 46 -7.199 9.187 4.820 376 HB VAL 46 HB VAL 46 -9.419 10.088 3.915 377 HG11 VAL 46 HG11 VAL 46 -7.130 11.153 3.737 378 HG12 VAL 46 HG12 VAL 46 -7.057 10.503 2.099 379 HG13 VAL 46 HG13 VAL 46 -8.317 11.658 2.534 380 HG21 VAL 46 HG21 VAL 46 -8.527 8.987 1.283 381 HG22 VAL 46 HG22 VAL 46 -9.555 8.018 2.339 382 HG23 VAL 46 HG23 VAL 46 -10.111 9.591 1.767 383 H ASN 47 H ASN 47 -8.350 8.804 6.615 384 HA ASN 47 HA ASN 47 -9.469 7.494 8.136 385 HB2 ASN 47 HB2 ASN 47 -11.946 7.173 7.305 386 HB3 ASN 47 HB3 ASN 47 -11.331 8.782 7.673 387 HD21 ASN 47 HD21 ASN 47 -12.211 6.555 5.148 388 HD22 ASN 47 HD22 ASN 47 -12.306 7.722 3.878 389 H ASP 48 H ASP 48 -7.933 5.701 7.399 390 HA ASP 48 HA ASP 48 -7.526 3.556 6.679 391 HB2 ASP 48 HB2 ASP 48 -9.033 3.497 8.825 392 HB3 ASP 48 HB3 ASP 48 -10.251 2.868 7.719 393 H ARG 49 H ARG 49 -8.639 5.150 4.615 394 HA ARG 49 HA ARG 49 -9.785 3.035 2.976 395 HB2 ARG 49 HB2 ARG 49 -11.308 5.293 3.978 396 HB3 ARG 49 HB3 ARG 49 -11.270 5.275 2.220 397 HG2 ARG 49 HG2 ARG 49 -12.009 2.857 3.839 398 HG3 ARG 49 HG3 ARG 49 -13.191 4.065 3.332 399 HD2 ARG 49 HD2 ARG 49 -11.620 3.375 1.073 400 HD3 ARG 49 HD3 ARG 49 -12.131 1.879 1.854 401 HE ARG 49 HE ARG 49 -13.765 3.659 0.367 402 HH11 ARG 49 HH11 ARG 49 -13.787 1.541 3.130 403 HH12 ARG 49 HH12 ARG 49 -15.488 1.227 3.040 404 HH21 ARG 49 HH21 ARG 49 -16.006 3.254 0.238 405 HH22 ARG 49 HH22 ARG 49 -16.749 2.201 1.394 406 H GLN 50 H GLN 50 -7.754 3.101 1.930 407 HA GLN 50 HA GLN 50 -6.989 5.569 0.585 408 HB2 GLN 50 HB2 GLN 50 -4.925 4.516 0.094 409 HB3 GLN 50 HB3 GLN 50 -5.328 4.041 1.738 410 HG2 GLN 50 HG2 GLN 50 -4.722 2.018 0.943 411 HG3 GLN 50 HG3 GLN 50 -6.420 1.985 0.467 412 HE21 GLN 50 HE21 GLN 50 -3.172 2.717 -0.680 413 HE22 GLN 50 HE22 GLN 50 -3.482 2.363 -2.343 414 H GLY 51 H GLY 51 -6.892 5.834 -1.636 415 HA2 GLY 51 HA2 GLY 51 -7.645 3.691 -3.419 416 HA3 GLY 51 HA3 GLY 51 -8.883 4.925 -3.232 417 H PHE 52 H PHE 52 -8.823 6.565 -4.613 418 HA PHE 52 HA PHE 52 -6.257 7.466 -5.678 419 HB2 PHE 52 HB2 PHE 52 -8.515 6.332 -7.292 420 HB3 PHE 52 HB3 PHE 52 -7.489 7.585 -7.983 421 HD1 PHE 52 HD1 PHE 52 -7.906 4.125 -7.519 422 HD2 PHE 52 HD2 PHE 52 -4.920 7.143 -7.831 423 HE1 PHE 52 HE1 PHE 52 -6.248 2.416 -8.139 424 HE2 PHE 52 HE2 PHE 52 -3.258 5.439 -8.453 425 HZ PHE 52 HZ PHE 52 -3.921 3.072 -8.608 426 H VAL 53 H VAL 53 -6.139 9.607 -5.616 427 HA VAL 53 HA VAL 53 -8.651 11.141 -5.475 428 HB VAL 53 HB VAL 53 -6.416 11.155 -3.755 429 HG11 VAL 53 HG11 VAL 53 -5.327 12.663 -5.364 430 HG12 VAL 53 HG12 VAL 53 -6.692 13.772 -5.230 431 HG13 VAL 53 HG13 VAL 53 -5.667 13.462 -3.829 432 HG21 VAL 53 HG21 VAL 53 -7.776 12.454 -2.400 433 HG22 VAL 53 HG22 VAL 53 -8.500 13.302 -3.766 434 HG23 VAL 53 HG23 VAL 53 -8.945 11.629 -3.431 435 HA PRO 54 HA PRO 54 -7.594 13.086 -9.285 436 HB2 PRO 54 HB2 PRO 54 -9.110 15.324 -9.039 437 HB3 PRO 54 HB3 PRO 54 -9.796 13.733 -9.387 438 HG2 PRO 54 HG2 PRO 54 -9.624 15.193 -6.779 439 HG3 PRO 54 HG3 PRO 54 -10.979 14.271 -7.459 440 HD2 PRO 54 HD2 PRO 54 -9.324 13.252 -5.573 441 HD3 PRO 54 HD3 PRO 54 -10.083 12.245 -6.822 442 H ALA 55 H ALA 55 -5.679 14.006 -9.646 443 HA ALA 55 HA ALA 55 -4.311 15.646 -7.813 444 HB1 ALA 55 HB1 ALA 55 -3.802 15.449 -10.777 445 HB2 ALA 55 HB2 ALA 55 -2.657 15.930 -9.524 446 HB3 ALA 55 HB3 ALA 55 -3.245 14.268 -9.591 447 H ALA 56 H ALA 56 -5.800 16.501 -10.942 448 HA ALA 56 HA ALA 56 -5.386 19.211 -10.934 449 HB1 ALA 56 HB1 ALA 56 -6.383 18.001 -12.808 450 HB2 ALA 56 HB2 ALA 56 -7.872 17.791 -11.886 451 HB3 ALA 56 HB3 ALA 56 -7.352 19.407 -12.366 452 H TYR 57 H TYR 57 -7.738 17.379 -9.093 453 HA TYR 57 HA TYR 57 -8.971 19.824 -8.079 454 HB2 TYR 57 HB2 TYR 57 -9.647 16.900 -7.786 455 HB3 TYR 57 HB3 TYR 57 -10.454 18.151 -6.847 456 HD1 TYR 57 HD1 TYR 57 -11.020 20.280 -8.617 457 HD2 TYR 57 HD2 TYR 57 -11.011 16.110 -9.464 458 HE1 TYR 57 HE1 TYR 57 -12.594 20.659 -10.469 459 HE2 TYR 57 HE2 TYR 57 -12.584 16.478 -11.319 460 HH TYR 57 HH TYR 57 -13.094 18.748 -12.877 461 H VAL 58 H VAL 58 -6.282 19.468 -7.375 462 HA VAL 58 HA VAL 58 -6.543 19.391 -4.474 463 HB VAL 58 HB VAL 58 -5.651 17.126 -5.645 464 HG11 VAL 58 HG11 VAL 58 -3.317 16.993 -5.756 465 HG12 VAL 58 HG12 VAL 58 -3.702 18.522 -6.546 466 HG13 VAL 58 HG13 VAL 58 -3.099 18.513 -4.889 467 HG21 VAL 58 HG21 VAL 58 -6.157 17.628 -3.228 468 HG22 VAL 58 HG22 VAL 58 -4.839 16.490 -3.506 469 HG23 VAL 58 HG23 VAL 58 -4.484 18.161 -3.070 470 H LYS 59 H LYS 59 -4.378 20.051 -3.446 471 HA LYS 59 HA LYS 59 -2.688 21.714 -5.105 472 HB2 LYS 59 HB2 LYS 59 -4.898 22.943 -4.144 473 HB3 LYS 59 HB3 LYS 59 -3.798 23.192 -2.794 474 HG2 LYS 59 HG2 LYS 59 -2.586 24.708 -3.904 475 HG3 LYS 59 HG3 LYS 59 -2.633 23.789 -5.410 476 HD2 LYS 59 HD2 LYS 59 -3.810 25.782 -5.852 477 HD3 LYS 59 HD3 LYS 59 -5.050 24.547 -5.621 478 HE2 LYS 59 HE2 LYS 59 -5.501 25.316 -3.406 479 HE3 LYS 59 HE3 LYS 59 -4.106 26.393 -3.435 480 HZ1 LYS 59 HZ1 LYS 59 -5.960 26.873 -5.576 481 HZ2 LYS 59 HZ2 LYS 59 -6.647 27.098 -4.046 482 HZ3 LYS 59 HZ3 LYS 59 -5.261 27.963 -4.487 483 H LYS 60 H LYS 60 -0.732 21.123 -4.455 484 HA LYS 60 HA LYS 60 -0.164 19.952 -1.951 485 HB2 LYS 60 HB2 LYS 60 1.125 19.891 -4.249 486 HB3 LYS 60 HB3 LYS 60 1.978 21.270 -3.569 487 HG2 LYS 60 HG2 LYS 60 1.715 18.740 -2.002 488 HG3 LYS 60 HG3 LYS 60 2.947 18.897 -3.256 489 HD2 LYS 60 HD2 LYS 60 2.811 21.185 -1.438 490 HD3 LYS 60 HD3 LYS 60 3.231 19.667 -0.642 491 HE2 LYS 60 HE2 LYS 60 4.994 19.332 -2.374 492 HE3 LYS 60 HE3 LYS 60 4.628 20.943 -2.990 493 HZ1 LYS 60 HZ1 LYS 60 5.973 21.787 -1.469 494 HZ2 LYS 60 HZ2 LYS 60 5.028 21.131 -0.228 495 HZ3 LYS 60 HZ3 LYS 60 6.316 20.241 -0.871 496 H LEU 61 H LEU 61 -0.872 21.325 -0.312 497 HA LEU 61 HA LEU 61 0.691 23.803 0.011 498 HB2 LEU 61 HB2 LEU 61 -1.996 23.208 1.232 499 HB3 LEU 61 HB3 LEU 61 -1.127 24.741 1.254 500 HG LEU 61 HG LEU 61 -2.103 23.491 -1.301 501 HD11 LEU 61 HD11 LEU 61 -4.191 23.864 -0.632 502 HD12 LEU 61 HD12 LEU 61 -3.657 24.708 0.822 503 HD13 LEU 61 HD13 LEU 61 -3.807 25.584 -0.702 504 HD21 LEU 61 HD21 LEU 61 -2.134 26.087 -1.766 505 HD22 LEU 61 HD22 LEU 61 -0.946 26.101 -0.463 506 HD23 LEU 61 HD23 LEU 61 -0.650 25.145 -1.916 507 H ASP 62 H ASP 62 1.993 21.639 0.807 508 HA ASP 62 HA ASP 62 2.065 21.955 3.691 509 HB2 ASP 62 HB2 ASP 62 0.643 19.825 2.683 510 HB3 ASP 62 HB3 ASP 62 2.234 19.122 2.959 Start of MODEL 6 1 H1 MET 1 H MET 1 -0.541 -0.593 -0.826 2 HA MET 1 HA MET 1 1.887 -0.881 -1.657 3 HB2 MET 1 HB2 MET 1 -0.151 0.678 -3.252 4 HB3 MET 1 HB3 MET 1 1.320 -0.004 -3.933 5 HG2 MET 1 HG2 MET 1 0.357 -2.210 -2.826 6 HG3 MET 1 HG3 MET 1 -1.163 -1.346 -3.042 7 HE1 MET 1 HE1 MET 1 -0.296 -4.002 -3.972 8 HE2 MET 1 HE2 MET 1 -0.758 -4.168 -5.666 9 HE3 MET 1 HE3 MET 1 0.944 -4.024 -5.226 10 H ASP 2 H ASP 2 0.624 2.326 -2.516 11 HA ASP 2 HA ASP 2 1.544 4.409 -2.397 12 HB2 ASP 2 HB2 ASP 2 3.820 3.423 -0.719 13 HB3 ASP 2 HB3 ASP 2 2.964 4.961 -0.646 14 H GLU 3 H GLU 3 4.424 2.321 -2.164 15 HA GLU 3 HA GLU 3 6.097 1.899 -3.670 16 HB2 GLU 3 HB2 GLU 3 4.087 2.126 -5.349 17 HB3 GLU 3 HB3 GLU 3 4.846 3.664 -5.736 18 HG2 GLU 3 HG2 GLU 3 6.912 1.785 -5.755 19 HG3 GLU 3 HG3 GLU 3 5.555 1.013 -6.574 20 H THR 4 H THR 4 4.850 5.223 -3.883 21 HA THR 4 HA THR 4 7.313 6.302 -2.888 22 HB THR 4 HB THR 4 6.593 7.192 -5.672 23 HG1 THR 4 HG1 THR 4 7.834 5.643 -6.502 24 HG21 THR 4 HG21 THR 4 8.913 7.572 -3.807 25 HG22 THR 4 HG22 THR 4 9.106 7.783 -5.548 26 HG23 THR 4 HG23 THR 4 7.962 8.788 -4.659 27 H GLY 5 H GLY 5 5.406 6.839 -1.452 28 HA2 GLY 5 HA2 GLY 5 3.794 9.072 -2.446 29 HA3 GLY 5 HA3 GLY 5 3.537 8.199 -0.943 30 H LYS 6 H LYS 6 4.400 8.969 0.912 31 HA LYS 6 HA LYS 6 5.203 10.566 2.333 32 HB2 LYS 6 HB2 LYS 6 7.416 10.063 0.386 33 HB3 LYS 6 HB3 LYS 6 7.611 11.336 1.584 34 HG2 LYS 6 HG2 LYS 6 8.576 9.501 2.605 35 HG3 LYS 6 HG3 LYS 6 6.951 9.524 3.293 36 HD2 LYS 6 HD2 LYS 6 6.254 7.846 1.622 37 HD3 LYS 6 HD3 LYS 6 7.910 7.792 1.014 38 HE2 LYS 6 HE2 LYS 6 8.416 6.277 2.555 39 HE3 LYS 6 HE3 LYS 6 8.020 7.440 3.820 40 HZ1 LYS 6 HZ1 LYS 6 6.307 5.356 2.627 41 HZ2 LYS 6 HZ2 LYS 6 6.630 5.661 4.260 42 HZ3 LYS 6 HZ3 LYS 6 5.619 6.701 3.389 43 H GLU 7 H GLU 7 3.399 11.928 1.368 44 HA GLU 7 HA GLU 7 4.376 14.558 0.956 45 HB2 GLU 7 HB2 GLU 7 3.933 12.970 -1.401 46 HB3 GLU 7 HB3 GLU 7 2.783 14.299 -1.358 47 HG2 GLU 7 HG2 GLU 7 5.209 15.455 -0.664 48 HG3 GLU 7 HG3 GLU 7 5.605 14.318 -1.951 49 H LEU 8 H LEU 8 2.588 16.134 0.659 50 HA LEU 8 HA LEU 8 -0.020 15.074 1.500 51 HB2 LEU 8 HB2 LEU 8 1.775 16.671 3.054 52 HB3 LEU 8 HB3 LEU 8 0.313 17.596 2.716 53 HG LEU 8 HG LEU 8 -1.055 15.983 3.811 54 HD11 LEU 8 HD11 LEU 8 0.010 13.958 4.868 55 HD12 LEU 8 HD12 LEU 8 -0.129 13.924 3.110 56 HD13 LEU 8 HD13 LEU 8 1.424 14.282 3.865 57 HD21 LEU 8 HD21 LEU 8 0.864 15.789 5.907 58 HD22 LEU 8 HD22 LEU 8 1.048 17.353 5.112 59 HD23 LEU 8 HD23 LEU 8 -0.518 16.876 5.768 60 H VAL 9 H VAL 9 -1.825 16.406 0.983 61 HA VAL 9 HA VAL 9 -1.347 18.705 -0.748 62 HB VAL 9 HB VAL 9 -2.778 17.892 -2.529 63 HG11 VAL 9 HG11 VAL 9 -0.556 15.982 -1.819 64 HG12 VAL 9 HG12 VAL 9 -1.337 16.064 -3.398 65 HG13 VAL 9 HG13 VAL 9 -0.430 17.449 -2.790 66 HG21 VAL 9 HG21 VAL 9 -3.013 15.426 -0.817 67 HG22 VAL 9 HG22 VAL 9 -4.306 16.482 -1.385 68 HG23 VAL 9 HG23 VAL 9 -3.438 15.458 -2.529 69 H LEU 10 H LEU 10 -3.449 19.783 -1.345 70 HA LEU 10 HA LEU 10 -5.362 19.524 0.881 71 HB2 LEU 10 HB2 LEU 10 -4.179 21.883 -0.483 72 HB3 LEU 10 HB3 LEU 10 -5.842 22.007 0.087 73 HG LEU 10 HG LEU 10 -4.076 22.906 1.638 74 HD11 LEU 10 HD11 LEU 10 -5.410 20.737 3.128 75 HD12 LEU 10 HD12 LEU 10 -5.406 22.478 3.410 76 HD13 LEU 10 HD13 LEU 10 -6.454 21.788 2.171 77 HD21 LEU 10 HD21 LEU 10 -2.408 21.146 1.258 78 HD22 LEU 10 HD22 LEU 10 -2.811 21.315 2.967 79 HD23 LEU 10 HD23 LEU 10 -3.477 19.976 2.032 80 H ALA 11 H ALA 11 -7.548 19.590 0.445 81 HA ALA 11 HA ALA 11 -8.360 18.682 -2.125 82 HB1 ALA 11 HB1 ALA 11 -9.618 19.122 0.486 83 HB2 ALA 11 HB2 ALA 11 -10.693 19.348 -0.894 84 HB3 ALA 11 HB3 ALA 11 -9.843 17.818 -0.680 85 H LEU 12 H LEU 12 -8.324 20.019 -3.822 86 HA LEU 12 HA LEU 12 -8.826 22.839 -3.568 87 HB2 LEU 12 HB2 LEU 12 -7.228 21.723 -5.195 88 HB3 LEU 12 HB3 LEU 12 -8.653 21.263 -6.124 89 HG LEU 12 HG LEU 12 -8.173 24.140 -5.460 90 HD11 LEU 12 HD11 LEU 12 -6.633 24.474 -7.113 91 HD12 LEU 12 HD12 LEU 12 -6.132 22.880 -6.548 92 HD13 LEU 12 HD13 LEU 12 -7.111 23.031 -8.007 93 HD21 LEU 12 HD21 LEU 12 -9.124 23.808 -8.051 94 HD22 LEU 12 HD22 LEU 12 -9.967 22.581 -7.105 95 HD23 LEU 12 HD23 LEU 12 -10.059 24.277 -6.631 96 H TYR 13 H TYR 13 -10.667 20.017 -4.366 97 HA TYR 13 HA TYR 13 -13.058 21.679 -4.621 98 HB2 TYR 13 HB2 TYR 13 -12.538 21.330 -6.915 99 HB3 TYR 13 HB3 TYR 13 -12.141 19.637 -6.643 100 HD1 TYR 13 HD1 TYR 13 -15.113 21.633 -5.589 101 HD2 TYR 13 HD2 TYR 13 -13.630 18.393 -7.914 102 HE1 TYR 13 HE1 TYR 13 -17.418 21.005 -6.172 103 HE2 TYR 13 HE2 TYR 13 -15.931 17.757 -8.505 104 HH TYR 13 HH TYR 13 -18.297 19.281 -8.596 105 H ASP 14 H ASP 14 -14.761 20.870 -3.556 106 HA ASP 14 HA ASP 14 -14.478 18.662 -1.839 107 HB2 ASP 14 HB2 ASP 14 -16.203 20.757 -1.978 108 HB3 ASP 14 HB3 ASP 14 -17.236 19.448 -2.546 109 H TYR 15 H TYR 15 -14.147 16.681 -2.660 110 HA TYR 15 HA TYR 15 -15.965 15.734 -4.773 111 HB2 TYR 15 HB2 TYR 15 -13.229 15.704 -4.765 112 HB3 TYR 15 HB3 TYR 15 -13.602 14.091 -4.168 113 HD1 TYR 15 HD1 TYR 15 -14.186 12.390 -5.659 114 HD2 TYR 15 HD2 TYR 15 -14.351 16.439 -6.955 115 HE1 TYR 15 HE1 TYR 15 -14.604 11.630 -7.961 116 HE2 TYR 15 HE2 TYR 15 -14.771 15.691 -9.260 117 HH TYR 15 HH TYR 15 -14.948 12.234 -10.065 118 H GLN 16 H GLN 16 -17.410 14.224 -4.281 119 HA GLN 16 HA GLN 16 -17.264 12.951 -1.652 120 HB2 GLN 16 HB2 GLN 16 -19.445 13.623 -3.550 121 HB3 GLN 16 HB3 GLN 16 -19.663 12.176 -2.573 122 HG2 GLN 16 HG2 GLN 16 -20.614 14.342 -1.666 123 HG3 GLN 16 HG3 GLN 16 -19.623 13.379 -0.572 124 HE21 GLN 16 HE21 GLN 16 -18.463 14.652 0.670 125 HE22 GLN 16 HE22 GLN 16 -17.635 16.085 0.175 126 H GLU 17 H GLU 17 -15.731 12.169 -4.155 127 HA GLU 17 HA GLU 17 -15.190 10.296 -5.358 128 HB2 GLU 17 HB2 GLU 17 -14.721 8.393 -4.010 129 HB3 GLU 17 HB3 GLU 17 -14.463 9.804 -2.995 130 HG2 GLU 17 HG2 GLU 17 -16.439 9.436 -1.788 131 HG3 GLU 17 HG3 GLU 17 -17.052 8.294 -2.982 132 H LYS 18 H LYS 18 -16.097 7.646 -5.156 133 HA LYS 18 HA LYS 18 -18.878 7.335 -5.242 134 HB2 LYS 18 HB2 LYS 18 -19.055 7.047 -7.781 135 HB3 LYS 18 HB3 LYS 18 -19.036 8.690 -7.155 136 HG2 LYS 18 HG2 LYS 18 -16.775 9.003 -7.812 137 HG3 LYS 18 HG3 LYS 18 -16.585 7.289 -8.192 138 HD2 LYS 18 HD2 LYS 18 -18.578 9.052 -9.599 139 HD3 LYS 18 HD3 LYS 18 -16.914 8.863 -10.159 140 HE2 LYS 18 HE2 LYS 18 -18.910 6.632 -9.781 141 HE3 LYS 18 HE3 LYS 18 -18.455 7.351 -11.325 142 HZ1 LYS 18 HZ1 LYS 18 -17.103 5.360 -9.784 143 HZ2 LYS 18 HZ2 LYS 18 -16.889 5.796 -11.405 144 HZ3 LYS 18 HZ3 LYS 18 -16.079 6.646 -10.187 145 H SER 19 H SER 19 -15.798 6.336 -6.655 146 HA SER 19 HA SER 19 -16.695 3.557 -6.737 147 HB2 SER 19 HB2 SER 19 -14.847 5.117 -8.260 148 HB3 SER 19 HB3 SER 19 -13.965 3.788 -7.507 149 HG SER 19 HG SER 19 -15.011 3.381 -9.621 150 HA PRO 20 HA PRO 20 -14.595 2.216 -3.128 151 HB2 PRO 20 HB2 PRO 20 -13.477 -0.132 -3.907 152 HB3 PRO 20 HB3 PRO 20 -15.216 0.070 -3.663 153 HG2 PRO 20 HG2 PRO 20 -13.643 0.109 -6.210 154 HG3 PRO 20 HG3 PRO 20 -15.199 -0.670 -5.868 155 HD2 PRO 20 HD2 PRO 20 -15.010 1.695 -7.172 156 HD3 PRO 20 HD3 PRO 20 -16.380 1.294 -6.117 157 H ARG 21 H ARG 21 -12.710 2.447 -6.068 158 HA ARG 21 HA ARG 21 -10.204 2.443 -4.564 159 HB2 ARG 21 HB2 ARG 21 -9.093 2.335 -6.697 160 HB3 ARG 21 HB3 ARG 21 -10.385 1.143 -6.679 161 HG2 ARG 21 HG2 ARG 21 -11.143 3.764 -7.756 162 HG3 ARG 21 HG3 ARG 21 -9.929 2.890 -8.692 163 HD2 ARG 21 HD2 ARG 21 -12.681 1.947 -7.910 164 HD3 ARG 21 HD3 ARG 21 -12.085 2.292 -9.533 165 HE ARG 21 HE ARG 21 -10.427 0.337 -8.637 166 HH11 ARG 21 HH11 ARG 21 -13.884 0.658 -8.890 167 HH12 ARG 21 HH12 ARG 21 -14.156 -1.037 -9.123 168 HH21 ARG 21 HH21 ARG 21 -10.771 -1.897 -8.944 169 HH22 ARG 21 HH22 ARG 21 -12.384 -2.490 -9.153 170 H GLU 22 H GLU 22 -12.299 4.629 -4.554 171 HA GLU 22 HA GLU 22 -10.594 6.839 -5.494 172 HB2 GLU 22 HB2 GLU 22 -13.573 6.569 -5.231 173 HB3 GLU 22 HB3 GLU 22 -12.816 8.155 -5.245 174 HG2 GLU 22 HG2 GLU 22 -11.828 7.664 -7.426 175 HG3 GLU 22 HG3 GLU 22 -12.602 6.080 -7.415 176 H VAL 23 H VAL 23 -10.736 8.847 -4.179 177 HA VAL 23 HA VAL 23 -11.011 8.218 -1.311 178 HB VAL 23 HB VAL 23 -8.877 9.766 -2.744 179 HG11 VAL 23 HG11 VAL 23 -9.995 10.282 -0.055 180 HG12 VAL 23 HG12 VAL 23 -8.237 10.261 -0.195 181 HG13 VAL 23 HG13 VAL 23 -9.186 11.375 -1.178 182 HG21 VAL 23 HG21 VAL 23 -7.987 8.246 -0.506 183 HG22 VAL 23 HG22 VAL 23 -9.057 7.239 -1.482 184 HG23 VAL 23 HG23 VAL 23 -7.644 7.996 -2.218 185 H THR 24 H THR 24 -12.304 9.507 -0.163 186 HA THR 24 HA THR 24 -13.637 11.704 -1.497 187 HB THR 24 HB THR 24 -14.064 10.864 1.365 188 HG1 THR 24 HG1 THR 24 -15.011 9.102 0.679 189 HG21 THR 24 HG21 THR 24 -15.091 12.967 0.077 190 HG22 THR 24 HG22 THR 24 -16.245 11.739 -0.446 191 HG23 THR 24 HG23 THR 24 -16.007 12.051 1.274 192 H MET 25 H MET 25 -13.090 13.775 -1.320 193 HA MET 25 HA MET 25 -11.546 14.635 1.031 194 HB2 MET 25 HB2 MET 25 -10.063 15.928 -0.293 195 HB3 MET 25 HB3 MET 25 -10.126 14.339 -1.043 196 HG2 MET 25 HG2 MET 25 -12.137 16.044 -2.171 197 HG3 MET 25 HG3 MET 25 -10.559 16.824 -2.246 198 HE1 MET 25 HE1 MET 25 -9.671 16.512 -4.985 199 HE2 MET 25 HE2 MET 25 -8.762 16.319 -3.485 200 HE3 MET 25 HE3 MET 25 -8.596 15.130 -4.776 201 H LYS 26 H LYS 26 -11.831 16.814 1.662 202 HA LYS 26 HA LYS 26 -14.240 18.082 0.529 203 HB2 LYS 26 HB2 LYS 26 -13.327 17.714 3.350 204 HB3 LYS 26 HB3 LYS 26 -14.253 19.153 2.946 205 HG2 LYS 26 HG2 LYS 26 -15.605 16.967 1.794 206 HG3 LYS 26 HG3 LYS 26 -15.174 16.501 3.441 207 HD2 LYS 26 HD2 LYS 26 -16.059 19.016 3.863 208 HD3 LYS 26 HD3 LYS 26 -17.054 18.560 2.478 209 HE2 LYS 26 HE2 LYS 26 -16.800 17.027 5.065 210 HE3 LYS 26 HE3 LYS 26 -18.168 18.033 4.588 211 HZ1 LYS 26 HZ1 LYS 26 -18.678 15.749 4.153 212 HZ2 LYS 26 HZ2 LYS 26 -18.485 16.540 2.669 213 HZ3 LYS 26 HZ3 LYS 26 -17.256 15.539 3.260 214 H LYS 27 H LYS 27 -14.044 20.096 -0.220 215 HA LYS 27 HA LYS 27 -11.706 21.357 -0.779 216 HB2 LYS 27 HB2 LYS 27 -14.025 21.999 -1.554 217 HB3 LYS 27 HB3 LYS 27 -14.215 22.862 -0.034 218 HG2 LYS 27 HG2 LYS 27 -12.241 24.237 -0.621 219 HG3 LYS 27 HG3 LYS 27 -12.189 23.427 -2.188 220 HD2 LYS 27 HD2 LYS 27 -14.612 24.186 -2.466 221 HD3 LYS 27 HD3 LYS 27 -14.312 25.253 -1.092 222 HE2 LYS 27 HE2 LYS 27 -12.447 25.251 -3.430 223 HE3 LYS 27 HE3 LYS 27 -13.970 26.133 -3.518 224 HZ1 LYS 27 HZ1 LYS 27 -11.877 27.343 -2.688 225 HZ2 LYS 27 HZ2 LYS 27 -13.329 27.574 -1.850 226 HZ3 LYS 27 HZ3 LYS 27 -12.153 26.527 -1.232 227 H GLY 28 H GLY 28 -10.102 21.623 0.668 228 HA2 GLY 28 HA2 GLY 28 -9.132 23.217 2.200 229 HA3 GLY 28 HA3 GLY 28 -10.693 23.327 3.000 230 H ASP 29 H ASP 29 -9.345 20.259 2.039 231 HA ASP 29 HA ASP 29 -8.785 19.667 4.872 232 HB2 ASP 29 HB2 ASP 29 -9.951 17.717 4.783 233 HB3 ASP 29 HB3 ASP 29 -10.818 18.553 3.498 234 H ILE 30 H ILE 30 -7.355 17.653 5.078 235 HA ILE 30 HA ILE 30 -5.234 17.772 3.034 236 HB ILE 30 HB ILE 30 -5.084 18.193 5.888 237 HG12 ILE 30 HG12 ILE 30 -4.064 19.474 3.892 238 HG13 ILE 30 HG13 ILE 30 -3.082 19.284 5.340 239 HG21 ILE 30 HG21 ILE 30 -4.544 15.856 6.060 240 HG22 ILE 30 HG22 ILE 30 -3.372 15.990 4.748 241 HG23 ILE 30 HG23 ILE 30 -3.071 16.801 6.285 242 HD11 ILE 30 HD11 ILE 30 -2.133 18.830 2.918 243 HD12 ILE 30 HD12 ILE 30 -1.605 17.900 4.320 244 HD13 ILE 30 HD13 ILE 30 -2.814 17.232 3.223 245 H LEU 31 H LEU 31 -4.297 15.871 2.377 246 HA LEU 31 HA LEU 31 -5.311 13.383 3.570 247 HB2 LEU 31 HB2 LEU 31 -4.981 12.750 0.919 248 HB3 LEU 31 HB3 LEU 31 -6.516 13.041 1.734 249 HG LEU 31 HG LEU 31 -5.038 15.332 0.509 250 HD11 LEU 31 HD11 LEU 31 -6.700 13.296 -0.959 251 HD12 LEU 31 HD12 LEU 31 -6.355 14.911 -1.578 252 HD13 LEU 31 HD13 LEU 31 -5.036 13.777 -1.292 253 HD21 LEU 31 HD21 LEU 31 -7.607 15.789 0.034 254 HD22 LEU 31 HD22 LEU 31 -7.796 14.691 1.401 255 HD23 LEU 31 HD23 LEU 31 -6.860 16.174 1.585 256 H THR 32 H THR 32 -3.985 11.484 3.054 257 HA THR 32 HA THR 32 -1.151 12.223 2.957 258 HB THR 32 HB THR 32 -2.368 9.574 3.758 259 HG1 THR 32 HG1 THR 32 -1.780 10.388 5.913 260 HG21 THR 32 HG21 THR 32 0.234 10.267 4.845 261 HG22 THR 32 HG22 THR 32 -0.284 8.802 4.010 262 HG23 THR 32 HG23 THR 32 0.248 10.204 3.082 263 H LEU 33 H LEU 33 -0.352 12.207 0.951 264 HA LEU 33 HA LEU 33 -1.367 10.756 -1.218 265 HB2 LEU 33 HB2 LEU 33 1.100 12.282 -0.644 266 HB3 LEU 33 HB3 LEU 33 1.171 11.147 -1.989 267 HG LEU 33 HG LEU 33 0.615 13.554 -2.552 268 HD11 LEU 33 HD11 LEU 33 0.105 11.404 -3.899 269 HD12 LEU 33 HD12 LEU 33 -1.568 11.713 -3.437 270 HD13 LEU 33 HD13 LEU 33 -0.672 12.917 -4.364 271 HD21 LEU 33 HD21 LEU 33 -1.775 14.164 -2.281 272 HD22 LEU 33 HD22 LEU 33 -1.977 12.760 -1.234 273 HD23 LEU 33 HD23 LEU 33 -0.896 14.068 -0.755 274 H LEU 34 H LEU 34 -0.647 8.892 -2.273 275 HA LEU 34 HA LEU 34 1.064 7.120 -0.657 276 HB2 LEU 34 HB2 LEU 34 -1.445 6.502 -2.192 277 HB3 LEU 34 HB3 LEU 34 -0.305 5.250 -1.702 278 HG LEU 34 HG LEU 34 -1.947 7.027 0.096 279 HD11 LEU 34 HD11 LEU 34 -3.134 5.103 0.681 280 HD12 LEU 34 HD12 LEU 34 -2.968 4.994 -1.071 281 HD13 LEU 34 HD13 LEU 34 -1.925 4.030 -0.024 282 HD21 LEU 34 HD21 LEU 34 -0.737 5.079 1.645 283 HD22 LEU 34 HD22 LEU 34 0.555 5.643 0.584 284 HD23 LEU 34 HD23 LEU 34 -0.318 6.792 1.598 285 H ASN 35 H ASN 35 -0.301 7.346 -3.949 286 HA ASN 35 HA ASN 35 2.126 6.170 -5.038 287 HB2 ASN 35 HB2 ASN 35 -0.028 5.392 -5.899 288 HB3 ASN 35 HB3 ASN 35 -0.440 7.032 -6.393 289 HD21 ASN 35 HD21 ASN 35 2.625 5.305 -6.689 290 HD22 ASN 35 HD22 ASN 35 2.697 5.368 -8.414 291 H SER 36 H SER 36 0.149 8.927 -6.127 292 HA SER 36 HA SER 36 0.710 11.019 -6.835 293 HB2 SER 36 HB2 SER 36 2.695 10.394 -4.834 294 HB3 SER 36 HB3 SER 36 3.410 11.366 -6.120 295 HG SER 36 HG SER 36 2.227 13.019 -5.537 296 H THR 37 H THR 37 1.514 8.402 -8.221 297 HA THR 37 HA THR 37 3.631 9.411 -9.978 298 HB THR 37 HB THR 37 2.390 6.655 -9.859 299 HG1 THR 37 HG1 THR 37 4.993 7.442 -9.027 300 HG21 THR 37 HG21 THR 37 3.316 6.411 -11.882 301 HG22 THR 37 HG22 THR 37 4.177 7.945 -11.758 302 HG23 THR 37 HG23 THR 37 4.876 6.483 -11.062 303 H ASN 38 H ASN 38 0.256 8.455 -9.968 304 HA ASN 38 HA ASN 38 0.046 8.954 -12.842 305 HB2 ASN 38 HB2 ASN 38 -1.049 6.942 -12.120 306 HB3 ASN 38 HB3 ASN 38 -1.897 7.799 -10.836 307 HD21 ASN 38 HD21 ASN 38 -1.405 8.565 -14.259 308 HD22 ASN 38 HD22 ASN 38 -3.084 8.670 -14.654 309 H LYS 39 H LYS 39 0.045 11.122 -13.155 310 HA LYS 39 HA LYS 39 -0.910 13.128 -11.562 311 HB2 LYS 39 HB2 LYS 39 0.326 13.665 -13.539 312 HB3 LYS 39 HB3 LYS 39 -0.888 12.924 -14.573 313 HG2 LYS 39 HG2 LYS 39 -2.489 14.668 -13.910 314 HG3 LYS 39 HG3 LYS 39 -1.230 15.426 -12.932 315 HD2 LYS 39 HD2 LYS 39 -0.844 16.632 -14.794 316 HD3 LYS 39 HD3 LYS 39 0.038 15.196 -15.318 317 HE2 LYS 39 HE2 LYS 39 -2.668 14.738 -15.932 318 HE3 LYS 39 HE3 LYS 39 -2.319 16.392 -16.434 319 HZ1 LYS 39 HZ1 LYS 39 -0.180 15.143 -17.382 320 HZ2 LYS 39 HZ2 LYS 39 -1.302 13.881 -17.486 321 HZ3 LYS 39 HZ3 LYS 39 -1.600 15.346 -18.278 322 H ASP 40 H ASP 40 -2.748 11.417 -14.086 323 HA ASP 40 HA ASP 40 -5.160 12.712 -13.897 324 HB2 ASP 40 HB2 ASP 40 -4.767 11.000 -15.567 325 HB3 ASP 40 HB3 ASP 40 -4.654 9.761 -14.320 326 H TRP 41 H TRP 41 -4.049 9.972 -11.924 327 HA TRP 41 HA TRP 41 -5.933 10.803 -9.839 328 HB2 TRP 41 HB2 TRP 41 -5.719 8.058 -11.058 329 HB3 TRP 41 HB3 TRP 41 -6.340 8.294 -9.426 330 HD1 TRP 41 HD1 TRP 41 -7.291 8.697 -13.074 331 HE1 TRP 41 HE1 TRP 41 -9.775 9.351 -13.230 332 HE3 TRP 41 HE3 TRP 41 -8.207 9.596 -8.125 333 HZ2 TRP 41 HZ2 TRP 41 -11.849 10.144 -11.487 334 HZ3 TRP 41 HZ3 TRP 41 -10.468 10.299 -7.453 335 HH2 TRP 41 HH2 TRP 41 -12.249 10.567 -9.101 336 H TRP 42 H TRP 42 -4.792 11.185 -8.069 337 HA TRP 42 HA TRP 42 -2.254 9.780 -7.668 338 HB2 TRP 42 HB2 TRP 42 -3.409 12.333 -6.577 339 HB3 TRP 42 HB3 TRP 42 -2.048 11.547 -5.781 340 HD1 TRP 42 HD1 TRP 42 -0.827 10.648 -8.788 341 HE1 TRP 42 HE1 TRP 42 0.512 12.452 -10.043 342 HE3 TRP 42 HE3 TRP 42 -2.550 14.789 -6.335 343 HZ2 TRP 42 HZ2 TRP 42 0.799 15.260 -9.999 344 HZ3 TRP 42 HZ3 TRP 42 -1.692 16.997 -7.002 345 HH2 TRP 42 HH2 TRP 42 -0.052 17.225 -8.796 346 H LYS 43 H LYS 43 -2.541 7.901 -6.635 347 HA LYS 43 HA LYS 43 -4.628 7.261 -4.891 348 HB2 LYS 43 HB2 LYS 43 -3.286 5.545 -5.964 349 HB3 LYS 43 HB3 LYS 43 -1.852 6.080 -5.096 350 HG2 LYS 43 HG2 LYS 43 -3.544 5.569 -3.040 351 HG3 LYS 43 HG3 LYS 43 -4.059 4.362 -4.221 352 HD2 LYS 43 HD2 LYS 43 -1.143 4.683 -3.802 353 HD3 LYS 43 HD3 LYS 43 -2.065 3.939 -2.493 354 HE2 LYS 43 HE2 LYS 43 -2.061 2.017 -3.603 355 HE3 LYS 43 HE3 LYS 43 -2.953 2.783 -4.916 356 HZ1 LYS 43 HZ1 LYS 43 -0.063 3.210 -4.802 357 HZ2 LYS 43 HZ2 LYS 43 -0.609 1.687 -5.296 358 HZ3 LYS 43 HZ3 LYS 43 -1.082 3.071 -6.146 359 H VAL 44 H VAL 44 -4.961 7.524 -2.758 360 HA VAL 44 HA VAL 44 -2.755 8.413 -1.054 361 HB VAL 44 HB VAL 44 -3.965 10.261 -0.127 362 HG11 VAL 44 HG11 VAL 44 -3.626 11.752 -1.820 363 HG12 VAL 44 HG12 VAL 44 -2.808 10.349 -2.506 364 HG13 VAL 44 HG13 VAL 44 -4.447 10.751 -3.017 365 HG21 VAL 44 HG21 VAL 44 -6.218 9.472 -1.973 366 HG22 VAL 44 HG22 VAL 44 -6.212 9.364 -0.212 367 HG23 VAL 44 HG23 VAL 44 -6.172 10.942 -0.999 368 H GLU 45 H GLU 45 -3.758 8.723 1.298 369 HA GLU 45 HA GLU 45 -5.565 6.455 1.807 370 HB2 GLU 45 HB2 GLU 45 -3.012 6.171 2.333 371 HB3 GLU 45 HB3 GLU 45 -3.389 7.152 3.742 372 HG2 GLU 45 HG2 GLU 45 -4.292 5.432 4.805 373 HG3 GLU 45 HG3 GLU 45 -5.299 5.016 3.419 374 H VAL 46 H VAL 46 -7.341 7.054 2.842 375 HA VAL 46 HA VAL 46 -7.193 9.189 4.843 376 HB VAL 46 HB VAL 46 -9.466 9.993 3.945 377 HG11 VAL 46 HG11 VAL 46 -7.244 10.636 2.056 378 HG12 VAL 46 HG12 VAL 46 -8.427 11.708 2.806 379 HG13 VAL 46 HG13 VAL 46 -7.094 11.060 3.761 380 HG21 VAL 46 HG21 VAL 46 -8.471 8.984 1.310 381 HG22 VAL 46 HG22 VAL 46 -9.490 7.963 2.326 382 HG23 VAL 46 HG23 VAL 46 -10.087 9.524 1.763 383 H ASN 47 H ASN 47 -8.295 8.731 6.647 384 HA ASN 47 HA ASN 47 -9.357 7.368 8.161 385 HB2 ASN 47 HB2 ASN 47 -11.836 6.990 7.353 386 HB3 ASN 47 HB3 ASN 47 -11.262 8.608 7.747 387 HD21 ASN 47 HD21 ASN 47 -12.133 6.414 5.194 388 HD22 ASN 47 HD22 ASN 47 -12.267 7.602 3.946 389 H ASP 48 H ASP 48 -7.777 5.635 7.359 390 HA ASP 48 HA ASP 48 -7.323 3.514 6.598 391 HB2 ASP 48 HB2 ASP 48 -9.041 3.476 8.717 392 HB3 ASP 48 HB3 ASP 48 -9.920 2.498 7.546 393 H ARG 49 H ARG 49 -8.522 5.107 4.582 394 HA ARG 49 HA ARG 49 -9.661 2.985 2.941 395 HB2 ARG 49 HB2 ARG 49 -11.186 5.218 3.985 396 HB3 ARG 49 HB3 ARG 49 -11.169 5.227 2.227 397 HG2 ARG 49 HG2 ARG 49 -11.876 2.783 3.822 398 HG3 ARG 49 HG3 ARG 49 -13.070 3.989 3.336 399 HD2 ARG 49 HD2 ARG 49 -11.508 3.331 1.059 400 HD3 ARG 49 HD3 ARG 49 -12.006 1.824 1.829 401 HE ARG 49 HE ARG 49 -14.135 3.732 1.505 402 HH11 ARG 49 HH11 ARG 49 -12.356 1.132 0.023 403 HH12 ARG 49 HH12 ARG 49 -13.635 0.702 -1.063 404 HH21 ARG 49 HH21 ARG 49 -15.827 3.175 0.079 405 HH22 ARG 49 HH22 ARG 49 -15.608 1.865 -1.031 406 H GLN 50 H GLN 50 -7.648 3.070 1.862 407 HA GLN 50 HA GLN 50 -6.897 5.548 0.540 408 HB2 GLN 50 HB2 GLN 50 -4.911 4.318 -0.192 409 HB3 GLN 50 HB3 GLN 50 -5.139 4.177 1.546 410 HG2 GLN 50 HG2 GLN 50 -4.673 2.015 1.077 411 HG3 GLN 50 HG3 GLN 50 -6.418 1.975 0.826 412 HE21 GLN 50 HE21 GLN 50 -3.522 2.862 -1.032 413 HE22 GLN 50 HE22 GLN 50 -3.975 2.012 -2.466 414 H GLY 51 H GLY 51 -6.953 5.912 -1.647 415 HA2 GLY 51 HA2 GLY 51 -7.766 3.801 -3.464 416 HA3 GLY 51 HA3 GLY 51 -8.958 5.069 -3.222 417 H PHE 52 H PHE 52 -8.896 6.693 -4.616 418 HA PHE 52 HA PHE 52 -6.331 7.570 -5.702 419 HB2 PHE 52 HB2 PHE 52 -8.613 6.461 -7.297 420 HB3 PHE 52 HB3 PHE 52 -7.594 7.716 -7.994 421 HD1 PHE 52 HD1 PHE 52 -5.014 7.263 -7.834 422 HD2 PHE 52 HD2 PHE 52 -8.021 4.260 -7.591 423 HE1 PHE 52 HE1 PHE 52 -3.363 5.560 -8.490 424 HE2 PHE 52 HE2 PHE 52 -6.375 2.553 -8.245 425 HZ PHE 52 HZ PHE 52 -4.042 3.202 -8.695 426 H VAL 53 H VAL 53 -6.189 9.710 -5.626 427 HA VAL 53 HA VAL 53 -8.679 11.270 -5.425 428 HB VAL 53 HB VAL 53 -6.484 11.243 -3.723 429 HG11 VAL 53 HG11 VAL 53 -6.457 13.818 -5.293 430 HG12 VAL 53 HG12 VAL 53 -5.454 13.415 -3.899 431 HG13 VAL 53 HG13 VAL 53 -5.239 12.549 -5.421 432 HG21 VAL 53 HG21 VAL 53 -9.043 12.348 -3.859 433 HG22 VAL 53 HG22 VAL 53 -7.977 12.299 -2.455 434 HG23 VAL 53 HG23 VAL 53 -7.970 13.706 -3.519 435 HA PRO 54 HA PRO 54 -7.735 13.156 -9.298 436 HB2 PRO 54 HB2 PRO 54 -9.287 15.369 -9.049 437 HB3 PRO 54 HB3 PRO 54 -9.950 13.761 -9.363 438 HG2 PRO 54 HG2 PRO 54 -9.754 15.257 -6.778 439 HG3 PRO 54 HG3 PRO 54 -11.104 14.303 -7.418 440 HD2 PRO 54 HD2 PRO 54 -9.393 13.338 -5.554 441 HD3 PRO 54 HD3 PRO 54 -10.159 12.301 -6.775 442 H ALA 55 H ALA 55 -5.822 14.077 -9.675 443 HA ALA 55 HA ALA 55 -4.455 15.772 -7.902 444 HB1 ALA 55 HB1 ALA 55 -2.839 16.061 -9.645 445 HB2 ALA 55 HB2 ALA 55 -3.405 14.392 -9.690 446 HB3 ALA 55 HB3 ALA 55 -4.000 15.557 -10.873 447 H ALA 56 H ALA 56 -6.063 16.557 -10.989 448 HA ALA 56 HA ALA 56 -5.682 19.270 -11.052 449 HB1 ALA 56 HB1 ALA 56 -7.720 19.416 -12.391 450 HB2 ALA 56 HB2 ALA 56 -6.747 18.021 -12.857 451 HB3 ALA 56 HB3 ALA 56 -8.187 17.799 -11.864 452 H TYR 57 H TYR 57 -7.968 17.456 -9.102 453 HA TYR 57 HA TYR 57 -9.127 19.923 -8.049 454 HB2 TYR 57 HB2 TYR 57 -9.862 17.014 -7.725 455 HB3 TYR 57 HB3 TYR 57 -10.632 18.300 -6.802 456 HD1 TYR 57 HD1 TYR 57 -11.184 20.406 -8.594 457 HD2 TYR 57 HD2 TYR 57 -11.247 16.226 -9.385 458 HE1 TYR 57 HE1 TYR 57 -12.769 20.785 -10.435 459 HE2 TYR 57 HE2 TYR 57 -12.832 16.593 -11.230 460 HH TYR 57 HH TYR 57 -13.489 18.440 -12.753 461 H VAL 58 H VAL 58 -6.431 19.503 -7.422 462 HA VAL 58 HA VAL 58 -6.612 19.411 -4.516 463 HB VAL 58 HB VAL 58 -5.798 17.136 -5.739 464 HG11 VAL 58 HG11 VAL 58 -3.832 18.488 -6.652 465 HG12 VAL 58 HG12 VAL 58 -3.211 18.468 -5.001 466 HG13 VAL 58 HG13 VAL 58 -3.465 16.952 -5.866 467 HG21 VAL 58 HG21 VAL 58 -4.918 16.470 -3.614 468 HG22 VAL 58 HG22 VAL 58 -4.624 18.146 -3.153 469 HG23 VAL 58 HG23 VAL 58 -6.277 17.556 -3.325 470 H LYS 59 H LYS 59 -4.438 20.045 -3.531 471 HA LYS 59 HA LYS 59 -2.693 21.616 -5.208 472 HB2 LYS 59 HB2 LYS 59 -4.918 22.855 -3.892 473 HB3 LYS 59 HB3 LYS 59 -3.427 23.430 -3.159 474 HG2 LYS 59 HG2 LYS 59 -2.938 23.518 -5.891 475 HG3 LYS 59 HG3 LYS 59 -4.600 24.085 -5.712 476 HD2 LYS 59 HD2 LYS 59 -2.308 25.137 -4.064 477 HD3 LYS 59 HD3 LYS 59 -2.816 25.865 -5.589 478 HE2 LYS 59 HE2 LYS 59 -4.619 25.455 -3.207 479 HE3 LYS 59 HE3 LYS 59 -3.778 26.961 -3.572 480 HZ1 LYS 59 HZ1 LYS 59 -6.051 27.008 -4.376 481 HZ2 LYS 59 HZ2 LYS 59 -4.967 27.070 -5.675 482 HZ3 LYS 59 HZ3 LYS 59 -5.778 25.629 -5.318 483 H LYS 60 H LYS 60 -0.755 21.066 -4.483 484 HA LYS 60 HA LYS 60 -0.263 19.944 -1.943 485 HB2 LYS 60 HB2 LYS 60 1.099 19.864 -4.206 486 HB3 LYS 60 HB3 LYS 60 1.937 21.238 -3.496 487 HG2 LYS 60 HG2 LYS 60 1.649 18.533 -2.203 488 HG3 LYS 60 HG3 LYS 60 3.074 19.101 -3.075 489 HD2 LYS 60 HD2 LYS 60 2.669 21.133 -1.306 490 HD3 LYS 60 HD3 LYS 60 2.136 19.736 -0.367 491 HE2 LYS 60 HE2 LYS 60 4.218 18.854 -0.252 492 HE3 LYS 60 HE3 LYS 60 4.662 19.417 -1.862 493 HZ1 LYS 60 HZ1 LYS 60 5.046 21.599 -1.014 494 HZ2 LYS 60 HZ2 LYS 60 4.446 21.184 0.513 495 HZ3 LYS 60 HZ3 LYS 60 5.897 20.510 -0.037 496 H LEU 61 H LEU 61 -0.993 21.321 -0.329 497 HA LEU 61 HA LEU 61 0.545 23.814 -0.005 498 HB2 LEU 61 HB2 LEU 61 -2.179 23.231 1.138 499 HB3 LEU 61 HB3 LEU 61 -1.312 24.765 1.175 500 HG LEU 61 HG LEU 61 -2.172 23.504 -1.412 501 HD11 LEU 61 HD11 LEU 61 -3.953 25.556 -0.843 502 HD12 LEU 61 HD12 LEU 61 -4.299 23.827 -0.861 503 HD13 LEU 61 HD13 LEU 61 -3.858 24.622 0.650 504 HD21 LEU 61 HD21 LEU 61 -0.697 25.208 -1.893 505 HD22 LEU 61 HD22 LEU 61 -2.242 26.060 -1.921 506 HD23 LEU 61 HD23 LEU 61 -1.196 26.177 -0.506 507 H ASP 62 H ASP 62 1.857 21.711 0.867 508 HA ASP 62 HA ASP 62 1.828 22.055 3.745 509 HB2 ASP 62 HB2 ASP 62 0.455 19.896 2.721 510 HB3 ASP 62 HB3 ASP 62 2.041 19.213 3.067 Start of MODEL 7 1 H1 MET 1 H MET 1 1.776 -0.504 -3.776 2 HA MET 1 HA MET 1 -0.739 0.825 -4.531 3 HB2 MET 1 HB2 MET 1 0.318 0.356 -1.739 4 HB3 MET 1 HB3 MET 1 -1.036 1.411 -2.121 5 HG2 MET 1 HG2 MET 1 -2.396 -0.375 -2.770 6 HG3 MET 1 HG3 MET 1 -1.028 -1.476 -2.914 7 HE1 MET 1 HE1 MET 1 -3.891 -1.742 -1.462 8 HE2 MET 1 HE2 MET 1 -3.827 -1.771 0.301 9 HE3 MET 1 HE3 MET 1 -3.881 -0.230 -0.555 10 H ASP 2 H ASP 2 1.727 1.613 -2.108 11 HA ASP 2 HA ASP 2 2.124 4.186 -3.472 12 HB2 ASP 2 HB2 ASP 2 3.277 4.620 -1.098 13 HB3 ASP 2 HB3 ASP 2 1.547 4.829 -1.357 14 H GLU 3 H GLU 3 4.203 2.446 -1.187 15 HA GLU 3 HA GLU 3 6.465 2.110 -1.212 16 HB2 GLU 3 HB2 GLU 3 5.256 0.512 -3.077 17 HB3 GLU 3 HB3 GLU 3 6.505 1.295 -4.035 18 HG2 GLU 3 HG2 GLU 3 7.826 0.550 -1.730 19 HG3 GLU 3 HG3 GLU 3 6.726 -0.793 -2.040 20 H THR 4 H THR 4 5.701 4.774 -1.878 21 HA THR 4 HA THR 4 7.715 5.528 -3.885 22 HB THR 4 HB THR 4 5.381 7.114 -2.799 23 HG1 THR 4 HG1 THR 4 5.842 5.591 -5.099 24 HG21 THR 4 HG21 THR 4 7.693 7.867 -4.536 25 HG22 THR 4 HG22 THR 4 6.119 8.608 -4.823 26 HG23 THR 4 HG23 THR 4 6.906 8.787 -3.254 27 H GLY 5 H GLY 5 6.341 7.314 -1.136 28 HA2 GLY 5 HA2 GLY 5 8.582 7.226 0.537 29 HA3 GLY 5 HA3 GLY 5 8.765 8.616 -0.522 30 H LYS 6 H LYS 6 7.332 10.360 -0.340 31 HA LYS 6 HA LYS 6 5.224 10.319 1.624 32 HB2 LYS 6 HB2 LYS 6 7.888 11.406 2.248 33 HB3 LYS 6 HB3 LYS 6 6.553 12.495 2.599 34 HG2 LYS 6 HG2 LYS 6 6.364 11.435 4.539 35 HG3 LYS 6 HG3 LYS 6 5.703 10.078 3.625 36 HD2 LYS 6 HD2 LYS 6 7.399 8.892 4.475 37 HD3 LYS 6 HD3 LYS 6 8.415 9.755 3.318 38 HE2 LYS 6 HE2 LYS 6 9.579 10.442 5.097 39 HE3 LYS 6 HE3 LYS 6 8.226 11.530 5.405 40 HZ1 LYS 6 HZ1 LYS 6 7.382 9.247 6.542 41 HZ2 LYS 6 HZ2 LYS 6 9.046 9.160 6.834 42 HZ3 LYS 6 HZ3 LYS 6 8.162 10.498 7.373 43 H GLU 7 H GLU 7 3.868 12.148 1.518 44 HA GLU 7 HA GLU 7 4.371 14.487 0.088 45 HB2 GLU 7 HB2 GLU 7 3.747 12.196 -1.574 46 HB3 GLU 7 HB3 GLU 7 2.549 13.467 -1.767 47 HG2 GLU 7 HG2 GLU 7 5.017 14.766 -1.817 48 HG3 GLU 7 HG3 GLU 7 5.230 13.308 -2.784 49 H LEU 8 H LEU 8 2.662 15.921 0.200 50 HA LEU 8 HA LEU 8 0.108 14.898 1.223 51 HB2 LEU 8 HB2 LEU 8 2.036 16.403 2.695 52 HB3 LEU 8 HB3 LEU 8 0.598 17.393 2.460 53 HG LEU 8 HG LEU 8 -0.773 15.801 3.594 54 HD11 LEU 8 HD11 LEU 8 0.051 13.724 2.831 55 HD12 LEU 8 HD12 LEU 8 1.655 14.030 3.496 56 HD13 LEU 8 HD13 LEU 8 0.294 13.735 4.578 57 HD21 LEU 8 HD21 LEU 8 -0.118 16.525 5.592 58 HD22 LEU 8 HD22 LEU 8 1.364 15.571 5.527 59 HD23 LEU 8 HD23 LEU 8 1.318 17.178 4.803 60 H VAL 9 H VAL 9 -1.702 16.235 0.816 61 HA VAL 9 HA VAL 9 -1.317 18.608 -0.827 62 HB VAL 9 HB VAL 9 -2.793 17.853 -2.605 63 HG11 VAL 9 HG11 VAL 9 -0.422 17.508 -2.929 64 HG12 VAL 9 HG12 VAL 9 -0.503 15.959 -2.091 65 HG13 VAL 9 HG13 VAL 9 -1.317 16.166 -3.642 66 HG21 VAL 9 HG21 VAL 9 -4.223 16.324 -1.468 67 HG22 VAL 9 HG22 VAL 9 -3.387 15.417 -2.729 68 HG23 VAL 9 HG23 VAL 9 -2.869 15.275 -1.049 69 H LEU 10 H LEU 10 -3.488 19.631 -1.349 70 HA LEU 10 HA LEU 10 -5.324 19.233 0.923 71 HB2 LEU 10 HB2 LEU 10 -4.266 21.691 -0.383 72 HB3 LEU 10 HB3 LEU 10 -5.894 21.728 0.292 73 HG LEU 10 HG LEU 10 -4.101 22.619 1.792 74 HD11 LEU 10 HD11 LEU 10 -5.359 20.201 3.030 75 HD12 LEU 10 HD12 LEU 10 -5.100 21.802 3.722 76 HD13 LEU 10 HD13 LEU 10 -6.342 21.563 2.493 77 HD21 LEU 10 HD21 LEU 10 -2.599 21.099 2.886 78 HD22 LEU 10 HD22 LEU 10 -3.294 19.724 2.028 79 HD23 LEU 10 HD23 LEU 10 -2.382 20.947 1.143 80 H ALA 11 H ALA 11 -7.518 19.247 0.545 81 HA ALA 11 HA ALA 11 -8.379 18.434 -2.037 82 HB1 ALA 11 HB1 ALA 11 -9.636 17.477 -0.363 83 HB2 ALA 11 HB2 ALA 11 -9.738 18.974 0.565 84 HB3 ALA 11 HB3 ALA 11 -10.703 18.775 -0.898 85 H LEU 12 H LEU 12 -8.431 19.829 -3.685 86 HA LEU 12 HA LEU 12 -8.978 22.627 -3.309 87 HB2 LEU 12 HB2 LEU 12 -7.408 21.590 -5.023 88 HB3 LEU 12 HB3 LEU 12 -8.857 21.166 -5.932 89 HG LEU 12 HG LEU 12 -9.421 23.551 -6.120 90 HD11 LEU 12 HD11 LEU 12 -7.027 24.833 -5.522 91 HD12 LEU 12 HD12 LEU 12 -8.551 24.962 -4.643 92 HD13 LEU 12 HD13 LEU 12 -7.338 23.786 -4.137 93 HD21 LEU 12 HD21 LEU 12 -8.122 22.460 -7.879 94 HD22 LEU 12 HD22 LEU 12 -7.657 24.151 -7.695 95 HD23 LEU 12 HD23 LEU 12 -6.628 22.878 -7.041 96 H TYR 13 H TYR 13 -10.773 19.797 -4.215 97 HA TYR 13 HA TYR 13 -13.204 21.425 -4.347 98 HB2 TYR 13 HB2 TYR 13 -12.720 21.114 -6.659 99 HB3 TYR 13 HB3 TYR 13 -12.311 19.419 -6.417 100 HD1 TYR 13 HD1 TYR 13 -13.830 18.068 -7.503 101 HD2 TYR 13 HD2 TYR 13 -15.259 21.509 -5.448 102 HE1 TYR 13 HE1 TYR 13 -16.141 17.430 -8.053 103 HE2 TYR 13 HE2 TYR 13 -17.574 20.880 -5.991 104 HH TYR 13 HH TYR 13 -18.403 17.818 -7.233 105 H ASP 14 H ASP 14 -14.889 20.560 -3.287 106 HA ASP 14 HA ASP 14 -14.532 18.353 -1.584 107 HB2 ASP 14 HB2 ASP 14 -16.302 20.395 -1.670 108 HB3 ASP 14 HB3 ASP 14 -17.311 19.091 -2.290 109 H TYR 15 H TYR 15 -13.997 16.478 -2.625 110 HA TYR 15 HA TYR 15 -15.796 15.477 -4.708 111 HB2 TYR 15 HB2 TYR 15 -13.051 15.427 -4.502 112 HB3 TYR 15 HB3 TYR 15 -13.499 13.802 -3.996 113 HD1 TYR 15 HD1 TYR 15 -14.833 12.360 -5.550 114 HD2 TYR 15 HD2 TYR 15 -13.167 16.077 -6.778 115 HE1 TYR 15 HE1 TYR 15 -15.098 11.695 -7.903 116 HE2 TYR 15 HE2 TYR 15 -13.429 15.423 -9.134 117 HH TYR 15 HH TYR 15 -14.720 12.237 -10.024 118 H GLN 16 H GLN 16 -17.225 13.908 -4.340 119 HA GLN 16 HA GLN 16 -17.277 12.679 -1.687 120 HB2 GLN 16 HB2 GLN 16 -19.309 13.206 -3.802 121 HB3 GLN 16 HB3 GLN 16 -19.574 11.842 -2.725 122 HG2 GLN 16 HG2 GLN 16 -20.631 14.051 -2.078 123 HG3 GLN 16 HG3 GLN 16 -19.706 13.209 -0.835 124 HE21 GLN 16 HE21 GLN 16 -20.119 16.084 -2.549 125 HE22 GLN 16 HE22 GLN 16 -18.722 16.921 -1.973 126 H GLU 17 H GLU 17 -16.625 11.940 -4.981 127 HA GLU 17 HA GLU 17 -15.921 10.044 -6.023 128 HB2 GLU 17 HB2 GLU 17 -15.719 8.827 -3.267 129 HB3 GLU 17 HB3 GLU 17 -14.882 8.306 -4.722 130 HG2 GLU 17 HG2 GLU 17 -14.471 10.944 -3.334 131 HG3 GLU 17 HG3 GLU 17 -13.425 9.534 -3.180 132 H LYS 18 H LYS 18 -16.341 7.342 -5.429 133 HA LYS 18 HA LYS 18 -18.981 6.714 -4.689 134 HB2 LYS 18 HB2 LYS 18 -18.635 7.697 -7.397 135 HB3 LYS 18 HB3 LYS 18 -19.260 6.053 -7.389 136 HG2 LYS 18 HG2 LYS 18 -21.281 6.756 -6.821 137 HG3 LYS 18 HG3 LYS 18 -20.641 7.659 -5.446 138 HD2 LYS 18 HD2 LYS 18 -21.512 9.385 -6.663 139 HD3 LYS 18 HD3 LYS 18 -19.891 9.330 -7.358 140 HE2 LYS 18 HE2 LYS 18 -21.755 7.519 -8.671 141 HE3 LYS 18 HE3 LYS 18 -22.266 9.204 -8.752 142 HZ1 LYS 18 HZ1 LYS 18 -20.093 7.887 -10.090 143 HZ2 LYS 18 HZ2 LYS 18 -20.881 9.334 -10.475 144 HZ3 LYS 18 HZ3 LYS 18 -19.626 9.330 -9.340 145 H SER 19 H SER 19 -16.171 5.918 -6.641 146 HA SER 19 HA SER 19 -16.716 3.067 -6.457 147 HB2 SER 19 HB2 SER 19 -15.133 4.768 -8.168 148 HB3 SER 19 HB3 SER 19 -14.137 3.467 -7.517 149 HG SER 19 HG SER 19 -15.650 3.234 -9.539 150 HA PRO 20 HA PRO 20 -14.186 2.182 -2.985 151 HB2 PRO 20 HB2 PRO 20 -13.024 -0.163 -3.707 152 HB3 PRO 20 HB3 PRO 20 -14.733 -0.030 -3.278 153 HG2 PRO 20 HG2 PRO 20 -13.462 -0.123 -5.986 154 HG3 PRO 20 HG3 PRO 20 -14.920 -0.949 -5.406 155 HD2 PRO 20 HD2 PRO 20 -15.021 1.306 -6.901 156 HD3 PRO 20 HD3 PRO 20 -16.237 0.924 -5.666 157 H ARG 21 H ARG 21 -12.689 2.365 -6.126 158 HA ARG 21 HA ARG 21 -10.006 2.468 -4.997 159 HB2 ARG 21 HB2 ARG 21 -9.221 2.498 -7.276 160 HB3 ARG 21 HB3 ARG 21 -10.445 1.246 -7.118 161 HG2 ARG 21 HG2 ARG 21 -11.482 3.857 -7.948 162 HG3 ARG 21 HG3 ARG 21 -10.368 3.104 -9.091 163 HD2 ARG 21 HD2 ARG 21 -12.920 1.953 -7.980 164 HD3 ARG 21 HD3 ARG 21 -12.585 2.408 -9.650 165 HE ARG 21 HE ARG 21 -10.708 0.528 -9.124 166 HH11 ARG 21 HH11 ARG 21 -14.172 0.625 -8.792 167 HH12 ARG 21 HH12 ARG 21 -14.376 -1.075 -9.057 168 HH21 ARG 21 HH21 ARG 21 -10.963 -1.711 -9.475 169 HH22 ARG 21 HH22 ARG 21 -12.550 -2.403 -9.445 170 H GLU 22 H GLU 22 -12.238 4.569 -4.709 171 HA GLU 22 HA GLU 22 -10.690 6.877 -5.684 172 HB2 GLU 22 HB2 GLU 22 -13.630 6.465 -5.246 173 HB3 GLU 22 HB3 GLU 22 -12.949 8.085 -5.222 174 HG2 GLU 22 HG2 GLU 22 -12.049 7.709 -7.484 175 HG3 GLU 22 HG3 GLU 22 -12.826 6.127 -7.503 176 H VAL 23 H VAL 23 -10.752 8.813 -4.294 177 HA VAL 23 HA VAL 23 -10.888 8.105 -1.435 178 HB VAL 23 HB VAL 23 -8.795 9.670 -2.915 179 HG11 VAL 23 HG11 VAL 23 -8.061 9.986 -0.330 180 HG12 VAL 23 HG12 VAL 23 -8.916 11.206 -1.274 181 HG13 VAL 23 HG13 VAL 23 -9.813 10.136 -0.196 182 HG21 VAL 23 HG21 VAL 23 -7.477 7.938 -2.438 183 HG22 VAL 23 HG22 VAL 23 -7.946 7.965 -0.738 184 HG23 VAL 23 HG23 VAL 23 -8.925 7.082 -1.909 185 H THR 24 H THR 24 -12.548 9.147 -0.560 186 HA THR 24 HA THR 24 -13.662 11.529 -1.671 187 HB THR 24 HB THR 24 -14.203 10.250 1.016 188 HG1 THR 24 HG1 THR 24 -15.257 8.828 -0.128 189 HG21 THR 24 HG21 THR 24 -14.998 12.745 0.041 190 HG22 THR 24 HG22 THR 24 -16.395 11.693 -0.189 191 HG23 THR 24 HG23 THR 24 -15.681 11.874 1.414 192 H MET 25 H MET 25 -13.084 13.567 -1.320 193 HA MET 25 HA MET 25 -11.663 14.228 1.168 194 HB2 MET 25 HB2 MET 25 -10.085 15.590 0.017 195 HB3 MET 25 HB3 MET 25 -10.109 14.037 -0.808 196 HG2 MET 25 HG2 MET 25 -12.014 15.879 -1.957 197 HG3 MET 25 HG3 MET 25 -10.381 16.541 -1.955 198 HE1 MET 25 HE1 MET 25 -9.832 16.396 -4.755 199 HE2 MET 25 HE2 MET 25 -8.722 16.138 -3.409 200 HE3 MET 25 HE3 MET 25 -8.706 15.039 -4.789 201 H LYS 26 H LYS 26 -11.931 16.375 1.919 202 HA LYS 26 HA LYS 26 -14.299 17.721 0.796 203 HB2 LYS 26 HB2 LYS 26 -13.286 17.465 3.617 204 HB3 LYS 26 HB3 LYS 26 -14.403 18.746 3.163 205 HG2 LYS 26 HG2 LYS 26 -15.471 16.346 2.149 206 HG3 LYS 26 HG3 LYS 26 -14.950 16.020 3.804 207 HD2 LYS 26 HD2 LYS 26 -16.429 17.522 4.709 208 HD3 LYS 26 HD3 LYS 26 -16.465 18.525 3.258 209 HE2 LYS 26 HE2 LYS 26 -18.162 17.363 2.354 210 HE3 LYS 26 HE3 LYS 26 -17.506 15.813 2.878 211 HZ1 LYS 26 HZ1 LYS 26 -19.713 16.806 3.887 212 HZ2 LYS 26 HZ2 LYS 26 -18.648 15.879 4.819 213 HZ3 LYS 26 HZ3 LYS 26 -18.620 17.567 4.931 214 H LYS 27 H LYS 27 -14.078 19.723 0.032 215 HA LYS 27 HA LYS 27 -11.739 20.967 -0.542 216 HB2 LYS 27 HB2 LYS 27 -14.075 21.631 -1.271 217 HB3 LYS 27 HB3 LYS 27 -14.211 22.510 0.246 218 HG2 LYS 27 HG2 LYS 27 -12.267 23.872 -0.390 219 HG3 LYS 27 HG3 LYS 27 -12.191 23.014 -1.930 220 HD2 LYS 27 HD2 LYS 27 -14.680 24.435 -1.033 221 HD3 LYS 27 HD3 LYS 27 -13.386 25.279 -1.886 222 HE2 LYS 27 HE2 LYS 27 -14.218 22.756 -3.127 223 HE3 LYS 27 HE3 LYS 27 -15.476 23.991 -3.077 224 HZ1 LYS 27 HZ1 LYS 27 -12.984 23.941 -4.575 225 HZ2 LYS 27 HZ2 LYS 27 -14.477 24.631 -4.976 226 HZ3 LYS 27 HZ3 LYS 27 -13.426 25.439 -3.924 227 H GLY 28 H GLY 28 -10.111 21.240 0.871 228 HA2 GLY 28 HA2 GLY 28 -9.128 22.836 2.400 229 HA3 GLY 28 HA3 GLY 28 -10.669 22.902 3.242 230 H ASP 29 H ASP 29 -9.220 19.902 2.179 231 HA ASP 29 HA ASP 29 -8.560 19.271 4.980 232 HB2 ASP 29 HB2 ASP 29 -9.779 17.365 4.964 233 HB3 ASP 29 HB3 ASP 29 -10.661 18.159 3.662 234 H ILE 30 H ILE 30 -6.999 17.474 5.207 235 HA ILE 30 HA ILE 30 -5.027 17.555 3.021 236 HB ILE 30 HB ILE 30 -4.765 17.862 5.886 237 HG12 ILE 30 HG12 ILE 30 -3.843 19.231 3.889 238 HG13 ILE 30 HG13 ILE 30 -2.815 19.015 5.302 239 HG21 ILE 30 HG21 ILE 30 -4.192 15.529 5.935 240 HG22 ILE 30 HG22 ILE 30 -3.088 15.729 4.574 241 HG23 ILE 30 HG23 ILE 30 -2.718 16.478 6.127 242 HD11 ILE 30 HD11 ILE 30 -1.857 18.689 2.907 243 HD12 ILE 30 HD12 ILE 30 -1.385 17.597 4.209 244 HD13 ILE 30 HD13 ILE 30 -2.603 17.096 3.036 245 H LEU 31 H LEU 31 -4.120 15.682 2.257 246 HA LEU 31 HA LEU 31 -5.097 13.151 3.392 247 HB2 LEU 31 HB2 LEU 31 -4.834 12.606 0.718 248 HB3 LEU 31 HB3 LEU 31 -6.349 12.887 1.573 249 HG LEU 31 HG LEU 31 -4.873 15.201 0.391 250 HD11 LEU 31 HD11 LEU 31 -5.216 13.201 -1.258 251 HD12 LEU 31 HD12 LEU 31 -6.895 13.741 -1.241 252 HD13 LEU 31 HD13 LEU 31 -5.619 14.846 -1.750 253 HD21 LEU 31 HD21 LEU 31 -7.712 15.190 0.067 254 HD22 LEU 31 HD22 LEU 31 -7.314 14.800 1.740 255 HD23 LEU 31 HD23 LEU 31 -6.705 16.286 1.012 256 H THR 32 H THR 32 -3.785 11.272 2.785 257 HA THR 32 HA THR 32 -0.953 12.012 2.646 258 HB THR 32 HB THR 32 -2.000 9.261 3.279 259 HG1 THR 32 HG1 THR 32 -1.838 11.549 4.937 260 HG21 THR 32 HG21 THR 32 0.101 8.872 4.222 261 HG22 THR 32 HG22 THR 32 0.472 9.820 2.782 262 HG23 THR 32 HG23 THR 32 0.459 10.592 4.368 263 H LEU 33 H LEU 33 -0.122 12.003 0.662 264 HA LEU 33 HA LEU 33 -1.213 10.652 -1.549 265 HB2 LEU 33 HB2 LEU 33 1.287 12.129 -0.970 266 HB3 LEU 33 HB3 LEU 33 1.302 11.053 -2.366 267 HG LEU 33 HG LEU 33 0.776 13.476 -2.830 268 HD11 LEU 33 HD11 LEU 33 -1.507 11.736 -3.665 269 HD12 LEU 33 HD12 LEU 33 -0.615 12.939 -4.597 270 HD13 LEU 33 HD13 LEU 33 0.131 11.387 -4.216 271 HD21 LEU 33 HD21 LEU 33 -1.776 12.719 -1.413 272 HD22 LEU 33 HD22 LEU 33 -0.631 13.977 -0.947 273 HD23 LEU 33 HD23 LEU 33 -1.578 14.151 -2.424 274 H LEU 34 H LEU 34 -0.571 8.799 -2.647 275 HA LEU 34 HA LEU 34 1.168 6.970 -1.126 276 HB2 LEU 34 HB2 LEU 34 -1.368 6.423 -2.642 277 HB3 LEU 34 HB3 LEU 34 -0.233 5.146 -2.210 278 HG LEU 34 HG LEU 34 -1.778 6.900 -0.302 279 HD11 LEU 34 HD11 LEU 34 -2.083 4.100 -1.288 280 HD12 LEU 34 HD12 LEU 34 -2.593 4.514 0.349 281 HD13 LEU 34 HD13 LEU 34 -3.307 5.343 -1.035 282 HD21 LEU 34 HD21 LEU 34 0.288 4.763 0.191 283 HD22 LEU 34 HD22 LEU 34 0.353 6.457 0.677 284 HD23 LEU 34 HD23 LEU 34 -0.816 5.369 1.425 285 H ASN 35 H ASN 35 -0.237 7.330 -4.389 286 HA ASN 35 HA ASN 35 2.172 6.175 -5.547 287 HB2 ASN 35 HB2 ASN 35 0.011 5.405 -6.393 288 HB3 ASN 35 HB3 ASN 35 -0.423 7.054 -6.834 289 HD21 ASN 35 HD21 ASN 35 2.650 5.362 -7.231 290 HD22 ASN 35 HD22 ASN 35 2.690 5.472 -8.955 291 H SER 36 H SER 36 0.162 8.954 -6.515 292 HA SER 36 HA SER 36 0.701 11.066 -7.176 293 HB2 SER 36 HB2 SER 36 2.750 10.385 -5.253 294 HB3 SER 36 HB3 SER 36 3.411 11.414 -6.522 295 HG SER 36 HG SER 36 1.566 12.815 -6.112 296 H THR 37 H THR 37 1.474 8.494 -8.658 297 HA THR 37 HA THR 37 3.542 9.563 -10.439 298 HB THR 37 HB THR 37 2.323 6.795 -10.366 299 HG1 THR 37 HG1 THR 37 4.973 7.448 -9.631 300 HG21 THR 37 HG21 THR 37 3.120 6.899 -12.512 301 HG22 THR 37 HG22 THR 37 4.336 8.114 -12.118 302 HG23 THR 37 HG23 THR 37 4.598 6.428 -11.673 303 H ASN 38 H ASN 38 0.173 8.597 -10.361 304 HA ASN 38 HA ASN 38 -0.116 9.156 -13.217 305 HB2 ASN 38 HB2 ASN 38 -1.198 7.134 -12.541 306 HB3 ASN 38 HB3 ASN 38 -1.978 7.933 -11.179 307 HD21 ASN 38 HD21 ASN 38 -1.661 8.892 -14.570 308 HD22 ASN 38 HD22 ASN 38 -3.358 8.995 -14.880 309 H LYS 39 H LYS 39 -0.126 11.330 -13.482 310 HA LYS 39 HA LYS 39 -1.047 13.297 -11.817 311 HB2 LYS 39 HB2 LYS 39 0.150 13.882 -13.805 312 HB3 LYS 39 HB3 LYS 39 -1.086 13.169 -14.832 313 HG2 LYS 39 HG2 LYS 39 -2.665 14.895 -14.147 314 HG3 LYS 39 HG3 LYS 39 -1.437 15.606 -13.098 315 HD2 LYS 39 HD2 LYS 39 -0.208 15.380 -15.589 316 HD3 LYS 39 HD3 LYS 39 -1.848 15.931 -15.942 317 HE2 LYS 39 HE2 LYS 39 -1.443 17.647 -14.068 318 HE3 LYS 39 HE3 LYS 39 0.262 17.241 -14.258 319 HZ1 LYS 39 HZ1 LYS 39 -0.468 19.182 -15.584 320 HZ2 LYS 39 HZ2 LYS 39 0.197 17.942 -16.522 321 HZ3 LYS 39 HZ3 LYS 39 -1.480 18.162 -16.478 322 H ASP 40 H ASP 40 -2.933 11.646 -14.346 323 HA ASP 40 HA ASP 40 -5.341 12.933 -14.080 324 HB2 ASP 40 HB2 ASP 40 -5.152 9.942 -14.416 325 HB3 ASP 40 HB3 ASP 40 -6.368 11.034 -15.071 326 H TRP 41 H TRP 41 -4.149 10.198 -12.159 327 HA TRP 41 HA TRP 41 -5.986 10.976 -10.020 328 HB2 TRP 41 HB2 TRP 41 -5.869 8.266 -11.326 329 HB3 TRP 41 HB3 TRP 41 -6.425 8.460 -9.666 330 HD1 TRP 41 HD1 TRP 41 -7.464 9.129 -13.271 331 HE1 TRP 41 HE1 TRP 41 -9.952 9.786 -13.311 332 HE3 TRP 41 HE3 TRP 41 -8.267 9.579 -8.242 333 HZ2 TRP 41 HZ2 TRP 41 -11.986 10.413 -11.457 334 HZ3 TRP 41 HZ3 TRP 41 -10.511 10.211 -7.458 335 HH2 TRP 41 HH2 TRP 41 -12.331 10.620 -9.033 336 H TRP 42 H TRP 42 -4.801 11.270 -8.263 337 HA TRP 42 HA TRP 42 -2.273 9.817 -7.980 338 HB2 TRP 42 HB2 TRP 42 -3.361 12.336 -6.744 339 HB3 TRP 42 HB3 TRP 42 -1.967 11.509 -6.054 340 HD1 TRP 42 HD1 TRP 42 -0.842 10.730 -9.103 341 HE1 TRP 42 HE1 TRP 42 0.419 12.586 -10.364 342 HE3 TRP 42 HE3 TRP 42 -2.563 14.787 -6.511 343 HZ2 TRP 42 HZ2 TRP 42 0.653 15.398 -10.272 344 HZ3 TRP 42 HZ3 TRP 42 -1.771 17.024 -7.161 345 HH2 TRP 42 HH2 TRP 42 -0.196 17.321 -9.002 346 H LYS 43 H LYS 43 -2.536 7.915 -6.989 347 HA LYS 43 HA LYS 43 -4.591 7.210 -5.243 348 HB2 LYS 43 HB2 LYS 43 -3.287 5.504 -6.318 349 HB3 LYS 43 HB3 LYS 43 -1.807 6.084 -5.565 350 HG2 LYS 43 HG2 LYS 43 -3.019 5.536 -3.341 351 HG3 LYS 43 HG3 LYS 43 -4.061 4.540 -4.360 352 HD2 LYS 43 HD2 LYS 43 -1.129 4.260 -4.716 353 HD3 LYS 43 HD3 LYS 43 -1.833 3.601 -3.238 354 HE2 LYS 43 HE2 LYS 43 -2.466 1.805 -4.380 355 HE3 LYS 43 HE3 LYS 43 -3.523 2.827 -5.353 356 HZ1 LYS 43 HZ1 LYS 43 -0.729 2.861 -6.116 357 HZ2 LYS 43 HZ2 LYS 43 -1.513 1.380 -6.349 358 HZ3 LYS 43 HZ3 LYS 43 -2.115 2.781 -7.082 359 H VAL 44 H VAL 44 -4.934 7.454 -3.114 360 HA VAL 44 HA VAL 44 -2.735 8.280 -1.376 361 HB VAL 44 HB VAL 44 -3.935 10.138 -0.427 362 HG11 VAL 44 HG11 VAL 44 -3.450 11.647 -2.058 363 HG12 VAL 44 HG12 VAL 44 -2.687 10.227 -2.773 364 HG13 VAL 44 HG13 VAL 44 -4.289 10.731 -3.310 365 HG21 VAL 44 HG21 VAL 44 -6.201 9.346 -0.608 366 HG22 VAL 44 HG22 VAL 44 -6.078 10.910 -1.415 367 HG23 VAL 44 HG23 VAL 44 -6.130 9.427 -2.368 368 H GLU 45 H GLU 45 -3.593 8.450 0.969 369 HA GLU 45 HA GLU 45 -5.567 6.311 1.428 370 HB2 GLU 45 HB2 GLU 45 -3.436 5.367 1.940 371 HB3 GLU 45 HB3 GLU 45 -2.941 6.801 2.829 372 HG2 GLU 45 HG2 GLU 45 -4.573 6.322 4.558 373 HG3 GLU 45 HG3 GLU 45 -5.139 4.918 3.656 374 H VAL 46 H VAL 46 -7.252 6.913 2.608 375 HA VAL 46 HA VAL 46 -6.927 8.994 4.643 376 HB VAL 46 HB VAL 46 -9.169 9.954 3.885 377 HG11 VAL 46 HG11 VAL 46 -7.092 10.467 1.809 378 HG12 VAL 46 HG12 VAL 46 -8.099 11.606 2.703 379 HG13 VAL 46 HG13 VAL 46 -6.727 10.831 3.496 380 HG21 VAL 46 HG21 VAL 46 -9.548 7.979 2.309 381 HG22 VAL 46 HG22 VAL 46 -9.924 9.588 1.694 382 HG23 VAL 46 HG23 VAL 46 -8.425 8.791 1.217 383 H ASN 47 H ASN 47 -7.959 8.527 6.483 384 HA ASN 47 HA ASN 47 -9.010 7.164 8.007 385 HB2 ASN 47 HB2 ASN 47 -11.540 6.929 7.312 386 HB3 ASN 47 HB3 ASN 47 -10.871 8.504 7.727 387 HD21 ASN 47 HD21 ASN 47 -11.961 6.437 5.151 388 HD22 ASN 47 HD22 ASN 47 -12.101 7.672 3.950 389 H ASP 48 H ASP 48 -7.564 5.379 7.101 390 HA ASP 48 HA ASP 48 -7.246 3.262 6.268 391 HB2 ASP 48 HB2 ASP 48 -8.892 3.240 8.437 392 HB3 ASP 48 HB3 ASP 48 -9.873 2.366 7.264 393 H ARG 49 H ARG 49 -8.455 5.005 4.358 394 HA ARG 49 HA ARG 49 -9.735 2.993 2.677 395 HB2 ARG 49 HB2 ARG 49 -11.112 5.255 3.845 396 HB3 ARG 49 HB3 ARG 49 -11.134 5.345 2.089 397 HG2 ARG 49 HG2 ARG 49 -11.938 2.873 3.592 398 HG3 ARG 49 HG3 ARG 49 -13.074 4.160 3.184 399 HD2 ARG 49 HD2 ARG 49 -11.657 3.582 0.828 400 HD3 ARG 49 HD3 ARG 49 -12.074 2.026 1.545 401 HE ARG 49 HE ARG 49 -14.291 2.444 1.104 402 HH11 ARG 49 HH11 ARG 49 -12.434 5.353 0.643 403 HH12 ARG 49 HH12 ARG 49 -13.738 6.224 -0.094 404 HH21 ARG 49 HH21 ARG 49 -16.015 3.580 0.136 405 HH22 ARG 49 HH22 ARG 49 -15.775 5.215 -0.381 406 H GLN 50 H GLN 50 -7.710 3.029 1.584 407 HA GLN 50 HA GLN 50 -6.928 5.507 0.270 408 HB2 GLN 50 HB2 GLN 50 -4.921 4.370 -0.366 409 HB3 GLN 50 HB3 GLN 50 -5.239 3.984 1.320 410 HG2 GLN 50 HG2 GLN 50 -4.827 1.887 0.666 411 HG3 GLN 50 HG3 GLN 50 -6.496 1.932 0.103 412 HE21 GLN 50 HE21 GLN 50 -3.169 2.521 -0.918 413 HE22 GLN 50 HE22 GLN 50 -3.410 2.084 -2.572 414 H GLY 51 H GLY 51 -6.846 5.794 -1.961 415 HA2 GLY 51 HA2 GLY 51 -7.704 3.722 -3.766 416 HA3 GLY 51 HA3 GLY 51 -8.927 4.957 -3.506 417 H PHE 52 H PHE 52 -8.894 6.651 -4.822 418 HA PHE 52 HA PHE 52 -6.356 7.526 -5.981 419 HB2 PHE 52 HB2 PHE 52 -8.795 6.690 -7.545 420 HB3 PHE 52 HB3 PHE 52 -7.567 7.757 -8.221 421 HD1 PHE 52 HD1 PHE 52 -8.637 4.562 -8.359 422 HD2 PHE 52 HD2 PHE 52 -5.060 6.722 -7.546 423 HE1 PHE 52 HE1 PHE 52 -7.306 2.601 -9.020 424 HE2 PHE 52 HE2 PHE 52 -3.724 4.765 -8.207 425 HZ PHE 52 HZ PHE 52 -4.847 2.701 -8.945 426 H VAL 53 H VAL 53 -6.154 9.661 -5.866 427 HA VAL 53 HA VAL 53 -8.585 11.270 -5.449 428 HB VAL 53 HB VAL 53 -6.359 11.125 -3.847 429 HG11 VAL 53 HG11 VAL 53 -5.059 12.312 -5.602 430 HG12 VAL 53 HG12 VAL 53 -6.139 13.693 -5.412 431 HG13 VAL 53 HG13 VAL 53 -5.125 13.174 -4.065 432 HG21 VAL 53 HG21 VAL 53 -7.634 12.407 -2.530 433 HG22 VAL 53 HG22 VAL 53 -7.683 13.718 -3.707 434 HG23 VAL 53 HG23 VAL 53 -8.811 12.369 -3.843 435 HA PRO 54 HA PRO 54 -7.833 13.227 -9.333 436 HB2 PRO 54 HB2 PRO 54 -9.393 15.418 -8.961 437 HB3 PRO 54 HB3 PRO 54 -10.055 13.812 -9.287 438 HG2 PRO 54 HG2 PRO 54 -9.758 15.244 -6.675 439 HG3 PRO 54 HG3 PRO 54 -11.127 14.293 -7.280 440 HD2 PRO 54 HD2 PRO 54 -9.327 13.299 -5.517 441 HD3 PRO 54 HD3 PRO 54 -10.136 12.285 -6.729 442 H ALA 55 H ALA 55 -5.960 14.191 -9.786 443 HA ALA 55 HA ALA 55 -4.522 15.846 -8.029 444 HB1 ALA 55 HB1 ALA 55 -3.522 14.541 -9.882 445 HB2 ALA 55 HB2 ALA 55 -4.222 15.688 -11.025 446 HB3 ALA 55 HB3 ALA 55 -3.011 16.229 -9.863 447 H ALA 56 H ALA 56 -6.218 16.723 -11.047 448 HA ALA 56 HA ALA 56 -5.887 19.442 -10.997 449 HB1 ALA 56 HB1 ALA 56 -6.954 18.249 -12.840 450 HB2 ALA 56 HB2 ALA 56 -8.378 17.965 -11.840 451 HB3 ALA 56 HB3 ALA 56 -7.941 19.609 -12.305 452 H TYR 57 H TYR 57 -8.101 17.503 -9.089 453 HA TYR 57 HA TYR 57 -9.304 19.898 -7.925 454 HB2 TYR 57 HB2 TYR 57 -9.956 16.960 -7.675 455 HB3 TYR 57 HB3 TYR 57 -10.757 18.206 -6.724 456 HD1 TYR 57 HD1 TYR 57 -11.149 16.210 -9.490 457 HD2 TYR 57 HD2 TYR 57 -11.549 20.284 -8.330 458 HE1 TYR 57 HE1 TYR 57 -12.752 16.567 -11.320 459 HE2 TYR 57 HE2 TYR 57 -13.155 20.652 -10.157 460 HH TYR 57 HH TYR 57 -14.842 18.792 -11.527 461 H VAL 58 H VAL 58 -6.589 19.532 -7.356 462 HA VAL 58 HA VAL 58 -6.717 19.324 -4.454 463 HB VAL 58 HB VAL 58 -5.863 17.121 -5.774 464 HG11 VAL 58 HG11 VAL 58 -3.528 17.009 -5.952 465 HG12 VAL 58 HG12 VAL 58 -3.954 18.562 -6.673 466 HG13 VAL 58 HG13 VAL 58 -3.299 18.499 -5.036 467 HG21 VAL 58 HG21 VAL 58 -4.660 18.066 -3.177 468 HG22 VAL 58 HG22 VAL 58 -6.303 17.445 -3.335 469 HG23 VAL 58 HG23 VAL 58 -4.927 16.401 -3.693 470 H LYS 59 H LYS 59 -4.541 19.979 -3.481 471 HA LYS 59 HA LYS 59 -2.880 21.672 -5.127 472 HB2 LYS 59 HB2 LYS 59 -5.062 22.767 -3.536 473 HB3 LYS 59 HB3 LYS 59 -3.504 23.447 -3.087 474 HG2 LYS 59 HG2 LYS 59 -4.523 23.343 -5.915 475 HG3 LYS 59 HG3 LYS 59 -4.753 24.720 -4.834 476 HD2 LYS 59 HD2 LYS 59 -2.146 24.510 -4.547 477 HD3 LYS 59 HD3 LYS 59 -2.260 23.693 -6.107 478 HE2 LYS 59 HE2 LYS 59 -2.350 25.671 -7.111 479 HE3 LYS 59 HE3 LYS 59 -3.859 26.013 -6.267 480 HZ1 LYS 59 HZ1 LYS 59 -2.802 27.239 -4.676 481 HZ2 LYS 59 HZ2 LYS 59 -1.327 26.427 -4.846 482 HZ3 LYS 59 HZ3 LYS 59 -1.802 27.570 -6.000 483 H LYS 60 H LYS 60 -0.910 21.143 -4.476 484 HA LYS 60 HA LYS 60 -0.325 19.924 -2.000 485 HB2 LYS 60 HB2 LYS 60 0.980 19.992 -4.303 486 HB3 LYS 60 HB3 LYS 60 1.806 21.342 -3.538 487 HG2 LYS 60 HG2 LYS 60 1.610 18.555 -2.414 488 HG3 LYS 60 HG3 LYS 60 3.010 19.233 -3.248 489 HD2 LYS 60 HD2 LYS 60 2.614 21.123 -1.366 490 HD3 LYS 60 HD3 LYS 60 2.019 19.700 -0.507 491 HE2 LYS 60 HE2 LYS 60 4.117 19.127 -0.062 492 HE3 LYS 60 HE3 LYS 60 4.413 18.942 -1.790 493 HZ1 LYS 60 HZ1 LYS 60 4.681 21.530 -1.639 494 HZ2 LYS 60 HZ2 LYS 60 5.054 21.188 -0.024 495 HZ3 LYS 60 HZ3 LYS 60 5.970 20.498 -1.268 496 H LEU 61 H LEU 61 -1.056 21.215 -0.315 497 HA LEU 61 HA LEU 61 0.467 23.702 0.106 498 HB2 LEU 61 HB2 LEU 61 -2.261 23.120 1.232 499 HB3 LEU 61 HB3 LEU 61 -1.390 24.652 1.250 500 HG LEU 61 HG LEU 61 -2.209 23.408 -1.348 501 HD11 LEU 61 HD11 LEU 61 -4.364 23.612 -0.866 502 HD12 LEU 61 HD12 LEU 61 -3.996 24.290 0.720 503 HD13 LEU 61 HD13 LEU 61 -4.113 25.349 -0.686 504 HD21 LEU 61 HD21 LEU 61 -1.703 25.416 -2.243 505 HD22 LEU 61 HD22 LEU 61 -2.297 26.311 -0.844 506 HD23 LEU 61 HD23 LEU 61 -0.699 25.568 -0.801 507 H ASP 62 H ASP 62 1.792 21.623 0.931 508 HA ASP 62 HA ASP 62 2.712 20.518 2.699 509 HB2 ASP 62 HB2 ASP 62 1.915 23.180 3.711 510 HB3 ASP 62 HB3 ASP 62 2.268 21.971 4.942 Start of MODEL 8 1 H1 MET 1 H MET 1 0.018 4.464 3.212 2 HA MET 1 HA MET 1 2.308 3.026 3.261 3 HB2 MET 1 HB2 MET 1 0.762 1.981 0.901 4 HB3 MET 1 HB3 MET 1 2.280 1.389 1.563 5 HG2 MET 1 HG2 MET 1 1.007 0.721 3.618 6 HG3 MET 1 HG3 MET 1 -0.470 1.105 2.736 7 HE1 MET 1 HE1 MET 1 -1.461 -0.786 0.665 8 HE2 MET 1 HE2 MET 1 -0.318 0.440 0.116 9 HE3 MET 1 HE3 MET 1 -0.097 -1.246 -0.354 10 H ASP 2 H ASP 2 3.290 2.982 0.723 11 HA ASP 2 HA ASP 2 2.521 5.233 -0.838 12 HB2 ASP 2 HB2 ASP 2 4.944 6.277 -0.355 13 HB3 ASP 2 HB3 ASP 2 3.504 6.767 0.534 14 H GLU 3 H GLU 3 5.783 4.051 -0.080 15 HA GLU 3 HA GLU 3 7.400 3.158 -1.418 16 HB2 GLU 3 HB2 GLU 3 5.140 1.466 -1.450 17 HB3 GLU 3 HB3 GLU 3 5.754 1.503 -3.097 18 HG2 GLU 3 HG2 GLU 3 7.995 0.915 -2.223 19 HG3 GLU 3 HG3 GLU 3 7.284 0.753 -0.618 20 H THR 4 H THR 4 6.025 5.573 -2.380 21 HA THR 4 HA THR 4 7.130 5.610 -5.025 22 HB THR 4 HB THR 4 4.199 6.261 -4.925 23 HG1 THR 4 HG1 THR 4 3.840 4.134 -5.758 24 HG21 THR 4 HG21 THR 4 4.313 6.285 -7.237 25 HG22 THR 4 HG22 THR 4 5.900 6.916 -6.796 26 HG23 THR 4 HG23 THR 4 5.726 5.230 -7.282 27 H GLY 5 H GLY 5 7.451 7.031 -2.513 28 HA2 GLY 5 HA2 GLY 5 8.146 9.240 -2.157 29 HA3 GLY 5 HA3 GLY 5 7.238 9.732 -3.579 30 H LYS 6 H LYS 6 7.212 9.366 -0.165 31 HA LYS 6 HA LYS 6 4.384 9.669 0.188 32 HB2 LYS 6 HB2 LYS 6 4.994 10.062 2.578 33 HB3 LYS 6 HB3 LYS 6 5.631 8.562 1.917 34 HG2 LYS 6 HG2 LYS 6 7.612 10.480 1.462 35 HG3 LYS 6 HG3 LYS 6 7.025 10.774 3.100 36 HD2 LYS 6 HD2 LYS 6 7.522 7.955 2.331 37 HD3 LYS 6 HD3 LYS 6 8.936 8.990 2.544 38 HE2 LYS 6 HE2 LYS 6 8.577 8.052 4.657 39 HE3 LYS 6 HE3 LYS 6 7.879 9.667 4.771 40 HZ1 LYS 6 HZ1 LYS 6 5.693 8.631 4.273 41 HZ2 LYS 6 HZ2 LYS 6 6.423 7.109 4.400 42 HZ3 LYS 6 HZ3 LYS 6 6.366 8.135 5.744 43 H GLU 7 H GLU 7 3.314 11.482 -0.209 44 HA GLU 7 HA GLU 7 4.529 14.039 0.563 45 HB2 GLU 7 HB2 GLU 7 4.266 13.231 -2.084 46 HB3 GLU 7 HB3 GLU 7 2.878 14.278 -1.822 47 HG2 GLU 7 HG2 GLU 7 5.464 15.284 -0.831 48 HG3 GLU 7 HG3 GLU 7 5.290 15.162 -2.581 49 H LEU 8 H LEU 8 2.764 15.834 0.340 50 HA LEU 8 HA LEU 8 0.175 14.772 1.246 51 HB2 LEU 8 HB2 LEU 8 2.077 16.279 2.758 52 HB3 LEU 8 HB3 LEU 8 0.619 17.244 2.534 53 HG LEU 8 HG LEU 8 -0.723 15.614 3.639 54 HD11 LEU 8 HD11 LEU 8 0.379 13.538 4.575 55 HD12 LEU 8 HD12 LEU 8 0.112 13.562 2.832 56 HD13 LEU 8 HD13 LEU 8 1.722 13.872 3.483 57 HD21 LEU 8 HD21 LEU 8 -0.054 16.515 5.552 58 HD22 LEU 8 HD22 LEU 8 1.209 15.290 5.663 59 HD23 LEU 8 HD23 LEU 8 1.545 16.834 4.880 60 H VAL 9 H VAL 9 -1.641 16.048 0.781 61 HA VAL 9 HA VAL 9 -1.252 18.466 -0.805 62 HB VAL 9 HB VAL 9 -2.688 17.730 -2.611 63 HG11 VAL 9 HG11 VAL 9 -0.421 15.822 -2.052 64 HG12 VAL 9 HG12 VAL 9 -1.225 15.993 -3.612 65 HG13 VAL 9 HG13 VAL 9 -0.334 17.351 -2.926 66 HG21 VAL 9 HG21 VAL 9 -2.901 15.216 -0.984 67 HG22 VAL 9 HG22 VAL 9 -4.193 16.225 -1.633 68 HG23 VAL 9 HG23 VAL 9 -3.224 15.228 -2.718 69 H LEU 10 H LEU 10 -3.420 19.490 -1.331 70 HA LEU 10 HA LEU 10 -5.279 19.053 0.914 71 HB2 LEU 10 HB2 LEU 10 -4.211 21.536 -0.337 72 HB3 LEU 10 HB3 LEU 10 -5.843 21.558 0.328 73 HG LEU 10 HG LEU 10 -4.066 22.424 1.857 74 HD11 LEU 10 HD11 LEU 10 -5.067 21.556 3.768 75 HD12 LEU 10 HD12 LEU 10 -6.304 21.351 2.528 76 HD13 LEU 10 HD13 LEU 10 -5.326 19.974 3.033 77 HD21 LEU 10 HD21 LEU 10 -3.248 19.530 2.060 78 HD22 LEU 10 HD22 LEU 10 -2.342 20.758 1.175 79 HD23 LEU 10 HD23 LEU 10 -2.552 20.904 2.920 80 H ALA 11 H ALA 11 -7.471 19.088 0.513 81 HA ALA 11 HA ALA 11 -8.301 18.317 -2.095 82 HB1 ALA 11 HB1 ALA 11 -9.692 18.813 0.500 83 HB2 ALA 11 HB2 ALA 11 -10.638 18.636 -0.978 84 HB3 ALA 11 HB3 ALA 11 -9.576 17.331 -0.450 85 H LEU 12 H LEU 12 -8.333 19.743 -3.716 86 HA LEU 12 HA LEU 12 -8.880 22.534 -3.297 87 HB2 LEU 12 HB2 LEU 12 -7.294 21.540 -5.012 88 HB3 LEU 12 HB3 LEU 12 -8.729 21.107 -5.939 89 HG LEU 12 HG LEU 12 -9.317 23.480 -6.124 90 HD11 LEU 12 HD11 LEU 12 -6.983 24.819 -5.467 91 HD12 LEU 12 HD12 LEU 12 -8.513 24.876 -4.592 92 HD13 LEU 12 HD13 LEU 12 -7.260 23.734 -4.105 93 HD21 LEU 12 HD21 LEU 12 -7.046 24.110 -7.359 94 HD22 LEU 12 HD22 LEU 12 -6.752 22.387 -7.128 95 HD23 LEU 12 HD23 LEU 12 -8.180 22.927 -8.011 96 H TYR 13 H TYR 13 -10.671 19.725 -4.278 97 HA TYR 13 HA TYR 13 -13.098 21.361 -4.401 98 HB2 TYR 13 HB2 TYR 13 -12.596 21.087 -6.712 99 HB3 TYR 13 HB3 TYR 13 -12.188 19.389 -6.496 100 HD1 TYR 13 HD1 TYR 13 -13.703 18.010 -7.544 101 HD2 TYR 13 HD2 TYR 13 -15.140 21.506 -5.590 102 HE1 TYR 13 HE1 TYR 13 -16.008 17.380 -8.125 103 HE2 TYR 13 HE2 TYR 13 -17.449 20.885 -6.165 104 HH TYR 13 HH TYR 13 -18.772 19.294 -7.009 105 H ASP 14 H ASP 14 -14.789 20.486 -3.361 106 HA ASP 14 HA ASP 14 -14.456 18.252 -1.693 107 HB2 ASP 14 HB2 ASP 14 -16.227 20.297 -1.777 108 HB3 ASP 14 HB3 ASP 14 -17.228 18.995 -2.414 109 H TYR 15 H TYR 15 -13.914 16.389 -2.751 110 HA TYR 15 HA TYR 15 -15.700 15.418 -4.860 111 HB2 TYR 15 HB2 TYR 15 -12.954 15.381 -4.654 112 HB3 TYR 15 HB3 TYR 15 -13.394 13.744 -4.181 113 HD1 TYR 15 HD1 TYR 15 -14.726 12.331 -5.766 114 HD2 TYR 15 HD2 TYR 15 -13.065 16.075 -6.916 115 HE1 TYR 15 HE1 TYR 15 -14.987 11.713 -8.133 116 HE2 TYR 15 HE2 TYR 15 -13.323 15.469 -9.286 117 HH TYR 15 HH TYR 15 -15.212 12.905 -10.332 118 H GLN 16 H GLN 16 -17.117 13.831 -4.519 119 HA GLN 16 HA GLN 16 -17.139 12.541 -1.891 120 HB2 GLN 16 HB2 GLN 16 -19.156 13.647 -3.483 121 HB3 GLN 16 HB3 GLN 16 -19.403 11.909 -3.583 122 HG2 GLN 16 HG2 GLN 16 -18.955 12.336 -0.899 123 HG3 GLN 16 HG3 GLN 16 -19.900 13.741 -1.390 124 HE21 GLN 16 HE21 GLN 16 -20.440 11.209 0.210 125 HE22 GLN 16 HE22 GLN 16 -21.915 10.608 -0.458 126 H GLU 17 H GLU 17 -16.522 11.897 -5.205 127 HA GLU 17 HA GLU 17 -15.839 10.029 -6.310 128 HB2 GLU 17 HB2 GLU 17 -15.653 8.709 -3.601 129 HB3 GLU 17 HB3 GLU 17 -14.813 8.242 -5.074 130 HG2 GLU 17 HG2 GLU 17 -14.391 10.817 -3.574 131 HG3 GLU 17 HG3 GLU 17 -13.353 9.395 -3.480 132 H LYS 18 H LYS 18 -16.405 7.638 -6.644 133 HA LYS 18 HA LYS 18 -18.995 6.835 -5.628 134 HB2 LYS 18 HB2 LYS 18 -18.561 7.588 -8.516 135 HB3 LYS 18 HB3 LYS 18 -19.867 6.528 -8.003 136 HG2 LYS 18 HG2 LYS 18 -19.443 9.373 -7.111 137 HG3 LYS 18 HG3 LYS 18 -20.646 8.810 -8.274 138 HD2 LYS 18 HD2 LYS 18 -20.967 7.231 -5.967 139 HD3 LYS 18 HD3 LYS 18 -20.792 8.897 -5.411 140 HE2 LYS 18 HE2 LYS 18 -22.543 9.558 -7.053 141 HE3 LYS 18 HE3 LYS 18 -22.776 7.850 -7.426 142 HZ1 LYS 18 HZ1 LYS 18 -22.899 8.478 -4.613 143 HZ2 LYS 18 HZ2 LYS 18 -24.120 9.204 -5.531 144 HZ3 LYS 18 HZ3 LYS 18 -23.930 7.523 -5.556 145 H SER 19 H SER 19 -16.147 5.903 -5.787 146 HA SER 19 HA SER 19 -16.760 3.159 -6.497 147 HB2 SER 19 HB2 SER 19 -15.261 4.858 -8.262 148 HB3 SER 19 HB3 SER 19 -14.204 3.593 -7.635 149 HG SER 19 HG SER 19 -16.312 3.418 -9.379 150 HA PRO 20 HA PRO 20 -14.132 2.226 -3.111 151 HB2 PRO 20 HB2 PRO 20 -13.056 -0.147 -3.874 152 HB3 PRO 20 HB3 PRO 20 -14.744 0.027 -3.380 153 HG2 PRO 20 HG2 PRO 20 -13.581 -0.097 -6.135 154 HG3 PRO 20 HG3 PRO 20 -15.035 -0.887 -5.498 155 HD2 PRO 20 HD2 PRO 20 -15.139 1.369 -6.991 156 HD3 PRO 20 HD3 PRO 20 -16.315 1.018 -5.709 157 H ARG 21 H ARG 21 -12.736 2.301 -6.315 158 HA ARG 21 HA ARG 21 -10.016 2.348 -5.296 159 HB2 ARG 21 HB2 ARG 21 -9.317 2.033 -7.464 160 HB3 ARG 21 HB3 ARG 21 -10.914 1.303 -7.540 161 HG2 ARG 21 HG2 ARG 21 -11.690 3.651 -8.294 162 HG3 ARG 21 HG3 ARG 21 -9.980 3.917 -8.641 163 HD2 ARG 21 HD2 ARG 21 -10.029 2.602 -10.454 164 HD3 ARG 21 HD3 ARG 21 -10.995 1.370 -9.644 165 HE ARG 21 HE ARG 21 -11.956 3.526 -11.303 166 HH11 ARG 21 HH11 ARG 21 -12.752 1.177 -8.859 167 HH12 ARG 21 HH12 ARG 21 -14.445 1.178 -9.225 168 HH21 ARG 21 HH21 ARG 21 -14.184 3.535 -11.794 169 HH22 ARG 21 HH22 ARG 21 -15.259 2.518 -10.895 170 H GLU 22 H GLU 22 -12.233 4.522 -4.994 171 HA GLU 22 HA GLU 22 -10.593 6.786 -5.921 172 HB2 GLU 22 HB2 GLU 22 -13.556 6.483 -5.521 173 HB3 GLU 22 HB3 GLU 22 -12.805 8.073 -5.524 174 HG2 GLU 22 HG2 GLU 22 -11.956 7.691 -7.767 175 HG3 GLU 22 HG3 GLU 22 -12.653 6.072 -7.767 176 H VAL 23 H VAL 23 -10.693 8.737 -4.516 177 HA VAL 23 HA VAL 23 -10.856 7.995 -1.667 178 HB VAL 23 HB VAL 23 -8.743 9.557 -3.117 179 HG11 VAL 23 HG11 VAL 23 -9.818 10.078 -0.436 180 HG12 VAL 23 HG12 VAL 23 -8.065 9.892 -0.509 181 HG13 VAL 23 HG13 VAL 23 -8.864 11.113 -1.500 182 HG21 VAL 23 HG21 VAL 23 -8.057 7.806 -0.871 183 HG22 VAL 23 HG22 VAL 23 -8.844 6.985 -2.219 184 HG23 VAL 23 HG23 VAL 23 -7.362 7.903 -2.489 185 H THR 24 H THR 24 -12.537 9.019 -0.810 186 HA THR 24 HA THR 24 -13.631 11.420 -1.901 187 HB THR 24 HB THR 24 -14.221 10.036 0.723 188 HG1 THR 24 HG1 THR 24 -14.845 8.719 -0.950 189 HG21 THR 24 HG21 THR 24 -15.569 11.732 1.242 190 HG22 THR 24 HG22 THR 24 -14.979 12.609 -0.170 191 HG23 THR 24 HG23 THR 24 -16.401 11.574 -0.305 192 H MET 25 H MET 25 -12.977 13.431 -1.547 193 HA MET 25 HA MET 25 -11.619 14.048 0.991 194 HB2 MET 25 HB2 MET 25 -10.034 15.433 -0.115 195 HB3 MET 25 HB3 MET 25 -10.058 13.907 -0.988 196 HG2 MET 25 HG2 MET 25 -11.949 15.820 -2.068 197 HG3 MET 25 HG3 MET 25 -10.295 16.430 -2.072 198 HE1 MET 25 HE1 MET 25 -8.725 16.080 -3.574 199 HE2 MET 25 HE2 MET 25 -8.681 14.956 -4.932 200 HE3 MET 25 HE3 MET 25 -9.817 16.305 -4.941 201 H LYS 26 H LYS 26 -11.870 16.201 1.764 202 HA LYS 26 HA LYS 26 -14.244 17.558 0.668 203 HB2 LYS 26 HB2 LYS 26 -13.412 16.895 3.413 204 HB3 LYS 26 HB3 LYS 26 -14.008 18.536 3.206 205 HG2 LYS 26 HG2 LYS 26 -15.730 16.654 1.872 206 HG3 LYS 26 HG3 LYS 26 -15.514 16.222 3.570 207 HD2 LYS 26 HD2 LYS 26 -15.996 19.080 2.998 208 HD3 LYS 26 HD3 LYS 26 -17.351 17.987 2.707 209 HE2 LYS 26 HE2 LYS 26 -16.050 17.384 5.211 210 HE3 LYS 26 HE3 LYS 26 -16.545 19.075 5.150 211 HZ1 LYS 26 HZ1 LYS 26 -18.202 16.652 5.043 212 HZ2 LYS 26 HZ2 LYS 26 -18.426 18.067 5.944 213 HZ3 LYS 26 HZ3 LYS 26 -18.756 18.059 4.285 214 H LYS 27 H LYS 27 -14.013 19.572 -0.059 215 HA LYS 27 HA LYS 27 -11.679 20.835 -0.589 216 HB2 LYS 27 HB2 LYS 27 -14.007 21.521 -1.310 217 HB3 LYS 27 HB3 LYS 27 -14.157 22.350 0.234 218 HG2 LYS 27 HG2 LYS 27 -12.207 23.734 -0.346 219 HG3 LYS 27 HG3 LYS 27 -12.130 22.931 -1.917 220 HD2 LYS 27 HD2 LYS 27 -13.290 24.954 -2.286 221 HD3 LYS 27 HD3 LYS 27 -14.525 23.692 -2.265 222 HE2 LYS 27 HE2 LYS 27 -15.282 25.601 -0.989 223 HE3 LYS 27 HE3 LYS 27 -15.002 24.236 0.091 224 HZ1 LYS 27 HZ1 LYS 27 -12.638 25.744 -0.129 225 HZ2 LYS 27 HZ2 LYS 27 -13.912 26.791 0.251 226 HZ3 LYS 27 HZ3 LYS 27 -13.585 25.460 1.244 227 H GLY 28 H GLY 28 -10.053 21.064 0.834 228 HA2 GLY 28 HA2 GLY 28 -9.060 22.607 2.405 229 HA3 GLY 28 HA3 GLY 28 -10.607 22.681 3.236 230 H ASP 29 H ASP 29 -9.139 19.698 2.126 231 HA ASP 29 HA ASP 29 -8.530 19.001 4.921 232 HB2 ASP 29 HB2 ASP 29 -9.771 17.109 4.859 233 HB3 ASP 29 HB3 ASP 29 -10.630 17.936 3.563 234 H ILE 30 H ILE 30 -6.930 17.295 5.173 235 HA ILE 30 HA ILE 30 -4.960 17.359 2.991 236 HB ILE 30 HB ILE 30 -4.728 17.593 5.871 237 HG12 ILE 30 HG12 ILE 30 -3.805 19.027 3.912 238 HG13 ILE 30 HG13 ILE 30 -2.798 18.793 5.337 239 HG21 ILE 30 HG21 ILE 30 -4.131 15.268 5.855 240 HG22 ILE 30 HG22 ILE 30 -3.030 15.515 4.500 241 HG23 ILE 30 HG23 ILE 30 -2.664 16.223 6.073 242 HD11 ILE 30 HD11 ILE 30 -1.784 18.541 2.964 243 HD12 ILE 30 HD12 ILE 30 -1.335 17.406 4.237 244 HD13 ILE 30 HD13 ILE 30 -2.523 16.941 3.020 245 H LEU 31 H LEU 31 -4.054 15.496 2.201 246 HA LEU 31 HA LEU 31 -5.046 12.949 3.285 247 HB2 LEU 31 HB2 LEU 31 -4.794 12.433 0.613 248 HB3 LEU 31 HB3 LEU 31 -6.307 12.746 1.461 249 HG LEU 31 HG LEU 31 -4.775 15.037 0.312 250 HD11 LEU 31 HD11 LEU 31 -6.760 13.522 -1.340 251 HD12 LEU 31 HD12 LEU 31 -5.588 14.739 -1.844 252 HD13 LEU 31 HD13 LEU 31 -5.043 13.125 -1.389 253 HD21 LEU 31 HD21 LEU 31 -6.603 16.145 0.903 254 HD22 LEU 31 HD22 LEU 31 -7.610 15.066 -0.062 255 HD23 LEU 31 HD23 LEU 31 -7.243 14.664 1.616 256 H THR 32 H THR 32 -3.735 11.081 2.671 257 HA THR 32 HA THR 32 -0.902 11.816 2.529 258 HB THR 32 HB THR 32 -1.891 9.041 3.110 259 HG1 THR 32 HG1 THR 32 -3.005 10.276 4.599 260 HG21 THR 32 HG21 THR 32 0.181 8.725 4.123 261 HG22 THR 32 HG22 THR 32 0.575 9.751 2.743 262 HG23 THR 32 HG23 THR 32 0.442 10.454 4.355 263 H LEU 33 H LEU 33 -0.024 11.779 0.569 264 HA LEU 33 HA LEU 33 -1.141 10.445 -1.656 265 HB2 LEU 33 HB2 LEU 33 1.367 11.925 -1.089 266 HB3 LEU 33 HB3 LEU 33 1.340 10.883 -2.510 267 HG LEU 33 HG LEU 33 0.816 13.310 -2.916 268 HD11 LEU 33 HD11 LEU 33 -1.608 11.889 -3.771 269 HD12 LEU 33 HD12 LEU 33 -0.378 12.719 -4.724 270 HD13 LEU 33 HD13 LEU 33 -0.089 11.077 -4.149 271 HD21 LEU 33 HD21 LEU 33 -1.688 12.560 -1.413 272 HD22 LEU 33 HD22 LEU 33 -0.511 13.798 -0.974 273 HD23 LEU 33 HD23 LEU 33 -1.514 14.005 -2.410 274 H LEU 34 H LEU 34 -0.558 8.572 -2.710 275 HA LEU 34 HA LEU 34 1.236 6.770 -1.220 276 HB2 LEU 34 HB2 LEU 34 -1.460 6.405 -2.300 277 HB3 LEU 34 HB3 LEU 34 -0.338 5.112 -2.717 278 HG LEU 34 HG LEU 34 -0.286 5.822 0.116 279 HD11 LEU 34 HD11 LEU 34 -2.600 6.254 -0.085 280 HD12 LEU 34 HD12 LEU 34 -2.840 4.877 -1.160 281 HD13 LEU 34 HD13 LEU 34 -2.458 4.612 0.541 282 HD21 LEU 34 HD21 LEU 34 0.835 3.867 -0.683 283 HD22 LEU 34 HD22 LEU 34 -0.537 3.346 0.295 284 HD23 LEU 34 HD23 LEU 34 -0.632 3.280 -1.465 285 H ASN 35 H ASN 35 -0.200 7.089 -4.474 286 HA ASN 35 HA ASN 35 2.187 5.932 -5.655 287 HB2 ASN 35 HB2 ASN 35 0.004 5.235 -6.509 288 HB3 ASN 35 HB3 ASN 35 -0.383 6.902 -6.924 289 HD21 ASN 35 HD21 ASN 35 2.636 5.123 -7.353 290 HD22 ASN 35 HD22 ASN 35 2.679 5.263 -9.075 291 H SER 36 H SER 36 0.252 8.786 -6.559 292 HA SER 36 HA SER 36 0.847 10.889 -7.199 293 HB2 SER 36 HB2 SER 36 2.889 10.121 -5.290 294 HB3 SER 36 HB3 SER 36 3.552 11.183 -6.532 295 HG SER 36 HG SER 36 2.319 12.004 -4.483 296 H THR 37 H THR 37 1.574 8.314 -8.709 297 HA THR 37 HA THR 37 3.670 9.363 -10.468 298 HB THR 37 HB THR 37 2.393 6.621 -10.443 299 HG1 THR 37 HG1 THR 37 4.719 7.694 -9.247 300 HG21 THR 37 HG21 THR 37 3.290 7.301 -12.642 301 HG22 THR 37 HG22 THR 37 4.854 7.611 -11.889 302 HG23 THR 37 HG23 THR 37 4.203 5.972 -11.928 303 H ASN 38 H ASN 38 0.281 8.471 -10.415 304 HA ASN 38 HA ASN 38 0.019 9.075 -13.266 305 HB2 ASN 38 HB2 ASN 38 -1.092 7.053 -12.589 306 HB3 ASN 38 HB3 ASN 38 -1.905 7.881 -11.264 307 HD21 ASN 38 HD21 ASN 38 -1.457 8.752 -14.667 308 HD22 ASN 38 HD22 ASN 38 -3.140 8.896 -15.030 309 H LYS 39 H LYS 39 0.060 11.257 -13.484 310 HA LYS 39 HA LYS 39 -0.852 13.206 -11.789 311 HB2 LYS 39 HB2 LYS 39 0.396 13.809 -13.741 312 HB3 LYS 39 HB3 LYS 39 -0.836 13.145 -14.807 313 HG2 LYS 39 HG2 LYS 39 -2.398 14.888 -14.054 314 HG3 LYS 39 HG3 LYS 39 -1.121 15.571 -13.045 315 HD2 LYS 39 HD2 LYS 39 0.075 15.359 -15.518 316 HD3 LYS 39 HD3 LYS 39 -1.581 15.826 -15.913 317 HE2 LYS 39 HE2 LYS 39 -1.341 17.659 -14.194 318 HE3 LYS 39 HE3 LYS 39 0.376 17.265 -14.132 319 HZ1 LYS 39 HZ1 LYS 39 0.745 18.140 -16.172 320 HZ2 LYS 39 HZ2 LYS 39 -0.789 17.742 -16.765 321 HZ3 LYS 39 HZ3 LYS 39 -0.594 19.088 -15.759 322 H ASP 40 H ASP 40 -2.719 11.628 -14.376 323 HA ASP 40 HA ASP 40 -5.107 12.960 -14.138 324 HB2 ASP 40 HB2 ASP 40 -4.715 11.289 -15.866 325 HB3 ASP 40 HB3 ASP 40 -4.683 10.010 -14.655 326 H TRP 41 H TRP 41 -4.038 10.137 -12.265 327 HA TRP 41 HA TRP 41 -5.900 10.923 -10.146 328 HB2 TRP 41 HB2 TRP 41 -5.775 8.233 -11.492 329 HB3 TRP 41 HB3 TRP 41 -6.362 8.401 -9.839 330 HD1 TRP 41 HD1 TRP 41 -7.350 9.058 -13.447 331 HE1 TRP 41 HE1 TRP 41 -9.824 9.765 -13.524 332 HE3 TRP 41 HE3 TRP 41 -8.190 9.623 -8.435 333 HZ2 TRP 41 HZ2 TRP 41 -11.861 10.471 -11.702 334 HZ3 TRP 41 HZ3 TRP 41 -10.428 10.317 -7.686 335 HH2 TRP 41 HH2 TRP 41 -12.224 10.732 -9.287 336 H TRP 42 H TRP 42 -4.753 11.189 -8.360 337 HA TRP 42 HA TRP 42 -2.242 9.717 -8.035 338 HB2 TRP 42 HB2 TRP 42 -3.355 12.219 -6.791 339 HB3 TRP 42 HB3 TRP 42 -1.992 11.373 -6.065 340 HD1 TRP 42 HD1 TRP 42 -0.770 10.632 -9.089 341 HE1 TRP 42 HE1 TRP 42 0.549 12.498 -10.275 342 HE3 TRP 42 HE3 TRP 42 -2.541 14.660 -6.485 343 HZ2 TRP 42 HZ2 TRP 42 0.805 15.305 -10.126 344 HZ3 TRP 42 HZ3 TRP 42 -1.708 16.900 -7.069 345 HH2 TRP 42 HH2 TRP 42 -0.070 17.214 -8.851 346 H LYS 43 H LYS 43 -2.488 7.814 -7.053 347 HA LYS 43 HA LYS 43 -4.606 7.086 -5.374 348 HB2 LYS 43 HB2 LYS 43 -3.242 5.424 -6.505 349 HB3 LYS 43 HB3 LYS 43 -1.823 5.926 -5.595 350 HG2 LYS 43 HG2 LYS 43 -3.489 5.318 -3.570 351 HG3 LYS 43 HG3 LYS 43 -4.068 4.197 -4.805 352 HD2 LYS 43 HD2 LYS 43 -1.157 4.311 -4.619 353 HD3 LYS 43 HD3 LYS 43 -1.931 3.778 -3.125 354 HE2 LYS 43 HE2 LYS 43 -1.889 1.755 -4.108 355 HE3 LYS 43 HE3 LYS 43 -3.318 2.345 -4.956 356 HZ1 LYS 43 HZ1 LYS 43 -2.217 2.035 -6.836 357 HZ2 LYS 43 HZ2 LYS 43 -1.134 3.255 -6.386 358 HZ3 LYS 43 HZ3 LYS 43 -0.792 1.641 -6.013 359 H VAL 44 H VAL 44 -5.022 7.436 -3.290 360 HA VAL 44 HA VAL 44 -2.840 8.082 -1.456 361 HB VAL 44 HB VAL 44 -3.893 10.042 -0.569 362 HG11 VAL 44 HG11 VAL 44 -2.613 10.020 -2.893 363 HG12 VAL 44 HG12 VAL 44 -4.168 10.623 -3.466 364 HG13 VAL 44 HG13 VAL 44 -3.290 11.499 -2.212 365 HG21 VAL 44 HG21 VAL 44 -5.964 10.964 -1.525 366 HG22 VAL 44 HG22 VAL 44 -6.111 9.538 -2.552 367 HG23 VAL 44 HG23 VAL 44 -6.217 9.377 -0.799 368 H GLU 45 H GLU 45 -3.659 8.192 0.845 369 HA GLU 45 HA GLU 45 -5.859 6.265 1.216 370 HB2 GLU 45 HB2 GLU 45 -3.873 5.124 1.817 371 HB3 GLU 45 HB3 GLU 45 -3.232 6.524 2.665 372 HG2 GLU 45 HG2 GLU 45 -4.669 6.227 4.484 373 HG3 GLU 45 HG3 GLU 45 -5.726 5.142 3.582 374 H VAL 46 H VAL 46 -7.488 6.867 2.498 375 HA VAL 46 HA VAL 46 -7.084 8.974 4.481 376 HB VAL 46 HB VAL 46 -9.262 10.048 3.704 377 HG11 VAL 46 HG11 VAL 46 -8.105 11.621 2.491 378 HG12 VAL 46 HG12 VAL 46 -6.782 10.791 3.310 379 HG13 VAL 46 HG13 VAL 46 -7.153 10.413 1.627 380 HG21 VAL 46 HG21 VAL 46 -9.795 8.106 2.165 381 HG22 VAL 46 HG22 VAL 46 -10.002 9.720 1.485 382 HG23 VAL 46 HG23 VAL 46 -8.579 8.764 1.071 383 H ASN 47 H ASN 47 -8.108 8.527 6.324 384 HA ASN 47 HA ASN 47 -9.224 7.200 7.837 385 HB2 ASN 47 HB2 ASN 47 -11.771 7.196 7.228 386 HB3 ASN 47 HB3 ASN 47 -10.964 8.715 7.604 387 HD21 ASN 47 HD21 ASN 47 -12.202 6.689 5.039 388 HD22 ASN 47 HD22 ASN 47 -12.328 7.937 3.852 389 H ASP 48 H ASP 48 -7.986 5.297 6.983 390 HA ASP 48 HA ASP 48 -7.840 3.179 6.099 391 HB2 ASP 48 HB2 ASP 48 -9.555 3.280 8.220 392 HB3 ASP 48 HB3 ASP 48 -10.561 2.502 7.002 393 H ARG 49 H ARG 49 -8.794 5.041 4.180 394 HA ARG 49 HA ARG 49 -10.198 3.196 2.420 395 HB2 ARG 49 HB2 ARG 49 -11.438 5.525 3.618 396 HB3 ARG 49 HB3 ARG 49 -11.416 5.650 1.864 397 HG2 ARG 49 HG2 ARG 49 -12.437 3.227 3.319 398 HG3 ARG 49 HG3 ARG 49 -13.462 4.592 2.870 399 HD2 ARG 49 HD2 ARG 49 -12.004 3.911 0.569 400 HD3 ARG 49 HD3 ARG 49 -12.555 2.389 1.268 401 HE ARG 49 HE ARG 49 -14.719 2.960 0.745 402 HH11 ARG 49 HH11 ARG 49 -12.650 5.734 0.362 403 HH12 ARG 49 HH12 ARG 49 -13.862 6.694 -0.419 404 HH21 ARG 49 HH21 ARG 49 -16.324 4.214 -0.283 405 HH22 ARG 49 HH22 ARG 49 -15.952 5.829 -0.784 406 H GLN 50 H GLN 50 -8.220 3.091 1.303 407 HA GLN 50 HA GLN 50 -7.263 5.565 0.064 408 HB2 GLN 50 HB2 GLN 50 -5.242 4.409 -0.431 409 HB3 GLN 50 HB3 GLN 50 -5.669 3.994 1.224 410 HG2 GLN 50 HG2 GLN 50 -5.746 1.835 0.745 411 HG3 GLN 50 HG3 GLN 50 -6.809 2.112 -0.633 412 HE21 GLN 50 HE21 GLN 50 -3.460 3.045 0.071 413 HE22 GLN 50 HE22 GLN 50 -2.783 2.341 -1.354 414 H GLY 51 H GLY 51 -6.821 5.642 -2.218 415 HA2 GLY 51 HA2 GLY 51 -7.674 3.625 -4.016 416 HA3 GLY 51 HA3 GLY 51 -8.941 4.828 -3.826 417 H PHE 52 H PHE 52 -8.868 6.574 -5.086 418 HA PHE 52 HA PHE 52 -6.303 7.464 -6.168 419 HB2 PHE 52 HB2 PHE 52 -8.633 6.470 -7.768 420 HB3 PHE 52 HB3 PHE 52 -7.610 7.743 -8.424 421 HD1 PHE 52 HD1 PHE 52 -5.027 7.242 -8.315 422 HD2 PHE 52 HD2 PHE 52 -8.086 4.284 -8.208 423 HE1 PHE 52 HE1 PHE 52 -3.415 5.551 -9.087 424 HE2 PHE 52 HE2 PHE 52 -6.479 2.589 -8.978 425 HZ PHE 52 HZ PHE 52 -4.139 3.221 -9.419 426 H VAL 53 H VAL 53 -6.118 9.593 -5.983 427 HA VAL 53 HA VAL 53 -8.572 11.185 -5.646 428 HB VAL 53 HB VAL 53 -6.375 11.040 -3.990 429 HG11 VAL 53 HG11 VAL 53 -5.192 13.128 -4.140 430 HG12 VAL 53 HG12 VAL 53 -5.065 12.293 -5.688 431 HG13 VAL 53 HG13 VAL 53 -6.186 13.641 -5.503 432 HG21 VAL 53 HG21 VAL 53 -7.751 13.597 -3.809 433 HG22 VAL 53 HG22 VAL 53 -8.856 12.240 -4.027 434 HG23 VAL 53 HG23 VAL 53 -7.722 12.245 -2.677 435 HA PRO 54 HA PRO 54 -7.717 13.196 -9.480 436 HB2 PRO 54 HB2 PRO 54 -9.278 15.387 -9.120 437 HB3 PRO 54 HB3 PRO 54 -9.937 13.787 -9.481 438 HG2 PRO 54 HG2 PRO 54 -9.700 15.188 -6.846 439 HG3 PRO 54 HG3 PRO 54 -11.056 14.248 -7.495 440 HD2 PRO 54 HD2 PRO 54 -9.303 13.228 -5.701 441 HD3 PRO 54 HD3 PRO 54 -10.086 12.231 -6.945 442 H ALA 55 H ALA 55 -5.811 14.136 -9.851 443 HA ALA 55 HA ALA 55 -4.421 15.773 -8.046 444 HB1 ALA 55 HB1 ALA 55 -4.037 15.653 -11.034 445 HB2 ALA 55 HB2 ALA 55 -2.855 16.162 -9.828 446 HB3 ALA 55 HB3 ALA 55 -3.383 14.480 -9.890 447 H ALA 56 H ALA 56 -6.054 16.683 -11.088 448 HA ALA 56 HA ALA 56 -5.703 19.399 -11.020 449 HB1 ALA 56 HB1 ALA 56 -7.740 19.588 -12.353 450 HB2 ALA 56 HB2 ALA 56 -6.758 18.222 -12.882 451 HB3 ALA 56 HB3 ALA 56 -8.197 17.946 -11.899 452 H TYR 57 H TYR 57 -7.961 17.469 -9.152 453 HA TYR 57 HA TYR 57 -9.154 19.869 -7.988 454 HB2 TYR 57 HB2 TYR 57 -9.842 16.938 -7.781 455 HB3 TYR 57 HB3 TYR 57 -10.633 18.176 -6.812 456 HD1 TYR 57 HD1 TYR 57 -11.032 16.234 -9.615 457 HD2 TYR 57 HD2 TYR 57 -11.393 20.291 -8.385 458 HE1 TYR 57 HE1 TYR 57 -12.620 16.642 -11.449 459 HE2 TYR 57 HE2 TYR 57 -12.983 20.710 -10.214 460 HH TYR 57 HH TYR 57 -13.864 19.879 -12.114 461 H VAL 58 H VAL 58 -6.457 19.491 -7.381 462 HA VAL 58 HA VAL 58 -6.628 19.225 -4.482 463 HB VAL 58 HB VAL 58 -5.722 17.068 -5.839 464 HG11 VAL 58 HG11 VAL 58 -3.187 18.470 -5.051 465 HG12 VAL 58 HG12 VAL 58 -3.385 16.998 -6.002 466 HG13 VAL 58 HG13 VAL 58 -3.830 18.559 -6.691 467 HG21 VAL 58 HG21 VAL 58 -4.541 17.967 -3.216 468 HG22 VAL 58 HG22 VAL 58 -6.184 17.348 -3.392 469 HG23 VAL 58 HG23 VAL 58 -4.806 16.313 -3.768 470 H LYS 59 H LYS 59 -4.469 19.883 -3.466 471 HA LYS 59 HA LYS 59 -2.833 21.662 -5.050 472 HB2 LYS 59 HB2 LYS 59 -5.014 22.650 -3.370 473 HB3 LYS 59 HB3 LYS 59 -3.458 23.362 -2.968 474 HG2 LYS 59 HG2 LYS 59 -4.443 23.261 -5.795 475 HG3 LYS 59 HG3 LYS 59 -4.921 24.553 -4.692 476 HD2 LYS 59 HD2 LYS 59 -2.541 25.071 -4.311 477 HD3 LYS 59 HD3 LYS 59 -2.098 23.816 -5.470 478 HE2 LYS 59 HE2 LYS 59 -2.082 26.100 -6.433 479 HE3 LYS 59 HE3 LYS 59 -3.191 25.003 -7.252 480 HZ1 LYS 59 HZ1 LYS 59 -4.072 26.864 -5.123 481 HZ2 LYS 59 HZ2 LYS 59 -4.063 27.292 -6.760 482 HZ3 LYS 59 HZ3 LYS 59 -5.033 26.014 -6.225 483 H LYS 60 H LYS 60 -0.855 21.122 -4.427 484 HA LYS 60 HA LYS 60 -0.243 19.825 -2.000 485 HB2 LYS 60 HB2 LYS 60 1.051 19.987 -4.301 486 HB3 LYS 60 HB3 LYS 60 1.860 21.327 -3.498 487 HG2 LYS 60 HG2 LYS 60 1.658 18.633 -2.205 488 HG3 LYS 60 HG3 LYS 60 2.932 19.008 -3.368 489 HD2 LYS 60 HD2 LYS 60 2.667 21.102 -1.395 490 HD3 LYS 60 HD3 LYS 60 2.944 19.536 -0.630 491 HE2 LYS 60 HE2 LYS 60 5.109 20.072 -1.004 492 HE3 LYS 60 HE3 LYS 60 4.762 19.395 -2.594 493 HZ1 LYS 60 HZ1 LYS 60 4.014 21.926 -2.948 494 HZ2 LYS 60 HZ2 LYS 60 5.257 22.146 -1.820 495 HZ3 LYS 60 HZ3 LYS 60 5.572 21.358 -3.284 496 H LEU 61 H LEU 61 -0.988 21.047 -0.267 497 HA LEU 61 HA LEU 61 0.532 23.517 0.255 498 HB2 LEU 61 HB2 LEU 61 -2.219 22.936 1.319 499 HB3 LEU 61 HB3 LEU 61 -1.336 24.460 1.373 500 HG LEU 61 HG LEU 61 -2.124 23.271 -1.259 501 HD11 LEU 61 HD11 LEU 61 -4.039 25.196 -0.581 502 HD12 LEU 61 HD12 LEU 61 -4.286 23.465 -0.809 503 HD13 LEU 61 HD13 LEU 61 -3.944 24.103 0.799 504 HD21 LEU 61 HD21 LEU 61 -2.293 25.770 -1.747 505 HD22 LEU 61 HD22 LEU 61 -1.480 26.007 -0.200 506 HD23 LEU 61 HD23 LEU 61 -0.681 25.104 -1.488 507 H ASP 62 H ASP 62 1.839 21.433 1.048 508 HA ASP 62 HA ASP 62 2.716 20.267 2.799 509 HB2 ASP 62 HB2 ASP 62 1.911 22.896 3.848 510 HB3 ASP 62 HB3 ASP 62 2.135 21.656 5.079 Start of MODEL 9 1 H1 MET 1 H MET 1 1.041 0.962 0.579 2 HA MET 1 HA MET 1 2.783 -0.346 -0.961 3 HB2 MET 1 HB2 MET 1 0.811 1.064 -2.700 4 HB3 MET 1 HB3 MET 1 2.495 1.034 -3.205 5 HG2 MET 1 HG2 MET 1 2.367 -1.085 -3.858 6 HG3 MET 1 HG3 MET 1 1.553 -1.577 -2.375 7 HE1 MET 1 HE1 MET 1 -2.182 -0.718 -3.200 8 HE2 MET 1 HE2 MET 1 -1.155 -1.646 -2.107 9 HE3 MET 1 HE3 MET 1 -0.955 0.101 -2.234 10 H ASP 2 H ASP 2 1.732 2.919 -1.867 11 HA ASP 2 HA ASP 2 2.602 4.981 -1.395 12 HB2 ASP 2 HB2 ASP 2 3.333 5.252 0.703 13 HB3 ASP 2 HB3 ASP 2 3.273 3.501 0.885 14 H GLU 3 H GLU 3 4.986 2.370 -1.636 15 HA GLU 3 HA GLU 3 6.970 2.208 -2.750 16 HB2 GLU 3 HB2 GLU 3 5.111 2.623 -4.572 17 HB3 GLU 3 HB3 GLU 3 5.960 4.147 -4.788 18 HG2 GLU 3 HG2 GLU 3 7.686 1.780 -4.740 19 HG3 GLU 3 HG3 GLU 3 6.552 1.847 -6.087 20 H THR 4 H THR 4 7.626 3.657 -0.801 21 HA THR 4 HA THR 4 8.703 5.509 0.051 22 HB THR 4 HB THR 4 10.515 4.223 -0.978 23 HG1 THR 4 HG1 THR 4 11.880 5.832 -0.640 24 HG21 THR 4 HG21 THR 4 11.374 5.072 -3.222 25 HG22 THR 4 HG22 THR 4 9.918 4.078 -3.258 26 HG23 THR 4 HG23 THR 4 9.794 5.830 -3.419 27 H GLY 5 H GLY 5 6.394 6.359 -1.242 28 HA2 GLY 5 HA2 GLY 5 7.283 8.991 -2.195 29 HA3 GLY 5 HA3 GLY 5 6.148 8.079 -3.179 30 H LYS 6 H LYS 6 6.572 9.283 0.142 31 HA LYS 6 HA LYS 6 3.658 9.506 0.383 32 HB2 LYS 6 HB2 LYS 6 5.726 8.771 2.189 33 HB3 LYS 6 HB3 LYS 6 5.013 10.266 2.783 34 HG2 LYS 6 HG2 LYS 6 3.482 8.967 3.739 35 HG3 LYS 6 HG3 LYS 6 2.810 8.773 2.118 36 HD2 LYS 6 HD2 LYS 6 3.188 6.587 2.299 37 HD3 LYS 6 HD3 LYS 6 4.918 6.938 2.283 38 HE2 LYS 6 HE2 LYS 6 4.510 5.636 4.220 39 HE3 LYS 6 HE3 LYS 6 4.751 7.293 4.771 40 HZ1 LYS 6 HZ1 LYS 6 2.636 7.461 5.472 41 HZ2 LYS 6 HZ2 LYS 6 2.007 6.539 4.200 42 HZ3 LYS 6 HZ3 LYS 6 2.710 5.772 5.534 43 H GLU 7 H GLU 7 2.774 11.398 -0.092 44 HA GLU 7 HA GLU 7 4.232 13.852 0.618 45 HB2 GLU 7 HB2 GLU 7 2.516 14.219 -1.688 46 HB3 GLU 7 HB3 GLU 7 4.211 14.634 -1.478 47 HG2 GLU 7 HG2 GLU 7 3.215 11.882 -2.169 48 HG3 GLU 7 HG3 GLU 7 3.769 13.069 -3.348 49 H LEU 8 H LEU 8 2.521 15.781 0.178 50 HA LEU 8 HA LEU 8 -0.056 15.001 1.349 51 HB2 LEU 8 HB2 LEU 8 2.031 16.498 2.627 52 HB3 LEU 8 HB3 LEU 8 0.606 17.514 2.422 53 HG LEU 8 HG LEU 8 -0.728 16.055 3.738 54 HD11 LEU 8 HD11 LEU 8 0.304 13.972 4.727 55 HD12 LEU 8 HD12 LEU 8 -0.081 13.908 3.007 56 HD13 LEU 8 HD13 LEU 8 1.586 14.148 3.529 57 HD21 LEU 8 HD21 LEU 8 0.741 15.850 5.846 58 HD22 LEU 8 HD22 LEU 8 1.980 16.645 4.875 59 HD23 LEU 8 HD23 LEU 8 0.443 17.455 5.179 60 H VAL 9 H VAL 9 -1.801 16.330 0.829 61 HA VAL 9 HA VAL 9 -1.352 18.645 -0.878 62 HB VAL 9 HB VAL 9 -2.826 17.861 -2.654 63 HG11 VAL 9 HG11 VAL 9 -0.452 17.507 -2.946 64 HG12 VAL 9 HG12 VAL 9 -0.544 15.975 -2.077 65 HG13 VAL 9 HG13 VAL 9 -1.343 16.152 -3.640 66 HG21 VAL 9 HG21 VAL 9 -2.961 15.364 -0.985 67 HG22 VAL 9 HG22 VAL 9 -4.289 16.362 -1.577 68 HG23 VAL 9 HG23 VAL 9 -3.358 15.375 -2.704 69 H LEU 10 H LEU 10 -3.475 19.715 -1.437 70 HA LEU 10 HA LEU 10 -5.348 19.411 0.816 71 HB2 LEU 10 HB2 LEU 10 -4.244 21.794 -0.579 72 HB3 LEU 10 HB3 LEU 10 -5.888 21.884 0.049 73 HG LEU 10 HG LEU 10 -4.018 22.792 1.519 74 HD11 LEU 10 HD11 LEU 10 -5.226 20.913 3.306 75 HD12 LEU 10 HD12 LEU 10 -5.560 22.632 3.102 76 HD13 LEU 10 HD13 LEU 10 -6.412 21.446 2.114 77 HD21 LEU 10 HD21 LEU 10 -2.438 20.954 1.158 78 HD22 LEU 10 HD22 LEU 10 -2.812 21.166 2.868 79 HD23 LEU 10 HD23 LEU 10 -3.549 19.845 1.961 80 H ALA 11 H ALA 11 -7.523 19.348 0.422 81 HA ALA 11 HA ALA 11 -8.367 18.483 -2.149 82 HB1 ALA 11 HB1 ALA 11 -10.667 18.611 -1.112 83 HB2 ALA 11 HB2 ALA 11 -9.502 17.579 -0.282 84 HB3 ALA 11 HB3 ALA 11 -9.876 19.179 0.358 85 H LEU 12 H LEU 12 -8.427 19.858 -3.814 86 HA LEU 12 HA LEU 12 -9.020 22.650 -3.484 87 HB2 LEU 12 HB2 LEU 12 -7.438 21.625 -5.184 88 HB3 LEU 12 HB3 LEU 12 -8.876 21.133 -6.077 89 HG LEU 12 HG LEU 12 -8.455 24.011 -5.370 90 HD11 LEU 12 HD11 LEU 12 -6.432 22.849 -6.570 91 HD12 LEU 12 HD12 LEU 12 -7.485 22.959 -7.980 92 HD13 LEU 12 HD13 LEU 12 -7.023 24.421 -7.109 93 HD21 LEU 12 HD21 LEU 12 -10.321 22.457 -6.901 94 HD22 LEU 12 HD22 LEU 12 -10.370 24.169 -6.482 95 HD23 LEU 12 HD23 LEU 12 -9.522 23.641 -7.935 96 H TYR 13 H TYR 13 -10.778 19.781 -4.351 97 HA TYR 13 HA TYR 13 -13.231 21.377 -4.499 98 HB2 TYR 13 HB2 TYR 13 -12.747 21.025 -6.806 99 HB3 TYR 13 HB3 TYR 13 -12.321 19.339 -6.531 100 HD1 TYR 13 HD1 TYR 13 -15.288 21.409 -5.579 101 HD2 TYR 13 HD2 TYR 13 -13.828 17.961 -7.600 102 HE1 TYR 13 HE1 TYR 13 -17.598 20.746 -6.104 103 HE2 TYR 13 HE2 TYR 13 -16.134 17.289 -8.132 104 HH TYR 13 HH TYR 13 -18.283 17.813 -7.989 105 H ASP 14 H ASP 14 -14.903 20.512 -3.419 106 HA ASP 14 HA ASP 14 -14.512 18.340 -1.676 107 HB2 ASP 14 HB2 ASP 14 -16.316 20.365 -1.814 108 HB3 ASP 14 HB3 ASP 14 -17.306 19.014 -2.359 109 H TYR 15 H TYR 15 -13.943 16.470 -2.727 110 HA TYR 15 HA TYR 15 -15.753 15.411 -4.766 111 HB2 TYR 15 HB2 TYR 15 -13.006 15.393 -4.576 112 HB3 TYR 15 HB3 TYR 15 -13.435 13.770 -4.047 113 HD1 TYR 15 HD1 TYR 15 -13.187 16.035 -6.859 114 HD2 TYR 15 HD2 TYR 15 -14.720 12.278 -5.577 115 HE1 TYR 15 HE1 TYR 15 -13.455 15.350 -9.206 116 HE2 TYR 15 HE2 TYR 15 -14.991 11.582 -7.920 117 HH TYR 15 HH TYR 15 -14.445 12.081 -10.064 118 H GLN 16 H GLN 16 -17.139 13.800 -4.386 119 HA GLN 16 HA GLN 16 -17.155 12.610 -1.710 120 HB2 GLN 16 HB2 GLN 16 -19.180 13.674 -3.274 121 HB3 GLN 16 HB3 GLN 16 -19.403 11.937 -3.439 122 HG2 GLN 16 HG2 GLN 16 -20.210 11.742 -1.379 123 HG3 GLN 16 HG3 GLN 16 -18.924 12.732 -0.692 124 HE21 GLN 16 HE21 GLN 16 -19.410 14.707 -0.009 125 HE22 GLN 16 HE22 GLN 16 -20.897 15.534 -0.308 126 H GLU 17 H GLU 17 -16.511 11.860 -4.992 127 HA GLU 17 HA GLU 17 -15.814 9.961 -6.034 128 HB2 GLU 17 HB2 GLU 17 -15.620 8.742 -3.278 129 HB3 GLU 17 HB3 GLU 17 -14.778 8.225 -4.732 130 HG2 GLU 17 HG2 GLU 17 -14.372 10.856 -3.329 131 HG3 GLU 17 HG3 GLU 17 -13.323 9.446 -3.187 132 H LYS 18 H LYS 18 -16.352 7.548 -6.276 133 HA LYS 18 HA LYS 18 -18.925 6.742 -5.234 134 HB2 LYS 18 HB2 LYS 18 -18.790 8.127 -7.705 135 HB3 LYS 18 HB3 LYS 18 -19.127 6.441 -8.076 136 HG2 LYS 18 HG2 LYS 18 -21.259 6.970 -7.716 137 HG3 LYS 18 HG3 LYS 18 -20.842 6.937 -6.001 138 HD2 LYS 18 HD2 LYS 18 -21.927 8.999 -6.336 139 HD3 LYS 18 HD3 LYS 18 -20.206 9.387 -6.269 140 HE2 LYS 18 HE2 LYS 18 -20.079 9.769 -8.559 141 HE3 LYS 18 HE3 LYS 18 -21.546 8.851 -8.893 142 HZ1 LYS 18 HZ1 LYS 18 -21.679 11.373 -9.020 143 HZ2 LYS 18 HZ2 LYS 18 -22.887 10.582 -8.138 144 HZ3 LYS 18 HZ3 LYS 18 -21.619 11.358 -7.329 145 H SER 19 H SER 19 -16.070 5.842 -5.401 146 HA SER 19 HA SER 19 -16.655 3.080 -6.072 147 HB2 SER 19 HB2 SER 19 -15.163 4.777 -7.850 148 HB3 SER 19 HB3 SER 19 -14.104 3.520 -7.212 149 HG SER 19 HG SER 19 -16.422 3.281 -8.772 150 HA PRO 20 HA PRO 20 -14.022 2.219 -2.670 151 HB2 PRO 20 HB2 PRO 20 -12.918 -0.151 -3.402 152 HB3 PRO 20 HB3 PRO 20 -14.609 0.010 -2.912 153 HG2 PRO 20 HG2 PRO 20 -13.440 -0.135 -5.664 154 HG3 PRO 20 HG3 PRO 20 -14.886 -0.933 -5.019 155 HD2 PRO 20 HD2 PRO 20 -15.013 1.303 -6.541 156 HD3 PRO 20 HD3 PRO 20 -16.187 0.954 -5.256 157 H ARG 21 H ARG 21 -12.625 2.281 -5.872 158 HA ARG 21 HA ARG 21 -9.907 2.384 -4.840 159 HB2 ARG 21 HB2 ARG 21 -9.187 2.022 -6.995 160 HB3 ARG 21 HB3 ARG 21 -10.767 1.252 -7.054 161 HG2 ARG 21 HG2 ARG 21 -11.586 3.569 -7.879 162 HG3 ARG 21 HG3 ARG 21 -9.881 3.842 -8.244 163 HD2 ARG 21 HD2 ARG 21 -9.916 2.451 -10.002 164 HD3 ARG 21 HD3 ARG 21 -10.884 1.250 -9.149 165 HE ARG 21 HE ARG 21 -11.841 3.341 -10.890 166 HH11 ARG 21 HH11 ARG 21 -12.643 1.091 -8.358 167 HH12 ARG 21 HH12 ARG 21 -14.336 1.079 -8.726 168 HH21 ARG 21 HH21 ARG 21 -14.068 3.334 -11.385 169 HH22 ARG 21 HH22 ARG 21 -15.145 2.355 -10.448 170 H GLU 22 H GLU 22 -12.133 4.526 -4.569 171 HA GLU 22 HA GLU 22 -10.541 6.790 -5.578 172 HB2 GLU 22 HB2 GLU 22 -13.497 6.448 -5.163 173 HB3 GLU 22 HB3 GLU 22 -12.775 8.050 -5.204 174 HG2 GLU 22 HG2 GLU 22 -11.912 7.618 -7.439 175 HG3 GLU 22 HG3 GLU 22 -12.606 5.998 -7.400 176 H VAL 23 H VAL 23 -10.637 8.769 -4.229 177 HA VAL 23 HA VAL 23 -10.808 8.115 -1.359 178 HB VAL 23 HB VAL 23 -8.702 9.683 -2.826 179 HG11 VAL 23 HG11 VAL 23 -9.755 10.126 -0.128 180 HG12 VAL 23 HG12 VAL 23 -8.005 9.922 -0.204 181 HG13 VAL 23 HG13 VAL 23 -8.788 11.182 -1.158 182 HG21 VAL 23 HG21 VAL 23 -8.825 7.076 -1.890 183 HG22 VAL 23 HG22 VAL 23 -7.372 7.955 -2.365 184 HG23 VAL 23 HG23 VAL 23 -7.873 7.929 -0.674 185 H THR 24 H THR 24 -12.472 9.180 -0.522 186 HA THR 24 HA THR 24 -13.569 11.539 -1.697 187 HB THR 24 HB THR 24 -14.140 10.261 0.984 188 HG1 THR 24 HG1 THR 24 -15.270 8.917 -0.181 189 HG21 THR 24 HG21 THR 24 -16.318 11.773 -0.100 190 HG22 THR 24 HG22 THR 24 -15.494 11.968 1.447 191 HG23 THR 24 HG23 THR 24 -14.890 12.802 0.016 192 H MET 25 H MET 25 -13.033 13.593 -1.357 193 HA MET 25 HA MET 25 -11.597 14.290 1.114 194 HB2 MET 25 HB2 MET 25 -10.057 15.673 -0.068 195 HB3 MET 25 HB3 MET 25 -10.060 14.109 -0.872 196 HG2 MET 25 HG2 MET 25 -12.003 15.929 -2.014 197 HG3 MET 25 HG3 MET 25 -10.365 16.578 -2.063 198 HE1 MET 25 HE1 MET 25 -9.880 16.313 -4.941 199 HE2 MET 25 HE2 MET 25 -8.805 16.204 -3.548 200 HE3 MET 25 HE3 MET 25 -8.709 14.999 -4.832 201 H LYS 26 H LYS 26 -11.888 16.436 1.856 202 HA LYS 26 HA LYS 26 -14.289 17.741 0.756 203 HB2 LYS 26 HB2 LYS 26 -13.617 16.941 3.413 204 HB3 LYS 26 HB3 LYS 26 -13.714 18.697 3.374 205 HG2 LYS 26 HG2 LYS 26 -15.918 17.466 1.958 206 HG3 LYS 26 HG3 LYS 26 -15.821 16.928 3.636 207 HD2 LYS 26 HD2 LYS 26 -15.411 19.801 3.310 208 HD3 LYS 26 HD3 LYS 26 -16.997 19.252 2.763 209 HE2 LYS 26 HE2 LYS 26 -16.854 17.918 5.077 210 HE3 LYS 26 HE3 LYS 26 -15.823 19.289 5.483 211 HZ1 LYS 26 HZ1 LYS 26 -18.585 19.210 5.499 212 HZ2 LYS 26 HZ2 LYS 26 -17.599 20.567 5.721 213 HZ3 LYS 26 HZ3 LYS 26 -18.170 20.179 4.176 214 H LYS 27 H LYS 27 -14.064 19.700 -0.095 215 HA LYS 27 HA LYS 27 -11.763 20.982 -0.684 216 HB2 LYS 27 HB2 LYS 27 -14.106 21.607 -1.410 217 HB3 LYS 27 HB3 LYS 27 -14.256 22.492 0.103 218 HG2 LYS 27 HG2 LYS 27 -12.330 23.881 -0.546 219 HG3 LYS 27 HG3 LYS 27 -12.257 23.022 -2.086 220 HD2 LYS 27 HD2 LYS 27 -14.790 24.353 -1.198 221 HD3 LYS 27 HD3 LYS 27 -13.505 25.288 -1.965 222 HE2 LYS 27 HE2 LYS 27 -13.570 23.694 -3.872 223 HE3 LYS 27 HE3 LYS 27 -14.955 22.907 -3.117 224 HZ1 LYS 27 HZ1 LYS 27 -16.070 25.131 -3.192 225 HZ2 LYS 27 HZ2 LYS 27 -14.798 25.675 -4.166 226 HZ3 LYS 27 HZ3 LYS 27 -15.797 24.419 -4.702 227 H GLY 28 H GLY 28 -10.119 21.361 0.672 228 HA2 GLY 28 HA2 GLY 28 -9.140 22.960 2.180 229 HA3 GLY 28 HA3 GLY 28 -10.677 23.036 3.029 230 H ASP 29 H ASP 29 -9.424 19.957 2.058 231 HA ASP 29 HA ASP 29 -8.772 19.383 4.874 232 HB2 ASP 29 HB2 ASP 29 -9.880 17.565 2.728 233 HB3 ASP 29 HB3 ASP 29 -9.326 17.003 4.302 234 H ILE 30 H ILE 30 -7.383 17.183 4.860 235 HA ILE 30 HA ILE 30 -5.200 17.522 2.916 236 HB ILE 30 HB ILE 30 -5.073 17.929 5.770 237 HG12 ILE 30 HG12 ILE 30 -4.081 19.256 3.800 238 HG13 ILE 30 HG13 ILE 30 -3.084 19.064 5.237 239 HG21 ILE 30 HG21 ILE 30 -4.466 15.607 5.938 240 HG22 ILE 30 HG22 ILE 30 -3.288 15.781 4.636 241 HG23 ILE 30 HG23 ILE 30 -3.025 16.594 6.179 242 HD11 ILE 30 HD11 ILE 30 -2.756 17.006 3.161 243 HD12 ILE 30 HD12 ILE 30 -2.209 18.630 2.745 244 HD13 ILE 30 HD13 ILE 30 -1.554 17.815 4.166 245 H LEU 31 H LEU 31 -4.273 15.673 2.169 246 HA LEU 31 HA LEU 31 -5.136 13.130 3.368 247 HB2 LEU 31 HB2 LEU 31 -4.858 12.545 0.699 248 HB3 LEU 31 HB3 LEU 31 -6.380 12.765 1.562 249 HG LEU 31 HG LEU 31 -5.028 15.128 0.327 250 HD11 LEU 31 HD11 LEU 31 -5.318 13.059 -1.272 251 HD12 LEU 31 HD12 LEU 31 -7.003 13.579 -1.270 252 HD13 LEU 31 HD13 LEU 31 -5.739 14.688 -1.800 253 HD21 LEU 31 HD21 LEU 31 -6.991 16.154 0.684 254 HD22 LEU 31 HD22 LEU 31 -7.932 14.749 0.183 255 HD23 LEU 31 HD23 LEU 31 -7.283 14.837 1.821 256 H THR 32 H THR 32 -3.748 11.297 2.810 257 HA THR 32 HA THR 32 -0.951 12.150 2.633 258 HB THR 32 HB THR 32 -1.825 9.356 3.309 259 HG1 THR 32 HG1 THR 32 -1.805 11.642 5.002 260 HG21 THR 32 HG21 THR 32 0.497 10.975 4.345 261 HG22 THR 32 HG22 THR 32 0.256 9.231 4.452 262 HG23 THR 32 HG23 THR 32 0.590 9.981 2.891 263 H LEU 33 H LEU 33 -0.131 12.130 0.643 264 HA LEU 33 HA LEU 33 -1.173 10.690 -1.531 265 HB2 LEU 33 HB2 LEU 33 1.277 12.261 -0.991 266 HB3 LEU 33 HB3 LEU 33 1.324 11.157 -2.364 267 HG LEU 33 HG LEU 33 0.714 13.558 -2.867 268 HD11 LEU 33 HD11 LEU 33 -1.523 11.781 -3.709 269 HD12 LEU 33 HD12 LEU 33 -0.568 12.922 -4.656 270 HD13 LEU 33 HD13 LEU 33 0.125 11.371 -4.183 271 HD21 LEU 33 HD21 LEU 33 -0.726 14.016 -0.991 272 HD22 LEU 33 HD22 LEU 33 -1.657 14.155 -2.482 273 HD23 LEU 33 HD23 LEU 33 -1.824 12.721 -1.469 274 H LEU 34 H LEU 34 -0.518 8.816 -2.559 275 HA LEU 34 HA LEU 34 1.310 7.091 -1.021 276 HB2 LEU 34 HB2 LEU 34 -1.373 6.612 -2.131 277 HB3 LEU 34 HB3 LEU 34 -0.202 5.322 -2.403 278 HG LEU 34 HG LEU 34 -0.629 6.407 0.354 279 HD11 LEU 34 HD11 LEU 34 -2.792 5.838 0.204 280 HD12 LEU 34 HD12 LEU 34 -2.547 4.887 -1.261 281 HD13 LEU 34 HD13 LEU 34 -2.186 4.186 0.316 282 HD21 LEU 34 HD21 LEU 34 -0.114 3.958 0.839 283 HD22 LEU 34 HD22 LEU 34 0.357 3.842 -0.857 284 HD23 LEU 34 HD23 LEU 34 1.206 4.951 0.219 285 H ASN 35 H ASN 35 -0.160 7.289 -4.269 286 HA ASN 35 HA ASN 35 2.240 6.151 -5.441 287 HB2 ASN 35 HB2 ASN 35 0.063 5.388 -6.254 288 HB3 ASN 35 HB3 ASN 35 -0.359 7.035 -6.714 289 HD21 ASN 35 HD21 ASN 35 2.690 5.301 -7.116 290 HD22 ASN 35 HD22 ASN 35 2.717 5.391 -8.841 291 H SER 36 H SER 36 0.238 8.933 -6.417 292 HA SER 36 HA SER 36 0.783 11.030 -7.118 293 HB2 SER 36 HB2 SER 36 2.856 10.361 -5.203 294 HB3 SER 36 HB3 SER 36 3.480 11.411 -6.476 295 HG SER 36 HG SER 36 2.576 12.926 -5.330 296 H THR 37 H THR 37 1.555 8.433 -8.559 297 HA THR 37 HA THR 37 3.623 9.472 -10.357 298 HB THR 37 HB THR 37 2.400 6.708 -10.231 299 HG1 THR 37 HG1 THR 37 3.811 7.397 -8.443 300 HG21 THR 37 HG21 THR 37 3.317 6.387 -12.237 301 HG22 THR 37 HG22 THR 37 4.001 8.013 -12.231 302 HG23 THR 37 HG23 THR 37 4.900 6.675 -11.514 303 H ASN 38 H ASN 38 0.252 8.514 -10.266 304 HA ASN 38 HA ASN 38 -0.034 9.035 -13.130 305 HB2 ASN 38 HB2 ASN 38 -1.115 7.020 -12.418 306 HB3 ASN 38 HB3 ASN 38 -1.906 7.846 -11.079 307 HD21 ASN 38 HD21 ASN 38 -1.560 8.746 -14.483 308 HD22 ASN 38 HD22 ASN 38 -3.254 8.839 -14.810 309 H LYS 39 H LYS 39 -0.056 11.202 -13.434 310 HA LYS 39 HA LYS 39 -0.983 13.188 -11.785 311 HB2 LYS 39 HB2 LYS 39 0.237 13.756 -13.764 312 HB3 LYS 39 HB3 LYS 39 -0.986 13.032 -14.799 313 HG2 LYS 39 HG2 LYS 39 -2.569 14.764 -14.183 314 HG3 LYS 39 HG3 LYS 39 -1.388 15.472 -13.079 315 HD2 LYS 39 HD2 LYS 39 -0.369 16.566 -14.737 316 HD3 LYS 39 HD3 LYS 39 -0.305 15.120 -15.746 317 HE2 LYS 39 HE2 LYS 39 -2.863 15.616 -16.060 318 HE3 LYS 39 HE3 LYS 39 -2.388 17.249 -15.597 319 HZ1 LYS 39 HZ1 LYS 39 -2.355 16.912 -18.007 320 HZ2 LYS 39 HZ2 LYS 39 -0.820 17.296 -17.408 321 HZ3 LYS 39 HZ3 LYS 39 -1.189 15.699 -17.828 322 H ASP 40 H ASP 40 -2.840 11.499 -14.309 323 HA ASP 40 HA ASP 40 -5.251 12.793 -14.092 324 HB2 ASP 40 HB2 ASP 40 -5.058 9.797 -14.383 325 HB3 ASP 40 HB3 ASP 40 -6.267 10.879 -15.066 326 H TRP 41 H TRP 41 -4.079 10.088 -12.115 327 HA TRP 41 HA TRP 41 -5.946 10.894 -10.013 328 HB2 TRP 41 HB2 TRP 41 -5.799 8.165 -11.274 329 HB3 TRP 41 HB3 TRP 41 -6.375 8.381 -9.623 330 HD1 TRP 41 HD1 TRP 41 -7.376 8.989 -13.250 331 HE1 TRP 41 HE1 TRP 41 -9.867 9.632 -13.329 332 HE3 TRP 41 HE3 TRP 41 -8.239 9.510 -8.238 333 HZ2 TRP 41 HZ2 TRP 41 -11.925 10.275 -11.508 334 HZ3 TRP 41 HZ3 TRP 41 -10.496 10.142 -7.489 335 HH2 TRP 41 HH2 TRP 41 -12.300 10.517 -9.092 336 H TRP 42 H TRP 42 -4.784 11.225 -8.246 337 HA TRP 42 HA TRP 42 -2.246 9.806 -7.911 338 HB2 TRP 42 HB2 TRP 42 -3.398 12.310 -6.704 339 HB3 TRP 42 HB3 TRP 42 -2.004 11.509 -5.984 340 HD1 TRP 42 HD1 TRP 42 -0.804 10.736 -9.004 341 HE1 TRP 42 HE1 TRP 42 0.449 12.607 -10.250 342 HE3 TRP 42 HE3 TRP 42 -2.648 14.775 -6.470 343 HZ2 TRP 42 HZ2 TRP 42 0.632 15.423 -10.169 344 HZ3 TRP 42 HZ3 TRP 42 -1.883 17.023 -7.116 345 HH2 TRP 42 HH2 TRP 42 -0.276 17.338 -8.927 346 H LYS 43 H LYS 43 -2.462 7.914 -6.898 347 HA LYS 43 HA LYS 43 -4.544 7.192 -5.172 348 HB2 LYS 43 HB2 LYS 43 -3.196 5.516 -6.285 349 HB3 LYS 43 HB3 LYS 43 -1.754 6.061 -5.441 350 HG2 LYS 43 HG2 LYS 43 -3.383 5.484 -3.354 351 HG3 LYS 43 HG3 LYS 43 -3.914 4.294 -4.544 352 HD2 LYS 43 HD2 LYS 43 -0.999 4.598 -4.297 353 HD3 LYS 43 HD3 LYS 43 -1.808 3.955 -2.866 354 HE2 LYS 43 HE2 LYS 43 -1.110 2.142 -4.312 355 HE3 LYS 43 HE3 LYS 43 -2.870 2.234 -4.267 356 HZ1 LYS 43 HZ1 LYS 43 -2.807 3.423 -6.385 357 HZ2 LYS 43 HZ2 LYS 43 -1.123 3.271 -6.433 358 HZ3 LYS 43 HZ3 LYS 43 -2.099 1.891 -6.513 359 H VAL 44 H VAL 44 -4.907 7.502 -3.064 360 HA VAL 44 HA VAL 44 -2.700 8.284 -1.311 361 HB VAL 44 HB VAL 44 -3.845 10.175 -0.390 362 HG11 VAL 44 HG11 VAL 44 -2.650 10.228 -2.755 363 HG12 VAL 44 HG12 VAL 44 -4.262 10.715 -3.280 364 HG13 VAL 44 HG13 VAL 44 -3.408 11.662 -2.062 365 HG21 VAL 44 HG21 VAL 44 -6.099 9.503 -2.280 366 HG22 VAL 44 HG22 VAL 44 -6.127 9.371 -0.522 367 HG23 VAL 44 HG23 VAL 44 -6.006 10.957 -1.285 368 H GLU 45 H GLU 45 -3.530 8.442 1.027 369 HA GLU 45 HA GLU 45 -5.546 6.341 1.483 370 HB2 GLU 45 HB2 GLU 45 -3.441 5.371 2.024 371 HB3 GLU 45 HB3 GLU 45 -2.920 6.812 2.885 372 HG2 GLU 45 HG2 GLU 45 -4.400 6.384 4.682 373 HG3 GLU 45 HG3 GLU 45 -5.235 5.121 3.780 374 H VAL 46 H VAL 46 -7.216 6.919 2.704 375 HA VAL 46 HA VAL 46 -6.893 9.059 4.678 376 HB VAL 46 HB VAL 46 -9.177 9.941 3.939 377 HG11 VAL 46 HG11 VAL 46 -8.183 11.572 2.629 378 HG12 VAL 46 HG12 VAL 46 -6.813 10.923 3.530 379 HG13 VAL 46 HG13 VAL 46 -7.083 10.429 1.859 380 HG21 VAL 46 HG21 VAL 46 -8.430 8.694 1.305 381 HG22 VAL 46 HG22 VAL 46 -9.564 7.940 2.426 382 HG23 VAL 46 HG23 VAL 46 -9.925 9.524 1.739 383 H ASN 47 H ASN 47 -7.770 8.518 6.565 384 HA ASN 47 HA ASN 47 -8.744 7.138 8.126 385 HB2 ASN 47 HB2 ASN 47 -11.315 6.997 7.636 386 HB3 ASN 47 HB3 ASN 47 -10.573 8.557 7.981 387 HD21 ASN 47 HD21 ASN 47 -11.846 6.479 5.481 388 HD22 ASN 47 HD22 ASN 47 -12.084 7.719 4.301 389 H ASP 48 H ASP 48 -7.444 5.308 7.194 390 HA ASP 48 HA ASP 48 -7.227 3.197 6.317 391 HB2 ASP 48 HB2 ASP 48 -9.714 3.158 7.996 392 HB3 ASP 48 HB3 ASP 48 -9.189 1.698 7.162 393 H ARG 49 H ARG 49 -8.379 5.034 4.457 394 HA ARG 49 HA ARG 49 -9.765 3.114 2.748 395 HB2 ARG 49 HB2 ARG 49 -11.034 5.390 3.987 396 HB3 ARG 49 HB3 ARG 49 -11.039 5.567 2.237 397 HG2 ARG 49 HG2 ARG 49 -11.914 3.003 3.498 398 HG3 ARG 49 HG3 ARG 49 -13.014 4.379 3.398 399 HD2 ARG 49 HD2 ARG 49 -11.719 3.997 0.873 400 HD3 ARG 49 HD3 ARG 49 -12.428 2.474 1.407 401 HE ARG 49 HE ARG 49 -14.444 4.187 1.812 402 HH11 ARG 49 HH11 ARG 49 -12.339 3.695 -0.918 403 HH12 ARG 49 HH12 ARG 49 -13.524 4.181 -2.085 404 HH21 ARG 49 HH21 ARG 49 -16.012 4.830 0.285 405 HH22 ARG 49 HH22 ARG 49 -15.612 4.828 -1.399 406 H GLN 50 H GLN 50 -7.730 3.083 1.657 407 HA GLN 50 HA GLN 50 -6.897 5.550 0.339 408 HB2 GLN 50 HB2 GLN 50 -4.856 4.504 -0.115 409 HB3 GLN 50 HB3 GLN 50 -5.299 3.875 1.466 410 HG2 GLN 50 HG2 GLN 50 -4.889 1.869 0.606 411 HG3 GLN 50 HG3 GLN 50 -6.428 2.051 -0.235 412 HE21 GLN 50 HE21 GLN 50 -2.966 2.655 -0.536 413 HE22 GLN 50 HE22 GLN 50 -2.903 2.486 -2.254 414 H GLY 51 H GLY 51 -6.714 5.756 -1.914 415 HA2 GLY 51 HA2 GLY 51 -7.563 3.679 -3.695 416 HA3 GLY 51 HA3 GLY 51 -8.809 4.896 -3.462 417 H PHE 52 H PHE 52 -8.786 6.586 -4.785 418 HA PHE 52 HA PHE 52 -6.255 7.511 -5.909 419 HB2 PHE 52 HB2 PHE 52 -8.566 6.425 -7.483 420 HB3 PHE 52 HB3 PHE 52 -7.549 7.686 -8.173 421 HD1 PHE 52 HD1 PHE 52 -7.983 4.221 -7.784 422 HD2 PHE 52 HD2 PHE 52 -4.979 7.220 -8.095 423 HE1 PHE 52 HE1 PHE 52 -6.357 2.514 -8.491 424 HE2 PHE 52 HE2 PHE 52 -3.349 5.518 -8.803 425 HZ PHE 52 HZ PHE 52 -4.037 3.162 -9.002 426 H VAL 53 H VAL 53 -6.133 9.654 -5.836 427 HA VAL 53 HA VAL 53 -8.634 11.181 -5.530 428 HB VAL 53 HB VAL 53 -6.359 11.162 -3.911 429 HG11 VAL 53 HG11 VAL 53 -5.239 12.567 -5.608 430 HG12 VAL 53 HG12 VAL 53 -6.510 13.774 -5.411 431 HG13 VAL 53 HG13 VAL 53 -5.441 13.391 -4.061 432 HG21 VAL 53 HG21 VAL 53 -7.770 12.207 -2.527 433 HG22 VAL 53 HG22 VAL 53 -8.010 13.548 -3.647 434 HG23 VAL 53 HG23 VAL 53 -8.954 12.069 -3.826 435 HA PRO 54 HA PRO 54 -7.821 13.142 -9.395 436 HB2 PRO 54 HB2 PRO 54 -9.382 15.338 -9.062 437 HB3 PRO 54 HB3 PRO 54 -10.042 13.730 -9.383 438 HG2 PRO 54 HG2 PRO 54 -9.778 15.185 -6.780 439 HG3 PRO 54 HG3 PRO 54 -11.140 14.231 -7.395 440 HD2 PRO 54 HD2 PRO 54 -9.367 13.249 -5.600 441 HD3 PRO 54 HD3 PRO 54 -10.161 12.226 -6.814 442 H ALA 55 H ALA 55 -5.945 14.105 -9.836 443 HA ALA 55 HA ALA 55 -4.527 15.771 -8.072 444 HB1 ALA 55 HB1 ALA 55 -3.491 14.454 -9.887 445 HB2 ALA 55 HB2 ALA 55 -4.191 15.568 -11.061 446 HB3 ALA 55 HB3 ALA 55 -2.997 16.147 -9.900 447 H ALA 56 H ALA 56 -6.198 16.617 -11.111 448 HA ALA 56 HA ALA 56 -5.858 19.336 -11.094 449 HB1 ALA 56 HB1 ALA 56 -8.350 17.856 -11.929 450 HB2 ALA 56 HB2 ALA 56 -7.906 19.492 -12.414 451 HB3 ALA 56 HB3 ALA 56 -6.921 18.122 -12.927 452 H TYR 57 H TYR 57 -8.082 17.427 -9.168 453 HA TYR 57 HA TYR 57 -9.288 19.839 -8.043 454 HB2 TYR 57 HB2 TYR 57 -9.940 16.905 -7.765 455 HB3 TYR 57 HB3 TYR 57 -10.735 18.155 -6.814 456 HD1 TYR 57 HD1 TYR 57 -11.198 16.133 -9.525 457 HD2 TYR 57 HD2 TYR 57 -11.481 20.244 -8.467 458 HE1 TYR 57 HE1 TYR 57 -12.812 16.484 -11.348 459 HE2 TYR 57 HE2 TYR 57 -13.096 20.607 -10.287 460 HH TYR 57 HH TYR 57 -14.634 19.380 -11.656 461 H VAL 58 H VAL 58 -6.572 19.479 -7.463 462 HA VAL 58 HA VAL 58 -6.706 19.346 -4.560 463 HB VAL 58 HB VAL 58 -5.896 17.084 -5.809 464 HG11 VAL 58 HG11 VAL 58 -3.307 18.430 -5.102 465 HG12 VAL 58 HG12 VAL 58 -3.563 16.915 -5.969 466 HG13 VAL 58 HG13 VAL 58 -3.952 18.451 -6.743 467 HG21 VAL 58 HG21 VAL 58 -4.691 18.086 -3.234 468 HG22 VAL 58 HG22 VAL 58 -6.342 17.484 -3.386 469 HG23 VAL 58 HG23 VAL 58 -4.979 16.410 -3.702 470 H LYS 59 H LYS 59 -4.519 19.984 -3.602 471 HA LYS 59 HA LYS 59 -2.818 21.587 -5.297 472 HB2 LYS 59 HB2 LYS 59 -4.983 22.779 -3.764 473 HB3 LYS 59 HB3 LYS 59 -3.417 23.427 -3.296 474 HG2 LYS 59 HG2 LYS 59 -3.540 23.307 -6.138 475 HG3 LYS 59 HG3 LYS 59 -4.996 24.100 -5.534 476 HD2 LYS 59 HD2 LYS 59 -2.185 24.843 -4.729 477 HD3 LYS 59 HD3 LYS 59 -3.116 25.665 -5.983 478 HE2 LYS 59 HE2 LYS 59 -3.826 25.448 -3.060 479 HE3 LYS 59 HE3 LYS 59 -3.263 26.892 -3.900 480 HZ1 LYS 59 HZ1 LYS 59 -5.545 27.163 -3.822 481 HZ2 LYS 59 HZ2 LYS 59 -5.313 26.521 -5.370 482 HZ3 LYS 59 HZ3 LYS 59 -5.869 25.529 -4.118 483 H LYS 60 H LYS 60 -0.865 21.014 -4.628 484 HA LYS 60 HA LYS 60 -0.312 19.873 -2.108 485 HB2 LYS 60 HB2 LYS 60 0.989 19.811 -4.412 486 HB3 LYS 60 HB3 LYS 60 1.857 21.166 -3.702 487 HG2 LYS 60 HG2 LYS 60 1.583 18.431 -2.471 488 HG3 LYS 60 HG3 LYS 60 3.002 19.039 -3.328 489 HD2 LYS 60 HD2 LYS 60 2.668 21.008 -1.523 490 HD3 LYS 60 HD3 LYS 60 2.016 19.645 -0.610 491 HE2 LYS 60 HE2 LYS 60 4.536 19.093 -2.008 492 HE3 LYS 60 HE3 LYS 60 4.652 20.317 -0.745 493 HZ1 LYS 60 HZ1 LYS 60 3.144 18.005 0.049 494 HZ2 LYS 60 HZ2 LYS 60 4.746 17.638 -0.353 495 HZ3 LYS 60 HZ3 LYS 60 4.416 18.790 0.842 496 H LEU 61 H LEU 61 -1.008 21.253 -0.477 497 HA LEU 61 HA LEU 61 0.516 23.759 -0.196 498 HB2 LEU 61 HB2 LEU 61 -2.130 23.077 1.072 499 HB3 LEU 61 HB3 LEU 61 -1.294 24.627 1.136 500 HG LEU 61 HG LEU 61 -2.290 23.434 -1.441 501 HD11 LEU 61 HD11 LEU 61 -3.809 24.610 0.735 502 HD12 LEU 61 HD12 LEU 61 -3.995 25.499 -0.777 503 HD13 LEU 61 HD13 LEU 61 -4.366 23.776 -0.715 504 HD21 LEU 61 HD21 LEU 61 -0.936 25.112 -2.122 505 HD22 LEU 61 HD22 LEU 61 -2.351 26.096 -1.749 506 HD23 LEU 61 HD23 LEU 61 -1.034 25.967 -0.583 507 H ASP 62 H ASP 62 1.881 21.604 0.563 508 HA ASP 62 HA ASP 62 2.959 20.577 2.288 509 HB2 ASP 62 HB2 ASP 62 2.333 23.307 3.218 510 HB3 ASP 62 HB3 ASP 62 2.734 22.158 4.491 Start of MODEL 10 1 H1 MET 1 H MET 1 2.388 0.010 -3.186 2 HA MET 1 HA MET 1 0.677 2.133 -3.858 3 HB2 MET 1 HB2 MET 1 1.098 0.990 -1.095 4 HB3 MET 1 HB3 MET 1 -0.339 1.802 -1.701 5 HG2 MET 1 HG2 MET 1 -0.270 -0.161 -3.464 6 HG3 MET 1 HG3 MET 1 0.624 -0.961 -2.173 7 HE1 MET 1 HE1 MET 1 -0.748 -2.776 -1.716 8 HE2 MET 1 HE2 MET 1 -2.400 -2.785 -1.100 9 HE3 MET 1 HE3 MET 1 -2.102 -2.548 -2.822 10 H ASP 2 H ASP 2 2.598 2.045 -0.868 11 HA ASP 2 HA ASP 2 2.975 4.947 -1.126 12 HB2 ASP 2 HB2 ASP 2 1.838 4.157 0.921 13 HB3 ASP 2 HB3 ASP 2 3.255 3.190 1.321 14 H GLU 3 H GLU 3 4.627 3.701 -2.775 15 HA GLU 3 HA GLU 3 7.229 4.048 -1.489 16 HB2 GLU 3 HB2 GLU 3 6.221 1.515 -2.082 17 HB3 GLU 3 HB3 GLU 3 7.317 1.872 -3.410 18 HG2 GLU 3 HG2 GLU 3 8.952 2.562 -1.502 19 HG3 GLU 3 HG3 GLU 3 7.899 1.559 -0.505 20 H THR 4 H THR 4 5.788 5.781 -3.198 21 HA THR 4 HA THR 4 7.695 5.952 -5.408 22 HB THR 4 HB THR 4 4.897 6.633 -6.120 23 HG1 THR 4 HG1 THR 4 4.181 4.662 -5.895 24 HG21 THR 4 HG21 THR 4 6.204 6.959 -7.949 25 HG22 THR 4 HG22 THR 4 7.402 5.769 -7.440 26 HG23 THR 4 HG23 THR 4 5.894 5.239 -8.186 27 H GLY 5 H GLY 5 7.453 7.416 -2.941 28 HA2 GLY 5 HA2 GLY 5 8.061 9.703 -2.658 29 HA3 GLY 5 HA3 GLY 5 7.120 10.098 -4.089 30 H LYS 6 H LYS 6 7.098 9.723 -0.674 31 HA LYS 6 HA LYS 6 4.203 9.981 -0.488 32 HB2 LYS 6 HB2 LYS 6 4.552 9.783 1.934 33 HB3 LYS 6 HB3 LYS 6 5.322 8.463 1.064 34 HG2 LYS 6 HG2 LYS 6 7.356 10.253 1.212 35 HG3 LYS 6 HG3 LYS 6 6.498 10.574 2.720 36 HD2 LYS 6 HD2 LYS 6 6.584 8.150 3.231 37 HD3 LYS 6 HD3 LYS 6 7.544 7.907 1.770 38 HE2 LYS 6 HE2 LYS 6 9.237 9.472 2.683 39 HE3 LYS 6 HE3 LYS 6 8.295 9.576 4.169 40 HZ1 LYS 6 HZ1 LYS 6 8.635 7.247 4.553 41 HZ2 LYS 6 HZ2 LYS 6 9.426 7.060 3.069 42 HZ3 LYS 6 HZ3 LYS 6 10.141 7.976 4.299 43 H GLU 7 H GLU 7 3.187 11.863 -0.280 44 HA GLU 7 HA GLU 7 4.542 14.132 0.949 45 HB2 GLU 7 HB2 GLU 7 3.912 15.639 -0.906 46 HB3 GLU 7 HB3 GLU 7 5.077 14.417 -1.396 47 HG2 GLU 7 HG2 GLU 7 2.643 13.242 -1.942 48 HG3 GLU 7 HG3 GLU 7 2.399 14.934 -2.375 49 H LEU 8 H LEU 8 2.756 16.107 0.530 50 HA LEU 8 HA LEU 8 0.169 15.015 1.411 51 HB2 LEU 8 HB2 LEU 8 2.008 16.585 2.917 52 HB3 LEU 8 HB3 LEU 8 0.569 17.554 2.608 53 HG LEU 8 HG LEU 8 -0.826 15.958 3.716 54 HD11 LEU 8 HD11 LEU 8 0.240 13.944 4.802 55 HD12 LEU 8 HD12 LEU 8 0.074 13.879 3.048 56 HD13 LEU 8 HD13 LEU 8 1.640 14.240 3.773 57 HD21 LEU 8 HD21 LEU 8 -0.029 17.352 5.351 58 HD22 LEU 8 HD22 LEU 8 0.514 15.792 5.967 59 HD23 LEU 8 HD23 LEU 8 1.645 16.848 5.121 60 H VAL 9 H VAL 9 -1.668 16.284 0.924 61 HA VAL 9 HA VAL 9 -1.292 18.619 -0.785 62 HB VAL 9 HB VAL 9 -2.717 17.798 -2.551 63 HG11 VAL 9 HG11 VAL 9 -0.473 15.906 -1.868 64 HG12 VAL 9 HG12 VAL 9 -1.286 15.955 -3.432 65 HG13 VAL 9 HG13 VAL 9 -0.384 17.359 -2.863 66 HG21 VAL 9 HG21 VAL 9 -4.241 16.380 -1.435 67 HG22 VAL 9 HG22 VAL 9 -3.348 15.342 -2.546 68 HG23 VAL 9 HG23 VAL 9 -2.950 15.344 -0.827 69 H LEU 10 H LEU 10 -3.423 19.663 -1.305 70 HA LEU 10 HA LEU 10 -5.298 19.299 0.940 71 HB2 LEU 10 HB2 LEU 10 -4.204 21.742 -0.370 72 HB3 LEU 10 HB3 LEU 10 -5.828 21.795 0.312 73 HG LEU 10 HG LEU 10 -4.042 22.676 1.811 74 HD11 LEU 10 HD11 LEU 10 -6.277 21.409 2.460 75 HD12 LEU 10 HD12 LEU 10 -5.130 20.277 3.175 76 HD13 LEU 10 HD13 LEU 10 -5.130 21.967 3.678 77 HD21 LEU 10 HD21 LEU 10 -2.502 21.180 2.869 78 HD22 LEU 10 HD22 LEU 10 -3.201 19.791 2.037 79 HD23 LEU 10 HD23 LEU 10 -2.317 21.014 1.123 80 H ALA 11 H ALA 11 -7.475 19.289 0.525 81 HA ALA 11 HA ALA 11 -8.309 18.497 -2.066 82 HB1 ALA 11 HB1 ALA 11 -10.647 19.007 -0.867 83 HB2 ALA 11 HB2 ALA 11 -9.698 17.555 -0.548 84 HB3 ALA 11 HB3 ALA 11 -9.606 18.928 0.555 85 H LEU 12 H LEU 12 -8.387 19.858 -3.733 86 HA LEU 12 HA LEU 12 -8.875 22.675 -3.379 87 HB2 LEU 12 HB2 LEU 12 -7.302 21.670 -5.068 88 HB3 LEU 12 HB3 LEU 12 -8.724 21.138 -5.963 89 HG LEU 12 HG LEU 12 -7.574 23.256 -6.766 90 HD11 LEU 12 HD11 LEU 12 -10.203 22.453 -6.809 91 HD12 LEU 12 HD12 LEU 12 -10.302 24.122 -6.249 92 HD13 LEU 12 HD13 LEU 12 -9.499 23.750 -7.774 93 HD21 LEU 12 HD21 LEU 12 -9.102 24.755 -4.721 94 HD22 LEU 12 HD22 LEU 12 -7.575 24.033 -4.215 95 HD23 LEU 12 HD23 LEU 12 -7.608 25.175 -5.558 96 H TYR 13 H TYR 13 -10.698 19.864 -4.327 97 HA TYR 13 HA TYR 13 -13.116 21.512 -4.415 98 HB2 TYR 13 HB2 TYR 13 -12.609 21.273 -6.738 99 HB3 TYR 13 HB3 TYR 13 -12.249 19.561 -6.550 100 HD1 TYR 13 HD1 TYR 13 -15.143 21.700 -5.525 101 HD2 TYR 13 HD2 TYR 13 -13.801 18.289 -7.685 102 HE1 TYR 13 HE1 TYR 13 -17.471 21.155 -6.099 103 HE2 TYR 13 HE2 TYR 13 -16.125 17.735 -8.266 104 HH TYR 13 HH TYR 13 -18.369 19.210 -8.486 105 H ASP 14 H ASP 14 -14.843 20.600 -3.446 106 HA ASP 14 HA ASP 14 -14.508 18.368 -1.776 107 HB2 ASP 14 HB2 ASP 14 -17.129 19.542 -2.724 108 HB3 ASP 14 HB3 ASP 14 -16.864 18.590 -1.266 109 H TYR 15 H TYR 15 -14.073 16.418 -2.619 110 HA TYR 15 HA TYR 15 -15.774 15.441 -4.813 111 HB2 TYR 15 HB2 TYR 15 -13.026 15.494 -4.652 112 HB3 TYR 15 HB3 TYR 15 -13.403 13.845 -4.167 113 HD1 TYR 15 HD1 TYR 15 -13.989 16.336 -6.864 114 HD2 TYR 15 HD2 TYR 15 -13.924 12.223 -5.776 115 HE1 TYR 15 HE1 TYR 15 -14.266 15.713 -9.227 116 HE2 TYR 15 HE2 TYR 15 -14.199 11.589 -8.136 117 HH TYR 15 HH TYR 15 -14.014 12.396 -10.294 118 H GLN 16 H GLN 16 -17.260 13.983 -4.317 119 HA GLN 16 HA GLN 16 -17.103 12.598 -1.750 120 HB2 GLN 16 HB2 GLN 16 -19.316 13.152 -3.698 121 HB3 GLN 16 HB3 GLN 16 -19.492 11.878 -2.499 122 HG2 GLN 16 HG2 GLN 16 -20.492 13.984 -1.767 123 HG3 GLN 16 HG3 GLN 16 -19.181 13.466 -0.708 124 HE21 GLN 16 HE21 GLN 16 -19.329 15.234 -3.783 125 HE22 GLN 16 HE22 GLN 16 -18.400 16.587 -3.245 126 H GLU 17 H GLU 17 -15.711 11.962 -4.462 127 HA GLU 17 HA GLU 17 -15.226 10.130 -5.752 128 HB2 GLU 17 HB2 GLU 17 -14.522 8.234 -4.493 129 HB3 GLU 17 HB3 GLU 17 -14.201 9.652 -3.505 130 HG2 GLU 17 HG2 GLU 17 -16.023 9.202 -2.084 131 HG3 GLU 17 HG3 GLU 17 -16.692 8.008 -3.195 132 H LYS 18 H LYS 18 -15.978 7.430 -5.460 133 HA LYS 18 HA LYS 18 -18.771 7.062 -5.291 134 HB2 LYS 18 HB2 LYS 18 -17.753 8.077 -7.816 135 HB3 LYS 18 HB3 LYS 18 -18.548 6.521 -8.017 136 HG2 LYS 18 HG2 LYS 18 -20.566 7.414 -7.765 137 HG3 LYS 18 HG3 LYS 18 -20.076 8.310 -6.326 138 HD2 LYS 18 HD2 LYS 18 -19.298 10.131 -7.597 139 HD3 LYS 18 HD3 LYS 18 -19.302 9.194 -9.093 140 HE2 LYS 18 HE2 LYS 18 -21.871 9.563 -7.634 141 HE3 LYS 18 HE3 LYS 18 -21.217 10.926 -8.540 142 HZ1 LYS 18 HZ1 LYS 18 -22.217 10.006 -10.286 143 HZ2 LYS 18 HZ2 LYS 18 -20.989 8.842 -10.267 144 HZ3 LYS 18 HZ3 LYS 18 -22.464 8.529 -9.499 145 H SER 19 H SER 19 -15.779 6.014 -6.861 146 HA SER 19 HA SER 19 -16.625 3.225 -6.704 147 HB2 SER 19 HB2 SER 19 -14.881 4.716 -8.413 148 HB3 SER 19 HB3 SER 19 -13.946 3.437 -7.637 149 HG SER 19 HG SER 19 -16.451 2.952 -8.857 150 HA PRO 20 HA PRO 20 -14.310 2.133 -3.143 151 HB2 PRO 20 HB2 PRO 20 -13.196 -0.243 -3.841 152 HB3 PRO 20 HB3 PRO 20 -14.923 -0.050 -3.515 153 HG2 PRO 20 HG2 PRO 20 -13.491 -0.143 -6.142 154 HG3 PRO 20 HG3 PRO 20 -15.013 -0.921 -5.669 155 HD2 PRO 20 HD2 PRO 20 -14.934 1.364 -7.120 156 HD3 PRO 20 HD3 PRO 20 -16.238 1.008 -5.969 157 H ARG 21 H ARG 21 -12.606 2.276 -6.186 158 HA ARG 21 HA ARG 21 -10.004 2.295 -4.872 159 HB2 ARG 21 HB2 ARG 21 -9.060 1.943 -6.947 160 HB3 ARG 21 HB3 ARG 21 -10.623 1.166 -7.155 161 HG2 ARG 21 HG2 ARG 21 -11.410 3.390 -8.122 162 HG3 ARG 21 HG3 ARG 21 -9.699 3.816 -8.207 163 HD2 ARG 21 HD2 ARG 21 -10.564 2.878 -10.321 164 HD3 ARG 21 HD3 ARG 21 -9.254 1.921 -9.630 165 HE ARG 21 HE ARG 21 -10.712 0.175 -9.370 166 HH11 ARG 21 HH11 ARG 21 -12.516 3.095 -9.954 167 HH12 ARG 21 HH12 ARG 21 -14.035 2.279 -10.117 168 HH21 ARG 21 HH21 ARG 21 -12.706 -0.911 -9.583 169 HH22 ARG 21 HH22 ARG 21 -14.143 0.000 -9.905 170 H GLU 22 H GLU 22 -12.187 4.474 -4.793 171 HA GLU 22 HA GLU 22 -10.499 6.713 -5.691 172 HB2 GLU 22 HB2 GLU 22 -13.471 6.396 -5.436 173 HB3 GLU 22 HB3 GLU 22 -12.747 7.997 -5.378 174 HG2 GLU 22 HG2 GLU 22 -11.681 7.523 -7.576 175 HG3 GLU 22 HG3 GLU 22 -12.595 6.017 -7.636 176 H VAL 23 H VAL 23 -10.652 8.697 -4.338 177 HA VAL 23 HA VAL 23 -10.875 8.005 -1.480 178 HB VAL 23 HB VAL 23 -8.793 9.585 -2.937 179 HG11 VAL 23 HG11 VAL 23 -9.901 10.170 -0.248 180 HG12 VAL 23 HG12 VAL 23 -8.149 10.233 -0.442 181 HG13 VAL 23 HG13 VAL 23 -9.184 11.254 -1.440 182 HG21 VAL 23 HG21 VAL 23 -7.934 8.153 -0.603 183 HG22 VAL 23 HG22 VAL 23 -8.907 7.102 -1.632 184 HG23 VAL 23 HG23 VAL 23 -7.484 7.909 -2.290 185 H THR 24 H THR 24 -12.133 9.264 -0.250 186 HA THR 24 HA THR 24 -13.555 11.454 -1.525 187 HB THR 24 HB THR 24 -13.967 10.511 1.306 188 HG1 THR 24 HG1 THR 24 -14.476 8.654 0.406 189 HG21 THR 24 HG21 THR 24 -15.052 12.617 0.091 190 HG22 THR 24 HG22 THR 24 -16.155 11.377 -0.507 191 HG23 THR 24 HG23 THR 24 -15.960 11.621 1.229 192 H MET 25 H MET 25 -12.940 13.499 -1.343 193 HA MET 25 HA MET 25 -11.477 14.323 1.074 194 HB2 MET 25 HB2 MET 25 -9.971 15.645 -0.185 195 HB3 MET 25 HB3 MET 25 -10.027 14.086 -0.996 196 HG2 MET 25 HG2 MET 25 -12.016 15.862 -2.073 197 HG3 MET 25 HG3 MET 25 -10.418 16.602 -2.123 198 HE1 MET 25 HE1 MET 25 -8.719 16.204 -3.480 199 HE2 MET 25 HE2 MET 25 -8.570 15.040 -4.797 200 HE3 MET 25 HE3 MET 25 -9.698 16.388 -4.935 201 H LYS 26 H LYS 26 -11.737 16.534 1.691 202 HA LYS 26 HA LYS 26 -14.164 17.783 0.578 203 HB2 LYS 26 HB2 LYS 26 -13.320 17.268 3.370 204 HB3 LYS 26 HB3 LYS 26 -14.062 18.832 3.062 205 HG2 LYS 26 HG2 LYS 26 -15.771 17.145 1.775 206 HG3 LYS 26 HG3 LYS 26 -15.255 16.166 3.151 207 HD2 LYS 26 HD2 LYS 26 -16.848 17.259 4.288 208 HD3 LYS 26 HD3 LYS 26 -15.709 18.607 4.308 209 HE2 LYS 26 HE2 LYS 26 -16.805 19.730 2.620 210 HE3 LYS 26 HE3 LYS 26 -17.522 18.259 1.964 211 HZ1 LYS 26 HZ1 LYS 26 -18.760 18.249 4.234 212 HZ2 LYS 26 HZ2 LYS 26 -18.403 19.903 4.232 213 HZ3 LYS 26 HZ3 LYS 26 -19.314 19.232 2.973 214 H LYS 27 H LYS 27 -13.953 19.783 -0.193 215 HA LYS 27 HA LYS 27 -11.645 21.074 -0.732 216 HB2 LYS 27 HB2 LYS 27 -13.965 21.727 -1.474 217 HB3 LYS 27 HB3 LYS 27 -14.154 22.552 0.068 218 HG2 LYS 27 HG2 LYS 27 -12.207 23.965 -0.490 219 HG3 LYS 27 HG3 LYS 27 -12.131 23.183 -2.071 220 HD2 LYS 27 HD2 LYS 27 -13.715 24.528 -2.867 221 HD3 LYS 27 HD3 LYS 27 -14.805 24.095 -1.547 222 HE2 LYS 27 HE2 LYS 27 -13.975 25.824 -0.169 223 HE3 LYS 27 HE3 LYS 27 -12.584 26.095 -1.217 224 HZ1 LYS 27 HZ1 LYS 27 -13.817 27.729 -2.070 225 HZ2 LYS 27 HZ2 LYS 27 -14.676 26.513 -2.874 226 HZ3 LYS 27 HZ3 LYS 27 -15.259 27.136 -1.413 227 H GLY 28 H GLY 28 -10.021 21.326 0.694 228 HA2 GLY 28 HA2 GLY 28 -9.014 22.865 2.242 229 HA3 GLY 28 HA3 GLY 28 -10.571 23.016 3.042 230 H ASP 29 H ASP 29 -9.056 19.992 2.063 231 HA ASP 29 HA ASP 29 -8.549 19.371 4.893 232 HB2 ASP 29 HB2 ASP 29 -9.844 17.515 4.893 233 HB3 ASP 29 HB3 ASP 29 -10.667 18.312 3.555 234 H ILE 30 H ILE 30 -6.931 17.765 5.268 235 HA ILE 30 HA ILE 30 -4.926 17.706 3.137 236 HB ILE 30 HB ILE 30 -4.325 18.515 5.445 237 HG12 ILE 30 HG12 ILE 30 -2.230 16.976 5.542 238 HG13 ILE 30 HG13 ILE 30 -2.894 16.251 4.082 239 HG21 ILE 30 HG21 ILE 30 -3.924 16.832 7.175 240 HG22 ILE 30 HG22 ILE 30 -5.628 16.902 6.725 241 HG23 ILE 30 HG23 ILE 30 -4.611 15.592 6.127 242 HD11 ILE 30 HD11 ILE 30 -2.866 19.123 3.888 243 HD12 ILE 30 HD12 ILE 30 -1.262 18.486 4.255 244 HD13 ILE 30 HD13 ILE 30 -2.136 17.912 2.834 245 H LEU 31 H LEU 31 -4.037 15.829 2.344 246 HA LEU 31 HA LEU 31 -5.196 13.294 3.278 247 HB2 LEU 31 HB2 LEU 31 -4.660 13.779 0.374 248 HB3 LEU 31 HB3 LEU 31 -5.685 12.558 1.126 249 HG LEU 31 HG LEU 31 -6.430 15.445 1.335 250 HD11 LEU 31 HD11 LEU 31 -7.568 13.926 -0.920 251 HD12 LEU 31 HD12 LEU 31 -7.178 15.641 -0.782 252 HD13 LEU 31 HD13 LEU 31 -5.902 14.470 -1.113 253 HD21 LEU 31 HD21 LEU 31 -8.041 12.902 1.135 254 HD22 LEU 31 HD22 LEU 31 -7.644 13.747 2.631 255 HD23 LEU 31 HD23 LEU 31 -8.673 14.522 1.427 256 H THR 32 H THR 32 -3.916 11.411 2.819 257 HA THR 32 HA THR 32 -1.056 12.032 2.771 258 HB THR 32 HB THR 32 -2.164 9.299 3.330 259 HG1 THR 32 HG1 THR 32 -3.319 10.567 4.751 260 HG21 THR 32 HG21 THR 32 0.148 10.674 4.662 261 HG22 THR 32 HG22 THR 32 -0.162 8.947 4.483 262 HG23 THR 32 HG23 THR 32 0.333 9.904 3.086 263 H LEU 33 H LEU 33 -0.194 12.024 0.794 264 HA LEU 33 HA LEU 33 -1.244 10.626 -1.421 265 HB2 LEU 33 HB2 LEU 33 1.210 12.177 -0.836 266 HB3 LEU 33 HB3 LEU 33 1.268 11.081 -2.215 267 HG LEU 33 HG LEU 33 0.685 13.483 -2.722 268 HD11 LEU 33 HD11 LEU 33 -1.614 11.847 -3.611 269 HD12 LEU 33 HD12 LEU 33 -0.488 12.831 -4.546 270 HD13 LEU 33 HD13 LEU 33 -0.001 11.234 -3.978 271 HD21 LEU 33 HD21 LEU 33 -0.751 14.016 -0.893 272 HD22 LEU 33 HD22 LEU 33 -1.721 14.064 -2.364 273 HD23 LEU 33 HD23 LEU 33 -1.834 12.679 -1.278 274 H LEU 34 H LEU 34 -0.537 8.774 -2.480 275 HA LEU 34 HA LEU 34 1.242 7.022 -0.915 276 HB2 LEU 34 HB2 LEU 34 -1.436 6.574 -2.027 277 HB3 LEU 34 HB3 LEU 34 -0.278 5.288 -2.361 278 HG LEU 34 HG LEU 34 -0.173 6.012 0.419 279 HD11 LEU 34 HD11 LEU 34 -2.827 5.953 -0.785 280 HD12 LEU 34 HD12 LEU 34 -2.626 4.794 0.528 281 HD13 LEU 34 HD13 LEU 34 -2.314 6.507 0.809 282 HD21 LEU 34 HD21 LEU 34 0.607 3.905 -0.569 283 HD22 LEU 34 HD22 LEU 34 -0.578 3.634 0.709 284 HD23 LEU 34 HD23 LEU 34 -1.056 3.491 -0.983 285 H ASN 35 H ASN 35 -0.190 7.216 -4.181 286 HA ASN 35 HA ASN 35 2.225 6.087 -5.326 287 HB2 ASN 35 HB2 ASN 35 0.059 5.334 -6.175 288 HB3 ASN 35 HB3 ASN 35 -0.357 6.985 -6.626 289 HD21 ASN 35 HD21 ASN 35 2.697 5.255 -7.007 290 HD22 ASN 35 HD22 ASN 35 2.745 5.358 -8.731 291 H SER 36 H SER 36 0.247 8.885 -6.308 292 HA SER 36 HA SER 36 0.810 10.983 -6.990 293 HB2 SER 36 HB2 SER 36 2.857 10.292 -5.056 294 HB3 SER 36 HB3 SER 36 3.504 11.342 -6.317 295 HG SER 36 HG SER 36 2.065 12.058 -4.255 296 H THR 37 H THR 37 1.570 8.398 -8.448 297 HA THR 37 HA THR 37 3.665 9.438 -10.217 298 HB THR 37 HB THR 37 2.431 6.677 -10.134 299 HG1 THR 37 HG1 THR 37 4.641 7.852 -8.871 300 HG21 THR 37 HG21 THR 37 4.262 6.027 -11.599 301 HG22 THR 37 HG22 THR 37 3.314 7.311 -12.348 302 HG23 THR 37 HG23 THR 37 4.870 7.682 -11.606 303 H ASN 38 H ASN 38 0.291 8.482 -10.163 304 HA ASN 38 HA ASN 38 0.032 9.026 -13.026 305 HB2 ASN 38 HB2 ASN 38 -1.054 7.005 -12.337 306 HB3 ASN 38 HB3 ASN 38 -1.861 7.823 -11.002 307 HD21 ASN 38 HD21 ASN 38 -1.477 8.738 -14.399 308 HD22 ASN 38 HD22 ASN 38 -3.167 8.836 -14.744 309 H LYS 39 H LYS 39 0.030 11.201 -13.297 310 HA LYS 39 HA LYS 39 -0.917 13.172 -11.647 311 HB2 LYS 39 HB2 LYS 39 0.321 13.760 -13.606 312 HB3 LYS 39 HB3 LYS 39 -0.887 13.039 -14.662 313 HG2 LYS 39 HG2 LYS 39 -2.484 14.760 -14.051 314 HG3 LYS 39 HG3 LYS 39 -1.316 15.467 -12.932 315 HD2 LYS 39 HD2 LYS 39 -1.109 16.794 -14.834 316 HD3 LYS 39 HD3 LYS 39 0.220 15.644 -14.996 317 HE2 LYS 39 HE2 LYS 39 -2.435 15.031 -16.221 318 HE3 LYS 39 HE3 LYS 39 -1.338 16.148 -17.030 319 HZ1 LYS 39 HZ1 LYS 39 0.273 14.071 -16.415 320 HZ2 LYS 39 HZ2 LYS 39 -1.182 13.286 -16.775 321 HZ3 LYS 39 HZ3 LYS 39 -0.468 14.311 -17.917 322 H ASP 40 H ASP 40 -2.752 11.513 -14.207 323 HA ASP 40 HA ASP 40 -5.164 12.806 -13.996 324 HB2 ASP 40 HB2 ASP 40 -4.973 9.813 -14.318 325 HB3 ASP 40 HB3 ASP 40 -6.173 10.906 -15.003 326 H TRP 41 H TRP 41 -4.018 10.072 -12.044 327 HA TRP 41 HA TRP 41 -5.903 10.858 -9.949 328 HB2 TRP 41 HB2 TRP 41 -5.734 8.134 -11.224 329 HB3 TRP 41 HB3 TRP 41 -6.350 8.351 -9.588 330 HD1 TRP 41 HD1 TRP 41 -7.268 8.931 -13.235 331 HE1 TRP 41 HE1 TRP 41 -9.753 9.588 -13.375 332 HE3 TRP 41 HE3 TRP 41 -8.234 9.524 -8.250 333 HZ2 TRP 41 HZ2 TRP 41 -11.845 10.269 -11.607 334 HZ3 TRP 41 HZ3 TRP 41 -10.502 10.180 -7.558 335 HH2 TRP 41 HH2 TRP 41 -12.269 10.544 -9.203 336 H TRP 42 H TRP 42 -4.747 11.184 -8.178 337 HA TRP 42 HA TRP 42 -2.224 9.742 -7.824 338 HB2 TRP 42 HB2 TRP 42 -3.353 12.267 -6.642 339 HB3 TRP 42 HB3 TRP 42 -1.981 11.451 -5.897 340 HD1 TRP 42 HD1 TRP 42 -0.776 10.643 -8.917 341 HE1 TRP 42 HE1 TRP 42 0.532 12.486 -10.149 342 HE3 TRP 42 HE3 TRP 42 -2.536 14.719 -6.383 343 HZ2 TRP 42 HZ2 TRP 42 0.785 15.296 -10.058 344 HZ3 TRP 42 HZ3 TRP 42 -1.711 16.948 -7.017 345 HH2 TRP 42 HH2 TRP 42 -0.084 17.229 -8.816 346 H LYS 43 H LYS 43 -2.463 7.859 -6.802 347 HA LYS 43 HA LYS 43 -4.563 7.148 -5.103 348 HB2 LYS 43 HB2 LYS 43 -3.172 5.474 -6.176 349 HB3 LYS 43 HB3 LYS 43 -1.761 6.030 -5.286 350 HG2 LYS 43 HG2 LYS 43 -3.396 5.458 -3.235 351 HG3 LYS 43 HG3 LYS 43 -3.983 4.298 -4.429 352 HD2 LYS 43 HD2 LYS 43 -1.094 4.377 -4.371 353 HD3 LYS 43 HD3 LYS 43 -1.758 4.023 -2.774 354 HE2 LYS 43 HE2 LYS 43 -1.381 1.963 -3.988 355 HE3 LYS 43 HE3 LYS 43 -3.110 2.220 -3.762 356 HZ1 LYS 43 HZ1 LYS 43 -1.807 3.132 -6.238 357 HZ2 LYS 43 HZ2 LYS 43 -2.223 1.502 -6.061 358 HZ3 LYS 43 HZ3 LYS 43 -3.420 2.694 -5.978 359 H VAL 44 H VAL 44 -4.993 7.542 -3.028 360 HA VAL 44 HA VAL 44 -2.827 8.303 -1.215 361 HB VAL 44 HB VAL 44 -3.963 10.237 -0.366 362 HG11 VAL 44 HG11 VAL 44 -2.687 10.198 -2.708 363 HG12 VAL 44 HG12 VAL 44 -4.259 10.772 -3.264 364 HG13 VAL 44 HG13 VAL 44 -3.379 11.671 -2.028 365 HG21 VAL 44 HG21 VAL 44 -6.052 11.049 -1.569 366 HG22 VAL 44 HG22 VAL 44 -6.173 9.419 -2.232 367 HG23 VAL 44 HG23 VAL 44 -6.245 9.669 -0.487 368 H GLU 45 H GLU 45 -3.588 8.378 1.081 369 HA GLU 45 HA GLU 45 -5.716 6.384 1.509 370 HB2 GLU 45 HB2 GLU 45 -3.714 5.335 2.161 371 HB3 GLU 45 HB3 GLU 45 -3.086 6.799 2.904 372 HG2 GLU 45 HG2 GLU 45 -4.625 6.609 4.728 373 HG3 GLU 45 HG3 GLU 45 -5.448 5.259 3.949 374 H VAL 46 H VAL 46 -7.391 6.967 2.732 375 HA VAL 46 HA VAL 46 -7.097 9.090 4.712 376 HB VAL 46 HB VAL 46 -9.285 10.108 3.843 377 HG11 VAL 46 HG11 VAL 46 -8.002 11.775 3.101 378 HG12 VAL 46 HG12 VAL 46 -6.628 10.710 3.398 379 HG13 VAL 46 HG13 VAL 46 -7.348 10.793 1.790 380 HG21 VAL 46 HG21 VAL 46 -8.420 9.059 1.179 381 HG22 VAL 46 HG22 VAL 46 -9.509 8.113 2.194 382 HG23 VAL 46 HG23 VAL 46 -9.977 9.730 1.667 383 H ASN 47 H ASN 47 -8.307 8.750 6.486 384 HA ASN 47 HA ASN 47 -9.481 7.457 7.979 385 HB2 ASN 47 HB2 ASN 47 -11.953 7.209 7.111 386 HB3 ASN 47 HB3 ASN 47 -11.302 8.798 7.499 387 HD21 ASN 47 HD21 ASN 47 -12.193 6.610 4.942 388 HD22 ASN 47 HD22 ASN 47 -12.244 7.790 3.681 389 H ASP 48 H ASP 48 -7.979 5.632 7.243 390 HA ASP 48 HA ASP 48 -7.619 3.486 6.502 391 HB2 ASP 48 HB2 ASP 48 -9.350 3.545 8.591 392 HB3 ASP 48 HB3 ASP 48 -10.304 2.652 7.410 393 H ARG 49 H ARG 49 -8.661 5.112 4.439 394 HA ARG 49 HA ARG 49 -9.829 3.043 2.766 395 HB2 ARG 49 HB2 ARG 49 -11.350 5.295 3.798 396 HB3 ARG 49 HB3 ARG 49 -11.320 5.280 2.040 397 HG2 ARG 49 HG2 ARG 49 -12.059 2.867 3.669 398 HG3 ARG 49 HG3 ARG 49 -13.238 4.070 3.143 399 HD2 ARG 49 HD2 ARG 49 -11.658 3.366 0.898 400 HD3 ARG 49 HD3 ARG 49 -12.157 1.872 1.691 401 HE ARG 49 HE ARG 49 -13.839 3.741 0.289 402 HH11 ARG 49 HH11 ARG 49 -13.718 1.214 2.680 403 HH12 ARG 49 HH12 ARG 49 -15.386 0.781 2.495 404 HH21 ARG 49 HH21 ARG 49 -16.035 3.180 0.037 405 HH22 ARG 49 HH22 ARG 49 -16.702 1.899 0.991 406 H GLN 50 H GLN 50 -7.869 3.092 1.645 407 HA GLN 50 HA GLN 50 -7.098 5.601 0.359 408 HB2 GLN 50 HB2 GLN 50 -5.004 4.625 -0.073 409 HB3 GLN 50 HB3 GLN 50 -5.438 4.044 1.529 410 HG2 GLN 50 HG2 GLN 50 -5.068 1.987 0.816 411 HG3 GLN 50 HG3 GLN 50 -6.466 2.152 -0.245 412 HE21 GLN 50 HE21 GLN 50 -3.021 2.970 -0.095 413 HE22 GLN 50 HE22 GLN 50 -2.698 2.663 -1.764 414 H GLY 51 H GLY 51 -6.839 5.793 -1.895 415 HA2 GLY 51 HA2 GLY 51 -7.584 3.670 -3.674 416 HA3 GLY 51 HA3 GLY 51 -8.857 4.869 -3.499 417 H PHE 52 H PHE 52 -8.809 6.569 -4.815 418 HA PHE 52 HA PHE 52 -6.254 7.481 -5.903 419 HB2 PHE 52 HB2 PHE 52 -8.532 6.361 -7.485 420 HB3 PHE 52 HB3 PHE 52 -7.583 7.675 -8.172 421 HD1 PHE 52 HD1 PHE 52 -5.028 7.346 -8.240 422 HD2 PHE 52 HD2 PHE 52 -7.815 4.173 -7.704 423 HE1 PHE 52 HE1 PHE 52 -3.327 5.731 -8.983 424 HE2 PHE 52 HE2 PHE 52 -6.118 2.553 -8.445 425 HZ PHE 52 HZ PHE 52 -3.871 3.331 -9.086 426 H VAL 53 H VAL 53 -6.119 9.614 -5.738 427 HA VAL 53 HA VAL 53 -8.610 11.163 -5.495 428 HB VAL 53 HB VAL 53 -6.379 11.110 -3.829 429 HG11 VAL 53 HG11 VAL 53 -5.401 13.311 -3.957 430 HG12 VAL 53 HG12 VAL 53 -5.190 12.489 -5.503 431 HG13 VAL 53 HG13 VAL 53 -6.433 13.727 -5.325 432 HG21 VAL 53 HG21 VAL 53 -7.995 13.532 -3.623 433 HG22 VAL 53 HG22 VAL 53 -8.952 12.060 -3.795 434 HG23 VAL 53 HG23 VAL 53 -7.788 12.206 -2.478 435 HA PRO 54 HA PRO 54 -7.713 13.139 -9.334 436 HB2 PRO 54 HB2 PRO 54 -9.268 15.342 -9.019 437 HB3 PRO 54 HB3 PRO 54 -9.931 13.740 -9.362 438 HG2 PRO 54 HG2 PRO 54 -9.709 15.178 -6.745 439 HG3 PRO 54 HG3 PRO 54 -11.064 14.234 -7.392 440 HD2 PRO 54 HD2 PRO 54 -9.331 13.233 -5.569 441 HD3 PRO 54 HD3 PRO 54 -10.107 12.221 -6.805 442 H ALA 55 H ALA 55 -5.825 14.096 -9.736 443 HA ALA 55 HA ALA 55 -4.432 15.743 -7.934 444 HB1 ALA 55 HB1 ALA 55 -4.031 15.590 -10.918 445 HB2 ALA 55 HB2 ALA 55 -2.853 16.100 -9.709 446 HB3 ALA 55 HB3 ALA 55 -3.392 14.422 -9.761 447 H ALA 56 H ALA 56 -6.049 16.615 -10.995 448 HA ALA 56 HA ALA 56 -5.693 19.333 -10.956 449 HB1 ALA 56 HB1 ALA 56 -7.714 19.508 -12.313 450 HB2 ALA 56 HB2 ALA 56 -6.729 18.134 -12.815 451 HB3 ALA 56 HB3 ALA 56 -8.179 17.873 -11.844 452 H TYR 57 H TYR 57 -7.947 17.422 -9.071 453 HA TYR 57 HA TYR 57 -9.177 19.829 -7.963 454 HB2 TYR 57 HB2 TYR 57 -9.820 16.893 -7.719 455 HB3 TYR 57 HB3 TYR 57 -10.615 18.118 -6.737 456 HD1 TYR 57 HD1 TYR 57 -11.236 20.276 -8.456 457 HD2 TYR 57 HD2 TYR 57 -11.223 16.122 -9.374 458 HE1 TYR 57 HE1 TYR 57 -12.858 20.676 -10.261 459 HE2 TYR 57 HE2 TYR 57 -12.844 16.510 -11.183 460 HH TYR 57 HH TYR 57 -14.648 18.319 -11.678 461 H VAL 58 H VAL 58 -6.465 19.476 -7.348 462 HA VAL 58 HA VAL 58 -6.637 19.346 -4.446 463 HB VAL 58 HB VAL 58 -5.802 17.088 -5.679 464 HG11 VAL 58 HG11 VAL 58 -3.856 18.468 -6.599 465 HG12 VAL 58 HG12 VAL 58 -3.223 18.442 -4.954 466 HG13 VAL 58 HG13 VAL 58 -3.469 16.930 -5.828 467 HG21 VAL 58 HG21 VAL 58 -6.261 17.529 -3.250 468 HG22 VAL 58 HG22 VAL 58 -4.932 16.413 -3.566 469 HG23 VAL 58 HG23 VAL 58 -4.592 18.081 -3.105 470 H LYS 59 H LYS 59 -4.462 19.993 -3.462 471 HA LYS 59 HA LYS 59 -2.749 21.606 -5.134 472 HB2 LYS 59 HB2 LYS 59 -4.886 22.787 -3.486 473 HB3 LYS 59 HB3 LYS 59 -3.298 23.507 -3.256 474 HG2 LYS 59 HG2 LYS 59 -3.424 23.410 -5.958 475 HG3 LYS 59 HG3 LYS 59 -5.124 23.646 -5.548 476 HD2 LYS 59 HD2 LYS 59 -2.853 25.353 -4.530 477 HD3 LYS 59 HD3 LYS 59 -3.896 25.771 -5.891 478 HE2 LYS 59 HE2 LYS 59 -5.555 25.064 -3.701 479 HE3 LYS 59 HE3 LYS 59 -4.335 26.192 -3.111 480 HZ1 LYS 59 HZ1 LYS 59 -5.332 27.079 -5.597 481 HZ2 LYS 59 HZ2 LYS 59 -6.630 26.783 -4.552 482 HZ3 LYS 59 HZ3 LYS 59 -5.399 27.849 -4.092 483 H LYS 60 H LYS 60 -0.793 21.088 -4.435 484 HA LYS 60 HA LYS 60 -0.261 19.923 -1.922 485 HB2 LYS 60 HB2 LYS 60 1.083 19.936 -4.209 486 HB3 LYS 60 HB3 LYS 60 1.916 21.283 -3.444 487 HG2 LYS 60 HG2 LYS 60 1.665 18.497 -2.327 488 HG3 LYS 60 HG3 LYS 60 3.100 19.190 -3.087 489 HD2 LYS 60 HD2 LYS 60 2.610 21.056 -1.203 490 HD3 LYS 60 HD3 LYS 60 1.980 19.621 -0.390 491 HE2 LYS 60 HE2 LYS 60 4.617 19.378 -1.718 492 HE3 LYS 60 HE3 LYS 60 4.544 20.359 -0.255 493 HZ1 LYS 60 HZ1 LYS 60 5.074 18.073 0.269 494 HZ2 LYS 60 HZ2 LYS 60 3.557 18.471 0.903 495 HZ3 LYS 60 HZ3 LYS 60 3.668 17.531 -0.500 496 H LEU 61 H LEU 61 -0.994 21.252 -0.272 497 HA LEU 61 HA LEU 61 0.535 23.742 0.109 498 HB2 LEU 61 HB2 LEU 61 -2.208 23.195 1.217 499 HB3 LEU 61 HB3 LEU 61 -1.331 24.724 1.213 500 HG LEU 61 HG LEU 61 -2.111 23.437 -1.374 501 HD11 LEU 61 HD11 LEU 61 -4.039 25.378 -0.737 502 HD12 LEU 61 HD12 LEU 61 -4.277 23.644 -0.953 503 HD13 LEU 61 HD13 LEU 61 -3.944 24.294 0.652 504 HD21 LEU 61 HD21 LEU 61 -1.896 26.333 -0.570 505 HD22 LEU 61 HD22 LEU 61 -0.563 25.400 -1.250 506 HD23 LEU 61 HD23 LEU 61 -2.023 25.672 -2.200 507 H ASP 62 H ASP 62 1.862 21.708 0.998 508 HA ASP 62 HA ASP 62 1.702 21.957 3.880 509 HB2 ASP 62 HB2 ASP 62 0.252 19.963 3.145 510 HB3 ASP 62 HB3 ASP 62 1.772 19.174 2.733
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