NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
476559 | 2kor | 16527 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HT1 ALA 1 -13.738 4.402 4.428 2 H2 ALA 1 HT2 ALA 1 -12.788 3.240 3.716 3 H3 ALA 1 HT3 ALA 1 -14.487 3.043 3.736 4 HA ALA 1 HA ALA 1 -13.728 3.742 1.550 5 HB1 ALA 1 HB1 ALA 1 -15.126 5.728 1.303 6 HB2 ALA 1 HB2 ALA 1 -15.149 5.942 3.055 7 HB3 ALA 1 HB3 ALA 1 -15.918 4.528 2.327 8 H ALA 2 HN ALA 2 -12.479 5.123 0.276 9 HA ALA 2 HA ALA 2 -11.084 7.352 1.424 10 HB1 ALA 2 HB1 ALA 2 -8.845 6.445 1.022 11 HB2 ALA 2 HB2 ALA 2 -9.548 4.890 0.579 12 HB3 ALA 2 HB3 ALA 2 -9.707 5.491 2.230 13 H THR 3 HN THR 3 -9.388 8.069 -0.365 14 HA THR 3 HA THR 3 -10.576 7.571 -2.986 15 HB THR 3 HB THR 3 -9.713 9.906 -3.510 16 HG1 THR 3 HG1 THR 3 -9.561 11.184 -1.452 17 HG21 THR 3 HG21 THR 3 -11.809 9.689 -1.339 18 HG22 THR 3 HG22 THR 3 -12.100 9.489 -3.069 19 HG23 THR 3 HG23 THR 3 -11.602 11.058 -2.434 20 H GLN 4 HN GLN 4 -8.603 8.628 -4.644 21 HA GLN 4 HA GLN 4 -6.434 6.857 -4.411 22 HB2 GLN 4 HB2 GLN 4 -7.236 7.635 -6.538 23 HB3 GLN 4 HB1 GLN 4 -7.031 9.311 -6.075 24 HG2 GLN 4 HG2 GLN 4 -4.552 8.790 -5.904 25 HG3 GLN 4 HG1 GLN 4 -4.931 7.262 -6.698 26 HE21 GLN 4 HE21 GLN 4 -4.871 10.712 -7.016 27 HE22 GLN 4 HE22 GLN 4 -4.953 10.740 -8.746 28 H GLU 5 HN GLU 5 -7.161 10.172 -3.696 29 HA GLU 5 HA GLU 5 -4.586 10.993 -2.945 30 HB2 GLU 5 HB2 GLU 5 -7.327 12.098 -2.504 31 HB3 GLU 5 HB1 GLU 5 -5.973 12.789 -1.622 32 HG2 GLU 5 HG2 GLU 5 -6.563 13.993 -3.723 33 HG3 GLU 5 HG1 GLU 5 -4.892 13.454 -3.637 34 H GLU 6 HN GLU 6 -6.984 9.211 -1.251 35 HA GLU 6 HA GLU 6 -5.503 9.514 1.203 36 HB2 GLU 6 HB2 GLU 6 -7.944 7.929 0.510 37 HB3 GLU 6 HB1 GLU 6 -7.066 7.612 1.999 38 HG2 GLU 6 HG2 GLU 6 -8.283 10.228 1.178 39 HG3 GLU 6 HG1 GLU 6 -8.943 9.089 2.356 40 H ILE 7 HN ILE 7 -5.833 7.178 -1.350 41 HA ILE 7 HA ILE 7 -4.363 5.144 -0.024 42 HB ILE 7 HB ILE 7 -4.975 5.564 -2.971 43 HG12 ILE 7 HG12 ILE 7 -6.179 3.686 -0.929 44 HG13 ILE 7 HG11 ILE 7 -6.893 5.212 -1.425 45 HG21 ILE 7 HG21 ILE 7 -2.969 4.162 -2.722 46 HG22 ILE 7 HG22 ILE 7 -4.339 3.205 -3.283 47 HG23 ILE 7 HG23 ILE 7 -3.835 3.114 -1.596 48 HD11 ILE 7 HD11 ILE 7 -7.116 4.356 -3.697 49 HD12 ILE 7 HD12 ILE 7 -7.953 3.339 -2.524 50 HD13 ILE 7 HD13 ILE 7 -6.402 2.826 -3.184 51 H VAL 8 HN VAL 8 -3.435 7.196 -2.767 52 HA VAL 8 HA VAL 8 -0.721 6.491 -2.839 53 HB VAL 8 HB VAL 8 -2.101 9.044 -3.730 54 HG11 VAL 8 HG11 VAL 8 0.308 9.360 -3.631 55 HG12 VAL 8 HG12 VAL 8 -0.274 9.313 -5.296 56 HG13 VAL 8 HG13 VAL 8 0.548 7.906 -4.613 57 HG21 VAL 8 HG21 VAL 8 -2.177 7.975 -5.925 58 HG22 VAL 8 HG22 VAL 8 -3.083 7.072 -4.711 59 HG23 VAL 8 HG23 VAL 8 -1.492 6.507 -5.227 60 H ALA 9 HN ALA 9 -2.087 9.582 -1.710 61 HA ALA 9 HA ALA 9 0.266 10.487 -0.481 62 HB1 ALA 9 HB1 ALA 9 -1.126 12.238 0.481 63 HB2 ALA 9 HB2 ALA 9 -2.570 11.284 0.103 64 HB3 ALA 9 HB3 ALA 9 -1.587 11.935 -1.204 65 H GLY 10 HN GLY 10 -2.494 8.717 0.809 66 HA2 GLY 10 HA2 GLY 10 -1.822 8.961 3.562 67 HA3 GLY 10 HA1 GLY 10 -2.940 7.816 2.852 68 H LEU 11 HN LEU 11 -1.210 6.391 1.140 69 HA LEU 11 HA LEU 11 -0.088 4.559 2.852 70 HB2 LEU 11 HB2 LEU 11 -0.001 5.056 -0.015 71 HB3 LEU 11 HB1 LEU 11 1.323 4.089 0.594 72 HG LEU 11 HG LEU 11 -1.628 3.509 0.959 73 HD11 LEU 11 HD11 LEU 11 -1.242 1.640 -0.555 74 HD12 LEU 11 HD12 LEU 11 0.430 2.163 -0.775 75 HD13 LEU 11 HD13 LEU 11 -0.895 3.180 -1.343 76 HD21 LEU 11 HD21 LEU 11 -0.869 1.373 1.897 77 HD22 LEU 11 HD22 LEU 11 -0.268 2.749 2.832 78 HD23 LEU 11 HD23 LEU 11 0.805 1.905 1.732 79 H ALA 12 HN ALA 12 1.347 7.341 1.384 80 HA ALA 12 HA ALA 12 3.991 6.578 1.989 81 HB1 ALA 12 HB1 ALA 12 3.450 8.251 0.347 82 HB2 ALA 12 HB2 ALA 12 4.608 8.805 1.563 83 HB3 ALA 12 HB3 ALA 12 2.919 9.346 1.638 84 H GLU 13 HN GLU 13 1.501 8.079 3.845 85 HA GLU 13 HA GLU 13 3.106 8.958 6.015 86 HB2 GLU 13 HB2 GLU 13 0.207 8.092 5.935 87 HB3 GLU 13 HB1 GLU 13 0.976 8.857 7.314 88 HG2 GLU 13 HG2 GLU 13 1.294 10.887 6.072 89 HG3 GLU 13 HG1 GLU 13 0.703 10.120 4.596 90 H ILE 14 HN ILE 14 1.176 6.071 5.442 91 HA ILE 14 HA ILE 14 1.937 4.635 7.752 92 HB ILE 14 HB ILE 14 0.794 3.735 5.094 93 HG12 ILE 14 HG12 ILE 14 -1.165 3.044 6.515 94 HG13 ILE 14 HG11 ILE 14 -0.354 3.743 7.901 95 HG21 ILE 14 HG21 ILE 14 2.202 1.912 5.794 96 HG22 ILE 14 HG22 ILE 14 0.504 1.468 5.971 97 HG23 ILE 14 HG23 ILE 14 1.454 1.912 7.391 98 HD11 ILE 14 HD11 ILE 14 -0.499 5.945 6.853 99 HD12 ILE 14 HD12 ILE 14 -2.085 5.199 7.046 100 HD13 ILE 14 HD13 ILE 14 -1.309 5.224 5.463 101 H VAL 15 HN VAL 15 3.218 4.550 4.452 102 HA VAL 15 HA VAL 15 5.192 2.647 4.869 103 HB VAL 15 HB VAL 15 4.955 4.849 2.802 104 HG11 VAL 15 HG11 VAL 15 6.741 3.750 1.552 105 HG12 VAL 15 HG12 VAL 15 7.026 2.659 2.919 106 HG13 VAL 15 HG13 VAL 15 7.307 4.395 3.090 107 HG21 VAL 15 HG21 VAL 15 3.337 3.040 2.664 108 HG22 VAL 15 HG22 VAL 15 4.643 1.855 2.654 109 HG23 VAL 15 HG23 VAL 15 4.459 2.978 1.305 110 H ASN 16 HN ASN 16 5.120 6.014 5.585 111 HA ASN 16 HA ASN 16 7.931 6.304 6.036 112 HB2 ASN 16 HB2 ASN 16 6.262 8.182 5.573 113 HB3 ASN 16 HB1 ASN 16 5.776 8.023 7.258 114 HD21 ASN 16 HD21 ASN 16 8.249 8.926 5.089 115 HD22 ASN 16 HD22 ASN 16 9.234 9.824 6.174 116 H GLU 17 HN GLU 17 5.234 5.218 7.887 117 HA GLU 17 HA GLU 17 6.546 5.334 10.442 118 HB2 GLU 17 HB2 GLU 17 4.122 3.728 9.607 119 HB3 GLU 17 HB1 GLU 17 4.636 4.059 11.252 120 HG2 GLU 17 HG2 GLU 17 3.785 6.093 9.248 121 HG3 GLU 17 HG1 GLU 17 2.735 5.445 10.514 122 H ILE 18 HN ILE 18 5.538 2.784 8.233 123 HA ILE 18 HA ILE 18 6.624 0.572 9.568 124 HB ILE 18 HB ILE 18 6.216 0.901 6.589 125 HG12 ILE 18 HG12 ILE 18 4.149 1.382 7.806 126 HG13 ILE 18 HG11 ILE 18 4.029 -0.152 6.960 127 HG21 ILE 18 HG21 ILE 18 7.605 -1.029 7.096 128 HG22 ILE 18 HG22 ILE 18 6.009 -1.551 6.550 129 HG23 ILE 18 HG23 ILE 18 6.414 -1.607 8.263 130 HD11 ILE 18 HD11 ILE 18 4.544 0.203 9.905 131 HD12 ILE 18 HD12 ILE 18 4.406 -1.340 9.064 132 HD13 ILE 18 HD13 ILE 18 3.010 -0.262 9.166 133 H ALA 19 HN ALA 19 7.981 2.456 6.862 134 HA ALA 19 HA ALA 19 10.567 1.158 7.442 135 HB1 ALA 19 HB1 ALA 19 11.168 1.396 5.096 136 HB2 ALA 19 HB2 ALA 19 9.622 2.180 4.767 137 HB3 ALA 19 HB3 ALA 19 9.663 0.487 5.261 138 H GLY 20 HN GLY 20 9.133 4.106 6.147 139 HA2 GLY 20 HA2 GLY 20 9.883 6.209 7.222 140 HA3 GLY 20 HA1 GLY 20 11.506 5.531 7.199 141 H ILE 21 HN ILE 21 9.270 5.196 4.563 142 HA ILE 21 HA ILE 21 11.091 6.582 2.793 143 HB ILE 21 HB ILE 21 8.446 5.167 2.294 144 HG12 ILE 21 HG12 ILE 21 10.155 3.598 3.025 145 HG13 ILE 21 HG11 ILE 21 9.785 3.345 1.325 146 HG21 ILE 21 HG21 ILE 21 10.424 6.165 0.264 147 HG22 ILE 21 HG22 ILE 21 8.812 6.814 0.569 148 HG23 ILE 21 HG23 ILE 21 8.998 5.185 -0.082 149 HD11 ILE 21 HD11 ILE 21 12.193 4.783 2.422 150 HD12 ILE 21 HD12 ILE 21 11.831 4.538 0.713 151 HD13 ILE 21 HD13 ILE 21 12.165 3.151 1.751 152 HA PRO 22 HA PRO 22 9.404 10.678 3.225 153 HB2 PRO 22 HB2 PRO 22 9.370 10.480 0.237 154 HB3 PRO 22 HB1 PRO 22 9.882 11.825 1.268 155 HG2 PRO 22 HG2 PRO 22 11.679 10.182 0.211 156 HG3 PRO 22 HG1 PRO 22 11.869 10.801 1.861 157 HD2 PRO 22 HD2 PRO 22 11.168 8.077 0.938 158 HD3 PRO 22 HD1 PRO 22 11.922 8.594 2.457 159 H VAL 23 HN VAL 23 7.536 11.681 3.305 160 HA VAL 23 HA VAL 23 5.162 10.107 3.098 161 HB VAL 23 HB VAL 23 4.014 12.065 4.093 162 HG11 VAL 23 HG11 VAL 23 5.101 10.421 5.525 163 HG12 VAL 23 HG12 VAL 23 5.222 12.040 6.214 164 HG13 VAL 23 HG13 VAL 23 6.616 11.316 5.412 165 HG21 VAL 23 HG21 VAL 23 6.734 13.315 3.853 166 HG22 VAL 23 HG22 VAL 23 5.367 14.032 4.724 167 HG23 VAL 23 HG23 VAL 23 5.297 13.798 2.966 168 H GLU 24 HN GLU 24 6.462 11.202 0.593 169 HA GLU 24 HA GLU 24 3.933 11.754 -0.792 170 HB2 GLU 24 HB2 GLU 24 4.908 13.575 -2.055 171 HB3 GLU 24 HB1 GLU 24 5.001 13.946 -0.336 172 HG2 GLU 24 HG2 GLU 24 7.328 13.349 -0.275 173 HG3 GLU 24 HG1 GLU 24 7.268 12.787 -1.941 174 H ASP 25 HN ASP 25 6.447 9.770 -0.457 175 HA ASP 25 HA ASP 25 7.402 9.884 -3.198 176 HB2 ASP 25 HB2 ASP 25 9.015 10.020 -1.437 177 HB3 ASP 25 HB1 ASP 25 8.494 8.505 -0.741 178 H VAL 26 HN VAL 26 4.998 8.378 -1.651 179 HA VAL 26 HA VAL 26 5.392 5.827 -2.972 180 HB VAL 26 HB VAL 26 3.392 6.652 -0.808 181 HG11 VAL 26 HG11 VAL 26 4.020 3.924 -1.920 182 HG12 VAL 26 HG12 VAL 26 2.545 4.842 -2.220 183 HG13 VAL 26 HG13 VAL 26 2.916 4.273 -0.591 184 HG21 VAL 26 HG21 VAL 26 5.670 6.608 0.033 185 HG22 VAL 26 HG22 VAL 26 5.891 4.981 -0.609 186 HG23 VAL 26 HG23 VAL 26 4.734 5.266 0.690 187 H LYS 27 HN LYS 27 5.127 7.001 -4.862 188 HA LYS 27 HA LYS 27 2.578 8.243 -5.506 189 HB2 LYS 27 HB2 LYS 27 5.142 7.946 -7.070 190 HB3 LYS 27 HB1 LYS 27 3.686 8.764 -7.609 191 HG2 LYS 27 HG2 LYS 27 5.115 9.596 -5.127 192 HG3 LYS 27 HG1 LYS 27 5.561 10.201 -6.723 193 HD2 LYS 27 HD2 LYS 27 3.238 10.985 -7.033 194 HD3 LYS 27 HD1 LYS 27 2.866 10.456 -5.391 195 HE2 LYS 27 HE2 LYS 27 3.338 12.862 -5.506 196 HE3 LYS 27 HE1 LYS 27 4.500 12.005 -4.495 197 HZ1 LYS 27 HZ1 LYS 27 4.970 12.923 -7.299 198 HZ2 LYS 27 HZ2 LYS 27 6.053 12.024 -6.413 199 HZ3 LYS 27 HZ3 LYS 27 5.670 13.562 -5.904 200 H LEU 28 HN LEU 28 1.594 7.720 -7.610 201 HA LEU 28 HA LEU 28 0.683 5.141 -7.801 202 HB2 LEU 28 HB2 LEU 28 0.665 7.385 -9.792 203 HB3 LEU 28 HB1 LEU 28 -0.094 5.838 -10.137 204 HG LEU 28 HG LEU 28 -0.837 7.483 -7.707 205 HD11 LEU 28 HD11 LEU 28 -2.794 8.208 -8.949 206 HD12 LEU 28 HD12 LEU 28 -2.175 7.430 -10.410 207 HD13 LEU 28 HD13 LEU 28 -1.317 8.813 -9.707 208 HD21 LEU 28 HD21 LEU 28 -2.251 5.297 -9.204 209 HD22 LEU 28 HD22 LEU 28 -2.822 6.106 -7.743 210 HD23 LEU 28 HD23 LEU 28 -1.381 5.091 -7.691 211 H ASP 29 HN ASP 29 3.469 6.477 -9.473 212 HA ASP 29 HA ASP 29 3.773 3.976 -10.971 213 HB2 ASP 29 HB2 ASP 29 5.443 5.059 -12.305 214 HB3 ASP 29 HB1 ASP 29 4.109 6.184 -12.139 215 H LYS 30 HN LYS 30 4.338 4.479 -7.955 216 HA LYS 30 HA LYS 30 7.132 3.626 -7.943 217 HB2 LYS 30 HB2 LYS 30 5.435 4.884 -5.771 218 HB3 LYS 30 HB1 LYS 30 7.093 4.344 -5.562 219 HG2 LYS 30 HG2 LYS 30 6.420 6.357 -7.667 220 HG3 LYS 30 HG1 LYS 30 6.594 6.853 -5.989 221 HD2 LYS 30 HD2 LYS 30 8.713 5.348 -7.533 222 HD3 LYS 30 HD1 LYS 30 8.662 7.110 -7.386 223 HE2 LYS 30 HE2 LYS 30 8.735 6.856 -4.919 224 HE3 LYS 30 HE1 LYS 30 8.898 5.119 -5.131 225 HZ1 LYS 30 HZ1 LYS 30 10.968 5.545 -6.335 226 HZ2 LYS 30 HZ2 LYS 30 11.013 6.077 -4.739 227 HZ3 LYS 30 HZ3 LYS 30 10.834 7.203 -5.995 228 H SER 31 HN SER 31 7.181 1.536 -7.979 229 HA SER 31 HA SER 31 5.205 -0.194 -6.932 230 HB2 SER 31 HB2 SER 31 6.548 -0.769 -8.889 231 HB3 SER 31 HB1 SER 31 8.014 -0.675 -7.924 232 HG SER 31 HG SER 31 7.091 -2.807 -8.336 233 H PHE 32 HN PHE 32 5.073 -1.079 -5.023 234 HA PHE 32 HA PHE 32 6.389 -0.170 -2.729 235 HB2 PHE 32 HB2 PHE 32 4.980 -2.805 -3.156 236 HB3 PHE 32 HB1 PHE 32 5.483 -2.189 -1.596 237 HD1 PHE 32 HD1 PHE 32 4.409 -0.062 -0.760 238 HD2 PHE 32 HD2 PHE 32 2.951 -2.246 -4.099 239 HE1 PHE 32 HE1 PHE 32 2.208 0.996 -0.487 240 HE2 PHE 32 HE2 PHE 32 0.755 -1.188 -3.840 241 HZ PHE 32 HZ PHE 32 0.376 0.428 -2.036 242 H THR 33 HN THR 33 6.781 -3.241 -4.420 243 HA THR 33 HA THR 33 9.052 -3.775 -2.732 244 HB THR 33 HB THR 33 7.287 -5.491 -2.879 245 HG1 THR 33 HG1 THR 33 9.753 -5.912 -2.838 246 HG21 THR 33 HG21 THR 33 6.589 -5.112 -5.160 247 HG22 THR 33 HG22 THR 33 7.030 -6.816 -4.943 248 HG23 THR 33 HG23 THR 33 8.143 -5.696 -5.750 249 H ASP 34 HN ASP 34 9.154 -1.881 -5.047 250 HA ASP 34 HA ASP 34 11.539 -3.084 -6.229 251 HB2 ASP 34 HB2 ASP 34 9.898 -3.486 -7.952 252 HB3 ASP 34 HB1 ASP 34 9.386 -1.802 -7.918 253 H ASP 35 HN ASP 35 9.660 -0.032 -6.300 254 HA ASP 35 HA ASP 35 12.224 1.316 -6.657 255 HB2 ASP 35 HB2 ASP 35 9.981 1.658 -8.025 256 HB3 ASP 35 HB1 ASP 35 9.623 2.752 -6.695 257 H LEU 36 HN LEU 36 9.481 1.032 -4.534 258 HA LEU 36 HA LEU 36 10.245 3.175 -2.802 259 HB2 LEU 36 HB2 LEU 36 8.349 0.869 -2.367 260 HB3 LEU 36 HB1 LEU 36 8.542 2.225 -1.277 261 HG LEU 36 HG LEU 36 7.472 2.333 -4.089 262 HD11 LEU 36 HD11 LEU 36 6.140 2.714 -1.414 263 HD12 LEU 36 HD12 LEU 36 5.915 1.342 -2.500 264 HD13 LEU 36 HD13 LEU 36 5.382 2.951 -2.986 265 HD21 LEU 36 HD21 LEU 36 7.853 4.503 -2.043 266 HD22 LEU 36 HD22 LEU 36 7.015 4.660 -3.599 267 HD23 LEU 36 HD23 LEU 36 8.737 4.285 -3.557 268 H ASP 37 HN ASP 37 10.080 -0.323 -2.411 269 HA ASP 37 HA ASP 37 11.074 -1.797 -1.118 270 HB2 ASP 37 HB2 ASP 37 13.233 -1.145 -2.088 271 HB3 ASP 37 HB1 ASP 37 13.360 0.203 -0.962 272 H VAL 38 HN VAL 38 9.979 -2.117 0.567 273 HA VAL 38 HA VAL 38 10.085 -0.142 2.703 274 HB VAL 38 HB VAL 38 8.045 0.225 1.407 275 HG11 VAL 38 HG11 VAL 38 6.196 -1.365 1.311 276 HG12 VAL 38 HG12 VAL 38 7.253 -2.599 1.997 277 HG13 VAL 38 HG13 VAL 38 7.629 -1.894 0.427 278 HG21 VAL 38 HG21 VAL 38 7.460 -0.936 4.127 279 HG22 VAL 38 HG22 VAL 38 6.370 0.114 3.218 280 HG23 VAL 38 HG23 VAL 38 7.930 0.726 3.769 281 H ASP 39 HN ASP 39 11.722 -1.681 3.307 282 HA ASP 39 HA ASP 39 12.588 -3.170 4.700 283 HB2 ASP 39 HB2 ASP 39 11.041 -2.531 6.420 284 HB3 ASP 39 HB1 ASP 39 9.762 -3.517 5.710 285 H SER 40 HN SER 40 9.778 -4.391 3.079 286 HA SER 40 HA SER 40 9.594 -5.999 1.528 287 HB2 SER 40 HB2 SER 40 11.968 -5.953 0.965 288 HB3 SER 40 HB1 SER 40 12.378 -6.904 2.381 289 H LEU 41 HN LEU 41 10.735 -7.239 4.685 290 HA LEU 41 HA LEU 41 8.784 -9.332 4.277 291 HB2 LEU 41 HB2 LEU 41 9.550 -10.301 6.428 292 HB3 LEU 41 HB1 LEU 41 10.827 -10.126 5.252 293 HG LEU 41 HG LEU 41 11.483 -8.016 6.546 294 HD11 LEU 41 HD11 LEU 41 9.737 -9.303 8.641 295 HD12 LEU 41 HD12 LEU 41 9.451 -7.767 7.825 296 HD13 LEU 41 HD13 LEU 41 10.838 -7.938 8.902 297 HD21 LEU 41 HD21 LEU 41 12.785 -10.055 6.580 298 HD22 LEU 41 HD22 LEU 41 11.746 -10.721 7.839 299 HD23 LEU 41 HD23 LEU 41 12.761 -9.319 8.182 300 H SER 42 HN SER 42 9.152 -6.452 6.103 301 HA SER 42 HA SER 42 6.839 -6.809 7.701 302 HB2 SER 42 HB2 SER 42 8.337 -4.249 7.145 303 HB3 SER 42 HB1 SER 42 7.219 -4.553 8.477 304 HG SER 42 HG SER 42 9.732 -5.697 7.966 305 H MET 43 HN MET 43 7.088 -6.149 4.463 306 HA MET 43 HA MET 43 5.483 -4.032 4.101 307 HB2 MET 43 HB2 MET 43 4.776 -4.975 1.783 308 HB3 MET 43 HB1 MET 43 6.440 -4.724 2.029 309 HG2 MET 43 HG2 MET 43 5.964 -6.773 0.838 310 HG3 MET 43 HG1 MET 43 6.796 -7.094 2.350 311 HE1 MET 43 HE1 MET 43 2.255 -7.847 1.809 312 HE2 MET 43 HE2 MET 43 3.245 -7.251 0.494 313 HE3 MET 43 HE3 MET 43 2.966 -6.236 1.922 314 H VAL 44 HN VAL 44 4.303 -7.138 5.101 315 HA VAL 44 HA VAL 44 1.594 -6.734 4.447 316 HB VAL 44 HB VAL 44 2.654 -8.470 6.716 317 HG11 VAL 44 HG11 VAL 44 0.586 -9.759 6.454 318 HG12 VAL 44 HG12 VAL 44 0.033 -8.611 5.237 319 HG13 VAL 44 HG13 VAL 44 0.258 -8.085 6.904 320 HG21 VAL 44 HG21 VAL 44 3.678 -9.071 4.612 321 HG22 VAL 44 HG22 VAL 44 2.080 -9.214 3.852 322 HG23 VAL 44 HG23 VAL 44 2.553 -10.327 5.138 323 H GLU 45 HN GLU 45 3.583 -5.565 6.972 324 HA GLU 45 HA GLU 45 1.493 -4.885 8.786 325 HB2 GLU 45 HB2 GLU 45 4.388 -4.010 8.667 326 HB3 GLU 45 HB1 GLU 45 3.300 -3.746 10.032 327 HG2 GLU 45 HG2 GLU 45 3.039 -6.164 10.298 328 HG3 GLU 45 HG1 GLU 45 4.066 -6.421 8.913 329 H VAL 46 HN VAL 46 3.185 -3.342 6.155 330 HA VAL 46 HA VAL 46 2.156 -0.714 6.376 331 HB VAL 46 HB VAL 46 2.476 -2.248 3.772 332 HG11 VAL 46 HG11 VAL 46 2.935 -0.035 2.773 333 HG12 VAL 46 HG12 VAL 46 2.650 0.721 4.335 334 HG13 VAL 46 HG13 VAL 46 1.340 -0.104 3.512 335 HG21 VAL 46 HG21 VAL 46 4.781 -1.397 3.660 336 HG22 VAL 46 HG22 VAL 46 4.530 -2.475 5.032 337 HG23 VAL 46 HG23 VAL 46 4.597 -0.731 5.283 338 H VAL 47 HN VAL 47 0.934 -3.618 4.777 339 HA VAL 47 HA VAL 47 -1.510 -2.752 3.810 340 HB VAL 47 HB VAL 47 -1.054 -5.445 5.131 341 HG11 VAL 47 HG11 VAL 47 -3.372 -5.020 4.585 342 HG12 VAL 47 HG12 VAL 47 -2.712 -6.265 3.523 343 HG13 VAL 47 HG13 VAL 47 -2.932 -4.619 2.924 344 HG21 VAL 47 HG21 VAL 47 0.744 -5.045 3.554 345 HG22 VAL 47 HG22 VAL 47 -0.427 -4.625 2.302 346 HG23 VAL 47 HG23 VAL 47 -0.355 -6.274 2.922 347 H VAL 48 HN VAL 48 -0.912 -4.299 6.950 348 HA VAL 48 HA VAL 48 -3.355 -4.142 8.187 349 HB VAL 48 HB VAL 48 -0.634 -3.665 9.456 350 HG11 VAL 48 HG11 VAL 48 -1.648 -4.415 11.556 351 HG12 VAL 48 HG12 VAL 48 -3.226 -4.489 10.773 352 HG13 VAL 48 HG13 VAL 48 -2.411 -2.938 10.969 353 HG21 VAL 48 HG21 VAL 48 -2.263 -6.181 9.133 354 HG22 VAL 48 HG22 VAL 48 -0.730 -6.051 9.999 355 HG23 VAL 48 HG23 VAL 48 -0.786 -5.772 8.259 356 H ALA 49 HN ALA 49 -0.895 -1.574 8.291 357 HA ALA 49 HA ALA 49 -2.540 0.226 9.784 358 HB1 ALA 49 HB1 ALA 49 -0.749 1.844 9.485 359 HB2 ALA 49 HB2 ALA 49 0.003 0.809 8.271 360 HB3 ALA 49 HB3 ALA 49 -0.093 0.273 9.951 361 H ALA 50 HN ALA 50 -2.013 -0.353 6.417 362 HA ALA 50 HA ALA 50 -3.267 2.034 5.485 363 HB1 ALA 50 HB1 ALA 50 -3.311 0.888 3.321 364 HB2 ALA 50 HB2 ALA 50 -2.839 -0.622 4.102 365 HB3 ALA 50 HB3 ALA 50 -1.724 0.746 4.076 366 H GLU 51 HN GLU 51 -4.271 -1.267 6.176 367 HA GLU 51 HA GLU 51 -6.939 -1.059 5.383 368 HB2 GLU 51 HB2 GLU 51 -5.735 -2.790 7.547 369 HB3 GLU 51 HB1 GLU 51 -7.361 -2.975 6.911 370 HG2 GLU 51 HG2 GLU 51 -6.415 -3.440 4.694 371 HG3 GLU 51 HG1 GLU 51 -4.795 -3.315 5.377 372 H GLU 52 HN GLU 52 -5.274 -0.268 8.265 373 HA GLU 52 HA GLU 52 -7.388 0.455 9.944 374 HB2 GLU 52 HB2 GLU 52 -5.146 0.123 10.755 375 HB3 GLU 52 HB1 GLU 52 -4.533 1.407 9.733 376 HG2 GLU 52 HG2 GLU 52 -5.842 3.021 11.063 377 HG3 GLU 52 HG1 GLU 52 -6.332 1.696 12.120 378 H ARG 53 HN ARG 53 -5.546 2.210 7.527 379 HA ARG 53 HA ARG 53 -6.590 4.808 8.063 380 HB2 ARG 53 HB2 ARG 53 -4.389 4.598 7.192 381 HB3 ARG 53 HB1 ARG 53 -4.949 3.662 5.826 382 HG2 ARG 53 HG2 ARG 53 -4.332 5.881 5.122 383 HG3 ARG 53 HG1 ARG 53 -6.066 5.660 4.934 384 HD2 ARG 53 HD2 ARG 53 -6.499 6.969 6.892 385 HD3 ARG 53 HD1 ARG 53 -4.777 7.039 7.286 386 HE ARG 53 HE ARG 53 -6.098 8.424 5.041 387 HH11 ARG 53 HH11 ARG 53 -3.404 8.107 7.335 388 HH12 ARG 53 HH12 ARG 53 -2.548 9.436 6.691 389 HH21 ARG 53 HH21 ARG 53 -4.877 10.234 4.153 390 HH22 ARG 53 HH22 ARG 53 -3.339 10.594 4.868 391 H PHE 54 HN PHE 54 -7.146 2.575 5.310 392 HA PHE 54 HA PHE 54 -9.143 4.470 4.214 393 HB2 PHE 54 HB2 PHE 54 -8.568 1.793 3.003 394 HB3 PHE 54 HB1 PHE 54 -9.055 3.283 2.219 395 HD1 PHE 54 HD1 PHE 54 -7.142 5.231 2.820 396 HD2 PHE 54 HD2 PHE 54 -6.594 1.052 2.359 397 HE1 PHE 54 HE1 PHE 54 -4.800 5.613 2.211 398 HE2 PHE 54 HE2 PHE 54 -4.229 1.437 1.749 399 HZ PHE 54 HZ PHE 54 -3.343 3.721 1.684 400 H ASP 55 HN ASP 55 -9.055 1.925 6.258 401 HA ASP 55 HA ASP 55 -10.194 0.122 6.798 402 HB2 ASP 55 HB2 ASP 55 -11.933 1.802 7.506 403 HB3 ASP 55 HB1 ASP 55 -12.709 1.590 5.931 404 H VAL 56 HN VAL 56 -9.066 -0.762 5.145 405 HA VAL 56 HA VAL 56 -10.782 -1.676 2.981 406 HB VAL 56 HB VAL 56 -8.801 -0.272 2.234 407 HG11 VAL 56 HG11 VAL 56 -7.125 -0.871 3.802 408 HG12 VAL 56 HG12 VAL 56 -6.575 -1.306 2.173 409 HG13 VAL 56 HG13 VAL 56 -7.165 -2.551 3.262 410 HG21 VAL 56 HG21 VAL 56 -9.807 -1.796 0.670 411 HG22 VAL 56 HG22 VAL 56 -8.796 -3.114 1.268 412 HG23 VAL 56 HG23 VAL 56 -8.061 -1.748 0.428 413 H LYS 57 HN LYS 57 -10.251 -3.909 2.338 414 HA LYS 57 HA LYS 57 -9.289 -5.441 4.648 415 HB2 LYS 57 HB2 LYS 57 -11.601 -6.239 2.844 416 HB3 LYS 57 HB1 LYS 57 -10.952 -7.192 4.157 417 HG2 LYS 57 HG2 LYS 57 -12.946 -6.313 5.006 418 HG3 LYS 57 HG1 LYS 57 -11.706 -5.263 5.684 419 HD2 LYS 57 HD2 LYS 57 -12.207 -3.541 4.077 420 HD3 LYS 57 HD1 LYS 57 -13.287 -4.614 3.187 421 HE2 LYS 57 HE2 LYS 57 -14.630 -3.127 4.499 422 HE3 LYS 57 HE1 LYS 57 -14.732 -4.733 5.212 423 HZ1 LYS 57 HZ1 LYS 57 -12.879 -3.831 6.810 424 HZ2 LYS 57 HZ2 LYS 57 -14.469 -3.389 6.991 425 HZ3 LYS 57 HZ3 LYS 57 -13.446 -2.301 6.291 426 H ILE 58 HN ILE 58 -7.311 -6.019 3.873 427 HA ILE 58 HA ILE 58 -7.372 -7.529 1.367 428 HB ILE 58 HB ILE 58 -4.994 -5.746 1.980 429 HG12 ILE 58 HG12 ILE 58 -7.299 -5.070 0.124 430 HG13 ILE 58 HG11 ILE 58 -7.002 -4.292 1.677 431 HG21 ILE 58 HG21 ILE 58 -6.084 -7.010 -0.522 432 HG22 ILE 58 HG22 ILE 58 -4.741 -7.662 0.430 433 HG23 ILE 58 HG23 ILE 58 -4.571 -6.110 -0.419 434 HD11 ILE 58 HD11 ILE 58 -5.168 -4.228 -0.714 435 HD12 ILE 58 HD12 ILE 58 -4.868 -3.446 0.839 436 HD13 ILE 58 HD13 ILE 58 -6.219 -2.920 -0.166 437 HA PRO 59 HA PRO 59 -5.402 -10.149 4.527 438 HB2 PRO 59 HB2 PRO 59 -5.873 -12.453 3.140 439 HB3 PRO 59 HB1 PRO 59 -7.068 -11.703 4.203 440 HG2 PRO 59 HG2 PRO 59 -6.804 -11.517 1.226 441 HG3 PRO 59 HG1 PRO 59 -8.263 -11.777 2.203 442 HD2 PRO 59 HD2 PRO 59 -7.658 -9.373 1.197 443 HD3 PRO 59 HD1 PRO 59 -8.410 -9.549 2.798 444 H ASP 60 HN ASP 60 -3.512 -11.498 4.427 445 HA ASP 60 HA ASP 60 -1.450 -10.631 2.788 446 HB2 ASP 60 HB2 ASP 60 -0.173 -12.631 3.599 447 HB3 ASP 60 HB1 ASP 60 -0.886 -11.648 4.872 448 H ASP 61 HN ASP 61 -3.565 -13.378 2.307 449 HA ASP 61 HA ASP 61 -2.141 -14.506 0.118 450 HB2 ASP 61 HB2 ASP 61 -3.689 -15.874 1.367 451 HB3 ASP 61 HB1 ASP 61 -5.018 -14.784 0.998 452 H ASP 62 HN ASP 62 -4.252 -11.857 0.404 453 HA ASP 62 HA ASP 62 -4.963 -11.849 -2.402 454 HB2 ASP 62 HB2 ASP 62 -6.574 -11.202 -0.531 455 HB3 ASP 62 HB1 ASP 62 -5.582 -9.759 -0.338 456 H VAL 63 HN VAL 63 -3.157 -9.825 -0.079 457 HA VAL 63 HA VAL 63 -2.458 -7.845 -1.937 458 HB VAL 63 HB VAL 63 -2.543 -7.260 0.394 459 HG11 VAL 63 HG11 VAL 63 -1.901 -9.343 1.409 460 HG12 VAL 63 HG12 VAL 63 -0.917 -8.024 2.044 461 HG13 VAL 63 HG13 VAL 63 -0.243 -9.131 0.852 462 HG21 VAL 63 HG21 VAL 63 -1.039 -5.910 -0.900 463 HG22 VAL 63 HG22 VAL 63 0.287 -7.032 -0.599 464 HG23 VAL 63 HG23 VAL 63 -0.400 -6.101 0.734 465 H LYS 64 HN LYS 64 -1.025 -10.869 -1.390 466 HA LYS 64 HA LYS 64 1.615 -10.372 -2.066 467 HB2 LYS 64 HB2 LYS 64 1.781 -12.818 -2.604 468 HB3 LYS 64 HB1 LYS 64 1.144 -12.425 -1.018 469 HG2 LYS 64 HG2 LYS 64 -1.155 -12.776 -1.980 470 HG3 LYS 64 HG1 LYS 64 -0.362 -13.404 -3.423 471 HD2 LYS 64 HD2 LYS 64 0.146 -14.495 -0.657 472 HD3 LYS 64 HD1 LYS 64 -1.110 -15.126 -1.716 473 HE2 LYS 64 HE2 LYS 64 1.812 -14.999 -2.451 474 HE3 LYS 64 HE1 LYS 64 1.048 -16.408 -1.718 475 HZ1 LYS 64 HZ1 LYS 64 -0.499 -16.437 -3.644 476 HZ2 LYS 64 HZ2 LYS 64 1.107 -16.727 -4.041 477 HZ3 LYS 64 HZ3 LYS 64 0.434 -15.222 -4.385 478 H ASN 65 HN ASN 65 -0.815 -9.760 -4.181 479 HA ASN 65 HA ASN 65 0.800 -10.509 -6.497 480 HB2 ASN 65 HB2 ASN 65 -2.186 -10.115 -6.316 481 HB3 ASN 65 HB1 ASN 65 -1.285 -10.459 -7.778 482 HD21 ASN 65 HD21 ASN 65 -2.648 -11.727 -4.881 483 HD22 ASN 65 HD22 ASN 65 -2.421 -13.390 -5.223 484 H LEU 66 HN LEU 66 0.484 -7.891 -4.645 485 HA LEU 66 HA LEU 66 -0.420 -5.996 -6.634 486 HB2 LEU 66 HB2 LEU 66 0.791 -5.536 -3.912 487 HB3 LEU 66 HB1 LEU 66 0.203 -4.258 -4.951 488 HG LEU 66 HG LEU 66 -1.428 -6.421 -3.630 489 HD11 LEU 66 HD11 LEU 66 -0.689 -4.608 -2.178 490 HD12 LEU 66 HD12 LEU 66 -2.436 -4.580 -2.432 491 HD13 LEU 66 HD13 LEU 66 -1.405 -3.429 -3.281 492 HD21 LEU 66 HD21 LEU 66 -2.344 -4.214 -5.474 493 HD22 LEU 66 HD22 LEU 66 -3.372 -5.344 -4.581 494 HD23 LEU 66 HD23 LEU 66 -2.315 -5.940 -5.852 495 H LYS 67 HN LYS 67 1.111 -3.855 -6.668 496 HA LYS 67 HA LYS 67 3.872 -4.576 -7.130 497 HB2 LYS 67 HB2 LYS 67 2.836 -5.075 -9.304 498 HB3 LYS 67 HB1 LYS 67 2.125 -3.468 -9.352 499 HG2 LYS 67 HG2 LYS 67 4.515 -2.597 -9.209 500 HG3 LYS 67 HG1 LYS 67 5.013 -4.243 -9.607 501 HD2 LYS 67 HD2 LYS 67 3.219 -2.455 -11.241 502 HD3 LYS 67 HD1 LYS 67 4.908 -2.810 -11.587 503 HE2 LYS 67 HE2 LYS 67 4.312 -5.205 -11.824 504 HE3 LYS 67 HE1 LYS 67 2.619 -4.770 -11.589 505 HZ1 LYS 67 HZ1 LYS 67 3.143 -4.973 -13.924 506 HZ2 LYS 67 HZ2 LYS 67 4.389 -3.841 -13.766 507 HZ3 LYS 67 HZ3 LYS 67 2.796 -3.338 -13.584 508 H THR 68 HN THR 68 1.877 -1.884 -8.341 509 HA THR 68 HA THR 68 3.616 -0.054 -6.842 510 HB THR 68 HB THR 68 2.869 1.672 -8.438 511 HG1 THR 68 HG1 THR 68 1.371 -0.468 -9.633 512 HG21 THR 68 HG21 THR 68 4.872 0.404 -9.040 513 HG22 THR 68 HG22 THR 68 3.958 0.840 -10.485 514 HG23 THR 68 HG23 THR 68 3.877 -0.804 -9.850 515 H VAL 69 HN VAL 69 2.214 2.139 -6.482 516 HA VAL 69 HA VAL 69 -0.111 1.176 -5.183 517 HB VAL 69 HB VAL 69 -0.525 3.231 -4.159 518 HG11 VAL 69 HG11 VAL 69 2.418 2.874 -4.264 519 HG12 VAL 69 HG12 VAL 69 1.256 2.099 -3.179 520 HG13 VAL 69 HG13 VAL 69 1.537 3.837 -3.077 521 HG21 VAL 69 HG21 VAL 69 0.639 5.321 -4.658 522 HG22 VAL 69 HG22 VAL 69 -0.377 4.740 -5.970 523 HG23 VAL 69 HG23 VAL 69 1.377 4.542 -6.062 524 H GLY 70 HN GLY 70 0.615 2.093 -8.248 525 HA2 GLY 70 HA2 GLY 70 -1.788 3.320 -9.048 526 HA3 GLY 70 HA1 GLY 70 -0.706 2.370 -10.076 527 H ASP 71 HN ASP 71 -0.683 -0.017 -8.832 528 HA ASP 71 HA ASP 71 -3.215 -1.193 -9.540 529 HB2 ASP 71 HB2 ASP 71 -1.247 -2.644 -7.739 530 HB3 ASP 71 HB1 ASP 71 -2.330 -3.269 -8.937 531 H ALA 72 HN ALA 72 -1.524 -0.477 -6.530 532 HA ALA 72 HA ALA 72 -3.417 -1.581 -4.835 533 HB1 ALA 72 HB1 ALA 72 -1.166 -0.811 -4.130 534 HB2 ALA 72 HB2 ALA 72 -2.473 -0.318 -3.059 535 HB3 ALA 72 HB3 ALA 72 -1.774 0.852 -4.174 536 H THR 73 HN THR 73 -3.449 1.581 -6.372 537 HA THR 73 HA THR 73 -5.407 2.698 -4.782 538 HB THR 73 HB THR 73 -4.750 3.332 -7.668 539 HG1 THR 73 HG1 THR 73 -3.072 3.666 -6.113 540 HG21 THR 73 HG21 THR 73 -6.328 4.963 -5.662 541 HG22 THR 73 HG22 THR 73 -6.996 4.183 -7.098 542 HG23 THR 73 HG23 THR 73 -5.837 5.502 -7.265 543 H LYS 74 HN LYS 74 -5.981 1.262 -8.015 544 HA LYS 74 HA LYS 74 -8.790 1.568 -7.682 545 HB2 LYS 74 HB2 LYS 74 -9.026 0.649 -9.876 546 HB3 LYS 74 HB1 LYS 74 -7.401 1.327 -9.859 547 HG2 LYS 74 HG2 LYS 74 -7.849 -1.553 -9.312 548 HG3 LYS 74 HG1 LYS 74 -7.740 -0.911 -10.948 549 HD2 LYS 74 HD2 LYS 74 -5.575 -0.036 -10.504 550 HD3 LYS 74 HD1 LYS 74 -5.679 -0.508 -8.802 551 HE2 LYS 74 HE2 LYS 74 -4.344 -2.134 -10.075 552 HE3 LYS 74 HE1 LYS 74 -5.833 -2.883 -9.519 553 HZ1 LYS 74 HZ1 LYS 74 -5.341 -3.483 -11.780 554 HZ2 LYS 74 HZ2 LYS 74 -5.293 -1.860 -12.250 555 HZ3 LYS 74 HZ3 LYS 74 -6.764 -2.557 -11.742 556 H TYR 75 HN TYR 75 -6.558 -0.702 -6.681 557 HA TYR 75 HA TYR 75 -8.161 -3.052 -6.455 558 HB2 TYR 75 HB2 TYR 75 -5.654 -2.779 -6.678 559 HB3 TYR 75 HB1 TYR 75 -5.663 -2.311 -4.992 560 HD1 TYR 75 HD1 TYR 75 -6.104 -4.970 -7.377 561 HD2 TYR 75 HD2 TYR 75 -5.999 -3.944 -3.271 562 HE1 TYR 75 HE1 TYR 75 -5.827 -7.306 -6.832 563 HE2 TYR 75 HE2 TYR 75 -5.742 -6.277 -2.670 564 HH TYR 75 HH TYR 75 -6.088 -8.408 -3.594 565 H ILE 76 HN ILE 76 -6.751 -0.727 -4.168 566 HA ILE 76 HA ILE 76 -8.022 -1.714 -1.894 567 HB ILE 76 HB ILE 76 -6.735 0.951 -2.509 568 HG12 ILE 76 HG12 ILE 76 -5.859 -1.345 -0.743 569 HG13 ILE 76 HG11 ILE 76 -5.300 -1.058 -2.385 570 HG21 ILE 76 HG21 ILE 76 -7.794 0.045 0.162 571 HG22 ILE 76 HG22 ILE 76 -8.428 1.370 -0.816 572 HG23 ILE 76 HG23 ILE 76 -6.812 1.482 -0.120 573 HD11 ILE 76 HD11 ILE 76 -4.890 0.777 -0.046 574 HD12 ILE 76 HD12 ILE 76 -4.279 1.028 -1.684 575 HD13 ILE 76 HD13 ILE 76 -3.686 -0.324 -0.713 576 H LEU 77 HN LEU 77 -8.964 0.733 -4.245 577 HA LEU 77 HA LEU 77 -11.148 1.717 -2.859 578 HB2 LEU 77 HB2 LEU 77 -10.699 1.510 -5.834 579 HB3 LEU 77 HB1 LEU 77 -12.051 2.369 -5.124 580 HG LEU 77 HG LEU 77 -9.139 3.056 -4.692 581 HD11 LEU 77 HD11 LEU 77 -11.239 4.442 -6.355 582 HD12 LEU 77 HD12 LEU 77 -9.844 3.559 -6.969 583 HD13 LEU 77 HD13 LEU 77 -9.612 5.040 -6.037 584 HD21 LEU 77 HD21 LEU 77 -11.657 4.471 -3.821 585 HD22 LEU 77 HD22 LEU 77 -10.011 5.079 -3.624 586 HD23 LEU 77 HD23 LEU 77 -10.521 3.621 -2.773 587 H ASP 78 HN ASP 78 -10.872 -1.148 -4.864 588 HA ASP 78 HA ASP 78 -13.710 -1.712 -4.736 589 HB2 ASP 78 HB2 ASP 78 -12.370 -2.307 -6.728 590 HB3 ASP 78 HB1 ASP 78 -11.440 -3.434 -5.750 591 H HIS 79 HN HIS 79 -10.974 -2.398 -2.846 592 HA HIS 79 HA HIS 79 -12.221 -4.730 -1.547 593 HB2 HIS 79 HB2 HIS 79 -9.361 -3.777 -1.580 594 HB3 HIS 79 HB1 HIS 79 -9.927 -5.035 -0.488 595 HD1 HIS 79 HD1 HIS 79 -9.095 -7.241 -1.438 596 HD2 HIS 79 HD2 HIS 79 -10.541 -4.700 -4.398 597 HE1 HIS 79 HE1 HIS 79 -8.914 -8.497 -3.556 598 HE2 HIS 79 HE2 HIS 79 -10.270 -7.119 -5.143 599 H GLN 80 HN GLN 80 -12.437 -1.573 -1.055 600 HA GLN 80 HA GLN 80 -12.091 -1.725 1.870 601 HB2 GLN 80 HB2 GLN 80 -11.944 0.681 1.893 602 HB3 GLN 80 HB1 GLN 80 -10.811 0.039 0.713 603 HG2 GLN 80 HG2 GLN 80 -12.407 0.584 -1.084 604 HG3 GLN 80 HG1 GLN 80 -13.495 1.273 0.112 605 HE21 GLN 80 HE21 GLN 80 -10.008 1.633 0.172 606 HE22 GLN 80 HE22 GLN 80 -10.015 3.324 -0.183 607 H ALA 81 HN ALA 81 -13.702 -0.232 3.045 608 HA ALA 81 HA ALA 81 -16.334 -0.532 1.806 609 HB1 ALA 81 HB1 ALA 81 -15.646 -0.627 4.753 610 HB2 ALA 81 HB2 ALA 81 -16.071 -2.015 3.753 611 HB3 ALA 81 HB3 ALA 81 -17.269 -0.757 4.070 612 H2 SOO 101 H2A SOO 101 3.971 -5.819 -0.534 613 H3 SOO 101 H3A SOO 101 1.954 -4.042 -2.056 614 H4 SOO 101 H4A SOO 101 1.916 -4.726 0.814 615 H4A SOO 101 H4B SOO 101 3.055 -3.400 0.528 616 H5 SOO 101 H5A SOO 101 0.163 -3.468 -0.341 617 H5A SOO 101 H5B SOO 101 1.296 -2.148 -0.621 618 H6 SOO 101 H6A SOO 101 1.511 -1.785 1.765 619 H6A SOO 101 H6B SOO 101 0.423 -3.134 2.087 620 H7 SOO 101 H7A SOO 101 -0.330 -0.627 0.567 621 H7A SOO 101 H7B SOO 101 -0.733 -0.963 2.260 622 H8 SOO 101 H8C SOO 101 -2.610 -1.482 0.776 623 H8A SOO 101 H8A SOO 101 -1.992 -2.943 1.548 624 H8B SOO 101 H8B SOO 101 -1.589 -2.595 -0.134 625 H28 SOO 101 H28A SOO 101 9.663 -11.050 1.682 626 H28A SOO 101 H28B SOO 101 9.592 -9.352 1.201 627 H30 SOO 101 H30A SOO 101 10.617 -10.054 -1.653 628 H30A SOO 101 H30B SOO 101 9.429 -8.811 -1.239 629 H30B SOO 101 H30C SOO 101 9.014 -10.084 -2.386 630 H31 SOO 101 H31A SOO 101 8.902 -12.804 0.109 631 H31A SOO 101 H31B SOO 101 10.284 -12.395 -0.901 632 H31B SOO 101 H31C SOO 101 8.661 -12.416 -1.594 633 H32 SOO 101 H32A SOO 101 7.488 -9.353 0.230 634 HO33 SOO 101 H33A SOO 101 6.841 -11.327 -1.668 635 HN36 SOO 101 H36A SOO 101 5.294 -10.337 0.227 636 H37 SOO 101 H37A SOO 101 4.824 -12.574 2.077 637 H37A SOO 101 H37B SOO 101 4.356 -10.960 2.571 638 H38 SOO 101 H38A SOO 101 3.260 -12.477 0.215 639 H38A SOO 101 H38B SOO 101 2.379 -11.989 1.672 640 HN41 SOO 101 H41A SOO 101 4.378 -10.576 -0.911 641 H42 SOO 101 H42A SOO 101 3.328 -9.255 -2.622 642 H42A SOO 101 H42B SOO 101 2.565 -8.288 -1.329 643 H43 SOO 101 H43A SOO 101 5.541 -8.749 -1.565 644 H43A SOO 101 H43B SOO 101 4.728 -7.411 -0.702 Start of MODEL 2 1 H1 ALA 1 HT1 ALA 1 -14.335 3.737 2.803 2 H2 ALA 1 HT2 ALA 1 -15.863 3.636 2.103 3 H3 ALA 1 HT3 ALA 1 -15.280 5.130 2.696 4 HA ALA 1 HA ALA 1 -14.143 3.616 0.444 5 HB1 ALA 1 HB1 ALA 1 -15.720 6.188 0.496 6 HB2 ALA 1 HB2 ALA 1 -16.298 4.633 -0.104 7 HB3 ALA 1 HB3 ALA 1 -14.976 5.459 -0.927 8 H ALA 2 HN ALA 2 -12.769 5.318 -0.823 9 HA ALA 2 HA ALA 2 -11.507 7.422 0.611 10 HB1 ALA 2 HB1 ALA 2 -9.237 6.436 0.717 11 HB2 ALA 2 HB2 ALA 2 -9.887 4.892 0.170 12 HB3 ALA 2 HB3 ALA 2 -10.368 5.545 1.738 13 H THR 3 HN THR 3 -10.535 8.778 -0.898 14 HA THR 3 HA THR 3 -10.833 8.041 -3.663 15 HB THR 3 HB THR 3 -9.918 10.302 -4.136 16 HG1 THR 3 HG1 THR 3 -9.721 11.579 -1.961 17 HG21 THR 3 HG21 THR 3 -12.328 10.066 -3.684 18 HG22 THR 3 HG22 THR 3 -11.722 11.608 -3.073 19 HG23 THR 3 HG23 THR 3 -12.025 10.277 -1.960 20 H GLN 4 HN GLN 4 -8.858 8.690 -5.177 21 HA GLN 4 HA GLN 4 -6.687 7.009 -4.634 22 HB2 GLN 4 HB2 GLN 4 -7.130 7.436 -6.913 23 HB3 GLN 4 HB1 GLN 4 -7.225 9.160 -6.687 24 HG2 GLN 4 HG2 GLN 4 -4.621 7.666 -6.420 25 HG3 GLN 4 HG1 GLN 4 -5.230 8.183 -7.989 26 HE21 GLN 4 HE21 GLN 4 -2.786 9.022 -6.635 27 HE22 GLN 4 HE22 GLN 4 -2.911 10.724 -6.408 28 H GLU 5 HN GLU 5 -7.196 10.423 -4.230 29 HA GLU 5 HA GLU 5 -4.631 11.209 -3.432 30 HB2 GLU 5 HB2 GLU 5 -6.714 12.630 -3.936 31 HB3 GLU 5 HB1 GLU 5 -7.162 12.336 -2.264 32 HG2 GLU 5 HG2 GLU 5 -6.092 14.424 -2.298 33 HG3 GLU 5 HG1 GLU 5 -4.918 13.288 -1.622 34 H GLU 6 HN GLU 6 -7.362 9.894 -1.588 35 HA GLU 6 HA GLU 6 -6.111 10.159 0.947 36 HB2 GLU 6 HB2 GLU 6 -8.423 8.445 0.063 37 HB3 GLU 6 HB1 GLU 6 -7.898 8.616 1.728 38 HG2 GLU 6 HG2 GLU 6 -8.387 10.999 1.639 39 HG3 GLU 6 HG1 GLU 6 -8.912 10.825 -0.037 40 H ILE 7 HN ILE 7 -6.412 7.532 -1.362 41 HA ILE 7 HA ILE 7 -5.240 5.549 0.268 42 HB ILE 7 HB ILE 7 -5.419 5.703 -2.758 43 HG12 ILE 7 HG12 ILE 7 -7.083 4.182 -0.738 44 HG13 ILE 7 HG11 ILE 7 -7.568 5.690 -1.500 45 HG21 ILE 7 HG21 ILE 7 -3.631 4.168 -2.093 46 HG22 ILE 7 HG22 ILE 7 -5.017 3.261 -2.710 47 HG23 ILE 7 HG23 ILE 7 -4.727 3.356 -0.975 48 HD11 ILE 7 HD11 ILE 7 -8.632 3.795 -2.557 49 HD12 ILE 7 HD12 ILE 7 -7.056 3.080 -2.897 50 HD13 ILE 7 HD13 ILE 7 -7.527 4.590 -3.678 51 H VAL 8 HN VAL 8 -3.808 7.289 -2.463 52 HA VAL 8 HA VAL 8 -1.239 6.244 -2.203 53 HB VAL 8 HB VAL 8 -2.155 8.875 -3.404 54 HG11 VAL 8 HG11 VAL 8 0.380 7.318 -3.838 55 HG12 VAL 8 HG12 VAL 8 0.250 8.866 -2.996 56 HG13 VAL 8 HG13 VAL 8 -0.119 8.761 -4.721 57 HG21 VAL 8 HG21 VAL 8 -1.735 6.136 -4.553 58 HG22 VAL 8 HG22 VAL 8 -2.003 7.581 -5.505 59 HG23 VAL 8 HG23 VAL 8 -3.266 7.006 -4.409 60 H ALA 9 HN ALA 9 -2.361 9.474 -1.158 61 HA ALA 9 HA ALA 9 0.019 10.144 0.188 62 HB1 ALA 9 HB1 ALA 9 -1.646 11.820 -0.494 63 HB2 ALA 9 HB2 ALA 9 -1.238 11.954 1.218 64 HB3 ALA 9 HB3 ALA 9 -2.756 11.200 0.729 65 H GLY 10 HN GLY 10 -2.803 8.352 1.242 66 HA2 GLY 10 HA2 GLY 10 -2.216 8.441 4.031 67 HA3 GLY 10 HA1 GLY 10 -3.308 7.314 3.230 68 H LEU 11 HN LEU 11 -1.573 6.182 1.429 69 HA LEU 11 HA LEU 11 -0.409 4.079 2.773 70 HB2 LEU 11 HB2 LEU 11 -0.618 5.059 0.119 71 HB3 LEU 11 HB1 LEU 11 1.020 4.496 0.363 72 HG LEU 11 HG LEU 11 -1.504 2.878 0.848 73 HD11 LEU 11 HD11 LEU 11 -1.164 3.324 -1.517 74 HD12 LEU 11 HD12 LEU 11 -0.845 1.629 -1.147 75 HD13 LEU 11 HD13 LEU 11 0.496 2.744 -1.401 76 HD21 LEU 11 HD21 LEU 11 0.343 2.211 2.291 77 HD22 LEU 11 HD22 LEU 11 1.404 2.076 0.892 78 HD23 LEU 11 HD23 LEU 11 0.033 0.978 1.066 79 H ALA 12 HN ALA 12 1.040 6.997 1.505 80 HA ALA 12 HA ALA 12 3.689 6.354 2.032 81 HB1 ALA 12 HB1 ALA 12 4.177 8.647 1.730 82 HB2 ALA 12 HB2 ALA 12 2.464 9.078 1.899 83 HB3 ALA 12 HB3 ALA 12 3.014 8.098 0.526 84 H GLU 13 HN GLU 13 1.247 7.652 4.159 85 HA GLU 13 HA GLU 13 3.023 8.589 6.170 86 HB2 GLU 13 HB2 GLU 13 0.171 7.618 6.431 87 HB3 GLU 13 HB1 GLU 13 1.073 8.394 7.721 88 HG2 GLU 13 HG2 GLU 13 1.241 10.424 6.351 89 HG3 GLU 13 HG1 GLU 13 0.295 9.630 5.091 90 H ILE 14 HN ILE 14 1.274 5.568 5.754 91 HA ILE 14 HA ILE 14 2.395 4.311 8.034 92 HB ILE 14 HB ILE 14 1.058 3.128 5.580 93 HG12 ILE 14 HG12 ILE 14 -0.758 2.505 7.227 94 HG13 ILE 14 HG11 ILE 14 0.088 3.457 8.429 95 HG21 ILE 14 HG21 ILE 14 0.949 0.979 6.758 96 HG22 ILE 14 HG22 ILE 14 1.951 1.652 8.044 97 HG23 ILE 14 HG23 ILE 14 2.606 1.479 6.416 98 HD11 ILE 14 HD11 ILE 14 -0.285 5.457 7.084 99 HD12 ILE 14 HD12 ILE 14 -1.799 4.648 7.498 100 HD13 ILE 14 HD13 ILE 14 -1.124 4.483 5.878 101 H VAL 15 HN VAL 15 3.215 4.259 4.590 102 HA VAL 15 HA VAL 15 5.338 2.463 4.725 103 HB VAL 15 HB VAL 15 4.844 4.739 2.782 104 HG11 VAL 15 HG11 VAL 15 6.881 2.517 2.573 105 HG12 VAL 15 HG12 VAL 15 7.219 4.239 2.808 106 HG13 VAL 15 HG13 VAL 15 6.473 3.687 1.307 107 HG21 VAL 15 HG21 VAL 15 4.475 1.757 2.550 108 HG22 VAL 15 HG22 VAL 15 4.168 2.936 1.272 109 HG23 VAL 15 HG23 VAL 15 3.194 2.955 2.742 110 H ASN 16 HN ASN 16 5.214 5.853 5.449 111 HA ASN 16 HA ASN 16 8.010 6.299 5.583 112 HB2 ASN 16 HB2 ASN 16 6.152 8.031 5.323 113 HB3 ASN 16 HB1 ASN 16 5.895 7.860 7.054 114 HD21 ASN 16 HD21 ASN 16 8.045 8.860 4.584 115 HD22 ASN 16 HD22 ASN 16 9.084 9.842 5.531 116 H GLU 17 HN GLU 17 5.644 5.079 7.784 117 HA GLU 17 HA GLU 17 7.312 5.253 10.132 118 HB2 GLU 17 HB2 GLU 17 4.837 3.582 9.659 119 HB3 GLU 17 HB1 GLU 17 5.550 3.984 11.214 120 HG2 GLU 17 HG2 GLU 17 4.394 5.944 9.284 121 HG3 GLU 17 HG1 GLU 17 3.516 5.290 10.659 122 H ILE 18 HN ILE 18 6.035 2.652 8.116 123 HA ILE 18 HA ILE 18 7.338 0.443 9.230 124 HB ILE 18 HB ILE 18 6.503 0.868 6.354 125 HG12 ILE 18 HG12 ILE 18 4.659 1.183 7.964 126 HG13 ILE 18 HG11 ILE 18 4.416 -0.235 6.961 127 HG21 ILE 18 HG21 ILE 18 8.025 -1.012 6.532 128 HG22 ILE 18 HG22 ILE 18 6.389 -1.583 6.205 129 HG23 ILE 18 HG23 ILE 18 7.054 -1.703 7.834 130 HD11 ILE 18 HD11 ILE 18 5.173 -1.644 8.830 131 HD12 ILE 18 HD12 ILE 18 3.749 -0.682 9.202 132 HD13 ILE 18 HD13 ILE 18 5.330 -0.194 9.830 133 H ALA 19 HN ALA 19 8.283 2.375 6.382 134 HA ALA 19 HA ALA 19 10.946 1.124 6.553 135 HB1 ALA 19 HB1 ALA 19 9.727 0.508 4.516 136 HB2 ALA 19 HB2 ALA 19 11.178 1.439 4.156 137 HB3 ALA 19 HB3 ALA 19 9.596 2.214 4.091 138 H GLY 20 HN GLY 20 9.294 4.102 5.657 139 HA2 GLY 20 HA2 GLY 20 10.144 6.197 6.573 140 HA3 GLY 20 HA1 GLY 20 11.763 5.524 6.427 141 H ILE 21 HN ILE 21 9.182 5.364 4.079 142 HA ILE 21 HA ILE 21 10.939 6.660 2.160 143 HB ILE 21 HB ILE 21 8.308 5.182 1.778 144 HG12 ILE 21 HG12 ILE 21 10.127 3.693 2.383 145 HG13 ILE 21 HG11 ILE 21 9.685 3.446 0.699 146 HG21 ILE 21 HG21 ILE 21 8.744 5.295 -0.633 147 HG22 ILE 21 HG22 ILE 21 10.160 6.297 -0.328 148 HG23 ILE 21 HG23 ILE 21 8.550 6.904 0.067 149 HD11 ILE 21 HD11 ILE 21 12.091 3.397 0.987 150 HD12 ILE 21 HD12 ILE 21 12.053 5.012 1.704 151 HD13 ILE 21 HD13 ILE 21 11.612 4.790 0.011 152 HA PRO 22 HA PRO 22 9.236 10.669 2.816 153 HB2 PRO 22 HB2 PRO 22 9.328 10.646 -0.182 154 HB3 PRO 22 HB1 PRO 22 9.823 11.923 0.942 155 HG2 PRO 22 HG2 PRO 22 11.646 10.357 -0.143 156 HG3 PRO 22 HG1 PRO 22 11.756 10.803 1.569 157 HD2 PRO 22 HD2 PRO 22 10.978 8.211 0.337 158 HD3 PRO 22 HD1 PRO 22 11.785 8.533 1.883 159 H VAL 23 HN VAL 23 7.344 11.539 2.960 160 HA VAL 23 HA VAL 23 5.062 9.963 2.528 161 HB VAL 23 HB VAL 23 3.757 11.844 3.462 162 HG11 VAL 23 HG11 VAL 23 4.831 11.809 5.663 163 HG12 VAL 23 HG12 VAL 23 6.287 11.131 4.933 164 HG13 VAL 23 HG13 VAL 23 4.784 10.207 4.927 165 HG21 VAL 23 HG21 VAL 23 6.434 13.207 3.448 166 HG22 VAL 23 HG22 VAL 23 4.980 13.842 4.238 167 HG23 VAL 23 HG23 VAL 23 5.041 13.662 2.475 168 H GLU 24 HN GLU 24 6.462 11.907 0.172 169 HA GLU 24 HA GLU 24 3.898 11.961 -1.232 170 HB2 GLU 24 HB2 GLU 24 4.995 14.174 -0.754 171 HB3 GLU 24 HB1 GLU 24 6.361 13.637 -1.726 172 HG2 GLU 24 HG2 GLU 24 4.735 13.231 -3.536 173 HG3 GLU 24 HG1 GLU 24 3.559 14.136 -2.575 174 H ASP 25 HN ASP 25 6.634 10.236 -0.842 175 HA ASP 25 HA ASP 25 7.362 10.008 -3.656 176 HB2 ASP 25 HB2 ASP 25 9.081 10.283 -1.881 177 HB3 ASP 25 HB1 ASP 25 8.653 8.705 -1.257 178 H VAL 26 HN VAL 26 5.342 8.436 -1.418 179 HA VAL 26 HA VAL 26 5.465 5.948 -2.886 180 HB VAL 26 HB VAL 26 3.653 6.764 -0.578 181 HG11 VAL 26 HG11 VAL 26 3.362 4.364 -0.208 182 HG12 VAL 26 HG12 VAL 26 4.365 4.025 -1.620 183 HG13 VAL 26 HG13 VAL 26 2.817 4.845 -1.814 184 HG21 VAL 26 HG21 VAL 26 5.955 6.931 0.135 185 HG22 VAL 26 HG22 VAL 26 6.283 5.308 -0.466 186 HG23 VAL 26 HG23 VAL 26 5.183 5.540 0.894 187 H LYS 27 HN LYS 27 4.937 7.405 -4.742 188 HA LYS 27 HA LYS 27 2.149 8.051 -4.909 189 HB2 LYS 27 HB2 LYS 27 2.984 9.245 -6.923 190 HB3 LYS 27 HB1 LYS 27 3.309 9.993 -5.363 191 HG2 LYS 27 HG2 LYS 27 5.617 8.816 -5.647 192 HG3 LYS 27 HG1 LYS 27 5.125 8.608 -7.329 193 HD2 LYS 27 HD2 LYS 27 4.837 11.035 -7.540 194 HD3 LYS 27 HD1 LYS 27 5.329 11.236 -5.858 195 HE2 LYS 27 HE2 LYS 27 7.244 11.712 -7.161 196 HE3 LYS 27 HE1 LYS 27 7.498 10.109 -6.483 197 HZ1 LYS 27 HZ1 LYS 27 8.129 9.989 -8.730 198 HZ2 LYS 27 HZ2 LYS 27 6.796 10.859 -9.237 199 HZ3 LYS 27 HZ3 LYS 27 6.582 9.278 -8.764 200 H LEU 28 HN LEU 28 1.356 7.930 -7.191 201 HA LEU 28 HA LEU 28 0.783 5.295 -7.716 202 HB2 LEU 28 HB2 LEU 28 0.559 7.648 -9.553 203 HB3 LEU 28 HB1 LEU 28 -0.098 6.065 -9.930 204 HG LEU 28 HG LEU 28 -0.895 7.723 -7.532 205 HD11 LEU 28 HD11 LEU 28 -2.318 7.262 -10.138 206 HD12 LEU 28 HD12 LEU 28 -1.614 8.789 -9.590 207 HD13 LEU 28 HD13 LEU 28 -2.987 8.084 -8.730 208 HD21 LEU 28 HD21 LEU 28 -2.715 6.117 -7.337 209 HD22 LEU 28 HD22 LEU 28 -1.149 5.328 -7.192 210 HD23 LEU 28 HD23 LEU 28 -2.063 5.201 -8.699 211 H ASP 29 HN ASP 29 3.362 7.082 -9.201 212 HA ASP 29 HA ASP 29 3.909 5.022 -11.187 213 HB2 ASP 29 HB2 ASP 29 5.668 6.495 -11.983 214 HB3 ASP 29 HB1 ASP 29 4.180 7.402 -11.759 215 H LYS 30 HN LYS 30 4.349 4.490 -8.143 216 HA LYS 30 HA LYS 30 7.200 3.864 -8.332 217 HB2 LYS 30 HB2 LYS 30 5.680 4.940 -5.947 218 HB3 LYS 30 HB1 LYS 30 7.367 4.434 -5.935 219 HG2 LYS 30 HG2 LYS 30 6.575 6.488 -7.927 220 HG3 LYS 30 HG1 LYS 30 6.631 6.979 -6.237 221 HD2 LYS 30 HD2 LYS 30 8.926 5.595 -7.621 222 HD3 LYS 30 HD1 LYS 30 8.757 7.357 -7.573 223 HE2 LYS 30 HE2 LYS 30 8.622 7.224 -5.113 224 HE3 LYS 30 HE1 LYS 30 8.903 5.497 -5.220 225 HZ1 LYS 30 HZ1 LYS 30 10.848 7.531 -6.182 226 HZ2 LYS 30 HZ2 LYS 30 11.096 5.845 -5.917 227 HZ3 LYS 30 HZ3 LYS 30 10.770 6.892 -4.630 228 H SER 31 HN SER 31 7.710 1.860 -7.774 229 HA SER 31 HA SER 31 5.545 0.041 -7.074 230 HB2 SER 31 HB2 SER 31 6.979 -0.428 -9.064 231 HB3 SER 31 HB1 SER 31 8.362 -0.561 -7.990 232 HG SER 31 HG SER 31 7.207 -2.546 -8.625 233 H PHE 32 HN PHE 32 5.506 -1.101 -5.252 234 HA PHE 32 HA PHE 32 6.892 -0.324 -2.938 235 HB2 PHE 32 HB2 PHE 32 5.447 -2.926 -3.477 236 HB3 PHE 32 HB1 PHE 32 6.085 -2.477 -1.906 237 HD1 PHE 32 HD1 PHE 32 5.197 -0.314 -0.878 238 HD2 PHE 32 HD2 PHE 32 3.324 -2.336 -4.104 239 HE1 PHE 32 HE1 PHE 32 3.082 0.824 -0.348 240 HE2 PHE 32 HE2 PHE 32 1.207 -1.196 -3.600 241 HZ PHE 32 HZ PHE 32 1.082 0.383 -1.714 242 H THR 33 HN THR 33 7.210 -3.643 -4.258 243 HA THR 33 HA THR 33 9.796 -3.819 -3.054 244 HB THR 33 HB THR 33 9.515 -6.225 -3.946 245 HG1 THR 33 HG1 THR 33 7.513 -6.744 -4.684 246 HG21 THR 33 HG21 THR 33 9.153 -5.589 -1.589 247 HG22 THR 33 HG22 THR 33 7.975 -6.793 -2.107 248 HG23 THR 33 HG23 THR 33 7.505 -5.096 -1.976 249 H ASP 34 HN ASP 34 10.348 -2.063 -4.755 250 HA ASP 34 HA ASP 34 12.138 -3.182 -6.649 251 HB2 ASP 34 HB2 ASP 34 10.183 -3.520 -8.043 252 HB3 ASP 34 HB1 ASP 34 9.680 -1.849 -7.809 253 H ASP 35 HN ASP 35 10.182 -0.248 -6.056 254 HA ASP 35 HA ASP 35 12.611 1.311 -6.565 255 HB2 ASP 35 HB2 ASP 35 10.577 1.792 -7.934 256 HB3 ASP 35 HB1 ASP 35 9.731 2.238 -6.460 257 H LEU 36 HN LEU 36 9.782 1.148 -4.453 258 HA LEU 36 HA LEU 36 10.745 3.065 -2.595 259 HB2 LEU 36 HB2 LEU 36 8.610 0.973 -2.204 260 HB3 LEU 36 HB1 LEU 36 8.860 2.393 -1.213 261 HG LEU 36 HG LEU 36 7.943 2.361 -4.086 262 HD11 LEU 36 HD11 LEU 36 5.846 3.208 -3.185 263 HD12 LEU 36 HD12 LEU 36 6.488 3.061 -1.551 264 HD13 LEU 36 HD13 LEU 36 6.239 1.616 -2.533 265 HD21 LEU 36 HD21 LEU 36 7.627 4.784 -3.796 266 HD22 LEU 36 HD22 LEU 36 9.304 4.279 -3.684 267 HD23 LEU 36 HD23 LEU 36 8.412 4.685 -2.214 268 H ASP 37 HN ASP 37 10.379 -0.443 -2.416 269 HA ASP 37 HA ASP 37 11.055 -1.996 -1.048 270 HB2 ASP 37 HB2 ASP 37 13.542 -0.326 -1.048 271 HB3 ASP 37 HB1 ASP 37 13.425 -1.705 0.042 272 H VAL 38 HN VAL 38 9.588 -2.031 0.306 273 HA VAL 38 HA VAL 38 9.722 -0.223 2.611 274 HB VAL 38 HB VAL 38 7.366 -1.992 1.891 275 HG11 VAL 38 HG11 VAL 38 7.532 0.590 3.447 276 HG12 VAL 38 HG12 VAL 38 7.332 -1.028 4.123 277 HG13 VAL 38 HG13 VAL 38 6.059 -0.330 3.123 278 HG21 VAL 38 HG21 VAL 38 7.830 -0.643 -0.084 279 HG22 VAL 38 HG22 VAL 38 7.846 0.822 0.903 280 HG23 VAL 38 HG23 VAL 38 6.353 -0.095 0.708 281 H ASP 39 HN ASP 39 11.570 -2.147 2.557 282 HA ASP 39 HA ASP 39 12.620 -3.718 3.815 283 HB2 ASP 39 HB2 ASP 39 11.529 -2.319 5.659 284 HB3 ASP 39 HB1 ASP 39 10.267 -3.555 5.641 285 H SER 40 HN SER 40 10.345 -4.219 2.016 286 HA SER 40 HA SER 40 9.169 -5.793 0.978 287 HB2 SER 40 HB2 SER 40 10.273 -8.003 0.702 288 HB3 SER 40 HB1 SER 40 11.334 -6.624 0.409 289 H LEU 41 HN LEU 41 10.154 -7.795 3.690 290 HA LEU 41 HA LEU 41 7.659 -9.147 3.745 291 HB2 LEU 41 HB2 LEU 41 8.523 -10.156 5.900 292 HB3 LEU 41 HB1 LEU 41 9.480 -10.426 4.466 293 HG LEU 41 HG LEU 41 11.013 -8.578 5.259 294 HD11 LEU 41 HD11 LEU 41 9.531 -8.897 7.858 295 HD12 LEU 41 HD12 LEU 41 9.468 -7.497 6.804 296 HD13 LEU 41 HD13 LEU 41 10.991 -7.929 7.590 297 HD21 LEU 41 HD21 LEU 41 12.168 -10.010 6.877 298 HD22 LEU 41 HD22 LEU 41 11.599 -10.920 5.476 299 HD23 LEU 41 HD23 LEU 41 10.724 -11.013 7.005 300 H SER 42 HN SER 42 8.783 -6.328 5.257 301 HA SER 42 HA SER 42 6.829 -6.277 7.293 302 HB2 SER 42 HB2 SER 42 8.697 -4.149 6.280 303 HB3 SER 42 HB1 SER 42 7.604 -3.926 7.649 304 HG SER 42 HG SER 42 9.997 -5.182 7.564 305 H MET 43 HN MET 43 6.625 -5.749 3.999 306 HA MET 43 HA MET 43 5.003 -3.553 3.969 307 HB2 MET 43 HB2 MET 43 5.037 -3.770 1.723 308 HB3 MET 43 HB1 MET 43 6.015 -5.199 1.933 309 HG2 MET 43 HG2 MET 43 3.032 -5.191 1.766 310 HG3 MET 43 HG1 MET 43 4.122 -5.462 0.417 311 HE1 MET 43 HE1 MET 43 2.662 -7.533 -0.039 312 HE2 MET 43 HE2 MET 43 1.694 -7.320 1.423 313 HE3 MET 43 HE3 MET 43 2.442 -8.893 1.065 314 H VAL 44 HN VAL 44 4.280 -6.773 4.865 315 HA VAL 44 HA VAL 44 1.513 -6.781 4.479 316 HB VAL 44 HB VAL 44 3.134 -8.297 6.558 317 HG11 VAL 44 HG11 VAL 44 1.229 -9.835 6.705 318 HG12 VAL 44 HG12 VAL 44 0.303 -8.796 5.620 319 HG13 VAL 44 HG13 VAL 44 0.768 -8.208 7.215 320 HG21 VAL 44 HG21 VAL 44 2.086 -9.102 3.853 321 HG22 VAL 44 HG22 VAL 44 2.941 -10.158 4.981 322 HG23 VAL 44 HG23 VAL 44 3.769 -8.769 4.266 323 H GLU 45 HN GLU 45 3.525 -5.485 7.019 324 HA GLU 45 HA GLU 45 1.395 -4.976 8.832 325 HB2 GLU 45 HB2 GLU 45 4.143 -3.726 8.698 326 HB3 GLU 45 HB1 GLU 45 3.045 -3.668 10.073 327 HG2 GLU 45 HG2 GLU 45 3.158 -6.116 10.231 328 HG3 GLU 45 HG1 GLU 45 4.310 -6.123 8.906 329 H VAL 46 HN VAL 46 3.104 -3.182 6.344 330 HA VAL 46 HA VAL 46 1.883 -0.702 6.480 331 HB VAL 46 HB VAL 46 2.368 -2.245 3.902 332 HG11 VAL 46 HG11 VAL 46 1.031 -0.252 3.538 333 HG12 VAL 46 HG12 VAL 46 2.639 -0.034 2.858 334 HG13 VAL 46 HG13 VAL 46 2.221 0.728 4.389 335 HG21 VAL 46 HG21 VAL 46 4.383 -2.219 5.233 336 HG22 VAL 46 HG22 VAL 46 4.257 -0.471 5.427 337 HG23 VAL 46 HG23 VAL 46 4.559 -1.165 3.832 338 H VAL 47 HN VAL 47 0.819 -3.598 4.727 339 HA VAL 47 HA VAL 47 -1.687 -2.854 3.751 340 HB VAL 47 HB VAL 47 -0.994 -5.548 4.952 341 HG11 VAL 47 HG11 VAL 47 -2.604 -6.439 3.344 342 HG12 VAL 47 HG12 VAL 47 -2.977 -4.800 2.809 343 HG13 VAL 47 HG13 VAL 47 -3.360 -5.299 4.457 344 HG21 VAL 47 HG21 VAL 47 0.716 -4.886 3.375 345 HG22 VAL 47 HG22 VAL 47 -0.513 -4.534 2.160 346 HG23 VAL 47 HG23 VAL 47 -0.263 -6.191 2.712 347 H VAL 48 HN VAL 48 -1.098 -4.528 6.835 348 HA VAL 48 HA VAL 48 -3.658 -4.474 7.884 349 HB VAL 48 HB VAL 48 -1.035 -4.205 9.393 350 HG11 VAL 48 HG11 VAL 48 -2.932 -3.614 10.816 351 HG12 VAL 48 HG12 VAL 48 -2.232 -5.155 11.307 352 HG13 VAL 48 HG13 VAL 48 -3.739 -5.122 10.388 353 HG21 VAL 48 HG21 VAL 48 -1.102 -6.151 7.960 354 HG22 VAL 48 HG22 VAL 48 -2.657 -6.629 8.642 355 HG23 VAL 48 HG23 VAL 48 -1.209 -6.637 9.653 356 H ALA 49 HN ALA 49 -1.153 -2.006 8.216 357 HA ALA 49 HA ALA 49 -2.778 -0.265 9.784 358 HB1 ALA 49 HB1 ALA 49 -0.205 0.329 8.339 359 HB2 ALA 49 HB2 ALA 49 -0.331 -0.287 9.989 360 HB3 ALA 49 HB3 ALA 49 -0.943 1.322 9.595 361 H ALA 50 HN ALA 50 -2.216 -0.679 6.381 362 HA ALA 50 HA ALA 50 -3.404 1.774 5.579 363 HB1 ALA 50 HB1 ALA 50 -1.946 0.505 4.058 364 HB2 ALA 50 HB2 ALA 50 -3.540 0.744 3.345 365 HB3 ALA 50 HB3 ALA 50 -3.110 -0.817 4.040 366 H GLU 51 HN GLU 51 -4.544 -1.465 6.260 367 HA GLU 51 HA GLU 51 -7.185 -1.056 5.505 368 HB2 GLU 51 HB2 GLU 51 -6.147 -2.817 7.716 369 HB3 GLU 51 HB1 GLU 51 -7.769 -2.880 7.050 370 HG2 GLU 51 HG2 GLU 51 -6.824 -3.508 4.882 371 HG3 GLU 51 HG1 GLU 51 -5.215 -3.530 5.621 372 H GLU 52 HN GLU 52 -5.361 -0.309 8.331 373 HA GLU 52 HA GLU 52 -7.503 0.541 9.958 374 HB2 GLU 52 HB2 GLU 52 -5.271 -0.145 10.774 375 HB3 GLU 52 HB1 GLU 52 -4.588 1.310 10.066 376 HG2 GLU 52 HG2 GLU 52 -5.955 2.665 11.557 377 HG3 GLU 52 HG1 GLU 52 -6.618 1.192 12.270 378 H ARG 53 HN ARG 53 -5.313 2.110 7.712 379 HA ARG 53 HA ARG 53 -6.073 4.784 8.200 380 HB2 ARG 53 HB2 ARG 53 -3.965 4.124 7.065 381 HB3 ARG 53 HB1 ARG 53 -4.905 3.651 5.654 382 HG2 ARG 53 HG2 ARG 53 -4.413 5.737 4.962 383 HG3 ARG 53 HG1 ARG 53 -5.796 6.168 5.963 384 HD2 ARG 53 HD2 ARG 53 -2.883 6.302 6.703 385 HD3 ARG 53 HD1 ARG 53 -3.954 7.672 6.425 386 HE ARG 53 HE ARG 53 -4.949 6.128 8.553 387 HH11 ARG 53 HH11 ARG 53 -2.371 8.471 7.808 388 HH12 ARG 53 HH12 ARG 53 -1.986 8.719 9.448 389 HH21 ARG 53 HH21 ARG 53 -4.298 6.448 10.807 390 HH22 ARG 53 HH22 ARG 53 -3.058 7.552 11.166 391 H PHE 54 HN PHE 54 -7.039 2.535 5.564 392 HA PHE 54 HA PHE 54 -8.978 4.564 4.628 393 HB2 PHE 54 HB2 PHE 54 -8.464 1.955 3.232 394 HB3 PHE 54 HB1 PHE 54 -9.052 3.467 2.567 395 HD1 PHE 54 HD1 PHE 54 -7.282 5.452 3.103 396 HD2 PHE 54 HD2 PHE 54 -6.410 1.343 2.490 397 HE1 PHE 54 HE1 PHE 54 -5.007 6.050 2.325 398 HE2 PHE 54 HE2 PHE 54 -4.150 1.918 1.730 399 HZ PHE 54 HZ PHE 54 -3.374 4.167 1.787 400 H ASP 55 HN ASP 55 -8.974 1.855 6.592 401 HA ASP 55 HA ASP 55 -10.452 0.345 7.325 402 HB2 ASP 55 HB2 ASP 55 -11.977 2.271 7.743 403 HB3 ASP 55 HB1 ASP 55 -12.565 2.174 6.091 404 H VAL 56 HN VAL 56 -9.211 0.158 4.766 405 HA VAL 56 HA VAL 56 -11.107 -1.222 3.104 406 HB VAL 56 HB VAL 56 -9.084 0.080 2.201 407 HG11 VAL 56 HG11 VAL 56 -7.330 -0.744 3.616 408 HG12 VAL 56 HG12 VAL 56 -6.972 -1.129 1.921 409 HG13 VAL 56 HG13 VAL 56 -7.565 -2.381 2.990 410 HG21 VAL 56 HG21 VAL 56 -9.494 -2.732 1.187 411 HG22 VAL 56 HG22 VAL 56 -8.719 -1.425 0.290 412 HG23 VAL 56 HG23 VAL 56 -10.421 -1.301 0.729 413 H LYS 57 HN LYS 57 -10.357 -3.487 2.368 414 HA LYS 57 HA LYS 57 -9.543 -5.063 4.707 415 HB2 LYS 57 HB2 LYS 57 -12.095 -5.352 3.167 416 HB3 LYS 57 HB1 LYS 57 -11.303 -6.812 3.723 417 HG2 LYS 57 HG2 LYS 57 -12.977 -6.251 5.316 418 HG3 LYS 57 HG1 LYS 57 -11.424 -5.898 6.050 419 HD2 LYS 57 HD2 LYS 57 -12.963 -4.144 6.605 420 HD3 LYS 57 HD1 LYS 57 -11.773 -3.500 5.478 421 HE2 LYS 57 HE2 LYS 57 -13.360 -3.705 3.651 422 HE3 LYS 57 HE1 LYS 57 -14.537 -4.457 4.730 423 HZ1 LYS 57 HZ1 LYS 57 -14.998 -2.063 4.404 424 HZ2 LYS 57 HZ2 LYS 57 -13.482 -1.687 5.043 425 HZ3 LYS 57 HZ3 LYS 57 -14.634 -2.409 6.007 426 H ILE 58 HN ILE 58 -7.683 -5.877 4.081 427 HA ILE 58 HA ILE 58 -7.655 -7.486 1.654 428 HB ILE 58 HB ILE 58 -5.269 -5.664 2.074 429 HG12 ILE 58 HG12 ILE 58 -7.623 -4.990 0.272 430 HG13 ILE 58 HG11 ILE 58 -7.273 -4.165 1.787 431 HG21 ILE 58 HG21 ILE 58 -4.947 -6.140 -0.306 432 HG22 ILE 58 HG22 ILE 58 -6.504 -6.950 -0.342 433 HG23 ILE 58 HG23 ILE 58 -5.169 -7.662 0.587 434 HD11 ILE 58 HD11 ILE 58 -5.145 -3.414 0.876 435 HD12 ILE 58 HD12 ILE 58 -6.509 -2.878 -0.103 436 HD13 ILE 58 HD13 ILE 58 -5.506 -4.226 -0.649 437 HA PRO 59 HA PRO 59 -5.454 -9.738 4.970 438 HB2 PRO 59 HB2 PRO 59 -5.806 -12.193 3.818 439 HB3 PRO 59 HB1 PRO 59 -7.031 -11.421 4.836 440 HG2 PRO 59 HG2 PRO 59 -6.844 -11.546 1.858 441 HG3 PRO 59 HG1 PRO 59 -8.262 -11.750 2.903 442 HD2 PRO 59 HD2 PRO 59 -7.753 -9.444 1.596 443 HD3 PRO 59 HD1 PRO 59 -8.541 -9.483 3.188 444 H ASP 60 HN ASP 60 -3.552 -11.233 4.814 445 HA ASP 60 HA ASP 60 -1.682 -10.065 3.051 446 HB2 ASP 60 HB2 ASP 60 0.039 -11.513 3.941 447 HB3 ASP 60 HB1 ASP 60 -0.920 -10.849 5.251 448 H ASP 61 HN ASP 61 -3.389 -13.104 2.882 449 HA ASP 61 HA ASP 61 -1.951 -14.237 0.725 450 HB2 ASP 61 HB2 ASP 61 -3.494 -15.578 2.040 451 HB3 ASP 61 HB1 ASP 61 -4.843 -14.563 1.561 452 H ASP 62 HN ASP 62 -4.373 -11.799 0.868 453 HA ASP 62 HA ASP 62 -5.090 -11.913 -1.949 454 HB2 ASP 62 HB2 ASP 62 -6.656 -11.291 0.013 455 HB3 ASP 62 HB1 ASP 62 -5.783 -9.761 0.014 456 H VAL 63 HN VAL 63 -3.329 -9.738 0.248 457 HA VAL 63 HA VAL 63 -2.849 -7.724 -1.637 458 HB VAL 63 HB VAL 63 -2.752 -7.276 0.778 459 HG11 VAL 63 HG11 VAL 63 -0.807 -7.850 2.104 460 HG12 VAL 63 HG12 VAL 63 -0.151 -8.769 0.748 461 HG13 VAL 63 HG13 VAL 63 -1.649 -9.290 1.522 462 HG21 VAL 63 HG21 VAL 63 -0.180 -6.624 -0.635 463 HG22 VAL 63 HG22 VAL 63 -0.804 -5.799 0.791 464 HG23 VAL 63 HG23 VAL 63 -1.684 -5.712 -0.738 465 H LYS 64 HN LYS 64 -1.291 -10.683 -1.216 466 HA LYS 64 HA LYS 64 1.306 -10.301 -2.124 467 HB2 LYS 64 HB2 LYS 64 -0.547 -12.635 -2.554 468 HB3 LYS 64 HB1 LYS 64 1.159 -12.666 -2.955 469 HG2 LYS 64 HG2 LYS 64 1.757 -12.359 -0.655 470 HG3 LYS 64 HG1 LYS 64 0.064 -12.138 -0.210 471 HD2 LYS 64 HD2 LYS 64 0.844 -14.393 0.327 472 HD3 LYS 64 HD1 LYS 64 -0.425 -14.426 -0.892 473 HE2 LYS 64 HE2 LYS 64 1.326 -14.626 -2.639 474 HE3 LYS 64 HE1 LYS 64 2.542 -14.708 -1.366 475 HZ1 LYS 64 HZ1 LYS 64 1.534 -16.748 -0.561 476 HZ2 LYS 64 HZ2 LYS 64 1.828 -16.887 -2.234 477 HZ3 LYS 64 HZ3 LYS 64 0.279 -16.585 -1.677 478 H ASN 65 HN ASN 65 -1.426 -9.567 -3.895 479 HA ASN 65 HA ASN 65 -0.324 -10.311 -6.496 480 HB2 ASN 65 HB2 ASN 65 -3.117 -9.499 -5.684 481 HB3 ASN 65 HB1 ASN 65 -2.612 -9.837 -7.332 482 HD21 ASN 65 HD21 ASN 65 -3.472 -11.177 -4.272 483 HD22 ASN 65 HD22 ASN 65 -3.486 -12.833 -4.739 484 H LEU 66 HN LEU 66 0.225 -7.799 -4.626 485 HA LEU 66 HA LEU 66 -0.573 -5.772 -6.568 486 HB2 LEU 66 HB2 LEU 66 0.637 -5.346 -3.833 487 HB3 LEU 66 HB1 LEU 66 -0.024 -4.110 -4.887 488 HG LEU 66 HG LEU 66 -1.497 -6.231 -3.361 489 HD11 LEU 66 HD11 LEU 66 -1.699 -3.240 -3.371 490 HD12 LEU 66 HD12 LEU 66 -0.958 -4.250 -2.126 491 HD13 LEU 66 HD13 LEU 66 -2.695 -4.345 -2.420 492 HD21 LEU 66 HD21 LEU 66 -2.435 -6.140 -5.602 493 HD22 LEU 66 HD22 LEU 66 -2.669 -4.387 -5.440 494 HD23 LEU 66 HD23 LEU 66 -3.533 -5.512 -4.386 495 H LYS 67 HN LYS 67 1.130 -3.925 -6.892 496 HA LYS 67 HA LYS 67 3.827 -4.987 -7.076 497 HB2 LYS 67 HB2 LYS 67 2.676 -5.415 -9.136 498 HB3 LYS 67 HB1 LYS 67 2.096 -3.764 -9.190 499 HG2 LYS 67 HG2 LYS 67 4.521 -3.101 -9.318 500 HG3 LYS 67 HG1 LYS 67 4.840 -4.813 -9.681 501 HD2 LYS 67 HD2 LYS 67 2.996 -4.628 -11.390 502 HD3 LYS 67 HD1 LYS 67 3.088 -2.881 -11.112 503 HE2 LYS 67 HE2 LYS 67 5.322 -4.630 -11.889 504 HE3 LYS 67 HE1 LYS 67 4.346 -3.701 -13.051 505 HZ1 LYS 67 HZ1 LYS 67 6.266 -2.707 -10.996 506 HZ2 LYS 67 HZ2 LYS 67 5.105 -1.690 -11.687 507 HZ3 LYS 67 HZ3 LYS 67 6.256 -2.388 -12.651 508 H THR 68 HN THR 68 2.026 -2.109 -8.245 509 HA THR 68 HA THR 68 3.921 -0.376 -6.822 510 HB THR 68 HB THR 68 3.160 1.386 -8.362 511 HG1 THR 68 HG1 THR 68 1.514 -0.652 -9.538 512 HG21 THR 68 HG21 THR 68 4.998 -0.029 -9.127 513 HG22 THR 68 HG22 THR 68 3.993 0.482 -10.488 514 HG23 THR 68 HG23 THR 68 3.845 -1.154 -9.847 515 H VAL 69 HN VAL 69 2.561 1.887 -6.444 516 HA VAL 69 HA VAL 69 0.308 1.009 -4.908 517 HB VAL 69 HB VAL 69 0.013 3.168 -3.989 518 HG11 VAL 69 HG11 VAL 69 2.935 2.608 -4.153 519 HG12 VAL 69 HG12 VAL 69 1.745 1.953 -3.009 520 HG13 VAL 69 HG13 VAL 69 2.130 3.674 -2.988 521 HG21 VAL 69 HG21 VAL 69 0.252 4.513 -5.950 522 HG22 VAL 69 HG22 VAL 69 1.985 4.195 -5.983 523 HG23 VAL 69 HG23 VAL 69 1.285 5.127 -4.661 524 H GLY 70 HN GLY 70 0.837 1.865 -8.069 525 HA2 GLY 70 HA2 GLY 70 -1.634 3.152 -8.630 526 HA3 GLY 70 HA1 GLY 70 -0.624 2.261 -9.785 527 H ASP 71 HN ASP 71 -0.386 -0.081 -8.677 528 HA ASP 71 HA ASP 71 -2.689 -1.592 -9.186 529 HB2 ASP 71 HB2 ASP 71 -0.372 -2.236 -7.336 530 HB3 ASP 71 HB1 ASP 71 -1.585 -3.391 -7.856 531 H ALA 72 HN ALA 72 -1.174 -0.723 -6.123 532 HA ALA 72 HA ALA 72 -3.031 -1.760 -4.382 533 HB1 ALA 72 HB1 ALA 72 -2.081 -0.344 -2.670 534 HB2 ALA 72 HB2 ALA 72 -1.356 0.695 -3.901 535 HB3 ALA 72 HB3 ALA 72 -0.808 -0.972 -3.715 536 H THR 73 HN THR 73 -2.981 1.555 -5.672 537 HA THR 73 HA THR 73 -5.024 2.603 -4.183 538 HB THR 73 HB THR 73 -4.307 3.278 -7.057 539 HG1 THR 73 HG1 THR 73 -2.604 3.574 -5.620 540 HG21 THR 73 HG21 THR 73 -5.867 4.909 -5.025 541 HG22 THR 73 HG22 THR 73 -6.539 4.188 -6.482 542 HG23 THR 73 HG23 THR 73 -5.359 5.488 -6.606 543 H LYS 74 HN LYS 74 -5.302 1.234 -7.489 544 HA LYS 74 HA LYS 74 -8.117 1.427 -7.637 545 HB2 LYS 74 HB2 LYS 74 -6.120 -0.188 -9.217 546 HB3 LYS 74 HB1 LYS 74 -7.844 -0.296 -9.515 547 HG2 LYS 74 HG2 LYS 74 -6.787 1.161 -11.107 548 HG3 LYS 74 HG1 LYS 74 -7.898 2.066 -10.071 549 HD2 LYS 74 HD2 LYS 74 -6.030 2.934 -8.782 550 HD3 LYS 74 HD1 LYS 74 -4.903 1.937 -9.691 551 HE2 LYS 74 HE2 LYS 74 -6.582 4.170 -10.825 552 HE3 LYS 74 HE1 LYS 74 -4.873 4.281 -10.409 553 HZ1 LYS 74 HZ1 LYS 74 -6.093 2.637 -12.568 554 HZ2 LYS 74 HZ2 LYS 74 -4.530 2.405 -12.013 555 HZ3 LYS 74 HZ3 LYS 74 -4.951 3.884 -12.702 556 H TYR 75 HN TYR 75 -5.947 -0.997 -6.509 557 HA TYR 75 HA TYR 75 -7.765 -3.121 -6.428 558 HB2 TYR 75 HB2 TYR 75 -5.250 -3.190 -6.406 559 HB3 TYR 75 HB1 TYR 75 -5.329 -2.710 -4.721 560 HD1 TYR 75 HD1 TYR 75 -6.119 -5.387 -7.117 561 HD2 TYR 75 HD2 TYR 75 -5.802 -4.242 -3.044 562 HE1 TYR 75 HE1 TYR 75 -6.376 -7.713 -6.467 563 HE2 TYR 75 HE2 TYR 75 -6.064 -6.569 -2.350 564 HH TYR 75 HH TYR 75 -5.977 -9.128 -4.622 565 H ILE 76 HN ILE 76 -6.654 -0.726 -4.124 566 HA ILE 76 HA ILE 76 -8.259 -1.570 -1.896 567 HB ILE 76 HB ILE 76 -6.718 0.963 -2.528 568 HG12 ILE 76 HG12 ILE 76 -6.213 -1.183 -0.462 569 HG13 ILE 76 HG11 ILE 76 -5.433 -1.096 -2.036 570 HG21 ILE 76 HG21 ILE 76 -8.534 1.645 -1.202 571 HG22 ILE 76 HG22 ILE 76 -7.083 1.656 -0.186 572 HG23 ILE 76 HG23 ILE 76 -8.278 0.355 -0.025 573 HD11 ILE 76 HD11 ILE 76 -4.433 1.018 -1.428 574 HD12 ILE 76 HD12 ILE 76 -4.003 -0.253 -0.274 575 HD13 ILE 76 HD13 ILE 76 -5.235 0.954 0.142 576 H LEU 77 HN LEU 77 -8.701 0.778 -4.462 577 HA LEU 77 HA LEU 77 -11.099 1.755 -3.531 578 HB2 LEU 77 HB2 LEU 77 -10.182 1.324 -6.391 579 HB3 LEU 77 HB1 LEU 77 -11.655 2.179 -6.003 580 HG LEU 77 HG LEU 77 -8.912 3.076 -5.115 581 HD11 LEU 77 HD11 LEU 77 -9.087 3.107 -7.559 582 HD12 LEU 77 HD12 LEU 77 -9.098 4.743 -6.897 583 HD13 LEU 77 HD13 LEU 77 -10.603 3.996 -7.437 584 HD21 LEU 77 HD21 LEU 77 -11.586 4.452 -5.187 585 HD22 LEU 77 HD22 LEU 77 -10.056 5.177 -4.695 586 HD23 LEU 77 HD23 LEU 77 -10.760 3.874 -3.741 587 H ASP 78 HN ASP 78 -10.319 -0.994 -5.570 588 HA ASP 78 HA ASP 78 -12.852 -2.067 -6.107 589 HB2 ASP 78 HB2 ASP 78 -10.888 -2.759 -7.337 590 HB3 ASP 78 HB1 ASP 78 -10.144 -3.388 -5.875 591 H HIS 79 HN HIS 79 -10.550 -2.768 -3.536 592 HA HIS 79 HA HIS 79 -12.394 -4.561 -2.274 593 HB2 HIS 79 HB2 HIS 79 -9.562 -3.877 -1.707 594 HB3 HIS 79 HB1 HIS 79 -10.538 -4.651 -0.455 595 HD1 HIS 79 HD1 HIS 79 -11.445 -7.049 -0.947 596 HD2 HIS 79 HD2 HIS 79 -8.900 -5.543 -3.879 597 HE1 HIS 79 HE1 HIS 79 -10.845 -8.985 -2.374 598 HE2 HIS 79 HE2 HIS 79 -9.197 -8.146 -4.010 599 H GLN 80 HN GLN 80 -12.456 -1.380 -2.286 600 HA GLN 80 HA GLN 80 -12.921 -0.667 0.399 601 HB2 GLN 80 HB2 GLN 80 -14.052 0.374 -2.163 602 HB3 GLN 80 HB1 GLN 80 -14.474 1.050 -0.564 603 HG2 GLN 80 HG2 GLN 80 -11.766 0.962 -1.760 604 HG3 GLN 80 HG1 GLN 80 -12.863 2.349 -1.775 605 HE21 GLN 80 HE21 GLN 80 -10.357 2.112 -0.610 606 HE22 GLN 80 HE22 GLN 80 -10.597 2.394 1.094 607 H ALA 81 HN ALA 81 -14.687 -0.738 1.595 608 HA ALA 81 HA ALA 81 -17.196 -1.745 0.704 609 HB1 ALA 81 HB1 ALA 81 -15.977 -3.866 0.907 610 HB2 ALA 81 HB2 ALA 81 -17.188 -3.725 2.180 611 HB3 ALA 81 HB3 ALA 81 -15.485 -3.436 2.547 612 H2 SOO 101 H2A SOO 101 4.237 -4.798 -1.288 613 H3 SOO 101 H3A SOO 101 1.242 -5.221 -1.882 614 H4 SOO 101 H4A SOO 101 2.290 -3.970 0.498 615 H4A SOO 101 H4B SOO 101 2.632 -2.815 -0.792 616 H5 SOO 101 H5A SOO 101 -0.082 -3.962 -0.155 617 H5A SOO 101 H5B SOO 101 0.275 -2.743 -1.377 618 H6 SOO 101 H6A SOO 101 1.104 -1.253 0.434 619 H6A SOO 101 H6B SOO 101 0.565 -2.450 1.610 620 H7 SOO 101 H7A SOO 101 -1.221 -1.031 -0.386 621 H7A SOO 101 H7B SOO 101 -1.102 -0.653 1.340 622 H8 SOO 101 H8C SOO 101 -2.008 -3.272 0.145 623 H8A SOO 101 H8A SOO 101 -3.052 -2.043 0.854 624 H8B SOO 101 H8B SOO 101 -1.900 -2.911 1.868 625 H28 SOO 101 H28A SOO 101 10.916 -10.952 2.792 626 H28A SOO 101 H28B SOO 101 9.880 -9.683 2.140 627 H30 SOO 101 H30A SOO 101 10.387 -10.626 -0.794 628 H30A SOO 101 H30B SOO 101 8.856 -10.028 -0.152 629 H30B SOO 101 H30C SOO 101 8.932 -11.619 -0.907 630 H31 SOO 101 H31A SOO 101 10.172 -13.514 0.303 631 H31A SOO 101 H31B SOO 101 10.931 -13.181 1.857 632 H31B SOO 101 H31C SOO 101 11.605 -12.486 0.382 633 H32 SOO 101 H32A SOO 101 8.691 -12.425 2.753 634 HO33 SOO 101 H33A SOO 101 7.556 -10.278 1.332 635 HN36 SOO 101 H36A SOO 101 6.144 -11.990 2.015 636 H37 SOO 101 H37A SOO 101 5.443 -13.958 -0.103 637 H37A SOO 101 H37B SOO 101 4.809 -14.098 1.524 638 H38 SOO 101 H38A SOO 101 3.128 -13.073 0.323 639 H38A SOO 101 H38B SOO 101 3.855 -11.769 1.301 640 HN41 SOO 101 H41A SOO 101 3.760 -10.002 0.166 641 H42 SOO 101 H42A SOO 101 4.459 -9.956 -2.685 642 H42A SOO 101 H42B SOO 101 3.110 -9.038 -2.021 643 H43 SOO 101 H43A SOO 101 6.022 -8.661 -1.296 644 H43A SOO 101 H43B SOO 101 4.651 -7.800 -0.584 Start of MODEL 3 1 H1 ALA 1 HT1 ALA 1 -16.063 4.791 2.017 2 H2 ALA 1 HT2 ALA 1 -14.717 3.910 2.500 3 H3 ALA 1 HT3 ALA 1 -16.036 3.088 1.805 4 HA ALA 1 HA ALA 1 -14.272 3.291 0.236 5 HB1 ALA 1 HB1 ALA 1 -16.541 3.596 -0.645 6 HB2 ALA 1 HB2 ALA 1 -15.364 4.559 -1.540 7 HB3 ALA 1 HB3 ALA 1 -16.417 5.331 -0.356 8 H ALA 2 HN ALA 2 -12.822 4.627 -0.930 9 HA ALA 2 HA ALA 2 -12.242 7.240 0.224 10 HB1 ALA 2 HB1 ALA 2 -10.232 4.995 -0.065 11 HB2 ALA 2 HB2 ALA 2 -10.847 5.640 1.455 12 HB3 ALA 2 HB3 ALA 2 -9.855 6.654 0.403 13 H THR 3 HN THR 3 -10.270 8.072 -1.137 14 HA THR 3 HA THR 3 -10.815 7.505 -3.970 15 HB THR 3 HB THR 3 -10.086 9.864 -4.367 16 HG1 THR 3 HG1 THR 3 -10.292 10.045 -1.539 17 HG21 THR 3 HG21 THR 3 -12.281 9.570 -2.337 18 HG22 THR 3 HG22 THR 3 -12.485 9.344 -4.086 19 HG23 THR 3 HG23 THR 3 -12.070 10.939 -3.426 20 H GLN 4 HN GLN 4 -8.816 8.288 -5.371 21 HA GLN 4 HA GLN 4 -6.544 6.835 -4.720 22 HB2 GLN 4 HB2 GLN 4 -7.005 7.221 -6.994 23 HB3 GLN 4 HB1 GLN 4 -7.278 8.923 -6.750 24 HG2 GLN 4 HG2 GLN 4 -4.523 7.773 -6.448 25 HG3 GLN 4 HG1 GLN 4 -5.181 8.134 -8.044 26 HE21 GLN 4 HE21 GLN 4 -2.920 9.393 -6.676 27 HE22 GLN 4 HE22 GLN 4 -3.337 11.066 -6.537 28 H GLU 5 HN GLU 5 -7.421 10.144 -4.243 29 HA GLU 5 HA GLU 5 -4.919 11.207 -3.507 30 HB2 GLU 5 HB2 GLU 5 -7.646 12.085 -2.561 31 HB3 GLU 5 HB1 GLU 5 -6.174 13.040 -2.506 32 HG2 GLU 5 HG2 GLU 5 -6.087 13.027 -4.948 33 HG3 GLU 5 HG1 GLU 5 -7.582 12.090 -4.987 34 H GLU 6 HN GLU 6 -7.366 9.502 -1.687 35 HA GLU 6 HA GLU 6 -6.176 10.084 0.830 36 HB2 GLU 6 HB2 GLU 6 -8.374 8.205 0.025 37 HB3 GLU 6 HB1 GLU 6 -7.856 8.454 1.690 38 HG2 GLU 6 HG2 GLU 6 -8.508 10.713 1.661 39 HG3 GLU 6 HG1 GLU 6 -8.724 10.700 -0.087 40 H ILE 7 HN ILE 7 -6.293 7.414 -1.407 41 HA ILE 7 HA ILE 7 -4.985 5.497 0.187 42 HB ILE 7 HB ILE 7 -5.324 5.703 -2.814 43 HG12 ILE 7 HG12 ILE 7 -6.723 4.013 -0.732 44 HG13 ILE 7 HG11 ILE 7 -7.366 5.491 -1.427 45 HG21 ILE 7 HG21 ILE 7 -4.338 3.348 -1.184 46 HG22 ILE 7 HG22 ILE 7 -3.363 4.302 -2.302 47 HG23 ILE 7 HG23 ILE 7 -4.700 3.325 -2.911 48 HD11 ILE 7 HD11 ILE 7 -7.434 4.444 -3.609 49 HD12 ILE 7 HD12 ILE 7 -8.344 3.507 -2.425 50 HD13 ILE 7 HD13 ILE 7 -6.743 2.971 -2.934 51 H VAL 8 HN VAL 8 -3.729 7.379 -2.541 52 HA VAL 8 HA VAL 8 -1.082 6.542 -2.367 53 HB VAL 8 HB VAL 8 -2.269 9.113 -3.464 54 HG11 VAL 8 HG11 VAL 8 0.440 7.900 -3.990 55 HG12 VAL 8 HG12 VAL 8 0.127 9.395 -3.098 56 HG13 VAL 8 HG13 VAL 8 -0.255 9.294 -4.818 57 HG21 VAL 8 HG21 VAL 8 -1.538 6.496 -4.747 58 HG22 VAL 8 HG22 VAL 8 -2.059 7.933 -5.617 59 HG23 VAL 8 HG23 VAL 8 -3.166 7.128 -4.499 60 H ALA 9 HN ALA 9 -2.369 9.703 -1.264 61 HA ALA 9 HA ALA 9 -0.053 10.498 0.091 62 HB1 ALA 9 HB1 ALA 9 -1.431 12.201 1.153 63 HB2 ALA 9 HB2 ALA 9 -2.892 11.347 0.653 64 HB3 ALA 9 HB3 ALA 9 -1.827 12.053 -0.560 65 H GLY 10 HN GLY 10 -2.746 8.522 1.175 66 HA2 GLY 10 HA2 GLY 10 -2.126 8.662 3.955 67 HA3 GLY 10 HA1 GLY 10 -3.211 7.518 3.175 68 H LEU 11 HN LEU 11 -1.488 6.269 1.390 69 HA LEU 11 HA LEU 11 -0.289 4.297 2.851 70 HB2 LEU 11 HB2 LEU 11 -0.349 5.155 0.101 71 HB3 LEU 11 HB1 LEU 11 1.161 4.365 0.495 72 HG LEU 11 HG LEU 11 -1.631 3.228 0.850 73 HD11 LEU 11 HD11 LEU 11 -0.939 3.334 -1.479 74 HD12 LEU 11 HD12 LEU 11 -0.975 1.666 -0.908 75 HD13 LEU 11 HD13 LEU 11 0.566 2.507 -1.083 76 HD21 LEU 11 HD21 LEU 11 -0.129 2.441 2.594 77 HD22 LEU 11 HD22 LEU 11 1.069 1.998 1.393 78 HD23 LEU 11 HD23 LEU 11 -0.474 1.136 1.454 79 H ALA 12 HN ALA 12 1.136 7.171 1.473 80 HA ALA 12 HA ALA 12 3.787 6.558 1.970 81 HB1 ALA 12 HB1 ALA 12 4.258 8.849 1.737 82 HB2 ALA 12 HB2 ALA 12 2.543 9.274 1.937 83 HB3 ALA 12 HB3 ALA 12 3.086 8.332 0.525 84 H GLU 13 HN GLU 13 1.364 7.763 4.161 85 HA GLU 13 HA GLU 13 3.143 8.681 6.170 86 HB2 GLU 13 HB2 GLU 13 0.338 7.606 6.484 87 HB3 GLU 13 HB1 GLU 13 1.214 8.565 7.663 88 HG2 GLU 13 HG2 GLU 13 1.246 10.436 6.047 89 HG3 GLU 13 HG1 GLU 13 0.249 9.463 4.963 90 H ILE 14 HN ILE 14 1.310 5.692 5.775 91 HA ILE 14 HA ILE 14 2.440 4.374 8.020 92 HB ILE 14 HB ILE 14 0.987 3.206 5.608 93 HG12 ILE 14 HG12 ILE 14 -0.836 2.760 7.311 94 HG13 ILE 14 HG11 ILE 14 0.080 3.732 8.448 95 HG21 ILE 14 HG21 ILE 14 0.770 1.126 6.876 96 HG22 ILE 14 HG22 ILE 14 1.807 1.798 8.133 97 HG23 ILE 14 HG23 ILE 14 2.452 1.517 6.515 98 HD11 ILE 14 HD11 ILE 14 -0.203 5.672 6.994 99 HD12 ILE 14 HD12 ILE 14 -1.752 4.977 7.474 100 HD13 ILE 14 HD13 ILE 14 -1.115 4.680 5.856 101 H VAL 15 HN VAL 15 3.196 4.370 4.583 102 HA VAL 15 HA VAL 15 5.234 2.487 4.611 103 HB VAL 15 HB VAL 15 4.831 4.890 2.806 104 HG11 VAL 15 HG11 VAL 15 6.490 3.876 1.303 105 HG12 VAL 15 HG12 VAL 15 6.849 2.652 2.528 106 HG13 VAL 15 HG13 VAL 15 7.201 4.354 2.842 107 HG21 VAL 15 HG21 VAL 15 4.158 3.182 1.179 108 HG22 VAL 15 HG22 VAL 15 3.153 3.135 2.626 109 HG23 VAL 15 HG23 VAL 15 4.413 1.927 2.395 110 H ASN 16 HN ASN 16 5.294 5.908 5.290 111 HA ASN 16 HA ASN 16 8.086 6.190 5.555 112 HB2 ASN 16 HB2 ASN 16 6.425 8.028 5.272 113 HB3 ASN 16 HB1 ASN 16 5.955 7.792 6.948 114 HD21 ASN 16 HD21 ASN 16 8.457 8.743 4.813 115 HD22 ASN 16 HD22 ASN 16 9.362 9.701 5.933 116 H GLU 17 HN GLU 17 5.627 5.129 7.763 117 HA GLU 17 HA GLU 17 7.198 5.297 10.143 118 HB2 GLU 17 HB2 GLU 17 4.787 3.563 9.580 119 HB3 GLU 17 HB1 GLU 17 5.432 3.966 11.162 120 HG2 GLU 17 HG2 GLU 17 4.256 5.920 9.205 121 HG3 GLU 17 HG1 GLU 17 3.416 5.229 10.588 122 H ILE 18 HN ILE 18 6.018 2.565 8.306 123 HA ILE 18 HA ILE 18 7.642 0.694 9.740 124 HB ILE 18 HB ILE 18 5.754 0.312 7.411 125 HG12 ILE 18 HG12 ILE 18 5.409 -0.032 10.399 126 HG13 ILE 18 HG11 ILE 18 4.777 1.301 9.447 127 HG21 ILE 18 HG21 ILE 18 6.961 -1.704 9.325 128 HG22 ILE 18 HG22 ILE 18 7.368 -1.549 7.617 129 HG23 ILE 18 HG23 ILE 18 5.746 -2.050 8.095 130 HD11 ILE 18 HD11 ILE 18 3.995 -1.584 9.203 131 HD12 ILE 18 HD12 ILE 18 3.352 -0.254 8.240 132 HD13 ILE 18 HD13 ILE 18 3.061 -0.306 9.979 133 H ALA 19 HN ALA 19 7.613 1.840 6.350 134 HA ALA 19 HA ALA 19 9.942 0.182 5.804 135 HB1 ALA 19 HB1 ALA 19 9.626 0.813 3.484 136 HB2 ALA 19 HB2 ALA 19 8.370 1.966 3.963 137 HB3 ALA 19 HB3 ALA 19 8.115 0.236 4.201 138 H GLY 20 HN GLY 20 9.076 3.575 6.008 139 HA2 GLY 20 HA2 GLY 20 10.566 5.266 6.754 140 HA3 GLY 20 HA1 GLY 20 11.917 4.223 6.328 141 H ILE 21 HN ILE 21 9.231 4.913 4.225 142 HA ILE 21 HA ILE 21 11.112 6.216 2.388 143 HB ILE 21 HB ILE 21 8.479 4.797 1.870 144 HG12 ILE 21 HG12 ILE 21 10.313 3.267 2.354 145 HG13 ILE 21 HG11 ILE 21 9.815 3.133 0.675 146 HG21 ILE 21 HG21 ILE 21 8.675 6.628 0.306 147 HG22 ILE 21 HG22 ILE 21 8.886 5.083 -0.522 148 HG23 ILE 21 HG23 ILE 21 10.290 6.088 -0.155 149 HD11 ILE 21 HD11 ILE 21 12.236 3.026 0.909 150 HD12 ILE 21 HD12 ILE 21 12.239 4.613 1.680 151 HD13 ILE 21 HD13 ILE 21 11.750 4.453 -0.006 152 HA PRO 22 HA PRO 22 9.527 10.261 3.145 153 HB2 PRO 22 HB2 PRO 22 9.329 10.701 0.279 154 HB3 PRO 22 HB1 PRO 22 10.435 11.421 1.444 155 HG2 PRO 22 HG2 PRO 22 10.876 9.205 -0.389 156 HG3 PRO 22 HG1 PRO 22 12.060 10.113 0.561 157 HD2 PRO 22 HD2 PRO 22 11.379 7.502 1.024 158 HD3 PRO 22 HD1 PRO 22 11.997 8.582 2.283 159 H VAL 23 HN VAL 23 7.650 11.319 3.234 160 HA VAL 23 HA VAL 23 5.227 9.827 2.666 161 HB VAL 23 HB VAL 23 4.063 11.689 3.840 162 HG11 VAL 23 HG11 VAL 23 6.481 10.636 5.288 163 HG12 VAL 23 HG12 VAL 23 4.931 9.812 5.127 164 HG13 VAL 23 HG13 VAL 23 5.039 11.318 6.041 165 HG21 VAL 23 HG21 VAL 23 5.440 13.462 4.890 166 HG22 VAL 23 HG22 VAL 23 5.490 13.486 3.116 167 HG23 VAL 23 HG23 VAL 23 6.839 12.813 4.010 168 H GLU 24 HN GLU 24 6.808 11.146 0.536 169 HA GLU 24 HA GLU 24 4.584 12.471 -0.863 170 HB2 GLU 24 HB2 GLU 24 6.183 14.127 -1.725 171 HB3 GLU 24 HB1 GLU 24 6.071 14.203 0.029 172 HG2 GLU 24 HG2 GLU 24 8.134 12.876 0.209 173 HG3 GLU 24 HG1 GLU 24 8.249 12.849 -1.548 174 H ASP 25 HN ASP 25 6.502 9.907 -0.708 175 HA ASP 25 HA ASP 25 7.440 10.021 -3.479 176 HB2 ASP 25 HB2 ASP 25 9.173 10.034 -1.799 177 HB3 ASP 25 HB1 ASP 25 8.556 8.558 -1.099 178 H VAL 26 HN VAL 26 5.166 8.517 -1.484 179 HA VAL 26 HA VAL 26 5.302 5.994 -2.885 180 HB VAL 26 HB VAL 26 3.453 6.925 -0.646 181 HG11 VAL 26 HG11 VAL 26 2.498 5.090 -1.950 182 HG12 VAL 26 HG12 VAL 26 2.953 4.548 -0.334 183 HG13 VAL 26 HG13 VAL 26 3.974 4.154 -1.718 184 HG21 VAL 26 HG21 VAL 26 4.851 5.564 0.836 185 HG22 VAL 26 HG22 VAL 26 5.758 6.883 0.094 186 HG23 VAL 26 HG23 VAL 26 5.944 5.236 -0.511 187 H LYS 27 HN LYS 27 4.918 7.111 -4.787 188 HA LYS 27 HA LYS 27 2.258 8.254 -5.152 189 HB2 LYS 27 HB2 LYS 27 4.755 8.505 -6.820 190 HB3 LYS 27 HB1 LYS 27 3.194 9.237 -7.177 191 HG2 LYS 27 HG2 LYS 27 3.305 10.568 -5.159 192 HG3 LYS 27 HG1 LYS 27 4.845 9.821 -4.735 193 HD2 LYS 27 HD2 LYS 27 5.139 12.041 -5.757 194 HD3 LYS 27 HD1 LYS 27 5.878 10.763 -6.724 195 HE2 LYS 27 HE2 LYS 27 4.710 12.323 -8.167 196 HE3 LYS 27 HE1 LYS 27 3.906 10.758 -8.191 197 HZ1 LYS 27 HZ1 LYS 27 3.045 13.165 -6.687 198 HZ2 LYS 27 HZ2 LYS 27 2.278 11.688 -6.567 199 HZ3 LYS 27 HZ3 LYS 27 2.288 12.526 -8.042 200 H LEU 28 HN LEU 28 1.370 7.926 -7.391 201 HA LEU 28 HA LEU 28 0.476 5.403 -7.667 202 HB2 LEU 28 HB2 LEU 28 0.623 7.561 -9.742 203 HB3 LEU 28 HB1 LEU 28 -0.175 6.031 -10.043 204 HG LEU 28 HG LEU 28 -0.943 7.961 -7.835 205 HD11 LEU 28 HD11 LEU 28 -2.934 8.395 -9.169 206 HD12 LEU 28 HD12 LEU 28 -2.302 7.376 -10.461 207 HD13 LEU 28 HD13 LEU 28 -1.473 8.882 -10.035 208 HD21 LEU 28 HD21 LEU 28 -2.286 5.458 -8.845 209 HD22 LEU 28 HD22 LEU 28 -2.917 6.546 -7.605 210 HD23 LEU 28 HD23 LEU 28 -1.440 5.633 -7.309 211 H ASP 29 HN ASP 29 3.201 6.619 -9.685 212 HA ASP 29 HA ASP 29 3.504 3.800 -10.361 213 HB2 ASP 29 HB2 ASP 29 3.245 5.301 -12.332 214 HB3 ASP 29 HB1 ASP 29 4.751 6.100 -11.882 215 H LYS 30 HN LYS 30 4.241 3.816 -8.142 216 HA LYS 30 HA LYS 30 7.160 3.700 -8.139 217 HB2 LYS 30 HB2 LYS 30 5.302 4.552 -5.891 218 HB3 LYS 30 HB1 LYS 30 7.030 4.276 -5.712 219 HG2 LYS 30 HG2 LYS 30 5.875 6.337 -7.575 220 HG3 LYS 30 HG1 LYS 30 6.321 6.676 -5.899 221 HD2 LYS 30 HD2 LYS 30 8.219 5.518 -7.932 222 HD3 LYS 30 HD1 LYS 30 8.070 7.251 -7.608 223 HE2 LYS 30 HE2 LYS 30 8.628 6.906 -5.310 224 HE3 LYS 30 HE1 LYS 30 8.683 5.169 -5.537 225 HZ1 LYS 30 HZ1 LYS 30 10.525 7.064 -6.919 226 HZ2 LYS 30 HZ2 LYS 30 10.548 5.374 -6.980 227 HZ3 LYS 30 HZ3 LYS 30 10.892 6.165 -5.528 228 H SER 31 HN SER 31 7.796 1.649 -7.599 229 HA SER 31 HA SER 31 5.671 -0.281 -7.191 230 HB2 SER 31 HB2 SER 31 7.386 -0.578 -8.976 231 HB3 SER 31 HB1 SER 31 8.625 -0.680 -7.731 232 HG SER 31 HG SER 31 8.084 -2.707 -7.383 233 H PHE 32 HN PHE 32 5.428 -1.505 -5.385 234 HA PHE 32 HA PHE 32 6.756 -0.769 -2.954 235 HB2 PHE 32 HB2 PHE 32 5.118 -3.252 -3.482 236 HB3 PHE 32 HB1 PHE 32 5.581 -2.614 -1.937 237 HD1 PHE 32 HD1 PHE 32 4.705 -0.245 -1.345 238 HD2 PHE 32 HD2 PHE 32 3.011 -2.776 -4.294 239 HE1 PHE 32 HE1 PHE 32 2.558 0.940 -1.121 240 HE2 PHE 32 HE2 PHE 32 0.869 -1.597 -4.097 241 HZ PHE 32 HZ PHE 32 0.638 0.264 -2.503 242 H THR 33 HN THR 33 7.888 -2.340 -1.788 243 HA THR 33 HA THR 33 9.870 -3.441 -1.542 244 HB THR 33 HB THR 33 9.895 -5.802 -2.493 245 HG1 THR 33 HG1 THR 33 8.060 -4.781 -4.159 246 HG21 THR 33 HG21 THR 33 8.880 -5.323 -0.321 247 HG22 THR 33 HG22 THR 33 7.972 -6.578 -1.163 248 HG23 THR 33 HG23 THR 33 7.353 -4.927 -1.107 249 H ASP 34 HN ASP 34 9.818 -1.511 -3.744 250 HA ASP 34 HA ASP 34 12.335 -2.299 -5.006 251 HB2 ASP 34 HB2 ASP 34 9.939 -1.267 -6.568 252 HB3 ASP 34 HB1 ASP 34 11.575 -1.317 -7.200 253 H ASP 35 HN ASP 35 10.044 0.330 -5.550 254 HA ASP 35 HA ASP 35 12.041 2.377 -5.202 255 HB2 ASP 35 HB2 ASP 35 9.024 2.481 -5.403 256 HB3 ASP 35 HB1 ASP 35 10.054 3.893 -5.311 257 H LEU 36 HN LEU 36 9.116 1.358 -3.701 258 HA LEU 36 HA LEU 36 9.354 3.108 -1.407 259 HB2 LEU 36 HB2 LEU 36 7.364 0.955 -1.918 260 HB3 LEU 36 HB1 LEU 36 7.194 2.381 -0.918 261 HG LEU 36 HG LEU 36 7.402 2.391 -3.911 262 HD11 LEU 36 HD11 LEU 36 5.055 2.716 -2.091 263 HD12 LEU 36 HD12 LEU 36 5.484 1.292 -3.020 264 HD13 LEU 36 HD13 LEU 36 5.033 2.792 -3.874 265 HD21 LEU 36 HD21 LEU 36 6.686 4.717 -3.694 266 HD22 LEU 36 HD22 LEU 36 8.227 4.428 -2.887 267 HD23 LEU 36 HD23 LEU 36 6.747 4.576 -1.932 268 H ASP 37 HN ASP 37 10.792 0.418 -2.162 269 HA ASP 37 HA ASP 37 10.830 -1.834 -1.058 270 HB2 ASP 37 HB2 ASP 37 13.006 -0.805 -1.517 271 HB3 ASP 37 HB1 ASP 37 12.955 0.016 0.041 272 H VAL 38 HN VAL 38 9.592 -2.742 0.419 273 HA VAL 38 HA VAL 38 8.917 -1.020 2.682 274 HB VAL 38 HB VAL 38 7.152 -3.252 1.643 275 HG11 VAL 38 HG11 VAL 38 6.547 -0.742 3.188 276 HG12 VAL 38 HG12 VAL 38 6.619 -2.380 3.837 277 HG13 VAL 38 HG13 VAL 38 5.365 -1.947 2.671 278 HG21 VAL 38 HG21 VAL 38 5.895 -1.595 0.340 279 HG22 VAL 38 HG22 VAL 38 7.545 -1.789 -0.258 280 HG23 VAL 38 HG23 VAL 38 7.119 -0.380 0.715 281 H ASP 39 HN ASP 39 11.201 -2.563 2.732 282 HA ASP 39 HA ASP 39 12.426 -3.823 4.148 283 HB2 ASP 39 HB2 ASP 39 11.284 -2.531 5.870 284 HB3 ASP 39 HB1 ASP 39 9.936 -3.652 5.859 285 H SER 40 HN SER 40 9.969 -4.969 2.575 286 HA SER 40 HA SER 40 9.203 -6.834 1.713 287 HB2 SER 40 HB2 SER 40 10.647 -8.645 1.305 288 HB3 SER 40 HB1 SER 40 11.630 -7.190 1.278 289 H LEU 41 HN LEU 41 10.345 -7.574 4.947 290 HA LEU 41 HA LEU 41 8.232 -9.527 5.105 291 HB2 LEU 41 HB2 LEU 41 9.106 -10.118 7.354 292 HB3 LEU 41 HB1 LEU 41 10.262 -10.289 6.058 293 HG LEU 41 HG LEU 41 11.158 -7.990 6.854 294 HD11 LEU 41 HD11 LEU 41 9.671 -8.841 9.327 295 HD12 LEU 41 HD12 LEU 41 9.347 -7.417 8.338 296 HD13 LEU 41 HD13 LEU 41 10.864 -7.541 9.230 297 HD21 LEU 41 HD21 LEU 41 12.596 -9.087 8.492 298 HD22 LEU 41 HD22 LEU 41 12.379 -10.066 7.040 299 HD23 LEU 41 HD23 LEU 41 11.502 -10.468 8.518 300 H SER 42 HN SER 42 8.921 -6.427 6.681 301 HA SER 42 HA SER 42 6.608 -6.617 8.308 302 HB2 SER 42 HB2 SER 42 7.086 -4.229 8.902 303 HB3 SER 42 HB1 SER 42 8.407 -5.360 9.230 304 HG SER 42 HG SER 42 9.517 -4.541 7.614 305 H MET 43 HN MET 43 6.966 -5.862 5.150 306 HA MET 43 HA MET 43 5.281 -3.819 4.693 307 HB2 MET 43 HB2 MET 43 4.788 -4.857 2.373 308 HB3 MET 43 HB1 MET 43 6.443 -4.616 2.833 309 HG2 MET 43 HG2 MET 43 6.045 -6.686 1.642 310 HG3 MET 43 HG1 MET 43 6.772 -6.908 3.222 311 HE1 MET 43 HE1 MET 43 3.585 -7.391 1.032 312 HE2 MET 43 HE2 MET 43 2.971 -6.285 2.281 313 HE3 MET 43 HE3 MET 43 2.415 -7.964 2.213 314 H VAL 44 HN VAL 44 4.263 -6.976 5.714 315 HA VAL 44 HA VAL 44 1.504 -6.800 5.084 316 HB VAL 44 HB VAL 44 2.809 -8.314 7.387 317 HG11 VAL 44 HG11 VAL 44 0.416 -7.995 7.788 318 HG12 VAL 44 HG12 VAL 44 0.765 -9.683 7.419 319 HG13 VAL 44 HG13 VAL 44 0.052 -8.640 6.187 320 HG21 VAL 44 HG21 VAL 44 1.957 -9.254 4.652 321 HG22 VAL 44 HG22 VAL 44 2.610 -10.278 5.930 322 HG23 VAL 44 HG23 VAL 44 3.618 -9.026 5.196 323 H GLU 45 HN GLU 45 3.406 -5.517 7.689 324 HA GLU 45 HA GLU 45 1.230 -4.794 9.329 325 HB2 GLU 45 HB2 GLU 45 4.050 -3.689 9.242 326 HB3 GLU 45 HB1 GLU 45 2.904 -3.464 10.560 327 HG2 GLU 45 HG2 GLU 45 2.848 -5.899 10.906 328 HG3 GLU 45 HG1 GLU 45 4.016 -6.087 9.620 329 H VAL 46 HN VAL 46 3.157 -3.098 6.852 330 HA VAL 46 HA VAL 46 1.801 -0.669 6.836 331 HB VAL 46 HB VAL 46 2.830 -2.194 4.408 332 HG11 VAL 46 HG11 VAL 46 1.278 -0.396 3.724 333 HG12 VAL 46 HG12 VAL 46 2.928 0.013 3.273 334 HG13 VAL 46 HG13 VAL 46 2.188 0.769 4.674 335 HG21 VAL 46 HG21 VAL 46 4.144 -0.081 6.108 336 HG22 VAL 46 HG22 VAL 46 4.823 -0.797 4.646 337 HG23 VAL 46 HG23 VAL 46 4.553 -1.794 6.074 338 H VAL 47 HN VAL 47 1.000 -3.645 5.092 339 HA VAL 47 HA VAL 47 -1.393 -2.858 3.843 340 HB VAL 47 HB VAL 47 -0.848 -5.584 5.059 341 HG11 VAL 47 HG11 VAL 47 -3.145 -5.276 4.327 342 HG12 VAL 47 HG12 VAL 47 -2.301 -6.409 3.271 343 HG13 VAL 47 HG13 VAL 47 -2.582 -4.752 2.740 344 HG21 VAL 47 HG21 VAL 47 -0.079 -4.530 2.346 345 HG22 VAL 47 HG22 VAL 47 0.086 -6.200 2.885 346 HG23 VAL 47 HG23 VAL 47 1.023 -4.925 3.666 347 H VAL 48 HN VAL 48 -1.074 -4.469 7.006 348 HA VAL 48 HA VAL 48 -3.761 -4.372 7.756 349 HB VAL 48 HB VAL 48 -1.328 -4.234 9.566 350 HG11 VAL 48 HG11 VAL 48 -2.798 -5.142 11.296 351 HG12 VAL 48 HG12 VAL 48 -4.166 -5.036 10.189 352 HG13 VAL 48 HG13 VAL 48 -3.356 -3.565 10.736 353 HG21 VAL 48 HG21 VAL 48 -1.309 -6.186 8.108 354 HG22 VAL 48 HG22 VAL 48 -2.945 -6.598 8.620 355 HG23 VAL 48 HG23 VAL 48 -1.616 -6.657 9.779 356 H ALA 49 HN ALA 49 -1.238 -1.963 8.244 357 HA ALA 49 HA ALA 49 -2.912 -0.193 9.722 358 HB1 ALA 49 HB1 ALA 49 -0.478 -0.185 10.018 359 HB2 ALA 49 HB2 ALA 49 -1.077 1.406 9.539 360 HB3 ALA 49 HB3 ALA 49 -0.280 0.369 8.356 361 H ALA 50 HN ALA 50 -2.199 -0.693 6.367 362 HA ALA 50 HA ALA 50 -3.406 1.713 5.437 363 HB1 ALA 50 HB1 ALA 50 -2.975 -0.916 3.998 364 HB2 ALA 50 HB2 ALA 50 -1.838 0.433 4.032 365 HB3 ALA 50 HB3 ALA 50 -3.401 0.617 3.237 366 H GLU 51 HN GLU 51 -4.485 -1.570 6.101 367 HA GLU 51 HA GLU 51 -7.082 -1.377 5.215 368 HB2 GLU 51 HB2 GLU 51 -6.085 -2.833 7.676 369 HB3 GLU 51 HB1 GLU 51 -7.676 -3.056 6.975 370 HG2 GLU 51 HG2 GLU 51 -6.600 -3.900 4.911 371 HG3 GLU 51 HG1 GLU 51 -5.038 -3.719 5.712 372 H GLU 52 HN GLU 52 -5.609 -0.547 8.235 373 HA GLU 52 HA GLU 52 -7.776 0.495 9.649 374 HB2 GLU 52 HB2 GLU 52 -5.656 -0.096 10.643 375 HB3 GLU 52 HB1 GLU 52 -4.836 1.122 9.694 376 HG2 GLU 52 HG2 GLU 52 -6.089 2.852 10.915 377 HG3 GLU 52 HG1 GLU 52 -6.800 1.580 11.911 378 H ARG 53 HN ARG 53 -5.313 2.046 7.684 379 HA ARG 53 HA ARG 53 -5.990 4.702 7.984 380 HB2 ARG 53 HB2 ARG 53 -3.848 3.822 7.181 381 HB3 ARG 53 HB1 ARG 53 -4.610 3.370 5.666 382 HG2 ARG 53 HG2 ARG 53 -3.330 5.407 5.446 383 HG3 ARG 53 HG1 ARG 53 -5.050 5.714 5.192 384 HD2 ARG 53 HD2 ARG 53 -5.248 6.544 7.470 385 HD3 ARG 53 HD1 ARG 53 -3.536 6.204 7.748 386 HE ARG 53 HE ARG 53 -2.983 8.075 6.557 387 HH11 ARG 53 HH11 ARG 53 -6.464 7.488 6.168 388 HH12 ARG 53 HH12 ARG 53 -6.737 8.975 5.399 389 HH21 ARG 53 HH21 ARG 53 -3.365 10.018 5.606 390 HH22 ARG 53 HH22 ARG 53 -4.923 10.515 5.058 391 H PHE 54 HN PHE 54 -7.062 2.455 5.423 392 HA PHE 54 HA PHE 54 -8.698 4.658 4.292 393 HB2 PHE 54 HB2 PHE 54 -8.182 2.018 2.937 394 HB3 PHE 54 HB1 PHE 54 -8.691 3.536 2.215 395 HD1 PHE 54 HD1 PHE 54 -6.847 5.504 2.905 396 HD2 PHE 54 HD2 PHE 54 -6.154 1.359 2.324 397 HE1 PHE 54 HE1 PHE 54 -4.501 5.986 2.385 398 HE2 PHE 54 HE2 PHE 54 -3.783 1.831 1.799 399 HZ PHE 54 HZ PHE 54 -2.960 4.148 1.843 400 H ASP 55 HN ASP 55 -9.070 2.306 6.447 401 HA ASP 55 HA ASP 55 -10.704 1.026 7.279 402 HB2 ASP 55 HB2 ASP 55 -12.171 3.018 7.075 403 HB3 ASP 55 HB1 ASP 55 -12.542 2.595 5.410 404 H VAL 56 HN VAL 56 -9.288 0.439 4.703 405 HA VAL 56 HA VAL 56 -11.101 -1.282 3.259 406 HB VAL 56 HB VAL 56 -9.230 0.086 2.135 407 HG11 VAL 56 HG11 VAL 56 -7.027 -0.910 1.919 408 HG12 VAL 56 HG12 VAL 56 -7.455 -2.127 3.088 409 HG13 VAL 56 HG13 VAL 56 -7.365 -0.424 3.590 410 HG21 VAL 56 HG21 VAL 56 -9.367 -2.852 1.471 411 HG22 VAL 56 HG22 VAL 56 -8.729 -1.596 0.406 412 HG23 VAL 56 HG23 VAL 56 -10.432 -1.585 0.864 413 H LYS 57 HN LYS 57 -9.950 -3.494 2.693 414 HA LYS 57 HA LYS 57 -8.763 -4.753 5.012 415 HB2 LYS 57 HB2 LYS 57 -11.313 -5.769 3.686 416 HB3 LYS 57 HB1 LYS 57 -10.278 -6.777 4.667 417 HG2 LYS 57 HG2 LYS 57 -12.078 -6.175 6.049 418 HG3 LYS 57 HG1 LYS 57 -10.739 -5.158 6.569 419 HD2 LYS 57 HD2 LYS 57 -11.675 -3.321 5.192 420 HD3 LYS 57 HD1 LYS 57 -13.049 -4.355 4.802 421 HE2 LYS 57 HE2 LYS 57 -13.622 -4.503 7.160 422 HE3 LYS 57 HE1 LYS 57 -12.223 -3.513 7.571 423 HZ1 LYS 57 HZ1 LYS 57 -13.204 -1.683 6.314 424 HZ2 LYS 57 HZ2 LYS 57 -14.260 -2.212 7.531 425 HZ3 LYS 57 HZ3 LYS 57 -14.532 -2.648 5.922 426 H ILE 58 HN ILE 58 -7.064 -5.769 4.251 427 HA ILE 58 HA ILE 58 -7.214 -7.081 1.650 428 HB ILE 58 HB ILE 58 -4.785 -5.359 2.270 429 HG12 ILE 58 HG12 ILE 58 -7.074 -4.556 0.441 430 HG13 ILE 58 HG11 ILE 58 -6.773 -3.843 2.023 431 HG21 ILE 58 HG21 ILE 58 -4.549 -7.212 0.674 432 HG22 ILE 58 HG22 ILE 58 -4.384 -5.646 -0.136 433 HG23 ILE 58 HG23 ILE 58 -5.896 -6.548 -0.262 434 HD11 ILE 58 HD11 ILE 58 -4.921 -3.736 -0.347 435 HD12 ILE 58 HD12 ILE 58 -4.612 -3.024 1.234 436 HD13 ILE 58 HD13 ILE 58 -5.940 -2.423 0.244 437 HA PRO 59 HA PRO 59 -5.063 -9.775 4.572 438 HB2 PRO 59 HB2 PRO 59 -5.547 -11.867 2.593 439 HB3 PRO 59 HB1 PRO 59 -6.181 -11.719 4.235 440 HG2 PRO 59 HG2 PRO 59 -7.716 -11.444 2.005 441 HG3 PRO 59 HG1 PRO 59 -8.076 -10.668 3.555 442 HD2 PRO 59 HD2 PRO 59 -6.851 -9.501 1.091 443 HD3 PRO 59 HD1 PRO 59 -7.990 -8.782 2.245 444 H ASP 60 HN ASP 60 -3.112 -11.075 4.370 445 HA ASP 60 HA ASP 60 -1.313 -9.981 2.508 446 HB2 ASP 60 HB2 ASP 60 0.409 -11.496 3.336 447 HB3 ASP 60 HB1 ASP 60 -0.421 -10.685 4.658 448 H ASP 61 HN ASP 61 -3.392 -12.609 2.215 449 HA ASP 61 HA ASP 61 -2.083 -14.001 0.101 450 HB2 ASP 61 HB2 ASP 61 -3.985 -15.027 1.215 451 HB3 ASP 61 HB1 ASP 61 -5.030 -13.692 0.753 452 H ASP 62 HN ASP 62 -4.177 -11.233 0.279 453 HA ASP 62 HA ASP 62 -4.540 -10.889 -2.523 454 HB2 ASP 62 HB2 ASP 62 -5.245 -9.307 -0.101 455 HB3 ASP 62 HB1 ASP 62 -5.267 -8.518 -1.672 456 H VAL 63 HN VAL 63 -2.526 -9.308 -0.077 457 HA VAL 63 HA VAL 63 -1.609 -7.234 -1.704 458 HB VAL 63 HB VAL 63 -1.394 -7.235 0.763 459 HG11 VAL 63 HG11 VAL 63 0.961 -9.048 0.340 460 HG12 VAL 63 HG12 VAL 63 -0.583 -9.512 1.035 461 HG13 VAL 63 HG13 VAL 63 0.438 -8.338 1.874 462 HG21 VAL 63 HG21 VAL 63 -0.188 -5.584 -0.470 463 HG22 VAL 63 HG22 VAL 63 1.138 -6.709 -0.767 464 HG23 VAL 63 HG23 VAL 63 0.817 -6.133 0.869 465 H LYS 64 HN LYS 64 -0.638 -10.508 -1.686 466 HA LYS 64 HA LYS 64 1.937 -10.365 -2.715 467 HB2 LYS 64 HB2 LYS 64 -0.181 -12.449 -3.277 468 HB3 LYS 64 HB1 LYS 64 1.531 -12.635 -3.616 469 HG2 LYS 64 HG2 LYS 64 2.018 -12.464 -1.247 470 HG3 LYS 64 HG1 LYS 64 0.302 -12.245 -0.904 471 HD2 LYS 64 HD2 LYS 64 -0.145 -14.460 -1.879 472 HD3 LYS 64 HD1 LYS 64 1.588 -14.680 -2.142 473 HE2 LYS 64 HE2 LYS 64 0.242 -14.258 0.526 474 HE3 LYS 64 HE1 LYS 64 0.814 -15.804 -0.101 475 HZ1 LYS 64 HZ1 LYS 64 2.368 -14.721 1.480 476 HZ2 LYS 64 HZ2 LYS 64 2.585 -13.457 0.408 477 HZ3 LYS 64 HZ3 LYS 64 3.066 -15.008 -0.021 478 H ASN 65 HN ASN 65 -1.027 -9.485 -4.138 479 HA ASN 65 HA ASN 65 -0.126 -9.911 -6.892 480 HB2 ASN 65 HB2 ASN 65 -2.860 -9.166 -5.831 481 HB3 ASN 65 HB1 ASN 65 -2.461 -9.460 -7.519 482 HD21 ASN 65 HD21 ASN 65 -3.037 -10.879 -4.420 483 HD22 ASN 65 HD22 ASN 65 -3.106 -12.526 -4.952 484 H LEU 66 HN LEU 66 0.398 -7.604 -4.748 485 HA LEU 66 HA LEU 66 -0.456 -5.385 -6.411 486 HB2 LEU 66 HB2 LEU 66 0.681 -5.521 -3.644 487 HB3 LEU 66 HB1 LEU 66 0.486 -3.997 -4.474 488 HG LEU 66 HG LEU 66 -1.702 -5.931 -3.695 489 HD11 LEU 66 HD11 LEU 66 -2.446 -4.134 -2.250 490 HD12 LEU 66 HD12 LEU 66 -1.084 -3.136 -2.768 491 HD13 LEU 66 HD13 LEU 66 -0.795 -4.621 -1.860 492 HD21 LEU 66 HD21 LEU 66 -1.889 -3.306 -5.164 493 HD22 LEU 66 HD22 LEU 66 -3.251 -4.270 -4.586 494 HD23 LEU 66 HD23 LEU 66 -2.191 -4.904 -5.845 495 H LYS 67 HN LYS 67 1.099 -3.610 -6.777 496 HA LYS 67 HA LYS 67 3.839 -4.390 -6.801 497 HB2 LYS 67 HB2 LYS 67 4.281 -4.030 -9.191 498 HB3 LYS 67 HB1 LYS 67 3.173 -5.369 -8.954 499 HG2 LYS 67 HG2 LYS 67 2.411 -2.595 -9.862 500 HG3 LYS 67 HG1 LYS 67 2.720 -3.949 -10.936 501 HD2 LYS 67 HD2 LYS 67 0.503 -3.686 -8.900 502 HD3 LYS 67 HD1 LYS 67 0.344 -3.600 -10.644 503 HE2 LYS 67 HE2 LYS 67 1.167 -5.953 -10.798 504 HE3 LYS 67 HE1 LYS 67 1.132 -6.029 -9.038 505 HZ1 LYS 67 HZ1 LYS 67 -1.328 -5.521 -9.197 506 HZ2 LYS 67 HZ2 LYS 67 -0.876 -6.988 -9.866 507 HZ3 LYS 67 HZ3 LYS 67 -1.184 -5.680 -10.870 508 H THR 68 HN THR 68 1.829 -1.846 -8.357 509 HA THR 68 HA THR 68 3.577 0.030 -6.977 510 HB THR 68 HB THR 68 2.756 1.655 -8.695 511 HG1 THR 68 HG1 THR 68 1.725 0.757 -10.518 512 HG21 THR 68 HG21 THR 68 4.096 0.765 -10.558 513 HG22 THR 68 HG22 THR 68 4.078 -0.832 -9.803 514 HG23 THR 68 HG23 THR 68 4.903 0.510 -9.010 515 H VAL 69 HN VAL 69 2.219 2.193 -6.546 516 HA VAL 69 HA VAL 69 -0.065 1.205 -5.159 517 HB VAL 69 HB VAL 69 -0.375 3.201 -4.017 518 HG11 VAL 69 HG11 VAL 69 1.763 3.839 -3.103 519 HG12 VAL 69 HG12 VAL 69 2.557 2.908 -4.382 520 HG13 VAL 69 HG13 VAL 69 1.495 2.102 -3.216 521 HG21 VAL 69 HG21 VAL 69 0.689 5.335 -4.538 522 HG22 VAL 69 HG22 VAL 69 -0.436 4.772 -5.769 523 HG23 VAL 69 HG23 VAL 69 1.304 4.631 -6.038 524 H GLY 70 HN GLY 70 0.487 2.316 -8.197 525 HA2 GLY 70 HA2 GLY 70 -1.964 3.589 -8.758 526 HA3 GLY 70 HA1 GLY 70 -0.932 2.761 -9.926 527 H ASP 71 HN ASP 71 -0.863 0.245 -9.039 528 HA ASP 71 HA ASP 71 -3.422 -0.784 -9.746 529 HB2 ASP 71 HB2 ASP 71 -1.105 -1.956 -10.046 530 HB3 ASP 71 HB1 ASP 71 -1.300 -2.359 -8.336 531 H ALA 72 HN ALA 72 -1.583 -0.429 -6.772 532 HA ALA 72 HA ALA 72 -3.278 -1.783 -5.032 533 HB1 ALA 72 HB1 ALA 72 -2.181 -0.640 -3.227 534 HB2 ALA 72 HB2 ALA 72 -1.583 0.597 -4.324 535 HB3 ALA 72 HB3 ALA 72 -0.984 -1.061 -4.454 536 H THR 73 HN THR 73 -3.349 1.608 -6.036 537 HA THR 73 HA THR 73 -5.299 2.550 -4.347 538 HB THR 73 HB THR 73 -4.734 3.271 -7.241 539 HG1 THR 73 HG1 THR 73 -3.051 3.758 -5.853 540 HG21 THR 73 HG21 THR 73 -5.959 5.360 -6.842 541 HG22 THR 73 HG22 THR 73 -6.398 4.803 -5.232 542 HG23 THR 73 HG23 THR 73 -7.029 3.968 -6.655 543 H LYS 74 HN LYS 74 -5.733 1.156 -7.591 544 HA LYS 74 HA LYS 74 -8.575 1.279 -7.512 545 HB2 LYS 74 HB2 LYS 74 -6.894 -0.489 -9.289 546 HB3 LYS 74 HB1 LYS 74 -8.523 0.105 -9.600 547 HG2 LYS 74 HG2 LYS 74 -5.996 1.717 -9.490 548 HG3 LYS 74 HG1 LYS 74 -6.948 1.328 -10.924 549 HD2 LYS 74 HD2 LYS 74 -7.991 2.920 -8.585 550 HD3 LYS 74 HD1 LYS 74 -7.271 3.660 -10.011 551 HE2 LYS 74 HE2 LYS 74 -9.679 1.841 -10.068 552 HE3 LYS 74 HE1 LYS 74 -9.758 3.602 -10.066 553 HZ1 LYS 74 HZ1 LYS 74 -9.918 2.899 -12.317 554 HZ2 LYS 74 HZ2 LYS 74 -8.617 1.848 -12.174 555 HZ3 LYS 74 HZ3 LYS 74 -8.350 3.509 -12.122 556 H TYR 75 HN TYR 75 -6.203 -1.037 -6.631 557 HA TYR 75 HA TYR 75 -7.767 -3.320 -6.384 558 HB2 TYR 75 HB2 TYR 75 -5.231 -3.043 -6.333 559 HB3 TYR 75 HB1 TYR 75 -5.425 -2.567 -4.656 560 HD1 TYR 75 HD2 TYR 75 -6.324 -4.248 -3.011 561 HD2 TYR 75 HD1 TYR 75 -5.266 -5.216 -6.996 562 HE1 TYR 75 HE2 TYR 75 -6.226 -6.566 -2.371 563 HE2 TYR 75 HE1 TYR 75 -5.131 -7.531 -6.458 564 HH TYR 75 HH TYR 75 -6.345 -8.850 -3.500 565 H ILE 76 HN ILE 76 -6.647 -0.918 -4.040 566 HA ILE 76 HA ILE 76 -8.089 -1.758 -1.798 567 HB ILE 76 HB ILE 76 -6.960 0.953 -2.562 568 HG12 ILE 76 HG12 ILE 76 -6.003 -1.151 -0.610 569 HG13 ILE 76 HG11 ILE 76 -5.364 -0.889 -2.224 570 HG21 ILE 76 HG21 ILE 76 -8.091 0.130 0.119 571 HG22 ILE 76 HG22 ILE 76 -8.790 1.312 -0.981 572 HG23 ILE 76 HG23 ILE 76 -7.228 1.632 -0.222 573 HD11 ILE 76 HD11 ILE 76 -3.921 0.064 -0.531 574 HD12 ILE 76 HD12 ILE 76 -5.251 1.064 0.058 575 HD13 ILE 76 HD13 ILE 76 -4.597 1.329 -1.557 576 H LEU 77 HN LEU 77 -8.862 0.666 -4.267 577 HA LEU 77 HA LEU 77 -11.272 1.576 -3.305 578 HB2 LEU 77 HB2 LEU 77 -10.470 1.129 -6.174 579 HB3 LEU 77 HB1 LEU 77 -11.912 1.996 -5.689 580 HG LEU 77 HG LEU 77 -9.075 2.822 -5.089 581 HD11 LEU 77 HD11 LEU 77 -9.535 4.646 -6.646 582 HD12 LEU 77 HD12 LEU 77 -11.116 3.947 -6.997 583 HD13 LEU 77 HD13 LEU 77 -9.648 3.072 -7.434 584 HD21 LEU 77 HD21 LEU 77 -10.085 4.886 -4.270 585 HD22 LEU 77 HD22 LEU 77 -10.622 3.492 -3.334 586 HD23 LEU 77 HD23 LEU 77 -11.690 4.211 -4.540 587 H ASP 78 HN ASP 78 -10.661 -1.365 -5.113 588 HA ASP 78 HA ASP 78 -13.492 -1.960 -5.257 589 HB2 ASP 78 HB2 ASP 78 -12.014 -2.510 -7.142 590 HB3 ASP 78 HB1 ASP 78 -11.123 -3.623 -6.109 591 H HIS 79 HN HIS 79 -10.799 -2.754 -3.288 592 HA HIS 79 HA HIS 79 -12.040 -5.120 -2.113 593 HB2 HIS 79 HB2 HIS 79 -9.422 -4.358 -2.550 594 HB3 HIS 79 HB1 HIS 79 -9.626 -4.186 -0.809 595 HD1 HIS 79 HD1 HIS 79 -10.007 -6.347 0.557 596 HD2 HIS 79 HD2 HIS 79 -9.561 -6.967 -3.520 597 HE1 HIS 79 HE1 HIS 79 -9.722 -8.811 0.282 598 HE2 HIS 79 HE2 HIS 79 -8.904 -8.980 -2.058 599 H GLN 80 HN GLN 80 -12.605 -1.984 -1.644 600 HA GLN 80 HA GLN 80 -12.820 -2.187 1.292 601 HB2 GLN 80 HB2 GLN 80 -12.815 0.267 1.332 602 HB3 GLN 80 HB1 GLN 80 -11.371 -0.373 0.565 603 HG2 GLN 80 HG2 GLN 80 -12.297 0.090 -1.632 604 HG3 GLN 80 HG1 GLN 80 -13.776 0.688 -0.895 605 HE21 GLN 80 HE21 GLN 80 -10.686 1.384 0.509 606 HE22 GLN 80 HE22 GLN 80 -10.648 3.054 0.072 607 H ALA 81 HN ALA 81 -14.598 -0.658 2.088 608 HA ALA 81 HA ALA 81 -16.998 -0.943 0.448 609 HB1 ALA 81 HB1 ALA 81 -18.232 -0.951 2.589 610 HB2 ALA 81 HB2 ALA 81 -16.699 -0.906 3.460 611 HB3 ALA 81 HB3 ALA 81 -17.117 -2.312 2.482 612 H2 SOO 101 H2A SOO 101 4.222 -6.115 -0.236 613 H3 SOO 101 H3A SOO 101 2.875 -3.700 -1.612 614 H4 SOO 101 H4A SOO 101 3.028 -4.510 1.279 615 H4A SOO 101 H4B SOO 101 4.426 -3.556 0.780 616 H5 SOO 101 H5A SOO 101 2.900 -1.775 0.023 617 H5A SOO 101 H5B SOO 101 2.741 -2.109 1.749 618 H6 SOO 101 H6A SOO 101 0.772 -3.515 1.270 619 H6A SOO 101 H6B SOO 101 0.915 -3.103 -0.439 620 H7 SOO 101 H7A SOO 101 0.550 -0.746 0.071 621 H7A SOO 101 H7B SOO 101 0.445 -1.130 1.798 622 H8 SOO 101 H8C SOO 101 -1.490 -2.557 1.340 623 H8A SOO 101 H8A SOO 101 -1.381 -2.159 -0.374 624 H8B SOO 101 H8B SOO 101 -1.775 -0.903 0.801 625 H28 SOO 101 H28A SOO 101 10.814 -11.898 3.231 626 H28A SOO 101 H28B SOO 101 9.920 -10.407 2.905 627 H30 SOO 101 H30A SOO 101 8.329 -10.266 1.207 628 H30A SOO 101 H30B SOO 101 8.336 -11.368 -0.171 629 H30B SOO 101 H30C SOO 101 9.693 -10.273 0.090 630 H31 SOO 101 H31A SOO 101 11.028 -13.547 1.130 631 H31A SOO 101 H31B SOO 101 11.230 -12.201 0.009 632 H31B SOO 101 H31C SOO 101 9.887 -13.326 -0.196 633 H32 SOO 101 H32A SOO 101 8.059 -13.471 1.416 634 HO33 SOO 101 H33A SOO 101 9.015 -13.439 3.893 635 HN36 SOO 101 H36A SOO 101 6.429 -11.772 1.482 636 H37 SOO 101 H37A SOO 101 5.539 -11.132 4.195 637 H37A SOO 101 H37B SOO 101 5.632 -9.870 2.989 638 H38 SOO 101 H38A SOO 101 3.875 -12.342 2.854 639 H38A SOO 101 H38B SOO 101 3.405 -10.644 3.129 640 HN41 SOO 101 H41A SOO 101 5.087 -9.607 1.209 641 H42 SOO 101 H42A SOO 101 5.374 -10.111 -1.326 642 H42A SOO 101 H42B SOO 101 3.614 -10.206 -1.281 643 H43 SOO 101 H43A SOO 101 5.272 -7.787 -0.593 644 H43A SOO 101 H43B SOO 101 3.516 -7.902 -0.459 Start of MODEL 4 1 H1 ALA 1 HT1 ALA 1 -14.030 4.099 3.747 2 H2 ALA 1 HT2 ALA 1 -12.751 3.047 3.543 3 H3 ALA 1 HT3 ALA 1 -14.359 2.520 3.239 4 HA ALA 1 HA ALA 1 -13.108 3.018 1.187 5 HB1 ALA 1 HB1 ALA 1 -15.539 3.347 1.227 6 HB2 ALA 1 HB2 ALA 1 -14.740 4.521 0.180 7 HB3 ALA 1 HB3 ALA 1 -15.303 5.004 1.780 8 H ALA 2 HN ALA 2 -12.151 4.716 -0.175 9 HA ALA 2 HA ALA 2 -11.294 7.195 0.942 10 HB1 ALA 2 HB1 ALA 2 -9.343 4.917 0.733 11 HB2 ALA 2 HB2 ALA 2 -9.886 5.659 2.243 12 HB3 ALA 2 HB3 ALA 2 -8.918 6.585 1.094 13 H THR 3 HN THR 3 -10.416 8.458 -0.829 14 HA THR 3 HA THR 3 -10.749 7.117 -3.374 15 HB THR 3 HB THR 3 -10.656 9.291 -4.432 16 HG1 THR 3 HG1 THR 3 -9.806 10.339 -1.902 17 HG21 THR 3 HG21 THR 3 -12.338 10.575 -3.200 18 HG22 THR 3 HG22 THR 3 -11.982 9.624 -1.763 19 HG23 THR 3 HG23 THR 3 -12.727 8.844 -3.168 20 H GLN 4 HN GLN 4 -8.896 8.251 -5.072 21 HA GLN 4 HA GLN 4 -6.665 6.708 -4.613 22 HB2 GLN 4 HB2 GLN 4 -7.237 7.163 -6.814 23 HB3 GLN 4 HB1 GLN 4 -7.430 8.867 -6.542 24 HG2 GLN 4 HG2 GLN 4 -4.707 7.658 -6.332 25 HG3 GLN 4 HG1 GLN 4 -5.415 7.930 -7.922 26 HE21 GLN 4 HE21 GLN 4 -3.113 9.200 -6.677 27 HE22 GLN 4 HE22 GLN 4 -3.472 10.889 -6.650 28 H GLU 5 HN GLU 5 -7.263 10.068 -3.987 29 HA GLU 5 HA GLU 5 -4.627 10.699 -3.217 30 HB2 GLU 5 HB2 GLU 5 -7.244 12.041 -2.774 31 HB3 GLU 5 HB1 GLU 5 -5.822 12.600 -1.898 32 HG2 GLU 5 HG2 GLU 5 -6.000 12.338 -4.884 33 HG3 GLU 5 HG1 GLU 5 -6.227 13.838 -3.981 34 H GLU 6 HN GLU 6 -7.327 9.435 -1.336 35 HA GLU 6 HA GLU 6 -5.969 9.725 1.117 36 HB2 GLU 6 HB2 GLU 6 -8.321 8.082 0.292 37 HB3 GLU 6 HB1 GLU 6 -7.585 7.867 1.878 38 HG2 GLU 6 HG2 GLU 6 -9.532 9.290 1.983 39 HG3 GLU 6 HG1 GLU 6 -8.079 10.185 2.402 40 H ILE 7 HN ILE 7 -6.369 7.172 -1.243 41 HA ILE 7 HA ILE 7 -5.019 5.109 0.042 42 HB ILE 7 HB ILE 7 -5.297 5.735 -2.912 43 HG12 ILE 7 HG12 ILE 7 -6.758 3.783 -1.125 44 HG13 ILE 7 HG11 ILE 7 -7.372 5.356 -1.606 45 HG21 ILE 7 HG21 ILE 7 -4.707 3.383 -3.327 46 HG22 ILE 7 HG22 ILE 7 -4.367 3.162 -1.609 47 HG23 ILE 7 HG23 ILE 7 -3.372 4.254 -2.573 48 HD11 ILE 7 HD11 ILE 7 -8.344 3.544 -2.906 49 HD12 ILE 7 HD12 ILE 7 -6.733 3.089 -3.471 50 HD13 ILE 7 HD13 ILE 7 -7.419 4.655 -3.913 51 H VAL 8 HN VAL 8 -3.710 7.207 -2.506 52 HA VAL 8 HA VAL 8 -1.064 6.359 -2.323 53 HB VAL 8 HB VAL 8 -2.173 9.034 -3.221 54 HG11 VAL 8 HG11 VAL 8 0.505 7.773 -3.785 55 HG12 VAL 8 HG12 VAL 8 0.219 9.209 -2.797 56 HG13 VAL 8 HG13 VAL 8 -0.116 9.247 -4.530 57 HG21 VAL 8 HG21 VAL 8 -1.987 8.047 -5.461 58 HG22 VAL 8 HG22 VAL 8 -3.113 7.172 -4.420 59 HG23 VAL 8 HG23 VAL 8 -1.508 6.515 -4.728 60 H ALA 9 HN ALA 9 -2.347 9.442 -1.019 61 HA ALA 9 HA ALA 9 0.036 10.128 0.311 62 HB1 ALA 9 HB1 ALA 9 -1.640 11.760 -0.349 63 HB2 ALA 9 HB2 ALA 9 -1.278 11.872 1.378 64 HB3 ALA 9 HB3 ALA 9 -2.762 11.084 0.829 65 H GLY 10 HN GLY 10 -2.773 8.294 1.330 66 HA2 GLY 10 HA2 GLY 10 -2.131 8.384 4.122 67 HA3 GLY 10 HA1 GLY 10 -3.331 7.356 3.347 68 H LEU 11 HN LEU 11 -1.559 6.173 1.460 69 HA LEU 11 HA LEU 11 -0.566 3.987 2.895 70 HB2 LEU 11 HB2 LEU 11 -0.922 4.758 0.240 71 HB3 LEU 11 HB1 LEU 11 0.805 4.494 0.385 72 HG LEU 11 HG LEU 11 -1.317 2.473 1.152 73 HD11 LEU 11 HD11 LEU 11 0.332 2.631 -1.358 74 HD12 LEU 11 HD12 LEU 11 -1.404 2.923 -1.229 75 HD13 LEU 11 HD13 LEU 11 -0.753 1.316 -0.904 76 HD21 LEU 11 HD21 LEU 11 0.800 2.167 2.307 77 HD22 LEU 11 HD22 LEU 11 1.656 2.200 0.766 78 HD23 LEU 11 HD23 LEU 11 0.536 0.884 1.126 79 H ALA 12 HN ALA 12 0.944 6.792 1.475 80 HA ALA 12 HA ALA 12 3.584 6.211 2.062 81 HB1 ALA 12 HB1 ALA 12 4.031 8.515 1.691 82 HB2 ALA 12 HB2 ALA 12 2.317 8.918 1.859 83 HB3 ALA 12 HB3 ALA 12 2.875 7.914 0.504 84 H GLU 13 HN GLU 13 1.104 7.617 4.075 85 HA GLU 13 HA GLU 13 2.753 8.646 6.128 86 HB2 GLU 13 HB2 GLU 13 -0.057 7.523 6.370 87 HB3 GLU 13 HB1 GLU 13 0.761 8.457 7.607 88 HG2 GLU 13 HG2 GLU 13 0.825 10.383 6.092 89 HG3 GLU 13 HG1 GLU 13 -0.015 9.433 4.868 90 H ILE 14 HN ILE 14 1.262 5.506 5.677 91 HA ILE 14 HA ILE 14 2.403 4.453 8.094 92 HB ILE 14 HB ILE 14 0.865 3.080 5.858 93 HG12 ILE 14 HG12 ILE 14 -0.797 2.648 7.718 94 HG13 ILE 14 HG11 ILE 14 0.169 3.696 8.738 95 HG21 ILE 14 HG21 ILE 14 2.464 1.470 6.719 96 HG22 ILE 14 HG22 ILE 14 0.828 1.045 7.225 97 HG23 ILE 14 HG23 ILE 14 1.935 1.802 8.369 98 HD11 ILE 14 HD11 ILE 14 -0.298 5.560 7.242 99 HD12 ILE 14 HD12 ILE 14 -1.780 4.831 7.867 100 HD13 ILE 14 HD13 ILE 14 -1.256 4.492 6.218 101 H VAL 15 HN VAL 15 3.104 4.239 4.661 102 HA VAL 15 HA VAL 15 5.191 2.393 4.814 103 HB VAL 15 HB VAL 15 4.684 4.606 2.802 104 HG11 VAL 15 HG11 VAL 15 7.042 4.071 2.835 105 HG12 VAL 15 HG12 VAL 15 6.274 3.493 1.352 106 HG13 VAL 15 HG13 VAL 15 6.680 2.350 2.649 107 HG21 VAL 15 HG21 VAL 15 3.975 2.761 1.377 108 HG22 VAL 15 HG22 VAL 15 3.027 2.832 2.862 109 HG23 VAL 15 HG23 VAL 15 4.299 1.623 2.684 110 H ASN 16 HN ASN 16 5.122 5.823 5.359 111 HA ASN 16 HA ASN 16 7.844 6.453 5.480 112 HB2 ASN 16 HB2 ASN 16 5.687 7.906 5.594 113 HB3 ASN 16 HB1 ASN 16 5.796 7.620 7.322 114 HD21 ASN 16 HD21 ASN 16 8.275 8.226 4.870 115 HD22 ASN 16 HD22 ASN 16 8.910 9.634 5.613 116 H GLU 17 HN GLU 17 5.645 4.979 7.745 117 HA GLU 17 HA GLU 17 7.366 5.120 10.046 118 HB2 GLU 17 HB2 GLU 17 4.860 3.521 9.542 119 HB3 GLU 17 HB1 GLU 17 5.633 3.761 11.103 120 HG2 GLU 17 HG2 GLU 17 4.516 5.889 9.365 121 HG3 GLU 17 HG1 GLU 17 3.657 5.189 10.749 122 H ILE 18 HN ILE 18 6.022 2.513 8.089 123 HA ILE 18 HA ILE 18 7.416 0.382 9.305 124 HB ILE 18 HB ILE 18 6.311 0.499 6.500 125 HG12 ILE 18 HG12 ILE 18 4.595 1.111 8.147 126 HG13 ILE 18 HG11 ILE 18 4.265 -0.465 7.448 127 HG21 ILE 18 HG21 ILE 18 6.118 -1.945 6.715 128 HG22 ILE 18 HG22 ILE 18 6.904 -1.860 8.293 129 HG23 ILE 18 HG23 ILE 18 7.793 -1.403 6.843 130 HD11 ILE 18 HD11 ILE 18 5.146 -1.523 9.480 131 HD12 ILE 18 HD12 ILE 18 3.772 -0.464 9.781 132 HD13 ILE 18 HD13 ILE 18 5.409 0.082 10.181 133 H ALA 19 HN ALA 19 8.028 2.074 6.223 134 HA ALA 19 HA ALA 19 10.581 0.602 6.041 135 HB1 ALA 19 HB1 ALA 19 9.020 1.878 3.808 136 HB2 ALA 19 HB2 ALA 19 9.016 0.163 4.215 137 HB3 ALA 19 HB3 ALA 19 10.496 0.930 3.639 138 H GLY 20 HN GLY 20 9.178 3.760 6.089 139 HA2 GLY 20 HA2 GLY 20 10.344 5.711 6.656 140 HA3 GLY 20 HA1 GLY 20 11.855 4.881 6.308 141 H ILE 21 HN ILE 21 9.183 4.834 4.121 142 HA ILE 21 HA ILE 21 10.826 6.204 2.141 143 HB ILE 21 HB ILE 21 8.100 4.890 1.831 144 HG12 ILE 21 HG12 ILE 21 9.721 3.196 2.464 145 HG13 ILE 21 HG11 ILE 21 9.295 3.000 0.772 146 HG21 ILE 21 HG21 ILE 21 10.045 5.775 -0.286 147 HG22 ILE 21 HG22 ILE 21 8.492 6.524 0.095 148 HG23 ILE 21 HG23 ILE 21 8.543 4.893 -0.573 149 HD11 ILE 21 HD11 ILE 21 11.667 2.652 1.157 150 HD12 ILE 21 HD12 ILE 21 11.809 4.280 1.825 151 HD13 ILE 21 HD13 ILE 21 11.393 4.055 0.125 152 HA PRO 22 HA PRO 22 9.084 10.165 3.076 153 HB2 PRO 22 HB2 PRO 22 9.217 10.508 0.113 154 HB3 PRO 22 HB1 PRO 22 9.788 11.585 1.395 155 HG2 PRO 22 HG2 PRO 22 11.514 10.092 0.062 156 HG3 PRO 22 HG1 PRO 22 11.675 10.299 1.816 157 HD2 PRO 22 HD2 PRO 22 10.679 7.951 0.265 158 HD3 PRO 22 HD1 PRO 22 11.626 7.994 1.764 159 H VAL 23 HN VAL 23 7.198 11.231 3.055 160 HA VAL 23 HA VAL 23 4.906 9.677 2.376 161 HB VAL 23 HB VAL 23 3.558 11.474 3.395 162 HG11 VAL 23 HG11 VAL 23 4.434 11.274 5.651 163 HG12 VAL 23 HG12 VAL 23 5.949 10.645 4.999 164 HG13 VAL 23 HG13 VAL 23 4.451 9.734 4.791 165 HG21 VAL 23 HG21 VAL 23 4.864 13.389 2.690 166 HG22 VAL 23 HG22 VAL 23 6.215 12.847 3.674 167 HG23 VAL 23 HG23 VAL 23 4.720 13.386 4.454 168 H GLU 24 HN GLU 24 6.622 11.664 0.493 169 HA GLU 24 HA GLU 24 4.314 12.177 -1.281 170 HB2 GLU 24 HB2 GLU 24 6.906 13.707 -0.996 171 HB3 GLU 24 HB1 GLU 24 5.686 14.030 -2.217 172 HG2 GLU 24 HG2 GLU 24 4.134 14.774 -0.610 173 HG3 GLU 24 HG1 GLU 24 5.101 14.131 0.720 174 H ASP 25 HN ASP 25 6.408 9.952 -0.810 175 HA ASP 25 HA ASP 25 7.447 9.885 -3.559 176 HB2 ASP 25 HB2 ASP 25 9.143 10.101 -1.798 177 HB3 ASP 25 HB1 ASP 25 8.613 8.581 -1.102 178 H VAL 26 HN VAL 26 5.305 8.274 -1.359 179 HA VAL 26 HA VAL 26 5.458 5.794 -2.822 180 HB VAL 26 HB VAL 26 3.575 6.629 -0.580 181 HG11 VAL 26 HG11 VAL 26 2.814 4.682 -1.809 182 HG12 VAL 26 HG12 VAL 26 3.316 4.232 -0.176 183 HG13 VAL 26 HG13 VAL 26 4.369 3.891 -1.551 184 HG21 VAL 26 HG21 VAL 26 5.073 5.462 0.968 185 HG22 VAL 26 HG22 VAL 26 5.852 6.849 0.208 186 HG23 VAL 26 HG23 VAL 26 6.225 5.217 -0.344 187 H LYS 27 HN LYS 27 4.965 7.106 -4.690 188 HA LYS 27 HA LYS 27 2.223 8.105 -4.911 189 HB2 LYS 27 HB2 LYS 27 4.572 8.516 -6.772 190 HB3 LYS 27 HB1 LYS 27 2.999 9.299 -6.864 191 HG2 LYS 27 HG2 LYS 27 4.907 9.611 -4.562 192 HG3 LYS 27 HG1 LYS 27 4.770 10.736 -5.908 193 HD2 LYS 27 HD2 LYS 27 2.502 10.020 -4.033 194 HD3 LYS 27 HD1 LYS 27 3.536 11.439 -3.849 195 HE2 LYS 27 HE2 LYS 27 2.823 12.186 -6.096 196 HE3 LYS 27 HE1 LYS 27 1.727 10.808 -6.177 197 HZ1 LYS 27 HZ1 LYS 27 0.500 11.743 -4.259 198 HZ2 LYS 27 HZ2 LYS 27 0.610 12.835 -5.523 199 HZ3 LYS 27 HZ3 LYS 27 1.601 13.027 -4.194 200 H LEU 28 HN LEU 28 1.266 7.806 -7.187 201 HA LEU 28 HA LEU 28 0.443 5.229 -7.481 202 HB2 LEU 28 HB2 LEU 28 0.494 7.401 -9.559 203 HB3 LEU 28 HB1 LEU 28 -0.302 5.860 -9.812 204 HG LEU 28 HG LEU 28 -1.014 7.827 -7.621 205 HD11 LEU 28 HD11 LEU 28 -2.420 7.172 -10.199 206 HD12 LEU 28 HD12 LEU 28 -1.628 8.708 -9.806 207 HD13 LEU 28 HD13 LEU 28 -3.057 8.181 -8.905 208 HD21 LEU 28 HD21 LEU 28 -2.943 6.417 -7.293 209 HD22 LEU 28 HD22 LEU 28 -1.457 5.490 -7.064 210 HD23 LEU 28 HD23 LEU 28 -2.384 5.332 -8.560 211 H ASP 29 HN ASP 29 3.041 6.670 -9.349 212 HA ASP 29 HA ASP 29 3.400 4.274 -10.914 213 HB2 ASP 29 HB2 ASP 29 3.766 6.457 -11.914 214 HB3 ASP 29 HB1 ASP 29 5.028 6.816 -10.746 215 H LYS 30 HN LYS 30 4.137 4.600 -7.754 216 HA LYS 30 HA LYS 30 6.859 3.613 -8.047 217 HB2 LYS 30 HB2 LYS 30 5.523 4.927 -5.679 218 HB3 LYS 30 HB1 LYS 30 7.135 4.210 -5.693 219 HG2 LYS 30 HG2 LYS 30 6.440 6.384 -7.633 220 HG3 LYS 30 HG1 LYS 30 6.916 6.765 -5.980 221 HD2 LYS 30 HD2 LYS 30 8.880 6.874 -7.338 222 HD3 LYS 30 HD1 LYS 30 8.998 5.426 -6.351 223 HE2 LYS 30 HE2 LYS 30 9.728 4.745 -8.453 224 HE3 LYS 30 HE1 LYS 30 8.066 4.191 -8.386 225 HZ1 LYS 30 HZ1 LYS 30 9.062 6.608 -9.750 226 HZ2 LYS 30 HZ2 LYS 30 7.430 6.183 -9.747 227 HZ3 LYS 30 HZ3 LYS 30 8.568 5.195 -10.506 228 H SER 31 HN SER 31 7.215 1.606 -7.801 229 HA SER 31 HA SER 31 5.212 -0.175 -6.768 230 HB2 SER 31 HB2 SER 31 6.486 -0.687 -8.819 231 HB3 SER 31 HB1 SER 31 7.968 -0.733 -7.870 232 HG SER 31 HG SER 31 7.056 -2.830 -8.214 233 H PHE 32 HN PHE 32 5.230 -1.219 -4.959 234 HA PHE 32 HA PHE 32 6.672 -0.362 -2.695 235 HB2 PHE 32 HB2 PHE 32 5.250 -2.982 -3.128 236 HB3 PHE 32 HB1 PHE 32 5.759 -2.379 -1.569 237 HD1 PHE 32 HD1 PHE 32 4.727 -0.083 -0.913 238 HD2 PHE 32 HD2 PHE 32 3.156 -2.621 -3.920 239 HE1 PHE 32 HE1 PHE 32 2.542 1.011 -0.668 240 HE2 PHE 32 HE2 PHE 32 0.961 -1.527 -3.705 241 HZ PHE 32 HZ PHE 32 0.626 0.250 -2.148 242 H THR 33 HN THR 33 6.704 -3.602 -4.094 243 HA THR 33 HA THR 33 9.300 -3.976 -2.918 244 HB THR 33 HB THR 33 7.495 -6.062 -4.164 245 HG1 THR 33 HG1 THR 33 6.197 -5.624 -2.521 246 HG21 THR 33 HG21 THR 33 8.650 -7.502 -2.578 247 HG22 THR 33 HG22 THR 33 9.518 -6.086 -1.962 248 HG23 THR 33 HG23 THR 33 9.820 -6.658 -3.613 249 H ASP 34 HN ASP 34 9.931 -2.449 -4.671 250 HA ASP 34 HA ASP 34 11.462 -3.792 -6.637 251 HB2 ASP 34 HB2 ASP 34 9.420 -3.918 -7.940 252 HB3 ASP 34 HB1 ASP 34 9.090 -2.215 -7.666 253 H ASP 35 HN ASP 35 9.843 -0.654 -6.099 254 HA ASP 35 HA ASP 35 12.371 0.626 -6.828 255 HB2 ASP 35 HB2 ASP 35 10.324 1.199 -8.140 256 HB3 ASP 35 HB1 ASP 35 9.614 1.825 -6.660 257 H LEU 36 HN LEU 36 9.691 0.892 -4.542 258 HA LEU 36 HA LEU 36 11.051 2.803 -2.922 259 HB2 LEU 36 HB2 LEU 36 8.616 1.143 -2.299 260 HB3 LEU 36 HB1 LEU 36 9.138 2.567 -1.426 261 HG LEU 36 HG LEU 36 8.100 2.460 -4.250 262 HD11 LEU 36 HD11 LEU 36 6.263 3.795 -3.369 263 HD12 LEU 36 HD12 LEU 36 6.948 3.665 -1.750 264 HD13 LEU 36 HD13 LEU 36 6.374 2.220 -2.586 265 HD21 LEU 36 HD21 LEU 36 9.837 4.113 -4.101 266 HD22 LEU 36 HD22 LEU 36 9.098 4.830 -2.664 267 HD23 LEU 36 HD23 LEU 36 8.271 4.915 -4.225 268 H ASP 37 HN ASP 37 10.291 -0.610 -2.676 269 HA ASP 37 HA ASP 37 11.009 -2.310 -1.474 270 HB2 ASP 37 HB2 ASP 37 13.434 -0.573 -0.912 271 HB3 ASP 37 HB1 ASP 37 13.277 -2.213 -0.304 272 H VAL 38 HN VAL 38 9.646 -2.711 -0.010 273 HA VAL 38 HA VAL 38 9.574 -0.962 2.364 274 HB VAL 38 HB VAL 38 7.254 -2.672 1.387 275 HG11 VAL 38 HG11 VAL 38 7.335 -0.286 3.226 276 HG12 VAL 38 HG12 VAL 38 7.112 -1.968 3.704 277 HG13 VAL 38 HG13 VAL 38 5.884 -1.157 2.733 278 HG21 VAL 38 HG21 VAL 38 6.266 -0.658 0.385 279 HG22 VAL 38 HG22 VAL 38 7.781 -1.101 -0.402 280 HG23 VAL 38 HG23 VAL 38 7.743 0.236 0.745 281 H ASP 39 HN ASP 39 11.297 -3.109 1.838 282 HA ASP 39 HA ASP 39 12.338 -4.836 2.823 283 HB2 ASP 39 HB2 ASP 39 11.837 -3.372 4.864 284 HB3 ASP 39 HB1 ASP 39 10.483 -4.484 5.123 285 H SER 40 HN SER 40 9.658 -5.033 1.578 286 HA SER 40 HA SER 40 8.186 -6.509 0.748 287 HB2 SER 40 HB2 SER 40 9.064 -8.725 0.198 288 HB3 SER 40 HB1 SER 40 10.205 -7.434 -0.167 289 H LEU 41 HN LEU 41 9.547 -8.649 3.163 290 HA LEU 41 HA LEU 41 7.026 -9.741 3.802 291 HB2 LEU 41 HB2 LEU 41 8.205 -10.748 5.796 292 HB3 LEU 41 HB1 LEU 41 8.872 -11.133 4.232 293 HG LEU 41 HG LEU 41 10.622 -9.332 4.700 294 HD11 LEU 41 HD11 LEU 41 9.609 -9.641 7.513 295 HD12 LEU 41 HD12 LEU 41 9.468 -8.208 6.505 296 HD13 LEU 41 HD13 LEU 41 11.064 -8.769 7.010 297 HD21 LEU 41 HD21 LEU 41 10.536 -11.783 6.436 298 HD22 LEU 41 HD22 LEU 41 11.977 -10.845 6.050 299 HD23 LEU 41 HD23 LEU 41 11.111 -11.696 4.772 300 H SER 42 HN SER 42 8.765 -7.039 5.013 301 HA SER 42 HA SER 42 7.114 -6.662 7.275 302 HB2 SER 42 HB2 SER 42 9.110 -4.811 5.984 303 HB3 SER 42 HB1 SER 42 8.284 -4.508 7.518 304 HG SER 42 HG SER 42 10.447 -6.015 7.011 305 H MET 43 HN MET 43 6.594 -6.083 3.988 306 HA MET 43 HA MET 43 5.245 -3.671 4.288 307 HB2 MET 43 HB2 MET 43 4.330 -3.893 2.042 308 HB3 MET 43 HB1 MET 43 5.964 -4.496 2.032 309 HG2 MET 43 HG2 MET 43 4.570 -5.880 0.649 310 HG3 MET 43 HG1 MET 43 5.112 -6.800 2.040 311 HE1 MET 43 HE1 MET 43 1.653 -8.404 1.420 312 HE2 MET 43 HE2 MET 43 3.423 -8.593 1.477 313 HE3 MET 43 HE3 MET 43 2.666 -7.706 0.143 314 H VAL 44 HN VAL 44 4.417 -6.870 5.071 315 HA VAL 44 HA VAL 44 1.671 -6.739 4.872 316 HB VAL 44 HB VAL 44 3.378 -8.414 6.754 317 HG11 VAL 44 HG11 VAL 44 1.121 -8.241 7.695 318 HG12 VAL 44 HG12 VAL 44 1.418 -9.866 7.074 319 HG13 VAL 44 HG13 VAL 44 0.431 -8.736 6.150 320 HG21 VAL 44 HG21 VAL 44 2.903 -10.200 5.158 321 HG22 VAL 44 HG22 VAL 44 3.714 -8.828 4.388 322 HG23 VAL 44 HG23 VAL 44 1.981 -9.066 4.169 323 H GLU 45 HN GLU 45 3.900 -5.492 7.200 324 HA GLU 45 HA GLU 45 1.976 -4.958 9.206 325 HB2 GLU 45 HB2 GLU 45 4.753 -3.857 8.830 326 HB3 GLU 45 HB1 GLU 45 3.759 -3.615 10.263 327 HG2 GLU 45 HG2 GLU 45 3.678 -6.101 10.507 328 HG3 GLU 45 HG1 GLU 45 4.871 -6.192 9.218 329 H VAL 46 HN VAL 46 3.180 -3.348 6.388 330 HA VAL 46 HA VAL 46 2.147 -0.758 6.882 331 HB VAL 46 HB VAL 46 2.397 -2.178 4.200 332 HG11 VAL 46 HG11 VAL 46 0.985 -0.207 4.065 333 HG12 VAL 46 HG12 VAL 46 2.511 0.073 3.230 334 HG13 VAL 46 HG13 VAL 46 2.239 0.769 4.826 335 HG21 VAL 46 HG21 VAL 46 4.531 -2.140 5.342 336 HG22 VAL 46 HG22 VAL 46 4.377 -0.406 5.608 337 HG23 VAL 46 HG23 VAL 46 4.544 -1.037 3.966 338 H VAL 47 HN VAL 47 0.938 -3.608 5.168 339 HA VAL 47 HA VAL 47 -1.517 -2.862 4.242 340 HB VAL 47 HB VAL 47 -0.927 -5.519 5.591 341 HG11 VAL 47 HG11 VAL 47 -3.315 -5.198 5.187 342 HG12 VAL 47 HG12 VAL 47 -2.656 -6.429 4.108 343 HG13 VAL 47 HG13 VAL 47 -2.984 -4.808 3.500 344 HG21 VAL 47 HG21 VAL 47 -0.343 -6.305 3.346 345 HG22 VAL 47 HG22 VAL 47 0.722 -5.009 3.888 346 HG23 VAL 47 HG23 VAL 47 -0.560 -4.669 2.724 347 H VAL 48 HN VAL 48 -0.948 -4.210 7.469 348 HA VAL 48 HA VAL 48 -3.445 -4.151 8.631 349 HB VAL 48 HB VAL 48 -0.903 -3.245 10.006 350 HG11 VAL 48 HG11 VAL 48 -1.910 -4.184 12.033 351 HG12 VAL 48 HG12 VAL 48 -3.371 -4.567 11.121 352 HG13 VAL 48 HG13 VAL 48 -2.896 -2.886 11.357 353 HG21 VAL 48 HG21 VAL 48 -1.953 -6.029 9.573 354 HG22 VAL 48 HG22 VAL 48 -0.551 -5.602 10.563 355 HG23 VAL 48 HG23 VAL 48 -0.522 -5.323 8.820 356 H ALA 49 HN ALA 49 -1.120 -1.476 8.798 357 HA ALA 49 HA ALA 49 -3.023 0.269 10.039 358 HB1 ALA 49 HB1 ALA 49 -0.235 0.864 9.056 359 HB2 ALA 49 HB2 ALA 49 -0.658 0.320 10.678 360 HB3 ALA 49 HB3 ALA 49 -1.211 1.893 10.103 361 H ALA 50 HN ALA 50 -1.921 -0.346 6.825 362 HA ALA 50 HA ALA 50 -2.934 2.035 5.648 363 HB1 ALA 50 HB1 ALA 50 -2.476 -0.684 4.399 364 HB2 ALA 50 HB2 ALA 50 -1.290 0.620 4.478 365 HB3 ALA 50 HB3 ALA 50 -2.756 0.817 3.517 366 H GLU 51 HN GLU 51 -4.214 -1.225 6.205 367 HA GLU 51 HA GLU 51 -6.713 -0.844 5.096 368 HB2 GLU 51 HB2 GLU 51 -5.833 -2.557 7.404 369 HB3 GLU 51 HB1 GLU 51 -7.490 -2.541 6.843 370 HG2 GLU 51 HG2 GLU 51 -6.796 -3.341 4.689 371 HG3 GLU 51 HG1 GLU 51 -5.105 -3.403 5.138 372 H GLU 52 HN GLU 52 -5.446 -0.148 8.213 373 HA GLU 52 HA GLU 52 -7.761 0.828 9.467 374 HB2 GLU 52 HB2 GLU 52 -5.689 0.051 10.557 375 HB3 GLU 52 HB1 GLU 52 -4.864 1.478 9.962 376 HG2 GLU 52 HG2 GLU 52 -6.394 2.860 11.302 377 HG3 GLU 52 HG1 GLU 52 -7.105 1.381 11.955 378 H ARG 53 HN ARG 53 -5.607 2.223 7.152 379 HA ARG 53 HA ARG 53 -6.039 5.006 7.829 380 HB2 ARG 53 HB2 ARG 53 -3.890 4.174 6.914 381 HB3 ARG 53 HB1 ARG 53 -4.704 3.748 5.426 382 HG2 ARG 53 HG2 ARG 53 -3.696 5.740 4.873 383 HG3 ARG 53 HG1 ARG 53 -5.312 6.265 5.325 384 HD2 ARG 53 HD2 ARG 53 -2.854 6.373 7.084 385 HD3 ARG 53 HD1 ARG 53 -3.571 7.735 6.238 386 HE ARG 53 HE ARG 53 -4.964 6.242 8.349 387 HH11 ARG 53 HH11 ARG 53 -3.773 9.329 7.037 388 HH12 ARG 53 HH12 ARG 53 -4.713 10.286 8.098 389 HH21 ARG 53 HH21 ARG 53 -6.135 7.517 9.826 390 HH22 ARG 53 HH22 ARG 53 -6.111 9.231 9.759 391 H PHE 54 HN PHE 54 -7.084 2.746 5.321 392 HA PHE 54 HA PHE 54 -8.674 4.868 3.976 393 HB2 PHE 54 HB2 PHE 54 -8.281 2.064 3.004 394 HB3 PHE 54 HB1 PHE 54 -8.664 3.487 2.056 395 HD1 PHE 54 HD1 PHE 54 -6.592 5.365 2.717 396 HD2 PHE 54 HD2 PHE 54 -6.390 1.144 2.349 397 HE1 PHE 54 HE1 PHE 54 -4.210 5.538 2.195 398 HE2 PHE 54 HE2 PHE 54 -3.983 1.299 1.836 399 HZ PHE 54 HZ PHE 54 -2.888 3.497 1.764 400 H ASP 55 HN ASP 55 -8.971 2.304 6.093 401 HA ASP 55 HA ASP 55 -10.394 0.799 6.705 402 HB2 ASP 55 HB2 ASP 55 -11.875 2.728 7.330 403 HB3 ASP 55 HB1 ASP 55 -12.638 2.611 5.742 404 H VAL 56 HN VAL 56 -9.466 -0.379 5.265 405 HA VAL 56 HA VAL 56 -11.213 -1.240 3.112 406 HB VAL 56 HB VAL 56 -9.136 -2.078 1.933 407 HG11 VAL 56 HG11 VAL 56 -8.552 0.102 1.013 408 HG12 VAL 56 HG12 VAL 56 -9.548 0.863 2.278 409 HG13 VAL 56 HG13 VAL 56 -10.271 -0.233 1.092 410 HG21 VAL 56 HG21 VAL 56 -7.585 -1.942 3.782 411 HG22 VAL 56 HG22 VAL 56 -7.774 -0.189 3.821 412 HG23 VAL 56 HG23 VAL 56 -7.037 -0.965 2.420 413 H LYS 57 HN LYS 57 -10.542 -3.390 2.437 414 HA LYS 57 HA LYS 57 -9.935 -5.079 4.767 415 HB2 LYS 57 HB2 LYS 57 -12.204 -5.471 2.784 416 HB3 LYS 57 HB1 LYS 57 -11.573 -6.781 3.759 417 HG2 LYS 57 HG2 LYS 57 -13.622 -5.935 4.770 418 HG3 LYS 57 HG1 LYS 57 -12.264 -5.567 5.817 419 HD2 LYS 57 HD2 LYS 57 -12.294 -3.219 4.951 420 HD3 LYS 57 HD1 LYS 57 -13.708 -3.631 3.977 421 HE2 LYS 57 HE2 LYS 57 -15.007 -4.094 5.956 422 HE3 LYS 57 HE1 LYS 57 -13.594 -3.905 6.985 423 HZ1 LYS 57 HZ1 LYS 57 -13.569 -1.501 6.429 424 HZ2 LYS 57 HZ2 LYS 57 -14.987 -1.942 7.107 425 HZ3 LYS 57 HZ3 LYS 57 -14.932 -1.662 5.463 426 H ILE 58 HN ILE 58 -7.926 -5.628 4.213 427 HA ILE 58 HA ILE 58 -7.592 -6.754 1.537 428 HB ILE 58 HB ILE 58 -5.540 -5.058 2.991 429 HG12 ILE 58 HG12 ILE 58 -7.166 -4.446 0.506 430 HG13 ILE 58 HG11 ILE 58 -7.421 -3.721 2.089 431 HG21 ILE 58 HG21 ILE 58 -4.271 -5.248 0.908 432 HG22 ILE 58 HG22 ILE 58 -5.561 -6.253 0.248 433 HG23 ILE 58 HG23 ILE 58 -4.588 -6.856 1.599 434 HD11 ILE 58 HD11 ILE 58 -4.953 -3.432 0.385 435 HD12 ILE 58 HD12 ILE 58 -5.203 -2.696 1.968 436 HD13 ILE 58 HD13 ILE 58 -6.215 -2.218 0.606 437 HA PRO 59 HA PRO 59 -5.880 -10.015 4.084 438 HB2 PRO 59 HB2 PRO 59 -5.948 -11.857 1.970 439 HB3 PRO 59 HB1 PRO 59 -7.213 -11.609 3.177 440 HG2 PRO 59 HG2 PRO 59 -7.257 -10.955 0.374 441 HG3 PRO 59 HG1 PRO 59 -8.563 -10.853 1.561 442 HD2 PRO 59 HD2 PRO 59 -6.915 -8.737 0.456 443 HD3 PRO 59 HD1 PRO 59 -8.370 -8.611 1.462 444 H ASP 60 HN ASP 60 -3.728 -10.554 4.308 445 HA ASP 60 HA ASP 60 -1.900 -9.132 2.727 446 HB2 ASP 60 HB2 ASP 60 -0.091 -10.076 3.955 447 HB3 ASP 60 HB1 ASP 60 -1.361 -9.590 5.074 448 H ASP 61 HN ASP 61 -3.072 -12.332 2.265 449 HA ASP 61 HA ASP 61 -0.810 -12.986 0.626 450 HB2 ASP 61 HB2 ASP 61 -2.127 -14.794 1.717 451 HB3 ASP 61 HB1 ASP 61 -3.478 -14.413 0.649 452 H ASP 62 HN ASP 62 -3.797 -11.452 0.187 453 HA ASP 62 HA ASP 62 -3.828 -11.780 -2.684 454 HB2 ASP 62 HB2 ASP 62 -5.862 -11.523 -1.092 455 HB3 ASP 62 HB1 ASP 62 -5.452 -9.806 -1.149 456 H VAL 63 HN VAL 63 -2.784 -9.431 -0.315 457 HA VAL 63 HA VAL 63 -2.472 -7.322 -2.185 458 HB VAL 63 HB VAL 63 -2.786 -6.939 0.262 459 HG11 VAL 63 HG11 VAL 63 -1.372 -8.632 1.159 460 HG12 VAL 63 HG12 VAL 63 -0.868 -7.045 1.758 461 HG13 VAL 63 HG13 VAL 63 0.036 -7.839 0.463 462 HG21 VAL 63 HG21 VAL 63 -1.992 -5.136 -1.104 463 HG22 VAL 63 HG22 VAL 63 -0.328 -5.683 -0.897 464 HG23 VAL 63 HG23 VAL 63 -1.238 -5.075 0.487 465 H LYS 64 HN LYS 64 -0.599 -10.024 -1.337 466 HA LYS 64 HA LYS 64 2.011 -9.388 -1.985 467 HB2 LYS 64 HB2 LYS 64 0.436 -11.903 -2.404 468 HB3 LYS 64 HB1 LYS 64 2.143 -11.808 -2.779 469 HG2 LYS 64 HG2 LYS 64 2.704 -11.492 -0.511 470 HG3 LYS 64 HG1 LYS 64 1.016 -11.203 -0.068 471 HD2 LYS 64 HD2 LYS 64 1.770 -13.504 0.530 472 HD3 LYS 64 HD1 LYS 64 0.438 -13.475 -0.629 473 HE2 LYS 64 HE2 LYS 64 2.054 -13.814 -2.449 474 HE3 LYS 64 HE1 LYS 64 3.323 -13.999 -1.234 475 HZ1 LYS 64 HZ1 LYS 64 2.295 -15.925 -0.380 476 HZ2 LYS 64 HZ2 LYS 64 2.225 -16.138 -2.050 477 HZ3 LYS 64 HZ3 LYS 64 0.864 -15.634 -1.183 478 H ASN 65 HN ASN 65 -0.696 -9.394 -4.041 479 HA ASN 65 HA ASN 65 0.645 -10.262 -6.481 480 HB2 ASN 65 HB2 ASN 65 -2.212 -9.392 -6.020 481 HB3 ASN 65 HB1 ASN 65 -1.573 -10.132 -7.477 482 HD21 ASN 65 HD21 ASN 65 -3.724 -10.934 -5.657 483 HD22 ASN 65 HD22 ASN 65 -3.364 -12.524 -5.108 484 H LEU 66 HN LEU 66 0.567 -7.450 -4.831 485 HA LEU 66 HA LEU 66 -0.302 -5.710 -6.957 486 HB2 LEU 66 HB2 LEU 66 0.757 -5.130 -4.219 487 HB3 LEU 66 HB1 LEU 66 0.243 -3.883 -5.319 488 HG LEU 66 HG LEU 66 -1.426 -6.001 -3.980 489 HD11 LEU 66 HD11 LEU 66 -0.886 -4.098 -2.622 490 HD12 LEU 66 HD12 LEU 66 -2.600 -4.100 -3.043 491 HD13 LEU 66 HD13 LEU 66 -1.487 -3.005 -3.870 492 HD21 LEU 66 HD21 LEU 66 -2.289 -4.035 -6.101 493 HD22 LEU 66 HD22 LEU 66 -3.361 -5.066 -5.138 494 HD23 LEU 66 HD23 LEU 66 -2.215 -5.791 -6.260 495 H LYS 67 HN LYS 67 1.080 -3.672 -7.254 496 HA LYS 67 HA LYS 67 3.899 -4.347 -7.430 497 HB2 LYS 67 HB2 LYS 67 2.956 -4.682 -9.641 498 HB3 LYS 67 HB1 LYS 67 2.194 -3.096 -9.592 499 HG2 LYS 67 HG2 LYS 67 4.548 -2.181 -9.289 500 HG3 LYS 67 HG1 LYS 67 5.090 -3.779 -9.808 501 HD2 LYS 67 HD2 LYS 67 3.911 -3.528 -11.900 502 HD3 LYS 67 HD1 LYS 67 3.220 -1.999 -11.294 503 HE2 LYS 67 HE2 LYS 67 5.077 -1.531 -12.768 504 HE3 LYS 67 HE1 LYS 67 5.363 -1.060 -11.084 505 HZ1 LYS 67 HZ1 LYS 67 7.324 -2.067 -12.037 506 HZ2 LYS 67 HZ2 LYS 67 6.517 -3.468 -12.428 507 HZ3 LYS 67 HZ3 LYS 67 6.763 -3.066 -10.806 508 H THR 68 HN THR 68 2.015 -1.535 -8.525 509 HA THR 68 HA THR 68 3.720 0.214 -6.946 510 HB THR 68 HB THR 68 2.674 1.941 -8.419 511 HG1 THR 68 HG1 THR 68 1.516 1.180 -10.226 512 HG21 THR 68 HG21 THR 68 4.847 0.963 -9.028 513 HG22 THR 68 HG22 THR 68 3.890 1.325 -10.463 514 HG23 THR 68 HG23 THR 68 4.021 -0.337 -9.884 515 H VAL 69 HN VAL 69 2.351 2.294 -6.278 516 HA VAL 69 HA VAL 69 0.079 1.198 -4.990 517 HB VAL 69 HB VAL 69 -0.312 3.115 -3.765 518 HG11 VAL 69 HG11 VAL 69 1.552 2.025 -3.006 519 HG12 VAL 69 HG12 VAL 69 1.767 3.763 -2.771 520 HG13 VAL 69 HG13 VAL 69 2.629 2.924 -4.083 521 HG21 VAL 69 HG21 VAL 69 0.684 5.314 -4.153 522 HG22 VAL 69 HG22 VAL 69 -0.369 4.788 -5.463 523 HG23 VAL 69 HG23 VAL 69 1.384 4.709 -5.654 524 H GLY 70 HN GLY 70 0.698 2.439 -7.981 525 HA2 GLY 70 HA2 GLY 70 -1.841 3.573 -8.524 526 HA3 GLY 70 HA1 GLY 70 -0.695 2.930 -9.715 527 H ASP 71 HN ASP 71 -0.339 0.458 -8.931 528 HA ASP 71 HA ASP 71 -2.591 -0.990 -9.807 529 HB2 ASP 71 HB2 ASP 71 -0.186 -1.783 -9.884 530 HB3 ASP 71 HB1 ASP 71 -0.289 -2.025 -8.145 531 H ALA 72 HN ALA 72 -1.223 -0.314 -6.638 532 HA ALA 72 HA ALA 72 -3.068 -1.805 -5.126 533 HB1 ALA 72 HB1 ALA 72 -1.540 0.609 -4.193 534 HB2 ALA 72 HB2 ALA 72 -0.882 -1.029 -4.278 535 HB3 ALA 72 HB3 ALA 72 -2.229 -0.672 -3.198 536 H THR 73 HN THR 73 -3.249 1.473 -6.390 537 HA THR 73 HA THR 73 -5.199 2.391 -4.697 538 HB THR 73 HB THR 73 -4.618 3.225 -7.560 539 HG1 THR 73 HG1 THR 73 -3.039 3.571 -5.851 540 HG21 THR 73 HG21 THR 73 -5.892 5.249 -7.138 541 HG22 THR 73 HG22 THR 73 -6.262 4.707 -5.515 542 HG23 THR 73 HG23 THR 73 -6.963 3.858 -6.904 543 H LYS 74 HN LYS 74 -5.650 1.032 -7.998 544 HA LYS 74 HA LYS 74 -8.468 0.944 -8.019 545 HB2 LYS 74 HB2 LYS 74 -6.541 -0.994 -9.330 546 HB3 LYS 74 HB1 LYS 74 -8.265 -0.982 -9.617 547 HG2 LYS 74 HG2 LYS 74 -7.303 0.046 -11.451 548 HG3 LYS 74 HG1 LYS 74 -7.964 1.365 -10.480 549 HD2 LYS 74 HD2 LYS 74 -5.763 1.906 -9.651 550 HD3 LYS 74 HD1 LYS 74 -5.078 0.489 -10.440 551 HE2 LYS 74 HE2 LYS 74 -5.656 1.439 -12.633 552 HE3 LYS 74 HE1 LYS 74 -6.322 2.861 -11.832 553 HZ1 LYS 74 HZ1 LYS 74 -4.041 3.226 -12.640 554 HZ2 LYS 74 HZ2 LYS 74 -3.496 1.964 -11.678 555 HZ3 LYS 74 HZ3 LYS 74 -4.164 3.367 -10.959 556 H TYR 75 HN TYR 75 -6.101 -1.281 -6.881 557 HA TYR 75 HA TYR 75 -7.644 -3.462 -6.237 558 HB2 TYR 75 HB2 TYR 75 -5.251 -3.595 -6.310 559 HB3 TYR 75 HB1 TYR 75 -5.089 -2.414 -5.018 560 HD1 TYR 75 HD1 TYR 75 -6.174 -5.875 -5.792 561 HD2 TYR 75 HD2 TYR 75 -5.161 -3.048 -2.797 562 HE1 TYR 75 HE1 TYR 75 -6.081 -7.691 -4.132 563 HE2 TYR 75 HE2 TYR 75 -5.076 -4.817 -1.148 564 HH TYR 75 HH TYR 75 -5.656 -6.892 -0.742 565 H ILE 76 HN ILE 76 -6.534 -0.796 -4.214 566 HA ILE 76 HA ILE 76 -7.916 -1.550 -1.887 567 HB ILE 76 HB ILE 76 -6.556 0.998 -2.758 568 HG12 ILE 76 HG12 ILE 76 -5.833 -1.067 -0.675 569 HG13 ILE 76 HG11 ILE 76 -5.181 -1.002 -2.307 570 HG21 ILE 76 HG21 ILE 76 -8.335 1.637 -1.244 571 HG22 ILE 76 HG22 ILE 76 -6.753 1.827 -0.467 572 HG23 ILE 76 HG23 ILE 76 -7.781 0.452 -0.059 573 HD11 ILE 76 HD11 ILE 76 -3.635 -0.085 -0.679 574 HD12 ILE 76 HD12 ILE 76 -4.858 1.100 -0.189 575 HD13 ILE 76 HD13 ILE 76 -4.179 1.151 -1.818 576 H LEU 77 HN LEU 77 -8.778 0.444 -4.628 577 HA LEU 77 HA LEU 77 -11.007 1.562 -3.451 578 HB2 LEU 77 HB2 LEU 77 -10.413 1.039 -6.360 579 HB3 LEU 77 HB1 LEU 77 -11.857 1.884 -5.845 580 HG LEU 77 HG LEU 77 -9.025 2.811 -5.333 581 HD11 LEU 77 HD11 LEU 77 -11.071 3.798 -7.313 582 HD12 LEU 77 HD12 LEU 77 -9.586 2.924 -7.700 583 HD13 LEU 77 HD13 LEU 77 -9.502 4.536 -6.992 584 HD21 LEU 77 HD21 LEU 77 -10.602 3.558 -3.626 585 HD22 LEU 77 HD22 LEU 77 -11.670 4.192 -4.878 586 HD23 LEU 77 HD23 LEU 77 -10.070 4.898 -4.635 587 H ASP 78 HN ASP 78 -10.512 -1.447 -5.154 588 HA ASP 78 HA ASP 78 -13.264 -2.290 -5.196 589 HB2 ASP 78 HB2 ASP 78 -11.581 -3.103 -6.817 590 HB3 ASP 78 HB1 ASP 78 -10.724 -3.906 -5.511 591 H HIS 79 HN HIS 79 -10.548 -2.700 -3.128 592 HA HIS 79 HA HIS 79 -11.795 -4.677 -1.415 593 HB2 HIS 79 HB2 HIS 79 -9.093 -3.496 -1.585 594 HB3 HIS 79 HB1 HIS 79 -9.594 -4.257 -0.076 595 HD1 HIS 79 HD1 HIS 79 -9.310 -6.711 0.009 596 HD2 HIS 79 HD2 HIS 79 -9.454 -5.322 -3.899 597 HE1 HIS 79 HE1 HIS 79 -8.826 -8.721 -1.455 598 HE2 HIS 79 HE2 HIS 79 -8.965 -7.850 -3.819 599 H GLN 80 HN GLN 80 -12.436 -1.562 -1.536 600 HA GLN 80 HA GLN 80 -12.250 -1.245 1.362 601 HB2 GLN 80 HB2 GLN 80 -12.413 1.094 1.102 602 HB3 GLN 80 HB1 GLN 80 -11.179 0.419 0.051 603 HG2 GLN 80 HG2 GLN 80 -12.771 0.589 -1.844 604 HG3 GLN 80 HG1 GLN 80 -13.913 1.381 -0.762 605 HE21 GLN 80 HE21 GLN 80 -10.426 1.846 -0.762 606 HE22 GLN 80 HE22 GLN 80 -10.490 3.500 -1.300 607 H ALA 81 HN ALA 81 -13.873 -0.534 2.571 608 HA ALA 81 HA ALA 81 -16.436 0.068 1.572 609 HB1 ALA 81 HB1 ALA 81 -15.986 -2.454 3.212 610 HB2 ALA 81 HB2 ALA 81 -16.599 -2.400 1.560 611 HB3 ALA 81 HB3 ALA 81 -17.560 -1.733 2.879 612 H2 SOO 101 H2A SOO 101 3.447 -6.047 -0.666 613 H3 SOO 101 H3A SOO 101 1.822 -3.962 -2.276 614 H4 SOO 101 H4A SOO 101 1.665 -4.780 0.608 615 H4A SOO 101 H4B SOO 101 2.878 -3.532 0.330 616 H5 SOO 101 H5A SOO 101 -0.027 -3.342 -0.441 617 H5A SOO 101 H5B SOO 101 1.195 -2.087 -0.660 618 H6 SOO 101 H6A SOO 101 1.504 -1.942 1.751 619 H6A SOO 101 H6B SOO 101 0.348 -3.251 1.997 620 H7 SOO 101 H7A SOO 101 -0.319 -0.583 0.734 621 H7A SOO 101 H7B SOO 101 -0.654 -1.029 2.416 622 H8 SOO 101 H8C SOO 101 -2.633 -1.319 1.000 623 H8A SOO 101 H8A SOO 101 -2.070 -2.865 1.633 624 H8B SOO 101 H8B SOO 101 -1.728 -2.422 -0.040 625 H28 SOO 101 H28A SOO 101 10.934 -12.074 1.719 626 H28A SOO 101 H28B SOO 101 9.547 -10.980 1.737 627 H30 SOO 101 H30A SOO 101 7.675 -11.259 0.224 628 H30A SOO 101 H30B SOO 101 7.714 -12.466 -1.051 629 H30B SOO 101 H30C SOO 101 8.780 -11.071 -1.126 630 H31 SOO 101 H31A SOO 101 10.737 -12.534 -1.374 631 H31A SOO 101 H31B SOO 101 9.735 -13.984 -1.275 632 H31B SOO 101 H31C SOO 101 11.099 -13.778 -0.176 633 H32 SOO 101 H32A SOO 101 8.264 -14.442 0.675 634 HO33 SOO 101 H33A SOO 101 9.558 -14.035 2.908 635 HN36 SOO 101 H36A SOO 101 6.444 -12.742 0.956 636 H37 SOO 101 H37A SOO 101 4.769 -12.751 2.683 637 H37A SOO 101 H37B SOO 101 5.995 -12.079 3.780 638 H38 SOO 101 H38A SOO 101 4.429 -10.370 2.793 639 H38A SOO 101 H38B SOO 101 6.125 -10.091 2.474 640 HN41 SOO 101 H41A SOO 101 5.480 -8.791 0.774 641 H42 SOO 101 H42A SOO 101 5.911 -9.561 -1.765 642 H42A SOO 101 H42B SOO 101 4.185 -9.837 -1.559 643 H43 SOO 101 H43A SOO 101 5.649 -7.309 -1.171 644 H43A SOO 101 H43B SOO 101 3.942 -7.525 -0.735 Start of MODEL 5 1 H1 ALA 1 HT1 ALA 1 -13.373 4.049 4.281 2 H2 ALA 1 HT2 ALA 1 -12.271 3.062 3.509 3 H3 ALA 1 HT3 ALA 1 -13.924 2.641 3.488 4 HA ALA 1 HA ALA 1 -13.302 3.595 1.382 5 HB1 ALA 1 HB1 ALA 1 -14.798 5.525 1.316 6 HB2 ALA 1 HB2 ALA 1 -14.788 5.601 3.076 7 HB3 ALA 1 HB3 ALA 1 -15.504 4.211 2.258 8 H ALA 2 HN ALA 2 -11.920 4.881 0.257 9 HA ALA 2 HA ALA 2 -10.801 7.282 1.255 10 HB1 ALA 2 HB1 ALA 2 -8.978 4.872 1.060 11 HB2 ALA 2 HB2 ALA 2 -9.415 5.715 2.547 12 HB3 ALA 2 HB3 ALA 2 -8.461 6.539 1.315 13 H THR 3 HN THR 3 -10.240 8.443 -0.462 14 HA THR 3 HA THR 3 -10.650 7.371 -3.093 15 HB THR 3 HB THR 3 -10.145 9.704 -3.817 16 HG1 THR 3 HG1 THR 3 -9.970 10.264 -1.043 17 HG21 THR 3 HG21 THR 3 -12.424 9.089 -3.115 18 HG22 THR 3 HG22 THR 3 -12.030 10.762 -2.683 19 HG23 THR 3 HG23 THR 3 -11.989 9.499 -1.450 20 H GLN 4 HN GLN 4 -8.875 8.377 -4.824 21 HA GLN 4 HA GLN 4 -6.544 6.869 -4.601 22 HB2 GLN 4 HB2 GLN 4 -7.419 7.548 -6.755 23 HB3 GLN 4 HB1 GLN 4 -7.277 9.238 -6.345 24 HG2 GLN 4 HG2 GLN 4 -4.858 7.476 -6.571 25 HG3 GLN 4 HG1 GLN 4 -5.594 8.182 -8.014 26 HE21 GLN 4 HE21 GLN 4 -5.526 10.520 -8.177 27 HE22 GLN 4 HE22 GLN 4 -4.319 11.413 -7.311 28 H GLU 5 HN GLU 5 -7.149 10.302 -4.102 29 HA GLU 5 HA GLU 5 -4.519 11.043 -3.456 30 HB2 GLU 5 HB2 GLU 5 -7.089 12.315 -2.505 31 HB3 GLU 5 HB1 GLU 5 -5.503 13.076 -2.543 32 HG2 GLU 5 HG2 GLU 5 -5.474 12.891 -4.981 33 HG3 GLU 5 HG1 GLU 5 -7.064 12.135 -4.935 34 H GLU 6 HN GLU 6 -6.949 9.463 -1.595 35 HA GLU 6 HA GLU 6 -5.609 10.019 0.881 36 HB2 GLU 6 HB2 GLU 6 -8.024 8.351 0.260 37 HB3 GLU 6 HB1 GLU 6 -7.382 8.625 1.877 38 HG2 GLU 6 HG2 GLU 6 -7.785 10.995 1.673 39 HG3 GLU 6 HG1 GLU 6 -8.312 10.787 0.007 40 H ILE 7 HN ILE 7 -6.170 7.331 -1.307 41 HA ILE 7 HA ILE 7 -4.877 5.328 0.173 42 HB ILE 7 HB ILE 7 -5.324 5.596 -2.817 43 HG12 ILE 7 HG12 ILE 7 -6.734 3.899 -0.742 44 HG13 ILE 7 HG11 ILE 7 -7.343 5.419 -1.378 45 HG21 ILE 7 HG21 ILE 7 -4.376 3.168 -1.279 46 HG22 ILE 7 HG22 ILE 7 -3.421 4.106 -2.425 47 HG23 ILE 7 HG23 ILE 7 -4.819 3.192 -2.987 48 HD11 ILE 7 HD11 ILE 7 -6.861 2.903 -2.951 49 HD12 ILE 7 HD12 ILE 7 -7.459 4.426 -3.608 50 HD13 ILE 7 HD13 ILE 7 -8.426 3.531 -2.435 51 H VAL 8 HN VAL 8 -3.683 7.089 -2.651 52 HA VAL 8 HA VAL 8 -1.080 6.073 -2.619 53 HB VAL 8 HB VAL 8 -2.112 8.719 -3.690 54 HG11 VAL 8 HG11 VAL 8 0.383 7.193 -4.385 55 HG12 VAL 8 HG12 VAL 8 0.322 8.725 -3.498 56 HG13 VAL 8 HG13 VAL 8 -0.193 8.657 -5.189 57 HG21 VAL 8 HG21 VAL 8 -3.279 6.788 -4.574 58 HG22 VAL 8 HG22 VAL 8 -1.742 6.038 -5.001 59 HG23 VAL 8 HG23 VAL 8 -2.254 7.517 -5.809 60 H ALA 9 HN ALA 9 -2.083 9.324 -1.617 61 HA ALA 9 HA ALA 9 0.382 10.018 -0.468 62 HB1 ALA 9 HB1 ALA 9 -0.780 11.968 0.411 63 HB2 ALA 9 HB2 ALA 9 -2.335 11.194 0.072 64 HB3 ALA 9 HB3 ALA 9 -1.273 11.647 -1.256 65 H GLY 10 HN GLY 10 -2.349 8.286 0.849 66 HA2 GLY 10 HA2 GLY 10 -1.572 8.736 3.604 67 HA3 GLY 10 HA1 GLY 10 -2.914 7.755 3.032 68 H LEU 11 HN LEU 11 -1.290 6.229 1.193 69 HA LEU 11 HA LEU 11 -0.520 4.047 2.732 70 HB2 LEU 11 HB2 LEU 11 -0.839 4.655 0.085 71 HB3 LEU 11 HB1 LEU 11 0.903 4.481 0.198 72 HG LEU 11 HG LEU 11 -1.104 2.394 1.055 73 HD11 LEU 11 HD11 LEU 11 -1.254 2.763 -1.328 74 HD12 LEU 11 HD12 LEU 11 -0.500 1.204 -0.993 75 HD13 LEU 11 HD13 LEU 11 0.492 2.578 -1.490 76 HD21 LEU 11 HD21 LEU 11 0.821 0.862 1.026 77 HD22 LEU 11 HD22 LEU 11 1.041 2.174 2.184 78 HD23 LEU 11 HD23 LEU 11 1.879 2.216 0.636 79 H ALA 12 HN ALA 12 1.239 6.647 1.262 80 HA ALA 12 HA ALA 12 3.835 5.907 1.915 81 HB1 ALA 12 HB1 ALA 12 3.247 7.581 0.256 82 HB2 ALA 12 HB2 ALA 12 4.426 8.165 1.430 83 HB3 ALA 12 HB3 ALA 12 2.736 8.669 1.551 84 H GLU 13 HN GLU 13 1.370 7.461 3.847 85 HA GLU 13 HA GLU 13 3.121 8.506 5.821 86 HB2 GLU 13 HB2 GLU 13 0.201 7.759 6.045 87 HB3 GLU 13 HB1 GLU 13 1.096 8.754 7.186 88 HG2 GLU 13 HG2 GLU 13 1.452 10.426 5.434 89 HG3 GLU 13 HG1 GLU 13 0.539 9.421 4.309 90 H ILE 14 HN ILE 14 1.187 5.564 5.574 91 HA ILE 14 HA ILE 14 2.183 4.525 8.032 92 HB ILE 14 HB ILE 14 0.696 3.108 5.775 93 HG12 ILE 14 HG12 ILE 14 -1.114 2.881 7.512 94 HG13 ILE 14 HG11 ILE 14 -0.149 3.875 8.585 95 HG21 ILE 14 HG21 ILE 14 0.480 1.161 7.254 96 HG22 ILE 14 HG22 ILE 14 1.549 1.943 8.421 97 HG23 ILE 14 HG23 ILE 14 2.162 1.486 6.832 98 HD11 ILE 14 HD11 ILE 14 -1.337 4.724 5.957 99 HD12 ILE 14 HD12 ILE 14 -0.375 5.742 7.028 100 HD13 ILE 14 HD13 ILE 14 -1.943 5.136 7.561 101 H VAL 15 HN VAL 15 3.135 4.196 4.680 102 HA VAL 15 HA VAL 15 5.209 2.330 5.025 103 HB VAL 15 HB VAL 15 4.937 4.595 3.006 104 HG11 VAL 15 HG11 VAL 15 6.688 3.474 1.703 105 HG12 VAL 15 HG12 VAL 15 6.957 2.348 3.039 106 HG13 VAL 15 HG13 VAL 15 7.284 4.073 3.246 107 HG21 VAL 15 HG21 VAL 15 4.550 1.619 2.749 108 HG22 VAL 15 HG22 VAL 15 4.394 2.796 1.447 109 HG23 VAL 15 HG23 VAL 15 3.272 2.833 2.808 110 H ASN 16 HN ASN 16 5.032 5.737 5.610 111 HA ASN 16 HA ASN 16 7.790 6.223 6.010 112 HB2 ASN 16 HB2 ASN 16 5.932 7.878 5.472 113 HB3 ASN 16 HB1 ASN 16 5.482 7.771 7.166 114 HD21 ASN 16 HD21 ASN 16 7.840 8.743 4.911 115 HD22 ASN 16 HD22 ASN 16 8.675 9.874 5.914 116 H GLU 17 HN GLU 17 5.150 5.194 8.038 117 HA GLU 17 HA GLU 17 6.514 5.472 10.533 118 HB2 GLU 17 HB2 GLU 17 4.177 3.694 9.822 119 HB3 GLU 17 HB1 GLU 17 4.689 4.132 11.445 120 HG2 GLU 17 HG2 GLU 17 3.677 5.996 9.349 121 HG3 GLU 17 HG1 GLU 17 2.726 5.381 10.705 122 H ILE 18 HN ILE 18 5.624 2.681 8.559 123 HA ILE 18 HA ILE 18 6.965 0.727 10.123 124 HB ILE 18 HB ILE 18 6.184 0.557 7.207 125 HG12 ILE 18 HG12 ILE 18 4.247 1.199 8.576 126 HG13 ILE 18 HG11 ILE 18 4.082 -0.437 7.961 127 HG21 ILE 18 HG21 ILE 18 7.690 -1.228 7.872 128 HG22 ILE 18 HG22 ILE 18 6.069 -1.869 7.603 129 HG23 ILE 18 HG23 ILE 18 6.655 -1.618 9.247 130 HD11 ILE 18 HD11 ILE 18 3.287 -0.275 10.207 131 HD12 ILE 18 HD12 ILE 18 4.850 0.340 10.767 132 HD13 ILE 18 HD13 ILE 18 4.711 -1.313 10.155 133 H ALA 19 HN ALA 19 7.785 2.232 7.008 134 HA ALA 19 HA ALA 19 10.413 0.940 7.150 135 HB1 ALA 19 HB1 ALA 19 9.087 0.465 5.146 136 HB2 ALA 19 HB2 ALA 19 10.585 1.309 4.755 137 HB3 ALA 19 HB3 ALA 19 9.055 2.186 4.763 138 H GLY 20 HN GLY 20 8.974 4.075 6.313 139 HA2 GLY 20 HA2 GLY 20 10.000 6.069 7.316 140 HA3 GLY 20 HA1 GLY 20 11.563 5.297 7.071 141 H ILE 21 HN ILE 21 9.447 4.770 4.535 142 HA ILE 21 HA ILE 21 10.984 6.357 2.724 143 HB ILE 21 HB ILE 21 8.449 4.734 2.340 144 HG12 ILE 21 HG12 ILE 21 10.357 3.349 2.919 145 HG13 ILE 21 HG11 ILE 21 9.913 3.088 1.239 146 HG21 ILE 21 HG21 ILE 21 10.166 5.975 0.209 147 HG22 ILE 21 HG22 ILE 21 8.517 6.435 0.635 148 HG23 ILE 21 HG23 ILE 21 8.837 4.848 -0.065 149 HD11 ILE 21 HD11 ILE 21 12.325 3.158 1.520 150 HD12 ILE 21 HD12 ILE 21 12.211 4.774 2.220 151 HD13 ILE 21 HD13 ILE 21 11.774 4.512 0.532 152 HA PRO 22 HA PRO 22 9.036 10.294 3.242 153 HB2 PRO 22 HB2 PRO 22 9.387 10.383 0.277 154 HB3 PRO 22 HB1 PRO 22 9.798 11.599 1.496 155 HG2 PRO 22 HG2 PRO 22 11.699 10.091 0.458 156 HG3 PRO 22 HG1 PRO 22 11.694 10.445 2.196 157 HD2 PRO 22 HD2 PRO 22 10.938 7.939 0.771 158 HD3 PRO 22 HD1 PRO 22 11.737 8.148 2.340 159 H VAL 23 HN VAL 23 7.119 11.200 3.097 160 HA VAL 23 HA VAL 23 4.963 9.558 2.305 161 HB VAL 23 HB VAL 23 3.474 11.337 3.126 162 HG11 VAL 23 HG11 VAL 23 5.791 10.743 4.938 163 HG12 VAL 23 HG12 VAL 23 4.367 9.733 4.686 164 HG13 VAL 23 HG13 VAL 23 4.201 11.316 5.446 165 HG21 VAL 23 HG21 VAL 23 4.430 13.377 4.119 166 HG22 VAL 23 HG22 VAL 23 4.752 13.277 2.381 167 HG23 VAL 23 HG23 VAL 23 6.026 12.887 3.533 168 H GLU 24 HN GLU 24 6.652 11.980 0.598 169 HA GLU 24 HA GLU 24 4.562 12.026 -1.465 170 HB2 GLU 24 HB2 GLU 24 6.922 13.795 -0.888 171 HB3 GLU 24 HB1 GLU 24 6.111 13.829 -2.447 172 HG2 GLU 24 HG2 GLU 24 4.725 14.212 0.156 173 HG3 GLU 24 HG1 GLU 24 5.360 15.568 -0.803 174 H ASP 25 HN ASP 25 6.591 9.940 -0.752 175 HA ASP 25 HA ASP 25 7.938 9.801 -3.366 176 HB2 ASP 25 HB2 ASP 25 9.412 9.754 -1.414 177 HB3 ASP 25 HB1 ASP 25 8.619 8.292 -0.849 178 H VAL 26 HN VAL 26 5.587 8.123 -1.363 179 HA VAL 26 HA VAL 26 5.638 5.816 -3.106 180 HB VAL 26 HB VAL 26 3.906 6.446 -0.676 181 HG11 VAL 26 HG11 VAL 26 3.374 4.060 -0.654 182 HG12 VAL 26 HG12 VAL 26 4.306 3.840 -2.133 183 HG13 VAL 26 HG13 VAL 26 2.848 4.831 -2.150 184 HG21 VAL 26 HG21 VAL 26 6.367 4.718 -0.870 185 HG22 VAL 26 HG22 VAL 26 5.330 4.870 0.545 186 HG23 VAL 26 HG23 VAL 26 6.241 6.268 -0.037 187 H LYS 27 HN LYS 27 5.069 7.093 -4.901 188 HA LYS 27 HA LYS 27 2.309 8.006 -4.832 189 HB2 LYS 27 HB2 LYS 27 4.517 9.069 -6.601 190 HB3 LYS 27 HB1 LYS 27 2.832 9.585 -6.596 191 HG2 LYS 27 HG2 LYS 27 3.105 10.248 -4.214 192 HG3 LYS 27 HG1 LYS 27 4.831 9.935 -4.397 193 HD2 LYS 27 HD2 LYS 27 3.214 11.913 -6.009 194 HD3 LYS 27 HD1 LYS 27 4.288 12.311 -4.672 195 HE2 LYS 27 HE2 LYS 27 6.186 11.430 -5.946 196 HE3 LYS 27 HE1 LYS 27 5.102 11.033 -7.280 197 HZ1 LYS 27 HZ1 LYS 27 6.226 13.132 -7.666 198 HZ2 LYS 27 HZ2 LYS 27 5.604 13.748 -6.204 199 HZ3 LYS 27 HZ3 LYS 27 4.559 13.409 -7.460 200 H LEU 28 HN LEU 28 1.504 8.204 -7.338 201 HA LEU 28 HA LEU 28 0.632 5.656 -7.807 202 HB2 LEU 28 HB2 LEU 28 0.452 8.120 -9.456 203 HB3 LEU 28 HB1 LEU 28 -0.147 6.601 -10.077 204 HG LEU 28 HG LEU 28 -1.099 7.754 -7.450 205 HD11 LEU 28 HD11 LEU 28 -1.656 9.306 -9.275 206 HD12 LEU 28 HD12 LEU 28 -3.087 8.473 -8.667 207 HD13 LEU 28 HD13 LEU 28 -2.355 7.967 -10.191 208 HD21 LEU 28 HD21 LEU 28 -2.936 6.194 -7.776 209 HD22 LEU 28 HD22 LEU 28 -1.394 5.332 -7.792 210 HD23 LEU 28 HD23 LEU 28 -2.232 5.668 -9.303 211 H ASP 29 HN ASP 29 3.612 6.869 -9.144 212 HA ASP 29 HA ASP 29 3.489 4.700 -11.131 213 HB2 ASP 29 HB2 ASP 29 4.006 7.101 -11.861 214 HB3 ASP 29 HB1 ASP 29 5.534 6.938 -11.009 215 H LYS 30 HN LYS 30 4.218 4.723 -8.060 216 HA LYS 30 HA LYS 30 6.910 3.648 -8.318 217 HB2 LYS 30 HB2 LYS 30 5.463 4.764 -5.929 218 HB3 LYS 30 HB1 LYS 30 7.014 3.956 -5.858 219 HG2 LYS 30 HG2 LYS 30 6.438 6.531 -7.327 220 HG3 LYS 30 HG1 LYS 30 7.212 6.396 -5.751 221 HD2 LYS 30 HD2 LYS 30 9.074 6.579 -7.071 222 HD3 LYS 30 HD1 LYS 30 8.873 4.831 -7.105 223 HE2 LYS 30 HE2 LYS 30 7.578 5.115 -9.254 224 HE3 LYS 30 HE1 LYS 30 8.013 6.815 -9.196 225 HZ1 LYS 30 HZ1 LYS 30 9.874 4.514 -9.481 226 HZ2 LYS 30 HZ2 LYS 30 10.361 6.098 -9.157 227 HZ3 LYS 30 HZ3 LYS 30 9.515 5.751 -10.589 228 H SER 31 HN SER 31 7.234 1.660 -8.098 229 HA SER 31 HA SER 31 5.114 -0.130 -7.323 230 HB2 SER 31 HB2 SER 31 7.946 -0.725 -8.045 231 HB3 SER 31 HB1 SER 31 6.533 -1.775 -8.241 232 HG SER 31 HG SER 31 7.412 0.422 -9.702 233 H PHE 32 HN PHE 32 5.065 -1.018 -5.379 234 HA PHE 32 HA PHE 32 6.603 -0.292 -3.155 235 HB2 PHE 32 HB2 PHE 32 5.212 -2.952 -3.532 236 HB3 PHE 32 HB1 PHE 32 5.689 -2.233 -2.002 237 HD1 PHE 32 HD1 PHE 32 4.647 0.144 -1.557 238 HD2 PHE 32 HD2 PHE 32 3.062 -2.766 -4.216 239 HE1 PHE 32 HE1 PHE 32 2.420 1.159 -1.344 240 HE2 PHE 32 HE2 PHE 32 0.839 -1.755 -4.017 241 HZ PHE 32 HZ PHE 32 0.513 0.208 -2.579 242 H THR 33 HN THR 33 6.677 -3.583 -4.540 243 HA THR 33 HA THR 33 9.342 -3.942 -3.573 244 HB THR 33 HB THR 33 8.798 -6.304 -4.587 245 HG1 THR 33 HG1 THR 33 6.217 -6.156 -4.065 246 HG21 THR 33 HG21 THR 33 7.663 -6.903 -2.482 247 HG22 THR 33 HG22 THR 33 7.358 -5.193 -2.169 248 HG23 THR 33 HG23 THR 33 9.010 -5.804 -2.191 249 H ASP 34 HN ASP 34 9.389 -2.098 -5.575 250 HA ASP 34 HA ASP 34 11.154 -3.324 -7.476 251 HB2 ASP 34 HB2 ASP 34 8.921 -3.946 -8.422 252 HB3 ASP 34 HB1 ASP 34 8.577 -2.248 -8.673 253 H ASP 35 HN ASP 35 9.604 -0.460 -6.235 254 HA ASP 35 HA ASP 35 11.826 1.154 -7.334 255 HB2 ASP 35 HB2 ASP 35 8.985 1.996 -6.723 256 HB3 ASP 35 HB1 ASP 35 10.297 3.138 -6.914 257 H LEU 36 HN LEU 36 9.428 0.896 -4.801 258 HA LEU 36 HA LEU 36 10.547 2.854 -3.125 259 HB2 LEU 36 HB2 LEU 36 8.503 0.754 -2.517 260 HB3 LEU 36 HB1 LEU 36 8.859 2.156 -1.528 261 HG LEU 36 HG LEU 36 7.739 2.213 -4.324 262 HD11 LEU 36 HD11 LEU 36 6.457 2.785 -1.666 263 HD12 LEU 36 HD12 LEU 36 6.138 1.393 -2.705 264 HD13 LEU 36 HD13 LEU 36 5.707 3.018 -3.244 265 HD21 LEU 36 HD21 LEU 36 8.270 4.437 -2.366 266 HD22 LEU 36 HD22 LEU 36 7.471 4.606 -3.940 267 HD23 LEU 36 HD23 LEU 36 9.165 4.101 -3.848 268 H ASP 37 HN ASP 37 10.461 -0.659 -2.805 269 HA ASP 37 HA ASP 37 11.478 -2.116 -1.448 270 HB2 ASP 37 HB2 ASP 37 13.584 0.048 -1.110 271 HB3 ASP 37 HB1 ASP 37 13.680 -1.487 -0.269 272 H VAL 38 HN VAL 38 9.817 -2.236 -0.183 273 HA VAL 38 HA VAL 38 9.798 -0.540 2.234 274 HB VAL 38 HB VAL 38 7.422 -2.130 1.203 275 HG11 VAL 38 HG11 VAL 38 7.572 0.258 3.036 276 HG12 VAL 38 HG12 VAL 38 7.250 -1.412 3.507 277 HG13 VAL 38 HG13 VAL 38 6.086 -0.539 2.509 278 HG21 VAL 38 HG21 VAL 38 6.548 -0.081 0.160 279 HG22 VAL 38 HG22 VAL 38 8.054 -0.610 -0.592 280 HG23 VAL 38 HG23 VAL 38 8.061 0.744 0.535 281 H ASP 39 HN ASP 39 11.507 -2.713 1.923 282 HA ASP 39 HA ASP 39 12.410 -4.349 3.129 283 HB2 ASP 39 HB2 ASP 39 11.629 -3.262 5.146 284 HB3 ASP 39 HB1 ASP 39 10.044 -4.007 4.976 285 H SER 40 HN SER 40 9.165 -4.714 2.246 286 HA SER 40 HA SER 40 7.986 -6.186 1.182 287 HB2 SER 40 HB2 SER 40 8.927 -8.141 0.013 288 HB3 SER 40 HB1 SER 40 9.852 -6.669 -0.270 289 H LEU 41 HN LEU 41 9.864 -7.764 3.696 290 HA LEU 41 HA LEU 41 7.565 -9.477 4.076 291 HB2 LEU 41 HB2 LEU 41 8.825 -10.622 5.874 292 HB3 LEU 41 HB1 LEU 41 9.648 -10.640 4.334 293 HG LEU 41 HG LEU 41 11.029 -8.688 5.293 294 HD11 LEU 41 HD11 LEU 41 9.933 -9.828 7.870 295 HD12 LEU 41 HD12 LEU 41 9.617 -8.223 7.213 296 HD13 LEU 41 HD13 LEU 41 11.249 -8.648 7.732 297 HD21 LEU 41 HD21 LEU 41 11.931 -10.902 4.877 298 HD22 LEU 41 HD22 LEU 41 11.295 -11.469 6.423 299 HD23 LEU 41 HD23 LEU 41 12.570 -10.251 6.385 300 H SER 42 HN SER 42 9.081 -6.798 5.755 301 HA SER 42 HA SER 42 7.157 -6.804 7.846 302 HB2 SER 42 HB2 SER 42 9.004 -4.563 6.986 303 HB3 SER 42 HB1 SER 42 8.160 -4.688 8.532 304 HG SER 42 HG SER 42 10.240 -6.219 7.474 305 H MET 43 HN MET 43 7.085 -5.980 4.674 306 HA MET 43 HA MET 43 5.695 -3.645 4.617 307 HB2 MET 43 HB2 MET 43 5.958 -3.898 2.417 308 HB3 MET 43 HB1 MET 43 6.555 -5.519 2.717 309 HG2 MET 43 HG2 MET 43 3.661 -4.824 2.248 310 HG3 MET 43 HG1 MET 43 4.773 -5.384 1.003 311 HE1 MET 43 HE1 MET 43 1.873 -6.710 1.923 312 HE2 MET 43 HE2 MET 43 2.351 -8.408 1.680 313 HE3 MET 43 HE3 MET 43 2.849 -7.189 0.526 314 H VAL 44 HN VAL 44 4.514 -6.818 5.432 315 HA VAL 44 HA VAL 44 1.822 -6.373 4.894 316 HB VAL 44 HB VAL 44 2.942 -8.261 7.013 317 HG11 VAL 44 HG11 VAL 44 0.562 -7.866 7.356 318 HG12 VAL 44 HG12 VAL 44 0.846 -9.509 6.778 319 HG13 VAL 44 HG13 VAL 44 0.240 -8.278 5.671 320 HG21 VAL 44 HG21 VAL 44 3.823 -8.722 4.789 321 HG22 VAL 44 HG22 VAL 44 2.171 -8.799 4.157 322 HG23 VAL 44 HG23 VAL 44 2.727 -10.000 5.322 323 H GLU 45 HN GLU 45 3.883 -5.326 7.436 324 HA GLU 45 HA GLU 45 1.877 -4.731 9.340 325 HB2 GLU 45 HB2 GLU 45 4.656 -3.558 9.105 326 HB3 GLU 45 HB1 GLU 45 3.624 -3.498 10.528 327 HG2 GLU 45 HG2 GLU 45 3.679 -5.984 10.582 328 HG3 GLU 45 HG1 GLU 45 4.872 -5.929 9.287 329 H VAL 46 HN VAL 46 3.399 -3.071 6.686 330 HA VAL 46 HA VAL 46 2.229 -0.527 7.024 331 HB VAL 46 HB VAL 46 2.768 -1.961 4.387 332 HG11 VAL 46 HG11 VAL 46 1.330 -0.026 4.079 333 HG12 VAL 46 HG12 VAL 46 2.918 0.292 3.398 334 HG13 VAL 46 HG13 VAL 46 2.472 0.992 4.947 335 HG21 VAL 46 HG21 VAL 46 4.802 -1.867 5.712 336 HG22 VAL 46 HG22 VAL 46 4.587 -0.131 5.948 337 HG23 VAL 46 HG23 VAL 46 4.916 -0.770 4.336 338 H VAL 47 HN VAL 47 1.309 -3.359 5.139 339 HA VAL 47 HA VAL 47 -1.120 -2.648 4.079 340 HB VAL 47 HB VAL 47 -0.458 -5.394 5.170 341 HG11 VAL 47 HG11 VAL 47 -2.364 -4.547 2.987 342 HG12 VAL 47 HG12 VAL 47 -2.806 -5.153 4.581 343 HG13 VAL 47 HG13 VAL 47 -1.987 -6.212 3.432 344 HG21 VAL 47 HG21 VAL 47 0.370 -5.886 2.921 345 HG22 VAL 47 HG22 VAL 47 1.306 -4.610 3.705 346 HG23 VAL 47 HG23 VAL 47 0.119 -4.201 2.466 347 H VAL 48 HN VAL 48 -0.676 -4.313 7.219 348 HA VAL 48 HA VAL 48 -3.372 -4.495 7.892 349 HB VAL 48 HB VAL 48 -1.332 -5.555 8.923 350 HG11 VAL 48 HG11 VAL 48 -0.062 -3.765 9.611 351 HG12 VAL 48 HG12 VAL 48 -0.528 -4.677 11.062 352 HG13 VAL 48 HG13 VAL 48 -1.359 -3.166 10.644 353 HG21 VAL 48 HG21 VAL 48 -2.485 -6.035 11.066 354 HG22 VAL 48 HG22 VAL 48 -3.538 -6.147 9.652 355 HG23 VAL 48 HG23 VAL 48 -3.613 -4.730 10.698 356 H ALA 49 HN ALA 49 -1.185 -1.990 8.491 357 HA ALA 49 HA ALA 49 -3.079 -0.381 10.004 358 HB1 ALA 49 HB1 ALA 49 -0.693 -0.221 10.531 359 HB2 ALA 49 HB2 ALA 49 -1.397 1.344 10.110 360 HB3 ALA 49 HB3 ALA 49 -0.395 0.486 8.935 361 H ALA 50 HN ALA 50 -1.920 -0.526 6.736 362 HA ALA 50 HA ALA 50 -3.164 1.822 5.790 363 HB1 ALA 50 HB1 ALA 50 -2.920 0.816 3.563 364 HB2 ALA 50 HB2 ALA 50 -2.525 -0.735 4.302 365 HB3 ALA 50 HB3 ALA 50 -1.435 0.638 4.499 366 H GLU 51 HN GLU 51 -4.209 -1.490 6.261 367 HA GLU 51 HA GLU 51 -6.712 -1.384 5.095 368 HB2 GLU 51 HB2 GLU 51 -5.899 -2.847 7.609 369 HB3 GLU 51 HB1 GLU 51 -7.411 -3.103 6.758 370 HG2 GLU 51 HG2 GLU 51 -6.167 -3.866 4.807 371 HG3 GLU 51 HG1 GLU 51 -4.657 -3.627 5.686 372 H GLU 52 HN GLU 52 -5.622 -0.454 8.272 373 HA GLU 52 HA GLU 52 -8.093 0.358 9.318 374 HB2 GLU 52 HB2 GLU 52 -6.142 -0.156 10.684 375 HB3 GLU 52 HB1 GLU 52 -5.284 1.214 10.006 376 HG2 GLU 52 HG2 GLU 52 -6.871 2.735 11.054 377 HG3 GLU 52 HG1 GLU 52 -7.755 1.359 11.720 378 H ARG 53 HN ARG 53 -5.423 2.123 7.856 379 HA ARG 53 HA ARG 53 -6.326 4.735 8.048 380 HB2 ARG 53 HB2 ARG 53 -4.041 4.075 7.447 381 HB3 ARG 53 HB1 ARG 53 -4.611 3.548 5.873 382 HG2 ARG 53 HG2 ARG 53 -3.514 5.731 5.768 383 HG3 ARG 53 HG1 ARG 53 -5.218 5.839 5.309 384 HD2 ARG 53 HD2 ARG 53 -5.810 6.784 7.392 385 HD3 ARG 53 HD1 ARG 53 -4.247 6.386 8.097 386 HE ARG 53 HE ARG 53 -4.002 8.135 5.868 387 HH11 ARG 53 HH11 ARG 53 -5.143 8.168 9.190 388 HH12 ARG 53 HH12 ARG 53 -4.368 9.602 9.655 389 HH21 ARG 53 HH21 ARG 53 -2.914 10.159 6.431 390 HH22 ARG 53 HH22 ARG 53 -3.088 10.788 8.003 391 H PHE 54 HN PHE 54 -6.807 2.488 5.326 392 HA PHE 54 HA PHE 54 -8.372 4.535 3.920 393 HB2 PHE 54 HB2 PHE 54 -7.868 1.703 3.016 394 HB3 PHE 54 HB1 PHE 54 -8.369 3.073 2.042 395 HD1 PHE 54 HD1 PHE 54 -6.564 5.142 2.752 396 HD2 PHE 54 HD2 PHE 54 -5.830 0.992 2.267 397 HE1 PHE 54 HE1 PHE 54 -4.207 5.625 2.152 398 HE2 PHE 54 HE2 PHE 54 -3.498 1.444 1.685 399 HZ PHE 54 HZ PHE 54 -2.636 3.709 1.739 400 H ASP 55 HN ASP 55 -8.925 2.256 6.207 401 HA ASP 55 HA ASP 55 -10.449 0.765 6.775 402 HB2 ASP 55 HB2 ASP 55 -11.810 2.816 7.187 403 HB3 ASP 55 HB1 ASP 55 -12.438 2.713 5.545 404 H VAL 56 HN VAL 56 -9.435 -0.528 5.344 405 HA VAL 56 HA VAL 56 -11.214 -1.614 3.330 406 HB VAL 56 HB VAL 56 -9.460 -0.082 2.232 407 HG11 VAL 56 HG11 VAL 56 -7.538 -2.224 3.055 408 HG12 VAL 56 HG12 VAL 56 -7.528 -0.532 3.570 409 HG13 VAL 56 HG13 VAL 56 -7.205 -0.959 1.884 410 HG21 VAL 56 HG21 VAL 56 -8.929 -1.617 0.382 411 HG22 VAL 56 HG22 VAL 56 -10.613 -1.739 0.894 412 HG23 VAL 56 HG23 VAL 56 -9.450 -2.974 1.380 413 H LYS 57 HN LYS 57 -9.827 -3.767 2.581 414 HA LYS 57 HA LYS 57 -8.687 -5.060 4.925 415 HB2 LYS 57 HB2 LYS 57 -10.979 -6.297 3.365 416 HB3 LYS 57 HB1 LYS 57 -10.088 -7.051 4.653 417 HG2 LYS 57 HG2 LYS 57 -12.200 -6.493 5.559 418 HG3 LYS 57 HG1 LYS 57 -11.083 -5.298 6.207 419 HD2 LYS 57 HD2 LYS 57 -13.200 -4.263 5.540 420 HD3 LYS 57 HD1 LYS 57 -11.871 -3.670 4.549 421 HE2 LYS 57 HE2 LYS 57 -13.813 -4.083 3.173 422 HE3 LYS 57 HE1 LYS 57 -12.551 -5.226 2.749 423 HZ1 LYS 57 HZ1 LYS 57 -14.907 -5.776 4.476 424 HZ2 LYS 57 HZ2 LYS 57 -13.738 -6.918 4.098 425 HZ3 LYS 57 HZ3 LYS 57 -14.717 -6.264 2.875 426 H ILE 58 HN ILE 58 -6.906 -6.011 4.145 427 HA ILE 58 HA ILE 58 -7.095 -7.341 1.580 428 HB ILE 58 HB ILE 58 -4.535 -5.814 1.848 429 HG12 ILE 58 HG12 ILE 58 -7.016 -4.470 0.730 430 HG13 ILE 58 HG11 ILE 58 -6.322 -4.049 2.298 431 HG21 ILE 58 HG21 ILE 58 -5.021 -7.411 0.025 432 HG22 ILE 58 HG22 ILE 58 -4.797 -5.770 -0.604 433 HG23 ILE 58 HG23 ILE 58 -6.420 -6.428 -0.430 434 HD11 ILE 58 HD11 ILE 58 -5.663 -2.461 0.587 435 HD12 ILE 58 HD12 ILE 58 -4.996 -3.769 -0.393 436 HD13 ILE 58 HD13 ILE 58 -4.260 -3.365 1.156 437 HA PRO 59 HA PRO 59 -4.913 -10.094 4.467 438 HB2 PRO 59 HB2 PRO 59 -5.516 -12.024 2.296 439 HB3 PRO 59 HB1 PRO 59 -5.930 -12.082 4.018 440 HG2 PRO 59 HG2 PRO 59 -7.789 -11.623 2.136 441 HG3 PRO 59 HG1 PRO 59 -7.865 -10.901 3.754 442 HD2 PRO 59 HD2 PRO 59 -7.024 -9.682 1.166 443 HD3 PRO 59 HD1 PRO 59 -7.963 -8.976 2.497 444 H ASP 60 HN ASP 60 -2.916 -11.512 4.088 445 HA ASP 60 HA ASP 60 -1.119 -9.989 2.524 446 HB2 ASP 60 HB2 ASP 60 0.688 -11.320 3.220 447 HB3 ASP 60 HB1 ASP 60 -0.421 -11.363 4.580 448 H ASP 61 HN ASP 61 -2.645 -13.086 1.817 449 HA ASP 61 HA ASP 61 -1.195 -13.439 -0.626 450 HB2 ASP 61 HB2 ASP 61 -3.786 -14.655 0.287 451 HB3 ASP 61 HB1 ASP 61 -3.164 -14.925 -1.332 452 H ASP 62 HN ASP 62 -3.669 -11.403 0.216 453 HA ASP 62 HA ASP 62 -4.657 -11.104 -2.482 454 HB2 ASP 62 HB2 ASP 62 -5.724 -10.706 0.052 455 HB3 ASP 62 HB1 ASP 62 -5.475 -9.085 -0.597 456 H VAL 63 HN VAL 63 -2.810 -9.267 -0.077 457 HA VAL 63 HA VAL 63 -2.548 -7.022 -1.771 458 HB VAL 63 HB VAL 63 -2.508 -6.702 0.635 459 HG11 VAL 63 HG11 VAL 63 -0.606 -7.361 2.013 460 HG12 VAL 63 HG12 VAL 63 0.081 -8.220 0.637 461 HG13 VAL 63 HG13 VAL 63 -1.450 -8.753 1.333 462 HG21 VAL 63 HG21 VAL 63 -0.548 -5.242 0.847 463 HG22 VAL 63 HG22 VAL 63 -1.356 -5.039 -0.715 464 HG23 VAL 63 HG23 VAL 63 0.133 -5.985 -0.600 465 H LYS 64 HN LYS 64 -0.624 -9.907 -1.395 466 HA LYS 64 HA LYS 64 1.765 -8.881 -2.461 467 HB2 LYS 64 HB2 LYS 64 2.461 -11.218 -2.840 468 HB3 LYS 64 HB1 LYS 64 1.790 -10.968 -1.239 469 HG2 LYS 64 HG2 LYS 64 -0.364 -11.914 -2.086 470 HG3 LYS 64 HG1 LYS 64 0.474 -12.308 -3.585 471 HD2 LYS 64 HD2 LYS 64 0.344 -14.242 -2.053 472 HD3 LYS 64 HD1 LYS 64 2.017 -13.763 -2.365 473 HE2 LYS 64 HE2 LYS 64 2.252 -12.796 -0.252 474 HE3 LYS 64 HE1 LYS 64 0.528 -12.716 0.033 475 HZ1 LYS 64 HZ1 LYS 64 2.240 -15.166 0.080 476 HZ2 LYS 64 HZ2 LYS 64 0.554 -15.179 0.111 477 HZ3 LYS 64 HZ3 LYS 64 1.385 -14.422 1.355 478 H ASN 65 HN ASN 65 -1.080 -9.084 -4.027 479 HA ASN 65 HA ASN 65 -0.049 -9.777 -6.672 480 HB2 ASN 65 HB2 ASN 65 -2.811 -8.774 -5.888 481 HB3 ASN 65 HB1 ASN 65 -2.342 -9.315 -7.489 482 HD21 ASN 65 HD21 ASN 65 -3.401 -10.216 -4.385 483 HD22 ASN 65 HD22 ASN 65 -3.532 -11.909 -4.647 484 H LEU 66 HN LEU 66 0.073 -7.125 -4.709 485 HA LEU 66 HA LEU 66 -0.479 -5.150 -6.763 486 HB2 LEU 66 HB2 LEU 66 0.394 -4.779 -3.905 487 HB3 LEU 66 HB1 LEU 66 -0.136 -3.509 -4.985 488 HG LEU 66 HG LEU 66 -1.811 -5.740 -3.835 489 HD11 LEU 66 HD11 LEU 66 -3.022 -3.937 -2.729 490 HD12 LEU 66 HD12 LEU 66 -1.883 -2.769 -3.398 491 HD13 LEU 66 HD13 LEU 66 -1.326 -3.989 -2.253 492 HD21 LEU 66 HD21 LEU 66 -2.638 -3.547 -5.736 493 HD22 LEU 66 HD22 LEU 66 -3.715 -4.709 -4.948 494 HD23 LEU 66 HD23 LEU 66 -2.517 -5.267 -6.115 495 H LYS 67 HN LYS 67 1.038 -4.083 -7.865 496 HA LYS 67 HA LYS 67 3.836 -4.579 -7.232 497 HB2 LYS 67 HB2 LYS 67 3.206 -5.126 -9.502 498 HB3 LYS 67 HB1 LYS 67 2.448 -3.549 -9.705 499 HG2 LYS 67 HG2 LYS 67 4.758 -2.616 -9.164 500 HG3 LYS 67 HG1 LYS 67 5.352 -4.235 -9.576 501 HD2 LYS 67 HD2 LYS 67 4.229 -4.026 -11.768 502 HD3 LYS 67 HD1 LYS 67 3.679 -2.413 -11.237 503 HE2 LYS 67 HE2 LYS 67 5.624 -2.209 -12.677 504 HE3 LYS 67 HE1 LYS 67 5.938 -1.660 -11.032 505 HZ1 LYS 67 HZ1 LYS 67 6.858 -4.223 -12.255 506 HZ2 LYS 67 HZ2 LYS 67 7.025 -3.886 -10.643 507 HZ3 LYS 67 HZ3 LYS 67 7.812 -2.914 -11.784 508 H THR 68 HN THR 68 1.797 -1.973 -8.536 509 HA THR 68 HA THR 68 3.540 -0.002 -7.226 510 HB THR 68 HB THR 68 2.519 1.640 -8.769 511 HG1 THR 68 HG1 THR 68 1.155 -0.642 -9.844 512 HG21 THR 68 HG21 THR 68 4.558 0.503 -9.519 513 HG22 THR 68 HG22 THR 68 3.493 0.847 -10.884 514 HG23 THR 68 HG23 THR 68 3.584 -0.786 -10.228 515 H VAL 69 HN VAL 69 2.175 2.073 -6.681 516 HA VAL 69 HA VAL 69 -0.074 1.161 -5.207 517 HB VAL 69 HB VAL 69 -0.478 3.365 -4.369 518 HG11 VAL 69 HG11 VAL 69 1.625 3.928 -3.320 519 HG12 VAL 69 HG12 VAL 69 2.447 2.796 -4.408 520 HG13 VAL 69 HG13 VAL 69 1.223 2.216 -3.267 521 HG21 VAL 69 HG21 VAL 69 1.572 4.350 -6.307 522 HG22 VAL 69 HG22 VAL 69 0.790 5.308 -5.045 523 HG23 VAL 69 HG23 VAL 69 -0.165 4.632 -6.364 524 H GLY 70 HN GLY 70 0.436 1.953 -8.397 525 HA2 GLY 70 HA2 GLY 70 -2.086 3.140 -8.954 526 HA3 GLY 70 HA1 GLY 70 -1.030 2.318 -10.112 527 H ASP 71 HN ASP 71 -0.701 -0.074 -8.883 528 HA ASP 71 HA ASP 71 -2.975 -1.633 -9.453 529 HB2 ASP 71 HB2 ASP 71 -0.672 -2.222 -7.573 530 HB3 ASP 71 HB1 ASP 71 -1.837 -3.414 -8.100 531 H ALA 72 HN ALA 72 -1.533 -0.570 -6.425 532 HA ALA 72 HA ALA 72 -3.331 -1.667 -4.643 533 HB1 ALA 72 HB1 ALA 72 -2.473 -0.152 -2.985 534 HB2 ALA 72 HB2 ALA 72 -1.825 0.902 -4.235 535 HB3 ALA 72 HB3 ALA 72 -1.153 -0.719 -4.011 536 H THR 73 HN THR 73 -3.410 1.638 -5.970 537 HA THR 73 HA THR 73 -5.500 2.664 -4.552 538 HB THR 73 HB THR 73 -4.817 3.213 -7.457 539 HG1 THR 73 HG1 THR 73 -3.086 3.652 -6.122 540 HG21 THR 73 HG21 THR 73 -5.907 5.407 -7.088 541 HG22 THR 73 HG22 THR 73 -6.379 4.892 -5.474 542 HG23 THR 73 HG23 THR 73 -7.050 4.080 -6.886 543 H LYS 74 HN LYS 74 -5.761 1.108 -7.755 544 HA LYS 74 HA LYS 74 -8.571 1.318 -7.974 545 HB2 LYS 74 HB2 LYS 74 -6.872 -0.808 -9.269 546 HB3 LYS 74 HB1 LYS 74 -8.392 -0.150 -9.845 547 HG2 LYS 74 HG2 LYS 74 -5.717 1.224 -9.772 548 HG3 LYS 74 HG1 LYS 74 -6.619 0.706 -11.194 549 HD2 LYS 74 HD2 LYS 74 -8.414 2.316 -10.560 550 HD3 LYS 74 HD1 LYS 74 -7.357 2.865 -9.245 551 HE2 LYS 74 HE2 LYS 74 -7.165 4.354 -11.162 552 HE3 LYS 74 HE1 LYS 74 -5.651 3.502 -10.882 553 HZ1 LYS 74 HZ1 LYS 74 -6.175 2.003 -12.708 554 HZ2 LYS 74 HZ2 LYS 74 -6.273 3.596 -13.246 555 HZ3 LYS 74 HZ3 LYS 74 -7.682 2.726 -12.912 556 H TYR 75 HN TYR 75 -6.459 -1.045 -6.649 557 HA TYR 75 HA TYR 75 -8.252 -3.234 -6.421 558 HB2 TYR 75 HB2 TYR 75 -5.721 -3.216 -6.536 559 HB3 TYR 75 HB1 TYR 75 -5.740 -2.689 -4.864 560 HD1 TYR 75 HD1 TYR 75 -6.356 -5.413 -7.171 561 HD2 TYR 75 HD2 TYR 75 -6.300 -4.245 -3.091 562 HE1 TYR 75 HE1 TYR 75 -6.362 -7.763 -6.520 563 HE2 TYR 75 HE2 TYR 75 -6.318 -6.565 -2.398 564 HH TYR 75 HH TYR 75 -6.873 -8.773 -3.299 565 H ILE 76 HN ILE 76 -6.881 -0.897 -4.131 566 HA ILE 76 HA ILE 76 -8.295 -1.723 -1.850 567 HB ILE 76 HB ILE 76 -7.017 0.936 -2.559 568 HG12 ILE 76 HG12 ILE 76 -6.091 -1.305 -0.752 569 HG13 ILE 76 HG11 ILE 76 -5.527 -1.024 -2.394 570 HG21 ILE 76 HG21 ILE 76 -7.132 1.508 -0.176 571 HG22 ILE 76 HG22 ILE 76 -8.055 0.038 0.134 572 HG23 ILE 76 HG23 ILE 76 -8.742 1.312 -0.875 573 HD11 ILE 76 HD11 ILE 76 -4.603 1.122 -1.703 574 HD12 ILE 76 HD12 ILE 76 -3.939 -0.212 -0.757 575 HD13 ILE 76 HD13 ILE 76 -5.173 0.837 -0.059 576 H LEU 77 HN LEU 77 -8.961 0.757 -4.291 577 HA LEU 77 HA LEU 77 -11.238 1.797 -3.179 578 HB2 LEU 77 HB2 LEU 77 -10.421 1.503 -6.046 579 HB3 LEU 77 HB1 LEU 77 -11.929 2.277 -5.611 580 HG LEU 77 HG LEU 77 -9.231 3.217 -4.634 581 HD11 LEU 77 HD11 LEU 77 -9.452 4.989 -6.296 582 HD12 LEU 77 HD12 LEU 77 -10.929 4.243 -6.906 583 HD13 LEU 77 HD13 LEU 77 -9.383 3.406 -7.069 584 HD21 LEU 77 HD21 LEU 77 -10.465 5.244 -4.078 585 HD22 LEU 77 HD22 LEU 77 -11.124 3.842 -3.234 586 HD23 LEU 77 HD23 LEU 77 -11.959 4.496 -4.644 587 H ASP 78 HN ASP 78 -10.881 -1.093 -5.134 588 HA ASP 78 HA ASP 78 -13.713 -1.604 -5.257 589 HB2 ASP 78 HB2 ASP 78 -12.425 -2.429 -7.089 590 HB3 ASP 78 HB1 ASP 78 -11.319 -3.278 -6.014 591 H HIS 79 HN HIS 79 -11.011 -2.826 -3.384 592 HA HIS 79 HA HIS 79 -12.619 -4.789 -2.027 593 HB2 HIS 79 HB2 HIS 79 -9.727 -4.038 -1.783 594 HB3 HIS 79 HB1 HIS 79 -10.486 -5.145 -0.640 595 HD1 HIS 79 HD1 HIS 79 -10.239 -7.575 -1.310 596 HD2 HIS 79 HD2 HIS 79 -10.247 -5.038 -4.622 597 HE1 HIS 79 HE1 HIS 79 -9.941 -9.040 -3.281 598 HE2 HIS 79 HE2 HIS 79 -9.946 -7.540 -5.278 599 H GLN 80 HN GLN 80 -12.681 -1.637 -1.657 600 HA GLN 80 HA GLN 80 -13.178 -1.826 1.233 601 HB2 GLN 80 HB2 GLN 80 -12.793 0.542 1.425 602 HB3 GLN 80 HB1 GLN 80 -11.474 -0.092 0.455 603 HG2 GLN 80 HG2 GLN 80 -12.627 0.682 -1.584 604 HG3 GLN 80 HG1 GLN 80 -13.906 1.355 -0.586 605 HE21 GLN 80 HE21 GLN 80 -10.493 1.495 0.184 606 HE22 GLN 80 HE22 GLN 80 -10.327 3.200 -0.050 607 H ALA 81 HN ALA 81 -15.228 -1.198 1.937 608 HA ALA 81 HA ALA 81 -17.131 -0.635 -0.211 609 HB1 ALA 81 HB1 ALA 81 -17.636 -1.921 2.478 610 HB2 ALA 81 HB2 ALA 81 -17.567 -2.765 0.932 611 HB3 ALA 81 HB3 ALA 81 -18.854 -1.603 1.245 612 H2 SOO 101 H2A SOO 101 4.565 -4.191 -1.293 613 H3 SOO 101 H3A SOO 101 1.643 -4.595 -0.329 614 H4 SOO 101 H4A SOO 101 3.784 -2.886 0.801 615 H4A SOO 101 H4B SOO 101 3.057 -2.050 -0.572 616 H5 SOO 101 H5A SOO 101 2.022 -1.399 1.555 617 H5A SOO 101 H5B SOO 101 1.570 -3.075 1.846 618 H6 SOO 101 H6A SOO 101 0.179 -3.061 -0.159 619 H6A SOO 101 H6B SOO 101 0.624 -1.381 -0.464 620 H7 SOO 101 H7A SOO 101 -0.400 -0.721 1.665 621 H7A SOO 101 H7B SOO 101 -0.848 -2.412 1.966 622 H8 SOO 101 H8C SOO 101 -2.194 -2.395 -0.072 623 H8A SOO 101 H8A SOO 101 -1.739 -0.715 -0.358 624 H8B SOO 101 H8B SOO 101 -2.714 -1.135 1.049 625 H28 SOO 101 H28A SOO 101 10.964 -11.490 0.382 626 H28A SOO 101 H28B SOO 101 9.675 -10.406 0.902 627 H30 SOO 101 H30A SOO 101 7.284 -11.413 -1.731 628 H30A SOO 101 H30B SOO 101 8.448 -10.097 -1.880 629 H30B SOO 101 H30C SOO 101 7.551 -10.318 -0.376 630 H31 SOO 101 H31A SOO 101 10.174 -11.712 -2.555 631 H31A SOO 101 H31B SOO 101 9.043 -13.050 -2.379 632 H31B SOO 101 H31C SOO 101 10.580 -13.076 -1.514 633 H32 SOO 101 H32A SOO 101 7.831 -13.460 -0.190 634 HO33 SOO 101 H33A SOO 101 9.738 -13.430 1.713 635 HN36 SOO 101 H36A SOO 101 6.329 -11.613 0.579 636 H37 SOO 101 H37A SOO 101 6.321 -11.442 3.494 637 H37A SOO 101 H37B SOO 101 6.340 -9.946 2.591 638 H38 SOO 101 H38A SOO 101 4.182 -12.057 2.482 639 H38A SOO 101 H38B SOO 101 4.122 -10.399 3.145 640 HN41 SOO 101 H41A SOO 101 5.550 -9.348 0.986 641 H42 SOO 101 H42A SOO 101 4.626 -9.661 -1.612 642 H42A SOO 101 H42B SOO 101 3.423 -8.659 -0.805 643 H43 SOO 101 H43A SOO 101 6.358 -8.002 -1.091 644 H43A SOO 101 H43B SOO 101 5.160 -7.114 -0.136 Start of MODEL 6 1 H1 ALA 1 HT1 ALA 1 -12.508 5.440 4.470 2 H2 ALA 1 HT2 ALA 1 -14.189 5.218 4.315 3 H3 ALA 1 HT3 ALA 1 -13.445 6.709 3.908 4 HA ALA 1 HA ALA 1 -12.966 4.177 2.500 5 HB1 ALA 1 HB1 ALA 1 -14.091 5.325 0.623 6 HB2 ALA 1 HB2 ALA 1 -14.454 6.688 1.682 7 HB3 ALA 1 HB3 ALA 1 -15.182 5.111 1.991 8 H ALA 2 HN ALA 2 -12.124 5.370 0.152 9 HA ALA 2 HA ALA 2 -10.227 7.422 0.862 10 HB1 ALA 2 HB1 ALA 2 -9.337 4.731 -0.165 11 HB2 ALA 2 HB2 ALA 2 -9.043 5.369 1.454 12 HB3 ALA 2 HB3 ALA 2 -8.308 6.146 0.051 13 H THR 3 HN THR 3 -9.132 8.209 -1.074 14 HA THR 3 HA THR 3 -10.435 7.486 -3.577 15 HB THR 3 HB THR 3 -9.975 9.841 -4.294 16 HG1 THR 3 HG1 THR 3 -9.043 11.222 -3.042 17 HG21 THR 3 HG21 THR 3 -11.720 10.958 -2.963 18 HG22 THR 3 HG22 THR 3 -11.626 9.668 -1.762 19 HG23 THR 3 HG23 THR 3 -12.203 9.315 -3.390 20 H GLN 4 HN GLN 4 -8.564 8.729 -5.303 21 HA GLN 4 HA GLN 4 -6.381 6.985 -5.055 22 HB2 GLN 4 HB2 GLN 4 -7.177 7.668 -7.235 23 HB3 GLN 4 HB1 GLN 4 -6.920 9.354 -6.857 24 HG2 GLN 4 HG2 GLN 4 -4.569 7.567 -6.807 25 HG3 GLN 4 HG1 GLN 4 -5.258 7.942 -8.397 26 HE21 GLN 4 HE21 GLN 4 -3.462 9.069 -5.692 27 HE22 GLN 4 HE22 GLN 4 -3.031 10.612 -6.305 28 H GLU 5 HN GLU 5 -6.795 10.415 -4.533 29 HA GLU 5 HA GLU 5 -4.166 11.099 -3.830 30 HB2 GLU 5 HB2 GLU 5 -6.502 12.389 -2.440 31 HB3 GLU 5 HB1 GLU 5 -5.003 13.119 -2.969 32 HG2 GLU 5 HG2 GLU 5 -6.649 14.016 -4.358 33 HG3 GLU 5 HG1 GLU 5 -5.879 12.774 -5.346 34 H GLU 6 HN GLU 6 -6.914 10.088 -1.899 35 HA GLU 6 HA GLU 6 -5.819 10.375 0.660 36 HB2 GLU 6 HB2 GLU 6 -8.225 10.082 -0.063 37 HB3 GLU 6 HB1 GLU 6 -7.850 8.376 -0.197 38 HG2 GLU 6 HG2 GLU 6 -8.961 8.860 1.915 39 HG3 GLU 6 HG1 GLU 6 -7.333 8.225 2.145 40 H ILE 7 HN ILE 7 -5.913 7.617 -1.584 41 HA ILE 7 HA ILE 7 -4.666 5.871 0.249 42 HB ILE 7 HB ILE 7 -4.915 5.684 -2.773 43 HG12 ILE 7 HG12 ILE 7 -6.320 4.274 -0.491 44 HG13 ILE 7 HG11 ILE 7 -6.994 5.560 -1.474 45 HG21 ILE 7 HG21 ILE 7 -3.902 3.579 -0.826 46 HG22 ILE 7 HG22 ILE 7 -2.899 4.444 -1.971 47 HG23 ILE 7 HG23 ILE 7 -4.149 3.344 -2.557 48 HD11 ILE 7 HD11 ILE 7 -6.224 2.821 -2.431 49 HD12 ILE 7 HD12 ILE 7 -6.901 4.111 -3.427 50 HD13 ILE 7 HD13 ILE 7 -7.859 3.407 -2.123 51 H VAL 8 HN VAL 8 -3.391 7.491 -2.638 52 HA VAL 8 HA VAL 8 -0.747 6.720 -2.382 53 HB VAL 8 HB VAL 8 -1.948 9.263 -3.526 54 HG11 VAL 8 HG11 VAL 8 0.402 9.716 -2.986 55 HG12 VAL 8 HG12 VAL 8 0.143 9.625 -4.730 56 HG13 VAL 8 HG13 VAL 8 0.885 8.269 -3.874 57 HG21 VAL 8 HG21 VAL 8 -1.518 8.133 -5.663 58 HG22 VAL 8 HG22 VAL 8 -2.601 7.213 -4.614 59 HG23 VAL 8 HG23 VAL 8 -0.913 6.739 -4.772 60 H ALA 9 HN ALA 9 -2.128 9.752 -1.155 61 HA ALA 9 HA ALA 9 0.284 10.542 0.152 62 HB1 ALA 9 HB1 ALA 9 -1.041 12.399 0.998 63 HB2 ALA 9 HB2 ALA 9 -2.513 11.589 0.453 64 HB3 ALA 9 HB3 ALA 9 -1.329 12.141 -0.726 65 H GLY 10 HN GLY 10 -2.329 8.499 1.087 66 HA2 GLY 10 HA2 GLY 10 -2.013 9.017 3.936 67 HA3 GLY 10 HA1 GLY 10 -3.175 7.920 3.188 68 H LEU 11 HN LEU 11 -1.686 6.476 1.607 69 HA LEU 11 HA LEU 11 -0.751 4.362 3.038 70 HB2 LEU 11 HB2 LEU 11 -1.451 4.414 0.625 71 HB3 LEU 11 HB1 LEU 11 -0.003 5.313 0.300 72 HG LEU 11 HG LEU 11 1.365 3.598 0.763 73 HD11 LEU 11 HD11 LEU 11 -1.094 1.965 1.536 74 HD12 LEU 11 HD12 LEU 11 0.186 2.496 2.630 75 HD13 LEU 11 HD13 LEU 11 0.530 1.287 1.396 76 HD21 LEU 11 HD21 LEU 11 -0.917 2.655 -0.952 77 HD22 LEU 11 HD22 LEU 11 0.699 1.944 -0.971 78 HD23 LEU 11 HD23 LEU 11 0.470 3.625 -1.451 79 H ALA 12 HN ALA 12 0.985 7.043 1.581 80 HA ALA 12 HA ALA 12 3.578 6.137 2.010 81 HB1 ALA 12 HB1 ALA 12 4.269 8.379 1.568 82 HB2 ALA 12 HB2 ALA 12 2.620 8.965 1.811 83 HB3 ALA 12 HB3 ALA 12 2.991 7.889 0.456 84 H GLU 13 HN GLU 13 1.376 7.748 4.212 85 HA GLU 13 HA GLU 13 3.405 8.513 6.056 86 HB2 GLU 13 HB2 GLU 13 0.465 8.021 6.594 87 HB3 GLU 13 HB1 GLU 13 1.583 8.867 7.658 88 HG2 GLU 13 HG2 GLU 13 1.903 10.565 5.876 89 HG3 GLU 13 HG1 GLU 13 0.660 9.744 4.935 90 H ILE 14 HN ILE 14 1.218 5.775 5.784 91 HA ILE 14 HA ILE 14 2.225 4.445 8.068 92 HB ILE 14 HB ILE 14 0.706 3.240 5.703 93 HG12 ILE 14 HG12 ILE 14 -1.163 3.022 7.418 94 HG13 ILE 14 HG11 ILE 14 -0.213 4.037 8.483 95 HG21 ILE 14 HG21 ILE 14 0.341 1.281 7.127 96 HG22 ILE 14 HG22 ILE 14 1.390 1.996 8.351 97 HG23 ILE 14 HG23 ILE 14 2.051 1.546 6.778 98 HD11 ILE 14 HD11 ILE 14 -1.972 5.287 7.390 99 HD12 ILE 14 HD12 ILE 14 -1.341 4.825 5.810 100 HD13 ILE 14 HD13 ILE 14 -0.388 5.863 6.873 101 H VAL 15 HN VAL 15 3.000 4.297 4.647 102 HA VAL 15 HA VAL 15 4.935 2.277 4.742 103 HB VAL 15 HB VAL 15 4.670 4.643 2.851 104 HG11 VAL 15 HG11 VAL 15 6.509 2.261 2.587 105 HG12 VAL 15 HG12 VAL 15 6.991 3.937 2.863 106 HG13 VAL 15 HG13 VAL 15 6.214 3.485 1.347 107 HG21 VAL 15 HG21 VAL 15 3.850 2.962 1.278 108 HG22 VAL 15 HG22 VAL 15 2.867 3.014 2.743 109 HG23 VAL 15 HG23 VAL 15 4.037 1.717 2.513 110 H ASN 16 HN ASN 16 5.068 5.571 5.723 111 HA ASN 16 HA ASN 16 7.927 5.768 5.753 112 HB2 ASN 16 HB2 ASN 16 6.300 7.678 5.470 113 HB3 ASN 16 HB1 ASN 16 5.970 7.528 7.193 114 HD21 ASN 16 HD21 ASN 16 8.209 8.406 4.805 115 HD22 ASN 16 HD22 ASN 16 9.319 9.261 5.813 116 H GLU 17 HN GLU 17 5.361 5.304 8.139 117 HA GLU 17 HA GLU 17 7.174 5.268 10.316 118 HB2 GLU 17 HB2 GLU 17 5.236 4.380 11.628 119 HB3 GLU 17 HB1 GLU 17 4.920 5.909 10.807 120 HG2 GLU 17 HG2 GLU 17 3.797 4.646 9.044 121 HG3 GLU 17 HG1 GLU 17 4.046 3.164 9.957 122 H ILE 18 HN ILE 18 5.702 2.699 8.386 123 HA ILE 18 HA ILE 18 6.765 0.590 10.039 124 HB ILE 18 HB ILE 18 5.799 0.423 7.187 125 HG12 ILE 18 HG12 ILE 18 4.069 1.405 8.618 126 HG13 ILE 18 HG11 ILE 18 3.621 -0.202 8.070 127 HG21 ILE 18 HG21 ILE 18 7.069 -1.522 7.875 128 HG22 ILE 18 HG22 ILE 18 5.363 -1.939 7.719 129 HG23 ILE 18 HG23 ILE 18 6.069 -1.699 9.316 130 HD11 ILE 18 HD11 ILE 18 4.602 0.552 10.814 131 HD12 ILE 18 HD12 ILE 18 4.247 -1.090 10.257 132 HD13 ILE 18 HD13 ILE 18 2.955 0.110 10.324 133 H ALA 19 HN ALA 19 7.560 1.823 6.765 134 HA ALA 19 HA ALA 19 10.019 0.237 6.874 135 HB1 ALA 19 HB1 ALA 19 8.712 1.550 4.496 136 HB2 ALA 19 HB2 ALA 19 8.560 -0.148 4.947 137 HB3 ALA 19 HB3 ALA 19 10.127 0.498 4.462 138 H GLY 20 HN GLY 20 8.966 3.414 5.754 139 HA2 GLY 20 HA2 GLY 20 10.206 5.341 6.725 140 HA3 GLY 20 HA1 GLY 20 11.669 4.394 6.487 141 H ILE 21 HN ILE 21 8.974 4.748 4.258 142 HA ILE 21 HA ILE 21 10.811 5.993 2.354 143 HB ILE 21 HB ILE 21 8.159 4.558 1.912 144 HG12 ILE 21 HG12 ILE 21 9.908 2.981 2.450 145 HG13 ILE 21 HG11 ILE 21 9.514 2.845 0.741 146 HG21 ILE 21 HG21 ILE 21 10.003 5.723 -0.169 147 HG22 ILE 21 HG22 ILE 21 8.398 6.310 0.256 148 HG23 ILE 21 HG23 ILE 21 8.586 4.724 -0.494 149 HD11 ILE 21 HD11 ILE 21 11.905 4.270 1.898 150 HD12 ILE 21 HD12 ILE 21 11.509 4.147 0.184 151 HD13 ILE 21 HD13 ILE 21 11.911 2.696 1.098 152 HA PRO 22 HA PRO 22 9.146 9.980 3.189 153 HB2 PRO 22 HB2 PRO 22 8.988 10.134 0.213 154 HB3 PRO 22 HB1 PRO 22 9.605 11.320 1.373 155 HG2 PRO 22 HG2 PRO 22 11.265 9.760 0.005 156 HG3 PRO 22 HG1 PRO 22 11.580 10.183 1.695 157 HD2 PRO 22 HD2 PRO 22 10.713 7.608 0.522 158 HD3 PRO 22 HD1 PRO 22 11.610 7.925 2.020 159 H VAL 23 HN VAL 23 7.320 10.939 3.470 160 HA VAL 23 HA VAL 23 4.883 9.496 3.114 161 HB VAL 23 HB VAL 23 3.831 11.355 4.355 162 HG11 VAL 23 HG11 VAL 23 4.888 9.545 5.568 163 HG12 VAL 23 HG12 VAL 23 5.083 11.075 6.423 164 HG13 VAL 23 HG13 VAL 23 6.430 10.394 5.512 165 HG21 VAL 23 HG21 VAL 23 5.255 13.195 5.176 166 HG22 VAL 23 HG22 VAL 23 5.108 13.177 3.410 167 HG23 VAL 23 HG23 VAL 23 6.573 12.568 4.168 168 H GLU 24 HN GLU 24 6.184 10.796 0.732 169 HA GLU 24 HA GLU 24 3.711 11.573 -0.567 170 HB2 GLU 24 HB2 GLU 24 4.657 13.677 -1.449 171 HB3 GLU 24 HB1 GLU 24 4.494 13.717 0.302 172 HG2 GLU 24 HG2 GLU 24 6.872 13.296 0.556 173 HG3 GLU 24 HG1 GLU 24 7.051 13.167 -1.194 174 H ASP 25 HN ASP 25 6.095 9.584 -0.557 175 HA ASP 25 HA ASP 25 7.147 10.131 -3.230 176 HB2 ASP 25 HB2 ASP 25 8.774 10.026 -1.458 177 HB3 ASP 25 HB1 ASP 25 8.256 8.417 -1.006 178 H VAL 26 HN VAL 26 4.978 8.186 -1.608 179 HA VAL 26 HA VAL 26 5.440 5.769 -3.140 180 HB VAL 26 HB VAL 26 3.372 6.431 -0.992 181 HG11 VAL 26 HG11 VAL 26 3.116 4.023 -0.733 182 HG12 VAL 26 HG12 VAL 26 4.250 3.760 -2.061 183 HG13 VAL 26 HG13 VAL 26 2.700 4.544 -2.366 184 HG21 VAL 26 HG21 VAL 26 4.801 5.191 0.559 185 HG22 VAL 26 HG22 VAL 26 5.606 6.620 -0.087 186 HG23 VAL 26 HG23 VAL 26 6.016 5.019 -0.707 187 H LYS 27 HN LYS 27 5.016 6.876 -5.060 188 HA LYS 27 HA LYS 27 2.380 8.043 -5.461 189 HB2 LYS 27 HB2 LYS 27 4.916 8.292 -7.099 190 HB3 LYS 27 HB1 LYS 27 3.381 9.103 -7.410 191 HG2 LYS 27 HG2 LYS 27 3.525 10.328 -5.348 192 HG3 LYS 27 HG1 LYS 27 4.993 9.470 -4.896 193 HD2 LYS 27 HD2 LYS 27 4.731 11.234 -7.336 194 HD3 LYS 27 HD1 LYS 27 5.365 11.784 -5.789 195 HE2 LYS 27 HE2 LYS 27 6.525 9.546 -7.456 196 HE3 LYS 27 HE1 LYS 27 7.142 11.193 -7.409 197 HZ1 LYS 27 HZ1 LYS 27 8.406 9.691 -5.977 198 HZ2 LYS 27 HZ2 LYS 27 7.067 9.307 -5.088 199 HZ3 LYS 27 HZ3 LYS 27 7.682 10.893 -5.047 200 H LEU 28 HN LEU 28 1.430 7.797 -7.664 201 HA LEU 28 HA LEU 28 0.376 5.334 -7.959 202 HB2 LEU 28 HB2 LEU 28 0.587 7.473 -10.053 203 HB3 LEU 28 HB1 LEU 28 -0.358 6.015 -10.271 204 HG LEU 28 HG LEU 28 -0.813 8.070 -8.097 205 HD11 LEU 28 HD11 LEU 28 -2.862 8.585 -9.313 206 HD12 LEU 28 HD12 LEU 28 -2.369 7.493 -10.607 207 HD13 LEU 28 HD13 LEU 28 -1.424 8.951 -10.272 208 HD21 LEU 28 HD21 LEU 28 -1.461 5.857 -7.387 209 HD22 LEU 28 HD22 LEU 28 -2.394 5.621 -8.867 210 HD23 LEU 28 HD23 LEU 28 -2.886 6.844 -7.691 211 H ASP 29 HN ASP 29 2.895 6.411 -10.244 212 HA ASP 29 HA ASP 29 2.930 3.650 -11.223 213 HB2 ASP 29 HB2 ASP 29 4.268 4.460 -13.124 214 HB3 ASP 29 HB1 ASP 29 2.773 5.364 -12.961 215 H LYS 30 HN LYS 30 4.094 4.427 -8.657 216 HA LYS 30 HA LYS 30 6.890 3.771 -9.170 217 HB2 LYS 30 HB2 LYS 30 5.546 4.937 -6.717 218 HB3 LYS 30 HB1 LYS 30 7.252 4.528 -6.851 219 HG2 LYS 30 HG2 LYS 30 5.995 6.517 -8.720 220 HG3 LYS 30 HG1 LYS 30 6.567 6.988 -7.120 221 HD2 LYS 30 HD2 LYS 30 8.347 7.449 -8.605 222 HD3 LYS 30 HD1 LYS 30 8.794 5.989 -7.745 223 HE2 LYS 30 HE2 LYS 30 9.396 5.452 -9.883 224 HE3 LYS 30 HE1 LYS 30 7.766 4.798 -9.825 225 HZ1 LYS 30 HZ1 LYS 30 8.397 6.084 -11.827 226 HZ2 LYS 30 HZ2 LYS 30 8.399 7.485 -10.910 227 HZ3 LYS 30 HZ3 LYS 30 6.949 6.624 -11.161 228 H SER 31 HN SER 31 7.486 1.751 -8.754 229 HA SER 31 HA SER 31 5.505 -0.091 -7.785 230 HB2 SER 31 HB2 SER 31 8.353 -0.591 -8.623 231 HB3 SER 31 HB1 SER 31 7.074 -1.794 -8.455 232 HG SER 31 HG SER 31 7.713 -0.365 -10.562 233 H PHE 32 HN PHE 32 5.456 -1.057 -5.896 234 HA PHE 32 HA PHE 32 6.871 -0.152 -3.638 235 HB2 PHE 32 HB2 PHE 32 5.475 -2.810 -4.019 236 HB3 PHE 32 HB1 PHE 32 6.002 -2.157 -2.483 237 HD1 PHE 32 HD1 PHE 32 5.016 0.233 -1.948 238 HD2 PHE 32 HD2 PHE 32 3.315 -2.594 -4.607 239 HE1 PHE 32 HE1 PHE 32 2.812 1.286 -1.643 240 HE2 PHE 32 HE2 PHE 32 1.111 -1.543 -4.333 241 HZ PHE 32 HZ PHE 32 0.857 0.396 -2.843 242 H THR 33 HN THR 33 7.192 -3.107 -5.587 243 HA THR 33 HA THR 33 9.562 -3.804 -4.161 244 HB THR 33 HB THR 33 9.332 -5.702 -6.011 245 HG1 THR 33 HG1 THR 33 6.700 -5.661 -5.786 246 HG21 THR 33 HG21 THR 33 7.970 -6.923 -4.377 247 HG22 THR 33 HG22 THR 33 7.588 -5.402 -3.566 248 HG23 THR 33 HG23 THR 33 9.247 -6.001 -3.586 249 H ASP 34 HN ASP 34 10.012 -1.450 -5.596 250 HA ASP 34 HA ASP 34 12.249 -2.233 -7.170 251 HB2 ASP 34 HB2 ASP 34 10.340 -2.585 -8.804 252 HB3 ASP 34 HB1 ASP 34 10.101 -0.841 -8.749 253 H ASP 35 HN ASP 35 9.995 0.534 -7.282 254 HA ASP 35 HA ASP 35 12.198 2.395 -7.324 255 HB2 ASP 35 HB2 ASP 35 9.225 2.905 -7.083 256 HB3 ASP 35 HB1 ASP 35 10.458 4.112 -7.396 257 H LEU 36 HN LEU 36 9.547 1.573 -5.241 258 HA LEU 36 HA LEU 36 10.251 3.501 -3.243 259 HB2 LEU 36 HB2 LEU 36 8.241 1.268 -3.135 260 HB3 LEU 36 HB1 LEU 36 8.316 2.650 -2.058 261 HG LEU 36 HG LEU 36 7.657 2.704 -4.997 262 HD11 LEU 36 HD11 LEU 36 5.955 3.196 -2.579 263 HD12 LEU 36 HD12 LEU 36 5.871 1.804 -3.663 264 HD13 LEU 36 HD13 LEU 36 5.451 3.412 -4.255 265 HD21 LEU 36 HD21 LEU 36 7.177 5.084 -4.646 266 HD22 LEU 36 HD22 LEU 36 8.875 4.683 -4.396 267 HD23 LEU 36 HD23 LEU 36 7.825 4.961 -3.003 268 H ASP 37 HN ASP 37 9.891 -0.030 -3.206 269 HA ASP 37 HA ASP 37 10.652 -1.646 -1.968 270 HB2 ASP 37 HB2 ASP 37 12.865 -1.079 -2.875 271 HB3 ASP 37 HB1 ASP 37 13.099 0.100 -1.589 272 H VAL 38 HN VAL 38 9.342 -1.921 -0.393 273 HA VAL 38 HA VAL 38 9.224 0.109 1.741 274 HB VAL 38 HB VAL 38 7.080 -1.816 0.744 275 HG11 VAL 38 HG11 VAL 38 6.791 0.535 2.642 276 HG12 VAL 38 HG12 VAL 38 6.652 -1.175 3.065 277 HG13 VAL 38 HG13 VAL 38 5.460 -0.435 2.002 278 HG21 VAL 38 HG21 VAL 38 6.003 0.151 -0.264 279 HG22 VAL 38 HG22 VAL 38 7.583 -0.208 -0.964 280 HG23 VAL 38 HG23 VAL 38 7.405 1.121 0.183 281 H ASP 39 HN ASP 39 11.083 -1.982 1.661 282 HA ASP 39 HA ASP 39 11.845 -3.906 2.519 283 HB2 ASP 39 HB2 ASP 39 11.836 -2.328 4.573 284 HB3 ASP 39 HB1 ASP 39 10.307 -3.235 4.831 285 H SER 40 HN SER 40 10.887 -5.138 1.519 286 HA SER 40 HA SER 40 8.343 -5.936 1.034 287 HB2 SER 40 HB2 SER 40 9.300 -7.980 0.099 288 HB3 SER 40 HB1 SER 40 10.155 -6.503 -0.330 289 H LEU 41 HN LEU 41 10.256 -7.229 3.721 290 HA LEU 41 HA LEU 41 8.218 -9.194 4.206 291 HB2 LEU 41 HB2 LEU 41 9.571 -9.951 6.141 292 HB3 LEU 41 HB1 LEU 41 10.441 -9.978 4.631 293 HG LEU 41 HG LEU 41 11.520 -7.792 5.389 294 HD11 LEU 41 HD11 LEU 41 9.968 -7.219 7.172 295 HD12 LEU 41 HD12 LEU 41 11.605 -7.384 7.808 296 HD13 LEU 41 HD13 LEU 41 10.418 -8.670 8.067 297 HD21 LEU 41 HD21 LEU 41 13.169 -8.966 6.765 298 HD22 LEU 41 HD22 LEU 41 12.694 -9.907 5.352 299 HD23 LEU 41 HD23 LEU 41 12.049 -10.316 6.944 300 H SER 42 HN SER 42 9.145 -6.102 5.551 301 HA SER 42 HA SER 42 7.218 -6.388 7.659 302 HB2 SER 42 HB2 SER 42 7.926 -4.066 8.302 303 HB3 SER 42 HB1 SER 42 9.231 -5.250 8.300 304 HG SER 42 HG SER 42 9.968 -4.432 6.390 305 H MET 43 HN MET 43 7.218 -5.470 4.521 306 HA MET 43 HA MET 43 5.513 -3.465 4.164 307 HB2 MET 43 HB2 MET 43 6.378 -4.575 2.245 308 HB3 MET 43 HB1 MET 43 5.582 -6.081 2.676 309 HG2 MET 43 HG2 MET 43 4.015 -3.645 2.114 310 HG3 MET 43 HG1 MET 43 4.650 -4.613 0.768 311 HE1 MET 43 HE1 MET 43 3.721 -7.007 0.204 312 HE2 MET 43 HE2 MET 43 2.678 -7.962 1.258 313 HE3 MET 43 HE3 MET 43 4.327 -7.556 1.758 314 H VAL 44 HN VAL 44 4.561 -6.699 4.953 315 HA VAL 44 HA VAL 44 1.811 -6.560 4.837 316 HB VAL 44 HB VAL 44 3.409 -8.140 6.880 317 HG11 VAL 44 HG11 VAL 44 1.488 -9.655 6.992 318 HG12 VAL 44 HG12 VAL 44 0.581 -8.591 5.919 319 HG13 VAL 44 HG13 VAL 44 1.053 -8.029 7.521 320 HG21 VAL 44 HG21 VAL 44 2.403 -8.917 4.143 321 HG22 VAL 44 HG22 VAL 44 3.224 -9.990 5.274 322 HG23 VAL 44 HG23 VAL 44 4.079 -8.604 4.583 323 H GLU 45 HN GLU 45 3.906 -5.284 7.287 324 HA GLU 45 HA GLU 45 1.912 -4.843 9.264 325 HB2 GLU 45 HB2 GLU 45 4.696 -3.716 8.971 326 HB3 GLU 45 HB1 GLU 45 3.719 -3.681 10.439 327 HG2 GLU 45 HG2 GLU 45 3.743 -6.100 10.558 328 HG3 GLU 45 HG1 GLU 45 4.553 -6.179 9.016 329 H VAL 46 HN VAL 46 3.192 -3.120 6.557 330 HA VAL 46 HA VAL 46 2.055 -0.555 7.070 331 HB VAL 46 HB VAL 46 2.551 -1.909 4.378 332 HG11 VAL 46 HG11 VAL 46 1.035 -0.028 4.133 333 HG12 VAL 46 HG12 VAL 46 2.596 0.363 3.423 334 HG13 VAL 46 HG13 VAL 46 2.156 1.021 4.993 335 HG21 VAL 46 HG21 VAL 46 4.625 -1.755 5.636 336 HG22 VAL 46 HG22 VAL 46 4.347 -0.036 5.917 337 HG23 VAL 46 HG23 VAL 46 4.645 -0.625 4.283 338 H VAL 47 HN VAL 47 1.062 -3.352 5.167 339 HA VAL 47 HA VAL 47 -1.379 -2.565 4.180 340 HB VAL 47 HB VAL 47 -0.710 -5.350 5.160 341 HG11 VAL 47 HG11 VAL 47 -3.080 -5.061 4.642 342 HG12 VAL 47 HG12 VAL 47 -2.295 -6.091 3.447 343 HG13 VAL 47 HG13 VAL 47 -2.661 -4.409 3.058 344 HG21 VAL 47 HG21 VAL 47 0.999 -4.493 3.679 345 HG22 VAL 47 HG22 VAL 47 -0.230 -4.053 2.494 346 HG23 VAL 47 HG23 VAL 47 0.053 -5.748 2.883 347 H VAL 48 HN VAL 48 -0.904 -4.349 7.227 348 HA VAL 48 HA VAL 48 -3.575 -4.463 8.029 349 HB VAL 48 HB VAL 48 -1.595 -5.621 8.965 350 HG11 VAL 48 HG11 VAL 48 -0.502 -4.748 10.964 351 HG12 VAL 48 HG12 VAL 48 -1.261 -3.187 10.589 352 HG13 VAL 48 HG13 VAL 48 -0.134 -3.917 9.443 353 HG21 VAL 48 HG21 VAL 48 -3.601 -4.537 10.929 354 HG22 VAL 48 HG22 VAL 48 -2.569 -5.935 11.229 355 HG23 VAL 48 HG23 VAL 48 -3.770 -5.989 9.941 356 H ALA 49 HN ALA 49 -1.342 -2.038 8.437 357 HA ALA 49 HA ALA 49 -3.024 -0.311 10.086 358 HB1 ALA 49 HB1 ALA 49 -0.593 -0.227 10.368 359 HB2 ALA 49 HB2 ALA 49 -1.258 1.353 9.948 360 HB3 ALA 49 HB3 ALA 49 -0.433 0.387 8.721 361 H ALA 50 HN ALA 50 -2.167 -0.581 6.730 362 HA ALA 50 HA ALA 50 -3.392 1.801 5.841 363 HB1 ALA 50 HB1 ALA 50 -3.326 0.760 3.609 364 HB2 ALA 50 HB2 ALA 50 -2.915 -0.788 4.345 365 HB3 ALA 50 HB3 ALA 50 -1.787 0.563 4.450 366 H GLU 51 HN GLU 51 -4.498 -1.493 6.347 367 HA GLU 51 HA GLU 51 -7.092 -1.299 5.409 368 HB2 GLU 51 HB2 GLU 51 -6.139 -2.767 7.865 369 HB3 GLU 51 HB1 GLU 51 -7.658 -3.050 7.039 370 HG2 GLU 51 HG2 GLU 51 -6.453 -3.810 5.070 371 HG3 GLU 51 HG1 GLU 51 -4.918 -3.513 5.885 372 H GLU 52 HN GLU 52 -5.753 -0.578 8.571 373 HA GLU 52 HA GLU 52 -7.980 0.321 9.952 374 HB2 GLU 52 HB2 GLU 52 -5.800 -0.122 10.967 375 HB3 GLU 52 HB1 GLU 52 -5.110 1.250 10.117 376 HG2 GLU 52 HG2 GLU 52 -6.714 2.703 11.369 377 HG3 GLU 52 HG1 GLU 52 -7.130 1.281 12.331 378 H ARG 53 HN ARG 53 -5.750 2.006 7.857 379 HA ARG 53 HA ARG 53 -6.661 4.656 8.232 380 HB2 ARG 53 HB2 ARG 53 -4.436 4.218 7.438 381 HB3 ARG 53 HB1 ARG 53 -5.059 3.369 6.032 382 HG2 ARG 53 HG2 ARG 53 -4.265 5.540 5.387 383 HG3 ARG 53 HG1 ARG 53 -6.016 5.472 5.210 384 HD2 ARG 53 HD2 ARG 53 -6.220 6.600 7.411 385 HD3 ARG 53 HD1 ARG 53 -4.461 6.763 7.439 386 HE ARG 53 HE ARG 53 -6.262 7.984 5.481 387 HH11 ARG 53 HH11 ARG 53 -3.228 8.043 7.360 388 HH12 ARG 53 HH12 ARG 53 -2.662 9.483 6.677 389 HH21 ARG 53 HH21 ARG 53 -5.495 10.009 4.577 390 HH22 ARG 53 HH22 ARG 53 -3.987 10.647 5.090 391 H PHE 54 HN PHE 54 -7.233 2.381 5.547 392 HA PHE 54 HA PHE 54 -8.946 4.350 4.234 393 HB2 PHE 54 HB2 PHE 54 -8.261 1.561 3.306 394 HB3 PHE 54 HB1 PHE 54 -8.967 2.854 2.345 395 HD1 PHE 54 HD1 PHE 54 -7.460 5.129 2.732 396 HD2 PHE 54 HD2 PHE 54 -6.110 1.110 2.705 397 HE1 PHE 54 HE1 PHE 54 -5.203 5.889 2.015 398 HE2 PHE 54 HE2 PHE 54 -3.868 1.843 2.005 399 HZ PHE 54 HZ PHE 54 -3.365 4.221 1.805 400 H ASP 55 HN ASP 55 -9.424 2.111 6.556 401 HA ASP 55 HA ASP 55 -11.132 0.927 7.404 402 HB2 ASP 55 HB2 ASP 55 -12.799 2.621 5.518 403 HB3 ASP 55 HB1 ASP 55 -13.514 1.414 6.573 404 H VAL 56 HN VAL 56 -9.602 0.149 5.161 405 HA VAL 56 HA VAL 56 -11.400 -1.602 3.664 406 HB VAL 56 HB VAL 56 -9.675 -0.135 2.450 407 HG11 VAL 56 HG11 VAL 56 -7.771 -0.336 3.868 408 HG12 VAL 56 HG12 VAL 56 -7.375 -0.945 2.251 409 HG13 VAL 56 HG13 VAL 56 -7.686 -2.075 3.556 410 HG21 VAL 56 HG21 VAL 56 -8.994 -1.835 0.793 411 HG22 VAL 56 HG22 VAL 56 -10.693 -1.965 1.242 412 HG23 VAL 56 HG23 VAL 56 -9.518 -3.101 1.903 413 H LYS 57 HN LYS 57 -10.026 -3.715 3.155 414 HA LYS 57 HA LYS 57 -8.498 -4.779 5.311 415 HB2 LYS 57 HB2 LYS 57 -11.209 -5.919 4.599 416 HB3 LYS 57 HB1 LYS 57 -9.955 -6.891 5.365 417 HG2 LYS 57 HG2 LYS 57 -11.222 -4.404 6.531 418 HG3 LYS 57 HG1 LYS 57 -11.614 -6.065 6.986 419 HD2 LYS 57 HD2 LYS 57 -9.333 -6.405 7.793 420 HD3 LYS 57 HD1 LYS 57 -8.893 -4.784 7.242 421 HE2 LYS 57 HE2 LYS 57 -10.377 -3.775 8.839 422 HE3 LYS 57 HE1 LYS 57 -10.997 -5.353 9.323 423 HZ1 LYS 57 HZ1 LYS 57 -8.864 -5.908 10.224 424 HZ2 LYS 57 HZ2 LYS 57 -9.363 -4.441 10.900 425 HZ3 LYS 57 HZ3 LYS 57 -8.166 -4.463 9.720 426 H ILE 58 HN ILE 58 -6.990 -5.885 4.447 427 HA ILE 58 HA ILE 58 -7.321 -7.275 1.933 428 HB ILE 58 HB ILE 58 -5.084 -5.216 2.254 429 HG12 ILE 58 HG12 ILE 58 -7.488 -5.062 0.408 430 HG13 ILE 58 HG11 ILE 58 -7.271 -4.091 1.857 431 HG21 ILE 58 HG21 ILE 58 -4.589 -5.758 -0.084 432 HG22 ILE 58 HG22 ILE 58 -5.947 -6.874 -0.113 433 HG23 ILE 58 HG23 ILE 58 -4.542 -7.226 0.910 434 HD11 ILE 58 HD11 ILE 58 -5.517 -4.043 -0.586 435 HD12 ILE 58 HD12 ILE 58 -5.297 -3.059 0.862 436 HD13 ILE 58 HD13 ILE 58 -6.726 -2.834 -0.149 437 HA PRO 59 HA PRO 59 -4.823 -9.658 4.820 438 HB2 PRO 59 HB2 PRO 59 -5.288 -11.861 2.934 439 HB3 PRO 59 HB1 PRO 59 -5.783 -11.692 4.626 440 HG2 PRO 59 HG2 PRO 59 -7.546 -11.601 2.568 441 HG3 PRO 59 HG1 PRO 59 -7.780 -10.740 4.102 442 HD2 PRO 59 HD2 PRO 59 -6.845 -9.694 1.461 443 HD3 PRO 59 HD1 PRO 59 -7.929 -8.954 2.657 444 H ASP 60 HN ASP 60 -2.811 -10.845 4.620 445 HA ASP 60 HA ASP 60 -1.058 -9.614 2.763 446 HB2 ASP 60 HB2 ASP 60 0.761 -10.892 3.703 447 HB3 ASP 60 HB1 ASP 60 -0.223 -10.211 4.990 448 H ASP 61 HN ASP 61 -2.883 -12.420 2.535 449 HA ASP 61 HA ASP 61 -1.410 -13.682 0.457 450 HB2 ASP 61 HB2 ASP 61 -3.134 -14.927 1.574 451 HB3 ASP 61 HB1 ASP 61 -4.348 -13.726 1.157 452 H ASP 62 HN ASP 62 -4.165 -11.484 0.455 453 HA ASP 62 HA ASP 62 -4.478 -11.200 -2.315 454 HB2 ASP 62 HB2 ASP 62 -5.363 -9.579 0.045 455 HB3 ASP 62 HB1 ASP 62 -5.552 -8.915 -1.565 456 H VAL 63 HN VAL 63 -2.570 -9.348 -0.013 457 HA VAL 63 HA VAL 63 -1.988 -7.212 -1.746 458 HB VAL 63 HB VAL 63 -1.805 -7.081 0.737 459 HG11 VAL 63 HG11 VAL 63 0.811 -8.505 0.357 460 HG12 VAL 63 HG12 VAL 63 -0.621 -9.159 1.150 461 HG13 VAL 63 HG13 VAL 63 0.233 -7.782 1.855 462 HG21 VAL 63 HG21 VAL 63 -0.859 -5.325 -0.651 463 HG22 VAL 63 HG22 VAL 63 0.657 -6.225 -0.764 464 HG23 VAL 63 HG23 VAL 63 0.129 -5.585 0.788 465 H LYS 64 HN LYS 64 -0.571 -10.346 -1.619 466 HA LYS 64 HA LYS 64 2.043 -9.801 -2.405 467 HB2 LYS 64 HB2 LYS 64 0.367 -12.230 -2.990 468 HB3 LYS 64 HB1 LYS 64 2.082 -12.121 -3.341 469 HG2 LYS 64 HG2 LYS 64 2.474 -11.715 -0.928 470 HG3 LYS 64 HG1 LYS 64 0.755 -12.030 -0.656 471 HD2 LYS 64 HD2 LYS 64 0.977 -14.247 -1.575 472 HD3 LYS 64 HD1 LYS 64 2.671 -13.944 -1.976 473 HE2 LYS 64 HE2 LYS 64 2.565 -15.239 0.035 474 HE3 LYS 64 HE1 LYS 64 3.123 -13.616 0.426 475 HZ1 LYS 64 HZ1 LYS 64 1.555 -14.298 2.020 476 HZ2 LYS 64 HZ2 LYS 64 0.439 -14.758 0.850 477 HZ3 LYS 64 HZ3 LYS 64 0.789 -13.103 1.089 478 H ASN 65 HN ASN 65 -0.808 -9.492 -4.187 479 HA ASN 65 HA ASN 65 0.372 -10.074 -6.772 480 HB2 ASN 65 HB2 ASN 65 -2.448 -9.223 -6.093 481 HB3 ASN 65 HB1 ASN 65 -1.875 -9.795 -7.653 482 HD21 ASN 65 HD21 ASN 65 -2.903 -10.677 -4.483 483 HD22 ASN 65 HD22 ASN 65 -2.925 -12.377 -4.701 484 H LEU 66 HN LEU 66 0.648 -7.477 -4.876 485 HA LEU 66 HA LEU 66 -0.142 -5.503 -6.849 486 HB2 LEU 66 HB2 LEU 66 0.888 -5.192 -4.041 487 HB3 LEU 66 HB1 LEU 66 0.505 -3.845 -5.101 488 HG LEU 66 HG LEU 66 -1.460 -5.926 -4.139 489 HD11 LEU 66 HD11 LEU 66 -1.133 -3.028 -3.402 490 HD12 LEU 66 HD12 LEU 66 -0.765 -4.411 -2.370 491 HD13 LEU 66 HD13 LEU 66 -2.430 -4.095 -2.861 492 HD21 LEU 66 HD21 LEU 66 -1.979 -5.101 -6.367 493 HD22 LEU 66 HD22 LEU 66 -1.858 -3.439 -5.787 494 HD23 LEU 66 HD23 LEU 66 -3.133 -4.497 -5.180 495 H LYS 67 HN LYS 67 1.234 -3.818 -7.553 496 HA LYS 67 HA LYS 67 4.087 -4.512 -7.627 497 HB2 LYS 67 HB2 LYS 67 3.128 -5.008 -9.784 498 HB3 LYS 67 HB1 LYS 67 2.315 -3.448 -9.825 499 HG2 LYS 67 HG2 LYS 67 4.653 -2.437 -9.672 500 HG3 LYS 67 HG1 LYS 67 5.226 -4.048 -10.116 501 HD2 LYS 67 HD2 LYS 67 3.923 -3.966 -12.164 502 HD3 LYS 67 HD1 LYS 67 3.239 -2.410 -11.625 503 HE2 LYS 67 HE2 LYS 67 5.361 -1.354 -11.709 504 HE3 LYS 67 HE1 LYS 67 6.168 -2.878 -12.069 505 HZ1 LYS 67 HZ1 LYS 67 5.264 -2.938 -14.176 506 HZ2 LYS 67 HZ2 LYS 67 5.721 -1.317 -14.010 507 HZ3 LYS 67 HZ3 LYS 67 4.101 -1.768 -13.876 508 H THR 68 HN THR 68 1.907 -1.911 -8.600 509 HA THR 68 HA THR 68 3.697 0.065 -7.356 510 HB THR 68 HB THR 68 2.689 1.693 -8.923 511 HG1 THR 68 HG1 THR 68 1.244 -0.596 -9.883 512 HG21 THR 68 HG21 THR 68 3.794 -0.727 -10.350 513 HG22 THR 68 HG22 THR 68 4.744 0.577 -9.636 514 HG23 THR 68 HG23 THR 68 3.693 0.902 -11.018 515 H VAL 69 HN VAL 69 2.206 2.167 -6.953 516 HA VAL 69 HA VAL 69 0.036 1.120 -5.441 517 HB VAL 69 HB VAL 69 -0.249 3.087 -4.310 518 HG11 VAL 69 HG11 VAL 69 1.809 2.191 -3.702 519 HG12 VAL 69 HG12 VAL 69 1.892 3.952 -3.632 520 HG13 VAL 69 HG13 VAL 69 2.645 3.084 -4.978 521 HG21 VAL 69 HG21 VAL 69 -0.642 4.590 -6.046 522 HG22 VAL 69 HG22 VAL 69 1.054 4.567 -6.545 523 HG23 VAL 69 HG23 VAL 69 0.594 5.295 -5.001 524 H GLY 70 HN GLY 70 0.521 2.085 -8.539 525 HA2 GLY 70 HA2 GLY 70 -2.014 3.188 -9.140 526 HA3 GLY 70 HA1 GLY 70 -0.918 2.411 -10.284 527 H ASP 71 HN ASP 71 -0.727 0.002 -8.707 528 HA ASP 71 HA ASP 71 -3.170 -1.307 -9.495 529 HB2 ASP 71 HB2 ASP 71 -1.106 -2.582 -7.653 530 HB3 ASP 71 HB1 ASP 71 -2.247 -3.323 -8.722 531 H ALA 72 HN ALA 72 -1.416 -0.713 -6.490 532 HA ALA 72 HA ALA 72 -3.213 -1.689 -4.673 533 HB1 ALA 72 HB1 ALA 72 -2.088 -0.472 -2.977 534 HB2 ALA 72 HB2 ALA 72 -1.491 0.705 -4.130 535 HB3 ALA 72 HB3 ALA 72 -0.888 -0.958 -4.177 536 H THR 73 HN THR 73 -3.206 1.652 -5.911 537 HA THR 73 HA THR 73 -5.134 2.681 -4.216 538 HB THR 73 HB THR 73 -4.641 3.388 -7.129 539 HG1 THR 73 HG1 THR 73 -2.802 3.715 -5.928 540 HG21 THR 73 HG21 THR 73 -6.017 4.973 -4.947 541 HG22 THR 73 HG22 THR 73 -6.797 4.267 -6.357 542 HG23 THR 73 HG23 THR 73 -5.638 5.580 -6.559 543 H LYS 74 HN LYS 74 -5.634 1.435 -7.528 544 HA LYS 74 HA LYS 74 -8.448 1.510 -7.506 545 HB2 LYS 74 HB2 LYS 74 -6.510 -0.121 -9.158 546 HB3 LYS 74 HB1 LYS 74 -8.240 -0.174 -9.394 547 HG2 LYS 74 HG2 LYS 74 -7.181 1.200 -11.041 548 HG3 LYS 74 HG1 LYS 74 -8.240 2.170 -10.008 549 HD2 LYS 74 HD2 LYS 74 -6.347 3.090 -8.848 550 HD3 LYS 74 HD1 LYS 74 -5.251 1.962 -9.636 551 HE2 LYS 74 HE2 LYS 74 -5.075 4.207 -10.590 552 HE3 LYS 74 HE1 LYS 74 -5.641 3.036 -11.773 553 HZ1 LYS 74 HZ1 LYS 74 -7.778 3.930 -11.740 554 HZ2 LYS 74 HZ2 LYS 74 -6.755 5.304 -11.634 555 HZ3 LYS 74 HZ3 LYS 74 -7.541 4.729 -10.265 556 H TYR 75 HN TYR 75 -6.106 -0.812 -6.553 557 HA TYR 75 HA TYR 75 -7.692 -3.062 -6.351 558 HB2 TYR 75 HB2 TYR 75 -5.187 -2.943 -6.346 559 HB3 TYR 75 HB1 TYR 75 -5.270 -2.346 -4.699 560 HD1 TYR 75 HD2 TYR 75 -6.171 -3.904 -2.910 561 HD2 TYR 75 HD1 TYR 75 -5.250 -5.161 -6.852 562 HE1 TYR 75 HE2 TYR 75 -6.066 -6.194 -2.125 563 HE2 TYR 75 HE1 TYR 75 -5.116 -7.454 -6.128 564 HH TYR 75 HH TYR 75 -4.718 -8.686 -4.011 565 H ILE 76 HN ILE 76 -6.550 -0.743 -3.902 566 HA ILE 76 HA ILE 76 -8.018 -1.730 -1.726 567 HB ILE 76 HB ILE 76 -6.917 1.056 -2.235 568 HG12 ILE 76 HG12 ILE 76 -5.852 -1.208 -0.531 569 HG13 ILE 76 HG11 ILE 76 -5.265 -0.798 -2.135 570 HG21 ILE 76 HG21 ILE 76 -8.712 1.163 -0.583 571 HG22 ILE 76 HG22 ILE 76 -7.145 1.432 0.185 572 HG23 ILE 76 HG23 ILE 76 -7.954 -0.129 0.346 573 HD11 ILE 76 HD11 ILE 76 -4.541 1.382 -1.303 574 HD12 ILE 76 HD12 ILE 76 -3.796 0.056 -0.408 575 HD13 ILE 76 HD13 ILE 76 -5.134 0.956 0.303 576 H LEU 77 HN LEU 77 -8.749 0.759 -4.130 577 HA LEU 77 HA LEU 77 -11.136 1.549 -2.962 578 HB2 LEU 77 HB2 LEU 77 -10.335 1.686 -5.863 579 HB3 LEU 77 HB1 LEU 77 -11.759 2.470 -5.205 580 HG LEU 77 HG LEU 77 -8.887 3.080 -4.520 581 HD11 LEU 77 HD11 LEU 77 -9.579 3.961 -6.668 582 HD12 LEU 77 HD12 LEU 77 -9.362 5.258 -5.493 583 HD13 LEU 77 HD13 LEU 77 -10.985 4.716 -5.920 584 HD21 LEU 77 HD21 LEU 77 -10.287 3.275 -2.549 585 HD22 LEU 77 HD22 LEU 77 -11.415 4.300 -3.439 586 HD23 LEU 77 HD23 LEU 77 -9.776 4.864 -3.116 587 H ASP 78 HN ASP 78 -10.405 -1.111 -5.023 588 HA ASP 78 HA ASP 78 -13.172 -1.829 -5.525 589 HB2 ASP 78 HB2 ASP 78 -11.526 -2.239 -7.268 590 HB3 ASP 78 HB1 ASP 78 -10.544 -3.185 -6.162 591 H HIS 79 HN HIS 79 -10.684 -2.539 -3.283 592 HA HIS 79 HA HIS 79 -11.890 -5.025 -2.317 593 HB2 HIS 79 HB2 HIS 79 -9.296 -4.162 -2.560 594 HB3 HIS 79 HB1 HIS 79 -9.608 -3.930 -0.851 595 HD1 HIS 79 HD1 HIS 79 -10.025 -6.152 0.601 596 HD2 HIS 79 HD2 HIS 79 -9.058 -6.795 -3.403 597 HE1 HIS 79 HE1 HIS 79 -9.357 -8.525 0.444 598 HE2 HIS 79 HE2 HIS 79 -8.582 -8.862 -1.909 599 H GLN 80 HN GLN 80 -12.286 -1.718 -1.668 600 HA GLN 80 HA GLN 80 -12.628 -2.156 1.186 601 HB2 GLN 80 HB2 GLN 80 -12.685 0.254 1.502 602 HB3 GLN 80 HB1 GLN 80 -11.271 -0.224 0.587 603 HG2 GLN 80 HG2 GLN 80 -12.384 0.557 -1.484 604 HG3 GLN 80 HG1 GLN 80 -13.765 1.085 -0.530 605 HE21 GLN 80 HE21 GLN 80 -10.385 1.412 0.412 606 HE22 GLN 80 HE22 GLN 80 -10.361 3.136 0.343 607 H ALA 81 HN ALA 81 -14.401 -2.406 2.122 608 HA ALA 81 HA ALA 81 -16.797 -1.051 1.531 609 HB1 ALA 81 HB1 ALA 81 -16.985 -2.747 -0.256 610 HB2 ALA 81 HB2 ALA 81 -18.182 -3.034 1.008 611 HB3 ALA 81 HB3 ALA 81 -16.730 -4.029 0.932 612 H2 SOO 101 H2A SOO 101 4.630 -3.593 -1.028 613 H3 SOO 101 H3A SOO 101 1.844 -4.749 -1.721 614 H4 SOO 101 H4A SOO 101 2.465 -2.931 0.459 615 H4A SOO 101 H4B SOO 101 2.648 -1.962 -1.004 616 H5 SOO 101 H5A SOO 101 0.178 -3.494 -0.206 617 H5A SOO 101 H5B SOO 101 0.363 -2.508 -1.658 618 H6 SOO 101 H6A SOO 101 0.776 -0.535 -0.224 619 H6A SOO 101 H6B SOO 101 0.473 -1.534 1.197 620 H7 SOO 101 H7A SOO 101 -1.526 -1.017 -1.017 621 H7A SOO 101 H7B SOO 101 -1.515 -0.218 0.561 622 H8 SOO 101 H8C SOO 101 -1.833 -3.178 0.066 623 H8A SOO 101 H8A SOO 101 -3.123 -2.055 0.493 624 H8B SOO 101 H8B SOO 101 -1.833 -2.388 1.649 625 H28 SOO 101 H28A SOO 101 12.019 -10.870 0.256 626 H28A SOO 101 H28B SOO 101 10.494 -10.059 0.589 627 H30 SOO 101 H30A SOO 101 8.661 -10.134 -1.100 628 H30A SOO 101 H30B SOO 101 8.832 -11.139 -2.538 629 H30B SOO 101 H30C SOO 101 9.776 -9.656 -2.379 630 H31 SOO 101 H31A SOO 101 12.260 -12.310 -1.739 631 H31A SOO 101 H31B SOO 101 11.864 -10.927 -2.758 632 H31B SOO 101 H31C SOO 101 10.950 -12.428 -2.914 633 H32 SOO 101 H32A SOO 101 9.318 -13.164 -1.040 634 HO33 SOO 101 H33A SOO 101 10.847 -13.241 1.089 635 HN36 SOO 101 H36A SOO 101 7.600 -11.379 -0.247 636 H37 SOO 101 H37A SOO 101 7.181 -11.769 2.629 637 H37A SOO 101 H37B SOO 101 7.278 -10.123 2.058 638 H38 SOO 101 H38A SOO 101 5.215 -12.194 1.226 639 H38A SOO 101 H38B SOO 101 5.003 -10.754 2.254 640 HN41 SOO 101 H41A SOO 101 6.522 -9.081 0.702 641 H42 SOO 101 H42A SOO 101 6.215 -8.683 -1.930 642 H42A SOO 101 H42B SOO 101 4.620 -8.226 -1.317 643 H43 SOO 101 H43A SOO 101 7.255 -7.058 -0.412 644 H43A SOO 101 H43B SOO 101 5.645 -6.577 0.144 Start of MODEL 7 1 H1 ALA 1 HT1 ALA 1 -16.221 5.051 1.465 2 H2 ALA 1 HT2 ALA 1 -15.121 3.937 2.087 3 H3 ALA 1 HT3 ALA 1 -16.386 3.407 1.106 4 HA ALA 1 HA ALA 1 -14.254 3.438 -0.036 5 HB1 ALA 1 HB1 ALA 1 -15.011 4.616 -2.027 6 HB2 ALA 1 HB2 ALA 1 -16.255 5.445 -1.083 7 HB3 ALA 1 HB3 ALA 1 -16.328 3.693 -1.304 8 H ALA 2 HN ALA 2 -12.934 5.113 -1.422 9 HA ALA 2 HA ALA 2 -12.404 7.609 -0.078 10 HB1 ALA 2 HB1 ALA 2 -10.331 5.402 -0.250 11 HB2 ALA 2 HB2 ALA 2 -11.064 6.016 1.233 12 HB3 ALA 2 HB3 ALA 2 -10.020 7.060 0.268 13 H THR 3 HN THR 3 -10.041 8.257 -1.354 14 HA THR 3 HA THR 3 -10.703 7.943 -4.196 15 HB THR 3 HB THR 3 -9.580 10.186 -4.407 16 HG1 THR 3 HG1 THR 3 -9.785 11.214 -2.054 17 HG21 THR 3 HG21 THR 3 -12.046 10.001 -4.346 18 HG22 THR 3 HG22 THR 3 -11.502 11.475 -3.544 19 HG23 THR 3 HG23 THR 3 -11.999 10.078 -2.585 20 H GLN 4 HN GLN 4 -8.483 8.803 -5.454 21 HA GLN 4 HA GLN 4 -6.415 6.976 -4.958 22 HB2 GLN 4 HB2 GLN 4 -6.727 7.798 -7.199 23 HB3 GLN 4 HB1 GLN 4 -6.692 9.466 -6.670 24 HG2 GLN 4 HG2 GLN 4 -4.261 7.737 -6.424 25 HG3 GLN 4 HG1 GLN 4 -4.668 8.489 -7.970 26 HE21 GLN 4 HE21 GLN 4 -2.367 8.908 -6.284 27 HE22 GLN 4 HE22 GLN 4 -2.351 10.555 -5.773 28 H GLU 5 HN GLU 5 -6.927 10.351 -4.290 29 HA GLU 5 HA GLU 5 -4.589 11.182 -3.149 30 HB2 GLU 5 HB2 GLU 5 -6.467 12.622 -3.642 31 HB3 GLU 5 HB1 GLU 5 -7.435 11.829 -2.417 32 HG2 GLU 5 HG2 GLU 5 -5.947 12.693 -0.686 33 HG3 GLU 5 HG1 GLU 5 -4.981 13.493 -1.931 34 H GLU 6 HN GLU 6 -7.397 9.833 -1.450 35 HA GLU 6 HA GLU 6 -6.270 9.795 1.090 36 HB2 GLU 6 HB2 GLU 6 -8.489 8.174 -0.109 37 HB3 GLU 6 HB1 GLU 6 -8.048 8.104 1.593 38 HG2 GLU 6 HG2 GLU 6 -8.857 10.610 0.142 39 HG3 GLU 6 HG1 GLU 6 -9.947 9.611 1.106 40 H ILE 7 HN ILE 7 -6.234 7.368 -1.435 41 HA ILE 7 HA ILE 7 -5.088 5.364 0.200 42 HB ILE 7 HB ILE 7 -5.261 5.597 -2.815 43 HG12 ILE 7 HG12 ILE 7 -6.761 3.936 -0.777 44 HG13 ILE 7 HG11 ILE 7 -7.378 5.348 -1.624 45 HG21 ILE 7 HG21 ILE 7 -3.313 4.212 -2.224 46 HG22 ILE 7 HG22 ILE 7 -4.605 3.219 -2.904 47 HG23 ILE 7 HG23 ILE 7 -4.326 3.231 -1.162 48 HD11 ILE 7 HD11 ILE 7 -8.240 3.302 -2.571 49 HD12 ILE 7 HD12 ILE 7 -6.599 2.731 -2.866 50 HD13 ILE 7 HD13 ILE 7 -7.210 4.142 -3.731 51 H VAL 8 HN VAL 8 -3.645 7.261 -2.421 52 HA VAL 8 HA VAL 8 -1.030 6.393 -1.925 53 HB VAL 8 HB VAL 8 -2.076 8.846 -3.359 54 HG11 VAL 8 HG11 VAL 8 0.744 7.750 -3.347 55 HG12 VAL 8 HG12 VAL 8 0.234 9.282 -2.633 56 HG13 VAL 8 HG13 VAL 8 0.139 9.046 -4.380 57 HG21 VAL 8 HG21 VAL 8 -2.722 6.788 -4.382 58 HG22 VAL 8 HG22 VAL 8 -1.096 6.148 -4.208 59 HG23 VAL 8 HG23 VAL 8 -1.388 7.454 -5.343 60 H ALA 9 HN ALA 9 -2.549 9.506 -0.926 61 HA ALA 9 HA ALA 9 -0.249 10.384 0.451 62 HB1 ALA 9 HB1 ALA 9 -3.117 11.225 0.889 63 HB2 ALA 9 HB2 ALA 9 -2.011 11.926 -0.294 64 HB3 ALA 9 HB3 ALA 9 -1.682 12.098 1.432 65 H GLY 10 HN GLY 10 -2.969 8.407 1.407 66 HA2 GLY 10 HA2 GLY 10 -2.440 8.427 4.194 67 HA3 GLY 10 HA1 GLY 10 -3.393 7.227 3.322 68 H LEU 11 HN LEU 11 -1.672 6.119 1.599 69 HA LEU 11 HA LEU 11 -0.311 4.208 2.955 70 HB2 LEU 11 HB2 LEU 11 -0.436 5.158 0.229 71 HB3 LEU 11 HB1 LEU 11 1.090 4.387 0.586 72 HG LEU 11 HG LEU 11 -1.658 3.162 0.979 73 HD11 LEU 11 HD11 LEU 11 -1.082 3.425 -1.378 74 HD12 LEU 11 HD12 LEU 11 -1.046 1.728 -0.898 75 HD13 LEU 11 HD13 LEU 11 0.461 2.621 -1.094 76 HD21 LEU 11 HD21 LEU 11 -0.027 2.349 2.595 77 HD22 LEU 11 HD22 LEU 11 1.110 2.008 1.306 78 HD23 LEU 11 HD23 LEU 11 -0.399 1.088 1.413 79 H ALA 12 HN ALA 12 1.026 7.177 1.632 80 HA ALA 12 HA ALA 12 3.705 6.602 2.144 81 HB1 ALA 12 HB1 ALA 12 2.999 8.405 0.750 82 HB2 ALA 12 HB2 ALA 12 4.134 8.913 1.998 83 HB3 ALA 12 HB3 ALA 12 2.406 9.295 2.164 84 H GLU 13 HN GLU 13 1.259 7.950 4.235 85 HA GLU 13 HA GLU 13 3.032 8.701 6.291 86 HB2 GLU 13 HB2 GLU 13 0.094 8.052 6.349 87 HB3 GLU 13 HB1 GLU 13 0.987 8.598 7.760 88 HG2 GLU 13 HG2 GLU 13 1.571 10.664 6.563 89 HG3 GLU 13 HG1 GLU 13 0.614 10.112 5.188 90 H ILE 14 HN ILE 14 1.244 5.756 5.659 91 HA ILE 14 HA ILE 14 2.181 4.421 8.008 92 HB ILE 14 HB ILE 14 0.876 3.376 5.472 93 HG12 ILE 14 HG12 ILE 14 -0.962 2.693 7.066 94 HG13 ILE 14 HG11 ILE 14 -0.097 3.529 8.337 95 HG21 ILE 14 HG21 ILE 14 1.735 1.720 7.834 96 HG22 ILE 14 HG22 ILE 14 2.394 1.645 6.199 97 HG23 ILE 14 HG23 ILE 14 0.728 1.153 6.500 98 HD11 ILE 14 HD11 ILE 14 -1.280 4.779 5.871 99 HD12 ILE 14 HD12 ILE 14 -0.415 5.638 7.145 100 HD13 ILE 14 HD13 ILE 14 -1.948 4.837 7.501 101 H VAL 15 HN VAL 15 3.133 4.377 4.613 102 HA VAL 15 HA VAL 15 5.215 2.555 4.704 103 HB VAL 15 HB VAL 15 4.789 4.964 2.905 104 HG11 VAL 15 HG11 VAL 15 7.172 4.462 2.945 105 HG12 VAL 15 HG12 VAL 15 6.453 4.020 1.395 106 HG13 VAL 15 HG13 VAL 15 6.835 2.766 2.584 107 HG21 VAL 15 HG21 VAL 15 3.149 3.181 2.708 108 HG22 VAL 15 HG22 VAL 15 4.440 2.004 2.457 109 HG23 VAL 15 HG23 VAL 15 4.154 3.270 1.261 110 H ASN 16 HN ASN 16 5.165 5.926 5.502 111 HA ASN 16 HA ASN 16 7.967 6.272 5.833 112 HB2 ASN 16 HB2 ASN 16 6.249 8.084 5.466 113 HB3 ASN 16 HB1 ASN 16 5.800 7.894 7.155 114 HD21 ASN 16 HD21 ASN 16 8.250 8.838 4.959 115 HD22 ASN 16 HD22 ASN 16 9.196 9.794 6.028 116 H GLU 17 HN GLU 17 5.496 5.012 7.885 117 HA GLU 17 HA GLU 17 7.033 5.225 10.333 118 HB2 GLU 17 HB2 GLU 17 4.594 3.542 9.729 119 HB3 GLU 17 HB1 GLU 17 5.228 3.933 11.319 120 HG2 GLU 17 HG2 GLU 17 4.168 5.896 9.347 121 HG3 GLU 17 HG1 GLU 17 3.227 5.233 10.685 122 H ILE 18 HN ILE 18 5.965 2.721 8.135 123 HA ILE 18 HA ILE 18 7.169 0.505 9.407 124 HB ILE 18 HB ILE 18 6.366 0.844 6.514 125 HG12 ILE 18 HG12 ILE 18 4.488 1.255 8.028 126 HG13 ILE 18 HG11 ILE 18 4.266 -0.258 7.165 127 HG21 ILE 18 HG21 ILE 18 7.853 -1.050 6.775 128 HG22 ILE 18 HG22 ILE 18 6.211 -1.608 6.460 129 HG23 ILE 18 HG23 ILE 18 6.869 -1.675 8.099 130 HD11 ILE 18 HD11 ILE 18 3.580 -0.458 9.468 131 HD12 ILE 18 HD12 ILE 18 5.181 0.048 10.017 132 HD13 ILE 18 HD13 ILE 18 4.981 -1.483 9.157 133 H ALA 19 HN ALA 19 8.161 2.344 6.531 134 HA ALA 19 HA ALA 19 10.800 1.030 6.748 135 HB1 ALA 19 HB1 ALA 19 11.079 1.299 4.364 136 HB2 ALA 19 HB2 ALA 19 9.525 2.119 4.254 137 HB3 ALA 19 HB3 ALA 19 9.595 0.416 4.714 138 H GLY 20 HN GLY 20 9.154 4.067 6.339 139 HA2 GLY 20 HA2 GLY 20 10.095 6.113 7.084 140 HA3 GLY 20 HA1 GLY 20 11.692 5.392 6.950 141 H ILE 21 HN ILE 21 9.428 5.024 4.399 142 HA ILE 21 HA ILE 21 11.165 6.447 2.580 143 HB ILE 21 HB ILE 21 8.504 5.038 2.144 144 HG12 ILE 21 HG12 ILE 21 10.267 3.478 2.781 145 HG13 ILE 21 HG11 ILE 21 9.818 3.239 1.097 146 HG21 ILE 21 HG21 ILE 21 8.792 6.716 0.425 147 HG22 ILE 21 HG22 ILE 21 8.971 5.103 -0.260 148 HG23 ILE 21 HG23 ILE 21 10.399 6.095 0.052 149 HD11 ILE 21 HD11 ILE 21 12.259 4.696 2.101 150 HD12 ILE 21 HD12 ILE 21 11.822 4.471 0.406 151 HD13 ILE 21 HD13 ILE 21 12.222 3.073 1.407 152 HA PRO 22 HA PRO 22 9.482 10.535 3.053 153 HB2 PRO 22 HB2 PRO 22 9.526 10.395 0.064 154 HB3 PRO 22 HB1 PRO 22 10.059 11.699 1.133 155 HG2 PRO 22 HG2 PRO 22 11.817 10.022 0.042 156 HG3 PRO 22 HG1 PRO 22 12.022 10.619 1.698 157 HD2 PRO 22 HD2 PRO 22 11.254 7.923 0.750 158 HD3 PRO 22 HD1 PRO 22 12.025 8.412 2.270 159 H VAL 23 HN VAL 23 7.574 11.391 3.187 160 HA VAL 23 HA VAL 23 5.258 9.830 2.663 161 HB VAL 23 HB VAL 23 4.004 11.764 3.656 162 HG11 VAL 23 HG11 VAL 23 4.953 11.487 5.889 163 HG12 VAL 23 HG12 VAL 23 6.409 10.782 5.185 164 HG13 VAL 23 HG13 VAL 23 4.866 9.941 5.046 165 HG21 VAL 23 HG21 VAL 23 6.778 12.854 3.830 166 HG22 VAL 23 HG22 VAL 23 5.360 13.586 4.613 167 HG23 VAL 23 HG23 VAL 23 5.480 13.495 2.839 168 H GLU 24 HN GLU 24 6.742 11.227 0.311 169 HA GLU 24 HA GLU 24 4.309 11.955 -1.106 170 HB2 GLU 24 HB2 GLU 24 5.580 13.984 -0.418 171 HB3 GLU 24 HB1 GLU 24 7.009 13.330 -1.206 172 HG2 GLU 24 HG2 GLU 24 5.693 13.259 -3.270 173 HG3 GLU 24 HG1 GLU 24 4.457 14.226 -2.451 174 H ASP 25 HN ASP 25 6.596 9.725 -0.668 175 HA ASP 25 HA ASP 25 7.461 9.663 -3.443 176 HB2 ASP 25 HB2 ASP 25 9.184 9.880 -1.744 177 HB3 ASP 25 HB1 ASP 25 8.747 8.333 -1.052 178 H VAL 26 HN VAL 26 5.030 8.351 -1.804 179 HA VAL 26 HA VAL 26 5.368 5.713 -2.954 180 HB VAL 26 HB VAL 26 4.507 6.178 -0.544 181 HG11 VAL 26 HG11 VAL 26 3.076 7.945 -1.054 182 HG12 VAL 26 HG12 VAL 26 2.203 6.624 -0.234 183 HG13 VAL 26 HG13 VAL 26 2.037 6.869 -1.982 184 HG21 VAL 26 HG21 VAL 26 2.849 4.409 -2.326 185 HG22 VAL 26 HG22 VAL 26 2.908 4.329 -0.564 186 HG23 VAL 26 HG23 VAL 26 4.350 3.967 -1.512 187 H LYS 27 HN LYS 27 5.432 7.349 -4.767 188 HA LYS 27 HA LYS 27 3.134 8.608 -5.859 189 HB2 LYS 27 HB2 LYS 27 5.648 7.727 -7.299 190 HB3 LYS 27 HB1 LYS 27 4.490 8.945 -7.811 191 HG2 LYS 27 HG2 LYS 27 5.171 10.462 -6.131 192 HG3 LYS 27 HG1 LYS 27 6.093 9.217 -5.280 193 HD2 LYS 27 HD2 LYS 27 7.666 9.075 -7.116 194 HD3 LYS 27 HD1 LYS 27 6.709 10.201 -8.067 195 HE2 LYS 27 HE2 LYS 27 8.679 11.290 -7.115 196 HE3 LYS 27 HE1 LYS 27 7.197 11.983 -6.478 197 HZ1 LYS 27 HZ1 LYS 27 8.939 11.663 -4.818 198 HZ2 LYS 27 HZ2 LYS 27 8.889 10.000 -4.980 199 HZ3 LYS 27 HZ3 LYS 27 7.533 10.878 -4.425 200 H LEU 28 HN LEU 28 1.913 8.000 -7.770 201 HA LEU 28 HA LEU 28 0.789 5.490 -7.747 202 HB2 LEU 28 HB2 LEU 28 0.854 7.523 -9.957 203 HB3 LEU 28 HB1 LEU 28 -0.071 6.042 -10.065 204 HG LEU 28 HG LEU 28 -0.490 8.185 -7.959 205 HD11 LEU 28 HD11 LEU 28 -2.556 8.665 -9.161 206 HD12 LEU 28 HD12 LEU 28 -2.097 7.508 -10.407 207 HD13 LEU 28 HD13 LEU 28 -1.138 8.976 -10.168 208 HD21 LEU 28 HD21 LEU 28 -2.591 6.958 -7.547 209 HD22 LEU 28 HD22 LEU 28 -1.159 6.048 -7.124 210 HD23 LEU 28 HD23 LEU 28 -2.026 5.675 -8.620 211 H ASP 29 HN ASP 29 3.563 6.489 -9.569 212 HA ASP 29 HA ASP 29 3.570 4.054 -11.172 213 HB2 ASP 29 HB2 ASP 29 5.347 6.489 -11.197 214 HB3 ASP 29 HB1 ASP 29 5.562 5.104 -12.256 215 H LYS 30 HN LYS 30 4.456 4.446 -8.092 216 HA LYS 30 HA LYS 30 7.188 3.417 -8.360 217 HB2 LYS 30 HB2 LYS 30 5.719 4.590 -5.997 218 HB3 LYS 30 HB1 LYS 30 7.392 4.049 -5.989 219 HG2 LYS 30 HG2 LYS 30 6.662 6.012 -8.062 220 HG3 LYS 30 HG1 LYS 30 6.655 6.587 -6.400 221 HD2 LYS 30 HD2 LYS 30 8.990 5.126 -7.611 222 HD3 LYS 30 HD1 LYS 30 8.813 6.884 -7.689 223 HE2 LYS 30 HE2 LYS 30 8.582 6.891 -5.209 224 HE3 LYS 30 HE1 LYS 30 8.965 5.177 -5.219 225 HZ1 LYS 30 HZ1 LYS 30 11.097 5.624 -6.046 226 HZ2 LYS 30 HZ2 LYS 30 10.812 6.706 -4.734 227 HZ3 LYS 30 HZ3 LYS 30 10.721 7.263 -6.328 228 H SER 31 HN SER 31 7.481 1.332 -8.099 229 HA SER 31 HA SER 31 5.395 -0.335 -7.075 230 HB2 SER 31 HB2 SER 31 6.761 -1.069 -8.989 231 HB3 SER 31 HB1 SER 31 8.207 -1.022 -7.980 232 HG SER 31 HG SER 31 7.066 -3.154 -8.258 233 H PHE 32 HN PHE 32 5.206 -1.126 -5.152 234 HA PHE 32 HA PHE 32 6.523 -0.188 -2.864 235 HB2 PHE 32 HB2 PHE 32 5.048 -2.802 -3.199 236 HB3 PHE 32 HB1 PHE 32 5.532 -2.112 -1.665 237 HD1 PHE 32 HD1 PHE 32 4.523 0.180 -1.075 238 HD2 PHE 32 HD2 PHE 32 2.995 -2.393 -4.091 239 HE1 PHE 32 HE1 PHE 32 2.326 1.258 -0.876 240 HE2 PHE 32 HE2 PHE 32 0.800 -1.311 -3.911 241 HZ PHE 32 HZ PHE 32 0.462 0.511 -2.300 242 H THR 33 HN THR 33 6.631 -3.556 -3.985 243 HA THR 33 HA THR 33 9.045 -3.952 -2.526 244 HB THR 33 HB THR 33 8.575 -6.363 -3.425 245 HG1 THR 33 HG1 THR 33 6.024 -6.225 -3.520 246 HG21 THR 33 HG21 THR 33 8.307 -5.651 -1.082 247 HG22 THR 33 HG22 THR 33 6.987 -6.719 -1.570 248 HG23 THR 33 HG23 THR 33 6.720 -4.981 -1.469 249 H ASP 34 HN ASP 34 9.621 -2.278 -4.511 250 HA ASP 34 HA ASP 34 11.623 -3.744 -5.958 251 HB2 ASP 34 HB2 ASP 34 9.783 -3.981 -7.566 252 HB3 ASP 34 HB1 ASP 34 9.547 -2.234 -7.566 253 H ASP 35 HN ASP 35 9.963 -0.554 -6.002 254 HA ASP 35 HA ASP 35 12.612 0.642 -6.286 255 HB2 ASP 35 HB2 ASP 35 10.721 1.359 -7.799 256 HB3 ASP 35 HB1 ASP 35 9.948 2.038 -6.380 257 H LEU 36 HN LEU 36 9.725 0.823 -4.297 258 HA LEU 36 HA LEU 36 10.721 2.777 -2.504 259 HB2 LEU 36 HB2 LEU 36 8.594 0.703 -2.007 260 HB3 LEU 36 HB1 LEU 36 8.850 2.162 -1.084 261 HG LEU 36 HG LEU 36 7.886 1.993 -3.928 262 HD11 LEU 36 HD11 LEU 36 5.760 2.779 -2.984 263 HD12 LEU 36 HD12 LEU 36 6.487 2.830 -1.383 264 HD13 LEU 36 HD13 LEU 36 6.264 1.282 -2.180 265 HD21 LEU 36 HD21 LEU 36 7.530 4.421 -3.721 266 HD22 LEU 36 HD22 LEU 36 9.225 3.969 -3.601 267 HD23 LEU 36 HD23 LEU 36 8.326 4.396 -2.143 268 H ASP 37 HN ASP 37 10.147 -0.672 -2.147 269 HA ASP 37 HA ASP 37 10.779 -2.242 -0.751 270 HB2 ASP 37 HB2 ASP 37 13.123 -1.794 -1.535 271 HB3 ASP 37 HB1 ASP 37 13.310 -0.659 -0.194 272 H VAL 38 HN VAL 38 9.493 -2.339 0.803 273 HA VAL 38 HA VAL 38 9.705 -0.225 2.769 274 HB VAL 38 HB VAL 38 7.730 0.109 1.433 275 HG11 VAL 38 HG11 VAL 38 6.731 -2.598 2.238 276 HG12 VAL 38 HG12 VAL 38 7.230 -2.032 0.632 277 HG13 VAL 38 HG13 VAL 38 5.810 -1.342 1.390 278 HG21 VAL 38 HG21 VAL 38 7.009 -0.733 4.231 279 HG22 VAL 38 HG22 VAL 38 6.005 0.272 3.185 280 HG23 VAL 38 HG23 VAL 38 7.584 0.851 3.715 281 H ASP 39 HN ASP 39 11.281 -1.782 3.312 282 HA ASP 39 HA ASP 39 12.294 -3.000 4.832 283 HB2 ASP 39 HB2 ASP 39 10.664 -1.864 6.458 284 HB3 ASP 39 HB1 ASP 39 9.723 -3.351 6.396 285 H SER 40 HN SER 40 10.036 -4.073 2.891 286 HA SER 40 HA SER 40 9.704 -5.882 1.737 287 HB2 SER 40 HB2 SER 40 11.981 -5.958 1.403 288 HB3 SER 40 HB1 SER 40 12.338 -6.709 2.985 289 H LEU 41 HN LEU 41 10.688 -7.322 4.876 290 HA LEU 41 HA LEU 41 8.500 -9.194 4.588 291 HB2 LEU 41 HB2 LEU 41 9.235 -10.103 6.814 292 HB3 LEU 41 HB1 LEU 41 10.447 -10.158 5.561 293 HG LEU 41 HG LEU 41 11.480 -8.094 6.639 294 HD11 LEU 41 HD11 LEU 41 9.673 -8.823 8.933 295 HD12 LEU 41 HD12 LEU 41 9.581 -7.366 7.952 296 HD13 LEU 41 HD13 LEU 41 10.993 -7.645 8.977 297 HD21 LEU 41 HD21 LEU 41 11.370 -10.644 8.232 298 HD22 LEU 41 HD22 LEU 41 12.603 -9.390 8.381 299 HD23 LEU 41 HD23 LEU 41 12.443 -10.298 6.876 300 H SER 42 HN SER 42 9.130 -6.294 6.217 301 HA SER 42 HA SER 42 6.930 -6.395 8.020 302 HB2 SER 42 HB2 SER 42 9.024 -5.151 8.534 303 HB3 SER 42 HB1 SER 42 8.693 -4.067 7.193 304 HG SER 42 HG SER 42 7.036 -4.404 9.482 305 H MET 43 HN MET 43 7.217 -5.891 4.815 306 HA MET 43 HA MET 43 5.543 -3.954 4.078 307 HB2 MET 43 HB2 MET 43 6.431 -4.906 2.230 308 HB3 MET 43 HB1 MET 43 6.410 -6.513 2.926 309 HG2 MET 43 HG2 MET 43 3.936 -5.211 1.897 310 HG3 MET 43 HG1 MET 43 5.075 -6.073 0.850 311 HE1 MET 43 HE1 MET 43 1.834 -6.584 1.714 312 HE2 MET 43 HE2 MET 43 1.804 -8.340 1.538 313 HE3 MET 43 HE3 MET 43 2.620 -7.341 0.334 314 H VAL 44 HN VAL 44 4.578 -7.040 5.442 315 HA VAL 44 HA VAL 44 1.821 -6.842 4.856 316 HB VAL 44 HB VAL 44 3.146 -8.423 7.091 317 HG11 VAL 44 HG11 VAL 44 0.366 -8.713 5.940 318 HG12 VAL 44 HG12 VAL 44 0.754 -8.107 7.549 319 HG13 VAL 44 HG13 VAL 44 1.106 -9.783 7.131 320 HG21 VAL 44 HG21 VAL 44 2.914 -10.311 5.563 321 HG22 VAL 44 HG22 VAL 44 3.925 -9.012 4.911 322 HG23 VAL 44 HG23 VAL 44 2.257 -9.219 4.330 323 H GLU 45 HN GLU 45 3.754 -5.454 7.374 324 HA GLU 45 HA GLU 45 1.582 -4.816 9.088 325 HB2 GLU 45 HB2 GLU 45 4.340 -3.594 8.936 326 HB3 GLU 45 HB1 GLU 45 3.199 -3.391 10.259 327 HG2 GLU 45 HG2 GLU 45 3.295 -5.835 10.643 328 HG3 GLU 45 HG1 GLU 45 4.503 -5.941 9.383 329 H VAL 46 HN VAL 46 3.237 -3.283 6.424 330 HA VAL 46 HA VAL 46 2.129 -0.698 6.497 331 HB VAL 46 HB VAL 46 2.499 -2.324 3.964 332 HG11 VAL 46 HG11 VAL 46 2.608 0.668 4.425 333 HG12 VAL 46 HG12 VAL 46 1.331 -0.211 3.608 334 HG13 VAL 46 HG13 VAL 46 2.935 -0.137 2.895 335 HG21 VAL 46 HG21 VAL 46 4.569 -0.725 5.446 336 HG22 VAL 46 HG22 VAL 46 4.778 -1.446 3.852 337 HG23 VAL 46 HG23 VAL 46 4.533 -2.477 5.263 338 H VAL 47 HN VAL 47 1.084 -3.633 4.877 339 HA VAL 47 HA VAL 47 -1.354 -2.947 3.803 340 HB VAL 47 HB VAL 47 -0.763 -5.551 5.231 341 HG11 VAL 47 HG11 VAL 47 -2.651 -4.931 2.964 342 HG12 VAL 47 HG12 VAL 47 -3.103 -5.305 4.628 343 HG13 VAL 47 HG13 VAL 47 -2.333 -6.535 3.627 344 HG21 VAL 47 HG21 VAL 47 0.050 -6.368 3.071 345 HG22 VAL 47 HG22 VAL 47 1.023 -5.024 3.673 346 HG23 VAL 47 HG23 VAL 47 -0.156 -4.756 2.391 347 H VAL 48 HN VAL 48 -0.898 -4.457 6.993 348 HA VAL 48 HA VAL 48 -3.442 -4.343 8.019 349 HB VAL 48 HB VAL 48 -0.854 -3.911 9.548 350 HG11 VAL 48 HG11 VAL 48 -2.066 -4.749 11.509 351 HG12 VAL 48 HG12 VAL 48 -3.554 -4.809 10.564 352 HG13 VAL 48 HG13 VAL 48 -2.784 -3.257 10.897 353 HG21 VAL 48 HG21 VAL 48 -0.862 -5.973 8.257 354 HG22 VAL 48 HG22 VAL 48 -2.408 -6.433 8.969 355 HG23 VAL 48 HG23 VAL 48 -0.968 -6.320 9.982 356 H ALA 49 HN ALA 49 -1.022 -1.755 8.282 357 HA ALA 49 HA ALA 49 -2.812 -0.055 9.749 358 HB1 ALA 49 HB1 ALA 49 -1.053 1.600 9.673 359 HB2 ALA 49 HB2 ALA 49 -0.160 0.633 8.496 360 HB3 ALA 49 HB3 ALA 49 -0.399 0.030 10.140 361 H ALA 50 HN ALA 50 -1.838 -0.381 6.398 362 HA ALA 50 HA ALA 50 -3.082 1.973 5.462 363 HB1 ALA 50 HB1 ALA 50 -3.005 0.904 3.251 364 HB2 ALA 50 HB2 ALA 50 -2.602 -0.638 4.007 365 HB3 ALA 50 HB3 ALA 50 -1.469 0.712 4.095 366 H GLU 51 HN GLU 51 -4.167 -1.355 5.940 367 HA GLU 51 HA GLU 51 -6.741 -1.171 4.998 368 HB2 GLU 51 HB2 GLU 51 -5.797 -2.645 7.451 369 HB3 GLU 51 HB1 GLU 51 -7.374 -2.850 6.723 370 HG2 GLU 51 HG2 GLU 51 -6.280 -3.685 4.682 371 HG3 GLU 51 HG1 GLU 51 -4.719 -3.551 5.512 372 H GLU 52 HN GLU 52 -5.489 -0.498 8.193 373 HA GLU 52 HA GLU 52 -7.770 0.356 9.477 374 HB2 GLU 52 HB2 GLU 52 -5.665 -0.108 10.610 375 HB3 GLU 52 HB1 GLU 52 -4.919 1.281 9.839 376 HG2 GLU 52 HG2 GLU 52 -5.473 1.733 12.155 377 HG3 GLU 52 HG1 GLU 52 -6.397 2.767 11.066 378 H ARG 53 HN ARG 53 -5.400 2.223 7.669 379 HA ARG 53 HA ARG 53 -6.430 4.791 8.012 380 HB2 ARG 53 HB2 ARG 53 -4.186 4.338 7.180 381 HB3 ARG 53 HB1 ARG 53 -4.850 3.655 5.708 382 HG2 ARG 53 HG2 ARG 53 -4.012 5.869 5.277 383 HG3 ARG 53 HG1 ARG 53 -5.768 5.867 5.124 384 HD2 ARG 53 HD2 ARG 53 -5.999 6.878 7.300 385 HD3 ARG 53 HD1 ARG 53 -4.261 6.751 7.584 386 HE ARG 53 HE ARG 53 -5.478 8.452 5.511 387 HH11 ARG 53 HH11 ARG 53 -3.045 7.896 8.037 388 HH12 ARG 53 HH12 ARG 53 -2.215 9.354 7.758 389 HH21 ARG 53 HH21 ARG 53 -4.332 10.479 5.139 390 HH22 ARG 53 HH22 ARG 53 -2.930 10.836 6.058 391 H PHE 54 HN PHE 54 -7.145 2.420 5.462 392 HA PHE 54 HA PHE 54 -8.946 4.373 4.179 393 HB2 PHE 54 HB2 PHE 54 -8.364 1.589 3.184 394 HB3 PHE 54 HB1 PHE 54 -8.994 2.956 2.280 395 HD1 PHE 54 HD1 PHE 54 -7.165 5.098 2.898 396 HD2 PHE 54 HD2 PHE 54 -6.417 0.969 2.279 397 HE1 PHE 54 HE1 PHE 54 -4.883 5.635 2.209 398 HE2 PHE 54 HE2 PHE 54 -4.096 1.493 1.594 399 HZ PHE 54 HZ PHE 54 -3.333 3.832 1.566 400 H ASP 55 HN ASP 55 -9.170 2.090 6.526 401 HA ASP 55 HA ASP 55 -10.743 0.784 7.462 402 HB2 ASP 55 HB2 ASP 55 -12.713 2.342 5.730 403 HB3 ASP 55 HB1 ASP 55 -13.175 1.230 7.003 404 H VAL 56 HN VAL 56 -9.360 0.030 5.117 405 HA VAL 56 HA VAL 56 -11.312 -1.499 3.583 406 HB VAL 56 HB VAL 56 -9.469 -0.126 2.413 407 HG11 VAL 56 HG11 VAL 56 -7.520 -0.726 3.647 408 HG12 VAL 56 HG12 VAL 56 -7.338 -1.278 1.969 409 HG13 VAL 56 HG13 VAL 56 -7.737 -2.427 3.223 410 HG21 VAL 56 HG21 VAL 56 -10.837 -1.663 1.167 411 HG22 VAL 56 HG22 VAL 56 -9.799 -3.011 1.632 412 HG23 VAL 56 HG23 VAL 56 -9.173 -1.735 0.585 413 H LYS 57 HN LYS 57 -10.356 -3.723 2.883 414 HA LYS 57 HA LYS 57 -9.183 -5.118 5.158 415 HB2 LYS 57 HB2 LYS 57 -11.840 -5.913 3.898 416 HB3 LYS 57 HB1 LYS 57 -10.880 -7.002 4.872 417 HG2 LYS 57 HG2 LYS 57 -12.556 -6.220 6.323 418 HG3 LYS 57 HG1 LYS 57 -11.130 -5.294 6.756 419 HD2 LYS 57 HD2 LYS 57 -12.016 -3.428 5.322 420 HD3 LYS 57 HD1 LYS 57 -13.498 -4.367 5.120 421 HE2 LYS 57 HE2 LYS 57 -13.826 -4.363 7.551 422 HE3 LYS 57 HE1 LYS 57 -12.342 -3.435 7.748 423 HZ1 LYS 57 HZ1 LYS 57 -13.473 -1.666 6.331 424 HZ2 LYS 57 HZ2 LYS 57 -14.058 -1.900 7.870 425 HZ3 LYS 57 HZ3 LYS 57 -14.929 -2.514 6.585 426 H ILE 58 HN ILE 58 -7.426 -5.975 4.290 427 HA ILE 58 HA ILE 58 -7.683 -7.549 1.846 428 HB ILE 58 HB ILE 58 -5.381 -5.566 2.098 429 HG12 ILE 58 HG12 ILE 58 -7.843 -5.245 0.346 430 HG13 ILE 58 HG11 ILE 58 -7.535 -4.315 1.804 431 HG21 ILE 58 HG21 ILE 58 -5.042 -6.115 -0.264 432 HG22 ILE 58 HG22 ILE 58 -6.460 -7.153 -0.224 433 HG23 ILE 58 HG23 ILE 58 -5.028 -7.586 0.720 434 HD11 ILE 58 HD11 ILE 58 -6.980 -3.051 -0.190 435 HD12 ILE 58 HD12 ILE 58 -5.840 -4.306 -0.683 436 HD13 ILE 58 HD13 ILE 58 -5.542 -3.364 0.781 437 HA PRO 59 HA PRO 59 -5.178 -9.908 4.834 438 HB2 PRO 59 HB2 PRO 59 -5.392 -12.269 3.451 439 HB3 PRO 59 HB1 PRO 59 -6.614 -11.683 4.584 440 HG2 PRO 59 HG2 PRO 59 -6.574 -11.549 1.604 441 HG3 PRO 59 HG1 PRO 59 -7.927 -11.889 2.696 442 HD2 PRO 59 HD2 PRO 59 -7.559 -9.476 1.527 443 HD3 PRO 59 HD1 PRO 59 -8.309 -9.665 3.125 444 H ASP 60 HN ASP 60 -3.139 -11.151 4.634 445 HA ASP 60 HA ASP 60 -1.349 -9.800 2.912 446 HB2 ASP 60 HB2 ASP 60 0.442 -11.282 3.667 447 HB3 ASP 60 HB1 ASP 60 -0.427 -10.535 5.000 448 H ASP 61 HN ASP 61 -2.870 -12.883 2.584 449 HA ASP 61 HA ASP 61 -1.220 -13.685 0.396 450 HB2 ASP 61 HB2 ASP 61 -2.358 -15.405 1.662 451 HB3 ASP 61 HB1 ASP 61 -3.926 -14.692 1.303 452 H ASP 62 HN ASP 62 -3.913 -11.621 0.726 453 HA ASP 62 HA ASP 62 -4.644 -11.764 -2.088 454 HB2 ASP 62 HB2 ASP 62 -6.278 -11.308 -0.062 455 HB3 ASP 62 HB1 ASP 62 -5.600 -9.679 -0.209 456 H VAL 63 HN VAL 63 -2.939 -9.605 0.172 457 HA VAL 63 HA VAL 63 -2.864 -7.443 -1.606 458 HB VAL 63 HB VAL 63 -2.694 -7.039 0.781 459 HG11 VAL 63 HG11 VAL 63 -0.070 -8.465 0.669 460 HG12 VAL 63 HG12 VAL 63 -1.563 -9.056 1.386 461 HG13 VAL 63 HG13 VAL 63 -0.751 -7.643 2.079 462 HG21 VAL 63 HG21 VAL 63 -1.629 -5.371 -0.653 463 HG22 VAL 63 HG22 VAL 63 -0.113 -6.275 -0.570 464 HG23 VAL 63 HG23 VAL 63 -0.772 -5.531 0.885 465 H LYS 64 HN LYS 64 -1.010 -10.278 -1.466 466 HA LYS 64 HA LYS 64 1.449 -9.412 -2.358 467 HB2 LYS 64 HB2 LYS 64 1.968 -11.660 -2.999 468 HB3 LYS 64 HB1 LYS 64 1.035 -11.678 -1.520 469 HG2 LYS 64 HG2 LYS 64 -0.929 -12.422 -2.731 470 HG3 LYS 64 HG1 LYS 64 -0.063 -12.278 -4.266 471 HD2 LYS 64 HD2 LYS 64 1.593 -13.939 -3.418 472 HD3 LYS 64 HD1 LYS 64 0.595 -14.142 -1.984 473 HE2 LYS 64 HE2 LYS 64 -0.322 -14.674 -4.811 474 HE3 LYS 64 HE1 LYS 64 0.273 -15.905 -3.705 475 HZ1 LYS 64 HZ1 LYS 64 -2.150 -15.800 -3.780 476 HZ2 LYS 64 HZ2 LYS 64 -2.134 -14.217 -3.208 477 HZ3 LYS 64 HZ3 LYS 64 -1.579 -15.473 -2.242 478 H ASN 65 HN ASN 65 -1.354 -9.067 -4.068 479 HA ASN 65 HA ASN 65 -0.305 -9.702 -6.712 480 HB2 ASN 65 HB2 ASN 65 -3.048 -8.817 -5.812 481 HB3 ASN 65 HB1 ASN 65 -2.601 -9.140 -7.481 482 HD21 ASN 65 HD21 ASN 65 -3.341 -10.513 -4.393 483 HD22 ASN 65 HD22 ASN 65 -3.399 -12.156 -4.918 484 H LEU 66 HN LEU 66 -0.092 -7.175 -4.659 485 HA LEU 66 HA LEU 66 -0.705 -5.085 -6.540 486 HB2 LEU 66 HB2 LEU 66 0.767 -4.843 -3.919 487 HB3 LEU 66 HB1 LEU 66 0.031 -3.545 -4.837 488 HG LEU 66 HG LEU 66 -1.347 -5.722 -3.294 489 HD11 LEU 66 HD11 LEU 66 -0.555 -3.900 -1.975 490 HD12 LEU 66 HD12 LEU 66 -2.313 -3.925 -2.056 491 HD13 LEU 66 HD13 LEU 66 -1.406 -2.740 -3.006 492 HD21 LEU 66 HD21 LEU 66 -3.448 -4.806 -3.992 493 HD22 LEU 66 HD22 LEU 66 -2.541 -5.394 -5.379 494 HD23 LEU 66 HD23 LEU 66 -2.639 -3.652 -5.058 495 H LYS 67 HN LYS 67 1.044 -3.363 -6.872 496 HA LYS 67 HA LYS 67 3.707 -4.430 -7.116 497 HB2 LYS 67 HB2 LYS 67 2.708 -4.980 -9.245 498 HB3 LYS 67 HB1 LYS 67 2.018 -3.370 -9.387 499 HG2 LYS 67 HG2 LYS 67 4.406 -2.531 -9.346 500 HG3 LYS 67 HG1 LYS 67 4.874 -4.217 -9.621 501 HD2 LYS 67 HD2 LYS 67 3.444 -4.249 -11.624 502 HD3 LYS 67 HD1 LYS 67 3.035 -2.553 -11.265 503 HE2 LYS 67 HE2 LYS 67 5.219 -1.842 -11.586 504 HE3 LYS 67 HE1 LYS 67 5.837 -3.496 -11.668 505 HZ1 LYS 67 HZ1 LYS 67 3.954 -2.314 -13.641 506 HZ2 LYS 67 HZ2 LYS 67 4.723 -3.830 -13.731 507 HZ3 LYS 67 HZ3 LYS 67 5.629 -2.405 -13.874 508 H THR 68 HN THR 68 1.892 -1.704 -8.484 509 HA THR 68 HA THR 68 3.645 0.083 -6.971 510 HB THR 68 HB THR 68 2.985 1.818 -8.590 511 HG1 THR 68 HG1 THR 68 1.474 -0.287 -9.821 512 HG21 THR 68 HG21 THR 68 4.052 0.918 -10.615 513 HG22 THR 68 HG22 THR 68 3.869 -0.719 -9.983 514 HG23 THR 68 HG23 THR 68 4.929 0.431 -9.166 515 H VAL 69 HN VAL 69 2.245 2.280 -6.688 516 HA VAL 69 HA VAL 69 -0.040 1.348 -5.289 517 HB VAL 69 HB VAL 69 -0.423 3.564 -4.418 518 HG11 VAL 69 HG11 VAL 69 1.651 3.924 -3.218 519 HG12 VAL 69 HG12 VAL 69 2.480 2.849 -4.346 520 HG13 VAL 69 HG13 VAL 69 1.203 2.220 -3.294 521 HG21 VAL 69 HG21 VAL 69 0.913 5.436 -4.983 522 HG22 VAL 69 HG22 VAL 69 0.176 4.746 -6.447 523 HG23 VAL 69 HG23 VAL 69 1.869 4.452 -6.085 524 H GLY 70 HN GLY 70 0.554 2.251 -8.431 525 HA2 GLY 70 HA2 GLY 70 -1.956 3.457 -9.025 526 HA3 GLY 70 HA1 GLY 70 -0.873 2.661 -10.175 527 H ASP 71 HN ASP 71 -0.621 0.271 -8.882 528 HA ASP 71 HA ASP 71 -2.926 -1.229 -9.607 529 HB2 ASP 71 HB2 ASP 71 -0.630 -1.976 -7.763 530 HB3 ASP 71 HB1 ASP 71 -1.785 -3.117 -8.418 531 H ALA 72 HN ALA 72 -1.418 -0.389 -6.540 532 HA ALA 72 HA ALA 72 -3.211 -1.496 -4.784 533 HB1 ALA 72 HB1 ALA 72 -2.303 -0.064 -3.080 534 HB2 ALA 72 HB2 ALA 72 -1.671 1.041 -4.294 535 HB3 ALA 72 HB3 ALA 72 -1.007 -0.589 -4.155 536 H THR 73 HN THR 73 -3.330 1.835 -6.066 537 HA THR 73 HA THR 73 -5.428 2.801 -4.583 538 HB THR 73 HB THR 73 -4.848 3.378 -7.514 539 HG1 THR 73 HG1 THR 73 -3.068 3.822 -6.143 540 HG21 THR 73 HG21 THR 73 -7.070 4.198 -6.828 541 HG22 THR 73 HG22 THR 73 -5.941 5.530 -7.098 542 HG23 THR 73 HG23 THR 73 -6.326 5.027 -5.455 543 H LYS 74 HN LYS 74 -5.792 1.359 -7.848 544 HA LYS 74 HA LYS 74 -8.614 1.315 -7.809 545 HB2 LYS 74 HB2 LYS 74 -6.596 -0.189 -9.450 546 HB3 LYS 74 HB1 LYS 74 -8.313 -0.478 -9.626 547 HG2 LYS 74 HG2 LYS 74 -7.562 0.980 -11.353 548 HG3 LYS 74 HG1 LYS 74 -8.611 1.869 -10.260 549 HD2 LYS 74 HD2 LYS 74 -6.735 3.007 -9.284 550 HD3 LYS 74 HD1 LYS 74 -5.596 1.964 -10.144 551 HE2 LYS 74 HE2 LYS 74 -7.543 3.849 -11.474 552 HE3 LYS 74 HE1 LYS 74 -5.844 4.216 -11.174 553 HZ1 LYS 74 HZ1 LYS 74 -6.795 1.920 -12.833 554 HZ2 LYS 74 HZ2 LYS 74 -5.200 2.423 -12.611 555 HZ3 LYS 74 HZ3 LYS 74 -6.263 3.393 -13.460 556 H TYR 75 HN TYR 75 -6.231 -0.949 -6.745 557 HA TYR 75 HA TYR 75 -7.908 -3.220 -6.591 558 HB2 TYR 75 HB2 TYR 75 -5.428 -3.218 -6.802 559 HB3 TYR 75 HB1 TYR 75 -5.331 -2.652 -5.144 560 HD1 TYR 75 HD2 TYR 75 -6.003 -4.174 -3.286 561 HD2 TYR 75 HD1 TYR 75 -5.828 -5.442 -7.332 562 HE1 TYR 75 HE2 TYR 75 -5.960 -6.474 -2.531 563 HE2 TYR 75 HE1 TYR 75 -5.770 -7.769 -6.618 564 HH TYR 75 HH TYR 75 -6.341 -8.695 -3.370 565 H ILE 76 HN ILE 76 -6.635 -0.896 -4.268 566 HA ILE 76 HA ILE 76 -7.890 -2.004 -2.018 567 HB ILE 76 HB ILE 76 -6.699 0.739 -2.513 568 HG12 ILE 76 HG12 ILE 76 -5.695 -1.621 -0.905 569 HG13 ILE 76 HG11 ILE 76 -5.147 -1.187 -2.518 570 HG21 ILE 76 HG21 ILE 76 -7.664 -0.425 0.092 571 HG22 ILE 76 HG22 ILE 76 -8.426 0.870 -0.832 572 HG23 ILE 76 HG23 ILE 76 -6.826 1.124 -0.116 573 HD11 ILE 76 HD11 ILE 76 -3.574 -0.472 -0.806 574 HD12 ILE 76 HD12 ILE 76 -4.842 0.491 -0.042 575 HD13 ILE 76 HD13 ILE 76 -4.266 0.910 -1.656 576 H LEU 77 HN LEU 77 -8.773 0.603 -4.284 577 HA LEU 77 HA LEU 77 -11.080 1.358 -2.987 578 HB2 LEU 77 HB2 LEU 77 -10.453 1.382 -5.934 579 HB3 LEU 77 HB1 LEU 77 -11.919 2.082 -5.281 580 HG LEU 77 HG LEU 77 -9.108 2.967 -4.635 581 HD11 LEU 77 HD11 LEU 77 -9.702 4.981 -5.878 582 HD12 LEU 77 HD12 LEU 77 -11.264 4.272 -6.287 583 HD13 LEU 77 HD13 LEU 77 -9.777 3.547 -6.902 584 HD21 LEU 77 HD21 LEU 77 -11.775 4.093 -3.799 585 HD22 LEU 77 HD22 LEU 77 -10.202 4.819 -3.471 586 HD23 LEU 77 HD23 LEU 77 -10.624 3.263 -2.753 587 H ASP 78 HN ASP 78 -10.519 -1.148 -5.355 588 HA ASP 78 HA ASP 78 -13.109 -2.143 -5.701 589 HB2 ASP 78 HB2 ASP 78 -11.300 -2.750 -7.185 590 HB3 ASP 78 HB1 ASP 78 -10.415 -3.499 -5.868 591 H HIS 79 HN HIS 79 -10.765 -2.698 -3.194 592 HA HIS 79 HA HIS 79 -12.375 -4.760 -1.917 593 HB2 HIS 79 HB2 HIS 79 -9.649 -3.730 -1.518 594 HB3 HIS 79 HB1 HIS 79 -10.487 -4.243 -0.062 595 HD1 HIS 79 HD1 HIS 79 -11.222 -6.748 0.045 596 HD2 HIS 79 HD2 HIS 79 -8.741 -5.775 -3.142 597 HE1 HIS 79 HE1 HIS 79 -10.316 -8.923 -0.795 598 HE2 HIS 79 HE2 HIS 79 -8.497 -8.220 -2.314 599 H GLN 80 HN GLN 80 -12.578 -1.484 -1.989 600 HA GLN 80 HA GLN 80 -13.119 -1.142 0.837 601 HB2 GLN 80 HB2 GLN 80 -12.756 0.739 -1.430 602 HB3 GLN 80 HB1 GLN 80 -13.635 1.268 -0.007 603 HG2 GLN 80 HG2 GLN 80 -11.735 0.786 1.383 604 HG3 GLN 80 HG1 GLN 80 -10.865 0.168 -0.025 605 HE21 GLN 80 HE21 GLN 80 -9.332 1.675 0.367 606 HE22 GLN 80 HE22 GLN 80 -9.498 3.338 -0.127 607 H ALA 81 HN ALA 81 -14.918 -0.123 1.584 608 HA ALA 81 HA ALA 81 -17.304 -0.158 -0.055 609 HB1 ALA 81 HB1 ALA 81 -17.372 -2.203 1.304 610 HB2 ALA 81 HB2 ALA 81 -18.547 -1.037 1.913 611 HB3 ALA 81 HB3 ALA 81 -17.013 -1.267 2.754 612 H2 SOO 101 H2A SOO 101 4.698 -4.949 -1.508 613 H3 SOO 101 H3A SOO 101 1.740 -4.993 -0.593 614 H4 SOO 101 H4A SOO 101 4.114 -3.564 0.530 615 H4A SOO 101 H4B SOO 101 3.377 -2.630 -0.770 616 H5 SOO 101 H5A SOO 101 2.531 -1.973 1.443 617 H5A SOO 101 H5B SOO 101 1.958 -3.617 1.704 618 H6 SOO 101 H6A SOO 101 0.438 -3.413 -0.187 619 H6A SOO 101 H6B SOO 101 1.017 -1.771 -0.484 620 H7 SOO 101 H7A SOO 101 0.202 -1.079 1.723 621 H7A SOO 101 H7B SOO 101 -0.371 -2.729 2.026 622 H8 SOO 101 H8C SOO 101 -2.182 -1.267 1.272 623 H8A SOO 101 H8A SOO 101 -1.864 -2.545 0.099 624 H8B SOO 101 H8B SOO 101 -1.280 -0.907 -0.199 625 H28 SOO 101 H28A SOO 101 9.849 -10.690 2.541 626 H28A SOO 101 H28B SOO 101 9.740 -9.214 1.582 627 H30 SOO 101 H30A SOO 101 9.329 -10.916 -1.648 628 H30A SOO 101 H30B SOO 101 10.927 -10.804 -0.899 629 H30B SOO 101 H30C SOO 101 9.847 -9.423 -0.836 630 H31 SOO 101 H31A SOO 101 10.605 -12.728 0.571 631 H31A SOO 101 H31B SOO 101 9.015 -13.025 -0.134 632 H31B SOO 101 H31C SOO 101 9.183 -12.828 1.611 633 H32 SOO 101 H32A SOO 101 7.693 -9.595 0.431 634 HO33 SOO 101 H33A SOO 101 7.567 -12.005 -0.881 635 HN36 SOO 101 H36A SOO 101 5.657 -11.174 0.680 636 H37 SOO 101 H37A SOO 101 5.163 -12.207 3.393 637 H37A SOO 101 H37B SOO 101 4.473 -10.656 3.014 638 H38 SOO 101 H38A SOO 101 3.717 -13.240 1.736 639 H38A SOO 101 H38B SOO 101 2.696 -11.927 2.455 640 HN41 SOO 101 H41A SOO 101 3.988 -9.928 1.050 641 H42 SOO 101 H42A SOO 101 3.624 -10.370 -1.838 642 H42A SOO 101 H42B SOO 101 2.671 -9.109 -1.052 643 H43 SOO 101 H43A SOO 101 5.692 -9.232 -1.203 644 H43A SOO 101 H43B SOO 101 4.752 -8.063 -0.278 Start of MODEL 8 1 H1 ALA 1 HT1 ALA 1 -15.034 6.275 3.004 2 H2 ALA 1 HT2 ALA 1 -16.419 5.697 2.190 3 H3 ALA 1 HT3 ALA 1 -15.695 7.166 1.749 4 HA ALA 1 HA ALA 1 -14.312 4.600 1.534 5 HB1 ALA 1 HB1 ALA 1 -16.197 4.684 -0.030 6 HB2 ALA 1 HB2 ALA 1 -14.660 4.834 -0.883 7 HB3 ALA 1 HB3 ALA 1 -15.655 6.262 -0.604 8 H ALA 2 HN ALA 2 -12.596 5.108 -0.289 9 HA ALA 2 HA ALA 2 -11.347 7.660 0.461 10 HB1 ALA 2 HB1 ALA 2 -10.128 5.720 1.350 11 HB2 ALA 2 HB2 ALA 2 -9.178 6.577 0.139 12 HB3 ALA 2 HB3 ALA 2 -9.980 5.064 -0.279 13 H THR 3 HN THR 3 -9.532 8.101 -1.318 14 HA THR 3 HA THR 3 -10.587 7.590 -3.987 15 HB THR 3 HB THR 3 -9.764 9.911 -4.550 16 HG1 THR 3 HG1 THR 3 -9.736 11.284 -2.519 17 HG21 THR 3 HG21 THR 3 -11.977 9.789 -2.483 18 HG22 THR 3 HG22 THR 3 -12.172 9.501 -4.209 19 HG23 THR 3 HG23 THR 3 -11.718 11.107 -3.627 20 H GLN 4 HN GLN 4 -8.486 8.746 -5.428 21 HA GLN 4 HA GLN 4 -6.349 7.016 -4.860 22 HB2 GLN 4 HB2 GLN 4 -6.974 7.501 -7.136 23 HB3 GLN 4 HB1 GLN 4 -6.825 9.221 -6.874 24 HG2 GLN 4 HG2 GLN 4 -4.386 7.581 -6.496 25 HG3 GLN 4 HG1 GLN 4 -4.999 7.738 -8.139 26 HE21 GLN 4 HE21 GLN 4 -3.541 9.410 -5.447 27 HE22 GLN 4 HE22 GLN 4 -3.169 10.845 -6.340 28 H GLU 5 HN GLU 5 -7.089 10.427 -4.424 29 HA GLU 5 HA GLU 5 -4.558 11.259 -3.570 30 HB2 GLU 5 HB2 GLU 5 -7.156 12.363 -2.492 31 HB3 GLU 5 HB1 GLU 5 -5.614 13.183 -2.616 32 HG2 GLU 5 HG2 GLU 5 -6.777 14.137 -4.335 33 HG3 GLU 5 HG1 GLU 5 -5.966 12.817 -5.180 34 H GLU 6 HN GLU 6 -7.304 9.931 -1.810 35 HA GLU 6 HA GLU 6 -6.135 10.221 0.756 36 HB2 GLU 6 HB2 GLU 6 -8.272 8.267 -0.099 37 HB3 GLU 6 HB1 GLU 6 -7.838 8.645 1.560 38 HG2 GLU 6 HG2 GLU 6 -9.092 10.474 -0.470 39 HG3 GLU 6 HG1 GLU 6 -9.837 9.817 0.986 40 H ILE 7 HN ILE 7 -6.283 7.448 -1.440 41 HA ILE 7 HA ILE 7 -4.997 5.664 0.295 42 HB ILE 7 HB ILE 7 -5.257 5.635 -2.720 43 HG12 ILE 7 HG12 ILE 7 -6.662 4.101 -0.531 44 HG13 ILE 7 HG11 ILE 7 -7.329 5.468 -1.416 45 HG21 ILE 7 HG21 ILE 7 -3.277 4.316 -2.083 46 HG22 ILE 7 HG22 ILE 7 -4.583 3.267 -2.634 47 HG23 ILE 7 HG23 ILE 7 -4.248 3.423 -0.909 48 HD11 ILE 7 HD11 ILE 7 -6.555 2.813 -2.576 49 HD12 ILE 7 HD12 ILE 7 -7.228 4.176 -3.470 50 HD13 ILE 7 HD13 ILE 7 -8.193 3.366 -2.234 51 H VAL 8 HN VAL 8 -3.660 7.277 -2.552 52 HA VAL 8 HA VAL 8 -1.043 6.397 -2.276 53 HB VAL 8 HB VAL 8 -2.133 8.921 -3.544 54 HG11 VAL 8 HG11 VAL 8 0.559 7.613 -3.929 55 HG12 VAL 8 HG12 VAL 8 0.261 9.168 -3.137 56 HG13 VAL 8 HG13 VAL 8 -0.088 8.969 -4.855 57 HG21 VAL 8 HG21 VAL 8 -3.038 6.854 -4.433 58 HG22 VAL 8 HG22 VAL 8 -1.407 6.232 -4.679 59 HG23 VAL 8 HG23 VAL 8 -1.969 7.627 -5.603 60 H ALA 9 HN ALA 9 -2.324 9.575 -1.251 61 HA ALA 9 HA ALA 9 0.084 10.436 -0.067 62 HB1 ALA 9 HB1 ALA 9 -1.671 11.979 -0.752 63 HB2 ALA 9 HB2 ALA 9 -1.254 12.211 0.950 64 HB3 ALA 9 HB3 ALA 9 -2.728 11.339 0.503 65 H GLY 10 HN GLY 10 -2.659 8.652 1.254 66 HA2 GLY 10 HA2 GLY 10 -1.832 8.951 3.976 67 HA3 GLY 10 HA1 GLY 10 -3.084 7.875 3.370 68 H LEU 11 HN LEU 11 -1.507 6.541 1.477 69 HA LEU 11 HA LEU 11 -0.499 4.367 2.835 70 HB2 LEU 11 HB2 LEU 11 -0.957 5.113 0.232 71 HB3 LEU 11 HB1 LEU 11 0.789 4.996 0.277 72 HG LEU 11 HG LEU 11 -1.130 2.814 1.044 73 HD11 LEU 11 HD11 LEU 11 -1.252 3.322 -1.331 74 HD12 LEU 11 HD12 LEU 11 -0.480 1.759 -1.065 75 HD13 LEU 11 HD13 LEU 11 0.501 3.169 -1.470 76 HD21 LEU 11 HD21 LEU 11 1.009 2.607 2.186 77 HD22 LEU 11 HD22 LEU 11 1.862 2.761 0.650 78 HD23 LEU 11 HD23 LEU 11 0.851 1.351 0.958 79 H ALA 12 HN ALA 12 1.111 7.125 1.392 80 HA ALA 12 HA ALA 12 3.740 6.437 1.937 81 HB1 ALA 12 HB1 ALA 12 3.063 8.143 0.359 82 HB2 ALA 12 HB2 ALA 12 4.256 8.728 1.523 83 HB3 ALA 12 HB3 ALA 12 2.554 9.177 1.701 84 H GLU 13 HN GLU 13 1.348 8.011 3.991 85 HA GLU 13 HA GLU 13 3.190 8.865 5.953 86 HB2 GLU 13 HB2 GLU 13 0.227 8.302 6.179 87 HB3 GLU 13 HB1 GLU 13 1.193 8.968 7.486 88 HG2 GLU 13 HG2 GLU 13 1.757 10.891 6.041 89 HG3 GLU 13 HG1 GLU 13 0.687 10.237 4.804 90 H ILE 14 HN ILE 14 1.193 5.957 5.692 91 HA ILE 14 HA ILE 14 2.215 4.781 8.077 92 HB ILE 14 HB ILE 14 0.754 3.515 5.715 93 HG12 ILE 14 HG12 ILE 14 -1.042 3.098 7.444 94 HG13 ILE 14 HG11 ILE 14 -0.102 4.054 8.574 95 HG21 ILE 14 HG21 ILE 14 2.228 1.819 6.600 96 HG22 ILE 14 HG22 ILE 14 0.554 1.444 7.015 97 HG23 ILE 14 HG23 ILE 14 1.634 2.120 8.231 98 HD11 ILE 14 HD11 ILE 14 -1.348 5.022 6.011 99 HD12 ILE 14 HD12 ILE 14 -0.392 6.004 7.119 100 HD13 ILE 14 HD13 ILE 14 -1.933 5.328 7.647 101 H VAL 15 HN VAL 15 3.114 4.577 4.698 102 HA VAL 15 HA VAL 15 5.137 2.682 4.828 103 HB VAL 15 HB VAL 15 4.766 5.084 3.026 104 HG11 VAL 15 HG11 VAL 15 6.966 3.008 2.853 105 HG12 VAL 15 HG12 VAL 15 7.175 4.726 3.211 106 HG13 VAL 15 HG13 VAL 15 6.594 4.224 1.626 107 HG21 VAL 15 HG21 VAL 15 3.252 3.203 2.729 108 HG22 VAL 15 HG22 VAL 15 4.628 2.110 2.561 109 HG23 VAL 15 HG23 VAL 15 4.338 3.358 1.349 110 H ASN 16 HN ASN 16 5.280 6.145 5.420 111 HA ASN 16 HA ASN 16 8.047 6.371 5.730 112 HB2 ASN 16 HB2 ASN 16 6.163 8.182 5.581 113 HB3 ASN 16 HB1 ASN 16 6.170 8.047 7.336 114 HD21 ASN 16 HD21 ASN 16 8.701 7.998 4.886 115 HD22 ASN 16 HD22 ASN 16 9.687 9.208 5.583 116 H GLU 17 HN GLU 17 5.556 5.450 7.973 117 HA GLU 17 HA GLU 17 7.058 5.597 10.386 118 HB2 GLU 17 HB2 GLU 17 4.738 3.783 9.727 119 HB3 GLU 17 HB1 GLU 17 5.277 4.267 11.325 120 HG2 GLU 17 HG2 GLU 17 4.233 6.153 9.259 121 HG3 GLU 17 HG1 GLU 17 3.224 5.398 10.491 122 H ILE 18 HN ILE 18 6.093 2.927 8.317 123 HA ILE 18 HA ILE 18 7.570 0.980 9.840 124 HB ILE 18 HB ILE 18 5.867 0.725 7.359 125 HG12 ILE 18 HG12 ILE 18 5.355 0.148 10.289 126 HG13 ILE 18 HG11 ILE 18 4.733 1.523 9.395 127 HG21 ILE 18 HG21 ILE 18 7.004 -1.419 9.172 128 HG22 ILE 18 HG22 ILE 18 7.506 -1.114 7.509 129 HG23 ILE 18 HG23 ILE 18 5.872 -1.685 7.846 130 HD11 ILE 18 HD11 ILE 18 3.427 0.007 8.002 131 HD12 ILE 18 HD12 ILE 18 3.049 -0.182 9.715 132 HD13 ILE 18 HD13 ILE 18 4.074 -1.363 8.901 133 H ALA 19 HN ALA 19 7.759 2.143 6.468 134 HA ALA 19 HA ALA 19 10.232 0.609 6.117 135 HB1 ALA 19 HB1 ALA 19 8.608 2.128 4.080 136 HB2 ALA 19 HB2 ALA 19 8.497 0.398 4.399 137 HB3 ALA 19 HB3 ALA 19 9.985 1.080 3.739 138 H GLY 20 HN GLY 20 9.074 3.888 6.303 139 HA2 GLY 20 HA2 GLY 20 10.398 5.718 6.949 140 HA3 GLY 20 HA1 GLY 20 11.837 4.795 6.538 141 H ILE 21 HN ILE 21 9.709 4.463 4.076 142 HA ILE 21 HA ILE 21 11.208 6.118 2.302 143 HB ILE 21 HB ILE 21 8.561 4.685 1.882 144 HG12 ILE 21 HG12 ILE 21 10.285 3.092 2.434 145 HG13 ILE 21 HG11 ILE 21 9.924 2.966 0.717 146 HG21 ILE 21 HG21 ILE 21 10.413 5.829 -0.198 147 HG22 ILE 21 HG22 ILE 21 8.806 6.420 0.221 148 HG23 ILE 21 HG23 ILE 21 8.994 4.830 -0.522 149 HD11 ILE 21 HD11 ILE 21 12.309 2.801 1.145 150 HD12 ILE 21 HD12 ILE 21 12.293 4.382 1.922 151 HD13 ILE 21 HD13 ILE 21 11.939 4.241 0.200 152 HA PRO 22 HA PRO 22 9.506 10.134 3.112 153 HB2 PRO 22 HB2 PRO 22 9.546 10.261 0.126 154 HB3 PRO 22 HB1 PRO 22 10.111 11.447 1.312 155 HG2 PRO 22 HG2 PRO 22 11.837 9.862 0.052 156 HG3 PRO 22 HG1 PRO 22 12.054 10.290 1.757 157 HD2 PRO 22 HD2 PRO 22 11.226 7.718 0.547 158 HD3 PRO 22 HD1 PRO 22 12.043 8.030 2.087 159 H VAL 23 HN VAL 23 7.597 11.228 3.086 160 HA VAL 23 HA VAL 23 5.263 9.644 2.558 161 HB VAL 23 HB VAL 23 4.010 11.564 3.541 162 HG11 VAL 23 HG11 VAL 23 6.360 10.588 5.147 163 HG12 VAL 23 HG12 VAL 23 4.812 9.765 4.960 164 HG13 VAL 23 HG13 VAL 23 4.891 11.310 5.802 165 HG21 VAL 23 HG21 VAL 23 6.765 12.700 3.815 166 HG22 VAL 23 HG22 VAL 23 5.308 13.402 4.547 167 HG23 VAL 23 HG23 VAL 23 5.488 13.319 2.781 168 H GLU 24 HN GLU 24 6.879 11.077 0.386 169 HA GLU 24 HA GLU 24 4.520 11.922 -1.165 170 HB2 GLU 24 HB2 GLU 24 5.875 13.715 -2.147 171 HB3 GLU 24 HB1 GLU 24 5.720 13.925 -0.408 172 HG2 GLU 24 HG2 GLU 24 7.946 12.891 -0.120 173 HG3 GLU 24 HG1 GLU 24 8.100 12.811 -1.873 174 H ASP 25 HN ASP 25 6.834 9.711 -0.768 175 HA ASP 25 HA ASP 25 7.770 9.748 -3.528 176 HB2 ASP 25 HB2 ASP 25 9.455 9.836 -1.787 177 HB3 ASP 25 HB1 ASP 25 8.892 8.322 -1.112 178 H VAL 26 HN VAL 26 5.392 8.386 -1.769 179 HA VAL 26 HA VAL 26 5.597 5.787 -3.034 180 HB VAL 26 HB VAL 26 3.595 6.801 -0.961 181 HG11 VAL 26 HG11 VAL 26 4.210 3.991 -1.860 182 HG12 VAL 26 HG12 VAL 26 2.754 4.908 -2.256 183 HG13 VAL 26 HG13 VAL 26 3.079 4.442 -0.584 184 HG21 VAL 26 HG21 VAL 26 5.835 6.803 -0.037 185 HG22 VAL 26 HG22 VAL 26 6.073 5.136 -0.559 186 HG23 VAL 26 HG23 VAL 26 4.874 5.509 0.681 187 H LYS 27 HN LYS 27 5.429 7.138 -4.908 188 HA LYS 27 HA LYS 27 2.912 8.414 -5.576 189 HB2 LYS 27 HB2 LYS 27 5.371 7.940 -7.288 190 HB3 LYS 27 HB1 LYS 27 3.993 8.966 -7.657 191 HG2 LYS 27 HG2 LYS 27 4.576 10.487 -5.879 192 HG3 LYS 27 HG1 LYS 27 5.910 9.439 -5.385 193 HD2 LYS 27 HD2 LYS 27 7.039 9.787 -7.491 194 HD3 LYS 27 HD1 LYS 27 5.665 10.691 -8.122 195 HE2 LYS 27 HE2 LYS 27 7.481 12.190 -7.471 196 HE3 LYS 27 HE1 LYS 27 6.060 12.453 -6.474 197 HZ1 LYS 27 HZ1 LYS 27 7.108 11.212 -4.698 198 HZ2 LYS 27 HZ2 LYS 27 8.078 12.478 -5.168 199 HZ3 LYS 27 HZ3 LYS 27 8.481 10.912 -5.654 200 H LEU 28 HN LEU 28 1.746 7.800 -7.673 201 HA LEU 28 HA LEU 28 0.814 5.281 -7.712 202 HB2 LEU 28 HB2 LEU 28 1.006 7.407 -9.811 203 HB3 LEU 28 HB1 LEU 28 0.154 5.910 -10.081 204 HG LEU 28 HG LEU 28 -1.289 7.702 -9.632 205 HD11 LEU 28 HD11 LEU 28 -2.673 6.729 -7.811 206 HD12 LEU 28 HD12 LEU 28 -1.301 5.722 -7.369 207 HD13 LEU 28 HD13 LEU 28 -2.066 5.528 -8.951 208 HD21 LEU 28 HD21 LEU 28 -1.592 8.781 -7.472 209 HD22 LEU 28 HD22 LEU 28 -0.028 9.188 -8.170 210 HD23 LEU 28 HD23 LEU 28 -0.155 8.000 -6.851 211 H ASP 29 HN ASP 29 3.541 6.595 -9.427 212 HA ASP 29 HA ASP 29 3.915 4.260 -11.116 213 HB2 ASP 29 HB2 ASP 29 5.445 6.848 -10.902 214 HB3 ASP 29 HB1 ASP 29 5.798 5.571 -12.058 215 H LYS 30 HN LYS 30 4.542 4.425 -8.000 216 HA LYS 30 HA LYS 30 7.346 3.612 -8.223 217 HB2 LYS 30 HB2 LYS 30 5.819 4.565 -5.784 218 HB3 LYS 30 HB1 LYS 30 7.532 4.166 -5.869 219 HG2 LYS 30 HG2 LYS 30 6.344 6.340 -7.565 220 HG3 LYS 30 HG1 LYS 30 6.850 6.638 -5.909 221 HD2 LYS 30 HD2 LYS 30 8.708 5.416 -7.929 222 HD3 LYS 30 HD1 LYS 30 8.499 7.164 -7.808 223 HE2 LYS 30 HE2 LYS 30 9.154 7.070 -5.445 224 HE3 LYS 30 HE1 LYS 30 9.372 5.328 -5.578 225 HZ1 LYS 30 HZ1 LYS 30 10.942 7.325 -7.160 226 HZ2 LYS 30 HZ2 LYS 30 11.173 5.630 -7.048 227 HZ3 LYS 30 HZ3 LYS 30 11.444 6.602 -5.723 228 H SER 31 HN SER 31 7.630 1.525 -8.112 229 HA SER 31 HA SER 31 5.528 -0.208 -7.208 230 HB2 SER 31 HB2 SER 31 6.895 -0.760 -9.213 231 HB3 SER 31 HB1 SER 31 8.322 -0.882 -8.185 232 HG SER 31 HG SER 31 6.732 -2.814 -8.783 233 H PHE 32 HN PHE 32 5.423 -1.218 -5.351 234 HA PHE 32 HA PHE 32 6.704 -0.299 -3.031 235 HB2 PHE 32 HB2 PHE 32 5.219 -2.856 -3.562 236 HB3 PHE 32 HB1 PHE 32 5.783 -2.411 -1.968 237 HD1 PHE 32 HD1 PHE 32 4.852 -0.157 -1.058 238 HD2 PHE 32 HD2 PHE 32 3.158 -2.277 -4.325 239 HE1 PHE 32 HE1 PHE 32 2.715 1.002 -0.696 240 HE2 PHE 32 HE2 PHE 32 1.020 -1.121 -3.977 241 HZ PHE 32 HZ PHE 32 0.795 0.516 -2.163 242 H THR 33 HN THR 33 6.830 -3.544 -4.291 243 HA THR 33 HA THR 33 9.358 -3.853 -2.973 244 HB THR 33 HB THR 33 7.541 -5.954 -4.183 245 HG1 THR 33 HG1 THR 33 6.497 -5.876 -2.283 246 HG21 THR 33 HG21 THR 33 8.772 -7.444 -2.708 247 HG22 THR 33 HG22 THR 33 9.722 -6.062 -2.134 248 HG23 THR 33 HG23 THR 33 9.886 -6.613 -3.815 249 H ASP 34 HN ASP 34 10.149 -2.414 -4.608 250 HA ASP 34 HA ASP 34 11.813 -3.716 -6.458 251 HB2 ASP 34 HB2 ASP 34 9.884 -3.830 -7.927 252 HB3 ASP 34 HB1 ASP 34 9.546 -2.120 -7.676 253 H ASP 35 HN ASP 35 10.121 -0.582 -6.170 254 HA ASP 35 HA ASP 35 12.740 0.683 -6.534 255 HB2 ASP 35 HB2 ASP 35 10.807 1.117 -8.152 256 HB3 ASP 35 HB1 ASP 35 10.061 2.002 -6.836 257 H LEU 36 HN LEU 36 9.995 0.473 -4.421 258 HA LEU 36 HA LEU 36 10.912 2.688 -2.774 259 HB2 LEU 36 HB2 LEU 36 8.568 0.829 -2.421 260 HB3 LEU 36 HB1 LEU 36 8.908 2.227 -1.426 261 HG LEU 36 HG LEU 36 8.183 2.256 -4.349 262 HD11 LEU 36 HD11 LEU 36 6.649 3.128 -1.907 263 HD12 LEU 36 HD12 LEU 36 6.299 1.720 -2.915 264 HD13 LEU 36 HD13 LEU 36 6.137 3.346 -3.580 265 HD21 LEU 36 HD21 LEU 36 8.757 4.523 -2.447 266 HD22 LEU 36 HD22 LEU 36 8.128 4.688 -4.090 267 HD23 LEU 36 HD23 LEU 36 9.736 4.014 -3.826 268 H ASP 37 HN ASP 37 10.135 -0.716 -2.288 269 HA ASP 37 HA ASP 37 10.788 -2.304 -0.889 270 HB2 ASP 37 HB2 ASP 37 13.178 -1.703 -1.218 271 HB3 ASP 37 HB1 ASP 37 13.036 -0.469 0.030 272 H VAL 38 HN VAL 38 9.405 -2.703 0.558 273 HA VAL 38 HA VAL 38 8.914 -0.687 2.668 274 HB VAL 38 HB VAL 38 6.961 -2.847 1.841 275 HG11 VAL 38 HG11 VAL 38 5.304 -1.305 2.758 276 HG12 VAL 38 HG12 VAL 38 6.593 -0.164 3.150 277 HG13 VAL 38 HG13 VAL 38 6.535 -1.737 3.944 278 HG21 VAL 38 HG21 VAL 38 7.124 -0.079 0.648 279 HG22 VAL 38 HG22 VAL 38 5.819 -1.237 0.379 280 HG23 VAL 38 HG23 VAL 38 7.450 -1.592 -0.195 281 H ASP 39 HN ASP 39 11.029 -2.505 2.642 282 HA ASP 39 HA ASP 39 12.198 -3.913 3.875 283 HB2 ASP 39 HB2 ASP 39 11.179 -2.474 5.728 284 HB3 ASP 39 HB1 ASP 39 10.017 -3.777 5.949 285 H SER 40 HN SER 40 9.618 -4.638 2.445 286 HA SER 40 HA SER 40 8.479 -6.304 1.594 287 HB2 SER 40 HB2 SER 40 9.682 -8.322 1.008 288 HB3 SER 40 HB1 SER 40 10.544 -6.827 0.630 289 H LEU 41 HN LEU 41 9.775 -7.490 4.581 290 HA LEU 41 HA LEU 41 7.494 -9.252 4.778 291 HB2 LEU 41 HB2 LEU 41 8.451 -9.767 7.098 292 HB3 LEU 41 HB1 LEU 41 9.394 -10.257 5.714 293 HG LEU 41 HG LEU 41 10.798 -8.176 6.077 294 HD11 LEU 41 HD11 LEU 41 10.790 -7.126 8.248 295 HD12 LEU 41 HD12 LEU 41 9.438 -8.142 8.749 296 HD13 LEU 41 HD13 LEU 41 9.204 -6.949 7.483 297 HD21 LEU 41 HD21 LEU 41 10.756 -10.271 8.239 298 HD22 LEU 41 HD22 LEU 41 12.106 -9.196 7.872 299 HD23 LEU 41 HD23 LEU 41 11.578 -10.387 6.682 300 H SER 42 HN SER 42 8.505 -6.171 5.828 301 HA SER 42 HA SER 42 6.418 -5.904 7.692 302 HB2 SER 42 HB2 SER 42 8.561 -4.021 6.802 303 HB3 SER 42 HB1 SER 42 7.245 -3.490 7.854 304 HG SER 42 HG SER 42 7.792 -5.381 9.129 305 H MET 43 HN MET 43 6.545 -5.534 4.385 306 HA MET 43 HA MET 43 4.863 -3.367 4.114 307 HB2 MET 43 HB2 MET 43 4.094 -4.473 1.857 308 HB3 MET 43 HB1 MET 43 5.736 -3.896 2.043 309 HG2 MET 43 HG2 MET 43 5.560 -6.044 0.894 310 HG3 MET 43 HG1 MET 43 6.556 -6.096 2.339 311 HE1 MET 43 HE1 MET 43 2.435 -8.084 1.903 312 HE2 MET 43 HE2 MET 43 3.378 -7.433 0.574 313 HE3 MET 43 HE3 MET 43 2.619 -6.316 1.742 314 H VAL 44 HN VAL 44 4.141 -6.622 4.965 315 HA VAL 44 HA VAL 44 1.427 -6.646 4.566 316 HB VAL 44 HB VAL 44 2.999 -8.043 6.770 317 HG11 VAL 44 HG11 VAL 44 0.634 -7.952 7.380 318 HG12 VAL 44 HG12 VAL 44 1.108 -9.596 6.952 319 HG13 VAL 44 HG13 VAL 44 0.194 -8.615 5.807 320 HG21 VAL 44 HG21 VAL 44 3.682 -8.648 4.536 321 HG22 VAL 44 HG22 VAL 44 2.011 -9.014 4.099 322 HG23 VAL 44 HG23 VAL 44 2.846 -9.994 5.308 323 H GLU 45 HN GLU 45 3.417 -5.480 7.171 324 HA GLU 45 HA GLU 45 1.434 -4.878 9.071 325 HB2 GLU 45 HB2 GLU 45 4.195 -3.699 8.705 326 HB3 GLU 45 HB1 GLU 45 3.237 -3.658 10.189 327 HG2 GLU 45 HG2 GLU 45 3.289 -6.097 10.300 328 HG3 GLU 45 HG1 GLU 45 4.180 -6.145 8.803 329 H VAL 46 HN VAL 46 3.162 -2.855 6.673 330 HA VAL 46 HA VAL 46 1.725 -0.512 6.867 331 HB VAL 46 HB VAL 46 2.664 -1.885 4.318 332 HG11 VAL 46 HG11 VAL 46 2.611 0.351 3.276 333 HG12 VAL 46 HG12 VAL 46 1.903 1.022 4.742 334 HG13 VAL 46 HG13 VAL 46 1.000 -0.148 3.786 335 HG21 VAL 46 HG21 VAL 46 4.435 -1.459 5.918 336 HG22 VAL 46 HG22 VAL 46 3.941 0.229 6.040 337 HG23 VAL 46 HG23 VAL 46 4.591 -0.394 4.523 338 H VAL 47 HN VAL 47 0.843 -3.353 4.886 339 HA VAL 47 HA VAL 47 -1.607 -2.550 3.870 340 HB VAL 47 HB VAL 47 -0.936 -5.342 4.868 341 HG11 VAL 47 HG11 VAL 47 -3.325 -5.062 4.448 342 HG12 VAL 47 HG12 VAL 47 -2.596 -6.109 3.232 343 HG13 VAL 47 HG13 VAL 47 -2.979 -4.433 2.839 344 HG21 VAL 47 HG21 VAL 47 0.718 -4.541 3.287 345 HG22 VAL 47 HG22 VAL 47 -0.560 -4.103 2.150 346 HG23 VAL 47 HG23 VAL 47 -0.279 -5.797 2.556 347 H VAL 48 HN VAL 48 -1.159 -4.390 6.899 348 HA VAL 48 HA VAL 48 -3.790 -4.368 7.798 349 HB VAL 48 HB VAL 48 -1.297 -4.210 9.536 350 HG11 VAL 48 HG11 VAL 48 -3.312 -3.704 10.822 351 HG12 VAL 48 HG12 VAL 48 -2.660 -5.280 11.277 352 HG13 VAL 48 HG13 VAL 48 -4.073 -5.180 10.228 353 HG21 VAL 48 HG21 VAL 48 -2.832 -6.599 8.519 354 HG22 VAL 48 HG22 VAL 48 -1.468 -6.653 9.637 355 HG23 VAL 48 HG23 VAL 48 -1.233 -6.084 7.982 356 H ALA 49 HN ALA 49 -1.362 -1.850 8.229 357 HA ALA 49 HA ALA 49 -3.037 -0.236 9.903 358 HB1 ALA 49 HB1 ALA 49 -0.592 -0.085 10.045 359 HB2 ALA 49 HB2 ALA 49 -1.342 1.475 9.691 360 HB3 ALA 49 HB3 ALA 49 -0.547 0.569 8.401 361 H ALA 50 HN ALA 50 -2.394 -0.469 6.493 362 HA ALA 50 HA ALA 50 -3.815 1.877 5.738 363 HB1 ALA 50 HB1 ALA 50 -3.201 -0.631 4.161 364 HB2 ALA 50 HB2 ALA 50 -2.199 0.820 4.221 365 HB3 ALA 50 HB3 ALA 50 -3.796 0.879 3.473 366 H GLU 51 HN GLU 51 -4.622 -1.486 6.273 367 HA GLU 51 HA GLU 51 -7.282 -1.402 5.488 368 HB2 GLU 51 HB2 GLU 51 -5.991 -3.127 7.606 369 HB3 GLU 51 HB1 GLU 51 -7.608 -3.374 6.964 370 HG2 GLU 51 HG2 GLU 51 -6.666 -3.721 4.737 371 HG3 GLU 51 HG1 GLU 51 -5.044 -3.524 5.393 372 H GLU 52 HN GLU 52 -5.700 -0.374 8.337 373 HA GLU 52 HA GLU 52 -8.060 0.183 9.841 374 HB2 GLU 52 HB2 GLU 52 -5.853 -0.238 10.847 375 HB3 GLU 52 HB1 GLU 52 -5.242 1.230 10.110 376 HG2 GLU 52 HG2 GLU 52 -6.793 2.542 11.463 377 HG3 GLU 52 HG1 GLU 52 -7.388 1.054 12.205 378 H ARG 53 HN ARG 53 -5.708 2.028 8.027 379 HA ARG 53 HA ARG 53 -6.516 4.635 8.281 380 HB2 ARG 53 HB2 ARG 53 -4.417 3.884 7.289 381 HB3 ARG 53 HB1 ARG 53 -5.276 3.286 5.891 382 HG2 ARG 53 HG2 ARG 53 -4.221 5.340 5.315 383 HG3 ARG 53 HG1 ARG 53 -5.959 5.622 5.384 384 HD2 ARG 53 HD2 ARG 53 -5.739 6.658 7.553 385 HD3 ARG 53 HD1 ARG 53 -4.019 6.257 7.605 386 HE ARG 53 HE ARG 53 -5.015 7.963 5.437 387 HH11 ARG 53 HH11 ARG 53 -3.085 7.671 8.385 388 HH12 ARG 53 HH12 ARG 53 -2.290 9.151 8.181 389 HH21 ARG 53 HH21 ARG 53 -3.942 9.865 5.092 390 HH22 ARG 53 HH22 ARG 53 -2.697 10.441 6.123 391 H PHE 54 HN PHE 54 -7.508 2.435 5.597 392 HA PHE 54 HA PHE 54 -9.490 4.483 4.728 393 HB2 PHE 54 HB2 PHE 54 -8.896 1.950 3.232 394 HB3 PHE 54 HB1 PHE 54 -9.492 3.480 2.615 395 HD1 PHE 54 HD1 PHE 54 -7.742 5.492 3.022 396 HD2 PHE 54 HD2 PHE 54 -6.815 1.356 2.703 397 HE1 PHE 54 HE1 PHE 54 -5.446 6.071 2.353 398 HE2 PHE 54 HE2 PHE 54 -4.499 1.934 2.038 399 HZ PHE 54 HZ PHE 54 -3.822 4.288 1.871 400 H ASP 55 HN ASP 55 -9.254 1.708 6.484 401 HA ASP 55 HA ASP 55 -10.353 -0.111 6.933 402 HB2 ASP 55 HB2 ASP 55 -12.182 1.267 7.832 403 HB3 ASP 55 HB1 ASP 55 -12.901 1.391 6.223 404 H VAL 56 HN VAL 56 -9.220 -0.956 5.357 405 HA VAL 56 HA VAL 56 -10.893 -1.869 3.166 406 HB VAL 56 HB VAL 56 -8.909 -0.410 2.443 407 HG11 VAL 56 HG11 VAL 56 -7.178 -1.090 3.918 408 HG12 VAL 56 HG12 VAL 56 -6.706 -1.465 2.250 409 HG13 VAL 56 HG13 VAL 56 -7.262 -2.747 3.306 410 HG21 VAL 56 HG21 VAL 56 -8.238 -1.806 0.552 411 HG22 VAL 56 HG22 VAL 56 -9.979 -1.842 0.836 412 HG23 VAL 56 HG23 VAL 56 -8.974 -3.200 1.340 413 H LYS 57 HN LYS 57 -9.923 -4.008 2.411 414 HA LYS 57 HA LYS 57 -9.014 -5.648 4.648 415 HB2 LYS 57 HB2 LYS 57 -11.614 -6.151 3.181 416 HB3 LYS 57 HB1 LYS 57 -10.731 -7.469 3.914 417 HG2 LYS 57 HG2 LYS 57 -12.373 -6.951 5.482 418 HG3 LYS 57 HG1 LYS 57 -10.946 -6.143 6.105 419 HD2 LYS 57 HD2 LYS 57 -11.788 -3.996 5.252 420 HD3 LYS 57 HD1 LYS 57 -13.196 -4.814 4.562 421 HE2 LYS 57 HE2 LYS 57 -13.778 -5.616 6.855 422 HE3 LYS 57 HE1 LYS 57 -12.451 -4.650 7.485 423 HZ1 LYS 57 HZ1 LYS 57 -14.837 -3.572 6.056 424 HZ2 LYS 57 HZ2 LYS 57 -13.640 -2.618 6.814 425 HZ3 LYS 57 HZ3 LYS 57 -14.633 -3.618 7.704 426 H ILE 58 HN ILE 58 -7.165 -6.269 3.817 427 HA ILE 58 HA ILE 58 -7.208 -7.734 1.276 428 HB ILE 58 HB ILE 58 -4.962 -5.777 1.872 429 HG12 ILE 58 HG12 ILE 58 -7.261 -5.303 -0.048 430 HG13 ILE 58 HG11 ILE 58 -7.121 -4.522 1.523 431 HG21 ILE 58 HG21 ILE 58 -4.488 -7.662 0.359 432 HG22 ILE 58 HG22 ILE 58 -4.470 -6.117 -0.508 433 HG23 ILE 58 HG23 ILE 58 -5.874 -7.176 -0.628 434 HD11 ILE 58 HD11 ILE 58 -5.050 -3.458 0.803 435 HD12 ILE 58 HD12 ILE 58 -6.394 -3.055 -0.265 436 HD13 ILE 58 HD13 ILE 58 -5.190 -4.246 -0.770 437 HA PRO 59 HA PRO 59 -4.924 -10.172 4.408 438 HB2 PRO 59 HB2 PRO 59 -5.183 -12.538 3.033 439 HB3 PRO 59 HB1 PRO 59 -6.391 -11.925 4.165 440 HG2 PRO 59 HG2 PRO 59 -6.344 -11.804 1.186 441 HG3 PRO 59 HG1 PRO 59 -7.711 -12.089 2.275 442 HD2 PRO 59 HD2 PRO 59 -7.250 -9.705 1.078 443 HD3 PRO 59 HD1 PRO 59 -8.019 -9.843 2.671 444 H ASP 60 HN ASP 60 -2.959 -11.472 4.249 445 HA ASP 60 HA ASP 60 -1.012 -10.264 2.629 446 HB2 ASP 60 HB2 ASP 60 0.564 -11.866 3.399 447 HB3 ASP 60 HB1 ASP 60 -0.404 -11.299 4.764 448 H ASP 61 HN ASP 61 -2.816 -13.190 2.077 449 HA ASP 61 HA ASP 61 -1.112 -14.059 -0.064 450 HB2 ASP 61 HB2 ASP 61 -2.813 -15.722 -0.556 451 HB3 ASP 61 HB1 ASP 61 -2.526 -15.658 1.180 452 H ASP 62 HN ASP 62 -3.603 -11.804 0.258 453 HA ASP 62 HA ASP 62 -4.413 -11.858 -2.533 454 HB2 ASP 62 HB2 ASP 62 -5.886 -11.261 -0.427 455 HB3 ASP 62 HB1 ASP 62 -5.072 -9.701 -0.580 456 H VAL 63 HN VAL 63 -2.806 -9.743 -0.214 457 HA VAL 63 HA VAL 63 -2.242 -7.595 -1.864 458 HB VAL 63 HB VAL 63 -2.122 -7.549 0.622 459 HG11 VAL 63 HG11 VAL 63 -0.082 -8.187 1.775 460 HG12 VAL 63 HG12 VAL 63 0.537 -8.882 0.277 461 HG13 VAL 63 HG13 VAL 63 -0.897 -9.569 1.041 462 HG21 VAL 63 HG21 VAL 63 -0.220 -6.017 0.804 463 HG22 VAL 63 HG22 VAL 63 -1.237 -5.708 -0.604 464 HG23 VAL 63 HG23 VAL 63 0.316 -6.529 -0.798 465 H LYS 64 HN LYS 64 -0.698 -10.624 -1.743 466 HA LYS 64 HA LYS 64 1.841 -10.142 -2.620 467 HB2 LYS 64 HB2 LYS 64 0.017 -12.444 -3.249 468 HB3 LYS 64 HB1 LYS 64 1.703 -12.413 -3.736 469 HG2 LYS 64 HG2 LYS 64 2.369 -12.241 -1.405 470 HG3 LYS 64 HG1 LYS 64 0.671 -12.253 -0.926 471 HD2 LYS 64 HD2 LYS 64 0.383 -14.470 -1.816 472 HD3 LYS 64 HD1 LYS 64 2.024 -14.460 -2.466 473 HE2 LYS 64 HE2 LYS 64 1.277 -14.310 0.451 474 HE3 LYS 64 HE1 LYS 64 1.878 -15.744 -0.388 475 HZ1 LYS 64 HZ1 LYS 64 3.923 -14.475 -0.891 476 HZ2 LYS 64 HZ2 LYS 64 3.679 -14.693 0.765 477 HZ3 LYS 64 HZ3 LYS 64 3.354 -13.199 0.065 478 H ASN 65 HN ASN 65 -1.078 -9.558 -4.350 479 HA ASN 65 HA ASN 65 0.108 -9.942 -6.976 480 HB2 ASN 65 HB2 ASN 65 -2.719 -9.270 -6.149 481 HB3 ASN 65 HB1 ASN 65 -2.177 -9.362 -7.816 482 HD21 ASN 65 HD21 ASN 65 -3.067 -11.117 -4.999 483 HD22 ASN 65 HD22 ASN 65 -3.043 -12.698 -5.701 484 H LEU 66 HN LEU 66 0.263 -7.576 -4.780 485 HA LEU 66 HA LEU 66 -0.388 -5.395 -6.534 486 HB2 LEU 66 HB2 LEU 66 0.810 -5.430 -3.781 487 HB3 LEU 66 HB1 LEU 66 0.387 -3.965 -4.636 488 HG LEU 66 HG LEU 66 -1.477 -6.120 -3.661 489 HD11 LEU 66 HD11 LEU 66 -0.731 -4.536 -1.999 490 HD12 LEU 66 HD12 LEU 66 -2.453 -4.380 -2.352 491 HD13 LEU 66 HD13 LEU 66 -1.308 -3.198 -2.998 492 HD21 LEU 66 HD21 LEU 66 -2.138 -3.699 -5.302 493 HD22 LEU 66 HD22 LEU 66 -3.269 -4.862 -4.579 494 HD23 LEU 66 HD23 LEU 66 -2.166 -5.382 -5.846 495 H LYS 67 HN LYS 67 1.195 -3.622 -6.805 496 HA LYS 67 HA LYS 67 3.918 -4.442 -6.884 497 HB2 LYS 67 HB2 LYS 67 4.288 -4.003 -9.309 498 HB3 LYS 67 HB1 LYS 67 3.244 -5.380 -9.038 499 HG2 LYS 67 HG2 LYS 67 2.277 -2.632 -9.831 500 HG3 LYS 67 HG1 LYS 67 2.650 -3.909 -10.974 501 HD2 LYS 67 HD2 LYS 67 0.639 -4.283 -8.773 502 HD3 LYS 67 HD1 LYS 67 0.195 -3.496 -10.279 503 HE2 LYS 67 HE2 LYS 67 -0.442 -5.821 -10.427 504 HE3 LYS 67 HE1 LYS 67 0.946 -5.591 -11.477 505 HZ1 LYS 67 HZ1 LYS 67 2.356 -6.693 -9.792 506 HZ2 LYS 67 HZ2 LYS 67 1.029 -7.635 -10.190 507 HZ3 LYS 67 HZ3 LYS 67 1.009 -6.815 -8.756 508 H THR 68 HN THR 68 2.061 -1.861 -8.557 509 HA THR 68 HA THR 68 3.752 0.076 -7.210 510 HB THR 68 HB THR 68 2.685 1.637 -8.874 511 HG1 THR 68 HG1 THR 68 1.472 0.687 -10.560 512 HG21 THR 68 HG21 THR 68 3.907 0.789 -10.847 513 HG22 THR 68 HG22 THR 68 4.048 -0.792 -10.077 514 HG23 THR 68 HG23 THR 68 4.870 0.604 -9.382 515 H VAL 69 HN VAL 69 2.308 2.195 -6.749 516 HA VAL 69 HA VAL 69 0.095 1.182 -5.237 517 HB VAL 69 HB VAL 69 -0.222 3.261 -4.178 518 HG11 VAL 69 HG11 VAL 69 2.702 2.828 -4.499 519 HG12 VAL 69 HG12 VAL 69 1.591 2.076 -3.342 520 HG13 VAL 69 HG13 VAL 69 1.926 3.808 -3.246 521 HG21 VAL 69 HG21 VAL 69 -0.134 4.743 -6.033 522 HG22 VAL 69 HG22 VAL 69 1.609 4.516 -6.177 523 HG23 VAL 69 HG23 VAL 69 0.933 5.315 -4.755 524 H GLY 70 HN GLY 70 0.548 2.225 -8.321 525 HA2 GLY 70 HA2 GLY 70 -1.889 3.535 -8.854 526 HA3 GLY 70 HA1 GLY 70 -0.923 2.632 -10.024 527 H ASP 71 HN ASP 71 -0.870 0.171 -9.056 528 HA ASP 71 HA ASP 71 -3.423 -0.874 -9.675 529 HB2 ASP 71 HB2 ASP 71 -1.246 -2.134 -9.985 530 HB3 ASP 71 HB1 ASP 71 -1.193 -2.297 -8.227 531 H ALA 72 HN ALA 72 -1.590 -0.493 -6.688 532 HA ALA 72 HA ALA 72 -3.359 -1.683 -4.915 533 HB1 ALA 72 HB1 ALA 72 -1.508 0.627 -4.318 534 HB2 ALA 72 HB2 ALA 72 -1.047 -1.074 -4.325 535 HB3 ALA 72 HB3 ALA 72 -2.197 -0.480 -3.134 536 H THR 73 HN THR 73 -3.429 1.583 -6.234 537 HA THR 73 HA THR 73 -5.197 2.705 -4.450 538 HB THR 73 HB THR 73 -4.886 3.283 -7.417 539 HG1 THR 73 HG1 THR 73 -3.032 3.643 -6.063 540 HG21 THR 73 HG21 THR 73 -6.216 4.944 -5.269 541 HG22 THR 73 HG22 THR 73 -7.041 4.142 -6.604 542 HG23 THR 73 HG23 THR 73 -5.911 5.463 -6.927 543 H LYS 74 HN LYS 74 -6.075 1.345 -7.692 544 HA LYS 74 HA LYS 74 -8.871 1.389 -7.176 545 HB2 LYS 74 HB2 LYS 74 -7.289 -0.157 -9.221 546 HB3 LYS 74 HB1 LYS 74 -9.022 -0.362 -9.050 547 HG2 LYS 74 HG2 LYS 74 -8.807 1.114 -10.778 548 HG3 LYS 74 HG1 LYS 74 -9.166 2.141 -9.390 549 HD2 LYS 74 HD2 LYS 74 -7.433 3.193 -10.715 550 HD3 LYS 74 HD1 LYS 74 -6.724 2.625 -9.202 551 HE2 LYS 74 HE2 LYS 74 -5.747 0.737 -10.278 552 HE3 LYS 74 HE1 LYS 74 -6.651 1.041 -11.761 553 HZ1 LYS 74 HZ1 LYS 74 -4.584 2.888 -10.667 554 HZ2 LYS 74 HZ2 LYS 74 -5.365 3.007 -12.149 555 HZ3 LYS 74 HZ3 LYS 74 -4.305 1.726 -11.851 556 H TYR 75 HN TYR 75 -6.426 -0.835 -6.476 557 HA TYR 75 HA TYR 75 -7.896 -3.166 -6.120 558 HB2 TYR 75 HB2 TYR 75 -5.406 -2.736 -6.367 559 HB3 TYR 75 HB1 TYR 75 -5.414 -2.341 -4.662 560 HD1 TYR 75 HD1 TYR 75 -5.659 -4.991 -7.143 561 HD2 TYR 75 HD2 TYR 75 -5.694 -4.012 -3.019 562 HE1 TYR 75 HE1 TYR 75 -5.430 -7.340 -6.612 563 HE2 TYR 75 HE2 TYR 75 -5.465 -6.345 -2.430 564 HH TYR 75 HH TYR 75 -4.633 -8.709 -4.714 565 H ILE 76 HN ILE 76 -6.671 -0.696 -3.861 566 HA ILE 76 HA ILE 76 -7.964 -1.688 -1.536 567 HB ILE 76 HB ILE 76 -6.736 1.007 -2.185 568 HG12 ILE 76 HG12 ILE 76 -5.757 -1.270 -0.441 569 HG13 ILE 76 HG11 ILE 76 -5.188 -0.908 -2.065 570 HG21 ILE 76 HG21 ILE 76 -7.765 0.039 0.479 571 HG22 ILE 76 HG22 ILE 76 -8.462 1.324 -0.502 572 HG23 ILE 76 HG23 ILE 76 -6.858 1.528 0.206 573 HD11 ILE 76 HD11 ILE 76 -3.633 -0.129 -0.367 574 HD12 ILE 76 HD12 ILE 76 -4.898 0.873 0.344 575 HD13 ILE 76 HD13 ILE 76 -4.302 1.222 -1.280 576 H LEU 77 HN LEU 77 -8.773 0.770 -3.934 577 HA LEU 77 HA LEU 77 -11.065 1.722 -2.693 578 HB2 LEU 77 HB2 LEU 77 -10.376 1.555 -5.622 579 HB3 LEU 77 HB1 LEU 77 -11.822 2.351 -5.032 580 HG LEU 77 HG LEU 77 -8.994 3.144 -4.336 581 HD11 LEU 77 HD11 LEU 77 -10.996 4.467 -6.164 582 HD12 LEU 77 HD12 LEU 77 -9.522 3.641 -6.663 583 HD13 LEU 77 HD13 LEU 77 -9.423 5.119 -5.707 584 HD21 LEU 77 HD21 LEU 77 -11.635 4.437 -3.695 585 HD22 LEU 77 HD22 LEU 77 -10.041 5.104 -3.337 586 HD23 LEU 77 HD23 LEU 77 -10.569 3.614 -2.556 587 H ASP 78 HN ASP 78 -10.584 -1.156 -4.570 588 HA ASP 78 HA ASP 78 -13.404 -1.748 -4.611 589 HB2 ASP 78 HB2 ASP 78 -12.053 -2.484 -6.483 590 HB3 ASP 78 HB1 ASP 78 -11.053 -3.460 -5.409 591 H HIS 79 HN HIS 79 -10.567 -3.010 -2.905 592 HA HIS 79 HA HIS 79 -12.062 -4.982 -1.473 593 HB2 HIS 79 HB2 HIS 79 -9.264 -3.984 -1.152 594 HB3 HIS 79 HB1 HIS 79 -9.984 -5.047 0.042 595 HD1 HIS 79 HD1 HIS 79 -11.366 -7.121 -1.735 596 HD2 HIS 79 HD2 HIS 79 -7.590 -5.586 -2.492 597 HE1 HIS 79 HE1 HIS 79 -10.183 -8.873 -3.054 598 HE2 HIS 79 HE2 HIS 79 -7.819 -8.095 -2.968 599 H GLN 80 HN GLN 80 -12.016 -1.687 -1.020 600 HA GLN 80 HA GLN 80 -12.303 -1.872 1.850 601 HB2 GLN 80 HB2 GLN 80 -12.406 0.542 1.877 602 HB3 GLN 80 HB1 GLN 80 -11.108 0.014 0.827 603 HG2 GLN 80 HG2 GLN 80 -12.536 0.447 -1.137 604 HG3 GLN 80 HG1 GLN 80 -13.801 1.036 -0.063 605 HE21 GLN 80 HE21 GLN 80 -10.369 1.640 0.375 606 HE22 GLN 80 HE22 GLN 80 -10.448 3.336 0.064 607 H ALA 81 HN ALA 81 -14.189 -1.158 2.932 608 HA ALA 81 HA ALA 81 -16.294 -1.588 3.475 609 HB1 ALA 81 HB1 ALA 81 -18.062 -0.691 2.033 610 HB2 ALA 81 HB2 ALA 81 -16.921 -0.560 0.696 611 HB3 ALA 81 HB3 ALA 81 -16.716 0.445 2.133 612 H2 SOO 101 H2A SOO 101 4.617 -5.622 -0.678 613 H3 SOO 101 H3A SOO 101 1.968 -5.235 -2.225 614 H4 SOO 101 H4A SOO 101 2.503 -4.459 0.551 615 H4A SOO 101 H4B SOO 101 3.281 -3.258 -0.491 616 H5 SOO 101 H5A SOO 101 0.409 -4.125 -0.694 617 H5A SOO 101 H5B SOO 101 1.193 -2.877 -1.651 618 H6 SOO 101 H6A SOO 101 1.503 -1.505 0.321 619 H6A SOO 101 H6B SOO 101 0.763 -2.759 1.326 620 H7 SOO 101 H7A SOO 101 -1.320 -2.553 0.046 621 H7A SOO 101 H7B SOO 101 -0.570 -1.323 -0.983 622 H8 SOO 101 H8C SOO 101 -0.278 0.109 0.955 623 H8A SOO 101 H8A SOO 101 -1.040 -1.111 1.986 624 H8B SOO 101 H8B SOO 101 -1.964 -0.318 0.697 625 H28 SOO 101 H28A SOO 101 11.326 -11.383 2.263 626 H28A SOO 101 H28B SOO 101 9.993 -10.229 2.262 627 H30 SOO 101 H30A SOO 101 8.232 -10.366 0.536 628 H30A SOO 101 H30B SOO 101 8.283 -11.629 -0.695 629 H30B SOO 101 H30C SOO 101 9.462 -10.319 -0.726 630 H31 SOO 101 H31A SOO 101 11.415 -13.191 0.540 631 H31A SOO 101 H31B SOO 101 11.302 -11.981 -0.739 632 H31B SOO 101 H31C SOO 101 10.149 -13.311 -0.683 633 H32 SOO 101 H32A SOO 101 8.375 -13.424 1.107 634 HO33 SOO 101 H33A SOO 101 9.719 -13.308 3.394 635 HN36 SOO 101 H36A SOO 101 6.623 -11.787 1.374 636 H37 SOO 101 H37A SOO 101 6.051 -11.198 4.155 637 H37A SOO 101 H37B SOO 101 6.091 -9.848 3.047 638 H38 SOO 101 H38A SOO 101 4.266 -12.280 2.874 639 H38A SOO 101 H38B SOO 101 3.854 -10.600 3.305 640 HN41 SOO 101 H41A SOO 101 5.442 -9.496 1.333 641 H42 SOO 101 H42A SOO 101 5.009 -10.237 -1.313 642 H42A SOO 101 H42B SOO 101 3.673 -9.179 -0.835 643 H43 SOO 101 H43A SOO 101 6.615 -8.505 -0.594 644 H43A SOO 101 H43B SOO 101 5.220 -7.474 -0.181 Start of MODEL 9 1 H1 ALA 1 HT1 ALA 1 -14.160 3.963 3.512 2 H2 ALA 1 HT2 ALA 1 -12.932 2.986 2.940 3 H3 ALA 1 HT3 ALA 1 -14.581 2.604 2.597 4 HA ALA 1 HA ALA 1 -13.539 3.521 0.668 5 HB1 ALA 1 HB1 ALA 1 -15.433 5.459 1.974 6 HB2 ALA 1 HB2 ALA 1 -15.892 3.999 1.101 7 HB3 ALA 1 HB3 ALA 1 -15.098 5.324 0.248 8 H ALA 2 HN ALA 2 -12.178 4.916 -0.274 9 HA ALA 2 HA ALA 2 -11.355 7.386 0.920 10 HB1 ALA 2 HB1 ALA 2 -9.400 5.097 0.600 11 HB2 ALA 2 HB2 ALA 2 -9.907 5.816 2.129 12 HB3 ALA 2 HB3 ALA 2 -8.967 6.764 0.978 13 H THR 3 HN THR 3 -10.291 8.645 -0.696 14 HA THR 3 HA THR 3 -10.799 7.788 -3.389 15 HB THR 3 HB THR 3 -9.778 10.015 -3.967 16 HG1 THR 3 HG1 THR 3 -9.838 10.494 -1.177 17 HG21 THR 3 HG21 THR 3 -11.942 10.070 -1.863 18 HG22 THR 3 HG22 THR 3 -12.203 9.806 -3.589 19 HG23 THR 3 HG23 THR 3 -11.599 11.364 -3.010 20 H GLN 4 HN GLN 4 -8.868 8.484 -5.011 21 HA GLN 4 HA GLN 4 -6.789 6.681 -4.688 22 HB2 GLN 4 HB2 GLN 4 -7.337 7.238 -6.890 23 HB3 GLN 4 HB1 GLN 4 -7.420 8.946 -6.546 24 HG2 GLN 4 HG2 GLN 4 -4.784 7.567 -6.424 25 HG3 GLN 4 HG1 GLN 4 -5.479 7.958 -8.008 26 HE21 GLN 4 HE21 GLN 4 -3.078 9.001 -6.757 27 HE22 GLN 4 HE22 GLN 4 -3.294 10.710 -6.611 28 H GLU 5 HN GLU 5 -7.056 10.112 -4.091 29 HA GLU 5 HA GLU 5 -4.343 10.570 -3.509 30 HB2 GLU 5 HB2 GLU 5 -6.122 12.309 -4.002 31 HB3 GLU 5 HB1 GLU 5 -6.682 12.086 -2.353 32 HG2 GLU 5 HG2 GLU 5 -5.275 14.013 -2.440 33 HG3 GLU 5 HG1 GLU 5 -4.438 12.742 -1.547 34 H GLU 6 HN GLU 6 -7.105 9.645 -1.480 35 HA GLU 6 HA GLU 6 -5.736 9.842 0.971 36 HB2 GLU 6 HB2 GLU 6 -8.197 8.320 0.166 37 HB3 GLU 6 HB1 GLU 6 -7.595 8.392 1.818 38 HG2 GLU 6 HG2 GLU 6 -7.961 10.721 1.943 39 HG3 GLU 6 HG1 GLU 6 -8.261 10.830 0.209 40 H ILE 7 HN ILE 7 -6.176 7.262 -1.354 41 HA ILE 7 HA ILE 7 -4.925 5.236 0.156 42 HB ILE 7 HB ILE 7 -5.252 5.577 -2.844 43 HG12 ILE 7 HG12 ILE 7 -6.673 3.811 -0.838 44 HG13 ILE 7 HG11 ILE 7 -7.310 5.311 -1.502 45 HG21 ILE 7 HG21 ILE 7 -3.307 4.139 -2.417 46 HG22 ILE 7 HG22 ILE 7 -4.653 3.200 -3.061 47 HG23 ILE 7 HG23 ILE 7 -4.280 3.135 -1.339 48 HD11 ILE 7 HD11 ILE 7 -7.346 4.311 -3.720 49 HD12 ILE 7 HD12 ILE 7 -8.285 3.360 -2.568 50 HD13 ILE 7 HD13 ILE 7 -6.681 2.819 -3.059 51 H VAL 8 HN VAL 8 -3.641 7.138 -2.528 52 HA VAL 8 HA VAL 8 -0.985 6.356 -2.383 53 HB VAL 8 HB VAL 8 -2.260 8.920 -3.373 54 HG11 VAL 8 HG11 VAL 8 0.136 9.297 -3.000 55 HG12 VAL 8 HG12 VAL 8 -0.259 9.256 -4.719 56 HG13 VAL 8 HG13 VAL 8 0.507 7.860 -3.957 57 HG21 VAL 8 HG21 VAL 8 -3.074 6.939 -4.450 58 HG22 VAL 8 HG22 VAL 8 -1.440 6.359 -4.717 59 HG23 VAL 8 HG23 VAL 8 -2.007 7.795 -5.568 60 H ALA 9 HN ALA 9 -2.384 9.349 -0.992 61 HA ALA 9 HA ALA 9 0.028 10.098 0.313 62 HB1 ALA 9 HB1 ALA 9 -1.313 11.808 1.409 63 HB2 ALA 9 HB2 ALA 9 -2.787 11.002 0.852 64 HB3 ALA 9 HB3 ALA 9 -1.681 11.717 -0.316 65 H GLY 10 HN GLY 10 -2.778 8.221 1.301 66 HA2 GLY 10 HA2 GLY 10 -2.277 8.258 4.079 67 HA3 GLY 10 HA1 GLY 10 -3.253 7.078 3.213 68 H LEU 11 HN LEU 11 -1.572 5.866 1.576 69 HA LEU 11 HA LEU 11 -0.292 3.896 2.916 70 HB2 LEU 11 HB2 LEU 11 -0.425 4.927 0.261 71 HB3 LEU 11 HB1 LEU 11 1.177 4.297 0.558 72 HG LEU 11 HG LEU 11 -1.407 2.765 0.977 73 HD11 LEU 11 HD11 LEU 11 -0.802 1.562 -1.055 74 HD12 LEU 11 HD12 LEU 11 0.585 2.628 -1.277 75 HD13 LEU 11 HD13 LEU 11 -1.052 3.277 -1.377 76 HD21 LEU 11 HD21 LEU 11 0.065 0.821 1.141 77 HD22 LEU 11 HD22 LEU 11 0.435 2.012 2.391 78 HD23 LEU 11 HD23 LEU 11 1.474 1.871 0.975 79 H ALA 12 HN ALA 12 1.175 6.789 1.577 80 HA ALA 12 HA ALA 12 3.811 6.161 2.099 81 HB1 ALA 12 HB1 ALA 12 2.634 8.908 1.979 82 HB2 ALA 12 HB2 ALA 12 3.104 7.898 0.594 83 HB3 ALA 12 HB3 ALA 12 4.324 8.435 1.756 84 H GLU 13 HN GLU 13 1.470 7.581 4.304 85 HA GLU 13 HA GLU 13 3.473 8.405 6.163 86 HB2 GLU 13 HB2 GLU 13 0.520 7.969 6.598 87 HB3 GLU 13 HB1 GLU 13 1.611 8.732 7.747 88 HG2 GLU 13 HG2 GLU 13 2.090 10.476 6.066 89 HG3 GLU 13 HG1 GLU 13 0.886 9.738 5.014 90 H ILE 14 HN ILE 14 1.437 5.571 5.850 91 HA ILE 14 HA ILE 14 2.432 4.371 8.251 92 HB ILE 14 HB ILE 14 0.895 3.140 5.926 93 HG12 ILE 14 HG12 ILE 14 -0.887 2.826 7.711 94 HG13 ILE 14 HG11 ILE 14 0.086 3.845 8.754 95 HG21 ILE 14 HG21 ILE 14 0.631 1.127 7.287 96 HG22 ILE 14 HG22 ILE 14 1.732 1.806 8.486 97 HG23 ILE 14 HG23 ILE 14 2.314 1.432 6.865 98 HD11 ILE 14 HD11 ILE 14 -1.166 4.651 6.145 99 HD12 ILE 14 HD12 ILE 14 -0.200 5.694 7.189 100 HD13 ILE 14 HD13 ILE 14 -1.748 5.066 7.758 101 H VAL 15 HN VAL 15 3.167 4.172 4.842 102 HA VAL 15 HA VAL 15 5.171 2.249 4.919 103 HB VAL 15 HB VAL 15 4.821 4.643 3.077 104 HG11 VAL 15 HG11 VAL 15 6.455 3.578 1.593 105 HG12 VAL 15 HG12 VAL 15 6.775 2.356 2.833 106 HG13 VAL 15 HG13 VAL 15 7.168 4.052 3.134 107 HG21 VAL 15 HG21 VAL 15 4.120 2.948 1.458 108 HG22 VAL 15 HG22 VAL 15 3.107 2.921 2.902 109 HG23 VAL 15 HG23 VAL 15 4.351 1.690 2.674 110 H ASN 16 HN ASN 16 5.201 5.650 5.615 111 HA ASN 16 HA ASN 16 7.974 6.019 5.803 112 HB2 ASN 16 HB2 ASN 16 6.242 7.791 5.558 113 HB3 ASN 16 HB1 ASN 16 5.839 7.548 7.254 114 HD21 ASN 16 HD21 ASN 16 8.221 8.549 5.026 115 HD22 ASN 16 HD22 ASN 16 9.146 9.531 6.108 116 H GLU 17 HN GLU 17 5.532 5.295 8.276 117 HA GLU 17 HA GLU 17 7.467 5.438 10.362 118 HB2 GLU 17 HB2 GLU 17 5.674 4.732 11.870 119 HB3 GLU 17 HB1 GLU 17 5.162 6.044 10.820 120 HG2 GLU 17 HG2 GLU 17 3.948 4.441 9.418 121 HG3 GLU 17 HG1 GLU 17 4.531 3.147 10.465 122 H ILE 18 HN ILE 18 6.373 2.848 8.337 123 HA ILE 18 HA ILE 18 7.667 0.886 10.135 124 HB ILE 18 HB ILE 18 5.816 0.362 7.793 125 HG12 ILE 18 HG12 ILE 18 5.386 0.301 10.802 126 HG13 ILE 18 HG11 ILE 18 4.703 1.422 9.631 127 HG21 ILE 18 HG21 ILE 18 7.424 -1.471 8.152 128 HG22 ILE 18 HG22 ILE 18 5.795 -1.958 8.625 129 HG23 ILE 18 HG23 ILE 18 6.981 -1.529 9.859 130 HD11 ILE 18 HD11 ILE 18 3.085 -0.219 10.377 131 HD12 ILE 18 HD12 ILE 18 4.108 -1.508 9.741 132 HD13 ILE 18 HD13 ILE 18 3.395 -0.324 8.645 133 H ALA 19 HN ALA 19 7.606 1.690 6.644 134 HA ALA 19 HA ALA 19 9.921 -0.036 6.235 135 HB1 ALA 19 HB1 ALA 19 8.055 -0.145 4.656 136 HB2 ALA 19 HB2 ALA 19 9.558 0.336 3.870 137 HB3 ALA 19 HB3 ALA 19 8.325 1.546 4.233 138 H GLY 20 HN GLY 20 9.136 3.327 6.362 139 HA2 GLY 20 HA2 GLY 20 10.655 5.060 6.756 140 HA3 GLY 20 HA1 GLY 20 11.969 3.948 6.408 141 H ILE 21 HN ILE 21 9.157 4.993 4.525 142 HA ILE 21 HA ILE 21 10.998 6.012 2.473 143 HB ILE 21 HB ILE 21 8.271 4.714 2.097 144 HG12 ILE 21 HG12 ILE 21 10.002 3.079 2.558 145 HG13 ILE 21 HG11 ILE 21 9.446 2.929 0.894 146 HG21 ILE 21 HG21 ILE 21 8.617 4.913 -0.315 147 HG22 ILE 21 HG22 ILE 21 10.096 5.831 -0.021 148 HG23 ILE 21 HG23 ILE 21 8.539 6.488 0.477 149 HD11 ILE 21 HD11 ILE 21 11.854 2.665 1.029 150 HD12 ILE 21 HD12 ILE 21 12.000 4.235 1.820 151 HD13 ILE 21 HD13 ILE 21 11.455 4.137 0.145 152 HA PRO 22 HA PRO 22 9.343 10.033 3.416 153 HB2 PRO 22 HB2 PRO 22 9.374 10.300 0.441 154 HB3 PRO 22 HB1 PRO 22 9.978 11.411 1.678 155 HG2 PRO 22 HG2 PRO 22 11.654 9.858 0.319 156 HG3 PRO 22 HG1 PRO 22 11.895 10.176 2.045 157 HD2 PRO 22 HD2 PRO 22 10.946 7.717 0.684 158 HD3 PRO 22 HD1 PRO 22 11.849 7.895 2.201 159 H VAL 23 HN VAL 23 7.432 11.032 3.551 160 HA VAL 23 HA VAL 23 5.044 9.604 2.830 161 HB VAL 23 HB VAL 23 3.835 11.457 3.968 162 HG11 VAL 23 HG11 VAL 23 6.213 10.394 5.473 163 HG12 VAL 23 HG12 VAL 23 4.666 9.572 5.260 164 HG13 VAL 23 HG13 VAL 23 4.751 11.067 6.191 165 HG21 VAL 23 HG21 VAL 23 6.600 12.581 4.261 166 HG22 VAL 23 HG22 VAL 23 5.152 13.238 5.049 167 HG23 VAL 23 HG23 VAL 23 5.311 13.260 3.281 168 H GLU 24 HN GLU 24 6.747 11.078 0.796 169 HA GLU 24 HA GLU 24 4.529 12.191 -0.767 170 HB2 GLU 24 HB2 GLU 24 6.109 13.949 -1.579 171 HB3 GLU 24 HB1 GLU 24 5.671 14.122 0.118 172 HG2 GLU 24 HG2 GLU 24 7.766 13.317 0.846 173 HG3 GLU 24 HG1 GLU 24 8.182 12.727 -0.759 174 H ASP 25 HN ASP 25 6.488 9.756 -0.521 175 HA ASP 25 HA ASP 25 7.651 10.016 -3.200 176 HB2 ASP 25 HB2 ASP 25 9.230 9.877 -1.397 177 HB3 ASP 25 HB1 ASP 25 8.554 8.355 -0.852 178 H VAL 26 HN VAL 26 5.305 8.334 -1.411 179 HA VAL 26 HA VAL 26 5.397 5.962 -3.054 180 HB VAL 26 HB VAL 26 3.583 6.747 -0.728 181 HG11 VAL 26 HG11 VAL 26 3.976 4.066 -2.041 182 HG12 VAL 26 HG12 VAL 26 2.547 5.088 -2.174 183 HG13 VAL 26 HG13 VAL 26 2.986 4.381 -0.617 184 HG21 VAL 26 HG21 VAL 26 4.918 5.197 0.626 185 HG22 VAL 26 HG22 VAL 26 5.886 6.537 0.014 186 HG23 VAL 26 HG23 VAL 26 6.002 4.950 -0.742 187 H LYS 27 HN LYS 27 4.924 7.122 -4.930 188 HA LYS 27 HA LYS 27 2.234 8.241 -5.067 189 HB2 LYS 27 HB2 LYS 27 4.742 9.046 -6.530 190 HB3 LYS 27 HB1 LYS 27 3.126 9.560 -7.004 191 HG2 LYS 27 HG2 LYS 27 2.776 10.642 -4.887 192 HG3 LYS 27 HG1 LYS 27 4.338 10.063 -4.308 193 HD2 LYS 27 HD2 LYS 27 5.498 11.420 -5.921 194 HD3 LYS 27 HD1 LYS 27 3.972 11.894 -6.677 195 HE2 LYS 27 HE2 LYS 27 3.302 13.095 -4.721 196 HE3 LYS 27 HE1 LYS 27 4.667 12.463 -3.804 197 HZ1 LYS 27 HZ1 LYS 27 4.829 14.336 -6.109 198 HZ2 LYS 27 HZ2 LYS 27 6.159 13.723 -5.234 199 HZ3 LYS 27 HZ3 LYS 27 5.044 14.717 -4.481 200 H LEU 28 HN LEU 28 1.375 8.252 -7.446 201 HA LEU 28 HA LEU 28 0.433 5.722 -7.801 202 HB2 LEU 28 HB2 LEU 28 0.426 8.035 -9.685 203 HB3 LEU 28 HB1 LEU 28 -0.330 6.514 -10.109 204 HG LEU 28 HG LEU 28 -1.077 8.202 -7.708 205 HD11 LEU 28 HD11 LEU 28 -3.119 8.687 -8.948 206 HD12 LEU 28 HD12 LEU 28 -2.492 7.809 -10.343 207 HD13 LEU 28 HD13 LEU 28 -1.700 9.296 -9.803 208 HD21 LEU 28 HD21 LEU 28 -3.007 6.702 -7.571 209 HD22 LEU 28 HD22 LEU 28 -1.492 5.834 -7.357 210 HD23 LEU 28 HD23 LEU 28 -2.354 5.735 -8.895 211 H ASP 29 HN ASP 29 3.196 6.996 -9.590 212 HA ASP 29 HA ASP 29 3.125 4.657 -11.332 213 HB2 ASP 29 HB2 ASP 29 3.560 6.995 -12.165 214 HB3 ASP 29 HB1 ASP 29 5.095 6.953 -11.316 215 H LYS 30 HN LYS 30 4.084 4.861 -8.268 216 HA LYS 30 HA LYS 30 6.741 3.710 -8.674 217 HB2 LYS 30 HB2 LYS 30 5.506 4.930 -6.209 218 HB3 LYS 30 HB1 LYS 30 7.101 4.213 -6.296 219 HG2 LYS 30 HG2 LYS 30 6.238 6.667 -7.841 220 HG3 LYS 30 HG1 LYS 30 7.100 6.704 -6.309 221 HD2 LYS 30 HD2 LYS 30 8.833 6.983 -7.846 222 HD3 LYS 30 HD1 LYS 30 8.867 5.245 -7.586 223 HE2 LYS 30 HE2 LYS 30 7.445 5.031 -9.713 224 HE3 LYS 30 HE1 LYS 30 7.703 6.750 -9.922 225 HZ1 LYS 30 HZ1 LYS 30 9.274 5.404 -11.195 226 HZ2 LYS 30 HZ2 LYS 30 9.857 4.720 -9.787 227 HZ3 LYS 30 HZ3 LYS 30 10.055 6.389 -10.063 228 H SER 31 HN SER 31 7.171 1.792 -8.211 229 HA SER 31 HA SER 31 5.029 0.044 -7.390 230 HB2 SER 31 HB2 SER 31 6.322 -0.423 -9.435 231 HB3 SER 31 HB1 SER 31 7.797 -0.482 -8.480 232 HG SER 31 HG SER 31 6.499 -2.495 -9.086 233 H PHE 32 HN PHE 32 4.958 -0.840 -5.487 234 HA PHE 32 HA PHE 32 6.511 -0.143 -3.233 235 HB2 PHE 32 HB2 PHE 32 5.036 -2.760 -3.638 236 HB3 PHE 32 HB1 PHE 32 5.592 -2.118 -2.109 237 HD1 PHE 32 HD1 PHE 32 4.599 0.160 -1.445 238 HD2 PHE 32 HD2 PHE 32 2.888 -2.445 -4.315 239 HE1 PHE 32 HE1 PHE 32 2.446 1.263 -1.128 240 HE2 PHE 32 HE2 PHE 32 0.707 -1.350 -4.011 241 HZ PHE 32 HZ PHE 32 0.417 0.363 -2.392 242 H THR 33 HN THR 33 6.462 -3.116 -5.123 243 HA THR 33 HA THR 33 8.801 -4.092 -3.827 244 HB THR 33 HB THR 33 8.129 -6.035 -5.523 245 HG1 THR 33 HG1 THR 33 5.537 -5.230 -5.061 246 HG21 THR 33 HG21 THR 33 6.651 -6.910 -3.760 247 HG22 THR 33 HG22 THR 33 6.556 -5.300 -3.041 248 HG23 THR 33 HG23 THR 33 8.091 -6.168 -3.061 249 H ASP 34 HN ASP 34 9.335 -1.825 -5.430 250 HA ASP 34 HA ASP 34 11.500 -2.845 -7.007 251 HB2 ASP 34 HB2 ASP 34 9.707 -3.095 -8.686 252 HB3 ASP 34 HB1 ASP 34 9.309 -1.392 -8.511 253 H ASP 35 HN ASP 35 9.502 0.134 -6.822 254 HA ASP 35 HA ASP 35 11.883 1.780 -7.047 255 HB2 ASP 35 HB2 ASP 35 8.998 2.563 -6.580 256 HB3 ASP 35 HB1 ASP 35 10.321 3.682 -6.848 257 H LEU 36 HN LEU 36 9.322 1.222 -4.755 258 HA LEU 36 HA LEU 36 10.372 3.063 -2.832 259 HB2 LEU 36 HB2 LEU 36 8.196 1.016 -2.491 260 HB3 LEU 36 HB1 LEU 36 8.487 2.417 -1.485 261 HG LEU 36 HG LEU 36 7.557 2.447 -4.352 262 HD11 LEU 36 HD11 LEU 36 5.475 3.319 -3.427 263 HD12 LEU 36 HD12 LEU 36 6.117 3.096 -1.798 264 HD13 LEU 36 HD13 LEU 36 5.841 1.697 -2.837 265 HD21 LEU 36 HD21 LEU 36 8.024 4.734 -2.436 266 HD22 LEU 36 HD22 LEU 36 7.267 4.856 -4.030 267 HD23 LEU 36 HD23 LEU 36 8.955 4.361 -3.894 268 H ASP 37 HN ASP 37 9.803 -0.427 -2.831 269 HA ASP 37 HA ASP 37 10.502 -2.130 -1.641 270 HB2 ASP 37 HB2 ASP 37 12.840 -1.563 -2.261 271 HB3 ASP 37 HB1 ASP 37 12.938 -0.488 -0.864 272 H VAL 38 HN VAL 38 9.271 -2.588 -0.117 273 HA VAL 38 HA VAL 38 8.949 -0.641 2.072 274 HB VAL 38 HB VAL 38 7.009 -2.878 1.420 275 HG11 VAL 38 HG11 VAL 38 6.701 -1.802 3.572 276 HG12 VAL 38 HG12 VAL 38 5.360 -1.421 2.492 277 HG13 VAL 38 HG13 VAL 38 6.623 -0.224 2.791 278 HG21 VAL 38 HG21 VAL 38 5.693 -1.293 0.087 279 HG22 VAL 38 HG22 VAL 38 7.276 -1.597 -0.629 280 HG23 VAL 38 HG23 VAL 38 6.980 -0.096 0.252 281 H ASP 39 HN ASP 39 11.161 -2.333 2.036 282 HA ASP 39 HA ASP 39 12.458 -3.580 3.373 283 HB2 ASP 39 HB2 ASP 39 11.594 -2.104 5.135 284 HB3 ASP 39 HB1 ASP 39 10.227 -3.175 5.381 285 H SER 40 HN SER 40 9.718 -4.612 2.264 286 HA SER 40 HA SER 40 8.747 -6.403 1.580 287 HB2 SER 40 HB2 SER 40 10.051 -8.317 0.928 288 HB3 SER 40 HB1 SER 40 10.775 -6.784 0.453 289 H LEU 41 HN LEU 41 10.338 -7.268 4.561 290 HA LEU 41 HA LEU 41 8.251 -9.242 4.883 291 HB2 LEU 41 HB2 LEU 41 9.307 -9.786 7.109 292 HB3 LEU 41 HB1 LEU 41 10.299 -10.077 5.704 293 HG LEU 41 HG LEU 41 11.479 -7.918 6.218 294 HD11 LEU 41 HD11 LEU 41 10.068 -8.206 8.881 295 HD12 LEU 41 HD12 LEU 41 9.772 -6.936 7.703 296 HD13 LEU 41 HD13 LEU 41 11.343 -7.039 8.507 297 HD21 LEU 41 HD21 LEU 41 12.468 -10.060 6.708 298 HD22 LEU 41 HD22 LEU 41 11.615 -10.136 8.248 299 HD23 LEU 41 HD23 LEU 41 12.858 -8.912 7.988 300 H SER 42 HN SER 42 8.982 -6.071 6.055 301 HA SER 42 HA SER 42 6.933 -6.178 8.025 302 HB2 SER 42 HB2 SER 42 7.591 -3.792 8.424 303 HB3 SER 42 HB1 SER 42 8.887 -4.975 8.615 304 HG SER 42 HG SER 42 9.892 -4.140 7.012 305 H MET 43 HN MET 43 7.018 -5.529 4.762 306 HA MET 43 HA MET 43 5.237 -3.473 4.524 307 HB2 MET 43 HB2 MET 43 4.538 -4.539 2.249 308 HB3 MET 43 HB1 MET 43 6.183 -3.980 2.481 309 HG2 MET 43 HG2 MET 43 6.079 -6.082 1.291 310 HG3 MET 43 HG1 MET 43 6.949 -6.219 2.809 311 HE1 MET 43 HE1 MET 43 3.994 -7.449 0.729 312 HE2 MET 43 HE2 MET 43 3.180 -6.254 1.760 313 HE3 MET 43 HE3 MET 43 2.816 -8.002 1.914 314 H VAL 44 HN VAL 44 4.504 -6.752 5.329 315 HA VAL 44 HA VAL 44 1.727 -6.705 4.955 316 HB VAL 44 HB VAL 44 3.280 -8.207 7.102 317 HG11 VAL 44 HG11 VAL 44 1.380 -9.759 7.150 318 HG12 VAL 44 HG12 VAL 44 0.512 -8.729 6.013 319 HG13 VAL 44 HG13 VAL 44 0.901 -8.129 7.626 320 HG21 VAL 44 HG21 VAL 44 4.073 -8.737 4.868 321 HG22 VAL 44 HG22 VAL 44 2.427 -9.073 4.337 322 HG23 VAL 44 HG23 VAL 44 3.195 -10.111 5.541 323 H GLU 45 HN GLU 45 3.775 -5.617 7.576 324 HA GLU 45 HA GLU 45 1.756 -4.995 9.449 325 HB2 GLU 45 HB2 GLU 45 4.520 -3.784 9.184 326 HB3 GLU 45 HB1 GLU 45 3.520 -3.816 10.633 327 HG2 GLU 45 HG2 GLU 45 3.673 -6.268 10.667 328 HG3 GLU 45 HG1 GLU 45 4.673 -6.204 9.237 329 H VAL 46 HN VAL 46 3.591 -3.089 7.048 330 HA VAL 46 HA VAL 46 2.294 -0.668 7.186 331 HB VAL 46 HB VAL 46 3.117 -2.133 4.649 332 HG11 VAL 46 HG11 VAL 46 1.582 -0.285 4.119 333 HG12 VAL 46 HG12 VAL 46 3.214 0.106 3.592 334 HG13 VAL 46 HG13 VAL 46 2.571 0.821 5.062 335 HG21 VAL 46 HG21 VAL 46 5.166 -0.794 4.813 336 HG22 VAL 46 HG22 VAL 46 4.952 -1.841 6.215 337 HG23 VAL 46 HG23 VAL 46 4.593 -0.118 6.337 338 H VAL 47 HN VAL 47 1.270 -3.438 5.146 339 HA VAL 47 HA VAL 47 -1.081 -2.579 4.035 340 HB VAL 47 HB VAL 47 -0.645 -5.312 5.293 341 HG11 VAL 47 HG11 VAL 47 -2.271 -6.131 3.653 342 HG12 VAL 47 HG12 VAL 47 -2.550 -4.476 3.111 343 HG13 VAL 47 HG13 VAL 47 -2.987 -4.950 4.750 344 HG21 VAL 47 HG21 VAL 47 -0.090 -4.347 2.502 345 HG22 VAL 47 HG22 VAL 47 0.058 -6.012 3.066 346 HG23 VAL 47 HG23 VAL 47 1.110 -4.757 3.727 347 H VAL 48 HN VAL 48 -0.908 -4.277 7.143 348 HA VAL 48 HA VAL 48 -3.544 -4.136 7.940 349 HB VAL 48 HB VAL 48 -1.137 -3.879 9.772 350 HG11 VAL 48 HG11 VAL 48 -3.940 -4.829 10.368 351 HG12 VAL 48 HG12 VAL 48 -3.223 -3.314 10.912 352 HG13 VAL 48 HG13 VAL 48 -2.580 -4.852 11.492 353 HG21 VAL 48 HG21 VAL 48 -1.310 -6.313 9.990 354 HG22 VAL 48 HG22 VAL 48 -0.982 -5.823 8.326 355 HG23 VAL 48 HG23 VAL 48 -2.608 -6.319 8.795 356 H ALA 49 HN ALA 49 -1.105 -1.623 8.326 357 HA ALA 49 HA ALA 49 -2.965 0.048 9.798 358 HB1 ALA 49 HB1 ALA 49 -0.117 0.631 9.021 359 HB2 ALA 49 HB2 ALA 49 -0.641 -0.078 10.550 360 HB3 ALA 49 HB3 ALA 49 -1.113 1.571 10.130 361 H ALA 50 HN ALA 50 -1.769 -0.264 6.564 362 HA ALA 50 HA ALA 50 -2.505 2.357 5.693 363 HB1 ALA 50 HB1 ALA 50 -2.133 1.455 3.429 364 HB2 ALA 50 HB2 ALA 50 -1.998 -0.170 4.101 365 HB3 ALA 50 HB3 ALA 50 -0.792 1.053 4.503 366 H GLU 51 HN GLU 51 -3.844 -0.898 5.192 367 HA GLU 51 HA GLU 51 -6.249 -0.220 4.121 368 HB2 GLU 51 HB2 GLU 51 -5.214 -2.516 5.727 369 HB3 GLU 51 HB1 GLU 51 -6.928 -2.449 5.353 370 HG2 GLU 51 HG2 GLU 51 -5.258 -3.741 3.815 371 HG3 GLU 51 HG1 GLU 51 -6.591 -2.833 3.104 372 H GLU 52 HN GLU 52 -5.196 -0.075 7.393 373 HA GLU 52 HA GLU 52 -7.704 0.202 8.691 374 HB2 GLU 52 HB2 GLU 52 -5.413 -0.355 9.692 375 HB3 GLU 52 HB1 GLU 52 -5.091 1.366 9.646 376 HG2 GLU 52 HG2 GLU 52 -5.785 0.736 11.846 377 HG3 GLU 52 HG1 GLU 52 -7.039 1.733 11.110 378 H ARG 53 HN ARG 53 -5.743 2.337 6.830 379 HA ARG 53 HA ARG 53 -6.778 4.845 7.862 380 HB2 ARG 53 HB2 ARG 53 -4.472 4.785 7.118 381 HB3 ARG 53 HB1 ARG 53 -4.939 4.149 5.559 382 HG2 ARG 53 HG2 ARG 53 -4.339 6.417 5.211 383 HG3 ARG 53 HG1 ARG 53 -6.095 6.361 5.122 384 HD2 ARG 53 HD2 ARG 53 -4.509 7.201 7.553 385 HD3 ARG 53 HD1 ARG 53 -5.196 8.313 6.374 386 HE ARG 53 HE ARG 53 -7.366 7.422 7.004 387 HH11 ARG 53 HH11 ARG 53 -4.643 7.411 9.298 388 HH12 ARG 53 HH12 ARG 53 -5.584 7.146 10.678 389 HH21 ARG 53 HH21 ARG 53 -8.696 7.087 8.930 390 HH22 ARG 53 HH22 ARG 53 -7.966 6.928 10.471 391 H PHE 54 HN PHE 54 -7.141 2.837 4.978 392 HA PHE 54 HA PHE 54 -8.863 4.786 3.630 393 HB2 PHE 54 HB2 PHE 54 -8.445 1.962 2.705 394 HB3 PHE 54 HB1 PHE 54 -8.747 3.407 1.753 395 HD1 PHE 54 HD1 PHE 54 -6.754 5.263 2.501 396 HD2 PHE 54 HD2 PHE 54 -6.475 1.038 2.177 397 HE1 PHE 54 HE1 PHE 54 -4.365 5.482 2.105 398 HE2 PHE 54 HE2 PHE 54 -4.038 1.235 1.777 399 HZ PHE 54 HZ PHE 54 -2.979 3.462 1.756 400 H ASP 55 HN ASP 55 -9.290 2.550 5.947 401 HA ASP 55 HA ASP 55 -10.789 1.110 6.662 402 HB2 ASP 55 HB2 ASP 55 -12.258 3.037 6.982 403 HB3 ASP 55 HB1 ASP 55 -12.778 2.960 5.300 404 H VAL 56 HN VAL 56 -9.683 -0.234 5.323 405 HA VAL 56 HA VAL 56 -11.486 -1.757 3.726 406 HB VAL 56 HB VAL 56 -10.331 -0.323 2.047 407 HG11 VAL 56 HG11 VAL 56 -8.335 0.194 3.204 408 HG12 VAL 56 HG12 VAL 56 -7.956 -0.519 1.628 409 HG13 VAL 56 HG13 VAL 56 -7.791 -1.480 3.096 410 HG21 VAL 56 HG21 VAL 56 -9.386 -3.188 1.899 411 HG22 VAL 56 HG22 VAL 56 -9.405 -2.048 0.552 412 HG23 VAL 56 HG23 VAL 56 -10.920 -2.557 1.297 413 H LYS 57 HN LYS 57 -10.136 -3.858 3.231 414 HA LYS 57 HA LYS 57 -8.437 -4.565 5.460 415 HB2 LYS 57 HB2 LYS 57 -11.142 -5.883 5.023 416 HB3 LYS 57 HB1 LYS 57 -9.875 -6.584 6.000 417 HG2 LYS 57 HG2 LYS 57 -11.352 -5.660 7.558 418 HG3 LYS 57 HG1 LYS 57 -10.079 -4.454 7.443 419 HD2 LYS 57 HD2 LYS 57 -11.515 -3.111 5.942 420 HD3 LYS 57 HD1 LYS 57 -12.782 -4.334 6.076 421 HE2 LYS 57 HE2 LYS 57 -12.834 -3.953 8.523 422 HE3 LYS 57 HE1 LYS 57 -11.639 -2.679 8.330 423 HZ1 LYS 57 HZ1 LYS 57 -13.994 -1.960 8.516 424 HZ2 LYS 57 HZ2 LYS 57 -14.310 -2.616 7.007 425 HZ3 LYS 57 HZ3 LYS 57 -13.228 -1.321 7.183 426 H ILE 58 HN ILE 58 -6.820 -5.289 4.178 427 HA ILE 58 HA ILE 58 -7.529 -7.356 2.217 428 HB ILE 58 HB ILE 58 -5.247 -5.351 1.907 429 HG12 ILE 58 HG12 ILE 58 -7.896 -5.363 0.435 430 HG13 ILE 58 HG11 ILE 58 -7.517 -4.273 1.761 431 HG21 ILE 58 HG21 ILE 58 -5.003 -7.566 0.779 432 HG22 ILE 58 HG22 ILE 58 -5.137 -6.220 -0.357 433 HG23 ILE 58 HG23 ILE 58 -6.535 -7.250 -0.055 434 HD11 ILE 58 HD11 ILE 58 -6.077 -4.402 -0.884 435 HD12 ILE 58 HD12 ILE 58 -5.718 -3.298 0.443 436 HD13 ILE 58 HD13 ILE 58 -7.262 -3.190 -0.398 437 HA PRO 59 HA PRO 59 -4.768 -9.495 5.000 438 HB2 PRO 59 HB2 PRO 59 -5.246 -11.847 3.361 439 HB3 PRO 59 HB1 PRO 59 -5.761 -11.517 5.018 440 HG2 PRO 59 HG2 PRO 59 -7.473 -11.643 2.890 441 HG3 PRO 59 HG1 PRO 59 -7.791 -10.725 4.370 442 HD2 PRO 59 HD2 PRO 59 -6.881 -9.749 1.695 443 HD3 PRO 59 HD1 PRO 59 -7.958 -8.994 2.880 444 H ASP 60 HN ASP 60 -2.774 -10.653 4.831 445 HA ASP 60 HA ASP 60 -0.972 -9.559 3.070 446 HB2 ASP 60 HB2 ASP 60 0.699 -11.161 3.823 447 HB3 ASP 60 HB1 ASP 60 -0.228 -10.527 5.173 448 H ASP 61 HN ASP 61 -2.574 -12.699 2.670 449 HA ASP 61 HA ASP 61 -0.992 -13.424 0.425 450 HB2 ASP 61 HB2 ASP 61 -3.663 -14.424 1.367 451 HB3 ASP 61 HB1 ASP 61 -2.970 -14.972 -0.153 452 H ASP 62 HN ASP 62 -3.749 -11.423 0.691 453 HA ASP 62 HA ASP 62 -4.186 -11.457 -2.149 454 HB2 ASP 62 HB2 ASP 62 -5.496 -9.919 0.079 455 HB3 ASP 62 HB1 ASP 62 -5.837 -9.581 -1.612 456 H VAL 63 HN VAL 63 -2.549 -9.434 0.162 457 HA VAL 63 HA VAL 63 -2.259 -7.272 -1.672 458 HB VAL 63 HB VAL 63 -2.223 -6.918 0.808 459 HG11 VAL 63 HG11 VAL 63 -0.156 -7.230 2.056 460 HG12 VAL 63 HG12 VAL 63 0.541 -8.067 0.668 461 HG13 VAL 63 HG13 VAL 63 -0.849 -8.755 1.505 462 HG21 VAL 63 HG21 VAL 63 -0.477 -5.190 0.815 463 HG22 VAL 63 HG22 VAL 63 -1.470 -5.159 -0.639 464 HG23 VAL 63 HG23 VAL 63 0.155 -5.847 -0.697 465 H LYS 64 HN LYS 64 -0.561 -10.166 -1.170 466 HA LYS 64 HA LYS 64 2.020 -9.565 -2.108 467 HB2 LYS 64 HB2 LYS 64 0.459 -12.143 -2.290 468 HB3 LYS 64 HB1 LYS 64 2.175 -12.000 -2.647 469 HG2 LYS 64 HG2 LYS 64 2.681 -11.452 -0.412 470 HG3 LYS 64 HG1 LYS 64 0.978 -11.236 -0.009 471 HD2 LYS 64 HD2 LYS 64 0.644 -13.667 -0.504 472 HD3 LYS 64 HD1 LYS 64 2.396 -13.813 -0.677 473 HE2 LYS 64 HE2 LYS 64 2.738 -13.087 1.587 474 HE3 LYS 64 HE1 LYS 64 1.023 -12.740 1.775 475 HZ1 LYS 64 HZ1 LYS 64 2.243 -15.429 1.409 476 HZ2 LYS 64 HZ2 LYS 64 0.577 -15.142 1.558 477 HZ3 LYS 64 HZ3 LYS 64 1.630 -14.758 2.828 478 H ASN 65 HN ASN 65 -0.740 -9.206 -3.813 479 HA ASN 65 HA ASN 65 0.431 -9.933 -6.406 480 HB2 ASN 65 HB2 ASN 65 -2.417 -9.710 -5.482 481 HB3 ASN 65 HB1 ASN 65 -1.995 -9.713 -7.195 482 HD21 ASN 65 HD21 ASN 65 -3.355 -11.684 -5.283 483 HD22 ASN 65 HD22 ASN 65 -2.562 -13.164 -5.613 484 H LEU 66 HN LEU 66 0.360 -7.319 -4.555 485 HA LEU 66 HA LEU 66 -0.523 -5.459 -6.587 486 HB2 LEU 66 HB2 LEU 66 0.482 -5.170 -3.790 487 HB3 LEU 66 HB1 LEU 66 0.210 -3.759 -4.763 488 HG LEU 66 HG LEU 66 -1.820 -5.775 -3.788 489 HD11 LEU 66 HD11 LEU 66 -2.783 -3.868 -2.635 490 HD12 LEU 66 HD12 LEU 66 -1.521 -2.823 -3.284 491 HD13 LEU 66 HD13 LEU 66 -1.104 -4.116 -2.158 492 HD21 LEU 66 HD21 LEU 66 -3.522 -4.431 -4.916 493 HD22 LEU 66 HD22 LEU 66 -2.384 -5.135 -6.068 494 HD23 LEU 66 HD23 LEU 66 -2.259 -3.432 -5.629 495 H LYS 67 HN LYS 67 0.876 -3.804 -7.388 496 HA LYS 67 HA LYS 67 3.657 -4.298 -6.801 497 HB2 LYS 67 HB2 LYS 67 4.539 -4.174 -9.025 498 HB3 LYS 67 HB1 LYS 67 3.266 -5.378 -9.025 499 HG2 LYS 67 HG2 LYS 67 3.034 -2.585 -10.131 500 HG3 LYS 67 HG1 LYS 67 3.465 -3.996 -11.077 501 HD2 LYS 67 HD2 LYS 67 0.849 -3.542 -9.640 502 HD3 LYS 67 HD1 LYS 67 1.130 -3.304 -11.353 503 HE2 LYS 67 HE2 LYS 67 0.070 -5.391 -11.246 504 HE3 LYS 67 HE1 LYS 67 1.772 -5.790 -11.427 505 HZ1 LYS 67 HZ1 LYS 67 1.881 -6.314 -9.061 506 HZ2 LYS 67 HZ2 LYS 67 0.637 -7.157 -9.779 507 HZ3 LYS 67 HZ3 LYS 67 0.272 -5.782 -8.863 508 H THR 68 HN THR 68 1.753 -1.858 -8.623 509 HA THR 68 HA THR 68 3.472 0.125 -7.363 510 HB THR 68 HB THR 68 2.377 1.663 -8.989 511 HG1 THR 68 HG1 THR 68 1.158 0.596 -10.672 512 HG21 THR 68 HG21 THR 68 3.468 0.771 -10.998 513 HG22 THR 68 HG22 THR 68 3.592 -0.812 -10.232 514 HG23 THR 68 HG23 THR 68 4.496 0.557 -9.581 515 H VAL 69 HN VAL 69 2.150 2.212 -6.785 516 HA VAL 69 HA VAL 69 -0.083 1.265 -5.281 517 HB VAL 69 HB VAL 69 -0.426 3.424 -4.332 518 HG11 VAL 69 HG11 VAL 69 2.496 2.854 -4.488 519 HG12 VAL 69 HG12 VAL 69 1.301 2.173 -3.369 520 HG13 VAL 69 HG13 VAL 69 1.692 3.890 -3.297 521 HG21 VAL 69 HG21 VAL 69 -0.143 4.786 -6.276 522 HG22 VAL 69 HG22 VAL 69 1.596 4.484 -6.261 523 HG23 VAL 69 HG23 VAL 69 0.838 5.385 -4.944 524 H GLY 70 HN GLY 70 0.383 2.334 -8.385 525 HA2 GLY 70 HA2 GLY 70 -2.205 3.380 -8.894 526 HA3 GLY 70 HA1 GLY 70 -1.129 2.639 -10.091 527 H ASP 71 HN ASP 71 -0.696 0.194 -9.197 528 HA ASP 71 HA ASP 71 -2.970 -1.314 -9.821 529 HB2 ASP 71 HB2 ASP 71 -0.656 -2.095 -10.055 530 HB3 ASP 71 HB1 ASP 71 -0.459 -2.051 -8.316 531 H ALA 72 HN ALA 72 -1.492 -0.379 -6.777 532 HA ALA 72 HA ALA 72 -3.179 -1.816 -5.057 533 HB1 ALA 72 HB1 ALA 72 -1.726 0.755 -4.480 534 HB2 ALA 72 HB2 ALA 72 -1.044 -0.867 -4.354 535 HB3 ALA 72 HB3 ALA 72 -2.363 -0.380 -3.288 536 H THR 73 HN THR 73 -3.388 1.574 -6.152 537 HA THR 73 HA THR 73 -5.441 2.433 -4.602 538 HB THR 73 HB THR 73 -4.883 3.212 -7.491 539 HG1 THR 73 HG1 THR 73 -3.161 3.650 -6.106 540 HG21 THR 73 HG21 THR 73 -6.438 4.725 -5.392 541 HG22 THR 73 HG22 THR 73 -7.162 3.913 -6.782 542 HG23 THR 73 HG23 THR 73 -6.077 5.286 -7.021 543 H LYS 74 HN LYS 74 -5.840 1.170 -7.932 544 HA LYS 74 HA LYS 74 -8.652 1.129 -8.003 545 HB2 LYS 74 HB2 LYS 74 -6.621 -0.497 -9.540 546 HB3 LYS 74 HB1 LYS 74 -8.342 -0.627 -9.827 547 HG2 LYS 74 HG2 LYS 74 -7.329 0.758 -11.483 548 HG3 LYS 74 HG1 LYS 74 -8.402 1.726 -10.467 549 HD2 LYS 74 HD2 LYS 74 -6.478 2.623 -9.264 550 HD3 LYS 74 HD1 LYS 74 -5.392 1.586 -10.181 551 HE2 LYS 74 HE2 LYS 74 -7.124 3.754 -11.367 552 HE3 LYS 74 HE1 LYS 74 -5.425 3.948 -10.950 553 HZ1 LYS 74 HZ1 LYS 74 -6.497 2.038 -12.987 554 HZ2 LYS 74 HZ2 LYS 74 -4.871 2.230 -12.541 555 HZ3 LYS 74 HZ3 LYS 74 -5.677 3.483 -13.293 556 H TYR 75 HN TYR 75 -6.354 -1.157 -6.842 557 HA TYR 75 HA TYR 75 -8.039 -3.392 -6.676 558 HB2 TYR 75 HB2 TYR 75 -5.602 -3.563 -6.780 559 HB3 TYR 75 HB1 TYR 75 -5.463 -2.728 -5.243 560 HD1 TYR 75 HD2 TYR 75 -5.994 -3.901 -3.163 561 HD2 TYR 75 HD1 TYR 75 -6.129 -5.882 -6.917 562 HE1 TYR 75 HE2 TYR 75 -5.950 -6.053 -2.016 563 HE2 TYR 75 HE1 TYR 75 -6.082 -8.053 -5.779 564 HH TYR 75 HH TYR 75 -5.267 -8.906 -3.506 565 H ILE 76 HN ILE 76 -6.757 -1.090 -4.306 566 HA ILE 76 HA ILE 76 -8.119 -1.976 -2.045 567 HB ILE 76 HB ILE 76 -7.013 0.758 -2.762 568 HG12 ILE 76 HG12 ILE 76 -5.933 -1.431 -0.970 569 HG13 ILE 76 HG11 ILE 76 -5.407 -1.128 -2.619 570 HG21 ILE 76 HG21 ILE 76 -7.146 1.300 -0.370 571 HG22 ILE 76 HG22 ILE 76 -7.971 -0.231 -0.070 572 HG23 ILE 76 HG23 ILE 76 -8.746 1.009 -1.060 573 HD11 ILE 76 HD11 ILE 76 -3.843 -0.234 -1.009 574 HD12 ILE 76 HD12 ILE 76 -5.119 0.761 -0.297 575 HD13 ILE 76 HD13 ILE 76 -4.583 1.058 -1.953 576 H LEU 77 HN LEU 77 -8.934 0.530 -4.431 577 HA LEU 77 HA LEU 77 -11.268 1.442 -3.350 578 HB2 LEU 77 HB2 LEU 77 -10.601 1.068 -6.264 579 HB3 LEU 77 HB1 LEU 77 -12.010 1.941 -5.705 580 HG LEU 77 HG LEU 77 -9.139 2.707 -5.177 581 HD11 LEU 77 HD11 LEU 77 -9.604 4.569 -6.678 582 HD12 LEU 77 HD12 LEU 77 -11.212 3.920 -6.991 583 HD13 LEU 77 HD13 LEU 77 -9.782 3.020 -7.498 584 HD21 LEU 77 HD21 LEU 77 -10.631 3.372 -3.361 585 HD22 LEU 77 HD22 LEU 77 -11.704 4.155 -4.521 586 HD23 LEU 77 HD23 LEU 77 -10.066 4.767 -4.272 587 H ASP 78 HN ASP 78 -10.802 -1.464 -5.303 588 HA ASP 78 HA ASP 78 -13.609 -2.046 -5.508 589 HB2 ASP 78 HB2 ASP 78 -11.930 -2.820 -7.188 590 HB3 ASP 78 HB1 ASP 78 -11.280 -3.920 -5.976 591 H HIS 79 HN HIS 79 -10.990 -3.034 -3.439 592 HA HIS 79 HA HIS 79 -12.476 -5.094 -2.095 593 HB2 HIS 79 HB2 HIS 79 -9.781 -3.913 -1.657 594 HB3 HIS 79 HB1 HIS 79 -10.521 -4.870 -0.381 595 HD1 HIS 79 HD1 HIS 79 -10.301 -7.346 -0.559 596 HD2 HIS 79 HD2 HIS 79 -9.494 -5.429 -4.160 597 HE1 HIS 79 HE1 HIS 79 -9.371 -9.098 -2.059 598 HE2 HIS 79 HE2 HIS 79 -9.223 -8.014 -4.285 599 H GLN 80 HN GLN 80 -12.113 -1.700 -1.571 600 HA GLN 80 HA GLN 80 -13.010 -1.887 1.177 601 HB2 GLN 80 HB2 GLN 80 -12.704 0.486 1.276 602 HB3 GLN 80 HB1 GLN 80 -11.286 -0.234 0.530 603 HG2 GLN 80 HG2 GLN 80 -12.093 0.441 -1.671 604 HG3 GLN 80 HG1 GLN 80 -13.537 1.124 -0.935 605 HE21 GLN 80 HE21 GLN 80 -10.353 1.412 0.488 606 HE22 GLN 80 HE22 GLN 80 -10.191 3.104 0.193 607 H ALA 81 HN ALA 81 -14.840 -0.849 1.908 608 HA ALA 81 HA ALA 81 -16.905 -0.374 -0.077 609 HB1 ALA 81 HB1 ALA 81 -17.081 -0.766 2.928 610 HB2 ALA 81 HB2 ALA 81 -17.528 -1.954 1.705 611 HB3 ALA 81 HB3 ALA 81 -18.454 -0.460 1.865 612 H2 SOO 101 H2A SOO 101 4.206 -5.646 -0.593 613 H3 SOO 101 H3A SOO 101 2.179 -3.637 -1.642 614 H4 SOO 101 H4A SOO 101 3.764 -4.116 0.952 615 H4A SOO 101 H4B SOO 101 3.781 -2.594 0.064 616 H5 SOO 101 H5A SOO 101 2.285 -2.357 1.919 617 H5A SOO 101 H5B SOO 101 1.459 -3.854 1.513 618 H6 SOO 101 H6A SOO 101 0.680 -2.829 -0.592 619 H6A SOO 101 H6B SOO 101 1.424 -1.308 -0.095 620 H7 SOO 101 H7A SOO 101 -0.028 -1.178 1.840 621 H7A SOO 101 H7B SOO 101 -0.714 -2.770 1.463 622 H8 SOO 101 H8C SOO 101 -1.570 -1.876 -0.651 623 H8A SOO 101 H8A SOO 101 -0.880 -0.300 -0.267 624 H8B SOO 101 H8B SOO 101 -2.181 -0.954 0.725 625 H28 SOO 101 H28A SOO 101 12.024 -11.245 1.199 626 H28A SOO 101 H28B SOO 101 10.619 -10.217 1.454 627 H30 SOO 101 H30A SOO 101 8.810 -10.041 -0.086 628 H30A SOO 101 H30B SOO 101 8.851 -10.832 -1.661 629 H30B SOO 101 H30C SOO 101 9.921 -9.470 -1.332 630 H31 SOO 101 H31A SOO 101 10.902 -12.139 -2.340 631 H31A SOO 101 H31B SOO 101 12.246 -12.291 -1.209 632 H31B SOO 101 H31C SOO 101 11.890 -10.733 -1.947 633 H32 SOO 101 H32A SOO 101 9.283 -13.102 -0.691 634 HO33 SOO 101 H33A SOO 101 10.789 -13.692 1.408 635 HN36 SOO 101 H36A SOO 101 7.644 -11.358 0.443 636 H37 SOO 101 H37A SOO 101 6.339 -12.668 2.387 637 H37A SOO 101 H37B SOO 101 7.400 -11.565 3.279 638 H38 SOO 101 H38A SOO 101 5.126 -10.640 2.809 639 H38A SOO 101 H38B SOO 101 6.450 -9.694 2.173 640 HN41 SOO 101 H41A SOO 101 5.621 -8.739 0.580 641 H42 SOO 101 H42A SOO 101 5.518 -9.571 -1.975 642 H42A SOO 101 H42B SOO 101 3.862 -9.807 -1.407 643 H43 SOO 101 H43A SOO 101 5.428 -7.241 -1.287 644 H43A SOO 101 H43B SOO 101 3.784 -7.472 -0.686 Start of MODEL 10 1 H1 ALA 1 HT1 ALA 1 -14.076 4.253 4.371 2 H2 ALA 1 HT2 ALA 1 -13.507 5.865 4.290 3 H3 ALA 1 HT3 ALA 1 -12.431 4.651 4.579 4 HA ALA 1 HA ALA 1 -12.853 3.775 2.334 5 HB1 ALA 1 HB1 ALA 1 -15.131 4.650 2.093 6 HB2 ALA 1 HB2 ALA 1 -14.094 5.227 0.787 7 HB3 ALA 1 HB3 ALA 1 -14.507 6.299 2.127 8 H ALA 2 HN ALA 2 -12.018 5.326 0.304 9 HA ALA 2 HA ALA 2 -10.417 7.526 1.148 10 HB1 ALA 2 HB1 ALA 2 -9.038 5.710 2.035 11 HB2 ALA 2 HB2 ALA 2 -8.240 6.521 0.689 12 HB3 ALA 2 HB3 ALA 2 -9.007 4.951 0.444 13 H THR 3 HN THR 3 -9.811 8.722 -0.608 14 HA THR 3 HA THR 3 -10.665 7.822 -3.213 15 HB THR 3 HB THR 3 -9.904 10.096 -3.896 16 HG1 THR 3 HG1 THR 3 -9.544 11.286 -1.587 17 HG21 THR 3 HG21 THR 3 -11.652 10.053 -1.422 18 HG22 THR 3 HG22 THR 3 -12.208 9.771 -3.072 19 HG23 THR 3 HG23 THR 3 -11.586 11.356 -2.609 20 H GLN 4 HN GLN 4 -8.856 8.608 -5.026 21 HA GLN 4 HA GLN 4 -6.622 6.950 -4.746 22 HB2 GLN 4 HB2 GLN 4 -7.297 7.458 -6.958 23 HB3 GLN 4 HB1 GLN 4 -7.373 9.176 -6.648 24 HG2 GLN 4 HG2 GLN 4 -4.746 7.740 -6.593 25 HG3 GLN 4 HG1 GLN 4 -5.466 8.205 -8.141 26 HE21 GLN 4 HE21 GLN 4 -2.994 9.126 -6.891 27 HE22 GLN 4 HE22 GLN 4 -3.145 10.835 -6.680 28 H GLU 5 HN GLU 5 -7.189 10.288 -4.124 29 HA GLU 5 HA GLU 5 -4.562 11.136 -3.666 30 HB2 GLU 5 HB2 GLU 5 -7.116 12.199 -2.456 31 HB3 GLU 5 HB1 GLU 5 -5.596 13.067 -2.622 32 HG2 GLU 5 HG2 GLU 5 -5.800 12.965 -5.058 33 HG3 GLU 5 HG1 GLU 5 -7.320 12.093 -4.890 34 H GLU 6 HN GLU 6 -7.083 9.908 -1.500 35 HA GLU 6 HA GLU 6 -5.516 10.094 0.865 36 HB2 GLU 6 HB2 GLU 6 -7.996 8.525 0.251 37 HB3 GLU 6 HB1 GLU 6 -7.248 8.598 1.838 38 HG2 GLU 6 HG2 GLU 6 -7.642 10.953 1.964 39 HG3 GLU 6 HG1 GLU 6 -8.264 10.966 0.310 40 H ILE 7 HN ILE 7 -6.147 7.480 -1.432 41 HA ILE 7 HA ILE 7 -4.877 5.464 0.066 42 HB ILE 7 HB ILE 7 -5.306 5.703 -2.933 43 HG12 ILE 7 HG12 ILE 7 -6.686 4.015 -0.833 44 HG13 ILE 7 HG11 ILE 7 -7.315 5.518 -1.494 45 HG21 ILE 7 HG21 ILE 7 -4.768 3.306 -3.084 46 HG22 ILE 7 HG22 ILE 7 -4.329 3.296 -1.374 47 HG23 ILE 7 HG23 ILE 7 -3.378 4.238 -2.523 48 HD11 ILE 7 HD11 ILE 7 -7.437 4.490 -3.699 49 HD12 ILE 7 HD12 ILE 7 -8.374 3.590 -2.507 50 HD13 ILE 7 HD13 ILE 7 -6.800 2.987 -3.033 51 H VAL 8 HN VAL 8 -3.619 7.339 -2.682 52 HA VAL 8 HA VAL 8 -1.011 6.375 -2.599 53 HB VAL 8 HB VAL 8 -2.119 9.020 -3.586 54 HG11 VAL 8 HG11 VAL 8 0.305 9.208 -3.233 55 HG12 VAL 8 HG12 VAL 8 -0.103 9.189 -4.951 56 HG13 VAL 8 HG13 VAL 8 0.550 7.740 -4.183 57 HG21 VAL 8 HG21 VAL 8 -1.498 6.408 -4.919 58 HG22 VAL 8 HG22 VAL 8 -1.908 7.882 -5.771 59 HG23 VAL 8 HG23 VAL 8 -3.087 7.135 -4.682 60 H ALA 9 HN ALA 9 -2.132 9.548 -1.334 61 HA ALA 9 HA ALA 9 0.322 10.131 -0.072 62 HB1 ALA 9 HB1 ALA 9 -1.294 11.860 -0.691 63 HB2 ALA 9 HB2 ALA 9 -0.884 11.957 1.025 64 HB3 ALA 9 HB3 ALA 9 -2.417 11.242 0.516 65 H GLY 10 HN GLY 10 -2.614 8.551 1.061 66 HA2 GLY 10 HA2 GLY 10 -1.967 8.509 3.825 67 HA3 GLY 10 HA1 GLY 10 -3.157 7.511 3.003 68 H LEU 11 HN LEU 11 -1.326 6.327 1.152 69 HA LEU 11 HA LEU 11 -0.379 4.172 2.634 70 HB2 LEU 11 HB2 LEU 11 -0.575 4.959 -0.053 71 HB3 LEU 11 HB1 LEU 11 1.103 4.510 0.192 72 HG LEU 11 HG LEU 11 -1.276 2.758 0.895 73 HD11 LEU 11 HD11 LEU 11 -0.733 1.476 -1.098 74 HD12 LEU 11 HD12 LEU 11 0.507 2.657 -1.520 75 HD13 LEU 11 HD13 LEU 11 -1.193 3.130 -1.500 76 HD21 LEU 11 HD21 LEU 11 1.667 2.140 0.684 77 HD22 LEU 11 HD22 LEU 11 0.387 0.971 1.014 78 HD23 LEU 11 HD23 LEU 11 0.732 2.253 2.176 79 H ALA 12 HN ALA 12 1.217 6.980 1.294 80 HA ALA 12 HA ALA 12 3.826 6.356 2.092 81 HB1 ALA 12 HB1 ALA 12 3.292 8.059 0.453 82 HB2 ALA 12 HB2 ALA 12 4.327 8.670 1.748 83 HB3 ALA 12 HB3 ALA 12 2.605 9.073 1.729 84 H GLU 13 HN GLU 13 1.197 7.925 3.769 85 HA GLU 13 HA GLU 13 2.502 8.920 6.028 86 HB2 GLU 13 HB2 GLU 13 -0.223 7.602 5.921 87 HB3 GLU 13 HB1 GLU 13 0.356 8.654 7.195 88 HG2 GLU 13 HG2 GLU 13 -0.082 9.478 4.335 89 HG3 GLU 13 HG1 GLU 13 -1.215 9.744 5.657 90 H ILE 14 HN ILE 14 0.975 5.754 5.534 91 HA ILE 14 HA ILE 14 1.941 4.696 8.000 92 HB ILE 14 HB ILE 14 0.605 3.318 5.640 93 HG12 ILE 14 HG12 ILE 14 -1.198 2.846 7.360 94 HG13 ILE 14 HG11 ILE 14 -0.337 3.899 8.460 95 HG21 ILE 14 HG21 ILE 14 2.130 1.707 6.588 96 HG22 ILE 14 HG22 ILE 14 0.464 1.269 6.965 97 HG23 ILE 14 HG23 ILE 14 1.485 2.005 8.201 98 HD11 ILE 14 HD11 ILE 14 -2.226 5.012 7.435 99 HD12 ILE 14 HD12 ILE 14 -1.550 4.696 5.832 100 HD13 ILE 14 HD13 ILE 14 -0.707 5.768 6.946 101 H VAL 15 HN VAL 15 3.014 4.424 4.655 102 HA VAL 15 HA VAL 15 5.038 2.549 4.993 103 HB VAL 15 HB VAL 15 4.795 4.839 3.009 104 HG11 VAL 15 HG11 VAL 15 7.170 4.357 3.300 105 HG12 VAL 15 HG12 VAL 15 6.600 3.808 1.726 106 HG13 VAL 15 HG13 VAL 15 6.869 2.641 3.027 107 HG21 VAL 15 HG21 VAL 15 4.509 1.852 2.726 108 HG22 VAL 15 HG22 VAL 15 4.327 3.033 1.431 109 HG23 VAL 15 HG23 VAL 15 3.191 3.023 2.781 110 H ASN 16 HN ASN 16 5.049 5.992 5.587 111 HA ASN 16 HA ASN 16 7.817 6.246 6.081 112 HB2 ASN 16 HB2 ASN 16 6.183 8.089 5.526 113 HB3 ASN 16 HB1 ASN 16 5.612 7.974 7.183 114 HD21 ASN 16 HD21 ASN 16 8.263 8.814 5.132 115 HD22 ASN 16 HD22 ASN 16 9.105 9.792 6.281 116 H GLU 17 HN GLU 17 5.160 5.156 8.022 117 HA GLU 17 HA GLU 17 6.511 5.429 10.565 118 HB2 GLU 17 HB2 GLU 17 4.112 3.725 9.859 119 HB3 GLU 17 HB1 GLU 17 4.620 4.205 11.467 120 HG2 GLU 17 HG2 GLU 17 3.695 6.060 9.322 121 HG3 GLU 17 HG1 GLU 17 2.658 5.435 10.605 122 H ILE 18 HN ILE 18 5.471 2.733 8.518 123 HA ILE 18 HA ILE 18 6.625 0.629 10.055 124 HB ILE 18 HB ILE 18 5.866 0.617 7.135 125 HG12 ILE 18 HG12 ILE 18 3.985 1.336 8.565 126 HG13 ILE 18 HG11 ILE 18 3.706 -0.246 7.851 127 HG21 ILE 18 HG21 ILE 18 5.595 -1.810 7.446 128 HG22 ILE 18 HG22 ILE 18 6.191 -1.656 9.099 129 HG23 ILE 18 HG23 ILE 18 7.255 -1.285 7.742 130 HD11 ILE 18 HD11 ILE 18 4.550 0.299 10.688 131 HD12 ILE 18 HD12 ILE 18 4.288 -1.296 9.970 132 HD13 ILE 18 HD13 ILE 18 2.938 -0.173 10.132 133 H ALA 19 HN ALA 19 7.617 2.106 6.976 134 HA ALA 19 HA ALA 19 10.132 0.598 7.176 135 HB1 ALA 19 HB1 ALA 19 10.361 0.869 4.770 136 HB2 ALA 19 HB2 ALA 19 8.899 1.853 4.730 137 HB3 ALA 19 HB3 ALA 19 8.803 0.148 5.169 138 H GLY 20 HN GLY 20 8.823 3.794 6.644 139 HA2 GLY 20 HA2 GLY 20 9.884 5.789 7.298 140 HA3 GLY 20 HA1 GLY 20 11.408 4.911 7.423 141 H ILE 21 HN ILE 21 9.019 5.381 4.861 142 HA ILE 21 HA ILE 21 11.216 6.162 3.077 143 HB ILE 21 HB ILE 21 8.549 4.846 2.424 144 HG12 ILE 21 HG12 ILE 21 10.078 3.242 3.387 145 HG13 ILE 21 HG11 ILE 21 9.912 2.919 1.669 146 HG21 ILE 21 HG21 ILE 21 10.736 5.622 0.499 147 HG22 ILE 21 HG22 ILE 21 9.134 6.349 0.618 148 HG23 ILE 21 HG23 ILE 21 9.304 4.670 0.099 149 HD11 ILE 21 HD11 ILE 21 12.065 4.006 1.262 150 HD12 ILE 21 HD12 ILE 21 12.215 2.668 2.401 151 HD13 ILE 21 HD13 ILE 21 12.224 4.330 2.988 152 HA PRO 22 HA PRO 22 9.767 10.367 2.858 153 HB2 PRO 22 HB2 PRO 22 9.884 9.737 -0.068 154 HB3 PRO 22 HB1 PRO 22 10.423 11.189 0.787 155 HG2 PRO 22 HG2 PRO 22 12.164 9.306 0.075 156 HG3 PRO 22 HG1 PRO 22 12.319 10.161 1.619 157 HD2 PRO 22 HD2 PRO 22 11.519 7.370 1.085 158 HD3 PRO 22 HD1 PRO 22 12.202 8.087 2.559 159 H VAL 23 HN VAL 23 7.856 11.268 2.929 160 HA VAL 23 HA VAL 23 5.516 9.697 2.395 161 HB VAL 23 HB VAL 23 4.236 11.663 3.282 162 HG11 VAL 23 HG11 VAL 23 4.985 9.865 4.750 163 HG12 VAL 23 HG12 VAL 23 5.064 11.424 5.571 164 HG13 VAL 23 HG13 VAL 23 6.537 10.673 4.958 165 HG21 VAL 23 HG21 VAL 23 5.544 13.492 4.298 166 HG22 VAL 23 HG22 VAL 23 5.756 13.386 2.539 167 HG23 VAL 23 HG23 VAL 23 7.007 12.767 3.604 168 H GLU 24 HN GLU 24 7.230 11.607 0.378 169 HA GLU 24 HA GLU 24 4.852 12.270 -1.243 170 HB2 GLU 24 HB2 GLU 24 7.683 13.267 -1.457 171 HB3 GLU 24 HB1 GLU 24 6.353 13.730 -2.494 172 HG2 GLU 24 HG2 GLU 24 5.254 14.798 -0.627 173 HG3 GLU 24 HG1 GLU 24 6.567 14.284 0.445 174 H ASP 25 HN ASP 25 7.024 9.878 -0.831 175 HA ASP 25 HA ASP 25 7.858 9.773 -3.616 176 HB2 ASP 25 HB2 ASP 25 9.542 9.643 -1.876 177 HB3 ASP 25 HB1 ASP 25 8.824 8.169 -1.254 178 H VAL 26 HN VAL 26 5.450 8.407 -1.661 179 HA VAL 26 HA VAL 26 5.413 5.895 -3.067 180 HB VAL 26 HB VAL 26 3.629 6.979 -0.838 181 HG11 VAL 26 HG11 VAL 26 2.495 5.267 -2.158 182 HG12 VAL 26 HG12 VAL 26 2.884 4.668 -0.543 183 HG13 VAL 26 HG13 VAL 26 3.862 4.176 -1.922 184 HG21 VAL 26 HG21 VAL 26 4.867 5.462 0.645 185 HG22 VAL 26 HG22 VAL 26 5.919 6.683 -0.073 186 HG23 VAL 26 HG23 VAL 26 5.933 5.035 -0.695 187 H LYS 27 HN LYS 27 5.180 7.125 -4.950 188 HA LYS 27 HA LYS 27 2.651 8.498 -5.437 189 HB2 LYS 27 HB2 LYS 27 5.088 8.212 -7.211 190 HB3 LYS 27 HB1 LYS 27 3.663 9.215 -7.466 191 HG2 LYS 27 HG2 LYS 27 4.211 10.624 -5.640 192 HG3 LYS 27 HG1 LYS 27 5.557 9.578 -5.177 193 HD2 LYS 27 HD2 LYS 27 6.716 10.078 -7.234 194 HD3 LYS 27 HD1 LYS 27 5.337 11.002 -7.828 195 HE2 LYS 27 HE2 LYS 27 7.033 11.698 -5.428 196 HE3 LYS 27 HE1 LYS 27 7.133 12.462 -7.013 197 HZ1 LYS 27 HZ1 LYS 27 4.830 13.207 -6.730 198 HZ2 LYS 27 HZ2 LYS 27 5.808 13.818 -5.502 199 HZ3 LYS 27 HZ3 LYS 27 4.773 12.534 -5.188 200 H LEU 28 HN LEU 28 1.504 8.011 -7.461 201 HA LEU 28 HA LEU 28 0.663 5.389 -7.721 202 HB2 LEU 28 HB2 LEU 28 0.469 7.700 -9.620 203 HB3 LEU 28 HB1 LEU 28 -0.223 6.137 -10.004 204 HG LEU 28 HG LEU 28 -0.988 7.733 -7.551 205 HD11 LEU 28 HD11 LEU 28 -2.392 7.479 -10.206 206 HD12 LEU 28 HD12 LEU 28 -1.613 8.944 -9.586 207 HD13 LEU 28 HD13 LEU 28 -3.028 8.275 -8.766 208 HD21 LEU 28 HD21 LEU 28 -2.257 5.379 -8.930 209 HD22 LEU 28 HD22 LEU 28 -2.873 6.206 -7.497 210 HD23 LEU 28 HD23 LEU 28 -1.354 5.316 -7.419 211 H ASP 29 HN ASP 29 3.308 6.924 -9.282 212 HA ASP 29 HA ASP 29 3.625 4.840 -11.304 213 HB2 ASP 29 HB2 ASP 29 5.348 7.246 -10.719 214 HB3 ASP 29 HB1 ASP 29 5.465 6.204 -12.126 215 H LYS 30 HN LYS 30 4.208 4.532 -8.185 216 HA LYS 30 HA LYS 30 7.010 3.716 -8.472 217 HB2 LYS 30 HB2 LYS 30 5.587 4.728 -6.001 218 HB3 LYS 30 HB1 LYS 30 7.272 4.249 -6.102 219 HG2 LYS 30 HG2 LYS 30 6.157 6.502 -7.747 220 HG3 LYS 30 HG1 LYS 30 6.719 6.742 -6.099 221 HD2 LYS 30 HD2 LYS 30 8.416 5.600 -8.320 222 HD3 LYS 30 HD1 LYS 30 8.386 7.308 -7.885 223 HE2 LYS 30 HE2 LYS 30 9.061 6.636 -5.560 224 HE3 LYS 30 HE1 LYS 30 9.264 4.991 -6.157 225 HZ1 LYS 30 HZ1 LYS 30 10.952 5.914 -7.769 226 HZ2 LYS 30 HZ2 LYS 30 11.392 6.064 -6.179 227 HZ3 LYS 30 HZ3 LYS 30 10.787 7.404 -6.987 228 H SER 31 HN SER 31 7.373 1.637 -8.090 229 HA SER 31 HA SER 31 5.225 -0.097 -7.304 230 HB2 SER 31 HB2 SER 31 6.790 -0.559 -9.215 231 HB3 SER 31 HB1 SER 31 8.109 -0.682 -8.058 232 HG SER 31 HG SER 31 6.950 -2.637 -8.833 233 H PHE 32 HN PHE 32 5.125 -1.137 -5.405 234 HA PHE 32 HA PHE 32 6.150 -0.050 -3.072 235 HB2 PHE 32 HB2 PHE 32 5.113 -2.839 -3.490 236 HB3 PHE 32 HB1 PHE 32 5.520 -2.179 -1.917 237 HD1 PHE 32 HD1 PHE 32 4.306 -0.003 -1.268 238 HD2 PHE 32 HD2 PHE 32 3.004 -2.669 -4.301 239 HE1 PHE 32 HE1 PHE 32 2.021 0.855 -1.028 240 HE2 PHE 32 HE2 PHE 32 0.715 -1.808 -4.085 241 HZ PHE 32 HZ PHE 32 0.219 -0.049 -2.443 242 H THR 33 HN THR 33 7.087 -3.367 -4.041 243 HA THR 33 HA THR 33 9.381 -3.008 -2.348 244 HB THR 33 HB THR 33 9.807 -5.450 -2.798 245 HG1 THR 33 HG1 THR 33 8.374 -5.238 -4.863 246 HG21 THR 33 HG21 THR 33 8.552 -4.703 -0.831 247 HG22 THR 33 HG22 THR 33 7.902 -6.223 -1.448 248 HG23 THR 33 HG23 THR 33 7.061 -4.707 -1.775 249 H ASP 34 HN ASP 34 9.475 -1.444 -4.666 250 HA ASP 34 HA ASP 34 12.041 -2.381 -5.667 251 HB2 ASP 34 HB2 ASP 34 10.480 -3.237 -7.346 252 HB3 ASP 34 HB1 ASP 34 9.828 -1.614 -7.572 253 H ASP 35 HN ASP 35 9.667 0.208 -6.315 254 HA ASP 35 HA ASP 35 11.807 2.114 -6.617 255 HB2 ASP 35 HB2 ASP 35 8.806 2.484 -6.608 256 HB3 ASP 35 HB1 ASP 35 9.961 3.769 -6.893 257 H LEU 36 HN LEU 36 9.232 1.409 -4.369 258 HA LEU 36 HA LEU 36 9.888 3.620 -2.643 259 HB2 LEU 36 HB2 LEU 36 8.150 1.227 -2.085 260 HB3 LEU 36 HB1 LEU 36 8.164 2.738 -1.200 261 HG LEU 36 HG LEU 36 7.238 2.342 -4.033 262 HD11 LEU 36 HD11 LEU 36 5.044 2.900 -3.136 263 HD12 LEU 36 HD12 LEU 36 5.728 2.974 -1.511 264 HD13 LEU 36 HD13 LEU 36 5.700 1.444 -2.387 265 HD21 LEU 36 HD21 LEU 36 6.544 4.674 -3.905 266 HD22 LEU 36 HD22 LEU 36 8.288 4.476 -3.772 267 HD23 LEU 36 HD23 LEU 36 7.325 4.815 -2.325 268 H ASP 37 HN ASP 37 10.011 0.146 -2.478 269 HA ASP 37 HA ASP 37 11.091 -1.364 -1.314 270 HB2 ASP 37 HB2 ASP 37 13.236 -0.396 -2.001 271 HB3 ASP 37 HB1 ASP 37 13.145 0.785 -0.695 272 H VAL 38 HN VAL 38 9.699 -1.860 0.061 273 HA VAL 38 HA VAL 38 9.321 -0.111 2.406 274 HB VAL 38 HB VAL 38 7.377 -2.254 1.496 275 HG11 VAL 38 HG11 VAL 38 7.001 0.256 3.111 276 HG12 VAL 38 HG12 VAL 38 7.053 -1.393 3.731 277 HG13 VAL 38 HG13 VAL 38 5.731 -0.888 2.677 278 HG21 VAL 38 HG21 VAL 38 6.091 -0.541 0.294 279 HG22 VAL 38 HG22 VAL 38 7.686 -0.770 -0.420 280 HG23 VAL 38 HG23 VAL 38 7.371 0.633 0.602 281 H ASP 39 HN ASP 39 11.456 -1.826 2.114 282 HA ASP 39 HA ASP 39 12.757 -3.267 3.242 283 HB2 ASP 39 HB2 ASP 39 11.622 -2.158 5.247 284 HB3 ASP 39 HB1 ASP 39 10.524 -3.533 5.256 285 H SER 40 HN SER 40 10.185 -3.967 1.673 286 HA SER 40 HA SER 40 9.230 -5.646 0.643 287 HB2 SER 40 HB2 SER 40 11.328 -6.210 -0.197 288 HB3 SER 40 HB1 SER 40 11.874 -6.926 1.327 289 H LEU 41 HN LEU 41 10.630 -7.538 3.321 290 HA LEU 41 HA LEU 41 8.225 -8.994 3.555 291 HB2 LEU 41 HB2 LEU 41 9.212 -9.934 5.660 292 HB3 LEU 41 HB1 LEU 41 10.197 -10.120 4.232 293 HG LEU 41 HG LEU 41 11.554 -8.132 5.083 294 HD11 LEU 41 HD11 LEU 41 9.958 -7.261 6.673 295 HD12 LEU 41 HD12 LEU 41 11.478 -7.665 7.473 296 HD13 LEU 41 HD13 LEU 41 10.074 -8.731 7.638 297 HD21 LEU 41 HD21 LEU 41 11.501 -10.670 6.699 298 HD22 LEU 41 HD22 LEU 41 12.846 -9.526 6.614 299 HD23 LEU 41 HD23 LEU 41 12.353 -10.415 5.175 300 H SER 42 HN SER 42 9.367 -6.132 5.025 301 HA SER 42 HA SER 42 7.454 -6.043 7.103 302 HB2 SER 42 HB2 SER 42 9.175 -3.834 5.977 303 HB3 SER 42 HB1 SER 42 8.245 -3.746 7.472 304 HG SER 42 HG SER 42 10.636 -5.091 6.933 305 H MET 43 HN MET 43 7.119 -5.529 3.787 306 HA MET 43 HA MET 43 5.508 -3.299 3.826 307 HB2 MET 43 HB2 MET 43 4.831 -3.780 1.540 308 HB3 MET 43 HB1 MET 43 6.441 -4.377 1.697 309 HG2 MET 43 HG2 MET 43 5.219 -5.942 0.416 310 HG3 MET 43 HG1 MET 43 5.522 -6.681 1.984 311 HE1 MET 43 HE1 MET 43 3.693 -8.480 1.374 312 HE2 MET 43 HE2 MET 43 3.329 -7.680 -0.170 313 HE3 MET 43 HE3 MET 43 2.018 -8.102 0.952 314 H VAL 44 HN VAL 44 4.888 -6.563 4.666 315 HA VAL 44 HA VAL 44 2.109 -6.574 4.401 316 HB VAL 44 HB VAL 44 3.796 -8.375 6.183 317 HG11 VAL 44 HG11 VAL 44 1.951 -9.972 6.015 318 HG12 VAL 44 HG12 VAL 44 1.009 -8.791 5.102 319 HG13 VAL 44 HG13 VAL 44 1.428 -8.474 6.784 320 HG21 VAL 44 HG21 VAL 44 3.715 -9.953 4.313 321 HG22 VAL 44 HG22 VAL 44 4.489 -8.426 3.860 322 HG23 VAL 44 HG23 VAL 44 2.829 -8.765 3.355 323 H GLU 45 HN GLU 45 4.184 -5.279 6.805 324 HA GLU 45 HA GLU 45 2.149 -5.159 8.800 325 HB2 GLU 45 HB2 GLU 45 4.849 -3.798 8.689 326 HB3 GLU 45 HB1 GLU 45 3.776 -3.779 10.081 327 HG2 GLU 45 HG2 GLU 45 3.923 -6.273 10.128 328 HG3 GLU 45 HG1 GLU 45 5.135 -6.165 8.861 329 H VAL 46 HN VAL 46 3.309 -3.229 6.188 330 HA VAL 46 HA VAL 46 2.114 -0.729 6.876 331 HB VAL 46 HB VAL 46 2.680 -1.892 4.117 332 HG11 VAL 46 HG11 VAL 46 2.209 0.983 4.928 333 HG12 VAL 46 HG12 VAL 46 1.106 -0.019 3.992 334 HG13 VAL 46 HG13 VAL 46 2.667 0.434 3.319 335 HG21 VAL 46 HG21 VAL 46 4.674 -1.775 5.467 336 HG22 VAL 46 HG22 VAL 46 4.344 -0.086 5.845 337 HG23 VAL 46 HG23 VAL 46 4.726 -0.564 4.188 338 H VAL 47 HN VAL 47 1.125 -3.509 4.999 339 HA VAL 47 HA VAL 47 -1.295 -2.849 3.961 340 HB VAL 47 HB VAL 47 -0.687 -5.482 5.340 341 HG11 VAL 47 HG11 VAL 47 -2.282 -6.437 3.742 342 HG12 VAL 47 HG12 VAL 47 -2.629 -4.822 3.128 343 HG13 VAL 47 HG13 VAL 47 -3.046 -5.242 4.789 344 HG21 VAL 47 HG21 VAL 47 0.073 -6.238 3.136 345 HG22 VAL 47 HG22 VAL 47 1.049 -4.899 3.742 346 HG23 VAL 47 HG23 VAL 47 -0.167 -4.611 2.502 347 H VAL 48 HN VAL 48 -0.953 -4.372 7.162 348 HA VAL 48 HA VAL 48 -3.549 -4.280 8.072 349 HB VAL 48 HB VAL 48 -1.057 -3.840 9.738 350 HG11 VAL 48 HG11 VAL 48 -3.776 -4.880 10.542 351 HG12 VAL 48 HG12 VAL 48 -3.091 -3.318 10.985 352 HG13 VAL 48 HG13 VAL 48 -2.351 -4.803 11.579 353 HG21 VAL 48 HG21 VAL 48 -1.106 -6.257 10.055 354 HG22 VAL 48 HG22 VAL 48 -0.902 -5.825 8.358 355 HG23 VAL 48 HG23 VAL 48 -2.471 -6.375 8.947 356 H ALA 49 HN ALA 49 -1.120 -1.739 8.571 357 HA ALA 49 HA ALA 49 -2.935 -0.068 9.999 358 HB1 ALA 49 HB1 ALA 49 -0.276 0.666 8.786 359 HB2 ALA 49 HB2 ALA 49 -0.530 0.028 10.414 360 HB3 ALA 49 HB3 ALA 49 -1.188 1.606 9.972 361 H ALA 50 HN ALA 50 -1.984 -0.359 6.660 362 HA ALA 50 HA ALA 50 -3.241 2.023 5.765 363 HB1 ALA 50 HB1 ALA 50 -3.103 1.007 3.526 364 HB2 ALA 50 HB2 ALA 50 -2.672 -0.540 4.256 365 HB3 ALA 50 HB3 ALA 50 -1.574 0.834 4.389 366 H GLU 51 HN GLU 51 -4.250 -1.333 6.142 367 HA GLU 51 HA GLU 51 -6.847 -1.162 5.172 368 HB2 GLU 51 HB2 GLU 51 -5.818 -2.803 7.478 369 HB3 GLU 51 HB1 GLU 51 -7.376 -3.027 6.705 370 HG2 GLU 51 HG2 GLU 51 -6.243 -3.607 4.627 371 HG3 GLU 51 HG1 GLU 51 -4.683 -3.403 5.438 372 H GLU 52 HN GLU 52 -5.532 -0.653 8.356 373 HA GLU 52 HA GLU 52 -7.853 -0.042 9.740 374 HB2 GLU 52 HB2 GLU 52 -5.592 -0.581 10.683 375 HB3 GLU 52 HB1 GLU 52 -5.100 1.058 10.289 376 HG2 GLU 52 HG2 GLU 52 -5.683 0.887 12.619 377 HG3 GLU 52 HG1 GLU 52 -6.839 1.925 11.780 378 H ARG 53 HN ARG 53 -5.944 1.830 7.590 379 HA ARG 53 HA ARG 53 -6.940 4.410 8.443 380 HB2 ARG 53 HB2 ARG 53 -4.632 4.182 7.694 381 HB3 ARG 53 HB1 ARG 53 -5.180 3.622 6.124 382 HG2 ARG 53 HG2 ARG 53 -4.498 5.915 5.973 383 HG3 ARG 53 HG1 ARG 53 -6.245 5.813 5.755 384 HD2 ARG 53 HD2 ARG 53 -6.578 6.477 8.080 385 HD3 ARG 53 HD1 ARG 53 -4.829 6.561 8.309 386 HE ARG 53 HE ARG 53 -6.465 8.326 6.651 387 HH11 ARG 53 HH11 ARG 53 -3.442 7.686 8.416 388 HH12 ARG 53 HH12 ARG 53 -2.748 9.198 8.053 389 HH21 ARG 53 HH21 ARG 53 -5.501 10.403 6.153 390 HH22 ARG 53 HH22 ARG 53 -3.955 10.783 6.714 391 H PHE 54 HN PHE 54 -7.136 2.442 5.468 392 HA PHE 54 HA PHE 54 -9.030 4.321 4.278 393 HB2 PHE 54 HB2 PHE 54 -8.226 1.649 3.146 394 HB3 PHE 54 HB1 PHE 54 -8.872 3.033 2.285 395 HD1 PHE 54 HD1 PHE 54 -7.282 5.209 3.092 396 HD2 PHE 54 HD2 PHE 54 -6.108 1.193 2.395 397 HE1 PHE 54 HE1 PHE 54 -4.976 5.975 2.528 398 HE2 PHE 54 HE2 PHE 54 -3.827 1.925 1.846 399 HZ PHE 54 HZ PHE 54 -3.218 4.252 1.984 400 H ASP 55 HN ASP 55 -9.283 1.785 6.378 401 HA ASP 55 HA ASP 55 -10.871 0.386 7.126 402 HB2 ASP 55 HB2 ASP 55 -12.427 2.408 6.948 403 HB3 ASP 55 HB1 ASP 55 -12.817 1.850 5.320 404 H VAL 56 HN VAL 56 -9.323 0.045 4.745 405 HA VAL 56 HA VAL 56 -10.965 -1.608 3.048 406 HB VAL 56 HB VAL 56 -9.053 -0.118 2.153 407 HG11 VAL 56 HG11 VAL 56 -6.823 -1.081 2.020 408 HG12 VAL 56 HG12 VAL 56 -7.314 -2.360 3.107 409 HG13 VAL 56 HG13 VAL 56 -7.279 -0.681 3.683 410 HG21 VAL 56 HG21 VAL 56 -10.141 -1.717 0.714 411 HG22 VAL 56 HG22 VAL 56 -9.092 -3.003 1.310 412 HG23 VAL 56 HG23 VAL 56 -8.413 -1.673 0.373 413 H LYS 57 HN LYS 57 -9.991 -3.740 2.536 414 HA LYS 57 HA LYS 57 -8.833 -5.111 4.838 415 HB2 LYS 57 HB2 LYS 57 -11.513 -5.804 3.639 416 HB3 LYS 57 HB1 LYS 57 -10.457 -7.094 4.183 417 HG2 LYS 57 HG2 LYS 57 -12.027 -6.654 5.914 418 HG3 LYS 57 HG1 LYS 57 -10.462 -6.071 6.448 419 HD2 LYS 57 HD2 LYS 57 -12.165 -4.510 7.109 420 HD3 LYS 57 HD1 LYS 57 -11.180 -3.771 5.848 421 HE2 LYS 57 HE2 LYS 57 -12.879 -4.184 4.206 422 HE3 LYS 57 HE1 LYS 57 -13.827 -5.125 5.361 423 HZ1 LYS 57 HZ1 LYS 57 -14.111 -3.148 6.688 424 HZ2 LYS 57 HZ2 LYS 57 -14.714 -2.896 5.125 425 HZ3 LYS 57 HZ3 LYS 57 -13.238 -2.210 5.578 426 H ILE 58 HN ILE 58 -7.088 -5.926 4.055 427 HA ILE 58 HA ILE 58 -7.280 -7.449 1.588 428 HB ILE 58 HB ILE 58 -4.861 -5.649 1.988 429 HG12 ILE 58 HG12 ILE 58 -7.258 -5.016 0.229 430 HG13 ILE 58 HG11 ILE 58 -6.883 -4.183 1.731 431 HG21 ILE 58 HG21 ILE 58 -4.552 -6.117 -0.399 432 HG22 ILE 58 HG22 ILE 58 -6.078 -6.993 -0.415 433 HG23 ILE 58 HG23 ILE 58 -4.710 -7.634 0.509 434 HD11 ILE 58 HD11 ILE 58 -6.185 -2.886 -0.198 435 HD12 ILE 58 HD12 ILE 58 -5.162 -4.220 -0.739 436 HD13 ILE 58 HD13 ILE 58 -4.795 -3.379 0.769 437 HA PRO 59 HA PRO 59 -5.240 -9.894 4.865 438 HB2 PRO 59 HB2 PRO 59 -5.812 -12.047 2.903 439 HB3 PRO 59 HB1 PRO 59 -6.230 -11.931 4.620 440 HG2 PRO 59 HG2 PRO 59 -8.081 -11.666 2.698 441 HG3 PRO 59 HG1 PRO 59 -8.161 -10.780 4.231 442 HD2 PRO 59 HD2 PRO 59 -7.339 -9.833 1.527 443 HD3 PRO 59 HD1 PRO 59 -8.240 -8.981 2.801 444 H ASP 60 HN ASP 60 -3.239 -11.133 4.818 445 HA ASP 60 HA ASP 60 -1.317 -10.026 3.095 446 HB2 ASP 60 HB2 ASP 60 0.307 -11.616 3.922 447 HB3 ASP 60 HB1 ASP 60 -0.600 -10.902 5.254 448 H ASP 61 HN ASP 61 -2.990 -13.054 2.861 449 HA ASP 61 HA ASP 61 -1.479 -14.007 0.659 450 HB2 ASP 61 HB2 ASP 61 -2.756 -15.546 2.058 451 HB3 ASP 61 HB1 ASP 61 -4.261 -14.772 1.572 452 H ASP 62 HN ASP 62 -4.041 -11.764 0.927 453 HA ASP 62 HA ASP 62 -4.859 -11.959 -1.863 454 HB2 ASP 62 HB2 ASP 62 -6.419 -11.406 0.140 455 HB3 ASP 62 HB1 ASP 62 -5.616 -9.838 0.116 456 H VAL 63 HN VAL 63 -2.975 -9.844 0.300 457 HA VAL 63 HA VAL 63 -2.683 -7.740 -1.520 458 HB VAL 63 HB VAL 63 -2.464 -7.452 0.943 459 HG11 VAL 63 HG11 VAL 63 0.196 -8.774 0.619 460 HG12 VAL 63 HG12 VAL 63 -1.199 -9.386 1.501 461 HG13 VAL 63 HG13 VAL 63 -0.366 -7.933 2.069 462 HG21 VAL 63 HG21 VAL 63 -0.071 -6.509 -0.611 463 HG22 VAL 63 HG22 VAL 63 -0.628 -5.841 0.924 464 HG23 VAL 63 HG23 VAL 63 -1.637 -5.705 -0.517 465 H LYS 64 HN LYS 64 -1.142 -10.727 -1.346 466 HA LYS 64 HA LYS 64 1.446 -10.330 -2.197 467 HB2 LYS 64 HB2 LYS 64 -0.237 -12.598 -3.258 468 HB3 LYS 64 HB1 LYS 64 1.501 -12.563 -3.063 469 HG2 LYS 64 HG2 LYS 64 1.024 -12.362 -0.564 470 HG3 LYS 64 HG1 LYS 64 -0.629 -12.819 -0.980 471 HD2 LYS 64 HD2 LYS 64 1.893 -14.423 -1.420 472 HD3 LYS 64 HD1 LYS 64 0.547 -14.808 -0.358 473 HE2 LYS 64 HE2 LYS 64 0.393 -14.687 -3.376 474 HE3 LYS 64 HE1 LYS 64 0.627 -16.159 -2.450 475 HZ1 LYS 64 HZ1 LYS 64 -1.651 -15.876 -3.127 476 HZ2 LYS 64 HZ2 LYS 64 -1.790 -14.406 -2.310 477 HZ3 LYS 64 HZ3 LYS 64 -1.562 -15.838 -1.458 478 H ASN 65 HN ASN 65 -1.261 -9.389 -3.974 479 HA ASN 65 HA ASN 65 -0.159 -10.080 -6.593 480 HB2 ASN 65 HB2 ASN 65 -2.934 -9.188 -5.820 481 HB3 ASN 65 HB1 ASN 65 -2.396 -9.585 -7.443 482 HD21 ASN 65 HD21 ASN 65 -3.460 -10.824 -4.383 483 HD22 ASN 65 HD22 ASN 65 -3.521 -12.479 -4.869 484 H LEU 66 HN LEU 66 0.292 -7.573 -4.602 485 HA LEU 66 HA LEU 66 -0.582 -5.520 -6.449 486 HB2 LEU 66 HB2 LEU 66 0.856 -5.158 -3.822 487 HB3 LEU 66 HB1 LEU 66 0.098 -3.901 -4.776 488 HG LEU 66 HG LEU 66 -1.226 -6.083 -3.193 489 HD11 LEU 66 HD11 LEU 66 -2.319 -4.243 -2.070 490 HD12 LEU 66 HD12 LEU 66 -1.404 -3.096 -3.056 491 HD13 LEU 66 HD13 LEU 66 -0.565 -4.170 -1.930 492 HD21 LEU 66 HD21 LEU 66 -2.390 -5.890 -5.335 493 HD22 LEU 66 HD22 LEU 66 -2.601 -4.151 -5.067 494 HD23 LEU 66 HD23 LEU 66 -3.365 -5.323 -3.986 495 H LYS 67 HN LYS 67 1.000 -3.663 -6.889 496 HA LYS 67 HA LYS 67 3.699 -4.613 -7.341 497 HB2 LYS 67 HB2 LYS 67 2.488 -5.134 -9.369 498 HB3 LYS 67 HB1 LYS 67 1.787 -3.529 -9.402 499 HG2 LYS 67 HG2 LYS 67 4.189 -2.693 -9.608 500 HG3 LYS 67 HG1 LYS 67 4.581 -4.371 -10.013 501 HD2 LYS 67 HD2 LYS 67 2.938 -4.335 -11.809 502 HD3 LYS 67 HD1 LYS 67 2.523 -2.668 -11.364 503 HE2 LYS 67 HE2 LYS 67 4.724 -1.947 -11.863 504 HE3 LYS 67 HE1 LYS 67 5.226 -3.596 -12.251 505 HZ1 LYS 67 HZ1 LYS 67 4.733 -2.416 -14.298 506 HZ2 LYS 67 HZ2 LYS 67 3.201 -1.974 -13.722 507 HZ3 LYS 67 HZ3 LYS 67 3.533 -3.585 -14.043 508 H THR 68 HN THR 68 1.811 -1.810 -8.537 509 HA THR 68 HA THR 68 3.649 -0.078 -7.055 510 HB THR 68 HB THR 68 2.960 1.701 -8.594 511 HG1 THR 68 HG1 THR 68 1.300 -0.284 -9.831 512 HG21 THR 68 HG21 THR 68 3.829 0.825 -10.723 513 HG22 THR 68 HG22 THR 68 3.636 -0.821 -10.118 514 HG23 THR 68 HG23 THR 68 4.796 0.270 -9.358 515 H VAL 69 HN VAL 69 2.293 2.137 -6.630 516 HA VAL 69 HA VAL 69 0.036 1.178 -5.201 517 HB VAL 69 HB VAL 69 -0.327 3.291 -4.184 518 HG11 VAL 69 HG11 VAL 69 1.790 3.719 -3.105 519 HG12 VAL 69 HG12 VAL 69 2.581 2.667 -4.297 520 HG13 VAL 69 HG13 VAL 69 1.338 2.022 -3.209 521 HG21 VAL 69 HG21 VAL 69 0.986 5.274 -4.676 522 HG22 VAL 69 HG22 VAL 69 -0.010 4.760 -6.033 523 HG23 VAL 69 HG23 VAL 69 1.723 4.429 -6.036 524 H GLY 70 HN GLY 70 0.553 2.164 -8.302 525 HA2 GLY 70 HA2 GLY 70 -1.937 3.401 -8.852 526 HA3 GLY 70 HA1 GLY 70 -0.901 2.558 -10.013 527 H ASP 71 HN ASP 71 -0.663 0.163 -8.948 528 HA ASP 71 HA ASP 71 -2.974 -1.328 -9.560 529 HB2 ASP 71 HB2 ASP 71 -0.700 -2.102 -7.704 530 HB3 ASP 71 HB1 ASP 71 -1.850 -3.217 -8.407 531 H ALA 72 HN ALA 72 -1.455 -0.497 -6.496 532 HA ALA 72 HA ALA 72 -3.274 -1.670 -4.769 533 HB1 ALA 72 HB1 ALA 72 -2.347 -0.346 -3.014 534 HB2 ALA 72 HB2 ALA 72 -1.703 0.811 -4.168 535 HB3 ALA 72 HB3 ALA 72 -1.046 -0.831 -4.105 536 H THR 73 HN THR 73 -3.319 1.628 -6.057 537 HA THR 73 HA THR 73 -5.390 2.570 -4.522 538 HB THR 73 HB THR 73 -4.726 3.342 -7.382 539 HG1 THR 73 HG1 THR 73 -3.020 3.654 -5.868 540 HG21 THR 73 HG21 THR 73 -5.861 5.471 -6.852 541 HG22 THR 73 HG22 THR 73 -6.313 4.831 -5.274 542 HG23 THR 73 HG23 THR 73 -6.977 4.110 -6.739 543 H LYS 74 HN LYS 74 -5.549 1.004 -7.722 544 HA LYS 74 HA LYS 74 -8.367 1.165 -8.050 545 HB2 LYS 74 HB2 LYS 74 -6.628 -1.021 -9.179 546 HB3 LYS 74 HB1 LYS 74 -8.111 -0.373 -9.845 547 HG2 LYS 74 HG2 LYS 74 -5.400 0.918 -9.785 548 HG3 LYS 74 HG1 LYS 74 -6.301 0.360 -11.191 549 HD2 LYS 74 HD2 LYS 74 -8.045 2.091 -10.591 550 HD3 LYS 74 HD1 LYS 74 -6.869 2.683 -9.397 551 HE2 LYS 74 HE2 LYS 74 -6.390 2.467 -12.381 552 HE3 LYS 74 HE1 LYS 74 -6.760 3.956 -11.517 553 HZ1 LYS 74 HZ1 LYS 74 -4.406 3.755 -11.922 554 HZ2 LYS 74 HZ2 LYS 74 -4.321 2.274 -11.140 555 HZ3 LYS 74 HZ3 LYS 74 -4.721 3.701 -10.272 556 H TYR 75 HN TYR 75 -6.243 -1.010 -6.506 557 HA TYR 75 HA TYR 75 -7.973 -3.263 -6.247 558 HB2 TYR 75 HB2 TYR 75 -5.412 -3.098 -6.321 559 HB3 TYR 75 HB1 TYR 75 -5.530 -2.649 -4.630 560 HD1 TYR 75 HD1 TYR 75 -6.134 -5.286 -7.083 561 HD2 TYR 75 HD2 TYR 75 -5.904 -4.296 -2.964 562 HE1 TYR 75 HE1 TYR 75 -6.061 -7.659 -6.542 563 HE2 TYR 75 HE2 TYR 75 -5.846 -6.639 -2.374 564 HH TYR 75 HH TYR 75 -6.322 -8.791 -3.299 565 H ILE 76 HN ILE 76 -6.720 -0.776 -4.064 566 HA ILE 76 HA ILE 76 -8.148 -1.589 -1.777 567 HB ILE 76 HB ILE 76 -6.840 1.049 -2.497 568 HG12 ILE 76 HG12 ILE 76 -6.003 -1.159 -0.602 569 HG13 ILE 76 HG11 ILE 76 -5.360 -0.910 -2.217 570 HG21 ILE 76 HG21 ILE 76 -8.624 1.494 -0.897 571 HG22 ILE 76 HG22 ILE 76 -7.043 1.692 -0.132 572 HG23 ILE 76 HG23 ILE 76 -7.999 0.240 0.175 573 HD11 ILE 76 HD11 ILE 76 -3.845 -0.089 -0.515 574 HD12 ILE 76 HD12 ILE 76 -5.104 0.981 0.107 575 HD13 ILE 76 HD13 ILE 76 -4.447 1.241 -1.510 576 H LEU 77 HN LEU 77 -8.865 0.735 -4.336 577 HA LEU 77 HA LEU 77 -11.116 1.857 -3.235 578 HB2 LEU 77 HB2 LEU 77 -10.463 1.315 -6.116 579 HB3 LEU 77 HB1 LEU 77 -11.890 2.207 -5.632 580 HG LEU 77 HG LEU 77 -9.064 3.029 -4.983 581 HD11 LEU 77 HD11 LEU 77 -10.963 4.055 -7.082 582 HD12 LEU 77 HD12 LEU 77 -9.492 3.125 -7.376 583 HD13 LEU 77 HD13 LEU 77 -9.391 4.744 -6.682 584 HD21 LEU 77 HD21 LEU 77 -10.101 5.151 -4.365 585 HD22 LEU 77 HD22 LEU 77 -10.717 3.824 -3.381 586 HD23 LEU 77 HD23 LEU 77 -11.696 4.472 -4.697 587 H ASP 78 HN ASP 78 -10.769 -1.159 -4.947 588 HA ASP 78 HA ASP 78 -13.613 -1.674 -4.953 589 HB2 ASP 78 HB2 ASP 78 -12.403 -2.446 -6.868 590 HB3 ASP 78 HB1 ASP 78 -11.256 -3.321 -5.861 591 H HIS 79 HN HIS 79 -10.759 -2.852 -3.256 592 HA HIS 79 HA HIS 79 -12.155 -4.832 -1.736 593 HB2 HIS 79 HB2 HIS 79 -9.438 -3.975 -2.009 594 HB3 HIS 79 HB1 HIS 79 -9.850 -4.168 -0.311 595 HD1 HIS 79 HD1 HIS 79 -11.172 -6.680 0.121 596 HD2 HIS 79 HD2 HIS 79 -8.560 -6.248 -3.086 597 HE1 HIS 79 HE1 HIS 79 -10.469 -8.974 -0.483 598 HE2 HIS 79 HE2 HIS 79 -8.523 -8.548 -2.005 599 H GLN 80 HN GLN 80 -12.168 -1.461 -1.383 600 HA GLN 80 HA GLN 80 -12.349 -1.672 1.469 601 HB2 GLN 80 HB2 GLN 80 -12.553 0.753 1.581 602 HB3 GLN 80 HB1 GLN 80 -11.160 0.232 0.650 603 HG2 GLN 80 HG2 GLN 80 -12.398 0.747 -1.435 604 HG3 GLN 80 HG1 GLN 80 -13.754 1.313 -0.466 605 HE21 GLN 80 HE21 GLN 80 -10.381 1.873 0.300 606 HE22 GLN 80 HE22 GLN 80 -10.411 3.580 0.027 607 H ALA 81 HN ALA 81 -13.958 -2.911 1.769 608 HA ALA 81 HA ALA 81 -16.581 -1.677 1.743 609 HB1 ALA 81 HB1 ALA 81 -16.023 -4.447 0.632 610 HB2 ALA 81 HB2 ALA 81 -16.544 -3.048 -0.305 611 HB3 ALA 81 HB3 ALA 81 -17.624 -3.756 0.895 612 H2 SOO 101 H2A SOO 101 4.425 -4.525 -1.344 613 H3 SOO 101 H3A SOO 101 1.371 -4.965 -1.556 614 H4 SOO 101 H4A SOO 101 2.887 -3.678 0.623 615 H4A SOO 101 H4B SOO 101 2.722 -2.522 -0.702 616 H5 SOO 101 H5A SOO 101 0.469 -3.975 0.673 617 H5A SOO 101 H5B SOO 101 0.294 -2.829 -0.658 618 H6 SOO 101 H6A SOO 101 1.254 -1.062 0.725 619 H6A SOO 101 H6B SOO 101 1.446 -2.201 2.059 620 H7 SOO 101 H7A SOO 101 -0.559 -0.830 2.380 621 H7A SOO 101 H7B SOO 101 -1.003 -2.525 2.118 622 H8 SOO 101 H8C SOO 101 -1.037 -0.328 0.040 623 H8A SOO 101 H8A SOO 101 -2.449 -1.016 0.843 624 H8B SOO 101 H8B SOO 101 -1.472 -2.014 -0.239 625 H28 SOO 101 H28A SOO 101 9.790 -11.007 2.323 626 H28A SOO 101 H28B SOO 101 9.200 -9.450 1.742 627 H30 SOO 101 H30A SOO 101 6.948 -9.966 2.276 628 H30A SOO 101 H30B SOO 101 7.457 -11.517 2.951 629 H30B SOO 101 H30C SOO 101 6.189 -11.456 1.723 630 H31 SOO 101 H31A SOO 101 8.342 -10.584 -1.135 631 H31A SOO 101 H31B SOO 101 7.886 -9.293 -0.073 632 H31B SOO 101 H31C SOO 101 6.668 -10.470 -0.522 633 H32 SOO 101 H32A SOO 101 9.026 -12.728 -0.304 634 HO33 SOO 101 H33A SOO 101 8.872 -14.217 1.671 635 HN36 SOO 101 H36A SOO 101 6.505 -12.208 -0.863 636 H37 SOO 101 H37A SOO 101 5.092 -14.169 -1.692 637 H37A SOO 101 H37B SOO 101 4.765 -14.382 0.034 638 H38 SOO 101 H38A SOO 101 2.994 -13.093 -1.029 639 H38A SOO 101 H38B SOO 101 3.867 -12.116 0.154 640 HN41 SOO 101 H41A SOO 101 3.366 -10.187 -0.712 641 H42 SOO 101 H42A SOO 101 4.308 -9.563 -3.409 642 H42A SOO 101 H42B SOO 101 3.008 -8.719 -2.568 643 H43 SOO 101 H43A SOO 101 5.947 -8.689 -1.844 644 H43A SOO 101 H43B SOO 101 4.649 -7.910 -0.930 Start of MODEL 11 1 H1 ALA 1 HT1 ALA 1 -15.730 5.261 2.145 2 H2 ALA 1 HT2 ALA 1 -14.469 4.200 2.358 3 H3 ALA 1 HT3 ALA 1 -15.899 3.648 1.629 4 HA ALA 1 HA ALA 1 -14.176 3.989 -0.007 5 HB1 ALA 1 HB1 ALA 1 -16.474 4.526 -0.671 6 HB2 ALA 1 HB2 ALA 1 -15.308 5.571 -1.482 7 HB3 ALA 1 HB3 ALA 1 -16.243 6.186 -0.120 8 H ALA 2 HN ALA 2 -12.714 5.437 -1.040 9 HA ALA 2 HA ALA 2 -12.057 7.958 0.228 10 HB1 ALA 2 HB1 ALA 2 -10.110 5.644 -0.021 11 HB2 ALA 2 HB2 ALA 2 -10.706 6.331 1.488 12 HB3 ALA 2 HB3 ALA 2 -9.670 7.292 0.428 13 H THR 3 HN THR 3 -10.065 8.856 -1.235 14 HA THR 3 HA THR 3 -10.731 8.049 -3.966 15 HB THR 3 HB THR 3 -10.009 10.257 -4.705 16 HG1 THR 3 HG1 THR 3 -9.535 10.940 -1.983 17 HG21 THR 3 HG21 THR 3 -12.315 10.104 -3.863 18 HG22 THR 3 HG22 THR 3 -11.616 11.695 -3.539 19 HG23 THR 3 HG23 THR 3 -11.734 10.504 -2.244 20 H GLN 4 HN GLN 4 -8.616 8.895 -5.401 21 HA GLN 4 HA GLN 4 -6.582 7.072 -4.794 22 HB2 GLN 4 HB2 GLN 4 -7.195 7.611 -7.046 23 HB3 GLN 4 HB1 GLN 4 -6.884 9.302 -6.812 24 HG2 GLN 4 HG2 GLN 4 -4.584 7.478 -6.434 25 HG3 GLN 4 HG1 GLN 4 -5.212 7.618 -8.073 26 HE21 GLN 4 HE21 GLN 4 -3.571 9.262 -5.480 27 HE22 GLN 4 HE22 GLN 4 -3.064 10.611 -6.444 28 H GLU 5 HN GLU 5 -7.107 10.432 -4.156 29 HA GLU 5 HA GLU 5 -4.446 11.048 -3.431 30 HB2 GLU 5 HB2 GLU 5 -6.117 12.791 -4.000 31 HB3 GLU 5 HB1 GLU 5 -6.973 12.429 -2.507 32 HG2 GLU 5 HG2 GLU 5 -5.038 13.135 -1.211 33 HG3 GLU 5 HG1 GLU 5 -4.151 13.463 -2.698 34 H GLU 6 HN GLU 6 -7.232 9.917 -1.484 35 HA GLU 6 HA GLU 6 -5.905 10.111 0.997 36 HB2 GLU 6 HB2 GLU 6 -8.223 8.391 0.151 37 HB3 GLU 6 HB1 GLU 6 -7.499 8.206 1.737 38 HG2 GLU 6 HG2 GLU 6 -9.445 9.582 1.887 39 HG3 GLU 6 HG1 GLU 6 -8.017 10.554 2.216 40 H ILE 7 HN ILE 7 -6.152 7.527 -1.317 41 HA ILE 7 HA ILE 7 -4.804 5.578 0.172 42 HB ILE 7 HB ILE 7 -5.133 5.884 -2.822 43 HG12 ILE 7 HG12 ILE 7 -6.543 4.174 -0.767 44 HG13 ILE 7 HG11 ILE 7 -7.186 5.639 -1.495 45 HG21 ILE 7 HG21 ILE 7 -3.175 4.464 -2.353 46 HG22 ILE 7 HG22 ILE 7 -4.510 3.506 -2.989 47 HG23 ILE 7 HG23 ILE 7 -4.150 3.477 -1.262 48 HD11 ILE 7 HD11 ILE 7 -6.506 3.108 -2.957 49 HD12 ILE 7 HD12 ILE 7 -7.222 4.564 -3.657 50 HD13 ILE 7 HD13 ILE 7 -8.119 3.619 -2.471 51 H VAL 8 HN VAL 8 -3.529 7.467 -2.549 52 HA VAL 8 HA VAL 8 -0.887 6.640 -2.318 53 HB VAL 8 HB VAL 8 -2.052 9.198 -3.454 54 HG11 VAL 8 HG11 VAL 8 0.705 8.030 -3.880 55 HG12 VAL 8 HG12 VAL 8 0.339 9.518 -3.004 56 HG13 VAL 8 HG13 VAL 8 0.014 9.410 -4.739 57 HG21 VAL 8 HG21 VAL 8 -2.869 7.163 -4.469 58 HG22 VAL 8 HG22 VAL 8 -1.222 6.593 -4.719 59 HG23 VAL 8 HG23 VAL 8 -1.804 8.014 -5.587 60 H ALA 9 HN ALA 9 -2.320 9.651 -1.019 61 HA ALA 9 HA ALA 9 0.081 10.497 0.223 62 HB1 ALA 9 HB1 ALA 9 -2.748 11.307 0.882 63 HB2 ALA 9 HB2 ALA 9 -1.739 12.044 -0.359 64 HB3 ALA 9 HB3 ALA 9 -1.283 12.171 1.346 65 H GLY 10 HN GLY 10 -2.760 8.747 1.476 66 HA2 GLY 10 HA2 GLY 10 -1.960 8.732 4.178 67 HA3 GLY 10 HA1 GLY 10 -3.142 7.667 3.431 68 H LEU 11 HN LEU 11 -1.481 6.463 1.524 69 HA LEU 11 HA LEU 11 -0.342 4.355 2.895 70 HB2 LEU 11 HB2 LEU 11 -0.487 5.275 0.183 71 HB3 LEU 11 HB1 LEU 11 1.062 4.518 0.491 72 HG LEU 11 HG LEU 11 -1.654 3.276 0.980 73 HD11 LEU 11 HD11 LEU 11 -1.098 1.839 -0.910 74 HD12 LEU 11 HD12 LEU 11 0.397 2.738 -1.164 75 HD13 LEU 11 HD13 LEU 11 -1.163 3.532 -1.395 76 HD21 LEU 11 HD21 LEU 11 0.043 2.489 2.543 77 HD22 LEU 11 HD22 LEU 11 1.129 2.140 1.212 78 HD23 LEU 11 HD23 LEU 11 -0.370 1.219 1.388 79 H ALA 12 HN ALA 12 1.084 7.264 1.650 80 HA ALA 12 HA ALA 12 3.740 6.507 2.144 81 HB1 ALA 12 HB1 ALA 12 2.654 9.284 1.942 82 HB2 ALA 12 HB2 ALA 12 3.030 8.219 0.577 83 HB3 ALA 12 HB3 ALA 12 4.314 8.720 1.675 84 H GLU 13 HN GLU 13 1.295 7.897 4.148 85 HA GLU 13 HA GLU 13 3.002 8.804 6.239 86 HB2 GLU 13 HB2 GLU 13 0.132 7.860 6.362 87 HB3 GLU 13 HB1 GLU 13 0.979 8.655 7.675 88 HG2 GLU 13 HG2 GLU 13 1.235 10.646 6.206 89 HG3 GLU 13 HG1 GLU 13 0.223 9.828 5.012 90 H ILE 14 HN ILE 14 1.124 5.876 5.756 91 HA ILE 14 HA ILE 14 2.111 4.493 8.003 92 HB ILE 14 HB ILE 14 0.771 3.499 5.462 93 HG12 ILE 14 HG12 ILE 14 -1.045 2.800 7.060 94 HG13 ILE 14 HG11 ILE 14 -0.148 3.572 8.350 95 HG21 ILE 14 HG21 ILE 14 2.289 1.747 6.123 96 HG22 ILE 14 HG22 ILE 14 0.623 1.263 6.441 97 HG23 ILE 14 HG23 ILE 14 1.657 1.785 7.769 98 HD11 ILE 14 HD11 ILE 14 -2.000 4.935 7.594 99 HD12 ILE 14 HD12 ILE 14 -1.342 4.944 5.955 100 HD13 ILE 14 HD13 ILE 14 -0.461 5.730 7.264 101 H VAL 15 HN VAL 15 3.131 4.474 4.613 102 HA VAL 15 HA VAL 15 5.215 2.642 4.921 103 HB VAL 15 HB VAL 15 4.821 4.836 2.857 104 HG11 VAL 15 HG11 VAL 15 6.538 3.738 1.506 105 HG12 VAL 15 HG12 VAL 15 6.909 2.654 2.857 106 HG13 VAL 15 HG13 VAL 15 7.191 4.394 3.005 107 HG21 VAL 15 HG21 VAL 15 4.504 1.842 2.725 108 HG22 VAL 15 HG22 VAL 15 4.258 2.966 1.385 109 HG23 VAL 15 HG23 VAL 15 3.200 3.029 2.797 110 H ASN 16 HN ASN 16 5.007 5.937 5.804 111 HA ASN 16 HA ASN 16 7.845 6.384 5.891 112 HB2 ASN 16 HB2 ASN 16 6.092 8.186 5.527 113 HB3 ASN 16 HB1 ASN 16 5.732 8.056 7.243 114 HD21 ASN 16 HD21 ASN 16 8.095 8.908 4.891 115 HD22 ASN 16 HD22 ASN 16 9.092 9.898 5.888 116 H GLU 17 HN GLU 17 5.356 5.435 8.154 117 HA GLU 17 HA GLU 17 7.235 5.511 10.329 118 HB2 GLU 17 HB2 GLU 17 5.394 4.451 11.649 119 HB3 GLU 17 HB1 GLU 17 5.008 6.046 10.995 120 HG2 GLU 17 HG2 GLU 17 3.750 4.867 9.202 121 HG3 GLU 17 HG1 GLU 17 4.106 3.347 10.021 122 H ILE 18 HN ILE 18 5.725 2.999 8.375 123 HA ILE 18 HA ILE 18 6.824 0.791 9.819 124 HB ILE 18 HB ILE 18 5.917 0.879 6.932 125 HG12 ILE 18 HG12 ILE 18 4.184 1.641 8.586 126 HG13 ILE 18 HG11 ILE 18 3.719 0.238 7.654 127 HG21 ILE 18 HG21 ILE 18 5.543 -1.542 7.202 128 HG22 ILE 18 HG22 ILE 18 6.225 -1.458 8.827 129 HG23 ILE 18 HG23 ILE 18 7.236 -1.101 7.426 130 HD11 ILE 18 HD11 ILE 18 3.014 0.022 9.907 131 HD12 ILE 18 HD12 ILE 18 4.661 0.267 10.517 132 HD13 ILE 18 HD13 ILE 18 4.253 -1.178 9.566 133 H ALA 19 HN ALA 19 7.738 2.302 6.693 134 HA ALA 19 HA ALA 19 10.226 0.743 6.760 135 HB1 ALA 19 HB1 ALA 19 8.990 2.236 4.456 136 HB2 ALA 19 HB2 ALA 19 8.855 0.503 4.748 137 HB3 ALA 19 HB3 ALA 19 10.425 1.215 4.389 138 H GLY 20 HN GLY 20 9.035 4.008 6.311 139 HA2 GLY 20 HA2 GLY 20 10.215 5.897 7.198 140 HA3 GLY 20 HA1 GLY 20 11.717 4.986 7.035 141 H ILE 21 HN ILE 21 9.202 5.184 4.630 142 HA ILE 21 HA ILE 21 11.132 6.409 2.810 143 HB ILE 21 HB ILE 21 8.611 4.801 2.267 144 HG12 ILE 21 HG12 ILE 21 10.406 3.387 3.017 145 HG13 ILE 21 HG11 ILE 21 10.177 3.136 1.292 146 HG21 ILE 21 HG21 ILE 21 8.842 6.468 0.524 147 HG22 ILE 21 HG22 ILE 21 9.185 4.859 -0.111 148 HG23 ILE 21 HG23 ILE 21 10.510 5.969 0.242 149 HD11 ILE 21 HD11 ILE 21 12.344 4.799 2.570 150 HD12 ILE 21 HD12 ILE 21 12.124 4.560 0.837 151 HD13 ILE 21 HD13 ILE 21 12.540 3.193 1.869 152 HA PRO 22 HA PRO 22 9.373 10.413 3.008 153 HB2 PRO 22 HB2 PRO 22 9.323 10.587 0.126 154 HB3 PRO 22 HB1 PRO 22 10.389 11.401 1.273 155 HG2 PRO 22 HG2 PRO 22 10.858 8.993 -0.320 156 HG3 PRO 22 HG1 PRO 22 12.028 10.032 0.512 157 HD2 PRO 22 HD2 PRO 22 11.426 7.512 1.315 158 HD3 PRO 22 HD1 PRO 22 11.927 8.779 2.447 159 H VAL 23 HN VAL 23 7.501 11.317 3.029 160 HA VAL 23 HA VAL 23 5.130 9.818 2.471 161 HB VAL 23 HB VAL 23 3.930 11.781 3.399 162 HG11 VAL 23 HG11 VAL 23 4.856 11.640 5.652 163 HG12 VAL 23 HG12 VAL 23 6.317 10.888 5.004 164 HG13 VAL 23 HG13 VAL 23 4.771 10.048 4.895 165 HG21 VAL 23 HG21 VAL 23 5.341 13.507 2.521 166 HG22 VAL 23 HG22 VAL 23 6.698 12.899 3.434 167 HG23 VAL 23 HG23 VAL 23 5.330 13.653 4.296 168 H GLU 24 HN GLU 24 6.801 11.015 0.256 169 HA GLU 24 HA GLU 24 4.591 11.981 -1.376 170 HB2 GLU 24 HB2 GLU 24 6.112 13.790 -2.257 171 HB3 GLU 24 HB1 GLU 24 5.519 14.034 -0.619 172 HG2 GLU 24 HG2 GLU 24 7.634 13.283 0.292 173 HG3 GLU 24 HG1 GLU 24 8.230 12.935 -1.326 174 H ASP 25 HN ASP 25 6.593 9.665 -0.963 175 HA ASP 25 HA ASP 25 7.642 9.641 -3.704 176 HB2 ASP 25 HB2 ASP 25 9.371 9.740 -1.998 177 HB3 ASP 25 HB1 ASP 25 8.745 8.307 -1.229 178 H VAL 26 HN VAL 26 5.415 8.222 -1.584 179 HA VAL 26 HA VAL 26 5.452 5.619 -2.846 180 HB VAL 26 HB VAL 26 3.585 6.775 -0.730 181 HG11 VAL 26 HG11 VAL 26 4.097 3.898 -1.478 182 HG12 VAL 26 HG12 VAL 26 2.641 4.824 -1.839 183 HG13 VAL 26 HG13 VAL 26 3.063 4.459 -0.164 184 HG21 VAL 26 HG21 VAL 26 4.938 5.576 0.923 185 HG22 VAL 26 HG22 VAL 26 5.859 6.820 0.081 186 HG23 VAL 26 HG23 VAL 26 6.076 5.125 -0.347 187 H LYS 27 HN LYS 27 5.109 6.930 -4.825 188 HA LYS 27 HA LYS 27 2.402 7.957 -5.150 189 HB2 LYS 27 HB2 LYS 27 4.877 8.370 -6.817 190 HB3 LYS 27 HB1 LYS 27 3.294 9.054 -7.174 191 HG2 LYS 27 HG2 LYS 27 3.323 10.288 -5.088 192 HG3 LYS 27 HG1 LYS 27 4.881 9.583 -4.677 193 HD2 LYS 27 HD2 LYS 27 5.295 11.786 -5.487 194 HD3 LYS 27 HD1 LYS 27 5.814 10.669 -6.739 195 HE2 LYS 27 HE2 LYS 27 3.156 12.110 -6.734 196 HE3 LYS 27 HE1 LYS 27 4.590 12.704 -7.555 197 HZ1 LYS 27 HZ1 LYS 27 3.116 11.605 -9.064 198 HZ2 LYS 27 HZ2 LYS 27 3.096 10.200 -8.176 199 HZ3 LYS 27 HZ3 LYS 27 4.518 10.680 -8.975 200 H LEU 28 HN LEU 28 1.572 7.734 -7.506 201 HA LEU 28 HA LEU 28 0.549 5.217 -7.711 202 HB2 LEU 28 HB2 LEU 28 0.759 7.322 -9.841 203 HB3 LEU 28 HB1 LEU 28 -0.162 5.845 -10.037 204 HG LEU 28 HG LEU 28 -0.690 7.942 -7.919 205 HD11 LEU 28 HD11 LEU 28 -2.715 8.411 -9.190 206 HD12 LEU 28 HD12 LEU 28 -2.198 7.283 -10.441 207 HD13 LEU 28 HD13 LEU 28 -1.266 8.758 -10.139 208 HD21 LEU 28 HD21 LEU 28 -1.301 5.701 -7.214 209 HD22 LEU 28 HD22 LEU 28 -2.241 5.479 -8.689 210 HD23 LEU 28 HD23 LEU 28 -2.725 6.694 -7.500 211 H ASP 29 HN ASP 29 3.372 6.374 -9.471 212 HA ASP 29 HA ASP 29 3.498 3.815 -10.891 213 HB2 ASP 29 HB2 ASP 29 5.028 6.391 -11.291 214 HB3 ASP 29 HB1 ASP 29 5.274 4.928 -12.239 215 H LYS 30 HN LYS 30 4.220 4.233 -7.980 216 HA LYS 30 HA LYS 30 7.044 3.506 -8.156 217 HB2 LYS 30 HB2 LYS 30 5.505 4.712 -5.838 218 HB3 LYS 30 HB1 LYS 30 7.216 4.304 -5.833 219 HG2 LYS 30 HG2 LYS 30 5.994 6.322 -7.714 220 HG3 LYS 30 HG1 LYS 30 6.700 6.739 -6.156 221 HD2 LYS 30 HD2 LYS 30 8.189 5.282 -8.338 222 HD3 LYS 30 HD1 LYS 30 8.220 7.037 -8.139 223 HE2 LYS 30 HE2 LYS 30 9.169 6.807 -5.931 224 HE3 LYS 30 HE1 LYS 30 9.026 5.054 -6.016 225 HZ1 LYS 30 HZ1 LYS 30 10.728 6.709 -7.800 226 HZ2 LYS 30 HZ2 LYS 30 10.662 5.006 -7.763 227 HZ3 LYS 30 HZ3 LYS 30 11.249 5.871 -6.420 228 H SER 31 HN SER 31 7.499 1.488 -7.639 229 HA SER 31 HA SER 31 5.370 -0.243 -6.750 230 HB2 SER 31 HB2 SER 31 6.838 -0.874 -8.648 231 HB3 SER 31 HB1 SER 31 8.231 -0.833 -7.575 232 HG SER 31 HG SER 31 6.033 -2.495 -6.917 233 H PHE 32 HN PHE 32 5.310 -1.235 -4.826 234 HA PHE 32 HA PHE 32 6.489 -0.076 -2.575 235 HB2 PHE 32 HB2 PHE 32 5.201 -2.732 -3.002 236 HB3 PHE 32 HB1 PHE 32 5.755 -2.223 -1.423 237 HD1 PHE 32 HD1 PHE 32 4.646 -0.201 -0.389 238 HD2 PHE 32 HD2 PHE 32 3.200 -2.002 -3.961 239 HE1 PHE 32 HE1 PHE 32 2.505 0.960 -0.104 240 HE2 PHE 32 HE2 PHE 32 1.052 -0.843 -3.678 241 HZ PHE 32 HZ PHE 32 0.671 0.569 -1.732 242 H THR 33 HN THR 33 7.028 -3.336 -3.807 243 HA THR 33 HA THR 33 9.461 -3.380 -2.284 244 HB THR 33 HB THR 33 8.051 -5.637 -3.754 245 HG1 THR 33 HG1 THR 33 6.674 -5.454 -2.142 246 HG21 THR 33 HG21 THR 33 9.304 -7.025 -2.206 247 HG22 THR 33 HG22 THR 33 9.974 -5.556 -1.475 248 HG23 THR 33 HG23 THR 33 10.420 -5.998 -3.139 249 H ASP 34 HN ASP 34 10.055 -1.695 -3.958 250 HA ASP 34 HA ASP 34 12.157 -2.715 -5.526 251 HB2 ASP 34 HB2 ASP 34 10.246 -3.241 -7.094 252 HB3 ASP 34 HB1 ASP 34 9.911 -1.514 -7.168 253 H ASP 35 HN ASP 35 9.863 -0.008 -5.842 254 HA ASP 35 HA ASP 35 11.986 1.931 -6.050 255 HB2 ASP 35 HB2 ASP 35 8.983 2.211 -5.887 256 HB3 ASP 35 HB1 ASP 35 10.059 3.588 -5.924 257 H LEU 36 HN LEU 36 9.533 1.036 -3.721 258 HA LEU 36 HA LEU 36 10.317 3.145 -1.917 259 HB2 LEU 36 HB2 LEU 36 8.341 0.920 -1.471 260 HB3 LEU 36 HB1 LEU 36 8.485 2.396 -0.540 261 HG LEU 36 HG LEU 36 7.572 2.168 -3.400 262 HD11 LEU 36 HD11 LEU 36 5.926 1.403 -1.819 263 HD12 LEU 36 HD12 LEU 36 5.437 2.946 -2.526 264 HD13 LEU 36 HD13 LEU 36 6.093 2.894 -0.892 265 HD21 LEU 36 HD21 LEU 36 7.109 4.570 -3.257 266 HD22 LEU 36 HD22 LEU 36 8.826 4.211 -3.095 267 HD23 LEU 36 HD23 LEU 36 7.874 4.620 -1.663 268 H ASP 37 HN ASP 37 9.986 -0.361 -1.613 269 HA ASP 37 HA ASP 37 11.078 -1.959 -0.522 270 HB2 ASP 37 HB2 ASP 37 13.252 -1.222 -1.233 271 HB3 ASP 37 HB1 ASP 37 13.240 0.119 -0.092 272 H VAL 38 HN VAL 38 9.850 -2.596 1.048 273 HA VAL 38 HA VAL 38 10.015 -1.112 3.572 274 HB VAL 38 HB VAL 38 7.614 -2.750 2.687 275 HG11 VAL 38 HG11 VAL 38 7.805 -2.423 5.069 276 HG12 VAL 38 HG12 VAL 38 6.439 -1.504 4.436 277 HG13 VAL 38 HG13 VAL 38 7.942 -0.679 4.847 278 HG21 VAL 38 HG21 VAL 38 6.454 -0.642 2.150 279 HG22 VAL 38 HG22 VAL 38 7.846 -0.900 1.099 280 HG23 VAL 38 HG23 VAL 38 7.951 0.246 2.435 281 H ASP 39 HN ASP 39 11.865 -2.968 2.959 282 HA ASP 39 HA ASP 39 13.021 -4.727 3.807 283 HB2 ASP 39 HB2 ASP 39 12.182 -3.693 5.975 284 HB3 ASP 39 HB1 ASP 39 10.893 -4.893 5.935 285 H SER 40 HN SER 40 10.337 -5.028 2.343 286 HA SER 40 HA SER 40 9.145 -6.452 1.196 287 HB2 SER 40 HB2 SER 40 10.178 -8.475 0.314 288 HB3 SER 40 HB1 SER 40 11.259 -7.083 0.228 289 H LEU 41 HN LEU 41 10.214 -8.162 4.060 290 HA LEU 41 HA LEU 41 7.657 -9.505 3.944 291 HB2 LEU 41 HB2 LEU 41 8.312 -10.644 6.091 292 HB3 LEU 41 HB1 LEU 41 9.340 -10.976 4.722 293 HG LEU 41 HG LEU 41 11.012 -9.361 5.691 294 HD11 LEU 41 HD11 LEU 41 9.234 -9.513 8.114 295 HD12 LEU 41 HD12 LEU 41 9.468 -8.103 7.092 296 HD13 LEU 41 HD13 LEU 41 10.826 -8.744 8.024 297 HD21 LEU 41 HD21 LEU 41 11.801 -10.929 7.383 298 HD22 LEU 41 HD22 LEU 41 11.241 -11.765 5.937 299 HD23 LEU 41 HD23 LEU 41 10.228 -11.720 7.382 300 H SER 42 HN SER 42 9.095 -6.823 5.525 301 HA SER 42 HA SER 42 7.064 -6.508 7.470 302 HB2 SER 42 HB2 SER 42 9.197 -4.595 6.526 303 HB3 SER 42 HB1 SER 42 8.125 -4.304 7.899 304 HG SER 42 HG SER 42 8.948 -6.513 8.557 305 H MET 43 HN MET 43 7.114 -5.906 4.199 306 HA MET 43 HA MET 43 5.600 -3.621 4.180 307 HB2 MET 43 HB2 MET 43 4.799 -4.323 1.793 308 HB3 MET 43 HB1 MET 43 6.494 -4.066 2.081 309 HG2 MET 43 HG2 MET 43 5.887 -5.991 0.645 310 HG3 MET 43 HG1 MET 43 6.980 -6.332 1.972 311 HE1 MET 43 HE1 MET 43 2.976 -6.017 2.020 312 HE2 MET 43 HE2 MET 43 2.581 -7.737 1.808 313 HE3 MET 43 HE3 MET 43 3.370 -6.860 0.506 314 H VAL 44 HN VAL 44 4.646 -6.789 5.000 315 HA VAL 44 HA VAL 44 1.906 -6.552 4.511 316 HB VAL 44 HB VAL 44 3.301 -8.268 6.613 317 HG11 VAL 44 HG11 VAL 44 1.251 -9.616 6.678 318 HG12 VAL 44 HG12 VAL 44 0.460 -8.475 5.590 319 HG13 VAL 44 HG13 VAL 44 0.940 -7.962 7.209 320 HG21 VAL 44 HG21 VAL 44 3.942 -8.768 4.332 321 HG22 VAL 44 HG22 VAL 44 2.238 -8.944 3.879 322 HG23 VAL 44 HG23 VAL 44 2.972 -10.081 5.011 323 H GLU 45 HN GLU 45 3.957 -5.320 6.990 324 HA GLU 45 HA GLU 45 1.955 -4.771 8.900 325 HB2 GLU 45 HB2 GLU 45 4.652 -3.468 8.529 326 HB3 GLU 45 HB1 GLU 45 3.654 -3.384 9.978 327 HG2 GLU 45 HG2 GLU 45 3.836 -5.840 10.183 328 HG3 GLU 45 HG1 GLU 45 4.916 -5.835 8.803 329 H VAL 46 HN VAL 46 3.328 -3.089 6.172 330 HA VAL 46 HA VAL 46 2.109 -0.591 6.532 331 HB VAL 46 HB VAL 46 2.804 -2.030 3.931 332 HG11 VAL 46 HG11 VAL 46 2.692 0.174 2.839 333 HG12 VAL 46 HG12 VAL 46 2.119 0.892 4.339 334 HG13 VAL 46 HG13 VAL 46 1.126 -0.295 3.497 335 HG21 VAL 46 HG21 VAL 46 4.717 -1.582 5.341 336 HG22 VAL 46 HG22 VAL 46 4.248 0.112 5.464 337 HG23 VAL 46 HG23 VAL 46 4.747 -0.558 3.908 338 H VAL 47 HN VAL 47 1.171 -3.474 4.706 339 HA VAL 47 HA VAL 47 -1.276 -2.846 3.644 340 HB VAL 47 HB VAL 47 -0.753 -5.473 5.058 341 HG11 VAL 47 HG11 VAL 47 -2.202 -6.406 3.325 342 HG12 VAL 47 HG12 VAL 47 -2.450 -4.788 2.673 343 HG13 VAL 47 HG13 VAL 47 -3.020 -5.184 4.293 344 HG21 VAL 47 HG21 VAL 47 0.066 -4.681 2.270 345 HG22 VAL 47 HG22 VAL 47 0.193 -6.299 2.958 346 HG23 VAL 47 HG23 VAL 47 1.149 -4.977 3.630 347 H VAL 48 HN VAL 48 -0.807 -4.412 6.798 348 HA VAL 48 HA VAL 48 -3.352 -4.435 7.820 349 HB VAL 48 HB VAL 48 -0.790 -3.911 9.363 350 HG11 VAL 48 HG11 VAL 48 -1.977 -4.821 11.307 351 HG12 VAL 48 HG12 VAL 48 -3.457 -4.919 10.353 352 HG13 VAL 48 HG13 VAL 48 -2.743 -3.347 10.716 353 HG21 VAL 48 HG21 VAL 48 -2.247 -6.481 8.751 354 HG22 VAL 48 HG22 VAL 48 -0.813 -6.326 9.765 355 HG23 VAL 48 HG23 VAL 48 -0.718 -5.957 8.045 356 H ALA 49 HN ALA 49 -1.060 -1.744 8.136 357 HA ALA 49 HA ALA 49 -2.892 -0.157 9.661 358 HB1 ALA 49 HB1 ALA 49 -1.228 1.586 9.545 359 HB2 ALA 49 HB2 ALA 49 -0.324 0.675 8.331 360 HB3 ALA 49 HB3 ALA 49 -0.479 0.047 9.980 361 H ALA 50 HN ALA 50 -1.943 -0.367 6.301 362 HA ALA 50 HA ALA 50 -3.296 1.930 5.395 363 HB1 ALA 50 HB1 ALA 50 -2.713 -0.653 3.925 364 HB2 ALA 50 HB2 ALA 50 -1.642 0.746 4.015 365 HB3 ALA 50 HB3 ALA 50 -3.189 0.871 3.176 366 H GLU 51 HN GLU 51 -4.219 -1.439 5.819 367 HA GLU 51 HA GLU 51 -6.824 -1.364 4.910 368 HB2 GLU 51 HB2 GLU 51 -5.691 -2.921 7.235 369 HB3 GLU 51 HB1 GLU 51 -7.273 -3.204 6.535 370 HG2 GLU 51 HG2 GLU 51 -6.224 -3.829 4.424 371 HG3 GLU 51 HG1 GLU 51 -4.634 -3.530 5.134 372 H GLU 52 HN GLU 52 -5.531 -0.732 8.095 373 HA GLU 52 HA GLU 52 -7.877 -0.109 9.407 374 HB2 GLU 52 HB2 GLU 52 -5.852 -0.545 10.608 375 HB3 GLU 52 HB1 GLU 52 -5.068 0.849 9.887 376 HG2 GLU 52 HG2 GLU 52 -6.537 2.339 11.089 377 HG3 GLU 52 HG1 GLU 52 -7.424 0.965 11.753 378 H ARG 53 HN ARG 53 -5.625 2.020 7.700 379 HA ARG 53 HA ARG 53 -6.977 4.420 8.328 380 HB2 ARG 53 HB2 ARG 53 -4.606 4.411 7.754 381 HB3 ARG 53 HB1 ARG 53 -4.996 3.852 6.138 382 HG2 ARG 53 HG2 ARG 53 -4.429 6.213 6.105 383 HG3 ARG 53 HG1 ARG 53 -6.107 5.975 5.646 384 HD2 ARG 53 HD2 ARG 53 -5.230 6.767 8.431 385 HD3 ARG 53 HD1 ARG 53 -5.644 7.934 7.185 386 HE ARG 53 HE ARG 53 -7.786 6.142 7.456 387 HH11 ARG 53 HH11 ARG 53 -6.211 8.622 9.452 388 HH12 ARG 53 HH12 ARG 53 -7.662 9.132 10.181 389 HH21 ARG 53 HH21 ARG 53 -9.735 6.714 8.634 390 HH22 ARG 53 HH22 ARG 53 -9.678 7.967 9.768 391 H PHE 54 HN PHE 54 -7.065 2.425 5.357 392 HA PHE 54 HA PHE 54 -8.892 4.365 4.142 393 HB2 PHE 54 HB2 PHE 54 -8.071 1.710 2.973 394 HB3 PHE 54 HB1 PHE 54 -8.722 3.103 2.135 395 HD1 PHE 54 HD1 PHE 54 -7.075 5.300 3.042 396 HD2 PHE 54 HD2 PHE 54 -6.046 1.276 2.191 397 HE1 PHE 54 HE1 PHE 54 -4.787 6.021 2.528 398 HE2 PHE 54 HE2 PHE 54 -3.719 1.983 1.678 399 HZ PHE 54 HZ PHE 54 -3.098 4.357 1.852 400 H ASP 55 HN ASP 55 -9.268 1.944 6.276 401 HA ASP 55 HA ASP 55 -10.856 0.489 6.928 402 HB2 ASP 55 HB2 ASP 55 -12.650 2.329 5.307 403 HB3 ASP 55 HB1 ASP 55 -13.273 0.979 6.250 404 H VAL 56 HN VAL 56 -9.269 -0.159 4.910 405 HA VAL 56 HA VAL 56 -10.973 -1.626 3.063 406 HB VAL 56 HB VAL 56 -9.159 -0.044 2.117 407 HG11 VAL 56 HG11 VAL 56 -6.920 -0.926 1.839 408 HG12 VAL 56 HG12 VAL 56 -7.311 -2.260 2.892 409 HG13 VAL 56 HG13 VAL 56 -7.291 -0.605 3.543 410 HG21 VAL 56 HG21 VAL 56 -9.162 -2.900 1.215 411 HG22 VAL 56 HG22 VAL 56 -8.554 -1.530 0.286 412 HG23 VAL 56 HG23 VAL 56 -10.268 -1.625 0.700 413 H LYS 57 HN LYS 57 -9.738 -3.712 2.414 414 HA LYS 57 HA LYS 57 -8.619 -5.087 4.726 415 HB2 LYS 57 HB2 LYS 57 -11.070 -6.130 3.240 416 HB3 LYS 57 HB1 LYS 57 -10.135 -7.073 4.379 417 HG2 LYS 57 HG2 LYS 57 -12.077 -6.426 5.546 418 HG3 LYS 57 HG1 LYS 57 -10.821 -5.341 6.131 419 HD2 LYS 57 HD2 LYS 57 -11.614 -3.628 4.528 420 HD3 LYS 57 HD1 LYS 57 -12.907 -4.722 4.047 421 HE2 LYS 57 HE2 LYS 57 -13.833 -4.651 6.282 422 HE3 LYS 57 HE1 LYS 57 -12.490 -3.638 6.829 423 HZ1 LYS 57 HZ1 LYS 57 -14.491 -2.311 6.313 424 HZ2 LYS 57 HZ2 LYS 57 -14.448 -2.893 4.731 425 HZ3 LYS 57 HZ3 LYS 57 -13.198 -1.924 5.300 426 H ILE 58 HN ILE 58 -6.869 -6.035 3.974 427 HA ILE 58 HA ILE 58 -6.973 -7.246 1.327 428 HB ILE 58 HB ILE 58 -4.470 -5.667 1.905 429 HG12 ILE 58 HG12 ILE 58 -6.887 -4.446 0.525 430 HG13 ILE 58 HG11 ILE 58 -6.358 -4.002 2.145 431 HG21 ILE 58 HG21 ILE 58 -4.631 -7.265 0.032 432 HG22 ILE 58 HG22 ILE 58 -4.423 -5.605 -0.554 433 HG23 ILE 58 HG23 ILE 58 -6.018 -6.355 -0.578 434 HD11 ILE 58 HD11 ILE 58 -4.787 -3.645 -0.399 435 HD12 ILE 58 HD12 ILE 58 -4.235 -3.210 1.219 436 HD13 ILE 58 HD13 ILE 58 -5.619 -2.379 0.505 437 HA PRO 59 HA PRO 59 -4.856 -10.028 4.309 438 HB2 PRO 59 HB2 PRO 59 -5.877 -12.013 2.366 439 HB3 PRO 59 HB1 PRO 59 -6.065 -11.970 4.122 440 HG2 PRO 59 HG2 PRO 59 -8.122 -11.440 2.517 441 HG3 PRO 59 HG1 PRO 59 -7.884 -10.537 4.024 442 HD2 PRO 59 HD2 PRO 59 -7.223 -9.732 1.212 443 HD3 PRO 59 HD1 PRO 59 -7.994 -8.783 2.498 444 H ASP 60 HN ASP 60 -3.342 -11.981 3.656 445 HA ASP 60 HA ASP 60 -1.188 -10.908 2.203 446 HB2 ASP 60 HB2 ASP 60 -0.999 -12.748 3.911 447 HB3 ASP 60 HB1 ASP 60 -1.653 -13.804 2.626 448 H ASP 61 HN ASP 61 -3.564 -13.350 1.303 449 HA ASP 61 HA ASP 61 -2.383 -13.875 -1.219 450 HB2 ASP 61 HB2 ASP 61 -5.185 -14.433 -0.254 451 HB3 ASP 61 HB1 ASP 61 -4.566 -14.960 -1.819 452 H ASP 62 HN ASP 62 -4.415 -11.406 -0.137 453 HA ASP 62 HA ASP 62 -5.052 -10.586 -2.825 454 HB2 ASP 62 HB2 ASP 62 -5.763 -9.459 -0.140 455 HB3 ASP 62 HB1 ASP 62 -5.953 -8.487 -1.596 456 H VAL 63 HN VAL 63 -2.894 -9.524 -0.190 457 HA VAL 63 HA VAL 63 -1.939 -7.380 -1.753 458 HB VAL 63 HB VAL 63 -1.679 -7.405 0.745 459 HG11 VAL 63 HG11 VAL 63 0.553 -9.350 0.255 460 HG12 VAL 63 HG12 VAL 63 -0.986 -9.699 1.034 461 HG13 VAL 63 HG13 VAL 63 0.154 -8.578 1.795 462 HG21 VAL 63 HG21 VAL 63 0.861 -7.024 -0.810 463 HG22 VAL 63 HG22 VAL 63 0.545 -6.386 0.804 464 HG23 VAL 63 HG23 VAL 63 -0.416 -5.833 -0.567 465 H LYS 64 HN LYS 64 -1.261 -10.725 -1.696 466 HA LYS 64 HA LYS 64 1.123 -10.953 -2.839 467 HB2 LYS 64 HB2 LYS 64 -1.368 -12.533 -3.326 468 HB3 LYS 64 HB1 LYS 64 0.063 -12.894 -4.263 469 HG2 LYS 64 HG2 LYS 64 1.254 -13.269 -2.077 470 HG3 LYS 64 HG1 LYS 64 -0.330 -13.150 -1.294 471 HD2 LYS 64 HD2 LYS 64 -1.188 -14.976 -2.579 472 HD3 LYS 64 HD1 LYS 64 0.256 -15.020 -3.583 473 HE2 LYS 64 HE2 LYS 64 0.420 -16.834 -2.091 474 HE3 LYS 64 HE1 LYS 64 1.538 -15.610 -1.504 475 HZ1 LYS 64 HZ1 LYS 64 -1.177 -16.132 -0.422 476 HZ2 LYS 64 HZ2 LYS 64 -0.029 -15.011 0.210 477 HZ3 LYS 64 HZ3 LYS 64 0.292 -16.659 0.230 478 H ASN 65 HN ASN 65 -1.807 -9.668 -4.182 479 HA ASN 65 HA ASN 65 -1.209 -10.025 -7.002 480 HB2 ASN 65 HB2 ASN 65 -3.545 -8.755 -5.565 481 HB3 ASN 65 HB1 ASN 65 -3.412 -8.891 -7.309 482 HD21 ASN 65 HD21 ASN 65 -5.352 -9.974 -5.358 483 HD22 ASN 65 HD22 ASN 65 -5.420 -11.664 -5.668 484 H LEU 66 HN LEU 66 -0.321 -7.752 -4.686 485 HA LEU 66 HA LEU 66 -0.799 -5.484 -6.408 486 HB2 LEU 66 HB2 LEU 66 0.283 -5.636 -3.611 487 HB3 LEU 66 HB1 LEU 66 0.066 -4.141 -4.509 488 HG LEU 66 HG LEU 66 -2.136 -6.056 -3.737 489 HD11 LEU 66 HD11 LEU 66 -2.873 -4.274 -2.264 490 HD12 LEU 66 HD12 LEU 66 -1.454 -3.318 -2.700 491 HD13 LEU 66 HD13 LEU 66 -1.262 -4.849 -1.837 492 HD21 LEU 66 HD21 LEU 66 -2.579 -4.956 -5.858 493 HD22 LEU 66 HD22 LEU 66 -2.245 -3.385 -5.128 494 HD23 LEU 66 HD23 LEU 66 -3.634 -4.328 -4.593 495 H LYS 67 HN LYS 67 0.821 -3.899 -6.850 496 HA LYS 67 HA LYS 67 3.544 -4.949 -7.086 497 HB2 LYS 67 HB2 LYS 67 2.424 -5.394 -9.167 498 HB3 LYS 67 HB1 LYS 67 1.800 -3.751 -9.222 499 HG2 LYS 67 HG2 LYS 67 4.186 -2.992 -9.263 500 HG3 LYS 67 HG1 LYS 67 4.614 -4.683 -9.590 501 HD2 LYS 67 HD2 LYS 67 3.075 -4.613 -11.536 502 HD3 LYS 67 HD1 LYS 67 2.809 -2.892 -11.155 503 HE2 LYS 67 HE2 LYS 67 5.117 -2.424 -11.442 504 HE3 LYS 67 HE1 LYS 67 5.470 -4.127 -11.741 505 HZ1 LYS 67 HZ1 LYS 67 3.871 -2.308 -13.470 506 HZ2 LYS 67 HZ2 LYS 67 3.992 -3.967 -13.718 507 HZ3 LYS 67 HZ3 LYS 67 5.372 -2.998 -13.822 508 H THR 68 HN THR 68 1.436 -2.114 -7.764 509 HA THR 68 HA THR 68 3.540 -0.420 -6.579 510 HB THR 68 HB THR 68 3.035 1.361 -8.226 511 HG1 THR 68 HG1 THR 68 1.278 -0.607 -9.265 512 HG21 THR 68 HG21 THR 68 3.780 -1.234 -9.587 513 HG22 THR 68 HG22 THR 68 4.893 -0.144 -8.759 514 HG23 THR 68 HG23 THR 68 4.072 0.382 -10.229 515 H VAL 69 HN VAL 69 2.237 1.978 -6.502 516 HA VAL 69 HA VAL 69 -0.036 1.132 -5.020 517 HB VAL 69 HB VAL 69 -0.322 3.172 -4.002 518 HG11 VAL 69 HG11 VAL 69 1.527 2.082 -3.122 519 HG12 VAL 69 HG12 VAL 69 1.810 3.825 -3.074 520 HG13 VAL 69 HG13 VAL 69 2.615 2.826 -4.297 521 HG21 VAL 69 HG21 VAL 69 0.805 5.262 -4.605 522 HG22 VAL 69 HG22 VAL 69 -0.340 4.655 -5.797 523 HG23 VAL 69 HG23 VAL 69 1.399 4.465 -6.065 524 H GLY 70 HN GLY 70 0.539 1.884 -8.142 525 HA2 GLY 70 HA2 GLY 70 -1.807 3.378 -8.785 526 HA3 GLY 70 HA1 GLY 70 -0.832 2.427 -9.911 527 H ASP 71 HN ASP 71 -0.928 0.004 -9.175 528 HA ASP 71 HA ASP 71 -3.515 -0.963 -9.618 529 HB2 ASP 71 HB2 ASP 71 -2.376 -3.198 -8.750 530 HB3 ASP 71 HB1 ASP 71 -1.830 -2.500 -10.294 531 H ALA 72 HN ALA 72 -1.603 -0.578 -6.674 532 HA ALA 72 HA ALA 72 -3.412 -1.770 -4.941 533 HB1 ALA 72 HB1 ALA 72 -1.676 0.574 -4.226 534 HB2 ALA 72 HB2 ALA 72 -1.098 -1.091 -4.326 535 HB3 ALA 72 HB3 ALA 72 -2.323 -0.651 -3.136 536 H THR 73 HN THR 73 -3.390 1.542 -6.183 537 HA THR 73 HA THR 73 -5.242 2.646 -4.477 538 HB THR 73 HB THR 73 -4.884 3.257 -7.441 539 HG1 THR 73 HG1 THR 73 -3.057 3.599 -6.016 540 HG21 THR 73 HG21 THR 73 -7.057 4.092 -6.610 541 HG22 THR 73 HG22 THR 73 -5.949 5.413 -6.970 542 HG23 THR 73 HG23 THR 73 -6.222 4.927 -5.299 543 H LYS 74 HN LYS 74 -5.958 1.285 -7.731 544 HA LYS 74 HA LYS 74 -8.755 1.364 -7.440 545 HB2 LYS 74 HB2 LYS 74 -7.035 -0.318 -9.257 546 HB3 LYS 74 HB1 LYS 74 -8.780 -0.423 -9.258 547 HG2 LYS 74 HG2 LYS 74 -8.232 0.936 -11.046 548 HG3 LYS 74 HG1 LYS 74 -8.804 2.029 -9.786 549 HD2 LYS 74 HD2 LYS 74 -6.506 2.644 -9.254 550 HD3 LYS 74 HD1 LYS 74 -5.904 1.475 -10.434 551 HE2 LYS 74 HE2 LYS 74 -7.111 2.737 -12.215 552 HE3 LYS 74 HE1 LYS 74 -7.538 3.950 -11.009 553 HZ1 LYS 74 HZ1 LYS 74 -5.169 4.329 -10.641 554 HZ2 LYS 74 HZ2 LYS 74 -5.574 4.674 -12.211 555 HZ3 LYS 74 HZ3 LYS 74 -4.769 3.231 -11.848 556 H TYR 75 HN TYR 75 -6.410 -1.019 -6.569 557 HA TYR 75 HA TYR 75 -8.146 -3.182 -6.187 558 HB2 TYR 75 HB2 TYR 75 -5.591 -3.148 -6.396 559 HB3 TYR 75 HB1 TYR 75 -5.576 -2.727 -4.693 560 HD1 TYR 75 HD2 TYR 75 -6.220 -4.307 -3.023 561 HD2 TYR 75 HD1 TYR 75 -6.159 -5.400 -7.124 562 HE1 TYR 75 HE2 TYR 75 -6.345 -6.652 -2.376 563 HE2 TYR 75 HE1 TYR 75 -6.290 -7.739 -6.539 564 HH TYR 75 HH TYR 75 -5.789 -9.243 -4.439 565 H ILE 76 HN ILE 76 -6.756 -0.758 -4.021 566 HA ILE 76 HA ILE 76 -8.040 -1.589 -1.669 567 HB ILE 76 HB ILE 76 -6.841 1.069 -2.504 568 HG12 ILE 76 HG12 ILE 76 -5.902 -1.019 -0.529 569 HG13 ILE 76 HG11 ILE 76 -5.352 -0.894 -2.194 570 HG21 ILE 76 HG21 ILE 76 -6.986 1.786 -0.163 571 HG22 ILE 76 HG22 ILE 76 -7.889 0.323 0.230 572 HG23 ILE 76 HG23 ILE 76 -8.590 1.526 -0.855 573 HD11 ILE 76 HD11 ILE 76 -4.432 1.304 -1.719 574 HD12 ILE 76 HD12 ILE 76 -3.749 0.056 -0.677 575 HD13 ILE 76 HD13 ILE 76 -4.965 1.166 -0.040 576 H LEU 77 HN LEU 77 -8.856 0.848 -4.117 577 HA LEU 77 HA LEU 77 -11.237 1.721 -3.003 578 HB2 LEU 77 HB2 LEU 77 -10.543 1.457 -5.932 579 HB3 LEU 77 HB1 LEU 77 -11.911 2.363 -5.324 580 HG LEU 77 HG LEU 77 -9.007 2.995 -4.797 581 HD11 LEU 77 HD11 LEU 77 -11.036 4.390 -6.528 582 HD12 LEU 77 HD12 LEU 77 -9.638 3.471 -7.088 583 HD13 LEU 77 HD13 LEU 77 -9.405 4.969 -6.188 584 HD21 LEU 77 HD21 LEU 77 -9.847 5.054 -3.786 585 HD22 LEU 77 HD22 LEU 77 -10.419 3.625 -2.924 586 HD23 LEU 77 HD23 LEU 77 -11.503 4.491 -4.016 587 H ASP 78 HN ASP 78 -10.531 -1.133 -4.798 588 HA ASP 78 HA ASP 78 -13.229 -2.016 -5.206 589 HB2 ASP 78 HB2 ASP 78 -11.525 -2.655 -6.772 590 HB3 ASP 78 HB1 ASP 78 -10.544 -3.357 -5.500 591 H HIS 79 HN HIS 79 -10.784 -2.510 -2.781 592 HA HIS 79 HA HIS 79 -12.326 -4.649 -1.552 593 HB2 HIS 79 HB2 HIS 79 -9.530 -3.731 -1.223 594 HB3 HIS 79 HB1 HIS 79 -10.294 -4.601 0.103 595 HD1 HIS 79 HD1 HIS 79 -9.990 -7.033 -0.004 596 HD2 HIS 79 HD2 HIS 79 -9.902 -5.314 -3.791 597 HE1 HIS 79 HE1 HIS 79 -9.528 -8.900 -1.585 598 HE2 HIS 79 HE2 HIS 79 -9.690 -7.911 -3.853 599 H GLN 80 HN GLN 80 -12.404 -1.370 -1.282 600 HA GLN 80 HA GLN 80 -12.952 -1.420 1.584 601 HB2 GLN 80 HB2 GLN 80 -12.939 1.009 1.441 602 HB3 GLN 80 HB1 GLN 80 -11.440 0.310 0.833 603 HG2 GLN 80 HG2 GLN 80 -12.229 0.632 -1.458 604 HG3 GLN 80 HG1 GLN 80 -13.725 1.325 -0.841 605 HE21 GLN 80 HE21 GLN 80 -10.622 1.980 0.633 606 HE22 GLN 80 HE22 GLN 80 -10.536 3.622 0.120 607 H ALA 81 HN ALA 81 -14.843 0.083 2.208 608 HA ALA 81 HA ALA 81 -17.138 -0.732 0.621 609 HB1 ALA 81 HB1 ALA 81 -17.140 -1.378 2.986 610 HB2 ALA 81 HB2 ALA 81 -18.435 -0.231 2.644 611 HB3 ALA 81 HB3 ALA 81 -16.969 0.313 3.456 612 H2 SOO 101 H2A SOO 101 4.062 -5.322 -0.423 613 H3 SOO 101 H3A SOO 101 1.827 -3.522 -1.627 614 H4 SOO 101 H4A SOO 101 2.134 -4.422 1.175 615 H4A SOO 101 H4B SOO 101 3.260 -3.095 0.884 616 H5 SOO 101 H5A SOO 101 1.362 -1.685 0.180 617 H5A SOO 101 H5B SOO 101 1.171 -2.271 1.832 618 H6 SOO 101 H6A SOO 101 -0.266 -4.115 0.920 619 H6A SOO 101 H6B SOO 101 -0.204 -3.310 -0.643 620 H7 SOO 101 H7A SOO 101 -1.279 -2.054 1.887 621 H7A SOO 101 H7B SOO 101 -2.267 -2.767 0.600 622 H8 SOO 101 H8C SOO 101 -2.129 -0.348 0.387 623 H8A SOO 101 H8A SOO 101 -1.350 -1.148 -0.982 624 H8B SOO 101 H8B SOO 101 -0.371 -0.449 0.316 625 H28 SOO 101 H28A SOO 101 10.746 -11.991 1.392 626 H28A SOO 101 H28B SOO 101 9.791 -10.505 1.524 627 H30 SOO 101 H30A SOO 101 9.353 -9.934 -1.319 628 H30A SOO 101 H30B SOO 101 8.109 -9.949 -0.068 629 H30B SOO 101 H30C SOO 101 7.880 -10.878 -1.549 630 H31 SOO 101 H31A SOO 101 10.706 -11.911 -1.764 631 H31A SOO 101 H31B SOO 101 9.283 -12.935 -1.957 632 H31B SOO 101 H31C SOO 101 10.528 -13.370 -0.787 633 H32 SOO 101 H32A SOO 101 7.663 -13.259 -0.224 634 HO33 SOO 101 H33A SOO 101 8.411 -13.409 2.213 635 HN36 SOO 101 H36A SOO 101 5.988 -11.521 -0.096 636 H37 SOO 101 H37A SOO 101 5.058 -11.164 2.623 637 H37A SOO 101 H37B SOO 101 5.316 -9.698 1.716 638 H38 SOO 101 H38A SOO 101 3.418 -12.015 0.970 639 H38A SOO 101 H38B SOO 101 3.000 -10.496 1.756 640 HN41 SOO 101 H41A SOO 101 4.618 -8.907 0.210 641 H42 SOO 101 H42A SOO 101 4.058 -8.970 -2.569 642 H42A SOO 101 H42B SOO 101 2.986 -7.857 -1.709 643 H43 SOO 101 H43A SOO 101 6.006 -7.810 -1.623 644 H43A SOO 101 H43B SOO 101 4.902 -6.718 -0.763 Start of MODEL 12 1 H1 ALA 1 HT1 ALA 1 -14.761 4.289 2.538 2 H2 ALA 1 HT2 ALA 1 -16.151 3.832 1.727 3 H3 ALA 1 HT3 ALA 1 -15.882 5.469 2.143 4 HA ALA 1 HA ALA 1 -14.238 3.880 0.279 5 HB1 ALA 1 HB1 ALA 1 -16.407 4.512 -0.680 6 HB2 ALA 1 HB2 ALA 1 -15.080 5.375 -1.457 7 HB3 ALA 1 HB3 ALA 1 -16.093 6.200 -0.273 8 H ALA 2 HN ALA 2 -12.731 5.337 -0.922 9 HA ALA 2 HA ALA 2 -11.872 7.754 0.443 10 HB1 ALA 2 HB1 ALA 2 -9.537 6.938 0.537 11 HB2 ALA 2 HB2 ALA 2 -10.079 5.347 -0.003 12 HB3 ALA 2 HB3 ALA 2 -10.597 5.971 1.564 13 H THR 3 HN THR 3 -9.850 8.576 -1.016 14 HA THR 3 HA THR 3 -10.645 8.081 -3.796 15 HB THR 3 HB THR 3 -9.613 10.292 -4.270 16 HG1 THR 3 HG1 THR 3 -9.429 11.531 -2.052 17 HG21 THR 3 HG21 THR 3 -12.021 10.171 -3.831 18 HG22 THR 3 HG22 THR 3 -11.349 11.681 -3.215 19 HG23 THR 3 HG23 THR 3 -11.721 10.359 -2.103 20 H GLN 4 HN GLN 4 -8.646 8.610 -5.317 21 HA GLN 4 HA GLN 4 -6.509 6.899 -4.748 22 HB2 GLN 4 HB2 GLN 4 -6.931 7.328 -7.043 23 HB3 GLN 4 HB1 GLN 4 -7.043 9.055 -6.794 24 HG2 GLN 4 HG2 GLN 4 -4.428 7.624 -6.474 25 HG3 GLN 4 HG1 GLN 4 -5.011 8.077 -8.079 26 HE21 GLN 4 HE21 GLN 4 -2.678 8.999 -6.673 27 HE22 GLN 4 HE22 GLN 4 -2.793 10.704 -6.462 28 H GLU 5 HN GLU 5 -7.028 10.306 -4.384 29 HA GLU 5 HA GLU 5 -4.475 11.126 -3.649 30 HB2 GLU 5 HB2 GLU 5 -6.382 12.553 -4.339 31 HB3 GLU 5 HB1 GLU 5 -7.136 12.236 -2.784 32 HG2 GLU 5 HG2 GLU 5 -5.218 13.284 -1.681 33 HG3 GLU 5 HG1 GLU 5 -4.545 13.664 -3.268 34 H GLU 6 HN GLU 6 -7.291 10.222 -1.645 35 HA GLU 6 HA GLU 6 -6.026 10.443 0.846 36 HB2 GLU 6 HB2 GLU 6 -8.351 8.730 -0.019 37 HB3 GLU 6 HB1 GLU 6 -7.798 8.820 1.645 38 HG2 GLU 6 HG2 GLU 6 -8.793 11.121 -0.013 39 HG3 GLU 6 HG1 GLU 6 -9.693 10.282 1.252 40 H ILE 7 HN ILE 7 -6.277 7.732 -1.364 41 HA ILE 7 HA ILE 7 -5.008 5.849 0.258 42 HB ILE 7 HB ILE 7 -5.214 6.026 -2.762 43 HG12 ILE 7 HG12 ILE 7 -6.623 4.323 -0.691 44 HG13 ILE 7 HG11 ILE 7 -7.297 5.720 -1.512 45 HG21 ILE 7 HG21 ILE 7 -4.169 3.712 -1.104 46 HG22 ILE 7 HG22 ILE 7 -3.211 4.711 -2.197 47 HG23 ILE 7 HG23 ILE 7 -4.484 3.674 -2.840 48 HD11 ILE 7 HD11 ILE 7 -7.177 4.546 -3.632 49 HD12 ILE 7 HD12 ILE 7 -8.120 3.646 -2.447 50 HD13 ILE 7 HD13 ILE 7 -6.469 3.150 -2.820 51 H VAL 8 HN VAL 8 -3.558 7.647 -2.444 52 HA VAL 8 HA VAL 8 -0.931 6.895 -1.986 53 HB VAL 8 HB VAL 8 -2.041 9.434 -3.202 54 HG11 VAL 8 HG11 VAL 8 0.295 9.809 -2.521 55 HG12 VAL 8 HG12 VAL 8 0.137 9.715 -4.277 56 HG13 VAL 8 HG13 VAL 8 0.774 8.339 -3.374 57 HG21 VAL 8 HG21 VAL 8 -2.724 7.452 -4.335 58 HG22 VAL 8 HG22 VAL 8 -1.082 6.822 -4.308 59 HG23 VAL 8 HG23 VAL 8 -1.457 8.233 -5.293 60 H ALA 9 HN ALA 9 -2.530 9.872 -0.779 61 HA ALA 9 HA ALA 9 -0.277 10.887 0.548 62 HB1 ALA 9 HB1 ALA 9 -1.820 12.381 1.696 63 HB2 ALA 9 HB2 ALA 9 -3.182 11.371 1.198 64 HB3 ALA 9 HB3 ALA 9 -2.242 12.239 -0.013 65 H GLY 10 HN GLY 10 -2.933 8.845 1.742 66 HA2 GLY 10 HA2 GLY 10 -1.989 8.806 4.427 67 HA3 GLY 10 HA1 GLY 10 -3.212 7.750 3.729 68 H LEU 11 HN LEU 11 -1.658 6.650 1.660 69 HA LEU 11 HA LEU 11 -0.513 4.418 2.833 70 HB2 LEU 11 HB2 LEU 11 -0.996 5.383 0.257 71 HB3 LEU 11 HB1 LEU 11 0.724 5.064 0.295 72 HG LEU 11 HG LEU 11 -1.466 3.080 0.932 73 HD11 LEU 11 HD11 LEU 11 -1.410 3.651 -1.414 74 HD12 LEU 11 HD12 LEU 11 -0.814 2.011 -1.161 75 HD13 LEU 11 HD13 LEU 11 0.323 3.327 -1.473 76 HD21 LEU 11 HD21 LEU 11 1.516 2.684 0.705 77 HD22 LEU 11 HD22 LEU 11 0.322 1.408 0.941 78 HD23 LEU 11 HD23 LEU 11 0.573 2.622 2.193 79 H ALA 12 HN ALA 12 0.978 7.305 1.523 80 HA ALA 12 HA ALA 12 3.634 6.557 1.949 81 HB1 ALA 12 HB1 ALA 12 4.175 8.845 1.627 82 HB2 ALA 12 HB2 ALA 12 2.480 9.317 1.847 83 HB3 ALA 12 HB3 ALA 12 2.963 8.327 0.456 84 H GLU 13 HN GLU 13 1.275 7.971 4.101 85 HA GLU 13 HA GLU 13 3.131 8.789 6.076 86 HB2 GLU 13 HB2 GLU 13 0.249 7.985 6.424 87 HB3 GLU 13 HB1 GLU 13 1.245 8.732 7.657 88 HG2 GLU 13 HG2 GLU 13 1.526 10.640 5.993 89 HG3 GLU 13 HG1 GLU 13 0.146 9.915 5.154 90 H ILE 14 HN ILE 14 1.110 5.931 5.719 91 HA ILE 14 HA ILE 14 2.147 4.561 7.943 92 HB ILE 14 HB ILE 14 0.736 3.538 5.457 93 HG12 ILE 14 HG12 ILE 14 -1.034 2.869 7.122 94 HG13 ILE 14 HG11 ILE 14 -0.091 3.654 8.372 95 HG21 ILE 14 HG21 ILE 14 0.613 1.313 6.462 96 HG22 ILE 14 HG22 ILE 14 1.684 1.849 7.756 97 HG23 ILE 14 HG23 ILE 14 2.269 1.788 6.095 98 HD11 ILE 14 HD11 ILE 14 -1.949 5.024 7.655 99 HD12 ILE 14 HD12 ILE 14 -1.348 4.992 5.994 100 HD13 ILE 14 HD13 ILE 14 -0.413 5.794 7.257 101 H VAL 15 HN VAL 15 3.139 4.568 4.558 102 HA VAL 15 HA VAL 15 5.190 2.701 4.747 103 HB VAL 15 HB VAL 15 4.918 5.093 2.894 104 HG11 VAL 15 HG11 VAL 15 6.884 2.808 2.706 105 HG12 VAL 15 HG12 VAL 15 7.267 4.497 3.061 106 HG13 VAL 15 HG13 VAL 15 6.614 4.056 1.482 107 HG21 VAL 15 HG21 VAL 15 3.216 3.373 2.638 108 HG22 VAL 15 HG22 VAL 15 4.469 2.142 2.472 109 HG23 VAL 15 HG23 VAL 15 4.298 3.397 1.246 110 H ASN 16 HN ASN 16 5.089 6.031 5.690 111 HA ASN 16 HA ASN 16 7.915 6.271 6.137 112 HB2 ASN 16 HB2 ASN 16 6.303 8.141 5.503 113 HB3 ASN 16 HB1 ASN 16 5.741 8.088 7.167 114 HD21 ASN 16 HD21 ASN 16 8.330 8.875 5.044 115 HD22 ASN 16 HD22 ASN 16 9.219 9.856 6.150 116 H GLU 17 HN GLU 17 5.187 5.159 7.922 117 HA GLU 17 HA GLU 17 6.371 5.417 10.552 118 HB2 GLU 17 HB2 GLU 17 4.048 3.676 9.674 119 HB3 GLU 17 HB1 GLU 17 4.452 4.127 11.319 120 HG2 GLU 17 HG2 GLU 17 3.607 6.035 9.174 121 HG3 GLU 17 HG1 GLU 17 2.509 5.325 10.354 122 H ILE 18 HN ILE 18 5.633 2.830 8.281 123 HA ILE 18 HA ILE 18 6.799 0.698 9.746 124 HB ILE 18 HB ILE 18 6.235 0.872 6.775 125 HG12 ILE 18 HG12 ILE 18 4.208 1.304 8.104 126 HG13 ILE 18 HG11 ILE 18 4.105 -0.242 7.279 127 HG21 ILE 18 HG21 ILE 18 7.735 -0.964 7.307 128 HG22 ILE 18 HG22 ILE 18 6.147 -1.587 6.861 129 HG23 ILE 18 HG23 ILE 18 6.629 -1.535 8.557 130 HD11 ILE 18 HD11 ILE 18 3.202 -0.385 9.508 131 HD12 ILE 18 HD12 ILE 18 4.725 0.181 10.200 132 HD13 ILE 18 HD13 ILE 18 4.650 -1.382 9.381 133 H ALA 19 HN ALA 19 7.956 2.529 6.900 134 HA ALA 19 HA ALA 19 10.628 1.376 7.403 135 HB1 ALA 19 HB1 ALA 19 9.665 0.702 5.252 136 HB2 ALA 19 HB2 ALA 19 11.128 1.664 5.047 137 HB3 ALA 19 HB3 ALA 19 9.546 2.399 4.783 138 H GLY 20 HN GLY 20 9.012 4.318 6.296 139 HA2 GLY 20 HA2 GLY 20 9.719 6.444 7.273 140 HA3 GLY 20 HA1 GLY 20 11.359 5.803 7.312 141 H ILE 21 HN ILE 21 9.498 5.084 4.562 142 HA ILE 21 HA ILE 21 11.248 6.505 2.825 143 HB ILE 21 HB ILE 21 8.639 5.038 2.314 144 HG12 ILE 21 HG12 ILE 21 10.374 3.549 3.104 145 HG13 ILE 21 HG11 ILE 21 10.079 3.250 1.396 146 HG21 ILE 21 HG21 ILE 21 8.953 6.642 0.533 147 HG22 ILE 21 HG22 ILE 21 9.207 5.002 -0.068 148 HG23 ILE 21 HG23 ILE 21 10.591 6.048 0.257 149 HD11 ILE 21 HD11 ILE 21 12.377 4.822 2.546 150 HD12 ILE 21 HD12 ILE 21 12.084 4.526 0.833 151 HD13 ILE 21 HD13 ILE 21 12.453 3.177 1.910 152 HA PRO 22 HA PRO 22 9.619 10.654 2.750 153 HB2 PRO 22 HB2 PRO 22 9.702 10.060 -0.181 154 HB3 PRO 22 HB1 PRO 22 10.198 11.522 0.684 155 HG2 PRO 22 HG2 PRO 22 11.988 9.700 -0.091 156 HG3 PRO 22 HG1 PRO 22 12.156 10.584 1.436 157 HD2 PRO 22 HD2 PRO 22 11.505 7.750 0.978 158 HD3 PRO 22 HD1 PRO 22 12.136 8.542 2.434 159 H VAL 23 HN VAL 23 7.715 11.370 2.974 160 HA VAL 23 HA VAL 23 5.382 9.829 2.474 161 HB VAL 23 HB VAL 23 4.149 11.754 3.452 162 HG11 VAL 23 HG11 VAL 23 5.078 10.019 4.884 163 HG12 VAL 23 HG12 VAL 23 5.153 11.598 5.667 164 HG13 VAL 23 HG13 VAL 23 6.609 10.892 4.960 165 HG21 VAL 23 HG21 VAL 23 6.895 12.968 3.537 166 HG22 VAL 23 HG22 VAL 23 5.450 13.668 4.296 167 HG23 VAL 23 HG23 VAL 23 5.561 13.510 2.532 168 H GLU 24 HN GLU 24 6.950 11.439 0.211 169 HA GLU 24 HA GLU 24 4.499 12.070 -1.298 170 HB2 GLU 24 HB2 GLU 24 7.102 13.618 -1.326 171 HB3 GLU 24 HB1 GLU 24 5.724 13.930 -2.366 172 HG2 GLU 24 HG2 GLU 24 4.402 14.665 -0.529 173 HG3 GLU 24 HG1 GLU 24 5.612 14.111 0.632 174 H ASP 25 HN ASP 25 6.690 9.870 -0.985 175 HA ASP 25 HA ASP 25 7.529 9.823 -3.797 176 HB2 ASP 25 HB2 ASP 25 9.350 9.992 -2.179 177 HB3 ASP 25 HB1 ASP 25 8.812 8.534 -1.383 178 H VAL 26 HN VAL 26 5.197 8.539 -1.923 179 HA VAL 26 HA VAL 26 5.449 5.839 -2.960 180 HB VAL 26 HB VAL 26 3.507 6.982 -0.900 181 HG11 VAL 26 HG11 VAL 26 3.043 4.655 -0.308 182 HG12 VAL 26 HG12 VAL 26 4.113 4.113 -1.602 183 HG13 VAL 26 HG13 VAL 26 2.630 4.983 -1.991 184 HG21 VAL 26 HG21 VAL 26 4.881 5.846 0.779 185 HG22 VAL 26 HG22 VAL 26 5.788 7.085 -0.087 186 HG23 VAL 26 HG23 VAL 26 6.027 5.383 -0.480 187 H LYS 27 HN LYS 27 5.121 6.809 -5.011 188 HA LYS 27 HA LYS 27 2.435 7.813 -5.618 189 HB2 LYS 27 HB2 LYS 27 4.961 7.836 -7.274 190 HB3 LYS 27 HB1 LYS 27 3.412 8.526 -7.731 191 HG2 LYS 27 HG2 LYS 27 5.022 9.406 -5.356 192 HG3 LYS 27 HG1 LYS 27 5.025 10.200 -6.929 193 HD2 LYS 27 HD2 LYS 27 2.582 10.563 -6.688 194 HD3 LYS 27 HD1 LYS 27 2.669 9.871 -5.067 195 HE2 LYS 27 HE2 LYS 27 2.706 12.313 -4.982 196 HE3 LYS 27 HE1 LYS 27 4.225 11.638 -4.397 197 HZ1 LYS 27 HZ1 LYS 27 4.602 13.527 -5.859 198 HZ2 LYS 27 HZ2 LYS 27 3.756 12.762 -7.112 199 HZ3 LYS 27 HZ3 LYS 27 5.223 12.132 -6.565 200 H LEU 28 HN LEU 28 1.572 7.135 -7.906 201 HA LEU 28 HA LEU 28 1.074 4.411 -7.749 202 HB2 LEU 28 HB2 LEU 28 0.364 6.423 -9.863 203 HB3 LEU 28 HB1 LEU 28 -0.054 4.730 -10.030 204 HG LEU 28 HG LEU 28 -1.185 4.977 -7.764 205 HD11 LEU 28 HD11 LEU 28 -1.015 7.870 -8.402 206 HD12 LEU 28 HD12 LEU 28 -0.291 6.989 -7.038 207 HD13 LEU 28 HD13 LEU 28 -2.048 7.098 -7.187 208 HD21 LEU 28 HD21 LEU 28 -2.493 4.677 -9.779 209 HD22 LEU 28 HD22 LEU 28 -2.379 6.403 -10.134 210 HD23 LEU 28 HD23 LEU 28 -3.275 5.855 -8.723 211 H ASP 29 HN ASP 29 3.603 5.981 -9.365 212 HA ASP 29 HA ASP 29 4.068 3.663 -11.099 213 HB2 ASP 29 HB2 ASP 29 5.471 6.329 -10.937 214 HB3 ASP 29 HB1 ASP 29 5.966 5.022 -12.004 215 H LYS 30 HN LYS 30 4.566 4.052 -8.001 216 HA LYS 30 HA LYS 30 7.387 3.274 -8.026 217 HB2 LYS 30 HB2 LYS 30 5.666 4.239 -5.735 218 HB3 LYS 30 HB1 LYS 30 7.401 3.960 -5.705 219 HG2 LYS 30 HG2 LYS 30 6.159 5.995 -7.529 220 HG3 LYS 30 HG1 LYS 30 6.562 6.367 -5.862 221 HD2 LYS 30 HD2 LYS 30 8.535 5.343 -7.906 222 HD3 LYS 30 HD1 LYS 30 8.291 7.053 -7.536 223 HE2 LYS 30 HE2 LYS 30 8.790 6.441 -5.116 224 HE3 LYS 30 HE1 LYS 30 9.332 4.883 -5.727 225 HZ1 LYS 30 HZ1 LYS 30 10.975 6.104 -7.120 226 HZ2 LYS 30 HZ2 LYS 30 11.190 6.358 -5.467 227 HZ3 LYS 30 HZ3 LYS 30 10.464 7.542 -6.383 228 H SER 31 HN SER 31 7.639 1.138 -7.874 229 HA SER 31 HA SER 31 5.547 -0.542 -6.849 230 HB2 SER 31 HB2 SER 31 8.362 -1.147 -7.801 231 HB3 SER 31 HB1 SER 31 7.168 -2.373 -7.376 232 HG SER 31 HG SER 31 7.105 -0.510 -9.531 233 H PHE 32 HN PHE 32 5.485 -1.313 -4.847 234 HA PHE 32 HA PHE 32 6.917 -0.136 -2.755 235 HB2 PHE 32 HB2 PHE 32 5.353 -2.713 -2.817 236 HB3 PHE 32 HB1 PHE 32 6.053 -2.046 -1.348 237 HD1 PHE 32 HD2 PHE 32 3.699 -1.336 -4.094 238 HD2 PHE 32 HD1 PHE 32 4.952 -0.382 -0.151 239 HE1 PHE 32 HE2 PHE 32 1.696 0.065 -3.801 240 HE2 PHE 32 HE1 PHE 32 2.964 1.018 0.151 241 HZ PHE 32 HZ PHE 32 1.320 1.223 -1.670 242 H THR 33 HN THR 33 7.317 -3.452 -4.001 243 HA THR 33 HA THR 33 9.715 -3.672 -2.480 244 HB THR 33 HB THR 33 9.645 -6.006 -3.639 245 HG1 THR 33 HG1 THR 33 7.061 -6.143 -3.925 246 HG21 THR 33 HG21 THR 33 9.113 -5.596 -1.264 247 HG22 THR 33 HG22 THR 33 8.007 -6.779 -1.965 248 HG23 THR 33 HG23 THR 33 7.477 -5.115 -1.717 249 H ASP 34 HN ASP 34 10.005 -1.676 -4.408 250 HA ASP 34 HA ASP 34 12.328 -2.650 -5.825 251 HB2 ASP 34 HB2 ASP 34 10.530 -3.186 -7.468 252 HB3 ASP 34 HB1 ASP 34 10.066 -1.487 -7.461 253 H ASP 35 HN ASP 35 10.050 0.081 -6.069 254 HA ASP 35 HA ASP 35 12.206 1.976 -6.377 255 HB2 ASP 35 HB2 ASP 35 9.222 2.401 -6.144 256 HB3 ASP 35 HB1 ASP 35 10.400 3.627 -6.570 257 H LEU 36 HN LEU 36 9.932 0.966 -3.987 258 HA LEU 36 HA LEU 36 10.570 3.213 -2.256 259 HB2 LEU 36 HB2 LEU 36 8.576 0.989 -1.934 260 HB3 LEU 36 HB1 LEU 36 8.720 2.373 -0.878 261 HG LEU 36 HG LEU 36 7.863 2.377 -3.767 262 HD11 LEU 36 HD11 LEU 36 5.721 3.130 -2.878 263 HD12 LEU 36 HD12 LEU 36 6.347 2.975 -1.237 264 HD13 LEU 36 HD13 LEU 36 6.167 1.543 -2.251 265 HD21 LEU 36 HD21 LEU 36 8.188 4.684 -1.852 266 HD22 LEU 36 HD22 LEU 36 7.443 4.763 -3.453 267 HD23 LEU 36 HD23 LEU 36 9.151 4.350 -3.296 268 H ASP 37 HN ASP 37 10.256 -0.282 -1.901 269 HA ASP 37 HA ASP 37 11.013 -1.798 -0.528 270 HB2 ASP 37 HB2 ASP 37 13.350 -1.339 -1.095 271 HB3 ASP 37 HB1 ASP 37 13.387 0.008 0.049 272 H VAL 38 HN VAL 38 9.822 -2.172 1.022 273 HA VAL 38 HA VAL 38 9.879 -0.250 3.231 274 HB VAL 38 HB VAL 38 7.470 -1.963 2.615 275 HG11 VAL 38 HG11 VAL 38 7.631 -1.066 4.863 276 HG12 VAL 38 HG12 VAL 38 6.315 -0.277 3.989 277 HG13 VAL 38 HG13 VAL 38 7.848 0.561 4.219 278 HG21 VAL 38 HG21 VAL 38 7.920 0.883 1.687 279 HG22 VAL 38 HG22 VAL 38 6.403 -0.005 1.560 280 HG23 VAL 38 HG23 VAL 38 7.817 -0.541 0.651 281 H ASP 39 HN ASP 39 11.754 -1.971 3.265 282 HA ASP 39 HA ASP 39 12.840 -3.567 4.481 283 HB2 ASP 39 HB2 ASP 39 11.577 -2.338 6.331 284 HB3 ASP 39 HB1 ASP 39 10.375 -3.622 6.153 285 H SER 40 HN SER 40 10.828 -4.079 2.512 286 HA SER 40 HA SER 40 9.839 -5.582 1.293 287 HB2 SER 40 HB2 SER 40 11.082 -7.785 0.925 288 HB3 SER 40 HB1 SER 40 11.983 -6.309 0.819 289 H LEU 41 HN LEU 41 10.273 -7.671 4.199 290 HA LEU 41 HA LEU 41 7.721 -8.820 3.575 291 HB2 LEU 41 HB2 LEU 41 7.909 -10.077 5.703 292 HB3 LEU 41 HB1 LEU 41 9.290 -10.273 4.659 293 HG LEU 41 HG LEU 41 10.551 -8.681 6.153 294 HD11 LEU 41 HD11 LEU 41 8.195 -9.049 8.009 295 HD12 LEU 41 HD12 LEU 41 8.610 -7.570 7.158 296 HD13 LEU 41 HD13 LEU 41 9.714 -8.211 8.385 297 HD21 LEU 41 HD21 LEU 41 10.905 -10.338 7.910 298 HD22 LEU 41 HD22 LEU 41 10.821 -11.078 6.311 299 HD23 LEU 41 HD23 LEU 41 9.441 -11.180 7.403 300 H SER 42 HN SER 42 8.819 -6.236 5.430 301 HA SER 42 HA SER 42 6.618 -5.931 7.129 302 HB2 SER 42 HB2 SER 42 8.680 -3.910 6.252 303 HB3 SER 42 HB1 SER 42 7.547 -3.689 7.590 304 HG SER 42 HG SER 42 9.896 -5.123 7.535 305 H MET 43 HN MET 43 6.885 -5.463 3.872 306 HA MET 43 HA MET 43 5.278 -3.385 3.242 307 HB2 MET 43 HB2 MET 43 6.286 -4.665 1.452 308 HB3 MET 43 HB1 MET 43 5.449 -6.122 1.962 309 HG2 MET 43 HG2 MET 43 4.054 -3.708 0.962 310 HG3 MET 43 HG1 MET 43 4.742 -4.940 -0.123 311 HE1 MET 43 HE1 MET 43 4.116 -7.615 1.421 312 HE2 MET 43 HE2 MET 43 3.786 -7.373 -0.297 313 HE3 MET 43 HE3 MET 43 2.537 -8.047 0.757 314 H VAL 44 HN VAL 44 4.395 -6.614 4.115 315 HA VAL 44 HA VAL 44 1.639 -6.532 3.897 316 HB VAL 44 HB VAL 44 3.181 -8.097 5.991 317 HG11 VAL 44 HG11 VAL 44 0.794 -8.034 6.488 318 HG12 VAL 44 HG12 VAL 44 1.277 -9.648 5.966 319 HG13 VAL 44 HG13 VAL 44 0.425 -8.578 4.851 320 HG21 VAL 44 HG21 VAL 44 2.355 -8.866 3.189 321 HG22 VAL 44 HG22 VAL 44 3.116 -9.934 4.373 322 HG23 VAL 44 HG23 VAL 44 3.997 -8.531 3.756 323 H GLU 45 HN GLU 45 3.674 -5.482 6.553 324 HA GLU 45 HA GLU 45 1.595 -4.968 8.404 325 HB2 GLU 45 HB2 GLU 45 4.391 -3.846 8.286 326 HB3 GLU 45 HB1 GLU 45 3.309 -3.741 9.672 327 HG2 GLU 45 HG2 GLU 45 3.233 -6.227 9.716 328 HG3 GLU 45 HG1 GLU 45 4.436 -6.228 8.447 329 H VAL 46 HN VAL 46 3.245 -3.005 6.006 330 HA VAL 46 HA VAL 46 2.036 -0.527 6.406 331 HB VAL 46 HB VAL 46 2.578 -1.889 3.742 332 HG11 VAL 46 HG11 VAL 46 2.272 1.051 4.363 333 HG12 VAL 46 HG12 VAL 46 1.132 0.056 3.461 334 HG13 VAL 46 HG13 VAL 46 2.736 0.374 2.802 335 HG21 VAL 46 HG21 VAL 46 4.315 -0.090 5.393 336 HG22 VAL 46 HG22 VAL 46 4.691 -0.684 3.773 337 HG23 VAL 46 HG23 VAL 46 4.548 -1.814 5.118 338 H VAL 47 HN VAL 47 0.995 -3.240 4.387 339 HA VAL 47 HA VAL 47 -1.462 -2.380 3.488 340 HB VAL 47 HB VAL 47 -0.741 -5.201 4.335 341 HG11 VAL 47 HG11 VAL 47 -3.150 -4.941 3.985 342 HG12 VAL 47 HG12 VAL 47 -2.433 -5.911 2.696 343 HG13 VAL 47 HG13 VAL 47 -2.853 -4.225 2.400 344 HG21 VAL 47 HG21 VAL 47 -0.123 -5.503 1.992 345 HG22 VAL 47 HG22 VAL 47 0.858 -4.264 2.778 346 HG23 VAL 47 HG23 VAL 47 -0.449 -3.797 1.694 347 H VAL 48 HN VAL 48 -0.864 -4.314 6.418 348 HA VAL 48 HA VAL 48 -3.418 -4.387 7.499 349 HB VAL 48 HB VAL 48 -0.805 -4.118 9.028 350 HG11 VAL 48 HG11 VAL 48 -2.724 -3.685 10.468 351 HG12 VAL 48 HG12 VAL 48 -1.962 -5.222 10.876 352 HG13 VAL 48 HG13 VAL 48 -3.464 -5.200 9.947 353 HG21 VAL 48 HG21 VAL 48 -0.785 -6.000 7.487 354 HG22 VAL 48 HG22 VAL 48 -2.315 -6.577 8.149 355 HG23 VAL 48 HG23 VAL 48 -0.866 -6.563 9.156 356 H ALA 49 HN ALA 49 -1.014 -1.832 7.887 357 HA ALA 49 HA ALA 49 -2.632 -0.243 9.643 358 HB1 ALA 49 HB1 ALA 49 -0.153 0.520 8.110 359 HB2 ALA 49 HB2 ALA 49 -0.192 -0.166 9.736 360 HB3 ALA 49 HB3 ALA 49 -0.879 1.430 9.436 361 H ALA 50 HN ALA 50 -2.144 -0.448 6.232 362 HA ALA 50 HA ALA 50 -3.511 1.968 5.560 363 HB1 ALA 50 HB1 ALA 50 -2.990 -0.510 3.898 364 HB2 ALA 50 HB2 ALA 50 -1.946 0.909 3.987 365 HB3 ALA 50 HB3 ALA 50 -3.554 1.040 3.277 366 H GLU 51 HN GLU 51 -4.366 -1.416 5.971 367 HA GLU 51 HA GLU 51 -7.054 -1.292 5.275 368 HB2 GLU 51 HB2 GLU 51 -5.742 -2.996 7.403 369 HB3 GLU 51 HB1 GLU 51 -7.376 -3.227 6.807 370 HG2 GLU 51 HG2 GLU 51 -6.466 -3.668 4.570 371 HG3 GLU 51 HG1 GLU 51 -4.835 -3.505 5.226 372 H GLU 52 HN GLU 52 -5.362 -0.438 8.128 373 HA GLU 52 HA GLU 52 -7.562 0.160 9.797 374 HB2 GLU 52 HB2 GLU 52 -5.273 -0.203 10.578 375 HB3 GLU 52 HB1 GLU 52 -4.752 1.242 9.739 376 HG2 GLU 52 HG2 GLU 52 -6.211 2.572 11.213 377 HG3 GLU 52 HG1 GLU 52 -6.601 1.092 12.095 378 H ARG 53 HN ARG 53 -5.406 2.169 7.823 379 HA ARG 53 HA ARG 53 -6.520 4.674 8.164 380 HB2 ARG 53 HB2 ARG 53 -4.385 4.512 7.118 381 HB3 ARG 53 HB1 ARG 53 -5.025 3.485 5.840 382 HG2 ARG 53 HG2 ARG 53 -4.552 5.678 4.962 383 HG3 ARG 53 HG1 ARG 53 -6.283 5.385 4.942 384 HD2 ARG 53 HD2 ARG 53 -6.398 6.717 7.095 385 HD3 ARG 53 HD1 ARG 53 -4.712 7.164 6.804 386 HE ARG 53 HE ARG 53 -6.872 7.705 4.873 387 HH11 ARG 53 HH11 ARG 53 -4.004 8.853 6.631 388 HH12 ARG 53 HH12 ARG 53 -4.031 10.394 5.899 389 HH21 ARG 53 HH21 ARG 53 -6.869 9.835 3.889 390 HH22 ARG 53 HH22 ARG 53 -5.660 10.944 4.271 391 H PHE 54 HN PHE 54 -7.297 2.391 5.550 392 HA PHE 54 HA PHE 54 -9.381 4.260 4.621 393 HB2 PHE 54 HB2 PHE 54 -8.644 1.647 3.320 394 HB3 PHE 54 HB1 PHE 54 -9.480 3.020 2.607 395 HD1 PHE 54 HD1 PHE 54 -8.091 5.249 2.794 396 HD2 PHE 54 HD2 PHE 54 -6.481 1.336 2.699 397 HE1 PHE 54 HE1 PHE 54 -5.958 6.152 1.901 398 HE2 PHE 54 HE2 PHE 54 -4.358 2.210 1.820 399 HZ PHE 54 HZ PHE 54 -4.014 4.555 1.565 400 H ASP 55 HN ASP 55 -9.168 1.802 6.753 401 HA ASP 55 HA ASP 55 -10.453 0.192 7.622 402 HB2 ASP 55 HB2 ASP 55 -11.992 2.185 7.966 403 HB3 ASP 55 HB1 ASP 55 -12.822 1.724 6.482 404 H VAL 56 HN VAL 56 -9.336 -0.241 5.229 405 HA VAL 56 HA VAL 56 -11.276 -1.639 3.577 406 HB VAL 56 HB VAL 56 -9.383 -0.131 2.603 407 HG11 VAL 56 HG11 VAL 56 -7.449 -0.985 3.749 408 HG12 VAL 56 HG12 VAL 56 -7.291 -1.255 2.000 409 HG13 VAL 56 HG13 VAL 56 -7.720 -2.583 3.038 410 HG21 VAL 56 HG21 VAL 56 -9.817 -2.869 1.447 411 HG22 VAL 56 HG22 VAL 56 -9.137 -1.492 0.580 412 HG23 VAL 56 HG23 VAL 56 -10.800 -1.433 1.164 413 H LYS 57 HN LYS 57 -10.080 -3.777 2.654 414 HA LYS 57 HA LYS 57 -8.947 -5.339 4.836 415 HB2 LYS 57 HB2 LYS 57 -11.432 -6.226 3.322 416 HB3 LYS 57 HB1 LYS 57 -10.493 -7.252 4.383 417 HG2 LYS 57 HG2 LYS 57 -12.337 -6.682 5.664 418 HG3 LYS 57 HG1 LYS 57 -11.110 -5.545 6.217 419 HD2 LYS 57 HD2 LYS 57 -12.060 -3.820 4.758 420 HD3 LYS 57 HD1 LYS 57 -13.279 -4.967 4.197 421 HE2 LYS 57 HE2 LYS 57 -12.916 -3.959 7.018 422 HE3 LYS 57 HE1 LYS 57 -14.199 -3.496 5.902 423 HZ1 LYS 57 HZ1 LYS 57 -13.774 -6.139 7.179 424 HZ2 LYS 57 HZ2 LYS 57 -14.748 -5.965 5.862 425 HZ3 LYS 57 HZ3 LYS 57 -15.138 -5.139 7.294 426 H ILE 58 HN ILE 58 -7.175 -6.104 3.930 427 HA ILE 58 HA ILE 58 -7.434 -7.270 1.263 428 HB ILE 58 HB ILE 58 -4.960 -5.614 1.865 429 HG12 ILE 58 HG12 ILE 58 -7.391 -4.678 0.300 430 HG13 ILE 58 HG11 ILE 58 -6.942 -4.075 1.888 431 HG21 ILE 58 HG21 ILE 58 -4.729 -5.729 -0.578 432 HG22 ILE 58 HG22 ILE 58 -6.289 -6.539 -0.667 433 HG23 ILE 58 HG23 ILE 58 -4.920 -7.361 0.097 434 HD11 ILE 58 HD11 ILE 58 -6.270 -2.540 0.131 435 HD12 ILE 58 HD12 ILE 58 -5.314 -3.812 -0.630 436 HD13 ILE 58 HD13 ILE 58 -4.859 -3.198 0.959 437 HA PRO 59 HA PRO 59 -5.401 -10.317 3.963 438 HB2 PRO 59 HB2 PRO 59 -6.118 -12.029 1.652 439 HB3 PRO 59 HB1 PRO 59 -6.478 -12.246 3.370 440 HG2 PRO 59 HG2 PRO 59 -8.386 -11.551 1.648 441 HG3 PRO 59 HG1 PRO 59 -8.342 -10.887 3.293 442 HD2 PRO 59 HD2 PRO 59 -7.494 -9.631 0.716 443 HD3 PRO 59 HD1 PRO 59 -8.383 -8.916 2.080 444 H ASP 60 HN ASP 60 -3.554 -11.784 3.555 445 HA ASP 60 HA ASP 60 -1.562 -10.566 1.989 446 HB2 ASP 60 HB2 ASP 60 -0.109 -12.473 2.499 447 HB3 ASP 60 HB1 ASP 60 -0.918 -11.881 3.944 448 H ASP 61 HN ASP 61 -3.716 -13.223 1.334 449 HA ASP 61 HA ASP 61 -2.489 -14.131 -1.021 450 HB2 ASP 61 HB2 ASP 61 -4.204 -15.464 0.062 451 HB3 ASP 61 HB1 ASP 61 -5.403 -14.206 -0.224 452 H ASP 62 HN ASP 62 -4.573 -11.487 -0.342 453 HA ASP 62 HA ASP 62 -5.122 -10.865 -3.090 454 HB2 ASP 62 HB2 ASP 62 -5.836 -9.608 -0.471 455 HB3 ASP 62 HB1 ASP 62 -5.965 -8.657 -1.941 456 H VAL 63 HN VAL 63 -2.973 -9.638 -0.549 457 HA VAL 63 HA VAL 63 -2.241 -7.387 -2.087 458 HB VAL 63 HB VAL 63 -2.113 -7.449 0.399 459 HG11 VAL 63 HG11 VAL 63 0.410 -9.029 -0.017 460 HG12 VAL 63 HG12 VAL 63 -1.094 -9.643 0.651 461 HG13 VAL 63 HG13 VAL 63 -0.189 -8.393 1.520 462 HG21 VAL 63 HG21 VAL 63 -1.043 -5.692 -0.833 463 HG22 VAL 63 HG22 VAL 63 0.402 -6.683 -1.040 464 HG23 VAL 63 HG23 VAL 63 -0.065 -6.127 0.567 465 H LYS 64 HN LYS 64 -1.087 -10.617 -2.107 466 HA LYS 64 HA LYS 64 1.510 -10.041 -3.091 467 HB2 LYS 64 HB2 LYS 64 1.701 -12.421 -3.610 468 HB3 LYS 64 HB1 LYS 64 1.029 -12.165 -2.011 469 HG2 LYS 64 HG2 LYS 64 -1.229 -12.554 -2.981 470 HG3 LYS 64 HG1 LYS 64 -0.435 -12.996 -4.493 471 HD2 LYS 64 HD2 LYS 64 0.748 -14.796 -3.378 472 HD3 LYS 64 HD1 LYS 64 0.049 -14.317 -1.827 473 HE2 LYS 64 HE2 LYS 64 -2.221 -14.696 -2.906 474 HE3 LYS 64 HE1 LYS 64 -1.345 -15.449 -4.227 475 HZ1 LYS 64 HZ1 LYS 64 -0.572 -17.156 -2.844 476 HZ2 LYS 64 HZ2 LYS 64 -2.222 -16.945 -2.407 477 HZ3 LYS 64 HZ3 LYS 64 -1.005 -16.321 -1.436 478 H ASN 65 HN ASN 65 -1.399 -9.577 -4.574 479 HA ASN 65 HA ASN 65 -0.479 -10.182 -7.277 480 HB2 ASN 65 HB2 ASN 65 -3.131 -9.024 -6.372 481 HB3 ASN 65 HB1 ASN 65 -2.722 -9.598 -7.980 482 HD21 ASN 65 HD21 ASN 65 -3.779 -10.413 -4.859 483 HD22 ASN 65 HD22 ASN 65 -4.036 -12.097 -5.098 484 H LEU 66 HN LEU 66 -0.006 -7.794 -5.098 485 HA LEU 66 HA LEU 66 -0.556 -5.634 -6.928 486 HB2 LEU 66 HB2 LEU 66 0.268 -5.570 -4.032 487 HB3 LEU 66 HB1 LEU 66 -0.038 -4.147 -5.016 488 HG LEU 66 HG LEU 66 -2.057 -6.271 -4.297 489 HD11 LEU 66 HD11 LEU 66 -3.160 -4.492 -3.054 490 HD12 LEU 66 HD12 LEU 66 -1.837 -3.395 -3.449 491 HD13 LEU 66 HD13 LEU 66 -1.541 -4.810 -2.436 492 HD21 LEU 66 HD21 LEU 66 -3.679 -4.830 -5.412 493 HD22 LEU 66 HD22 LEU 66 -2.447 -5.417 -6.529 494 HD23 LEU 66 HD23 LEU 66 -2.373 -3.763 -5.926 495 H LYS 67 HN LYS 67 1.218 -3.762 -6.475 496 HA LYS 67 HA LYS 67 3.876 -4.744 -7.034 497 HB2 LYS 67 HB2 LYS 67 2.728 -5.226 -9.088 498 HB3 LYS 67 HB1 LYS 67 2.072 -3.601 -9.157 499 HG2 LYS 67 HG2 LYS 67 4.489 -2.839 -9.304 500 HG3 LYS 67 HG1 LYS 67 4.875 -4.532 -9.689 501 HD2 LYS 67 HD2 LYS 67 3.039 -2.645 -11.170 502 HD3 LYS 67 HD1 LYS 67 4.551 -3.335 -11.756 503 HE2 LYS 67 HE2 LYS 67 3.539 -5.568 -11.766 504 HE3 LYS 67 HE1 LYS 67 2.037 -4.907 -11.126 505 HZ1 LYS 67 HZ1 LYS 67 1.843 -5.203 -13.477 506 HZ2 LYS 67 HZ2 LYS 67 3.243 -4.299 -13.762 507 HZ3 LYS 67 HZ3 LYS 67 1.859 -3.553 -13.131 508 H THR 68 HN THR 68 1.936 -1.980 -8.174 509 HA THR 68 HA THR 68 3.801 -0.157 -6.831 510 HB THR 68 HB THR 68 2.938 1.530 -8.408 511 HG1 THR 68 HG1 THR 68 1.427 -0.629 -9.556 512 HG21 THR 68 HG21 THR 68 3.786 -1.005 -9.828 513 HG22 THR 68 HG22 THR 68 4.875 0.199 -9.137 514 HG23 THR 68 HG23 THR 68 3.849 0.622 -10.508 515 H VAL 69 HN VAL 69 2.359 2.092 -6.484 516 HA VAL 69 HA VAL 69 0.186 1.143 -4.893 517 HB VAL 69 HB VAL 69 -0.106 3.127 -3.878 518 HG11 VAL 69 HG11 VAL 69 2.752 3.247 -4.595 519 HG12 VAL 69 HG12 VAL 69 1.941 2.408 -3.254 520 HG13 VAL 69 HG13 VAL 69 1.954 4.173 -3.310 521 HG21 VAL 69 HG21 VAL 69 1.048 4.656 -6.181 522 HG22 VAL 69 HG22 VAL 69 0.506 5.370 -4.664 523 HG23 VAL 69 HG23 VAL 69 -0.648 4.548 -5.715 524 H GLY 70 HN GLY 70 0.620 1.914 -8.071 525 HA2 GLY 70 HA2 GLY 70 -1.876 3.127 -8.621 526 HA3 GLY 70 HA1 GLY 70 -0.872 2.257 -9.786 527 H ASP 71 HN ASP 71 -0.570 -0.113 -8.663 528 HA ASP 71 HA ASP 71 -2.848 -1.659 -9.168 529 HB2 ASP 71 HB2 ASP 71 -0.503 -2.297 -7.351 530 HB3 ASP 71 HB1 ASP 71 -1.679 -3.468 -7.912 531 H ALA 72 HN ALA 72 -1.340 -0.677 -6.150 532 HA ALA 72 HA ALA 72 -3.141 -1.772 -4.365 533 HB1 ALA 72 HB1 ALA 72 -0.928 -0.942 -3.744 534 HB2 ALA 72 HB2 ALA 72 -2.193 -0.294 -2.701 535 HB3 ALA 72 HB3 ALA 72 -1.491 0.714 -3.969 536 H THR 73 HN THR 73 -3.164 1.515 -5.730 537 HA THR 73 HA THR 73 -5.082 2.653 -4.222 538 HB THR 73 HB THR 73 -4.555 3.102 -7.180 539 HG1 THR 73 HG1 THR 73 -2.797 3.554 -5.797 540 HG21 THR 73 HG21 THR 73 -6.760 4.019 -6.596 541 HG22 THR 73 HG22 THR 73 -5.581 5.305 -6.888 542 HG23 THR 73 HG23 THR 73 -6.033 4.882 -5.237 543 H LYS 74 HN LYS 74 -5.698 1.180 -7.465 544 HA LYS 74 HA LYS 74 -8.523 1.300 -7.328 545 HB2 LYS 74 HB2 LYS 74 -6.669 -0.369 -9.009 546 HB3 LYS 74 HB1 LYS 74 -8.404 -0.554 -9.102 547 HG2 LYS 74 HG2 LYS 74 -7.579 0.780 -10.917 548 HG3 LYS 74 HG1 LYS 74 -8.610 1.747 -9.865 549 HD2 LYS 74 HD2 LYS 74 -6.707 2.878 -8.948 550 HD3 LYS 74 HD1 LYS 74 -5.596 1.756 -9.731 551 HE2 LYS 74 HE2 LYS 74 -5.720 3.940 -10.889 552 HE3 LYS 74 HE1 LYS 74 -6.194 2.593 -11.912 553 HZ1 LYS 74 HZ1 LYS 74 -8.125 4.388 -10.512 554 HZ2 LYS 74 HZ2 LYS 74 -8.509 3.222 -11.680 555 HZ3 LYS 74 HZ3 LYS 74 -7.622 4.584 -12.094 556 H TYR 75 HN TYR 75 -6.232 -0.986 -6.170 557 HA TYR 75 HA TYR 75 -7.990 -3.197 -5.972 558 HB2 TYR 75 HB2 TYR 75 -5.405 -3.099 -6.037 559 HB3 TYR 75 HB1 TYR 75 -5.525 -2.822 -4.307 560 HD1 TYR 75 HD2 TYR 75 -6.373 -4.576 -2.841 561 HD2 TYR 75 HD1 TYR 75 -5.883 -5.179 -7.007 562 HE1 TYR 75 HE2 TYR 75 -6.544 -6.921 -2.474 563 HE2 TYR 75 HE1 TYR 75 -6.044 -7.591 -6.709 564 HH TYR 75 HH TYR 75 -7.124 -9.049 -3.875 565 H ILE 76 HN ILE 76 -6.725 -0.778 -3.749 566 HA ILE 76 HA ILE 76 -8.104 -1.574 -1.431 567 HB ILE 76 HB ILE 76 -6.972 1.106 -2.296 568 HG12 ILE 76 HG12 ILE 76 -5.964 -0.893 -0.272 569 HG13 ILE 76 HG11 ILE 76 -5.415 -0.846 -1.938 570 HG21 ILE 76 HG21 ILE 76 -7.184 1.818 0.046 571 HG22 ILE 76 HG22 ILE 76 -8.014 0.308 0.426 572 HG23 ILE 76 HG23 ILE 76 -8.759 1.470 -0.671 573 HD11 ILE 76 HD11 ILE 76 -4.560 1.425 -1.552 574 HD12 ILE 76 HD12 ILE 76 -3.836 0.238 -0.467 575 HD13 ILE 76 HD13 ILE 76 -5.096 1.327 0.127 576 H LEU 77 HN LEU 77 -8.814 0.792 -3.978 577 HA LEU 77 HA LEU 77 -11.247 1.709 -3.021 578 HB2 LEU 77 HB2 LEU 77 -10.323 1.378 -5.872 579 HB3 LEU 77 HB1 LEU 77 -11.774 2.243 -5.416 580 HG LEU 77 HG LEU 77 -8.967 3.009 -4.619 581 HD11 LEU 77 HD11 LEU 77 -9.373 3.332 -6.992 582 HD12 LEU 77 HD12 LEU 77 -9.284 4.878 -6.148 583 HD13 LEU 77 HD13 LEU 77 -10.851 4.221 -6.626 584 HD21 LEU 77 HD21 LEU 77 -11.596 4.423 -4.221 585 HD22 LEU 77 HD22 LEU 77 -10.004 5.068 -3.819 586 HD23 LEU 77 HD23 LEU 77 -10.630 3.661 -2.960 587 H ASP 78 HN ASP 78 -10.485 -1.132 -4.877 588 HA ASP 78 HA ASP 78 -13.124 -1.998 -5.395 589 HB2 ASP 78 HB2 ASP 78 -11.251 -2.802 -6.693 590 HB3 ASP 78 HB1 ASP 78 -10.519 -3.512 -5.263 591 H HIS 79 HN HIS 79 -10.773 -2.873 -2.926 592 HA HIS 79 HA HIS 79 -12.566 -4.718 -1.671 593 HB2 HIS 79 HB2 HIS 79 -9.764 -3.991 -1.264 594 HB3 HIS 79 HB1 HIS 79 -10.627 -4.549 0.166 595 HD1 HIS 79 HD1 HIS 79 -11.689 -6.964 0.030 596 HD2 HIS 79 HD2 HIS 79 -9.111 -5.973 -3.078 597 HE1 HIS 79 HE1 HIS 79 -11.067 -9.125 -1.036 598 HE2 HIS 79 HE2 HIS 79 -9.259 -8.533 -2.635 599 H GLN 80 HN GLN 80 -12.827 -1.482 -1.493 600 HA GLN 80 HA GLN 80 -13.336 -1.500 1.388 601 HB2 GLN 80 HB2 GLN 80 -13.147 0.890 1.304 602 HB3 GLN 80 HB1 GLN 80 -11.702 0.143 0.626 603 HG2 GLN 80 HG2 GLN 80 -12.588 0.587 -1.635 604 HG3 GLN 80 HG1 GLN 80 -13.983 1.375 -0.911 605 HE21 GLN 80 HE21 GLN 80 -10.707 1.697 0.298 606 HE22 GLN 80 HE22 GLN 80 -10.542 3.365 -0.126 607 H ALA 81 HN ALA 81 -15.108 0.019 2.016 608 HA ALA 81 HA ALA 81 -17.396 -0.201 0.206 609 HB1 ALA 81 HB1 ALA 81 -18.761 -0.045 2.267 610 HB2 ALA 81 HB2 ALA 81 -17.286 0.010 3.227 611 HB3 ALA 81 HB3 ALA 81 -17.686 -1.443 2.311 612 H2 SOO 101 H2A SOO 101 4.574 -4.728 -2.654 613 H3 SOO 101 H3A SOO 101 1.673 -5.749 -2.366 614 H4 SOO 101 H4A SOO 101 2.811 -3.490 -0.957 615 H4A SOO 101 H4B SOO 101 2.528 -2.923 -2.607 616 H5 SOO 101 H5A SOO 101 0.446 -4.305 -0.934 617 H5A SOO 101 H5B SOO 101 0.205 -3.444 -2.451 618 H6 SOO 101 H6A SOO 101 0.779 -1.343 -1.380 619 H6A SOO 101 H6B SOO 101 1.080 -2.188 0.142 620 H7 SOO 101 H7A SOO 101 -1.276 -2.915 0.191 621 H7A SOO 101 H7B SOO 101 -1.565 -2.015 -1.311 622 H8 SOO 101 H8C SOO 101 -2.254 -0.734 0.656 623 H8A SOO 101 H8A SOO 101 -0.912 0.050 -0.177 624 H8B SOO 101 H8B SOO 101 -0.619 -0.856 1.308 625 H28 SOO 101 H28A SOO 101 9.981 -10.398 2.728 626 H28A SOO 101 H28B SOO 101 9.880 -9.066 1.618 627 H30 SOO 101 H30A SOO 101 10.707 -11.426 -1.286 628 H30A SOO 101 H30B SOO 101 11.966 -10.815 -0.207 629 H30B SOO 101 H30C SOO 101 10.736 -9.720 -0.845 630 H31 SOO 101 H31A SOO 101 11.338 -12.540 1.480 631 H31A SOO 101 H31B SOO 101 10.056 -13.151 0.436 632 H31B SOO 101 H31C SOO 101 9.679 -12.623 2.076 633 H32 SOO 101 H32A SOO 101 8.346 -9.889 -0.098 634 HO33 SOO 101 H33A SOO 101 8.399 -12.650 -0.614 635 HN36 SOO 101 H36A SOO 101 6.601 -11.896 -0.213 636 H37 SOO 101 H37A SOO 101 5.412 -12.862 2.219 637 H37A SOO 101 H37B SOO 101 4.774 -11.286 1.811 638 H38 SOO 101 H38A SOO 101 4.503 -13.768 0.140 639 H38A SOO 101 H38B SOO 101 3.234 -12.697 0.840 640 HN41 SOO 101 H41A SOO 101 4.805 -10.492 -0.007 641 H42 SOO 101 H42A SOO 101 5.068 -10.365 -2.870 642 H42A SOO 101 H42B SOO 101 3.647 -9.498 -2.277 643 H43 SOO 101 H43A SOO 101 6.526 -9.007 -1.461 644 H43A SOO 101 H43B SOO 101 5.111 -8.188 -0.787 Start of MODEL 13 1 H1 ALA 1 HT1 ALA 1 -15.565 6.304 2.524 2 H2 ALA 1 HT2 ALA 1 -14.282 5.307 2.974 3 H3 ALA 1 HT3 ALA 1 -15.745 4.608 2.442 4 HA ALA 1 HA ALA 1 -14.053 4.515 0.751 5 HB1 ALA 1 HB1 ALA 1 -15.205 5.718 -1.045 6 HB2 ALA 1 HB2 ALA 1 -16.119 6.637 0.151 7 HB3 ALA 1 HB3 ALA 1 -16.358 4.894 0.005 8 H ALA 2 HN ALA 2 -12.568 5.674 -0.629 9 HA ALA 2 HA ALA 2 -11.794 8.337 0.292 10 HB1 ALA 2 HB1 ALA 2 -9.893 5.982 0.134 11 HB2 ALA 2 HB2 ALA 2 -10.438 6.772 1.614 12 HB3 ALA 2 HB3 ALA 2 -9.438 7.654 0.461 13 H THR 3 HN THR 3 -9.745 8.952 -1.264 14 HA THR 3 HA THR 3 -10.552 8.154 -3.964 15 HB THR 3 HB THR 3 -9.603 10.396 -4.611 16 HG1 THR 3 HG1 THR 3 -9.602 11.844 -2.609 17 HG21 THR 3 HG21 THR 3 -11.519 11.702 -3.799 18 HG22 THR 3 HG22 THR 3 -11.847 10.464 -2.589 19 HG23 THR 3 HG23 THR 3 -12.040 10.090 -4.307 20 H GLN 4 HN GLN 4 -8.520 8.732 -5.528 21 HA GLN 4 HA GLN 4 -6.397 7.100 -4.788 22 HB2 GLN 4 HB2 GLN 4 -7.050 7.372 -7.080 23 HB3 GLN 4 HB1 GLN 4 -6.831 9.100 -7.018 24 HG2 GLN 4 HG2 GLN 4 -4.459 7.349 -6.563 25 HG3 GLN 4 HG1 GLN 4 -5.117 7.458 -8.192 26 HE21 GLN 4 HE21 GLN 4 -3.472 9.145 -5.652 27 HE22 GLN 4 HE22 GLN 4 -3.036 10.525 -6.578 28 H GLU 5 HN GLU 5 -6.947 10.542 -4.695 29 HA GLU 5 HA GLU 5 -4.349 11.381 -4.071 30 HB2 GLU 5 HB2 GLU 5 -6.217 12.838 -4.822 31 HB3 GLU 5 HB1 GLU 5 -6.993 12.610 -3.267 32 HG2 GLU 5 HG2 GLU 5 -5.887 14.765 -3.412 33 HG3 GLU 5 HG1 GLU 5 -5.154 13.753 -2.169 34 H GLU 6 HN GLU 6 -7.049 10.339 -2.032 35 HA GLU 6 HA GLU 6 -5.689 10.880 0.394 36 HB2 GLU 6 HB2 GLU 6 -8.159 9.270 -0.181 37 HB3 GLU 6 HB1 GLU 6 -7.535 9.561 1.438 38 HG2 GLU 6 HG2 GLU 6 -8.438 11.661 -0.518 39 HG3 GLU 6 HG1 GLU 6 -9.344 11.090 0.884 40 H ILE 7 HN ILE 7 -6.159 8.027 -1.595 41 HA ILE 7 HA ILE 7 -5.093 6.188 0.249 42 HB ILE 7 HB ILE 7 -5.420 6.009 -2.758 43 HG12 ILE 7 HG12 ILE 7 -6.888 4.724 -0.446 44 HG13 ILE 7 HG11 ILE 7 -7.463 6.085 -1.401 45 HG21 ILE 7 HG21 ILE 7 -3.545 4.559 -2.115 46 HG22 ILE 7 HG22 ILE 7 -4.955 3.596 -2.561 47 HG23 ILE 7 HG23 ILE 7 -4.541 3.814 -0.861 48 HD11 ILE 7 HD11 ILE 7 -7.555 4.652 -3.370 49 HD12 ILE 7 HD12 ILE 7 -8.539 4.014 -2.050 50 HD13 ILE 7 HD13 ILE 7 -6.966 3.298 -2.406 51 H VAL 8 HN VAL 8 -3.581 7.582 -2.639 52 HA VAL 8 HA VAL 8 -1.042 6.510 -2.376 53 HB VAL 8 HB VAL 8 -1.965 9.160 -3.529 54 HG11 VAL 8 HG11 VAL 8 0.431 9.331 -3.028 55 HG12 VAL 8 HG12 VAL 8 0.131 9.246 -4.765 56 HG13 VAL 8 HG13 VAL 8 0.716 7.821 -3.901 57 HG21 VAL 8 HG21 VAL 8 -2.877 7.186 -4.571 58 HG22 VAL 8 HG22 VAL 8 -1.258 6.518 -4.771 59 HG23 VAL 8 HG23 VAL 8 -1.728 7.976 -5.648 60 H ALA 9 HN ALA 9 -2.016 9.764 -1.287 61 HA ALA 9 HA ALA 9 0.373 10.341 0.052 62 HB1 ALA 9 HB1 ALA 9 -0.830 12.219 1.028 63 HB2 ALA 9 HB2 ALA 9 -2.364 11.497 0.539 64 HB3 ALA 9 HB3 ALA 9 -1.219 12.043 -0.683 65 H GLY 10 HN GLY 10 -2.404 8.497 1.094 66 HA2 GLY 10 HA2 GLY 10 -1.810 8.806 3.915 67 HA3 GLY 10 HA1 GLY 10 -3.072 7.805 3.205 68 H LEU 11 HN LEU 11 -1.577 6.347 1.414 69 HA LEU 11 HA LEU 11 -0.692 4.160 2.830 70 HB2 LEU 11 HB2 LEU 11 -1.222 4.805 0.244 71 HB3 LEU 11 HB1 LEU 11 0.525 4.733 0.199 72 HG LEU 11 HG LEU 11 -1.331 2.533 1.039 73 HD11 LEU 11 HD11 LEU 11 -1.455 2.954 -1.341 74 HD12 LEU 11 HD12 LEU 11 -0.625 1.428 -1.042 75 HD13 LEU 11 HD13 LEU 11 0.302 2.867 -1.474 76 HD21 LEU 11 HD21 LEU 11 0.655 1.075 1.006 77 HD22 LEU 11 HD22 LEU 11 0.801 2.360 2.207 78 HD23 LEU 11 HD23 LEU 11 1.666 2.483 0.678 79 H ALA 12 HN ALA 12 1.005 6.839 1.339 80 HA ALA 12 HA ALA 12 3.622 6.061 1.804 81 HB1 ALA 12 HB1 ALA 12 4.208 8.339 1.392 82 HB2 ALA 12 HB2 ALA 12 2.525 8.843 1.611 83 HB3 ALA 12 HB3 ALA 12 2.977 7.795 0.257 84 H GLU 13 HN GLU 13 1.358 7.703 3.946 85 HA GLU 13 HA GLU 13 3.345 8.400 5.842 86 HB2 GLU 13 HB2 GLU 13 0.353 8.203 6.074 87 HB3 GLU 13 HB1 GLU 13 1.380 8.656 7.430 88 HG2 GLU 13 HG2 GLU 13 2.241 10.540 6.091 89 HG3 GLU 13 HG1 GLU 13 1.108 10.108 4.812 90 H ILE 14 HN ILE 14 1.147 5.672 5.547 91 HA ILE 14 HA ILE 14 2.059 4.387 7.907 92 HB ILE 14 HB ILE 14 0.695 3.236 5.437 93 HG12 ILE 14 HG12 ILE 14 -1.174 2.765 7.051 94 HG13 ILE 14 HG11 ILE 14 -0.262 3.599 8.295 95 HG21 ILE 14 HG21 ILE 14 2.146 1.503 6.305 96 HG22 ILE 14 HG22 ILE 14 0.458 1.104 6.610 97 HG23 ILE 14 HG23 ILE 14 1.472 1.714 7.920 98 HD11 ILE 14 HD11 ILE 14 -1.352 4.810 5.771 99 HD12 ILE 14 HD12 ILE 14 -0.443 5.668 7.015 100 HD13 ILE 14 HD13 ILE 14 -2.027 4.984 7.392 101 H VAL 15 HN VAL 15 3.078 4.204 4.552 102 HA VAL 15 HA VAL 15 5.162 2.368 4.762 103 HB VAL 15 HB VAL 15 4.872 4.803 2.968 104 HG11 VAL 15 HG11 VAL 15 7.242 4.274 3.167 105 HG12 VAL 15 HG12 VAL 15 6.638 3.857 1.565 106 HG13 VAL 15 HG13 VAL 15 6.914 2.590 2.763 107 HG21 VAL 15 HG21 VAL 15 4.341 3.140 1.258 108 HG22 VAL 15 HG22 VAL 15 3.228 3.051 2.622 109 HG23 VAL 15 HG23 VAL 15 4.514 1.855 2.455 110 H ASN 16 HN ASN 16 5.083 5.797 5.420 111 HA ASN 16 HA ASN 16 7.811 6.169 5.973 112 HB2 ASN 16 HB2 ASN 16 6.129 7.939 5.439 113 HB3 ASN 16 HB1 ASN 16 5.491 7.741 7.066 114 HD21 ASN 16 HD21 ASN 16 8.151 8.727 5.163 115 HD22 ASN 16 HD22 ASN 16 8.956 9.695 6.328 116 H GLU 17 HN GLU 17 5.063 5.331 8.001 117 HA GLU 17 HA GLU 17 6.374 5.414 10.497 118 HB2 GLU 17 HB2 GLU 17 4.091 3.640 9.611 119 HB3 GLU 17 HB1 GLU 17 4.574 3.927 11.274 120 HG2 GLU 17 HG2 GLU 17 3.640 5.996 9.365 121 HG3 GLU 17 HG1 GLU 17 2.586 5.217 10.560 122 H ILE 18 HN ILE 18 5.598 2.697 8.394 123 HA ILE 18 HA ILE 18 6.883 0.663 9.846 124 HB ILE 18 HB ILE 18 6.325 0.810 6.878 125 HG12 ILE 18 HG12 ILE 18 4.334 1.187 8.193 126 HG13 ILE 18 HG11 ILE 18 4.249 -0.382 7.405 127 HG21 ILE 18 HG21 ILE 18 6.813 -1.588 8.640 128 HG22 ILE 18 HG22 ILE 18 7.898 -0.968 7.394 129 HG23 ILE 18 HG23 ILE 18 6.331 -1.642 6.944 130 HD11 ILE 18 HD11 ILE 18 4.871 -1.455 9.533 131 HD12 ILE 18 HD12 ILE 18 3.381 -0.520 9.657 132 HD13 ILE 18 HD13 ILE 18 4.888 0.130 10.311 133 H ALA 19 HN ALA 19 7.959 2.451 6.978 134 HA ALA 19 HA ALA 19 10.643 1.322 7.429 135 HB1 ALA 19 HB1 ALA 19 9.497 2.371 4.845 136 HB2 ALA 19 HB2 ALA 19 9.666 0.671 5.282 137 HB3 ALA 19 HB3 ALA 19 11.099 1.672 5.061 138 H GLY 20 HN GLY 20 9.131 4.194 6.096 139 HA2 GLY 20 HA2 GLY 20 9.845 6.351 7.167 140 HA3 GLY 20 HA1 GLY 20 11.484 5.709 7.096 141 H ILE 21 HN ILE 21 9.464 5.006 4.446 142 HA ILE 21 HA ILE 21 11.072 6.554 2.660 143 HB ILE 21 HB ILE 21 8.470 5.038 2.195 144 HG12 ILE 21 HG12 ILE 21 10.249 3.540 2.931 145 HG13 ILE 21 HG11 ILE 21 9.860 3.249 1.242 146 HG21 ILE 21 HG21 ILE 21 8.772 6.679 0.440 147 HG22 ILE 21 HG22 ILE 21 9.017 5.051 -0.195 148 HG23 ILE 21 HG23 ILE 21 10.406 6.086 0.136 149 HD11 ILE 21 HD11 ILE 21 12.258 3.147 1.634 150 HD12 ILE 21 HD12 ILE 21 12.236 4.792 2.272 151 HD13 ILE 21 HD13 ILE 21 11.859 4.501 0.577 152 HA PRO 22 HA PRO 22 9.177 10.564 2.998 153 HB2 PRO 22 HB2 PRO 22 9.160 10.300 0.015 154 HB3 PRO 22 HB1 PRO 22 9.624 11.684 1.015 155 HG2 PRO 22 HG2 PRO 22 11.479 10.100 -0.027 156 HG3 PRO 22 HG1 PRO 22 11.653 10.748 1.614 157 HD2 PRO 22 HD2 PRO 22 11.042 7.989 0.731 158 HD3 PRO 22 HD1 PRO 22 11.811 8.557 2.227 159 H VAL 23 HN VAL 23 7.226 11.200 3.289 160 HA VAL 23 HA VAL 23 4.952 9.540 2.871 161 HB VAL 23 HB VAL 23 3.665 11.368 3.934 162 HG11 VAL 23 HG11 VAL 23 4.832 9.740 5.311 163 HG12 VAL 23 HG12 VAL 23 4.830 11.332 6.067 164 HG13 VAL 23 HG13 VAL 23 6.284 10.738 5.264 165 HG21 VAL 23 HG21 VAL 23 4.886 13.380 4.680 166 HG22 VAL 23 HG22 VAL 23 4.833 13.216 2.910 167 HG23 VAL 23 HG23 VAL 23 6.296 12.790 3.780 168 H GLU 24 HN GLU 24 6.260 11.040 0.520 169 HA GLU 24 HA GLU 24 3.719 11.671 -0.825 170 HB2 GLU 24 HB2 GLU 24 4.771 13.646 -1.832 171 HB3 GLU 24 HB1 GLU 24 4.667 13.779 -0.080 172 HG2 GLU 24 HG2 GLU 24 7.012 13.051 0.089 173 HG3 GLU 24 HG1 GLU 24 7.105 13.037 -1.671 174 H ASP 25 HN ASP 25 6.378 9.785 -0.722 175 HA ASP 25 HA ASP 25 7.011 10.051 -3.556 176 HB2 ASP 25 HB2 ASP 25 8.816 10.394 -1.932 177 HB3 ASP 25 HB1 ASP 25 8.615 8.766 -1.326 178 H VAL 26 HN VAL 26 4.921 8.384 -1.811 179 HA VAL 26 HA VAL 26 5.511 5.846 -3.089 180 HB VAL 26 HB VAL 26 3.505 6.502 -0.869 181 HG11 VAL 26 HG11 VAL 26 3.280 4.078 -0.581 182 HG12 VAL 26 HG12 VAL 26 4.345 3.813 -1.959 183 HG13 VAL 26 HG13 VAL 26 2.774 4.580 -2.192 184 HG21 VAL 26 HG21 VAL 26 5.032 5.290 0.615 185 HG22 VAL 26 HG22 VAL 26 5.800 6.705 -0.101 186 HG23 VAL 26 HG23 VAL 26 6.165 5.094 -0.723 187 H LYS 27 HN LYS 27 5.080 7.170 -4.932 188 HA LYS 27 HA LYS 27 2.376 8.013 -5.506 189 HB2 LYS 27 HB2 LYS 27 4.888 8.078 -7.181 190 HB3 LYS 27 HB1 LYS 27 3.319 8.689 -7.671 191 HG2 LYS 27 HG2 LYS 27 3.369 10.303 -5.835 192 HG3 LYS 27 HG1 LYS 27 4.981 9.724 -5.396 193 HD2 LYS 27 HD2 LYS 27 5.843 10.371 -7.570 194 HD3 LYS 27 HD1 LYS 27 4.232 10.852 -8.091 195 HE2 LYS 27 HE2 LYS 27 5.610 12.783 -7.477 196 HE3 LYS 27 HE1 LYS 27 4.208 12.627 -6.422 197 HZ1 LYS 27 HZ1 LYS 27 6.900 11.609 -5.743 198 HZ2 LYS 27 HZ2 LYS 27 5.579 11.779 -4.685 199 HZ3 LYS 27 HZ3 LYS 27 6.366 13.130 -5.279 200 H LEU 28 HN LEU 28 1.526 7.422 -7.818 201 HA LEU 28 HA LEU 28 0.806 4.838 -7.754 202 HB2 LEU 28 HB2 LEU 28 0.653 6.755 -10.044 203 HB3 LEU 28 HB1 LEU 28 0.139 5.092 -10.254 204 HG LEU 28 HG LEU 28 -1.339 5.477 -8.217 205 HD11 LEU 28 HD11 LEU 28 -0.801 8.333 -8.806 206 HD12 LEU 28 HD12 LEU 28 -0.469 7.410 -7.323 207 HD13 LEU 28 HD13 LEU 28 -2.131 7.701 -7.826 208 HD21 LEU 28 HD21 LEU 28 -2.319 5.242 -10.421 209 HD22 LEU 28 HD22 LEU 28 -2.021 6.951 -10.758 210 HD23 LEU 28 HD23 LEU 28 -3.168 6.486 -9.502 211 H ASP 29 HN ASP 29 3.212 5.801 -10.262 212 HA ASP 29 HA ASP 29 3.814 2.960 -10.263 213 HB2 ASP 29 HB2 ASP 29 3.669 3.924 -12.505 214 HB3 ASP 29 HB1 ASP 29 4.933 5.085 -12.114 215 H LYS 30 HN LYS 30 4.421 3.319 -8.070 216 HA LYS 30 HA LYS 30 7.332 3.328 -7.911 217 HB2 LYS 30 HB2 LYS 30 5.417 4.568 -5.897 218 HB3 LYS 30 HB1 LYS 30 7.147 4.369 -5.651 219 HG2 LYS 30 HG2 LYS 30 6.133 5.928 -7.985 220 HG3 LYS 30 HG1 LYS 30 6.177 6.671 -6.388 221 HD2 LYS 30 HD2 LYS 30 8.579 5.403 -7.727 222 HD3 LYS 30 HD1 LYS 30 8.202 7.131 -7.817 223 HE2 LYS 30 HE2 LYS 30 8.154 7.133 -5.312 224 HE3 LYS 30 HE1 LYS 30 8.775 5.495 -5.367 225 HZ1 LYS 30 HZ1 LYS 30 10.782 6.239 -6.282 226 HZ2 LYS 30 HZ2 LYS 30 10.382 7.265 -4.970 227 HZ3 LYS 30 HZ3 LYS 30 10.170 7.816 -6.559 228 H SER 31 HN SER 31 7.466 1.206 -7.836 229 HA SER 31 HA SER 31 5.548 -0.428 -6.541 230 HB2 SER 31 HB2 SER 31 6.586 -1.198 -8.541 231 HB3 SER 31 HB1 SER 31 8.192 -1.007 -7.857 232 HG SER 31 HG SER 31 6.146 -2.819 -7.099 233 H PHE 32 HN PHE 32 5.643 -1.457 -4.696 234 HA PHE 32 HA PHE 32 6.923 -0.232 -2.544 235 HB2 PHE 32 HB2 PHE 32 5.589 -2.932 -2.638 236 HB3 PHE 32 HB1 PHE 32 5.940 -1.990 -1.195 237 HD1 PHE 32 HD1 PHE 32 4.676 0.068 -0.740 238 HD2 PHE 32 HD2 PHE 32 3.711 -2.479 -4.008 239 HE1 PHE 32 HE1 PHE 32 2.459 1.112 -0.901 240 HE2 PHE 32 HE2 PHE 32 1.495 -1.436 -4.177 241 HZ PHE 32 HZ PHE 32 0.867 0.360 -2.621 242 H THR 33 HN THR 33 7.697 -3.160 -4.357 243 HA THR 33 HA THR 33 10.021 -3.483 -2.607 244 HB THR 33 HB THR 33 10.058 -5.865 -3.548 245 HG1 THR 33 HG1 THR 33 8.623 -5.491 -5.311 246 HG21 THR 33 HG21 THR 33 7.673 -4.984 -1.898 247 HG22 THR 33 HG22 THR 33 9.281 -5.340 -1.273 248 HG23 THR 33 HG23 THR 33 8.307 -6.628 -1.984 249 H ASP 34 HN ASP 34 9.846 -1.690 -4.913 250 HA ASP 34 HA ASP 34 12.172 -2.716 -6.354 251 HB2 ASP 34 HB2 ASP 34 10.644 -3.311 -7.955 252 HB3 ASP 34 HB1 ASP 34 9.574 -1.975 -7.610 253 H ASP 35 HN ASP 35 10.097 0.195 -6.180 254 HA ASP 35 HA ASP 35 12.532 1.747 -6.670 255 HB2 ASP 35 HB2 ASP 35 10.330 2.175 -7.884 256 HB3 ASP 35 HB1 ASP 35 9.727 2.805 -6.356 257 H LEU 36 HN LEU 36 9.989 1.251 -4.369 258 HA LEU 36 HA LEU 36 10.954 3.248 -2.517 259 HB2 LEU 36 HB2 LEU 36 8.811 1.163 -2.185 260 HB3 LEU 36 HB1 LEU 36 9.078 2.536 -1.138 261 HG LEU 36 HG LEU 36 8.175 2.655 -4.011 262 HD11 LEU 36 HD11 LEU 36 6.693 3.162 -1.442 263 HD12 LEU 36 HD12 LEU 36 6.467 1.790 -2.528 264 HD13 LEU 36 HD13 LEU 36 6.058 3.417 -3.067 265 HD21 LEU 36 HD21 LEU 36 7.822 5.050 -3.554 266 HD22 LEU 36 HD22 LEU 36 9.512 4.569 -3.456 267 HD23 LEU 36 HD23 LEU 36 8.590 4.846 -1.975 268 H ASP 37 HN ASP 37 10.246 -0.188 -2.223 269 HA ASP 37 HA ASP 37 10.873 -1.829 -0.955 270 HB2 ASP 37 HB2 ASP 37 13.176 -1.606 -1.818 271 HB3 ASP 37 HB1 ASP 37 13.535 -0.417 -0.565 272 H VAL 38 HN VAL 38 9.360 -1.574 0.434 273 HA VAL 38 HA VAL 38 9.777 0.176 2.728 274 HB VAL 38 HB VAL 38 7.347 -1.541 2.179 275 HG11 VAL 38 HG11 VAL 38 6.170 0.141 3.538 276 HG12 VAL 38 HG12 VAL 38 7.699 0.985 3.796 277 HG13 VAL 38 HG13 VAL 38 7.474 -0.647 4.427 278 HG21 VAL 38 HG21 VAL 38 6.300 0.414 1.106 279 HG22 VAL 38 HG22 VAL 38 7.704 -0.158 0.205 280 HG23 VAL 38 HG23 VAL 38 7.832 1.282 1.215 281 H ASP 39 HN ASP 39 11.604 -1.475 2.985 282 HA ASP 39 HA ASP 39 12.692 -2.961 4.210 283 HB2 ASP 39 HB2 ASP 39 11.469 -1.779 6.067 284 HB3 ASP 39 HB1 ASP 39 10.287 -3.080 6.049 285 H SER 40 HN SER 40 10.169 -3.797 2.528 286 HA SER 40 HA SER 40 9.423 -5.533 1.373 287 HB2 SER 40 HB2 SER 40 11.034 -7.324 0.788 288 HB3 SER 40 HB1 SER 40 11.685 -5.690 0.606 289 H LEU 41 HN LEU 41 10.662 -6.851 4.380 290 HA LEU 41 HA LEU 41 8.615 -8.894 4.182 291 HB2 LEU 41 HB2 LEU 41 9.509 -9.748 6.365 292 HB3 LEU 41 HB1 LEU 41 10.674 -9.710 5.069 293 HG LEU 41 HG LEU 41 11.516 -7.527 6.125 294 HD11 LEU 41 HD11 LEU 41 9.944 -8.592 8.454 295 HD12 LEU 41 HD12 LEU 41 9.636 -7.108 7.560 296 HD13 LEU 41 HD13 LEU 41 11.118 -7.270 8.507 297 HD21 LEU 41 HD21 LEU 41 12.906 -8.745 7.716 298 HD22 LEU 41 HD22 LEU 41 12.747 -9.612 6.187 299 HD23 LEU 41 HD23 LEU 41 11.825 -10.130 7.599 300 H SER 42 HN SER 42 9.198 -5.947 5.809 301 HA SER 42 HA SER 42 7.067 -6.116 7.659 302 HB2 SER 42 HB2 SER 42 8.692 -3.743 6.750 303 HB3 SER 42 HB1 SER 42 7.582 -3.749 8.119 304 HG SER 42 HG SER 42 10.134 -4.612 7.990 305 H MET 43 HN MET 43 7.072 -5.596 4.397 306 HA MET 43 HA MET 43 5.285 -3.538 4.180 307 HB2 MET 43 HB2 MET 43 4.671 -4.487 1.814 308 HB3 MET 43 HB1 MET 43 6.299 -3.984 2.154 309 HG2 MET 43 HG2 MET 43 6.050 -6.062 0.833 310 HG3 MET 43 HG1 MET 43 7.080 -6.170 2.247 311 HE1 MET 43 HE1 MET 43 3.154 -6.405 1.683 312 HE2 MET 43 HE2 MET 43 2.941 -8.153 1.897 313 HE3 MET 43 HE3 MET 43 3.834 -7.560 0.507 314 H VAL 44 HN VAL 44 4.589 -6.771 5.084 315 HA VAL 44 HA VAL 44 1.823 -6.797 4.548 316 HB VAL 44 HB VAL 44 3.308 -8.255 6.769 317 HG11 VAL 44 HG11 VAL 44 1.439 -9.843 6.740 318 HG12 VAL 44 HG12 VAL 44 0.607 -8.837 5.555 319 HG13 VAL 44 HG13 VAL 44 0.905 -8.219 7.182 320 HG21 VAL 44 HG21 VAL 44 4.209 -8.769 4.577 321 HG22 VAL 44 HG22 VAL 44 2.593 -9.162 3.981 322 HG23 VAL 44 HG23 VAL 44 3.343 -10.163 5.227 323 H GLU 45 HN GLU 45 3.747 -5.543 7.175 324 HA GLU 45 HA GLU 45 1.600 -5.022 8.956 325 HB2 GLU 45 HB2 GLU 45 4.378 -3.832 8.863 326 HB3 GLU 45 HB1 GLU 45 3.285 -3.800 10.244 327 HG2 GLU 45 HG2 GLU 45 3.348 -6.243 10.351 328 HG3 GLU 45 HG1 GLU 45 4.423 -6.271 8.968 329 H VAL 46 HN VAL 46 3.310 -3.209 6.482 330 HA VAL 46 HA VAL 46 2.071 -0.707 6.654 331 HB VAL 46 HB VAL 46 2.621 -2.221 4.072 332 HG11 VAL 46 HG11 VAL 46 1.239 -0.235 3.704 333 HG12 VAL 46 HG12 VAL 46 2.840 0.010 3.028 334 HG13 VAL 46 HG13 VAL 46 2.407 0.762 4.555 335 HG21 VAL 46 HG21 VAL 46 4.795 -1.096 4.042 336 HG22 VAL 46 HG22 VAL 46 4.620 -2.156 5.442 337 HG23 VAL 46 HG23 VAL 46 4.452 -0.409 5.628 338 H VAL 47 HN VAL 47 1.077 -3.582 4.844 339 HA VAL 47 HA VAL 47 -1.356 -2.797 3.818 340 HB VAL 47 HB VAL 47 -0.733 -5.537 4.956 341 HG11 VAL 47 HG11 VAL 47 -2.333 -6.350 3.290 342 HG12 VAL 47 HG12 VAL 47 -2.669 -4.687 2.811 343 HG13 VAL 47 HG13 VAL 47 -3.086 -5.239 4.434 344 HG21 VAL 47 HG21 VAL 47 0.998 -4.830 3.413 345 HG22 VAL 47 HG22 VAL 47 -0.224 -4.436 2.205 346 HG23 VAL 47 HG23 VAL 47 0.018 -6.110 2.699 347 H VAL 48 HN VAL 48 -0.879 -4.517 6.907 348 HA VAL 48 HA VAL 48 -3.450 -4.543 7.905 349 HB VAL 48 HB VAL 48 -0.937 -4.067 9.541 350 HG11 VAL 48 HG11 VAL 48 -3.597 -5.241 10.360 351 HG12 VAL 48 HG12 VAL 48 -2.961 -3.669 10.840 352 HG13 VAL 48 HG13 VAL 48 -2.160 -5.147 11.381 353 HG21 VAL 48 HG21 VAL 48 -2.253 -6.648 8.714 354 HG22 VAL 48 HG22 VAL 48 -0.877 -6.503 9.809 355 HG23 VAL 48 HG23 VAL 48 -0.714 -6.024 8.118 356 H ALA 49 HN ALA 49 -1.103 -1.938 8.286 357 HA ALA 49 HA ALA 49 -2.894 -0.318 9.841 358 HB1 ALA 49 HB1 ALA 49 -0.293 0.480 8.543 359 HB2 ALA 49 HB2 ALA 49 -0.483 -0.167 10.179 360 HB3 ALA 49 HB3 ALA 49 -1.195 1.393 9.757 361 H ALA 50 HN ALA 50 -2.036 -0.575 6.479 362 HA ALA 50 HA ALA 50 -3.354 1.782 5.635 363 HB1 ALA 50 HB1 ALA 50 -1.734 0.614 4.191 364 HB2 ALA 50 HB2 ALA 50 -3.297 0.777 3.389 365 HB3 ALA 50 HB3 ALA 50 -2.824 -0.769 4.092 366 H GLU 51 HN GLU 51 -4.332 -1.525 6.261 367 HA GLU 51 HA GLU 51 -6.912 -1.395 5.296 368 HB2 GLU 51 HB2 GLU 51 -5.893 -2.923 7.699 369 HB3 GLU 51 HB1 GLU 51 -7.473 -3.169 6.969 370 HG2 GLU 51 HG2 GLU 51 -6.373 -3.855 4.876 371 HG3 GLU 51 HG1 GLU 51 -4.808 -3.642 5.654 372 H GLU 52 HN GLU 52 -5.640 -0.672 8.513 373 HA GLU 52 HA GLU 52 -7.923 0.246 9.715 374 HB2 GLU 52 HB2 GLU 52 -5.057 1.069 10.077 375 HB3 GLU 52 HB1 GLU 52 -6.363 1.457 11.184 376 HG2 GLU 52 HG2 GLU 52 -6.709 -0.898 11.639 377 HG3 GLU 52 HG1 GLU 52 -5.456 -1.316 10.472 378 H ARG 53 HN ARG 53 -5.512 1.928 7.785 379 HA ARG 53 HA ARG 53 -6.423 4.547 8.160 380 HB2 ARG 53 HB2 ARG 53 -4.167 4.078 7.380 381 HB3 ARG 53 HB1 ARG 53 -4.796 3.409 5.884 382 HG2 ARG 53 HG2 ARG 53 -3.960 5.650 5.509 383 HG3 ARG 53 HG1 ARG 53 -5.713 5.622 5.300 384 HD2 ARG 53 HD2 ARG 53 -5.899 6.385 7.687 385 HD3 ARG 53 HD1 ARG 53 -4.155 6.634 7.663 386 HE ARG 53 HE ARG 53 -5.393 7.958 5.499 387 HH11 ARG 53 HH11 ARG 53 -4.771 8.213 8.980 388 HH12 ARG 53 HH12 ARG 53 -5.021 9.895 9.070 389 HH21 ARG 53 HH21 ARG 53 -5.885 10.287 5.633 390 HH22 ARG 53 HH22 ARG 53 -5.727 11.084 7.142 391 H PHE 54 HN PHE 54 -7.198 2.250 5.534 392 HA PHE 54 HA PHE 54 -8.881 4.368 4.355 393 HB2 PHE 54 HB2 PHE 54 -8.155 1.730 3.105 394 HB3 PHE 54 HB1 PHE 54 -8.913 3.108 2.322 395 HD1 PHE 54 HD1 PHE 54 -7.500 5.330 2.686 396 HD2 PHE 54 HD2 PHE 54 -5.972 1.379 2.629 397 HE1 PHE 54 HE1 PHE 54 -5.279 6.200 1.986 398 HE2 PHE 54 HE2 PHE 54 -3.763 2.211 1.958 399 HZ PHE 54 HZ PHE 54 -3.361 4.580 1.739 400 H ASP 55 HN ASP 55 -9.285 1.783 6.405 401 HA ASP 55 HA ASP 55 -10.987 0.447 7.046 402 HB2 ASP 55 HB2 ASP 55 -12.414 2.524 6.955 403 HB3 ASP 55 HB1 ASP 55 -12.719 2.223 5.254 404 H VAL 56 HN VAL 56 -9.297 -0.091 5.023 405 HA VAL 56 HA VAL 56 -10.826 -1.578 3.033 406 HB VAL 56 HB VAL 56 -9.030 -0.018 2.201 407 HG11 VAL 56 HG11 VAL 56 -7.399 -0.228 3.911 408 HG12 VAL 56 HG12 VAL 56 -6.688 -0.646 2.350 409 HG13 VAL 56 HG13 VAL 56 -7.122 -1.917 3.492 410 HG21 VAL 56 HG21 VAL 56 -9.713 -1.830 0.752 411 HG22 VAL 56 HG22 VAL 56 -8.548 -2.910 1.519 412 HG23 VAL 56 HG23 VAL 56 -7.983 -1.529 0.579 413 H LYS 57 HN LYS 57 -9.633 -3.712 2.473 414 HA LYS 57 HA LYS 57 -8.758 -5.153 4.877 415 HB2 LYS 57 HB2 LYS 57 -11.095 -6.055 3.135 416 HB3 LYS 57 HB1 LYS 57 -10.311 -7.057 4.333 417 HG2 LYS 57 HG2 LYS 57 -12.329 -6.346 5.306 418 HG3 LYS 57 HG1 LYS 57 -11.083 -5.354 6.055 419 HD2 LYS 57 HD2 LYS 57 -11.648 -3.529 4.472 420 HD3 LYS 57 HD1 LYS 57 -12.953 -4.527 3.829 421 HE2 LYS 57 HE2 LYS 57 -12.710 -3.695 6.715 422 HE3 LYS 57 HE1 LYS 57 -13.669 -2.835 5.512 423 HZ1 LYS 57 HZ1 LYS 57 -14.905 -4.404 6.921 424 HZ2 LYS 57 HZ2 LYS 57 -14.127 -5.711 6.178 425 HZ3 LYS 57 HZ3 LYS 57 -15.096 -4.613 5.280 426 H ILE 58 HN ILE 58 -6.910 -6.098 4.225 427 HA ILE 58 HA ILE 58 -6.878 -7.384 1.601 428 HB ILE 58 HB ILE 58 -4.504 -5.655 2.350 429 HG12 ILE 58 HG12 ILE 58 -6.731 -4.807 0.462 430 HG13 ILE 58 HG11 ILE 58 -6.525 -4.151 2.080 431 HG21 ILE 58 HG21 ILE 58 -4.239 -7.469 0.714 432 HG22 ILE 58 HG22 ILE 58 -4.061 -5.880 -0.052 433 HG23 ILE 58 HG23 ILE 58 -5.574 -6.774 -0.214 434 HD11 ILE 58 HD11 ILE 58 -5.632 -2.648 0.395 435 HD12 ILE 58 HD12 ILE 58 -4.552 -3.917 -0.188 436 HD13 ILE 58 HD13 ILE 58 -4.344 -3.257 1.434 437 HA PRO 59 HA PRO 59 -4.647 -10.056 4.515 438 HB2 PRO 59 HB2 PRO 59 -4.888 -12.335 3.023 439 HB3 PRO 59 HB1 PRO 59 -6.155 -11.762 4.108 440 HG2 PRO 59 HG2 PRO 59 -5.973 -11.592 1.151 441 HG3 PRO 59 HG1 PRO 59 -7.399 -11.773 2.183 442 HD2 PRO 59 HD2 PRO 59 -6.578 -9.410 0.982 443 HD3 PRO 59 HD1 PRO 59 -7.663 -9.520 2.382 444 H ASP 60 HN ASP 60 -2.570 -11.207 4.332 445 HA ASP 60 HA ASP 60 -0.776 -9.820 2.658 446 HB2 ASP 60 HB2 ASP 60 1.000 -11.165 3.461 447 HB3 ASP 60 HB1 ASP 60 -0.058 -10.825 4.836 448 H ASP 61 HN ASP 61 -2.457 -12.797 2.148 449 HA ASP 61 HA ASP 61 -0.730 -13.555 -0.013 450 HB2 ASP 61 HB2 ASP 61 -3.409 -14.627 0.840 451 HB3 ASP 61 HB1 ASP 61 -2.593 -15.186 -0.619 452 H ASP 62 HN ASP 62 -3.475 -11.575 0.296 453 HA ASP 62 HA ASP 62 -4.015 -11.654 -2.547 454 HB2 ASP 62 HB2 ASP 62 -5.732 -11.352 -0.536 455 HB3 ASP 62 HB1 ASP 62 -5.271 -9.660 -0.735 456 H VAL 63 HN VAL 63 -2.411 -9.640 -0.175 457 HA VAL 63 HA VAL 63 -2.075 -7.416 -1.906 458 HB VAL 63 HB VAL 63 -1.871 -7.147 0.567 459 HG11 VAL 63 HG11 VAL 63 0.784 -8.515 0.270 460 HG12 VAL 63 HG12 VAL 63 -0.638 -9.172 1.070 461 HG13 VAL 63 HG13 VAL 63 0.162 -7.744 1.732 462 HG21 VAL 63 HG21 VAL 63 0.539 -6.289 -0.993 463 HG22 VAL 63 HG22 VAL 63 0.050 -5.638 0.571 464 HG23 VAL 63 HG23 VAL 63 -0.993 -5.431 -0.839 465 H LYS 64 HN LYS 64 -0.525 -10.409 -1.657 466 HA LYS 64 HA LYS 64 2.020 -9.943 -2.654 467 HB2 LYS 64 HB2 LYS 64 0.188 -12.309 -3.023 468 HB3 LYS 64 HB1 LYS 64 1.840 -12.291 -3.614 469 HG2 LYS 64 HG2 LYS 64 2.651 -12.018 -1.327 470 HG3 LYS 64 HG1 LYS 64 0.982 -12.022 -0.742 471 HD2 LYS 64 HD2 LYS 64 0.651 -14.269 -1.470 472 HD3 LYS 64 HD1 LYS 64 2.178 -14.270 -2.346 473 HE2 LYS 64 HE2 LYS 64 2.495 -15.519 -0.338 474 HE3 LYS 64 HE1 LYS 64 3.348 -13.993 -0.161 475 HZ1 LYS 64 HZ1 LYS 64 2.233 -14.494 1.842 476 HZ2 LYS 64 HZ2 LYS 64 0.792 -14.817 1.085 477 HZ3 LYS 64 HZ3 LYS 64 1.343 -13.222 1.184 478 H ASN 65 HN ASN 65 -0.924 -9.439 -4.180 479 HA ASN 65 HA ASN 65 -0.106 -10.079 -6.910 480 HB2 ASN 65 HB2 ASN 65 -2.739 -9.151 -5.761 481 HB3 ASN 65 HB1 ASN 65 -2.461 -9.585 -7.444 482 HD21 ASN 65 HD21 ASN 65 -4.216 -10.723 -5.314 483 HD22 ASN 65 HD22 ASN 65 -3.797 -12.402 -5.303 484 H LEU 66 HN LEU 66 0.386 -7.522 -4.936 485 HA LEU 66 HA LEU 66 -0.532 -5.486 -6.764 486 HB2 LEU 66 HB2 LEU 66 0.867 -5.301 -4.122 487 HB3 LEU 66 HB1 LEU 66 0.363 -3.898 -5.026 488 HG LEU 66 HG LEU 66 -1.368 -5.991 -3.728 489 HD11 LEU 66 HD11 LEU 66 -0.512 -4.277 -2.283 490 HD12 LEU 66 HD12 LEU 66 -2.258 -4.131 -2.492 491 HD13 LEU 66 HD13 LEU 66 -1.169 -3.020 -3.338 492 HD21 LEU 66 HD21 LEU 66 -2.305 -5.451 -5.919 493 HD22 LEU 66 HD22 LEU 66 -2.280 -3.729 -5.509 494 HD23 LEU 66 HD23 LEU 66 -3.302 -4.850 -4.601 495 H LYS 67 HN LYS 67 0.790 -3.933 -7.743 496 HA LYS 67 HA LYS 67 3.523 -4.832 -8.210 497 HB2 LYS 67 HB2 LYS 67 2.067 -4.951 -10.139 498 HB3 LYS 67 HB1 LYS 67 1.541 -3.298 -9.885 499 HG2 LYS 67 HG2 LYS 67 3.911 -2.609 -10.276 500 HG3 LYS 67 HG1 LYS 67 4.218 -4.276 -10.790 501 HD2 LYS 67 HD2 LYS 67 2.399 -4.049 -12.447 502 HD3 LYS 67 HD1 LYS 67 2.228 -2.358 -11.933 503 HE2 LYS 67 HE2 LYS 67 3.566 -2.538 -13.957 504 HE3 LYS 67 HE1 LYS 67 4.462 -1.900 -12.566 505 HZ1 LYS 67 HZ1 LYS 67 5.586 -3.946 -12.279 506 HZ2 LYS 67 HZ2 LYS 67 5.711 -3.622 -13.921 507 HZ3 LYS 67 HZ3 LYS 67 4.584 -4.758 -13.352 508 H THR 68 HN THR 68 1.544 -1.894 -8.471 509 HA THR 68 HA THR 68 3.557 -0.388 -6.985 510 HB THR 68 HB THR 68 3.048 1.530 -8.535 511 HG1 THR 68 HG1 THR 68 1.423 -0.429 -9.762 512 HG21 THR 68 HG21 THR 68 4.442 0.751 -10.402 513 HG22 THR 68 HG22 THR 68 4.236 -0.916 -9.855 514 HG23 THR 68 HG23 THR 68 5.097 0.246 -8.845 515 H VAL 69 HN VAL 69 2.153 2.095 -6.838 516 HA VAL 69 HA VAL 69 -0.080 1.116 -5.313 517 HB VAL 69 HB VAL 69 -0.262 3.013 -4.086 518 HG11 VAL 69 HG11 VAL 69 1.899 3.788 -3.363 519 HG12 VAL 69 HG12 VAL 69 2.623 2.920 -4.730 520 HG13 VAL 69 HG13 VAL 69 1.722 2.040 -3.485 521 HG21 VAL 69 HG21 VAL 69 0.568 5.251 -4.622 522 HG22 VAL 69 HG22 VAL 69 -0.603 4.651 -5.799 523 HG23 VAL 69 HG23 VAL 69 1.118 4.651 -6.185 524 H GLY 70 HN GLY 70 0.442 2.214 -8.365 525 HA2 GLY 70 HA2 GLY 70 -1.950 3.616 -8.860 526 HA3 GLY 70 HA1 GLY 70 -1.039 2.689 -10.058 527 H ASP 71 HN ASP 71 -1.008 0.259 -8.953 528 HA ASP 71 HA ASP 71 -3.497 -0.930 -9.584 529 HB2 ASP 71 HB2 ASP 71 -1.363 -2.156 -7.825 530 HB3 ASP 71 HB1 ASP 71 -2.508 -2.982 -8.862 531 H ALA 72 HN ALA 72 -1.670 -0.516 -6.601 532 HA ALA 72 HA ALA 72 -3.388 -1.624 -4.782 533 HB1 ALA 72 HB1 ALA 72 -2.180 -0.476 -3.058 534 HB2 ALA 72 HB2 ALA 72 -1.575 0.704 -4.210 535 HB3 ALA 72 HB3 ALA 72 -1.053 -0.982 -4.317 536 H THR 73 HN THR 73 -3.384 1.752 -5.852 537 HA THR 73 HA THR 73 -5.199 2.781 -4.054 538 HB THR 73 HB THR 73 -4.827 3.482 -6.981 539 HG1 THR 73 HG1 THR 73 -2.949 3.776 -5.736 540 HG21 THR 73 HG21 THR 73 -5.782 5.666 -6.382 541 HG22 THR 73 HG22 THR 73 -6.138 5.061 -4.764 542 HG23 THR 73 HG23 THR 73 -6.950 4.362 -6.167 543 H LYS 74 HN LYS 74 -5.908 1.600 -7.350 544 HA LYS 74 HA LYS 74 -8.721 1.753 -7.229 545 HB2 LYS 74 HB2 LYS 74 -6.839 0.156 -8.972 546 HB3 LYS 74 HB1 LYS 74 -8.575 0.088 -9.165 547 HG2 LYS 74 HG2 LYS 74 -7.502 1.533 -10.791 548 HG3 LYS 74 HG1 LYS 74 -8.648 2.407 -9.770 549 HD2 LYS 74 HD2 LYS 74 -6.815 3.364 -8.488 550 HD3 LYS 74 HD1 LYS 74 -5.644 2.390 -9.369 551 HE2 LYS 74 HE2 LYS 74 -7.407 4.453 -10.679 552 HE3 LYS 74 HE1 LYS 74 -5.808 4.817 -10.042 553 HZ1 LYS 74 HZ1 LYS 74 -6.357 2.804 -12.186 554 HZ2 LYS 74 HZ2 LYS 74 -4.841 3.263 -11.615 555 HZ3 LYS 74 HZ3 LYS 74 -5.785 4.368 -12.431 556 H TYR 75 HN TYR 75 -6.420 -0.711 -6.547 557 HA TYR 75 HA TYR 75 -8.037 -2.897 -6.212 558 HB2 TYR 75 HB2 TYR 75 -5.637 -3.029 -6.456 559 HB3 TYR 75 HB1 TYR 75 -5.404 -2.112 -4.983 560 HD1 TYR 75 HD1 TYR 75 -6.296 -5.389 -6.377 561 HD2 TYR 75 HD2 TYR 75 -5.456 -3.157 -2.866 562 HE1 TYR 75 HE1 TYR 75 -5.995 -7.482 -5.121 563 HE2 TYR 75 HE2 TYR 75 -5.164 -5.223 -1.609 564 HH TYR 75 HH TYR 75 -4.833 -8.215 -3.077 565 H ILE 76 HN ILE 76 -6.753 -0.564 -3.863 566 HA ILE 76 HA ILE 76 -8.065 -1.508 -1.563 567 HB ILE 76 HB ILE 76 -6.827 1.152 -2.286 568 HG12 ILE 76 HG12 ILE 76 -5.975 -0.971 -0.313 569 HG13 ILE 76 HG11 ILE 76 -5.387 -0.848 -1.965 570 HG21 ILE 76 HG21 ILE 76 -7.009 1.845 0.057 571 HG22 ILE 76 HG22 ILE 76 -7.974 0.410 0.406 572 HG23 ILE 76 HG23 ILE 76 -8.598 1.644 -0.687 573 HD11 ILE 76 HD11 ILE 76 -4.437 1.322 -1.467 574 HD12 ILE 76 HD12 ILE 76 -3.802 0.069 -0.397 575 HD13 ILE 76 HD13 ILE 76 -5.024 1.209 0.196 576 H LEU 77 HN LEU 77 -8.985 0.785 -4.048 577 HA LEU 77 HA LEU 77 -11.285 1.726 -2.798 578 HB2 LEU 77 HB2 LEU 77 -10.571 1.546 -5.715 579 HB3 LEU 77 HB1 LEU 77 -12.045 2.308 -5.152 580 HG LEU 77 HG LEU 77 -9.248 3.191 -4.422 581 HD11 LEU 77 HD11 LEU 77 -11.248 4.410 -6.327 582 HD12 LEU 77 HD12 LEU 77 -9.749 3.596 -6.778 583 HD13 LEU 77 HD13 LEU 77 -9.690 5.105 -5.877 584 HD21 LEU 77 HD21 LEU 77 -10.891 3.664 -2.690 585 HD22 LEU 77 HD22 LEU 77 -11.943 4.429 -3.880 586 HD23 LEU 77 HD23 LEU 77 -10.379 5.148 -3.493 587 H ASP 78 HN ASP 78 -10.641 -1.179 -4.516 588 HA ASP 78 HA ASP 78 -13.426 -1.957 -4.792 589 HB2 ASP 78 HB2 ASP 78 -11.708 -2.554 -6.499 590 HB3 ASP 78 HB1 ASP 78 -10.881 -3.530 -5.294 591 H HIS 79 HN HIS 79 -10.616 -2.735 -2.866 592 HA HIS 79 HA HIS 79 -11.830 -4.921 -1.401 593 HB2 HIS 79 HB2 HIS 79 -9.219 -4.060 -1.987 594 HB3 HIS 79 HB1 HIS 79 -9.388 -4.061 -0.240 595 HD1 HIS 79 HD1 HIS 79 -11.230 -6.600 0.050 596 HD2 HIS 79 HD2 HIS 79 -7.830 -6.357 -2.338 597 HE1 HIS 79 HE1 HIS 79 -10.405 -8.935 -0.207 598 HE2 HIS 79 HE2 HIS 79 -8.348 -8.772 -1.662 599 H GLN 80 HN GLN 80 -12.286 -1.690 -0.992 600 HA GLN 80 HA GLN 80 -12.055 -1.815 1.917 601 HB2 GLN 80 HB2 GLN 80 -12.461 0.602 1.953 602 HB3 GLN 80 HB1 GLN 80 -11.117 0.163 0.905 603 HG2 GLN 80 HG2 GLN 80 -12.591 0.435 -1.055 604 HG3 GLN 80 HG1 GLN 80 -13.904 0.919 0.012 605 HE21 GLN 80 HE21 GLN 80 -10.554 1.875 0.465 606 HE22 GLN 80 HE22 GLN 80 -10.797 3.544 0.125 607 H ALA 81 HN ALA 81 -13.791 -0.880 3.220 608 HA ALA 81 HA ALA 81 -15.840 -0.837 4.033 609 HB1 ALA 81 HB1 ALA 81 -16.548 0.402 2.011 610 HB2 ALA 81 HB2 ALA 81 -17.829 -0.636 2.639 611 HB3 ALA 81 HB3 ALA 81 -16.910 -1.131 1.217 612 H2 SOO 101 H2A SOO 101 3.968 -6.050 -0.679 613 H3 SOO 101 H3A SOO 101 2.434 -3.642 -1.880 614 H4 SOO 101 H4A SOO 101 2.272 -4.746 0.853 615 H4A SOO 101 H4B SOO 101 3.783 -3.851 0.713 616 H5 SOO 101 H5A SOO 101 2.518 -1.854 0.026 617 H5A SOO 101 H5B SOO 101 2.071 -2.421 1.633 618 H6 SOO 101 H6A SOO 101 0.102 -3.538 0.677 619 H6A SOO 101 H6B SOO 101 0.534 -2.900 -0.912 620 H7 SOO 101 H7A SOO 101 0.291 -0.616 -0.078 621 H7A SOO 101 H7B SOO 101 -0.111 -1.247 1.531 622 H8 SOO 101 H8C SOO 101 -1.652 -1.737 -1.014 623 H8A SOO 101 H8A SOO 101 -2.119 -0.630 0.276 624 H8B SOO 101 H8B SOO 101 -2.067 -2.366 0.581 625 H28 SOO 101 H28A SOO 101 11.987 -10.300 2.793 626 H28A SOO 101 H28B SOO 101 10.733 -9.119 2.390 627 H30 SOO 101 H30A SOO 101 10.511 -9.428 -0.512 628 H30A SOO 101 H30B SOO 101 9.147 -9.494 0.600 629 H30B SOO 101 H30C SOO 101 9.393 -10.784 -0.566 630 H31 SOO 101 H31A SOO 101 12.403 -10.981 -0.286 631 H31A SOO 101 H31B SOO 101 11.319 -12.370 -0.308 632 H31B SOO 101 H31C SOO 101 12.454 -12.160 1.025 633 H32 SOO 101 H32A SOO 101 9.634 -12.729 1.339 634 HO33 SOO 101 H33A SOO 101 10.121 -12.146 3.771 635 HN36 SOO 101 H36A SOO 101 7.685 -11.123 0.890 636 H37 SOO 101 H37A SOO 101 6.300 -10.730 3.420 637 H37A SOO 101 H37B SOO 101 6.285 -9.472 2.196 638 H38 SOO 101 H38A SOO 101 5.226 -12.315 1.856 639 H38A SOO 101 H38B SOO 101 4.282 -10.845 2.132 640 HN41 SOO 101 H41A SOO 101 5.566 -9.148 0.501 641 H42 SOO 101 H42A SOO 101 6.239 -9.456 -2.057 642 H42A SOO 101 H42B SOO 101 4.532 -9.871 -2.113 643 H43 SOO 101 H43A SOO 101 5.702 -7.278 -1.199 644 H43A SOO 101 H43B SOO 101 4.007 -7.722 -1.006 Start of MODEL 14 1 H1 ALA 1 HT1 ALA 1 -14.611 2.245 3.054 2 H2 ALA 1 HT2 ALA 1 -14.227 3.668 3.894 3 H3 ALA 1 HT3 ALA 1 -12.985 2.719 3.284 4 HA ALA 1 HA ALA 1 -13.787 3.172 1.029 5 HB1 ALA 1 HB1 ALA 1 -15.459 4.920 0.718 6 HB2 ALA 1 HB2 ALA 1 -15.658 5.053 2.464 7 HB3 ALA 1 HB3 ALA 1 -16.129 3.570 1.633 8 H ALA 2 HN ALA 2 -12.433 4.557 0.004 9 HA ALA 2 HA ALA 2 -11.591 7.069 1.043 10 HB1 ALA 2 HB1 ALA 2 -10.274 5.605 2.516 11 HB2 ALA 2 HB2 ALA 2 -9.231 6.466 1.387 12 HB3 ALA 2 HB3 ALA 2 -9.623 4.770 1.107 13 H THR 3 HN THR 3 -10.457 8.212 -0.602 14 HA THR 3 HA THR 3 -10.784 7.011 -3.239 15 HB THR 3 HB THR 3 -10.555 9.291 -4.088 16 HG1 THR 3 HG1 THR 3 -10.164 10.109 -1.377 17 HG21 THR 3 HG21 THR 3 -12.404 10.375 -2.936 18 HG22 THR 3 HG22 THR 3 -12.175 9.288 -1.567 19 HG23 THR 3 HG23 THR 3 -12.741 8.642 -3.117 20 H GLN 4 HN GLN 4 -8.948 8.119 -4.867 21 HA GLN 4 HA GLN 4 -6.532 6.874 -4.377 22 HB2 GLN 4 HB2 GLN 4 -7.139 7.433 -6.621 23 HB3 GLN 4 HB1 GLN 4 -7.313 9.128 -6.237 24 HG2 GLN 4 HG2 GLN 4 -4.605 7.870 -5.958 25 HG3 GLN 4 HG1 GLN 4 -5.221 8.186 -7.573 26 HE21 GLN 4 HE21 GLN 4 -4.034 9.625 -4.632 27 HE22 GLN 4 HE22 GLN 4 -3.887 11.244 -5.194 28 H GLU 5 HN GLU 5 -7.673 10.063 -3.640 29 HA GLU 5 HA GLU 5 -5.228 11.237 -2.948 30 HB2 GLU 5 HB2 GLU 5 -7.435 12.419 -3.210 31 HB3 GLU 5 HB1 GLU 5 -7.874 11.793 -1.624 32 HG2 GLU 5 HG2 GLU 5 -5.746 12.895 -0.785 33 HG3 GLU 5 HG1 GLU 5 -5.723 13.745 -2.330 34 H GLU 6 HN GLU 6 -7.699 9.721 -0.858 35 HA GLU 6 HA GLU 6 -6.213 9.849 1.480 36 HB2 GLU 6 HB2 GLU 6 -8.400 7.935 0.735 37 HB3 GLU 6 HB1 GLU 6 -7.625 7.885 2.308 38 HG2 GLU 6 HG2 GLU 6 -9.659 9.055 2.551 39 HG3 GLU 6 HG1 GLU 6 -8.377 10.258 2.621 40 H ILE 7 HN ILE 7 -6.424 7.354 -0.966 41 HA ILE 7 HA ILE 7 -4.909 5.411 0.357 42 HB ILE 7 HB ILE 7 -5.409 5.809 -2.611 43 HG12 ILE 7 HG12 ILE 7 -6.602 3.873 -0.607 44 HG13 ILE 7 HG11 ILE 7 -7.362 5.368 -1.125 45 HG21 ILE 7 HG21 ILE 7 -3.353 4.490 -2.284 46 HG22 ILE 7 HG22 ILE 7 -4.660 3.478 -2.901 47 HG23 ILE 7 HG23 ILE 7 -4.220 3.406 -1.195 48 HD11 ILE 7 HD11 ILE 7 -8.313 3.442 -2.246 49 HD12 ILE 7 HD12 ILE 7 -6.727 3.010 -2.881 50 HD13 ILE 7 HD13 ILE 7 -7.509 4.505 -3.400 51 H VAL 8 HN VAL 8 -3.805 7.507 -2.298 52 HA VAL 8 HA VAL 8 -1.099 6.784 -2.138 53 HB VAL 8 HB VAL 8 -2.375 9.341 -3.160 54 HG11 VAL 8 HG11 VAL 8 0.009 9.706 -2.724 55 HG12 VAL 8 HG12 VAL 8 -0.330 9.673 -4.456 56 HG13 VAL 8 HG13 VAL 8 0.403 8.270 -3.675 57 HG21 VAL 8 HG21 VAL 8 -1.482 6.831 -4.563 58 HG22 VAL 8 HG22 VAL 8 -2.133 8.272 -5.347 59 HG23 VAL 8 HG23 VAL 8 -3.145 7.323 -4.258 60 H ALA 9 HN ALA 9 -2.702 9.678 -0.784 61 HA ALA 9 HA ALA 9 -0.354 10.661 0.479 62 HB1 ALA 9 HB1 ALA 9 -3.234 11.317 1.094 63 HB2 ALA 9 HB2 ALA 9 -2.244 12.109 -0.131 64 HB3 ALA 9 HB3 ALA 9 -1.820 12.256 1.576 65 H GLY 10 HN GLY 10 -2.725 8.323 1.438 66 HA2 GLY 10 HA2 GLY 10 -2.062 8.519 4.238 67 HA3 GLY 10 HA1 GLY 10 -3.118 7.324 3.482 68 H LEU 11 HN LEU 11 -1.495 6.382 1.527 69 HA LEU 11 HA LEU 11 -0.147 4.280 2.570 70 HB2 LEU 11 HB2 LEU 11 -0.496 5.513 0.055 71 HB3 LEU 11 HB1 LEU 11 1.203 5.147 0.200 72 HG LEU 11 HG LEU 11 -0.029 3.445 -0.959 73 HD11 LEU 11 HD11 LEU 11 1.941 2.753 0.311 74 HD12 LEU 11 HD12 LEU 11 0.725 1.476 0.342 75 HD13 LEU 11 HD13 LEU 11 0.949 2.516 1.749 76 HD21 LEU 11 HD21 LEU 11 -1.528 3.091 1.603 77 HD22 LEU 11 HD22 LEU 11 -1.638 2.016 0.199 78 HD23 LEU 11 HD23 LEU 11 -2.163 3.704 0.078 79 H ALA 12 HN ALA 12 1.278 7.290 1.405 80 HA ALA 12 HA ALA 12 3.928 6.688 1.971 81 HB1 ALA 12 HB1 ALA 12 4.367 9.012 1.770 82 HB2 ALA 12 HB2 ALA 12 2.629 9.383 1.886 83 HB3 ALA 12 HB3 ALA 12 3.264 8.456 0.511 84 H GLU 13 HN GLU 13 1.506 8.151 4.054 85 HA GLU 13 HA GLU 13 3.245 8.913 6.137 86 HB2 GLU 13 HB2 GLU 13 0.311 8.224 6.126 87 HB3 GLU 13 HB1 GLU 13 1.153 8.770 7.567 88 HG2 GLU 13 HG2 GLU 13 0.917 10.325 4.996 89 HG3 GLU 13 HG1 GLU 13 -0.069 10.574 6.438 90 H ILE 14 HN ILE 14 1.298 5.997 5.673 91 HA ILE 14 HA ILE 14 2.278 4.676 7.991 92 HB ILE 14 HB ILE 14 0.876 3.597 5.513 93 HG12 ILE 14 HG12 ILE 14 -0.944 3.027 7.197 94 HG13 ILE 14 HG11 ILE 14 -0.046 3.972 8.369 95 HG21 ILE 14 HG21 ILE 14 1.685 2.016 7.928 96 HG22 ILE 14 HG22 ILE 14 2.320 1.847 6.292 97 HG23 ILE 14 HG23 ILE 14 0.636 1.446 6.630 98 HD11 ILE 14 HD11 ILE 14 -1.918 5.195 7.406 99 HD12 ILE 14 HD12 ILE 14 -1.197 5.001 5.798 100 HD13 ILE 14 HD13 ILE 14 -0.372 5.957 7.025 101 H VAL 15 HN VAL 15 3.197 4.611 4.595 102 HA VAL 15 HA VAL 15 5.145 2.647 4.744 103 HB VAL 15 HB VAL 15 4.834 4.941 2.786 104 HG11 VAL 15 HG11 VAL 15 6.476 3.818 1.362 105 HG12 VAL 15 HG12 VAL 15 6.792 2.643 2.645 106 HG13 VAL 15 HG13 VAL 15 7.204 4.342 2.879 107 HG21 VAL 15 HG21 VAL 15 4.395 1.968 2.555 108 HG22 VAL 15 HG22 VAL 15 4.156 3.152 1.269 109 HG23 VAL 15 HG23 VAL 15 3.141 3.198 2.709 110 H ASN 16 HN ASN 16 5.352 6.063 5.437 111 HA ASN 16 HA ASN 16 8.172 6.159 5.584 112 HB2 ASN 16 HB2 ASN 16 6.658 8.109 5.253 113 HB3 ASN 16 HB1 ASN 16 6.222 7.994 6.954 114 HD21 ASN 16 HD21 ASN 16 8.727 8.646 4.698 115 HD22 ASN 16 HD22 ASN 16 9.762 9.557 5.734 116 H GLU 17 HN GLU 17 5.698 5.466 7.997 117 HA GLU 17 HA GLU 17 7.700 5.509 10.063 118 HB2 GLU 17 HB2 GLU 17 5.849 4.786 11.594 119 HB3 GLU 17 HB1 GLU 17 5.576 6.306 10.765 120 HG2 GLU 17 HG2 GLU 17 4.094 5.175 9.186 121 HG3 GLU 17 HG1 GLU 17 4.383 3.650 10.021 122 H ILE 18 HN ILE 18 5.960 3.027 8.298 123 HA ILE 18 HA ILE 18 7.149 0.938 9.896 124 HB ILE 18 HB ILE 18 5.433 0.759 7.407 125 HG12 ILE 18 HG12 ILE 18 4.848 0.449 10.362 126 HG13 ILE 18 HG11 ILE 18 4.354 1.781 9.324 127 HG21 ILE 18 HG21 ILE 18 5.164 -1.616 8.025 128 HG22 ILE 18 HG22 ILE 18 6.299 -1.403 9.359 129 HG23 ILE 18 HG23 ILE 18 6.859 -1.248 7.693 130 HD11 ILE 18 HD11 ILE 18 2.524 0.255 9.787 131 HD12 ILE 18 HD12 ILE 18 3.447 -1.074 9.084 132 HD13 ILE 18 HD13 ILE 18 2.924 0.270 8.070 133 H ALA 19 HN ALA 19 7.507 1.967 6.488 134 HA ALA 19 HA ALA 19 9.818 0.198 6.295 135 HB1 ALA 19 HB1 ALA 19 8.499 1.873 4.154 136 HB2 ALA 19 HB2 ALA 19 8.187 0.163 4.457 137 HB3 ALA 19 HB3 ALA 19 9.776 0.684 3.901 138 H GLY 20 HN GLY 20 9.013 3.620 5.982 139 HA2 GLY 20 HA2 GLY 20 10.553 5.253 6.940 140 HA3 GLY 20 HA1 GLY 20 11.879 4.228 6.411 141 H ILE 21 HN ILE 21 9.487 4.362 4.091 142 HA ILE 21 HA ILE 21 11.231 5.816 2.339 143 HB ILE 21 HB ILE 21 8.516 4.564 1.848 144 HG12 ILE 21 HG12 ILE 21 10.188 2.920 2.371 145 HG13 ILE 21 HG11 ILE 21 9.829 2.833 0.650 146 HG21 ILE 21 HG21 ILE 21 10.419 5.688 -0.205 147 HG22 ILE 21 HG22 ILE 21 8.835 6.340 0.221 148 HG23 ILE 21 HG23 ILE 21 8.958 4.761 -0.556 149 HD11 ILE 21 HD11 ILE 21 12.210 2.607 1.067 150 HD12 ILE 21 HD12 ILE 21 12.227 4.165 1.897 151 HD13 ILE 21 HD13 ILE 21 11.873 4.088 0.171 152 HA PRO 22 HA PRO 22 9.993 10.042 2.768 153 HB2 PRO 22 HB2 PRO 22 9.994 9.807 -0.213 154 HB3 PRO 22 HB1 PRO 22 10.665 11.079 0.818 155 HG2 PRO 22 HG2 PRO 22 12.226 9.194 -0.237 156 HG3 PRO 22 HG1 PRO 22 12.511 9.826 1.394 157 HD2 PRO 22 HD2 PRO 22 11.482 7.193 0.550 158 HD3 PRO 22 HD1 PRO 22 12.286 7.660 2.059 159 H VAL 23 HN VAL 23 8.150 10.995 3.030 160 HA VAL 23 HA VAL 23 5.656 9.763 2.370 161 HB VAL 23 HB VAL 23 4.620 11.744 3.463 162 HG11 VAL 23 HG11 VAL 23 5.509 11.319 5.685 163 HG12 VAL 23 HG12 VAL 23 6.893 10.491 4.971 164 HG13 VAL 23 HG13 VAL 23 5.272 9.821 4.786 165 HG21 VAL 23 HG21 VAL 23 6.212 13.412 2.759 166 HG22 VAL 23 HG22 VAL 23 7.478 12.618 3.672 167 HG23 VAL 23 HG23 VAL 23 6.133 13.397 4.534 168 H GLU 24 HN GLU 24 7.442 11.239 0.265 169 HA GLU 24 HA GLU 24 5.197 12.623 -1.080 170 HB2 GLU 24 HB2 GLU 24 8.125 13.321 -1.236 171 HB3 GLU 24 HB1 GLU 24 6.797 14.181 -1.989 172 HG2 GLU 24 HG2 GLU 24 5.985 14.885 0.172 173 HG3 GLU 24 HG1 GLU 24 7.243 13.938 0.974 174 H ASP 25 HN ASP 25 7.118 9.977 -1.068 175 HA ASP 25 HA ASP 25 7.792 10.103 -3.921 176 HB2 ASP 25 HB2 ASP 25 9.648 10.093 -2.336 177 HB3 ASP 25 HB1 ASP 25 9.099 8.577 -1.667 178 H VAL 26 HN VAL 26 5.478 8.828 -2.031 179 HA VAL 26 HA VAL 26 5.533 6.175 -3.220 180 HB VAL 26 HB VAL 26 3.714 7.279 -1.034 181 HG11 VAL 26 HG11 VAL 26 4.152 4.440 -1.948 182 HG12 VAL 26 HG12 VAL 26 2.710 5.414 -2.237 183 HG13 VAL 26 HG13 VAL 26 3.142 4.943 -0.592 184 HG21 VAL 26 HG21 VAL 26 5.063 5.958 0.534 185 HG22 VAL 26 HG22 VAL 26 6.025 7.200 -0.269 186 HG23 VAL 26 HG23 VAL 26 6.151 5.519 -0.783 187 H LYS 27 HN LYS 27 5.148 7.212 -5.220 188 HA LYS 27 HA LYS 27 2.487 8.365 -5.617 189 HB2 LYS 27 HB2 LYS 27 4.952 8.459 -7.356 190 HB3 LYS 27 HB1 LYS 27 3.397 9.203 -7.725 191 HG2 LYS 27 HG2 LYS 27 3.567 10.633 -5.799 192 HG3 LYS 27 HG1 LYS 27 5.090 9.867 -5.344 193 HD2 LYS 27 HD2 LYS 27 6.146 10.684 -7.350 194 HD3 LYS 27 HD1 LYS 27 4.611 11.346 -7.923 195 HE2 LYS 27 HE2 LYS 27 6.047 12.187 -5.414 196 HE3 LYS 27 HE1 LYS 27 6.060 13.069 -6.942 197 HZ1 LYS 27 HZ1 LYS 27 3.699 13.386 -6.770 198 HZ2 LYS 27 HZ2 LYS 27 4.421 13.951 -5.339 199 HZ3 LYS 27 HZ3 LYS 27 3.601 12.500 -5.343 200 H LEU 28 HN LEU 28 1.461 7.844 -7.779 201 HA LEU 28 HA LEU 28 0.690 5.185 -7.734 202 HB2 LEU 28 HB2 LEU 28 0.331 7.214 -9.932 203 HB3 LEU 28 HB1 LEU 28 -0.466 5.652 -9.902 204 HG LEU 28 HG LEU 28 -0.836 7.853 -7.857 205 HD11 LEU 28 HD11 LEU 28 -1.891 8.409 -9.972 206 HD12 LEU 28 HD12 LEU 28 -3.108 7.988 -8.755 207 HD13 LEU 28 HD13 LEU 28 -2.671 6.825 -10.002 208 HD21 LEU 28 HD21 LEU 28 -2.187 5.176 -8.126 209 HD22 LEU 28 HD22 LEU 28 -2.629 6.450 -6.987 210 HD23 LEU 28 HD23 LEU 28 -1.064 5.660 -6.853 211 H ASP 29 HN ASP 29 3.207 6.626 -9.657 212 HA ASP 29 HA ASP 29 3.545 4.179 -11.203 213 HB2 ASP 29 HB2 ASP 29 5.295 5.463 -12.436 214 HB3 ASP 29 HB1 ASP 29 3.706 6.213 -12.489 215 H LYS 30 HN LYS 30 4.214 4.501 -8.227 216 HA LYS 30 HA LYS 30 7.010 3.701 -8.405 217 HB2 LYS 30 HB2 LYS 30 5.478 4.791 -5.996 218 HB3 LYS 30 HB1 LYS 30 7.128 4.150 -6.053 219 HG2 LYS 30 HG2 LYS 30 6.539 6.310 -7.877 220 HG3 LYS 30 HG1 LYS 30 6.759 6.654 -6.149 221 HD2 LYS 30 HD2 LYS 30 8.867 5.585 -6.116 222 HD3 LYS 30 HD1 LYS 30 8.628 4.929 -7.739 223 HE2 LYS 30 HE2 LYS 30 8.569 6.861 -8.624 224 HE3 LYS 30 HE1 LYS 30 8.688 7.862 -7.150 225 HZ1 LYS 30 HZ1 LYS 30 10.801 6.193 -8.486 226 HZ2 LYS 30 HZ2 LYS 30 10.904 6.581 -6.852 227 HZ3 LYS 30 HZ3 LYS 30 10.927 7.811 -7.995 228 H SER 31 HN SER 31 7.438 1.722 -8.114 229 HA SER 31 HA SER 31 5.376 -0.083 -7.202 230 HB2 SER 31 HB2 SER 31 6.616 -0.673 -9.230 231 HB3 SER 31 HB1 SER 31 8.134 -0.617 -8.333 232 HG SER 31 HG SER 31 6.028 -2.279 -7.482 233 H PHE 32 HN PHE 32 5.391 -1.050 -5.340 234 HA PHE 32 HA PHE 32 6.975 -0.321 -3.144 235 HB2 PHE 32 HB2 PHE 32 5.442 -2.887 -3.623 236 HB3 PHE 32 HB1 PHE 32 6.141 -2.421 -2.086 237 HD1 PHE 32 HD1 PHE 32 5.158 -0.665 -0.771 238 HD2 PHE 32 HD2 PHE 32 3.445 -1.899 -4.447 239 HE1 PHE 32 HE1 PHE 32 3.067 0.474 -0.165 240 HE2 PHE 32 HE2 PHE 32 1.344 -0.765 -3.857 241 HZ PHE 32 HZ PHE 32 1.155 0.422 -1.714 242 H THR 33 HN THR 33 6.968 -3.414 -4.910 243 HA THR 33 HA THR 33 9.397 -4.302 -3.771 244 HB THR 33 HB THR 33 8.230 -5.633 -6.112 245 HG1 THR 33 HG1 THR 33 6.622 -5.853 -3.835 246 HG21 THR 33 HG21 THR 33 9.858 -6.698 -4.582 247 HG22 THR 33 HG22 THR 33 8.313 -7.552 -4.564 248 HG23 THR 33 HG23 THR 33 8.739 -6.468 -3.238 249 H ASP 34 HN ASP 34 10.120 -1.961 -5.119 250 HA ASP 34 HA ASP 34 12.195 -2.801 -6.777 251 HB2 ASP 34 HB2 ASP 34 10.434 -3.299 -8.449 252 HB3 ASP 34 HB1 ASP 34 9.970 -1.600 -8.435 253 H ASP 35 HN ASP 35 9.940 -0.012 -6.738 254 HA ASP 35 HA ASP 35 12.192 1.779 -7.144 255 HB2 ASP 35 HB2 ASP 35 9.261 2.442 -6.749 256 HB3 ASP 35 HB1 ASP 35 10.516 3.569 -7.222 257 H LEU 36 HN LEU 36 9.864 0.965 -4.687 258 HA LEU 36 HA LEU 36 10.872 3.088 -2.945 259 HB2 LEU 36 HB2 LEU 36 8.560 1.217 -2.516 260 HB3 LEU 36 HB1 LEU 36 8.952 2.629 -1.561 261 HG LEU 36 HG LEU 36 8.014 2.608 -4.424 262 HD11 LEU 36 HD11 LEU 36 6.255 2.095 -2.843 263 HD12 LEU 36 HD12 LEU 36 6.025 3.702 -3.529 264 HD13 LEU 36 HD13 LEU 36 6.663 3.525 -1.896 265 HD21 LEU 36 HD21 LEU 36 9.587 4.391 -4.066 266 HD22 LEU 36 HD22 LEU 36 8.711 4.926 -2.626 267 HD23 LEU 36 HD23 LEU 36 7.957 5.045 -4.223 268 H ASP 37 HN ASP 37 10.168 -0.379 -2.766 269 HA ASP 37 HA ASP 37 10.696 -2.013 -1.453 270 HB2 ASP 37 HB2 ASP 37 13.115 -1.551 -1.461 271 HB3 ASP 37 HB1 ASP 37 12.902 -0.291 -0.241 272 H VAL 38 HN VAL 38 9.349 -2.602 -0.115 273 HA VAL 38 HA VAL 38 8.476 -0.692 1.952 274 HB VAL 38 HB VAL 38 6.859 -1.150 0.134 275 HG11 VAL 38 HG11 VAL 38 6.908 -3.986 1.070 276 HG12 VAL 38 HG12 VAL 38 7.439 -3.351 -0.487 277 HG13 VAL 38 HG13 VAL 38 5.730 -3.308 -0.053 278 HG21 VAL 38 HG21 VAL 38 5.957 -0.484 2.284 279 HG22 VAL 38 HG22 VAL 38 5.955 -2.160 2.833 280 HG23 VAL 38 HG23 VAL 38 4.878 -1.658 1.529 281 H ASP 39 HN ASP 39 10.589 -2.561 1.869 282 HA ASP 39 HA ASP 39 11.770 -3.965 3.076 283 HB2 ASP 39 HB2 ASP 39 10.861 -2.416 4.915 284 HB3 ASP 39 HB1 ASP 39 9.786 -3.763 5.307 285 H SER 40 HN SER 40 9.077 -4.716 1.869 286 HA SER 40 HA SER 40 7.894 -6.446 1.208 287 HB2 SER 40 HB2 SER 40 9.145 -8.559 0.761 288 HB3 SER 40 HB1 SER 40 9.878 -7.086 0.127 289 H LEU 41 HN LEU 41 9.550 -7.679 4.064 290 HA LEU 41 HA LEU 41 7.254 -9.313 4.628 291 HB2 LEU 41 HB2 LEU 41 8.471 -9.977 6.732 292 HB3 LEU 41 HB1 LEU 41 9.286 -10.363 5.239 293 HG LEU 41 HG LEU 41 10.731 -8.293 5.667 294 HD11 LEU 41 HD11 LEU 41 9.289 -7.230 7.333 295 HD12 LEU 41 HD12 LEU 41 10.924 -7.494 7.938 296 HD13 LEU 41 HD13 LEU 41 9.606 -8.556 8.450 297 HD21 LEU 41 HD21 LEU 41 11.533 -10.563 5.951 298 HD22 LEU 41 HD22 LEU 41 10.864 -10.616 7.581 299 HD23 LEU 41 HD23 LEU 41 12.189 -9.513 7.207 300 H SER 42 HN SER 42 8.593 -6.307 5.812 301 HA SER 42 HA SER 42 6.627 -6.025 7.808 302 HB2 SER 42 HB2 SER 42 8.607 -4.061 6.664 303 HB3 SER 42 HB1 SER 42 7.478 -3.653 7.961 304 HG SER 42 HG SER 42 8.792 -4.522 9.250 305 H MET 43 HN MET 43 6.621 -5.676 4.541 306 HA MET 43 HA MET 43 5.031 -3.546 3.970 307 HB2 MET 43 HB2 MET 43 5.964 -4.809 2.178 308 HB3 MET 43 HB1 MET 43 5.122 -6.266 2.685 309 HG2 MET 43 HG2 MET 43 3.609 -3.855 1.896 310 HG3 MET 43 HG1 MET 43 4.287 -4.915 0.642 311 HE1 MET 43 HE1 MET 43 3.457 -7.322 0.266 312 HE2 MET 43 HE2 MET 43 2.340 -8.212 1.316 313 HE3 MET 43 HE3 MET 43 3.942 -7.733 1.906 314 H VAL 44 HN VAL 44 4.172 -6.724 4.925 315 HA VAL 44 HA VAL 44 1.456 -6.717 4.728 316 HB VAL 44 HB VAL 44 3.093 -8.090 6.886 317 HG11 VAL 44 HG11 VAL 44 1.238 -9.680 7.061 318 HG12 VAL 44 HG12 VAL 44 0.303 -8.719 5.917 319 HG13 VAL 44 HG13 VAL 44 0.724 -8.050 7.494 320 HG21 VAL 44 HG21 VAL 44 3.003 -10.026 5.385 321 HG22 VAL 44 HG22 VAL 44 3.802 -8.642 4.636 322 HG23 VAL 44 HG23 VAL 44 2.140 -9.051 4.191 323 H GLU 45 HN GLU 45 3.450 -5.410 7.351 324 HA GLU 45 HA GLU 45 1.287 -4.780 9.053 325 HB2 GLU 45 HB2 GLU 45 4.081 -3.627 9.012 326 HB3 GLU 45 HB1 GLU 45 2.912 -3.416 10.313 327 HG2 GLU 45 HG2 GLU 45 2.874 -5.915 10.541 328 HG3 GLU 45 HG1 GLU 45 4.213 -5.958 9.411 329 H VAL 46 HN VAL 46 3.089 -2.949 6.603 330 HA VAL 46 HA VAL 46 1.839 -0.476 6.760 331 HB VAL 46 HB VAL 46 2.594 -2.002 4.229 332 HG11 VAL 46 HG11 VAL 46 2.736 0.198 3.128 333 HG12 VAL 46 HG12 VAL 46 2.128 0.967 4.593 334 HG13 VAL 46 HG13 VAL 46 1.102 -0.143 3.693 335 HG21 VAL 46 HG21 VAL 46 4.171 -0.001 5.845 336 HG22 VAL 46 HG22 VAL 46 4.682 -0.713 4.313 337 HG23 VAL 46 HG23 VAL 46 4.481 -1.733 5.738 338 H VAL 47 HN VAL 47 0.811 -3.362 4.976 339 HA VAL 47 HA VAL 47 -1.610 -2.443 3.973 340 HB VAL 47 HB VAL 47 -0.995 -5.269 4.892 341 HG11 VAL 47 HG11 VAL 47 -3.071 -4.256 2.937 342 HG12 VAL 47 HG12 VAL 47 -3.397 -4.905 4.542 343 HG13 VAL 47 HG13 VAL 47 -2.727 -5.950 3.287 344 HG21 VAL 47 HG21 VAL 47 0.619 -4.428 3.294 345 HG22 VAL 47 HG22 VAL 47 -0.689 -3.952 2.210 346 HG23 VAL 47 HG23 VAL 47 -0.409 -5.657 2.562 347 H VAL 48 HN VAL 48 -1.053 -4.136 7.062 348 HA VAL 48 HA VAL 48 -3.636 -4.199 8.081 349 HB VAL 48 HB VAL 48 -1.129 -3.599 9.686 350 HG11 VAL 48 HG11 VAL 48 -3.154 -3.160 10.976 351 HG12 VAL 48 HG12 VAL 48 -2.330 -4.597 11.582 352 HG13 VAL 48 HG13 VAL 48 -3.770 -4.764 10.578 353 HG21 VAL 48 HG21 VAL 48 -1.040 -6.015 10.071 354 HG22 VAL 48 HG22 VAL 48 -0.890 -5.611 8.359 355 HG23 VAL 48 HG23 VAL 48 -2.418 -6.226 8.990 356 H ALA 49 HN ALA 49 -1.346 -1.535 8.282 357 HA ALA 49 HA ALA 49 -3.100 0.157 9.788 358 HB1 ALA 49 HB1 ALA 49 -1.429 1.881 9.474 359 HB2 ALA 49 HB2 ALA 49 -0.587 0.881 8.287 360 HB3 ALA 49 HB3 ALA 49 -0.672 0.370 9.976 361 H ALA 50 HN ALA 50 -2.355 -0.312 6.422 362 HA ALA 50 HA ALA 50 -3.775 1.930 5.431 363 HB1 ALA 50 HB1 ALA 50 -3.158 -0.728 4.129 364 HB2 ALA 50 HB2 ALA 50 -2.154 0.722 4.049 365 HB3 ALA 50 HB3 ALA 50 -3.747 0.701 3.286 366 H GLU 51 HN GLU 51 -4.614 -1.396 6.183 367 HA GLU 51 HA GLU 51 -7.253 -1.367 5.323 368 HB2 GLU 51 HB2 GLU 51 -6.039 -2.945 7.603 369 HB3 GLU 51 HB1 GLU 51 -7.626 -3.239 6.913 370 HG2 GLU 51 HG2 GLU 51 -6.573 -3.780 4.752 371 HG3 GLU 51 HG1 GLU 51 -4.996 -3.503 5.485 372 H GLU 52 HN GLU 52 -5.756 -0.247 8.208 373 HA GLU 52 HA GLU 52 -8.103 0.369 9.652 374 HB2 GLU 52 HB2 GLU 52 -5.816 0.135 10.624 375 HB3 GLU 52 HB1 GLU 52 -5.353 1.620 9.817 376 HG2 GLU 52 HG2 GLU 52 -5.787 2.087 12.111 377 HG3 GLU 52 HG1 GLU 52 -7.068 2.812 11.140 378 H ARG 53 HN ARG 53 -5.788 2.313 7.831 379 HA ARG 53 HA ARG 53 -6.899 4.827 7.981 380 HB2 ARG 53 HB2 ARG 53 -4.626 4.362 7.294 381 HB3 ARG 53 HB1 ARG 53 -5.200 3.639 5.806 382 HG2 ARG 53 HG2 ARG 53 -4.398 5.779 5.238 383 HG3 ARG 53 HG1 ARG 53 -6.152 5.892 5.209 384 HD2 ARG 53 HD2 ARG 53 -4.424 6.750 7.524 385 HD3 ARG 53 HD1 ARG 53 -4.970 7.832 6.254 386 HE ARG 53 HE ARG 53 -7.204 6.577 7.431 387 HH11 ARG 53 HH11 ARG 53 -4.722 9.000 8.132 388 HH12 ARG 53 HH12 ARG 53 -5.637 9.811 9.318 389 HH21 ARG 53 HH21 ARG 53 -8.506 7.726 9.002 390 HH22 ARG 53 HH22 ARG 53 -7.857 9.091 9.800 391 H PHE 54 HN PHE 54 -7.527 2.388 5.464 392 HA PHE 54 HA PHE 54 -9.381 4.313 4.144 393 HB2 PHE 54 HB2 PHE 54 -8.525 1.667 2.998 394 HB3 PHE 54 HB1 PHE 54 -9.160 3.069 2.153 395 HD1 PHE 54 HD1 PHE 54 -7.560 5.227 3.006 396 HD2 PHE 54 HD2 PHE 54 -6.415 1.215 2.252 397 HE1 PHE 54 HE1 PHE 54 -5.269 5.977 2.460 398 HE2 PHE 54 HE2 PHE 54 -4.142 1.957 1.710 399 HZ PHE 54 HZ PHE 54 -3.504 4.231 1.971 400 H ASP 55 HN ASP 55 -9.454 1.924 6.335 401 HA ASP 55 HA ASP 55 -10.717 0.218 6.992 402 HB2 ASP 55 HB2 ASP 55 -12.444 2.072 7.125 403 HB3 ASP 55 HB1 ASP 55 -13.005 1.593 5.527 404 H VAL 56 HN VAL 56 -9.258 -0.036 4.675 405 HA VAL 56 HA VAL 56 -10.809 -1.663 2.869 406 HB VAL 56 HB VAL 56 -8.808 -0.228 2.079 407 HG11 VAL 56 HG11 VAL 56 -7.188 -2.429 3.280 408 HG12 VAL 56 HG12 VAL 56 -7.156 -0.717 3.734 409 HG13 VAL 56 HG13 VAL 56 -6.590 -1.240 2.139 410 HG21 VAL 56 HG21 VAL 56 -9.760 -1.872 0.593 411 HG22 VAL 56 HG22 VAL 56 -8.764 -3.136 1.316 412 HG23 VAL 56 HG23 VAL 56 -8.008 -1.827 0.407 413 H LYS 57 HN LYS 57 -9.904 -3.913 2.467 414 HA LYS 57 HA LYS 57 -8.641 -5.069 4.744 415 HB2 LYS 57 HB2 LYS 57 -10.352 -6.817 5.035 416 HB3 LYS 57 HB1 LYS 57 -10.906 -5.138 5.225 417 HG2 LYS 57 HG2 LYS 57 -11.417 -6.490 2.638 418 HG3 LYS 57 HG1 LYS 57 -12.416 -6.911 4.019 419 HD2 LYS 57 HD2 LYS 57 -12.005 -4.073 3.054 420 HD3 LYS 57 HD1 LYS 57 -13.321 -5.099 2.498 421 HE2 LYS 57 HE2 LYS 57 -14.234 -3.731 4.206 422 HE3 LYS 57 HE1 LYS 57 -14.013 -5.317 4.926 423 HZ1 LYS 57 HZ1 LYS 57 -12.201 -2.969 5.342 424 HZ2 LYS 57 HZ2 LYS 57 -12.043 -4.473 6.115 425 HZ3 LYS 57 HZ3 LYS 57 -13.370 -3.518 6.400 426 H ILE 58 HN ILE 58 -7.027 -6.107 4.008 427 HA ILE 58 HA ILE 58 -7.261 -7.559 1.473 428 HB ILE 58 HB ILE 58 -4.867 -5.776 2.078 429 HG12 ILE 58 HG12 ILE 58 -7.088 -5.251 0.076 430 HG13 ILE 58 HG11 ILE 58 -6.912 -4.407 1.608 431 HG21 ILE 58 HG21 ILE 58 -4.279 -6.239 -0.256 432 HG22 ILE 58 HG22 ILE 58 -5.740 -7.206 -0.419 433 HG23 ILE 58 HG23 ILE 58 -4.447 -7.749 0.659 434 HD11 ILE 58 HD11 ILE 58 -4.945 -4.362 -0.671 435 HD12 ILE 58 HD12 ILE 58 -4.773 -3.508 0.866 436 HD13 ILE 58 HD13 ILE 58 -6.075 -3.077 -0.242 437 HA PRO 59 HA PRO 59 -5.239 -10.341 4.458 438 HB2 PRO 59 HB2 PRO 59 -5.648 -12.570 2.882 439 HB3 PRO 59 HB1 PRO 59 -6.812 -11.949 4.060 440 HG2 PRO 59 HG2 PRO 59 -6.749 -11.608 1.102 441 HG3 PRO 59 HG1 PRO 59 -8.133 -11.856 2.179 442 HD2 PRO 59 HD2 PRO 59 -7.468 -9.437 1.159 443 HD3 PRO 59 HD1 PRO 59 -8.250 -9.631 2.740 444 H ASP 60 HN ASP 60 -3.401 -11.892 4.161 445 HA ASP 60 HA ASP 60 -1.402 -10.542 2.657 446 HB2 ASP 60 HB2 ASP 60 0.197 -12.207 3.417 447 HB3 ASP 60 HB1 ASP 60 -0.728 -11.531 4.756 448 H ASP 61 HN ASP 61 -3.110 -13.561 2.046 449 HA ASP 61 HA ASP 61 -1.560 -14.432 -0.150 450 HB2 ASP 61 HB2 ASP 61 -3.363 -15.798 0.863 451 HB3 ASP 61 HB1 ASP 61 -4.559 -14.664 0.249 452 H ASP 62 HN ASP 62 -4.148 -12.220 0.156 453 HA ASP 62 HA ASP 62 -4.709 -11.715 -2.574 454 HB2 ASP 62 HB2 ASP 62 -6.157 -11.373 -0.460 455 HB3 ASP 62 HB1 ASP 62 -5.221 -9.895 -0.268 456 H VAL 63 HN VAL 63 -2.688 -10.075 -0.109 457 HA VAL 63 HA VAL 63 -2.171 -7.836 -1.752 458 HB VAL 63 HB VAL 63 -2.075 -7.708 0.734 459 HG11 VAL 63 HG11 VAL 63 -0.081 -8.396 1.938 460 HG12 VAL 63 HG12 VAL 63 0.562 -9.117 0.467 461 HG13 VAL 63 HG13 VAL 63 -0.898 -9.780 1.205 462 HG21 VAL 63 HG21 VAL 63 -1.077 -5.952 -0.609 463 HG22 VAL 63 HG22 VAL 63 0.443 -6.850 -0.657 464 HG23 VAL 63 HG23 VAL 63 -0.150 -6.215 0.870 465 H LYS 64 HN LYS 64 -0.723 -10.931 -1.635 466 HA LYS 64 HA LYS 64 1.889 -10.338 -2.416 467 HB2 LYS 64 HB2 LYS 64 0.295 -12.790 -3.144 468 HB3 LYS 64 HB1 LYS 64 2.028 -12.625 -3.346 469 HG2 LYS 64 HG2 LYS 64 2.199 -12.301 -0.884 470 HG3 LYS 64 HG1 LYS 64 0.479 -12.689 -0.777 471 HD2 LYS 64 HD2 LYS 64 2.660 -14.468 -1.866 472 HD3 LYS 64 HD1 LYS 64 1.820 -14.660 -0.329 473 HE2 LYS 64 HE2 LYS 64 -0.293 -15.013 -1.549 474 HE3 LYS 64 HE1 LYS 64 0.574 -14.834 -3.071 475 HZ1 LYS 64 HZ1 LYS 64 0.222 -17.187 -2.413 476 HZ2 LYS 64 HZ2 LYS 64 1.113 -16.905 -1.034 477 HZ3 LYS 64 HZ3 LYS 64 1.867 -16.793 -2.556 478 H ASN 65 HN ASN 65 -0.926 -9.863 -4.165 479 HA ASN 65 HA ASN 65 0.273 -10.329 -6.793 480 HB2 ASN 65 HB2 ASN 65 -2.577 -9.826 -5.938 481 HB3 ASN 65 HB1 ASN 65 -2.067 -9.960 -7.618 482 HD21 ASN 65 HD21 ASN 65 -3.845 -11.628 -5.907 483 HD22 ASN 65 HD22 ASN 65 -3.199 -13.227 -6.007 484 H LEU 66 HN LEU 66 0.375 -7.879 -4.717 485 HA LEU 66 HA LEU 66 -0.374 -5.818 -6.616 486 HB2 LEU 66 HB2 LEU 66 0.558 -5.584 -3.759 487 HB3 LEU 66 HB1 LEU 66 0.033 -4.239 -4.756 488 HG LEU 66 HG LEU 66 -1.639 -6.535 -3.756 489 HD11 LEU 66 HD11 LEU 66 -1.264 -4.803 -2.118 490 HD12 LEU 66 HD12 LEU 66 -2.939 -4.802 -2.664 491 HD13 LEU 66 HD13 LEU 66 -1.813 -3.580 -3.261 492 HD21 LEU 66 HD21 LEU 66 -2.250 -6.035 -6.039 493 HD22 LEU 66 HD22 LEU 66 -2.443 -4.324 -5.631 494 HD23 LEU 66 HD23 LEU 66 -3.497 -5.548 -4.900 495 H LYS 67 HN LYS 67 1.154 -3.929 -6.817 496 HA LYS 67 HA LYS 67 3.916 -4.722 -6.676 497 HB2 LYS 67 HB2 LYS 67 4.479 -4.410 -9.022 498 HB3 LYS 67 HB1 LYS 67 3.289 -5.686 -8.845 499 HG2 LYS 67 HG2 LYS 67 2.705 -2.872 -9.777 500 HG3 LYS 67 HG1 LYS 67 3.005 -4.229 -10.846 501 HD2 LYS 67 HD2 LYS 67 0.699 -3.910 -8.914 502 HD3 LYS 67 HD1 LYS 67 0.625 -3.762 -10.663 503 HE2 LYS 67 HE2 LYS 67 1.375 -6.155 -10.828 504 HE3 LYS 67 HE1 LYS 67 1.210 -6.262 -9.077 505 HZ1 LYS 67 HZ1 LYS 67 -1.198 -5.645 -9.384 506 HZ2 LYS 67 HZ2 LYS 67 -0.783 -7.101 -10.103 507 HZ3 LYS 67 HZ3 LYS 67 -0.938 -5.717 -11.045 508 H THR 68 HN THR 68 1.748 -2.174 -7.906 509 HA THR 68 HA THR 68 3.713 -0.215 -6.947 510 HB THR 68 HB THR 68 2.617 1.297 -8.604 511 HG1 THR 68 HG1 THR 68 1.523 -0.483 -10.244 512 HG21 THR 68 HG21 THR 68 3.648 0.320 -10.623 513 HG22 THR 68 HG22 THR 68 3.764 -1.239 -9.808 514 HG23 THR 68 HG23 THR 68 4.709 0.134 -9.225 515 H VAL 69 HN VAL 69 2.489 1.901 -6.319 516 HA VAL 69 HA VAL 69 0.140 1.118 -4.888 517 HB VAL 69 HB VAL 69 -0.116 3.371 -4.034 518 HG11 VAL 69 HG11 VAL 69 1.462 2.007 -2.887 519 HG12 VAL 69 HG12 VAL 69 1.964 3.699 -2.858 520 HG13 VAL 69 HG13 VAL 69 2.758 2.560 -3.951 521 HG21 VAL 69 HG21 VAL 69 0.440 4.606 -6.007 522 HG22 VAL 69 HG22 VAL 69 2.135 4.161 -5.825 523 HG23 VAL 69 HG23 VAL 69 1.354 5.183 -4.617 524 H GLY 70 HN GLY 70 0.808 2.046 -7.977 525 HA2 GLY 70 HA2 GLY 70 -1.550 3.430 -8.665 526 HA3 GLY 70 HA1 GLY 70 -0.522 2.510 -9.768 527 H ASP 71 HN ASP 71 -0.582 0.015 -8.892 528 HA ASP 71 HA ASP 71 -3.184 -0.867 -9.592 529 HB2 ASP 71 HB2 ASP 71 -0.988 -2.227 -9.871 530 HB3 ASP 71 HB1 ASP 71 -1.167 -2.556 -8.147 531 H ALA 72 HN ALA 72 -1.413 -0.542 -6.580 532 HA ALA 72 HA ALA 72 -3.219 -1.800 -4.876 533 HB1 ALA 72 HB1 ALA 72 -0.915 -1.184 -4.230 534 HB2 ALA 72 HB2 ALA 72 -2.124 -0.682 -3.051 535 HB3 ALA 72 HB3 ALA 72 -1.421 0.504 -4.149 536 H THR 73 HN THR 73 -3.138 1.592 -5.923 537 HA THR 73 HA THR 73 -5.148 2.543 -4.252 538 HB THR 73 HB THR 73 -4.416 3.405 -7.067 539 HG1 THR 73 HG1 THR 73 -2.747 3.689 -5.588 540 HG21 THR 73 HG21 THR 73 -6.060 4.873 -4.992 541 HG22 THR 73 HG22 THR 73 -6.677 4.193 -6.499 542 HG23 THR 73 HG23 THR 73 -5.531 5.533 -6.540 543 H LYS 74 HN LYS 74 -5.436 1.248 -7.548 544 HA LYS 74 HA LYS 74 -8.276 1.548 -7.722 545 HB2 LYS 74 HB2 LYS 74 -6.615 -0.422 -9.291 546 HB3 LYS 74 HB1 LYS 74 -8.108 0.363 -9.779 547 HG2 LYS 74 HG2 LYS 74 -5.397 1.647 -9.492 548 HG3 LYS 74 HG1 LYS 74 -6.280 1.322 -10.975 549 HD2 LYS 74 HD2 LYS 74 -7.984 2.924 -10.370 550 HD3 LYS 74 HD1 LYS 74 -7.217 3.159 -8.792 551 HE2 LYS 74 HE2 LYS 74 -6.686 4.975 -10.369 552 HE3 LYS 74 HE1 LYS 74 -5.258 4.099 -9.829 553 HZ1 LYS 74 HZ1 LYS 74 -5.168 2.945 -11.929 554 HZ2 LYS 74 HZ2 LYS 74 -5.313 4.613 -12.231 555 HZ3 LYS 74 HZ3 LYS 74 -6.655 3.606 -12.399 556 H TYR 75 HN TYR 75 -6.142 -0.784 -6.532 557 HA TYR 75 HA TYR 75 -7.801 -3.073 -6.420 558 HB2 TYR 75 HB2 TYR 75 -5.258 -2.797 -6.344 559 HB3 TYR 75 HB1 TYR 75 -5.491 -2.394 -4.658 560 HD1 TYR 75 HD1 TYR 75 -5.936 -5.043 -7.173 561 HD2 TYR 75 HD2 TYR 75 -5.794 -3.981 -3.076 562 HE1 TYR 75 HE1 TYR 75 -5.979 -7.382 -6.602 563 HE2 TYR 75 HE2 TYR 75 -5.845 -6.297 -2.432 564 HH TYR 75 HH TYR 75 -5.537 -8.803 -4.800 565 H ILE 76 HN ILE 76 -6.550 -0.791 -4.008 566 HA ILE 76 HA ILE 76 -8.045 -1.647 -1.840 567 HB ILE 76 HB ILE 76 -6.763 1.026 -2.446 568 HG12 ILE 76 HG12 ILE 76 -5.961 -1.224 -0.584 569 HG13 ILE 76 HG11 ILE 76 -5.280 -0.927 -2.172 570 HG21 ILE 76 HG21 ILE 76 -8.601 1.413 -0.894 571 HG22 ILE 76 HG22 ILE 76 -7.045 1.612 -0.085 572 HG23 ILE 76 HG23 ILE 76 -7.990 0.145 0.169 573 HD11 ILE 76 HD11 ILE 76 -5.096 0.924 0.189 574 HD12 ILE 76 HD12 ILE 76 -4.406 1.213 -1.407 575 HD13 ILE 76 HD13 ILE 76 -3.813 -0.121 -0.419 576 H LEU 77 HN LEU 77 -8.742 0.836 -4.269 577 HA LEU 77 HA LEU 77 -11.063 1.881 -3.250 578 HB2 LEU 77 HB2 LEU 77 -10.361 1.295 -6.126 579 HB3 LEU 77 HB1 LEU 77 -11.791 2.191 -5.664 580 HG LEU 77 HG LEU 77 -8.965 3.057 -5.041 581 HD11 LEU 77 HD11 LEU 77 -10.866 4.008 -7.185 582 HD12 LEU 77 HD12 LEU 77 -9.382 3.091 -7.446 583 HD13 LEU 77 HD13 LEU 77 -9.305 4.729 -6.796 584 HD21 LEU 77 HD21 LEU 77 -11.604 4.494 -4.822 585 HD22 LEU 77 HD22 LEU 77 -10.015 5.194 -4.509 586 HD23 LEU 77 HD23 LEU 77 -10.630 3.903 -3.475 587 H ASP 78 HN ASP 78 -10.662 -1.151 -4.988 588 HA ASP 78 HA ASP 78 -13.515 -1.695 -4.892 589 HB2 ASP 78 HB2 ASP 78 -12.271 -2.306 -6.918 590 HB3 ASP 78 HB1 ASP 78 -11.264 -3.401 -5.976 591 H HIS 79 HN HIS 79 -10.566 -2.849 -3.426 592 HA HIS 79 HA HIS 79 -11.761 -5.106 -2.065 593 HB2 HIS 79 HB2 HIS 79 -9.193 -4.396 -2.829 594 HB3 HIS 79 HB1 HIS 79 -9.158 -4.301 -1.072 595 HD1 HIS 79 HD1 HIS 79 -9.845 -6.597 0.218 596 HD2 HIS 79 HD2 HIS 79 -9.097 -6.920 -3.857 597 HE1 HIS 79 HE1 HIS 79 -9.574 -9.015 -0.225 598 HE2 HIS 79 HE2 HIS 79 -8.592 -9.041 -2.490 599 H GLN 80 HN GLN 80 -12.157 -1.986 -1.381 600 HA GLN 80 HA GLN 80 -11.683 -2.183 1.506 601 HB2 GLN 80 HB2 GLN 80 -12.064 0.209 1.598 602 HB3 GLN 80 HB1 GLN 80 -10.872 -0.191 0.365 603 HG2 GLN 80 HG2 GLN 80 -12.666 0.023 -1.356 604 HG3 GLN 80 HG1 GLN 80 -13.763 0.563 -0.091 605 HE21 GLN 80 HE21 GLN 80 -10.376 1.454 -0.328 606 HE22 GLN 80 HE22 GLN 80 -10.672 3.118 -0.717 607 H ALA 81 HN ALA 81 -13.399 -1.151 2.903 608 HA ALA 81 HA ALA 81 -15.961 -2.250 2.215 609 HB1 ALA 81 HB1 ALA 81 -15.005 -0.771 4.680 610 HB2 ALA 81 HB2 ALA 81 -15.122 -2.522 4.509 611 HB3 ALA 81 HB3 ALA 81 -16.583 -1.535 4.493 612 H2 SOO 101 H2A SOO 101 4.707 -4.502 -1.318 613 H3 SOO 101 H3A SOO 101 1.961 -5.592 -2.251 614 H4 SOO 101 H4A SOO 101 2.601 -3.745 -0.045 615 H4A SOO 101 H4B SOO 101 2.675 -2.824 -1.546 616 H5 SOO 101 H5A SOO 101 0.304 -4.459 -0.692 617 H5A SOO 101 H5B SOO 101 0.401 -3.336 -2.050 618 H6 SOO 101 H6A SOO 101 0.755 -1.480 -0.501 619 H6A SOO 101 H6B SOO 101 0.674 -2.598 0.863 620 H7 SOO 101 H7A SOO 101 -1.637 -3.159 0.280 621 H7A SOO 101 H7B SOO 101 -1.561 -2.029 -1.086 622 H8 SOO 101 H8C SOO 101 -1.196 -1.337 1.830 623 H8A SOO 101 H8A SOO 101 -2.637 -1.016 0.865 624 H8B SOO 101 H8B SOO 101 -1.120 -0.202 0.483 625 H28 SOO 101 H28A SOO 101 11.469 -11.295 1.894 626 H28A SOO 101 H28B SOO 101 9.970 -10.373 1.908 627 H30 SOO 101 H30A SOO 101 9.423 -10.756 -1.099 628 H30A SOO 101 H30B SOO 101 8.216 -10.856 0.182 629 H30B SOO 101 H30C SOO 101 8.428 -12.203 -0.936 630 H31 SOO 101 H31A SOO 101 11.464 -12.164 -1.009 631 H31A SOO 101 H31B SOO 101 10.485 -13.620 -0.813 632 H31B SOO 101 H31C SOO 101 11.739 -13.235 0.366 633 H32 SOO 101 H32A SOO 101 8.789 -13.809 1.076 634 HO33 SOO 101 H33A SOO 101 10.087 -13.184 3.292 635 HN36 SOO 101 H36A SOO 101 6.936 -12.234 1.151 636 H37 SOO 101 H37A SOO 101 6.049 -11.694 3.826 637 H37A SOO 101 H37B SOO 101 6.364 -10.230 2.917 638 H38 SOO 101 H38A SOO 101 4.408 -12.429 2.140 639 H38A SOO 101 H38B SOO 101 4.046 -10.808 2.771 640 HN41 SOO 101 H41A SOO 101 5.822 -9.376 1.331 641 H42 SOO 101 H42A SOO 101 6.068 -9.608 -1.385 642 H42A SOO 101 H42B SOO 101 4.455 -8.929 -1.142 643 H43 SOO 101 H43A SOO 101 7.033 -7.761 -0.094 644 H43A SOO 101 H43B SOO 101 5.411 -7.097 0.129 Start of MODEL 15 1 H1 ALA 1 HT1 ALA 1 -14.888 4.914 4.177 2 H2 ALA 1 HT2 ALA 1 -14.796 6.413 3.429 3 H3 ALA 1 HT3 ALA 1 -13.492 5.865 4.348 4 HA ALA 1 HA ALA 1 -13.150 4.056 2.801 5 HB1 ALA 1 HB1 ALA 1 -15.274 5.461 1.178 6 HB2 ALA 1 HB2 ALA 1 -15.456 3.900 1.977 7 HB3 ALA 1 HB3 ALA 1 -14.308 4.085 0.648 8 H ALA 2 HN ALA 2 -11.829 4.404 0.886 9 HA ALA 2 HA ALA 2 -10.589 7.052 1.089 10 HB1 ALA 2 HB1 ALA 2 -9.219 5.160 1.768 11 HB2 ALA 2 HB2 ALA 2 -8.553 5.945 0.331 12 HB3 ALA 2 HB3 ALA 2 -9.446 4.429 0.183 13 H THR 3 HN THR 3 -9.235 7.536 -0.958 14 HA THR 3 HA THR 3 -10.488 6.826 -3.483 15 HB THR 3 HB THR 3 -10.145 9.237 -4.172 16 HG1 THR 3 HG1 THR 3 -9.872 10.771 -2.514 17 HG21 THR 3 HG21 THR 3 -12.412 8.484 -3.562 18 HG22 THR 3 HG22 THR 3 -12.151 10.157 -3.061 19 HG23 THR 3 HG23 THR 3 -12.078 8.859 -1.871 20 H GLN 4 HN GLN 4 -8.726 8.080 -5.192 21 HA GLN 4 HA GLN 4 -6.271 6.849 -4.784 22 HB2 GLN 4 HB2 GLN 4 -6.943 7.384 -7.018 23 HB3 GLN 4 HB1 GLN 4 -7.148 9.078 -6.626 24 HG2 GLN 4 HG2 GLN 4 -4.425 7.862 -6.455 25 HG3 GLN 4 HG1 GLN 4 -5.093 8.253 -8.042 26 HE21 GLN 4 HE21 GLN 4 -2.780 9.437 -6.688 27 HE22 GLN 4 HE22 GLN 4 -3.150 11.111 -6.497 28 H GLU 5 HN GLU 5 -7.303 10.138 -4.143 29 HA GLU 5 HA GLU 5 -4.820 11.223 -3.411 30 HB2 GLU 5 HB2 GLU 5 -7.050 12.408 -3.838 31 HB3 GLU 5 HB1 GLU 5 -7.450 12.001 -2.175 32 HG2 GLU 5 HG2 GLU 5 -6.627 14.232 -2.242 33 HG3 GLU 5 HG1 GLU 5 -5.417 13.217 -1.454 34 H GLU 6 HN GLU 6 -7.283 9.530 -1.563 35 HA GLU 6 HA GLU 6 -6.059 9.922 0.976 36 HB2 GLU 6 HB2 GLU 6 -8.114 7.915 0.086 37 HB3 GLU 6 HB1 GLU 6 -7.644 8.216 1.749 38 HG2 GLU 6 HG2 GLU 6 -8.822 10.300 -0.064 39 HG3 GLU 6 HG1 GLU 6 -9.761 9.315 1.054 40 H ILE 7 HN ILE 7 -6.080 7.323 -1.398 41 HA ILE 7 HA ILE 7 -4.713 5.474 0.203 42 HB ILE 7 HB ILE 7 -5.169 5.596 -2.788 43 HG12 ILE 7 HG12 ILE 7 -6.259 3.799 -0.607 44 HG13 ILE 7 HG11 ILE 7 -7.084 5.205 -1.260 45 HG21 ILE 7 HG21 ILE 7 -3.857 3.353 -1.223 46 HG22 ILE 7 HG22 ILE 7 -3.049 4.384 -2.404 47 HG23 ILE 7 HG23 ILE 7 -4.328 3.284 -2.922 48 HD11 ILE 7 HD11 ILE 7 -6.340 2.736 -2.802 49 HD12 ILE 7 HD12 ILE 7 -7.245 4.125 -3.419 50 HD13 ILE 7 HD13 ILE 7 -7.934 3.110 -2.156 51 H VAL 8 HN VAL 8 -3.484 7.387 -2.523 52 HA VAL 8 HA VAL 8 -0.809 6.653 -2.328 53 HB VAL 8 HB VAL 8 -2.021 9.291 -3.222 54 HG11 VAL 8 HG11 VAL 8 0.361 9.588 -2.731 55 HG12 VAL 8 HG12 VAL 8 0.052 9.654 -4.468 56 HG13 VAL 8 HG13 VAL 8 0.745 8.199 -3.750 57 HG21 VAL 8 HG21 VAL 8 -1.176 6.819 -4.705 58 HG22 VAL 8 HG22 VAL 8 -1.655 8.325 -5.463 59 HG23 VAL 8 HG23 VAL 8 -2.823 7.418 -4.489 60 H ALA 9 HN ALA 9 -2.187 9.678 -1.042 61 HA ALA 9 HA ALA 9 0.088 10.462 0.382 62 HB1 ALA 9 HB1 ALA 9 -1.356 12.084 1.478 63 HB2 ALA 9 HB2 ALA 9 -2.779 11.209 0.904 64 HB3 ALA 9 HB3 ALA 9 -1.700 11.991 -0.251 65 H GLY 10 HN GLY 10 -2.691 8.528 1.403 66 HA2 GLY 10 HA2 GLY 10 -2.074 8.591 4.179 67 HA3 GLY 10 HA1 GLY 10 -3.201 7.505 3.384 68 H LEU 11 HN LEU 11 -1.394 6.314 1.581 69 HA LEU 11 HA LEU 11 -0.344 4.237 3.144 70 HB2 LEU 11 HB2 LEU 11 -0.665 4.864 0.413 71 HB3 LEU 11 HB1 LEU 11 1.030 4.478 0.636 72 HG LEU 11 HG LEU 11 -1.287 2.691 1.398 73 HD11 LEU 11 HD11 LEU 11 -1.107 2.942 -1.005 74 HD12 LEU 11 HD12 LEU 11 -0.587 1.330 -0.510 75 HD13 LEU 11 HD13 LEU 11 0.610 2.557 -0.930 76 HD21 LEU 11 HD21 LEU 11 0.679 2.320 2.796 77 HD22 LEU 11 HD22 LEU 11 1.688 2.171 1.358 78 HD23 LEU 11 HD23 LEU 11 0.439 0.970 1.686 79 H ALA 12 HN ALA 12 1.140 7.039 1.632 80 HA ALA 12 HA ALA 12 3.803 6.458 2.173 81 HB1 ALA 12 HB1 ALA 12 2.528 9.164 2.010 82 HB2 ALA 12 HB2 ALA 12 3.081 8.180 0.641 83 HB3 ALA 12 HB3 ALA 12 4.244 8.782 1.830 84 H GLU 13 HN GLU 13 1.354 7.833 4.238 85 HA GLU 13 HA GLU 13 3.026 8.817 6.280 86 HB2 GLU 13 HB2 GLU 13 0.249 7.650 6.499 87 HB3 GLU 13 HB1 GLU 13 1.058 8.582 7.746 88 HG2 GLU 13 HG2 GLU 13 1.061 10.530 6.323 89 HG3 GLU 13 HG1 GLU 13 0.331 9.597 5.015 90 H ILE 14 HN ILE 14 1.287 5.746 6.009 91 HA ILE 14 HA ILE 14 2.565 4.668 8.301 92 HB ILE 14 HB ILE 14 0.924 3.225 6.166 93 HG12 ILE 14 HG12 ILE 14 -0.750 3.003 8.076 94 HG13 ILE 14 HG11 ILE 14 0.234 4.144 8.971 95 HG21 ILE 14 HG21 ILE 14 2.492 1.671 7.241 96 HG22 ILE 14 HG22 ILE 14 0.821 1.318 7.679 97 HG23 ILE 14 HG23 ILE 14 1.875 2.150 8.823 98 HD11 ILE 14 HD11 ILE 14 -0.228 5.843 7.267 99 HD12 ILE 14 HD12 ILE 14 -1.704 5.209 7.991 100 HD13 ILE 14 HD13 ILE 14 -1.210 4.674 6.384 101 H VAL 15 HN VAL 15 3.287 4.583 4.890 102 HA VAL 15 HA VAL 15 5.303 2.651 4.962 103 HB VAL 15 HB VAL 15 4.965 5.045 3.113 104 HG11 VAL 15 HG11 VAL 15 6.675 4.031 1.667 105 HG12 VAL 15 HG12 VAL 15 6.983 2.797 2.895 106 HG13 VAL 15 HG13 VAL 15 7.346 4.491 3.230 107 HG21 VAL 15 HG21 VAL 15 4.574 2.077 2.699 108 HG22 VAL 15 HG22 VAL 15 4.345 3.322 1.474 109 HG23 VAL 15 HG23 VAL 15 3.297 3.276 2.890 110 H ASN 16 HN ASN 16 5.413 6.118 5.610 111 HA ASN 16 HA ASN 16 8.210 6.245 5.998 112 HB2 ASN 16 HB2 ASN 16 6.703 8.192 5.539 113 HB3 ASN 16 HB1 ASN 16 6.119 8.061 7.190 114 HD21 ASN 16 HD21 ASN 16 8.805 8.810 5.173 115 HD22 ASN 16 HD22 ASN 16 9.727 9.699 6.325 116 H GLU 17 HN GLU 17 5.607 5.264 8.041 117 HA GLU 17 HA GLU 17 6.974 5.518 10.535 118 HB2 GLU 17 HB2 GLU 17 4.658 3.730 9.797 119 HB3 GLU 17 HB1 GLU 17 5.190 4.110 11.428 120 HG2 GLU 17 HG2 GLU 17 4.136 6.030 9.412 121 HG3 GLU 17 HG1 GLU 17 3.219 5.382 10.776 122 H ILE 18 HN ILE 18 6.151 2.759 8.526 123 HA ILE 18 HA ILE 18 7.745 0.968 10.114 124 HB ILE 18 HB ILE 18 6.164 0.496 7.579 125 HG12 ILE 18 HG12 ILE 18 5.533 0.026 10.503 126 HG13 ILE 18 HG11 ILE 18 4.855 1.292 9.493 127 HG21 ILE 18 HG21 ILE 18 7.354 -1.480 9.551 128 HG22 ILE 18 HG22 ILE 18 7.921 -1.213 7.903 129 HG23 ILE 18 HG23 ILE 18 6.314 -1.887 8.184 130 HD11 ILE 18 HD11 ILE 18 3.300 -0.520 9.818 131 HD12 ILE 18 HD12 ILE 18 4.462 -1.660 9.144 132 HD13 ILE 18 HD13 ILE 18 3.770 -0.400 8.123 133 H ALA 19 HN ALA 19 7.899 2.122 6.745 134 HA ALA 19 HA ALA 19 10.444 0.724 6.404 135 HB1 ALA 19 HB1 ALA 19 10.253 1.272 4.050 136 HB2 ALA 19 HB2 ALA 19 8.864 2.308 4.387 137 HB3 ALA 19 HB3 ALA 19 8.743 0.568 4.635 138 H GLY 20 HN GLY 20 9.183 3.960 6.664 139 HA2 GLY 20 HA2 GLY 20 10.408 5.832 7.403 140 HA3 GLY 20 HA1 GLY 20 11.899 4.960 7.068 141 H ILE 21 HN ILE 21 9.670 4.796 4.585 142 HA ILE 21 HA ILE 21 11.385 6.288 2.824 143 HB ILE 21 HB ILE 21 8.780 4.805 2.348 144 HG12 ILE 21 HG12 ILE 21 10.577 3.327 2.957 145 HG13 ILE 21 HG11 ILE 21 10.231 3.130 1.244 146 HG21 ILE 21 HG21 ILE 21 10.586 5.983 0.246 147 HG22 ILE 21 HG22 ILE 21 8.951 6.515 0.638 148 HG23 ILE 21 HG23 ILE 21 9.217 4.913 -0.055 149 HD11 ILE 21 HD11 ILE 21 12.624 3.104 1.675 150 HD12 ILE 21 HD12 ILE 21 12.521 4.703 2.413 151 HD13 ILE 21 HD13 ILE 21 12.179 4.502 0.695 152 HA PRO 22 HA PRO 22 9.831 10.458 2.901 153 HB2 PRO 22 HB2 PRO 22 9.561 9.898 -0.023 154 HB3 PRO 22 HB1 PRO 22 10.177 11.344 0.789 155 HG2 PRO 22 HG2 PRO 22 11.832 9.500 -0.204 156 HG3 PRO 22 HG1 PRO 22 12.198 10.367 1.296 157 HD2 PRO 22 HD2 PRO 22 11.462 7.546 0.900 158 HD3 PRO 22 HD1 PRO 22 12.252 8.320 2.287 159 H VAL 23 HN VAL 23 7.965 11.433 3.108 160 HA VAL 23 HA VAL 23 5.580 9.842 3.096 161 HB VAL 23 HB VAL 23 4.494 11.781 4.159 162 HG11 VAL 23 HG11 VAL 23 5.700 10.187 5.533 163 HG12 VAL 23 HG12 VAL 23 5.845 11.819 6.184 164 HG13 VAL 23 HG13 VAL 23 7.188 11.098 5.298 165 HG21 VAL 23 HG21 VAL 23 7.159 13.078 3.713 166 HG22 VAL 23 HG22 VAL 23 5.846 13.769 4.683 167 HG23 VAL 23 HG23 VAL 23 5.646 13.525 2.937 168 H GLU 24 HN GLU 24 6.736 11.026 0.495 169 HA GLU 24 HA GLU 24 4.107 11.396 -0.660 170 HB2 GLU 24 HB2 GLU 24 4.671 13.449 -1.861 171 HB3 GLU 24 HB1 GLU 24 4.764 13.708 -0.129 172 HG2 GLU 24 HG2 GLU 24 7.182 13.599 -0.217 173 HG3 GLU 24 HG1 GLU 24 7.117 13.228 -1.941 174 H ASP 25 HN ASP 25 6.590 9.625 -0.621 175 HA ASP 25 HA ASP 25 7.295 9.794 -3.459 176 HB2 ASP 25 HB2 ASP 25 9.135 10.008 -1.900 177 HB3 ASP 25 HB1 ASP 25 8.744 8.479 -1.147 178 H VAL 26 HN VAL 26 5.175 8.297 -1.555 179 HA VAL 26 HA VAL 26 5.325 5.701 -2.851 180 HB VAL 26 HB VAL 26 3.394 6.775 -0.739 181 HG11 VAL 26 HG11 VAL 26 3.831 3.938 -1.675 182 HG12 VAL 26 HG12 VAL 26 2.416 4.935 -2.014 183 HG13 VAL 26 HG13 VAL 26 2.771 4.440 -0.360 184 HG21 VAL 26 HG21 VAL 26 5.795 4.988 -0.418 185 HG22 VAL 26 HG22 VAL 26 4.655 5.413 0.858 186 HG23 VAL 26 HG23 VAL 26 5.656 6.662 0.117 187 H LYS 27 HN LYS 27 5.101 6.923 -4.777 188 HA LYS 27 HA LYS 27 2.621 8.329 -5.355 189 HB2 LYS 27 HB2 LYS 27 5.037 7.851 -7.090 190 HB3 LYS 27 HB1 LYS 27 3.747 9.014 -7.362 191 HG2 LYS 27 HG2 LYS 27 4.417 10.324 -5.513 192 HG3 LYS 27 HG1 LYS 27 5.540 9.079 -4.963 193 HD2 LYS 27 HD2 LYS 27 6.837 9.399 -7.041 194 HD3 LYS 27 HD1 LYS 27 5.748 10.717 -7.485 195 HE2 LYS 27 HE2 LYS 27 6.382 11.954 -5.514 196 HE3 LYS 27 HE1 LYS 27 7.382 10.614 -4.956 197 HZ1 LYS 27 HZ1 LYS 27 8.711 12.309 -5.953 198 HZ2 LYS 27 HZ2 LYS 27 7.818 12.241 -7.394 199 HZ3 LYS 27 HZ3 LYS 27 8.770 10.916 -6.913 200 H LEU 28 HN LEU 28 1.468 7.868 -7.327 201 HA LEU 28 HA LEU 28 0.450 5.342 -7.578 202 HB2 LEU 28 HB2 LEU 28 0.537 7.555 -9.604 203 HB3 LEU 28 HB1 LEU 28 -0.336 6.062 -9.879 204 HG LEU 28 HG LEU 28 -0.901 7.968 -7.595 205 HD11 LEU 28 HD11 LEU 28 -1.467 8.973 -9.751 206 HD12 LEU 28 HD12 LEU 28 -2.922 8.522 -8.849 207 HD13 LEU 28 HD13 LEU 28 -2.368 7.518 -10.188 208 HD21 LEU 28 HD21 LEU 28 -1.486 5.638 -7.141 209 HD22 LEU 28 HD22 LEU 28 -2.420 5.584 -8.633 210 HD23 LEU 28 HD23 LEU 28 -2.916 6.650 -7.318 211 H ASP 29 HN ASP 29 3.210 6.617 -9.309 212 HA ASP 29 HA ASP 29 3.333 4.181 -10.934 213 HB2 ASP 29 HB2 ASP 29 5.009 6.694 -11.118 214 HB3 ASP 29 HB1 ASP 29 5.071 5.336 -12.230 215 H LYS 30 HN LYS 30 4.128 4.417 -7.948 216 HA LYS 30 HA LYS 30 6.911 3.551 -8.256 217 HB2 LYS 30 HB2 LYS 30 5.490 4.641 -5.805 218 HB3 LYS 30 HB1 LYS 30 7.166 4.110 -5.856 219 HG2 LYS 30 HG2 LYS 30 6.080 6.367 -7.536 220 HG3 LYS 30 HG1 LYS 30 6.823 6.592 -5.956 221 HD2 LYS 30 HD2 LYS 30 8.224 5.207 -8.234 222 HD3 LYS 30 HD1 LYS 30 8.312 6.953 -7.984 223 HE2 LYS 30 HE2 LYS 30 9.279 6.623 -5.790 224 HE3 LYS 30 HE1 LYS 30 9.087 4.878 -5.936 225 HZ1 LYS 30 HZ1 LYS 30 11.351 5.603 -6.361 226 HZ2 LYS 30 HZ2 LYS 30 10.867 6.551 -7.665 227 HZ3 LYS 30 HZ3 LYS 30 10.696 4.854 -7.717 228 H SER 31 HN SER 31 7.370 1.509 -7.789 229 HA SER 31 HA SER 31 5.183 -0.264 -7.129 230 HB2 SER 31 HB2 SER 31 6.709 -0.741 -9.042 231 HB3 SER 31 HB1 SER 31 8.060 -0.828 -7.919 232 HG SER 31 HG SER 31 7.170 -2.863 -8.532 233 H PHE 32 HN PHE 32 5.015 -1.317 -5.267 234 HA PHE 32 HA PHE 32 6.227 -0.389 -2.926 235 HB2 PHE 32 HB2 PHE 32 4.905 -3.061 -3.376 236 HB3 PHE 32 HB1 PHE 32 5.360 -2.426 -1.803 237 HD1 PHE 32 HD1 PHE 32 4.296 -0.247 -1.072 238 HD2 PHE 32 HD2 PHE 32 2.861 -2.597 -4.304 239 HE1 PHE 32 HE1 PHE 32 2.103 0.811 -0.853 240 HE2 PHE 32 HE2 PHE 32 0.661 -1.546 -4.104 241 HZ PHE 32 HZ PHE 32 0.270 0.163 -2.372 242 H THR 33 HN THR 33 6.755 -3.605 -4.351 243 HA THR 33 HA THR 33 9.121 -3.826 -2.733 244 HB THR 33 HB THR 33 9.243 -6.180 -3.750 245 HG1 THR 33 HG1 THR 33 6.610 -5.446 -4.652 246 HG21 THR 33 HG21 THR 33 6.807 -5.367 -2.160 247 HG22 THR 33 HG22 THR 33 8.403 -5.732 -1.502 248 HG23 THR 33 HG23 THR 33 7.453 -7.003 -2.276 249 H ASP 34 HN ASP 34 9.539 -1.883 -4.558 250 HA ASP 34 HA ASP 34 11.843 -2.893 -5.963 251 HB2 ASP 34 HB2 ASP 34 10.111 -3.327 -7.666 252 HB3 ASP 34 HB1 ASP 34 9.635 -1.632 -7.602 253 H ASP 35 HN ASP 35 9.628 -0.153 -5.726 254 HA ASP 35 HA ASP 35 11.870 1.695 -5.891 255 HB2 ASP 35 HB2 ASP 35 8.884 2.113 -5.743 256 HB3 ASP 35 HB1 ASP 35 10.054 3.420 -5.736 257 H LEU 36 HN LEU 36 9.115 0.986 -3.851 258 HA LEU 36 HA LEU 36 9.874 2.853 -1.861 259 HB2 LEU 36 HB2 LEU 36 7.827 0.660 -1.702 260 HB3 LEU 36 HB1 LEU 36 7.937 2.065 -0.661 261 HG LEU 36 HG LEU 36 7.264 2.080 -3.603 262 HD11 LEU 36 HD11 LEU 36 5.568 2.625 -1.187 263 HD12 LEU 36 HD12 LEU 36 5.474 1.216 -2.241 264 HD13 LEU 36 HD13 LEU 36 5.062 2.811 -2.865 265 HD21 LEU 36 HD21 LEU 36 6.815 4.482 -3.294 266 HD22 LEU 36 HD22 LEU 36 8.503 4.076 -3.004 267 HD23 LEU 36 HD23 LEU 36 7.427 4.373 -1.640 268 H ASP 37 HN ASP 37 9.554 -0.675 -1.761 269 HA ASP 37 HA ASP 37 10.388 -2.260 -0.488 270 HB2 ASP 37 HB2 ASP 37 12.752 -0.405 -0.330 271 HB3 ASP 37 HB1 ASP 37 12.726 -1.913 0.576 272 H VAL 38 HN VAL 38 9.037 -2.562 1.001 273 HA VAL 38 HA VAL 38 9.216 -0.923 3.432 274 HB VAL 38 HB VAL 38 6.946 -2.742 2.596 275 HG11 VAL 38 HG11 VAL 38 7.028 -2.218 5.001 276 HG12 VAL 38 HG12 VAL 38 5.644 -1.413 4.263 277 HG13 VAL 38 HG13 VAL 38 7.104 -0.494 4.640 278 HG21 VAL 38 HG21 VAL 38 7.156 -0.986 0.927 279 HG22 VAL 38 HG22 VAL 38 7.168 0.246 2.188 280 HG23 VAL 38 HG23 VAL 38 5.714 -0.711 1.907 281 H ASP 39 HN ASP 39 11.155 -2.644 3.015 282 HA ASP 39 HA ASP 39 12.476 -4.150 4.085 283 HB2 ASP 39 HB2 ASP 39 11.290 -3.038 6.084 284 HB3 ASP 39 HB1 ASP 39 10.309 -4.496 6.147 285 H SER 40 HN SER 40 9.833 -4.896 2.591 286 HA SER 40 HA SER 40 8.781 -6.541 1.622 287 HB2 SER 40 HB2 SER 40 9.961 -8.499 0.881 288 HB3 SER 40 HB1 SER 40 11.012 -7.088 0.772 289 H LEU 41 HN LEU 41 10.085 -7.785 4.618 290 HA LEU 41 HA LEU 41 7.764 -9.515 4.769 291 HB2 LEU 41 HB2 LEU 41 8.644 -10.262 6.984 292 HB3 LEU 41 HB1 LEU 41 9.752 -10.505 5.659 293 HG LEU 41 HG LEU 41 10.956 -8.396 6.476 294 HD11 LEU 41 HD11 LEU 41 9.206 -7.511 7.895 295 HD12 LEU 41 HD12 LEU 41 10.679 -7.809 8.818 296 HD13 LEU 41 HD13 LEU 41 9.311 -8.925 8.944 297 HD21 LEU 41 HD21 LEU 41 12.159 -9.625 8.191 298 HD22 LEU 41 HD22 LEU 41 11.827 -10.625 6.775 299 HD23 LEU 41 HD23 LEU 41 10.863 -10.820 8.241 300 H SER 42 HN SER 42 8.848 -6.523 6.037 301 HA SER 42 HA SER 42 6.694 -6.246 7.839 302 HB2 SER 42 HB2 SER 42 8.890 -4.369 7.015 303 HB3 SER 42 HB1 SER 42 7.563 -3.844 8.054 304 HG SER 42 HG SER 42 8.054 -5.490 9.448 305 H MET 43 HN MET 43 6.857 -5.897 4.547 306 HA MET 43 HA MET 43 5.154 -3.747 4.381 307 HB2 MET 43 HB2 MET 43 4.418 -4.574 2.067 308 HB3 MET 43 HB1 MET 43 6.102 -4.184 2.293 309 HG2 MET 43 HG2 MET 43 5.663 -6.179 0.908 310 HG3 MET 43 HG1 MET 43 6.717 -6.462 2.281 311 HE1 MET 43 HE1 MET 43 2.714 -6.248 2.251 312 HE2 MET 43 HE2 MET 43 2.369 -7.986 2.107 313 HE3 MET 43 HE3 MET 43 3.108 -7.145 0.763 314 H VAL 44 HN VAL 44 4.445 -6.975 5.231 315 HA VAL 44 HA VAL 44 1.697 -6.901 4.752 316 HB VAL 44 HB VAL 44 3.173 -8.382 6.968 317 HG11 VAL 44 HG11 VAL 44 1.206 -9.842 7.099 318 HG12 VAL 44 HG12 VAL 44 0.368 -8.817 5.932 319 HG13 VAL 44 HG13 VAL 44 0.797 -8.180 7.519 320 HG21 VAL 44 HG21 VAL 44 2.209 -9.289 4.263 321 HG22 VAL 44 HG22 VAL 44 2.986 -10.307 5.483 322 HG23 VAL 44 HG23 VAL 44 3.882 -8.981 4.737 323 H GLU 45 HN GLU 45 3.713 -5.666 7.284 324 HA GLU 45 HA GLU 45 1.682 -4.987 9.125 325 HB2 GLU 45 HB2 GLU 45 4.481 -3.856 8.883 326 HB3 GLU 45 HB1 GLU 45 3.441 -3.780 10.302 327 HG2 GLU 45 HG2 GLU 45 3.489 -6.237 10.445 328 HG3 GLU 45 HG1 GLU 45 4.577 -6.278 9.064 329 H VAL 46 HN VAL 46 3.491 -3.099 6.609 330 HA VAL 46 HA VAL 46 2.030 -0.756 7.086 331 HB VAL 46 HB VAL 46 4.122 -0.766 5.678 332 HG11 VAL 46 HG11 VAL 46 2.244 -1.722 3.627 333 HG12 VAL 46 HG12 VAL 46 3.566 -2.632 4.365 334 HG13 VAL 46 HG13 VAL 46 3.925 -1.225 3.317 335 HG21 VAL 46 HG21 VAL 46 2.748 1.229 5.706 336 HG22 VAL 46 HG22 VAL 46 1.729 0.570 4.428 337 HG23 VAL 46 HG23 VAL 46 3.407 0.970 4.092 338 H VAL 47 HN VAL 47 1.151 -3.590 5.278 339 HA VAL 47 HA VAL 47 -1.097 -2.558 3.924 340 HB VAL 47 HB VAL 47 -0.810 -5.362 5.069 341 HG11 VAL 47 HG11 VAL 47 -2.535 -4.302 2.835 342 HG12 VAL 47 HG12 VAL 47 -3.091 -4.810 4.430 343 HG13 VAL 47 HG13 VAL 47 -2.401 -5.992 3.317 344 HG21 VAL 47 HG21 VAL 47 -0.033 -6.013 2.854 345 HG22 VAL 47 HG22 VAL 47 1.048 -4.834 3.597 346 HG23 VAL 47 HG23 VAL 47 -0.082 -4.328 2.340 347 H VAL 48 HN VAL 48 -0.923 -4.342 6.985 348 HA VAL 48 HA VAL 48 -3.558 -4.228 7.766 349 HB VAL 48 HB VAL 48 -1.120 -4.153 9.576 350 HG11 VAL 48 HG11 VAL 48 -3.148 -3.563 10.810 351 HG12 VAL 48 HG12 VAL 48 -2.561 -5.159 11.278 352 HG13 VAL 48 HG13 VAL 48 -3.949 -5.010 10.199 353 HG21 VAL 48 HG21 VAL 48 -1.098 -6.014 8.025 354 HG22 VAL 48 HG22 VAL 48 -2.743 -6.444 8.501 355 HG23 VAL 48 HG23 VAL 48 -1.423 -6.586 9.666 356 H ALA 49 HN ALA 49 -1.141 -1.748 8.253 357 HA ALA 49 HA ALA 49 -2.979 -0.139 9.799 358 HB1 ALA 49 HB1 ALA 49 -0.245 0.590 8.782 359 HB2 ALA 49 HB2 ALA 49 -0.620 -0.109 10.367 360 HB3 ALA 49 HB3 ALA 49 -1.224 1.494 9.939 361 H ALA 50 HN ALA 50 -1.869 -0.362 6.508 362 HA ALA 50 HA ALA 50 -2.966 2.097 5.648 363 HB1 ALA 50 HB1 ALA 50 -1.306 0.877 4.304 364 HB2 ALA 50 HB2 ALA 50 -2.784 1.157 3.384 365 HB3 ALA 50 HB3 ALA 50 -2.460 -0.437 4.071 366 H GLU 51 HN GLU 51 -4.166 -1.198 5.973 367 HA GLU 51 HA GLU 51 -6.674 -1.006 4.844 368 HB2 GLU 51 HB2 GLU 51 -5.973 -2.398 7.435 369 HB3 GLU 51 HB1 GLU 51 -7.419 -2.680 6.487 370 HG2 GLU 51 HG2 GLU 51 -6.043 -3.537 4.667 371 HG3 GLU 51 HG1 GLU 51 -4.598 -3.263 5.646 372 H GLU 52 HN GLU 52 -5.558 -0.214 8.021 373 HA GLU 52 HA GLU 52 -7.972 0.589 9.174 374 HB2 GLU 52 HB2 GLU 52 -5.654 -0.002 10.203 375 HB3 GLU 52 HB1 GLU 52 -5.346 1.721 10.044 376 HG2 GLU 52 HG2 GLU 52 -6.143 1.224 12.253 377 HG3 GLU 52 HG1 GLU 52 -7.354 2.176 11.382 378 H ARG 53 HN ARG 53 -5.742 2.184 7.130 379 HA ARG 53 HA ARG 53 -6.570 4.887 7.779 380 HB2 ARG 53 HB2 ARG 53 -4.196 4.271 7.343 381 HB3 ARG 53 HB1 ARG 53 -4.630 3.876 5.694 382 HG2 ARG 53 HG2 ARG 53 -3.542 6.038 5.815 383 HG3 ARG 53 HG1 ARG 53 -5.217 6.220 5.295 384 HD2 ARG 53 HD2 ARG 53 -5.887 6.996 7.439 385 HD3 ARG 53 HD1 ARG 53 -4.344 6.541 8.158 386 HE ARG 53 HE ARG 53 -3.414 8.307 6.546 387 HH11 ARG 53 HH11 ARG 53 -6.681 8.643 7.928 388 HH12 ARG 53 HH12 ARG 53 -6.502 10.317 8.141 389 HH21 ARG 53 HH21 ARG 53 -3.251 10.481 6.838 390 HH22 ARG 53 HH22 ARG 53 -4.527 11.450 7.480 391 H PHE 54 HN PHE 54 -7.140 2.456 5.318 392 HA PHE 54 HA PHE 54 -8.520 4.431 3.601 393 HB2 PHE 54 HB2 PHE 54 -7.842 1.566 2.936 394 HB3 PHE 54 HB1 PHE 54 -8.416 2.806 1.830 395 HD1 PHE 54 HD1 PHE 54 -6.748 5.064 2.674 396 HD2 PHE 54 HD2 PHE 54 -5.787 0.979 2.050 397 HE1 PHE 54 HE1 PHE 54 -4.418 5.694 2.101 398 HE2 PHE 54 HE2 PHE 54 -3.483 1.575 1.499 399 HZ PHE 54 HZ PHE 54 -2.743 3.899 1.670 400 H ASP 55 HN ASP 55 -9.195 2.288 5.980 401 HA ASP 55 HA ASP 55 -10.997 1.264 6.820 402 HB2 ASP 55 HB2 ASP 55 -12.232 3.368 6.242 403 HB3 ASP 55 HB1 ASP 55 -12.575 2.714 4.647 404 H VAL 56 HN VAL 56 -9.375 0.220 4.623 405 HA VAL 56 HA VAL 56 -11.290 -1.558 3.304 406 HB VAL 56 HB VAL 56 -9.580 -0.197 1.920 407 HG11 VAL 56 HG11 VAL 56 -7.378 -1.170 1.530 408 HG12 VAL 56 HG12 VAL 56 -7.649 -2.288 2.842 409 HG13 VAL 56 HG13 VAL 56 -7.562 -0.550 3.179 410 HG21 VAL 56 HG21 VAL 56 -9.750 -3.172 1.445 411 HG22 VAL 56 HG22 VAL 56 -9.230 -1.984 0.250 412 HG23 VAL 56 HG23 VAL 56 -10.881 -1.944 0.873 413 H LYS 57 HN LYS 57 -9.826 -3.685 2.753 414 HA LYS 57 HA LYS 57 -8.415 -4.728 5.020 415 HB2 LYS 57 HB2 LYS 57 -11.059 -5.897 4.124 416 HB3 LYS 57 HB1 LYS 57 -9.855 -6.846 4.979 417 HG2 LYS 57 HG2 LYS 57 -11.346 -4.441 6.013 418 HG3 LYS 57 HG1 LYS 57 -11.539 -6.122 6.523 419 HD2 LYS 57 HD2 LYS 57 -9.151 -6.093 7.263 420 HD3 LYS 57 HD1 LYS 57 -9.115 -4.369 6.886 421 HE2 LYS 57 HE2 LYS 57 -10.986 -4.042 8.469 422 HE3 LYS 57 HE1 LYS 57 -10.861 -5.744 8.910 423 HZ1 LYS 57 HZ1 LYS 57 -8.443 -5.186 9.472 424 HZ2 LYS 57 HZ2 LYS 57 -9.657 -4.668 10.495 425 HZ3 LYS 57 HZ3 LYS 57 -8.952 -3.559 9.425 426 H ILE 58 HN ILE 58 -6.797 -5.742 4.203 427 HA ILE 58 HA ILE 58 -7.085 -7.257 1.725 428 HB ILE 58 HB ILE 58 -4.651 -5.456 1.984 429 HG12 ILE 58 HG12 ILE 58 -7.145 -4.715 0.437 430 HG13 ILE 58 HG11 ILE 58 -6.699 -3.971 1.973 431 HG21 ILE 58 HG21 ILE 58 -4.683 -7.359 0.372 432 HG22 ILE 58 HG22 ILE 58 -4.591 -5.788 -0.448 433 HG23 ILE 58 HG23 ILE 58 -6.126 -6.639 -0.359 434 HD11 ILE 58 HD11 ILE 58 -5.125 -3.874 -0.590 435 HD12 ILE 58 HD12 ILE 58 -4.642 -3.137 0.939 436 HD13 ILE 58 HD13 ILE 58 -6.086 -2.565 0.099 437 HA PRO 59 HA PRO 59 -4.710 -9.641 4.863 438 HB2 PRO 59 HB2 PRO 59 -5.468 -11.833 3.008 439 HB3 PRO 59 HB1 PRO 59 -5.704 -11.712 4.753 440 HG2 PRO 59 HG2 PRO 59 -7.761 -11.487 3.074 441 HG3 PRO 59 HG1 PRO 59 -7.661 -10.495 4.542 442 HD2 PRO 59 HD2 PRO 59 -7.054 -9.748 1.707 443 HD3 PRO 59 HD1 PRO 59 -7.908 -8.818 2.958 444 H ASP 60 HN ASP 60 -2.742 -11.061 4.581 445 HA ASP 60 HA ASP 60 -1.029 -10.023 2.597 446 HB2 ASP 60 HB2 ASP 60 0.679 -11.626 3.253 447 HB3 ASP 60 HB1 ASP 60 -0.052 -10.891 4.673 448 H ASP 61 HN ASP 61 -3.006 -12.838 2.614 449 HA ASP 61 HA ASP 61 -2.016 -14.110 0.272 450 HB2 ASP 61 HB2 ASP 61 -3.509 -15.256 1.835 451 HB3 ASP 61 HB1 ASP 61 -4.777 -14.082 1.518 452 H ASP 62 HN ASP 62 -4.069 -11.389 0.790 453 HA ASP 62 HA ASP 62 -5.020 -11.369 -1.955 454 HB2 ASP 62 HB2 ASP 62 -6.425 -10.723 0.115 455 HB3 ASP 62 HB1 ASP 62 -5.442 -9.262 0.138 456 H VAL 63 HN VAL 63 -2.907 -9.486 0.185 457 HA VAL 63 HA VAL 63 -2.438 -7.322 -1.508 458 HB VAL 63 HB VAL 63 -1.976 -7.362 0.948 459 HG11 VAL 63 HG11 VAL 63 0.586 -8.725 0.184 460 HG12 VAL 63 HG12 VAL 63 -0.770 -9.471 1.007 461 HG13 VAL 63 HG13 VAL 63 0.129 -8.163 1.798 462 HG21 VAL 63 HG21 VAL 63 -1.195 -5.517 -0.399 463 HG22 VAL 63 HG22 VAL 63 0.278 -6.401 -0.790 464 HG23 VAL 63 HG23 VAL 63 -0.026 -5.886 0.868 465 H LYS 64 HN LYS 64 -1.104 -10.458 -1.691 466 HA LYS 64 HA LYS 64 1.391 -9.906 -2.802 467 HB2 LYS 64 HB2 LYS 64 1.461 -12.223 -3.515 468 HB3 LYS 64 HB1 LYS 64 0.797 -12.088 -1.901 469 HG2 LYS 64 HG2 LYS 64 -1.481 -12.310 -2.908 470 HG3 LYS 64 HG1 LYS 64 -0.691 -12.653 -4.452 471 HD2 LYS 64 HD2 LYS 64 0.505 -14.532 -3.383 472 HD3 LYS 64 HD1 LYS 64 -0.367 -14.204 -1.887 473 HE2 LYS 64 HE2 LYS 64 -1.496 -15.994 -2.949 474 HE3 LYS 64 HE1 LYS 64 -2.494 -14.563 -3.180 475 HZ1 LYS 64 HZ1 LYS 64 -0.718 -15.863 -5.154 476 HZ2 LYS 64 HZ2 LYS 64 -1.467 -14.388 -5.476 477 HZ3 LYS 64 HZ3 LYS 64 -2.383 -15.778 -5.220 478 H ASN 65 HN ASN 65 -1.566 -9.207 -4.174 479 HA ASN 65 HA ASN 65 -0.779 -9.728 -6.936 480 HB2 ASN 65 HB2 ASN 65 -3.382 -8.739 -5.754 481 HB3 ASN 65 HB1 ASN 65 -3.078 -8.922 -7.473 482 HD21 ASN 65 HD21 ASN 65 -3.833 -10.511 -4.514 483 HD22 ASN 65 HD22 ASN 65 -4.055 -12.091 -5.183 484 H LEU 66 HN LEU 66 -0.135 -7.386 -4.773 485 HA LEU 66 HA LEU 66 -0.865 -5.126 -6.408 486 HB2 LEU 66 HB2 LEU 66 0.672 -5.260 -3.834 487 HB3 LEU 66 HB1 LEU 66 0.190 -3.770 -4.595 488 HG LEU 66 HG LEU 66 -1.550 -5.857 -3.311 489 HD11 LEU 66 HD11 LEU 66 -0.530 -4.283 -1.830 490 HD12 LEU 66 HD12 LEU 66 -2.270 -4.015 -1.933 491 HD13 LEU 66 HD13 LEU 66 -1.157 -2.934 -2.782 492 HD21 LEU 66 HD21 LEU 66 -2.465 -3.468 -4.899 493 HD22 LEU 66 HD22 LEU 66 -3.478 -4.574 -3.952 494 HD23 LEU 66 HD23 LEU 66 -2.626 -5.163 -5.371 495 H LYS 67 HN LYS 67 0.576 -3.605 -7.217 496 HA LYS 67 HA LYS 67 3.307 -4.567 -7.666 497 HB2 LYS 67 HB2 LYS 67 1.973 -4.933 -9.686 498 HB3 LYS 67 HB1 LYS 67 1.447 -3.263 -9.682 499 HG2 LYS 67 HG2 LYS 67 4.007 -2.763 -9.821 500 HG3 LYS 67 HG1 LYS 67 4.097 -4.430 -10.392 501 HD2 LYS 67 HD2 LYS 67 2.424 -2.215 -11.557 502 HD3 LYS 67 HD1 LYS 67 3.893 -2.885 -12.265 503 HE2 LYS 67 HE2 LYS 67 2.775 -5.059 -12.500 504 HE3 LYS 67 HE1 LYS 67 1.313 -4.379 -11.791 505 HZ1 LYS 67 HZ1 LYS 67 2.558 -3.592 -14.376 506 HZ2 LYS 67 HZ2 LYS 67 1.292 -2.768 -13.648 507 HZ3 LYS 67 HZ3 LYS 67 1.067 -4.367 -14.143 508 H THR 68 HN THR 68 1.549 -1.638 -8.731 509 HA THR 68 HA THR 68 3.415 -0.062 -7.124 510 HB THR 68 HB THR 68 2.836 1.831 -8.618 511 HG1 THR 68 HG1 THR 68 1.232 -0.109 -10.007 512 HG21 THR 68 HG21 THR 68 4.738 0.436 -9.251 513 HG22 THR 68 HG22 THR 68 3.901 1.034 -10.687 514 HG23 THR 68 HG23 THR 68 3.668 -0.632 -10.159 515 H VAL 69 HN VAL 69 2.071 2.245 -6.701 516 HA VAL 69 HA VAL 69 -0.188 1.198 -5.315 517 HB VAL 69 HB VAL 69 -0.526 3.177 -4.095 518 HG11 VAL 69 HG11 VAL 69 1.206 1.872 -3.269 519 HG12 VAL 69 HG12 VAL 69 1.582 3.576 -2.997 520 HG13 VAL 69 HG13 VAL 69 2.400 2.680 -4.288 521 HG21 VAL 69 HG21 VAL 69 -0.318 4.843 -5.748 522 HG22 VAL 69 HG22 VAL 69 1.419 4.562 -5.887 523 HG23 VAL 69 HG23 VAL 69 0.744 5.235 -4.401 524 H GLY 70 HN GLY 70 0.315 2.441 -8.319 525 HA2 GLY 70 HA2 GLY 70 -2.188 3.685 -8.761 526 HA3 GLY 70 HA1 GLY 70 -1.176 2.921 -9.991 527 H ASP 71 HN ASP 71 -0.949 0.450 -9.214 528 HA ASP 71 HA ASP 71 -3.320 -0.912 -9.893 529 HB2 ASP 71 HB2 ASP 71 -0.992 -1.988 -8.277 530 HB3 ASP 71 HB1 ASP 71 -2.144 -2.954 -9.165 531 H ALA 72 HN ALA 72 -1.641 -0.361 -6.849 532 HA ALA 72 HA ALA 72 -3.313 -1.760 -5.144 533 HB1 ALA 72 HB1 ALA 72 -2.356 -0.503 -3.322 534 HB2 ALA 72 HB2 ALA 72 -1.755 0.714 -4.446 535 HB3 ALA 72 HB3 ALA 72 -1.107 -0.928 -4.496 536 H THR 73 HN THR 73 -3.513 1.670 -6.077 537 HA THR 73 HA THR 73 -5.531 2.478 -4.406 538 HB THR 73 HB THR 73 -5.133 3.324 -7.306 539 HG1 THR 73 HG1 THR 73 -3.300 3.664 -5.888 540 HG21 THR 73 HG21 THR 73 -6.285 5.363 -6.710 541 HG22 THR 73 HG22 THR 73 -6.461 4.822 -5.055 542 HG23 THR 73 HG23 THR 73 -7.347 3.992 -6.348 543 H LYS 74 HN LYS 74 -5.861 1.108 -7.667 544 HA LYS 74 HA LYS 74 -8.692 1.151 -7.779 545 HB2 LYS 74 HB2 LYS 74 -6.869 -0.721 -9.290 546 HB3 LYS 74 HB1 LYS 74 -8.477 -0.196 -9.754 547 HG2 LYS 74 HG2 LYS 74 -5.931 1.404 -9.764 548 HG3 LYS 74 HG1 LYS 74 -6.920 0.926 -11.139 549 HD2 LYS 74 HD2 LYS 74 -8.764 2.345 -10.172 550 HD3 LYS 74 HD1 LYS 74 -7.582 2.920 -8.986 551 HE2 LYS 74 HE2 LYS 74 -7.441 3.226 -11.987 552 HE3 LYS 74 HE1 LYS 74 -7.728 4.500 -10.810 553 HZ1 LYS 74 HZ1 LYS 74 -5.459 4.499 -11.613 554 HZ2 LYS 74 HZ2 LYS 74 -5.185 2.950 -11.098 555 HZ3 LYS 74 HZ3 LYS 74 -5.483 4.200 -9.970 556 H TYR 75 HN TYR 75 -6.333 -1.163 -6.780 557 HA TYR 75 HA TYR 75 -7.907 -3.491 -6.591 558 HB2 TYR 75 HB2 TYR 75 -5.376 -3.247 -6.632 559 HB3 TYR 75 HB1 TYR 75 -5.496 -2.774 -4.950 560 HD1 TYR 75 HD2 TYR 75 -6.120 -4.333 -3.271 561 HD2 TYR 75 HD1 TYR 75 -5.691 -5.561 -7.307 562 HE1 TYR 75 HE2 TYR 75 -6.090 -6.646 -2.539 563 HE2 TYR 75 HE1 TYR 75 -5.655 -7.877 -6.640 564 HH TYR 75 HH TYR 75 -5.224 -9.277 -4.514 565 H ILE 76 HN ILE 76 -6.748 -1.166 -4.223 566 HA ILE 76 HA ILE 76 -8.111 -2.094 -1.949 567 HB ILE 76 HB ILE 76 -7.191 0.697 -2.712 568 HG12 ILE 76 HG12 ILE 76 -5.918 -1.395 -0.932 569 HG13 ILE 76 HG11 ILE 76 -5.419 -0.997 -2.563 570 HG21 ILE 76 HG21 ILE 76 -8.064 -0.320 -0.004 571 HG22 ILE 76 HG22 ILE 76 -8.931 0.842 -1.003 572 HG23 ILE 76 HG23 ILE 76 -7.355 1.261 -0.329 573 HD11 ILE 76 HD11 ILE 76 -4.811 1.248 -1.844 574 HD12 ILE 76 HD12 ILE 76 -3.955 0.013 -0.917 575 HD13 ILE 76 HD13 ILE 76 -5.324 0.863 -0.203 576 H LEU 77 HN LEU 77 -8.991 0.452 -4.259 577 HA LEU 77 HA LEU 77 -11.350 1.075 -3.055 578 HB2 LEU 77 HB2 LEU 77 -10.627 1.294 -5.968 579 HB3 LEU 77 HB1 LEU 77 -12.090 1.985 -5.293 580 HG LEU 77 HG LEU 77 -9.263 2.737 -4.563 581 HD11 LEU 77 HD11 LEU 77 -9.813 4.874 -5.605 582 HD12 LEU 77 HD12 LEU 77 -11.393 4.240 -6.071 583 HD13 LEU 77 HD13 LEU 77 -9.920 3.542 -6.753 584 HD21 LEU 77 HD21 LEU 77 -11.887 3.856 -3.585 585 HD22 LEU 77 HD22 LEU 77 -10.290 4.509 -3.223 586 HD23 LEU 77 HD23 LEU 77 -10.741 2.908 -2.638 587 H ASP 78 HN ASP 78 -10.688 -1.488 -5.359 588 HA ASP 78 HA ASP 78 -13.448 -2.229 -5.717 589 HB2 ASP 78 HB2 ASP 78 -11.881 -2.659 -7.508 590 HB3 ASP 78 HB1 ASP 78 -10.881 -3.644 -6.447 591 H HIS 79 HN HIS 79 -10.856 -3.144 -3.617 592 HA HIS 79 HA HIS 79 -12.309 -5.421 -2.551 593 HB2 HIS 79 HB2 HIS 79 -9.500 -4.424 -2.086 594 HB3 HIS 79 HB1 HIS 79 -10.217 -5.683 -1.074 595 HD1 HIS 79 HD1 HIS 79 -8.658 -7.645 -2.030 596 HD2 HIS 79 HD2 HIS 79 -10.856 -5.636 -4.943 597 HE1 HIS 79 HE1 HIS 79 -8.580 -9.065 -4.039 598 HE2 HIS 79 HE2 HIS 79 -10.313 -8.054 -5.509 599 H GLN 80 HN GLN 80 -12.605 -2.332 -2.173 600 HA GLN 80 HA GLN 80 -12.968 -1.945 0.643 601 HB2 GLN 80 HB2 GLN 80 -13.965 -0.507 -1.809 602 HB3 GLN 80 HB1 GLN 80 -14.367 0.048 -0.172 603 HG2 GLN 80 HG2 GLN 80 -11.589 -0.286 -1.190 604 HG3 GLN 80 HG1 GLN 80 -12.524 1.190 -1.408 605 HE21 GLN 80 HE21 GLN 80 -10.998 2.271 -0.227 606 HE22 GLN 80 HE22 GLN 80 -10.949 2.115 1.513 607 H ALA 81 HN ALA 81 -15.305 -1.194 1.300 608 HA ALA 81 HA ALA 81 -17.411 -1.673 1.814 609 HB1 ALA 81 HB1 ALA 81 -17.607 -2.958 -0.923 610 HB2 ALA 81 HB2 ALA 81 -17.905 -1.256 -0.575 611 HB3 ALA 81 HB3 ALA 81 -18.962 -2.492 0.104 612 H2 SOO 101 H2A SOO 101 3.954 -5.878 -0.363 613 H3 SOO 101 H3A SOO 101 2.070 -3.761 -1.638 614 H4 SOO 101 H4A SOO 101 2.216 -4.559 1.185 615 H4A SOO 101 H4B SOO 101 3.653 -3.596 0.850 616 H5 SOO 101 H5A SOO 101 2.197 -1.759 0.079 617 H5A SOO 101 H5B SOO 101 1.938 -2.182 1.768 618 H6 SOO 101 H6A SOO 101 -0.027 -3.516 1.115 619 H6A SOO 101 H6B SOO 101 0.198 -2.987 -0.554 620 H7 SOO 101 H7A SOO 101 -0.118 -0.660 0.121 621 H7A SOO 101 H7B SOO 101 -0.309 -1.172 1.809 622 H8 SOO 101 H8C SOO 101 -2.070 -1.973 -0.506 623 H8A SOO 101 H8A SOO 101 -2.474 -0.786 0.734 624 H8B SOO 101 H8B SOO 101 -2.270 -2.482 1.170 625 H28 SOO 101 H28A SOO 101 10.482 -11.813 2.540 626 H28A SOO 101 H28B SOO 101 9.436 -10.410 2.299 627 H30 SOO 101 H30A SOO 101 7.810 -10.351 0.484 628 H30A SOO 101 H30B SOO 101 7.721 -11.644 -0.714 629 H30B SOO 101 H30C SOO 101 9.124 -10.576 -0.670 630 H31 SOO 101 H31A SOO 101 10.416 -13.695 0.809 631 H31A SOO 101 H31B SOO 101 10.622 -12.526 -0.496 632 H31B SOO 101 H31C SOO 101 9.250 -13.633 -0.512 633 H32 SOO 101 H32A SOO 101 7.481 -13.549 1.102 634 HO33 SOO 101 H33A SOO 101 8.386 -13.134 3.589 635 HN36 SOO 101 H36A SOO 101 5.683 -12.047 0.914 636 H37 SOO 101 H37A SOO 101 4.701 -11.162 3.448 637 H37A SOO 101 H37B SOO 101 4.967 -9.864 2.312 638 H38 SOO 101 H38A SOO 101 3.168 -12.337 1.891 639 H38A SOO 101 H38B SOO 101 2.666 -10.748 2.443 640 HN41 SOO 101 H41A SOO 101 4.196 -9.245 0.771 641 H42 SOO 101 H42A SOO 101 3.651 -9.719 -2.009 642 H42A SOO 101 H42B SOO 101 2.637 -8.467 -1.282 643 H43 SOO 101 H43A SOO 101 5.663 -8.502 -1.276 644 H43A SOO 101 H43B SOO 101 4.616 -7.264 -0.554 Start of MODEL 16 1 H1 ALA 1 HT1 ALA 1 -15.578 3.746 2.387 2 H2 ALA 1 HT2 ALA 1 -14.947 5.218 2.975 3 H3 ALA 1 HT3 ALA 1 -13.915 3.935 2.667 4 HA ALA 1 HA ALA 1 -14.375 4.050 0.327 5 HB1 ALA 1 HB1 ALA 1 -16.617 5.027 0.474 6 HB2 ALA 1 HB2 ALA 1 -15.563 6.018 -0.534 7 HB3 ALA 1 HB3 ALA 1 -15.931 6.519 1.117 8 H ALA 2 HN ALA 2 -13.110 5.608 -1.026 9 HA ALA 2 HA ALA 2 -11.651 7.684 0.272 10 HB1 ALA 2 HB1 ALA 2 -10.178 5.133 -0.441 11 HB2 ALA 2 HB2 ALA 2 -10.444 5.740 1.193 12 HB3 ALA 2 HB3 ALA 2 -9.428 6.647 0.071 13 H THR 3 HN THR 3 -9.636 8.088 -1.360 14 HA THR 3 HA THR 3 -10.587 7.749 -4.100 15 HB THR 3 HB THR 3 -9.582 10.060 -4.485 16 HG1 THR 3 HG1 THR 3 -9.660 11.349 -2.452 17 HG21 THR 3 HG21 THR 3 -11.993 9.905 -2.658 18 HG22 THR 3 HG22 THR 3 -12.019 9.720 -4.412 19 HG23 THR 3 HG23 THR 3 -11.576 11.271 -3.695 20 H GLN 4 HN GLN 4 -8.497 8.618 -5.547 21 HA GLN 4 HA GLN 4 -6.337 6.915 -4.891 22 HB2 GLN 4 HB2 GLN 4 -6.798 7.260 -7.203 23 HB3 GLN 4 HB1 GLN 4 -6.874 8.993 -7.035 24 HG2 GLN 4 HG2 GLN 4 -4.294 7.481 -6.659 25 HG3 GLN 4 HG1 GLN 4 -4.871 7.924 -8.265 26 HE21 GLN 4 HE21 GLN 4 -2.457 8.815 -6.916 27 HE22 GLN 4 HE22 GLN 4 -2.584 10.527 -6.764 28 H GLU 5 HN GLU 5 -7.183 10.195 -4.525 29 HA GLU 5 HA GLU 5 -4.860 11.441 -3.646 30 HB2 GLU 5 HB2 GLU 5 -7.638 11.795 -2.508 31 HB3 GLU 5 HB1 GLU 5 -6.343 12.975 -2.496 32 HG2 GLU 5 HG2 GLU 5 -7.632 11.959 -5.021 33 HG3 GLU 5 HG1 GLU 5 -8.189 13.377 -4.140 34 H GLU 6 HN GLU 6 -7.458 9.996 -1.669 35 HA GLU 6 HA GLU 6 -6.076 10.142 0.759 36 HB2 GLU 6 HB2 GLU 6 -8.491 8.578 -0.056 37 HB3 GLU 6 HB1 GLU 6 -7.803 8.430 1.555 38 HG2 GLU 6 HG2 GLU 6 -8.852 10.931 0.270 39 HG3 GLU 6 HG1 GLU 6 -9.610 10.010 1.573 40 H ILE 7 HN ILE 7 -6.221 7.540 -1.584 41 HA ILE 7 HA ILE 7 -4.991 5.659 0.134 42 HB ILE 7 HB ILE 7 -5.245 5.711 -2.886 43 HG12 ILE 7 HG12 ILE 7 -6.656 4.120 -0.731 44 HG13 ILE 7 HG11 ILE 7 -7.326 5.484 -1.613 45 HG21 ILE 7 HG21 ILE 7 -4.217 3.456 -1.132 46 HG22 ILE 7 HG22 ILE 7 -3.254 4.396 -2.273 47 HG23 ILE 7 HG23 ILE 7 -4.543 3.347 -2.863 48 HD11 ILE 7 HD11 ILE 7 -6.517 2.849 -2.794 49 HD12 ILE 7 HD12 ILE 7 -7.205 4.212 -3.678 50 HD13 ILE 7 HD13 ILE 7 -8.163 3.378 -2.452 51 H VAL 8 HN VAL 8 -3.648 7.417 -2.653 52 HA VAL 8 HA VAL 8 -1.025 6.578 -2.274 53 HB VAL 8 HB VAL 8 -2.213 8.958 -3.717 54 HG11 VAL 8 HG11 VAL 8 0.136 9.467 -3.155 55 HG12 VAL 8 HG12 VAL 8 -0.080 9.183 -4.883 56 HG13 VAL 8 HG13 VAL 8 0.630 7.929 -3.864 57 HG21 VAL 8 HG21 VAL 8 -1.621 7.533 -5.680 58 HG22 VAL 8 HG22 VAL 8 -2.856 6.861 -4.618 59 HG23 VAL 8 HG23 VAL 8 -1.204 6.256 -4.543 60 H ALA 9 HN ALA 9 -2.436 9.750 -1.372 61 HA ALA 9 HA ALA 9 -0.068 10.662 -0.117 62 HB1 ALA 9 HB1 ALA 9 -1.432 12.477 0.776 63 HB2 ALA 9 HB2 ALA 9 -2.901 11.600 0.337 64 HB3 ALA 9 HB3 ALA 9 -1.819 12.188 -0.922 65 H GLY 10 HN GLY 10 -2.880 8.944 1.086 66 HA2 GLY 10 HA2 GLY 10 -2.229 9.214 3.848 67 HA3 GLY 10 HA1 GLY 10 -3.390 8.092 3.151 68 H LEU 11 HN LEU 11 -1.636 6.715 1.407 69 HA LEU 11 HA LEU 11 -0.687 4.627 2.897 70 HB2 LEU 11 HB2 LEU 11 -0.728 5.436 0.204 71 HB3 LEU 11 HB1 LEU 11 0.927 4.979 0.540 72 HG LEU 11 HG LEU 11 -1.516 3.238 0.955 73 HD11 LEU 11 HD11 LEU 11 -0.650 1.952 -0.931 74 HD12 LEU 11 HD12 LEU 11 0.635 3.139 -1.151 75 HD13 LEU 11 HD13 LEU 11 -1.049 3.604 -1.396 76 HD21 LEU 11 HD21 LEU 11 0.100 1.445 1.341 77 HD22 LEU 11 HD22 LEU 11 0.257 2.730 2.540 78 HD23 LEU 11 HD23 LEU 11 1.418 2.610 1.219 79 H ALA 12 HN ALA 12 0.983 7.462 1.745 80 HA ALA 12 HA ALA 12 3.578 6.745 2.387 81 HB1 ALA 12 HB1 ALA 12 2.985 8.598 0.945 82 HB2 ALA 12 HB2 ALA 12 4.130 9.052 2.215 83 HB3 ALA 12 HB3 ALA 12 2.428 9.513 2.354 84 H GLU 13 HN GLU 13 1.069 8.036 4.467 85 HA GLU 13 HA GLU 13 2.678 8.787 6.662 86 HB2 GLU 13 HB2 GLU 13 -0.167 7.793 6.492 87 HB3 GLU 13 HB1 GLU 13 0.571 8.305 8.000 88 HG2 GLU 13 HG2 GLU 13 0.345 10.058 5.573 89 HG3 GLU 13 HG1 GLU 13 -0.846 10.013 6.879 90 H ILE 14 HN ILE 14 1.015 5.814 5.890 91 HA ILE 14 HA ILE 14 1.909 4.313 8.126 92 HB ILE 14 HB ILE 14 0.868 3.368 5.423 93 HG12 ILE 14 HG12 ILE 14 -1.182 2.715 6.795 94 HG13 ILE 14 HG11 ILE 14 -0.506 3.663 8.104 95 HG21 ILE 14 HG21 ILE 14 2.220 1.641 6.397 96 HG22 ILE 14 HG22 ILE 14 0.515 1.189 6.472 97 HG23 ILE 14 HG23 ILE 14 1.338 1.767 7.917 98 HD11 ILE 14 HD11 ILE 14 -1.334 4.694 5.405 99 HD12 ILE 14 HD12 ILE 14 -0.640 5.662 6.704 100 HD13 ILE 14 HD13 ILE 14 -2.214 4.892 6.922 101 H VAL 15 HN VAL 15 2.927 4.500 4.766 102 HA VAL 15 HA VAL 15 5.016 2.678 4.825 103 HB VAL 15 HB VAL 15 4.649 5.162 3.124 104 HG11 VAL 15 HG11 VAL 15 7.008 4.614 3.216 105 HG12 VAL 15 HG12 VAL 15 6.343 4.224 1.630 106 HG13 VAL 15 HG13 VAL 15 6.659 2.937 2.801 107 HG21 VAL 15 HG21 VAL 15 4.248 2.228 2.553 108 HG22 VAL 15 HG22 VAL 15 4.027 3.543 1.400 109 HG23 VAL 15 HG23 VAL 15 2.975 3.422 2.810 110 H ASN 16 HN ASN 16 5.035 6.121 5.592 111 HA ASN 16 HA ASN 16 7.803 6.356 5.942 112 HB2 ASN 16 HB2 ASN 16 6.265 8.232 5.538 113 HB3 ASN 16 HB1 ASN 16 5.624 8.029 7.163 114 HD21 ASN 16 HD21 ASN 16 8.370 8.901 5.274 115 HD22 ASN 16 HD22 ASN 16 9.171 9.830 6.494 116 H GLU 17 HN GLU 17 5.261 5.413 8.204 117 HA GLU 17 HA GLU 17 7.133 5.545 10.388 118 HB2 GLU 17 HB2 GLU 17 5.281 4.633 11.787 119 HB3 GLU 17 HB1 GLU 17 4.871 6.115 10.939 120 HG2 GLU 17 HG2 GLU 17 3.646 4.817 9.278 121 HG3 GLU 17 HG1 GLU 17 4.090 3.339 10.123 122 H ILE 18 HN ILE 18 5.808 3.017 8.374 123 HA ILE 18 HA ILE 18 7.051 0.944 9.971 124 HB ILE 18 HB ILE 18 5.456 0.793 7.403 125 HG12 ILE 18 HG12 ILE 18 4.829 0.147 10.292 126 HG13 ILE 18 HG11 ILE 18 4.241 1.526 9.380 127 HG21 ILE 18 HG21 ILE 18 7.052 -1.093 7.540 128 HG22 ILE 18 HG22 ILE 18 5.396 -1.640 7.784 129 HG23 ILE 18 HG23 ILE 18 6.477 -1.456 9.166 130 HD11 ILE 18 HD11 ILE 18 2.998 0.044 7.930 131 HD12 ILE 18 HD12 ILE 18 2.553 -0.180 9.624 132 HD13 ILE 18 HD13 ILE 18 3.610 -1.346 8.823 133 H ALA 19 HN ALA 19 7.524 2.169 6.644 134 HA ALA 19 HA ALA 19 9.981 0.581 6.495 135 HB1 ALA 19 HB1 ALA 19 8.585 2.169 4.352 136 HB2 ALA 19 HB2 ALA 19 8.419 0.434 4.620 137 HB3 ALA 19 HB3 ALA 19 9.973 1.105 4.124 138 H GLY 20 HN GLY 20 8.883 3.845 6.752 139 HA2 GLY 20 HA2 GLY 20 10.150 5.709 7.339 140 HA3 GLY 20 HA1 GLY 20 11.607 4.735 7.180 141 H ILE 21 HN ILE 21 9.202 4.943 4.713 142 HA ILE 21 HA ILE 21 11.160 6.068 2.874 143 HB ILE 21 HB ILE 21 8.412 4.849 2.467 144 HG12 ILE 21 HG12 ILE 21 10.053 3.183 3.061 145 HG13 ILE 21 HG11 ILE 21 9.617 2.991 1.369 146 HG21 ILE 21 HG21 ILE 21 8.806 4.863 0.058 147 HG22 ILE 21 HG22 ILE 21 10.276 5.806 0.314 148 HG23 ILE 21 HG23 ILE 21 8.706 6.488 0.739 149 HD11 ILE 21 HD11 ILE 21 12.121 4.295 2.415 150 HD12 ILE 21 HD12 ILE 21 11.696 4.092 0.714 151 HD13 ILE 21 HD13 ILE 21 12.001 2.678 1.720 152 HA PRO 22 HA PRO 22 9.775 10.317 3.085 153 HB2 PRO 22 HB2 PRO 22 9.777 9.980 0.109 154 HB3 PRO 22 HB1 PRO 22 10.405 11.315 1.084 155 HG2 PRO 22 HG2 PRO 22 12.058 9.490 0.108 156 HG3 PRO 22 HG1 PRO 22 12.282 10.121 1.750 157 HD2 PRO 22 HD2 PRO 22 11.285 7.472 0.865 158 HD3 PRO 22 HD1 PRO 22 12.148 7.919 2.349 159 H VAL 23 HN VAL 23 7.941 11.438 3.006 160 HA VAL 23 HA VAL 23 5.505 9.923 2.688 161 HB VAL 23 HB VAL 23 4.350 11.930 3.571 162 HG11 VAL 23 HG11 VAL 23 6.795 11.099 5.124 163 HG12 VAL 23 HG12 VAL 23 5.245 10.258 5.103 164 HG13 VAL 23 HG13 VAL 23 5.360 11.878 5.793 165 HG21 VAL 23 HG21 VAL 23 7.124 13.083 3.571 166 HG22 VAL 23 HG22 VAL 23 5.710 13.846 4.318 167 HG23 VAL 23 HG23 VAL 23 5.781 13.607 2.564 168 H GLU 24 HN GLU 24 7.151 11.228 0.387 169 HA GLU 24 HA GLU 24 4.782 11.935 -1.192 170 HB2 GLU 24 HB2 GLU 24 6.093 13.725 -2.305 171 HB3 GLU 24 HB1 GLU 24 5.804 14.052 -0.602 172 HG2 GLU 24 HG2 GLU 24 8.070 13.348 -0.062 173 HG3 GLU 24 HG1 GLU 24 8.364 12.960 -1.756 174 H ASP 25 HN ASP 25 6.863 9.708 -0.739 175 HA ASP 25 HA ASP 25 7.913 9.529 -3.466 176 HB2 ASP 25 HB2 ASP 25 9.572 9.485 -1.676 177 HB3 ASP 25 HB1 ASP 25 8.777 8.127 -0.919 178 H VAL 26 HN VAL 26 5.329 8.506 -1.690 179 HA VAL 26 HA VAL 26 5.274 5.839 -2.856 180 HB VAL 26 HB VAL 26 3.346 7.111 -0.871 181 HG11 VAL 26 HG11 VAL 26 2.657 4.816 -0.386 182 HG12 VAL 26 HG12 VAL 26 3.775 4.222 -1.614 183 HG13 VAL 26 HG13 VAL 26 2.400 5.227 -2.081 184 HG21 VAL 26 HG21 VAL 26 5.693 5.307 -0.295 185 HG22 VAL 26 HG22 VAL 26 4.488 5.832 0.883 186 HG23 VAL 26 HG23 VAL 26 5.560 7.014 0.130 187 H LYS 27 HN LYS 27 5.079 6.875 -4.902 188 HA LYS 27 HA LYS 27 2.557 8.298 -5.436 189 HB2 LYS 27 HB2 LYS 27 5.052 8.106 -7.132 190 HB3 LYS 27 HB1 LYS 27 3.618 9.064 -7.470 191 HG2 LYS 27 HG2 LYS 27 4.050 10.507 -5.623 192 HG3 LYS 27 HG1 LYS 27 5.385 9.486 -5.080 193 HD2 LYS 27 HD2 LYS 27 6.267 11.416 -6.247 194 HD3 LYS 27 HD1 LYS 27 6.572 9.963 -7.192 195 HE2 LYS 27 HE2 LYS 27 5.859 11.683 -8.694 196 HE3 LYS 27 HE1 LYS 27 4.546 10.518 -8.554 197 HZ1 LYS 27 HZ1 LYS 27 3.492 12.074 -6.924 198 HZ2 LYS 27 HZ2 LYS 27 3.665 12.713 -8.470 199 HZ3 LYS 27 HZ3 LYS 27 4.742 13.175 -7.267 200 H LEU 28 HN LEU 28 1.569 7.834 -7.581 201 HA LEU 28 HA LEU 28 0.621 5.307 -7.838 202 HB2 LEU 28 HB2 LEU 28 0.855 7.421 -9.956 203 HB3 LEU 28 HB1 LEU 28 -0.006 5.918 -10.209 204 HG LEU 28 HG LEU 28 -0.691 7.978 -8.103 205 HD11 LEU 28 HD11 LEU 28 -2.666 8.403 -9.461 206 HD12 LEU 28 HD12 LEU 28 -2.062 7.294 -10.693 207 HD13 LEU 28 HD13 LEU 28 -1.185 8.790 -10.343 208 HD21 LEU 28 HD21 LEU 28 -2.732 6.654 -7.819 209 HD22 LEU 28 HD22 LEU 28 -1.288 5.748 -7.396 210 HD23 LEU 28 HD23 LEU 28 -2.100 5.440 -8.934 211 H ASP 29 HN ASP 29 3.368 6.546 -9.764 212 HA ASP 29 HA ASP 29 3.676 3.834 -10.821 213 HB2 ASP 29 HB2 ASP 29 3.523 5.764 -12.417 214 HB3 ASP 29 HB1 ASP 29 5.023 6.382 -11.740 215 H LYS 30 HN LYS 30 4.308 3.874 -8.300 216 HA LYS 30 HA LYS 30 7.223 3.697 -8.280 217 HB2 LYS 30 HB2 LYS 30 5.410 4.655 -6.049 218 HB3 LYS 30 HB1 LYS 30 7.136 4.361 -5.885 219 HG2 LYS 30 HG2 LYS 30 6.080 6.301 -7.913 220 HG3 LYS 30 HG1 LYS 30 6.330 6.775 -6.235 221 HD2 LYS 30 HD2 LYS 30 8.490 5.511 -7.908 222 HD3 LYS 30 HD1 LYS 30 8.230 7.262 -7.844 223 HE2 LYS 30 HE2 LYS 30 8.447 7.189 -5.423 224 HE3 LYS 30 HE1 LYS 30 8.728 5.463 -5.497 225 HZ1 LYS 30 HZ1 LYS 30 10.679 6.935 -5.253 226 HZ2 LYS 30 HZ2 LYS 30 10.543 7.363 -6.894 227 HZ3 LYS 30 HZ3 LYS 30 10.773 5.726 -6.407 228 H SER 31 HN SER 31 7.569 1.643 -8.321 229 HA SER 31 HA SER 31 5.744 -0.354 -7.481 230 HB2 SER 31 HB2 SER 31 8.689 -0.623 -8.119 231 HB3 SER 31 HB1 SER 31 7.482 -1.910 -8.139 232 HG SER 31 HG SER 31 8.141 -0.217 -10.090 233 H PHE 32 HN PHE 32 5.777 -1.682 -5.691 234 HA PHE 32 HA PHE 32 6.898 -0.565 -3.356 235 HB2 PHE 32 HB2 PHE 32 5.385 -3.120 -3.764 236 HB3 PHE 32 HB1 PHE 32 6.095 -2.712 -2.205 237 HD1 PHE 32 HD2 PHE 32 3.616 -1.737 -4.722 238 HD2 PHE 32 HD1 PHE 32 5.155 -1.018 -0.831 239 HE1 PHE 32 HE2 PHE 32 1.638 -0.366 -4.201 240 HE2 PHE 32 HE1 PHE 32 3.189 0.350 -0.302 241 HZ PHE 32 HZ PHE 32 1.445 0.704 -1.984 242 H THR 33 HN THR 33 7.491 -4.044 -3.908 243 HA THR 33 HA THR 33 10.091 -3.390 -2.902 244 HB THR 33 HB THR 33 9.032 -5.294 -1.831 245 HG1 THR 33 HG1 THR 33 11.456 -5.236 -2.496 246 HG21 THR 33 HG21 THR 33 8.675 -7.432 -3.015 247 HG22 THR 33 HG22 THR 33 9.158 -6.626 -4.521 248 HG23 THR 33 HG23 THR 33 7.698 -6.107 -3.675 249 H ASP 34 HN ASP 34 10.611 -2.191 -4.681 250 HA ASP 34 HA ASP 34 12.341 -3.389 -6.525 251 HB2 ASP 34 HB2 ASP 34 10.278 -4.033 -7.731 252 HB3 ASP 34 HB1 ASP 34 9.755 -2.350 -7.739 253 H ASP 35 HN ASP 35 10.227 -0.638 -5.794 254 HA ASP 35 HA ASP 35 12.429 1.155 -6.565 255 HB2 ASP 35 HB2 ASP 35 10.296 1.436 -7.835 256 HB3 ASP 35 HB1 ASP 35 9.470 1.757 -6.321 257 H LEU 36 HN LEU 36 9.647 0.973 -4.378 258 HA LEU 36 HA LEU 36 10.715 2.823 -2.482 259 HB2 LEU 36 HB2 LEU 36 8.474 0.844 -2.085 260 HB3 LEU 36 HB1 LEU 36 8.762 2.310 -1.173 261 HG LEU 36 HG LEU 36 7.858 2.114 -4.038 262 HD11 LEU 36 HD11 LEU 36 6.447 3.081 -1.565 263 HD12 LEU 36 HD12 LEU 36 6.117 1.588 -2.449 264 HD13 LEU 36 HD13 LEU 36 5.810 3.149 -3.209 265 HD21 LEU 36 HD21 LEU 36 7.665 4.554 -3.948 266 HD22 LEU 36 HD22 LEU 36 9.327 3.991 -3.775 267 HD23 LEU 36 HD23 LEU 36 8.434 4.545 -2.356 268 H ASP 37 HN ASP 37 9.921 -0.574 -2.321 269 HA ASP 37 HA ASP 37 10.415 -2.280 -1.070 270 HB2 ASP 37 HB2 ASP 37 13.137 -1.001 -0.995 271 HB3 ASP 37 HB1 ASP 37 12.807 -2.542 -0.206 272 H VAL 38 HN VAL 38 9.250 -2.523 0.499 273 HA VAL 38 HA VAL 38 9.556 -0.828 2.875 274 HB VAL 38 HB VAL 38 7.311 -2.750 2.176 275 HG11 VAL 38 HG11 VAL 38 7.423 -0.467 4.150 276 HG12 VAL 38 HG12 VAL 38 7.438 -2.187 4.541 277 HG13 VAL 38 HG13 VAL 38 6.005 -1.461 3.814 278 HG21 VAL 38 HG21 VAL 38 7.423 0.225 1.676 279 HG22 VAL 38 HG22 VAL 38 5.997 -0.792 1.464 280 HG23 VAL 38 HG23 VAL 38 7.417 -1.042 0.450 281 H ASP 39 HN ASP 39 11.610 -2.406 2.697 282 HA ASP 39 HA ASP 39 12.870 -4.121 3.458 283 HB2 ASP 39 HB2 ASP 39 12.041 -2.903 5.585 284 HB3 ASP 39 HB1 ASP 39 10.935 -4.293 5.676 285 H SER 40 HN SER 40 10.637 -4.645 1.976 286 HA SER 40 HA SER 40 9.422 -6.194 0.869 287 HB2 SER 40 HB2 SER 40 10.199 -8.487 0.771 288 HB3 SER 40 HB1 SER 40 11.552 -7.368 0.614 289 H LEU 41 HN LEU 41 10.004 -7.830 3.898 290 HA LEU 41 HA LEU 41 7.393 -8.950 3.920 291 HB2 LEU 41 HB2 LEU 41 7.963 -9.802 6.177 292 HB3 LEU 41 HB1 LEU 41 9.114 -10.222 4.933 293 HG LEU 41 HG LEU 41 10.566 -8.327 5.820 294 HD11 LEU 41 HD11 LEU 41 8.695 -8.505 8.175 295 HD12 LEU 41 HD12 LEU 41 8.842 -7.156 7.060 296 HD13 LEU 41 HD13 LEU 41 10.206 -7.579 8.103 297 HD21 LEU 41 HD21 LEU 41 11.446 -9.695 7.650 298 HD22 LEU 41 HD22 LEU 41 11.063 -10.665 6.228 299 HD23 LEU 41 HD23 LEU 41 9.976 -10.669 7.618 300 H SER 42 HN SER 42 8.683 -6.005 5.221 301 HA SER 42 HA SER 42 6.643 -5.597 7.122 302 HB2 SER 42 HB2 SER 42 8.496 -3.577 5.842 303 HB3 SER 42 HB1 SER 42 7.537 -3.323 7.302 304 HG SER 42 HG SER 42 8.860 -4.466 8.412 305 H MET 43 HN MET 43 6.676 -5.426 3.802 306 HA MET 43 HA MET 43 4.992 -3.403 3.174 307 HB2 MET 43 HB2 MET 43 5.912 -4.712 1.355 308 HB3 MET 43 HB1 MET 43 5.157 -6.178 1.966 309 HG2 MET 43 HG2 MET 43 3.640 -3.838 0.952 310 HG3 MET 43 HG1 MET 43 4.316 -5.098 -0.105 311 HE1 MET 43 HE1 MET 43 3.419 -7.562 -0.148 312 HE2 MET 43 HE2 MET 43 2.237 -8.221 0.988 313 HE3 MET 43 HE3 MET 43 3.831 -7.716 1.558 314 H VAL 44 HN VAL 44 4.262 -6.604 4.186 315 HA VAL 44 HA VAL 44 1.481 -6.606 4.143 316 HB VAL 44 HB VAL 44 3.166 -8.101 6.167 317 HG11 VAL 44 HG11 VAL 44 0.448 -8.723 5.026 318 HG12 VAL 44 HG12 VAL 44 0.792 -8.169 6.664 319 HG13 VAL 44 HG13 VAL 44 1.362 -9.752 6.131 320 HG21 VAL 44 HG21 VAL 44 4.028 -8.469 3.960 321 HG22 VAL 44 HG22 VAL 44 2.413 -8.884 3.354 322 HG23 VAL 44 HG23 VAL 44 3.218 -9.932 4.531 323 H GLU 45 HN GLU 45 3.702 -5.408 6.588 324 HA GLU 45 HA GLU 45 1.717 -4.977 8.576 325 HB2 GLU 45 HB2 GLU 45 4.450 -3.712 8.314 326 HB3 GLU 45 HB1 GLU 45 3.447 -3.716 9.763 327 HG2 GLU 45 HG2 GLU 45 3.536 -6.199 9.733 328 HG3 GLU 45 HG1 GLU 45 4.699 -6.087 8.416 329 H VAL 46 HN VAL 46 3.302 -2.905 6.162 330 HA VAL 46 HA VAL 46 1.849 -0.584 6.545 331 HB VAL 46 HB VAL 46 2.741 -1.831 3.911 332 HG11 VAL 46 HG11 VAL 46 1.797 1.015 4.405 333 HG12 VAL 46 HG12 VAL 46 0.933 -0.197 3.472 334 HG13 VAL 46 HG13 VAL 46 2.485 0.404 2.905 335 HG21 VAL 46 HG21 VAL 46 4.530 -1.299 5.450 336 HG22 VAL 46 HG22 VAL 46 3.914 0.346 5.620 337 HG23 VAL 46 HG23 VAL 46 4.554 -0.202 4.069 338 H VAL 47 HN VAL 47 0.908 -3.457 4.703 339 HA VAL 47 HA VAL 47 -1.633 -2.727 3.854 340 HB VAL 47 HB VAL 47 -0.751 -5.457 4.856 341 HG11 VAL 47 HG11 VAL 47 -2.565 -6.357 3.477 342 HG12 VAL 47 HG12 VAL 47 -3.083 -4.717 3.090 343 HG13 VAL 47 HG13 VAL 47 -3.185 -5.306 4.750 344 HG21 VAL 47 HG21 VAL 47 0.633 -4.626 3.059 345 HG22 VAL 47 HG22 VAL 47 -0.800 -4.289 2.089 346 HG23 VAL 47 HG23 VAL 47 -0.382 -5.954 2.496 347 H VAL 48 HN VAL 48 -0.786 -4.312 6.929 348 HA VAL 48 HA VAL 48 -3.247 -4.486 8.198 349 HB VAL 48 HB VAL 48 -0.642 -3.660 9.520 350 HG11 VAL 48 HG11 VAL 48 -3.065 -5.022 10.686 351 HG12 VAL 48 HG12 VAL 48 -2.546 -3.368 11.003 352 HG13 VAL 48 HG13 VAL 48 -1.549 -4.722 11.534 353 HG21 VAL 48 HG21 VAL 48 -0.347 -5.659 8.199 354 HG22 VAL 48 HG22 VAL 48 -1.755 -6.391 8.974 355 HG23 VAL 48 HG23 VAL 48 -0.300 -6.051 9.923 356 H ALA 49 HN ALA 49 -1.017 -1.761 8.321 357 HA ALA 49 HA ALA 49 -2.786 -0.129 9.861 358 HB1 ALA 49 HB1 ALA 49 -0.261 0.655 8.416 359 HB2 ALA 49 HB2 ALA 49 -0.352 0.068 10.075 360 HB3 ALA 49 HB3 ALA 49 -1.094 1.609 9.640 361 H ALA 50 HN ALA 50 -2.153 -0.562 6.475 362 HA ALA 50 HA ALA 50 -3.556 1.737 5.585 363 HB1 ALA 50 HB1 ALA 50 -3.640 0.605 3.406 364 HB2 ALA 50 HB2 ALA 50 -3.097 -0.895 4.162 365 HB3 ALA 50 HB3 ALA 50 -2.025 0.503 4.108 366 H GLU 51 HN GLU 51 -4.438 -1.594 6.303 367 HA GLU 51 HA GLU 51 -7.103 -1.482 5.584 368 HB2 GLU 51 HB2 GLU 51 -5.804 -3.057 7.803 369 HB3 GLU 51 HB1 GLU 51 -7.474 -3.280 7.311 370 HG2 GLU 51 HG2 GLU 51 -6.680 -3.902 5.056 371 HG3 GLU 51 HG1 GLU 51 -5.021 -3.761 5.637 372 H GLU 52 HN GLU 52 -5.462 -0.533 8.439 373 HA GLU 52 HA GLU 52 -7.647 0.314 9.982 374 HB2 GLU 52 HB2 GLU 52 -5.483 -0.025 10.968 375 HB3 GLU 52 HB1 GLU 52 -4.753 1.157 9.898 376 HG2 GLU 52 HG2 GLU 52 -4.972 2.034 12.125 377 HG3 GLU 52 HG1 GLU 52 -6.004 2.925 11.009 378 H ARG 53 HN ARG 53 -5.349 2.149 8.018 379 HA ARG 53 HA ARG 53 -6.355 4.705 8.287 380 HB2 ARG 53 HB2 ARG 53 -4.125 4.132 7.452 381 HB3 ARG 53 HB1 ARG 53 -4.838 3.553 5.961 382 HG2 ARG 53 HG2 ARG 53 -3.921 5.699 5.528 383 HG3 ARG 53 HG1 ARG 53 -5.671 5.880 5.547 384 HD2 ARG 53 HD2 ARG 53 -3.891 6.495 7.909 385 HD3 ARG 53 HD1 ARG 53 -4.376 7.695 6.720 386 HE ARG 53 HE ARG 53 -6.740 6.826 7.497 387 HH11 ARG 53 HH11 ARG 53 -3.923 7.450 9.606 388 HH12 ARG 53 HH12 ARG 53 -4.906 8.109 10.853 389 HH21 ARG 53 HH21 ARG 53 -7.974 7.697 9.257 390 HH22 ARG 53 HH22 ARG 53 -7.188 8.218 10.689 391 H PHE 54 HN PHE 54 -7.169 2.347 5.723 392 HA PHE 54 HA PHE 54 -8.949 4.407 4.568 393 HB2 PHE 54 HB2 PHE 54 -8.304 1.738 3.329 394 HB3 PHE 54 HB1 PHE 54 -9.004 3.147 2.555 395 HD1 PHE 54 HD1 PHE 54 -7.425 5.302 2.985 396 HD2 PHE 54 HD2 PHE 54 -6.179 1.261 2.664 397 HE1 PHE 54 HE1 PHE 54 -5.185 6.055 2.232 398 HE2 PHE 54 HE2 PHE 54 -3.948 1.984 1.925 399 HZ PHE 54 HZ PHE 54 -3.391 4.290 1.788 400 H ASP 55 HN ASP 55 -9.189 1.987 6.758 401 HA ASP 55 HA ASP 55 -10.753 0.532 7.502 402 HB2 ASP 55 HB2 ASP 55 -12.621 2.370 5.957 403 HB3 ASP 55 HB1 ASP 55 -13.205 1.025 6.926 404 H VAL 56 HN VAL 56 -9.317 0.032 5.218 405 HA VAL 56 HA VAL 56 -11.029 -1.415 3.381 406 HB VAL 56 HB VAL 56 -9.162 0.046 2.537 407 HG11 VAL 56 HG11 VAL 56 -7.493 -0.306 4.164 408 HG12 VAL 56 HG12 VAL 56 -6.862 -0.772 2.580 409 HG13 VAL 56 HG13 VAL 56 -7.362 -2.008 3.732 410 HG21 VAL 56 HG21 VAL 56 -8.268 -1.471 0.832 411 HG22 VAL 56 HG22 VAL 56 -10.007 -1.674 1.055 412 HG23 VAL 56 HG23 VAL 56 -8.887 -2.848 1.747 413 H LYS 57 HN LYS 57 -10.134 -3.603 2.728 414 HA LYS 57 HA LYS 57 -9.161 -5.180 5.011 415 HB2 LYS 57 HB2 LYS 57 -11.616 -5.771 3.336 416 HB3 LYS 57 HB1 LYS 57 -10.739 -7.058 4.130 417 HG2 LYS 57 HG2 LYS 57 -12.615 -6.532 5.480 418 HG3 LYS 57 HG1 LYS 57 -11.195 -5.916 6.309 419 HD2 LYS 57 HD2 LYS 57 -11.728 -3.659 5.460 420 HD3 LYS 57 HD1 LYS 57 -13.180 -4.313 4.697 421 HE2 LYS 57 HE2 LYS 57 -14.028 -5.002 6.873 422 HE3 LYS 57 HE1 LYS 57 -12.563 -4.400 7.647 423 HZ1 LYS 57 HZ1 LYS 57 -13.156 -2.163 6.854 424 HZ2 LYS 57 HZ2 LYS 57 -14.297 -2.808 7.884 425 HZ3 LYS 57 HZ3 LYS 57 -14.617 -2.778 6.230 426 H ILE 58 HN ILE 58 -7.297 -6.061 4.354 427 HA ILE 58 HA ILE 58 -7.204 -7.083 1.620 428 HB ILE 58 HB ILE 58 -4.878 -5.511 2.745 429 HG12 ILE 58 HG12 ILE 58 -6.891 -4.560 0.681 430 HG13 ILE 58 HG11 ILE 58 -6.846 -3.992 2.346 431 HG21 ILE 58 HG21 ILE 58 -5.639 -6.503 0.030 432 HG22 ILE 58 HG22 ILE 58 -4.407 -7.224 1.077 433 HG23 ILE 58 HG23 ILE 58 -4.158 -5.604 0.385 434 HD11 ILE 58 HD11 ILE 58 -5.784 -2.407 0.839 435 HD12 ILE 58 HD12 ILE 58 -4.662 -3.655 0.297 436 HD13 ILE 58 HD13 ILE 58 -4.608 -3.085 1.966 437 HA PRO 59 HA PRO 59 -5.389 -10.320 4.228 438 HB2 PRO 59 HB2 PRO 59 -5.713 -12.287 2.358 439 HB3 PRO 59 HB1 PRO 59 -7.002 -11.792 3.459 440 HG2 PRO 59 HG2 PRO 59 -6.561 -11.069 0.602 441 HG3 PRO 59 HG1 PRO 59 -8.076 -11.424 1.451 442 HD2 PRO 59 HD2 PRO 59 -7.238 -8.897 0.864 443 HD3 PRO 59 HD1 PRO 59 -8.264 -9.287 2.259 444 H ASP 60 HN ASP 60 -3.295 -11.079 4.212 445 HA ASP 60 HA ASP 60 -1.480 -9.921 2.388 446 HB2 ASP 60 HB2 ASP 60 0.309 -11.148 3.394 447 HB3 ASP 60 HB1 ASP 60 -0.703 -10.442 4.650 448 H ASP 61 HN ASP 61 -3.158 -12.851 2.288 449 HA ASP 61 HA ASP 61 -1.606 -14.296 0.409 450 HB2 ASP 61 HB2 ASP 61 -3.424 -15.317 1.694 451 HB3 ASP 61 HB1 ASP 61 -4.590 -14.266 0.905 452 H ASP 62 HN ASP 62 -4.079 -11.834 0.106 453 HA ASP 62 HA ASP 62 -4.142 -12.168 -2.772 454 HB2 ASP 62 HB2 ASP 62 -6.158 -11.688 -1.202 455 HB3 ASP 62 HB1 ASP 62 -5.588 -10.021 -1.299 456 H VAL 63 HN VAL 63 -2.858 -9.912 -0.394 457 HA VAL 63 HA VAL 63 -2.513 -7.722 -2.119 458 HB VAL 63 HB VAL 63 -2.453 -7.524 0.363 459 HG11 VAL 63 HG11 VAL 63 -0.447 -8.022 1.608 460 HG12 VAL 63 HG12 VAL 63 0.334 -8.604 0.140 461 HG13 VAL 63 HG13 VAL 63 -1.043 -9.481 0.798 462 HG21 VAL 63 HG21 VAL 63 -1.608 -5.698 -1.025 463 HG22 VAL 63 HG22 VAL 63 -0.001 -6.439 -0.998 464 HG23 VAL 63 HG23 VAL 63 -0.711 -5.826 0.489 465 H LYS 64 HN LYS 64 -0.688 -10.585 -1.825 466 HA LYS 64 HA LYS 64 1.741 -9.544 -2.644 467 HB2 LYS 64 HB2 LYS 64 2.460 -11.898 -3.133 468 HB3 LYS 64 HB1 LYS 64 1.890 -11.570 -1.517 469 HG2 LYS 64 HG2 LYS 64 -0.263 -12.631 -2.115 470 HG3 LYS 64 HG1 LYS 64 0.422 -13.028 -3.701 471 HD2 LYS 64 HD2 LYS 64 2.161 -14.342 -2.690 472 HD3 LYS 64 HD1 LYS 64 1.671 -13.833 -1.079 473 HE2 LYS 64 HE2 LYS 64 0.919 -16.089 -1.488 474 HE3 LYS 64 HE1 LYS 64 -0.466 -15.014 -1.383 475 HZ1 LYS 64 HZ1 LYS 64 -0.740 -15.125 -3.761 476 HZ2 LYS 64 HZ2 LYS 64 -0.559 -16.685 -3.181 477 HZ3 LYS 64 HZ3 LYS 64 0.737 -15.912 -3.942 478 H ASN 65 HN ASN 65 -0.912 -9.589 -4.399 479 HA ASN 65 HA ASN 65 0.178 -10.367 -6.993 480 HB2 ASN 65 HB2 ASN 65 -2.558 -9.450 -6.138 481 HB3 ASN 65 HB1 ASN 65 -2.109 -9.725 -7.811 482 HD21 ASN 65 HD21 ASN 65 -2.896 -11.145 -4.798 483 HD22 ASN 65 HD22 ASN 65 -3.051 -12.770 -5.348 484 H LEU 66 HN LEU 66 0.469 -7.631 -5.165 485 HA LEU 66 HA LEU 66 -0.196 -5.842 -7.384 486 HB2 LEU 66 HB2 LEU 66 0.389 -5.100 -4.524 487 HB3 LEU 66 HB1 LEU 66 -0.274 -4.061 -5.768 488 HG LEU 66 HG LEU 66 -1.655 -6.419 -4.484 489 HD11 LEU 66 HD11 LEU 66 -3.199 -4.745 -3.633 490 HD12 LEU 66 HD12 LEU 66 -2.184 -3.474 -4.324 491 HD13 LEU 66 HD13 LEU 66 -1.556 -4.515 -3.042 492 HD21 LEU 66 HD21 LEU 66 -2.765 -4.519 -6.545 493 HD22 LEU 66 HD22 LEU 66 -3.610 -5.862 -5.771 494 HD23 LEU 66 HD23 LEU 66 -2.266 -6.182 -6.870 495 H LYS 67 HN LYS 67 1.266 -4.278 -8.133 496 HA LYS 67 HA LYS 67 4.083 -4.847 -7.450 497 HB2 LYS 67 HB2 LYS 67 4.706 -4.149 -9.673 498 HB3 LYS 67 HB1 LYS 67 3.364 -5.275 -9.829 499 HG2 LYS 67 HG2 LYS 67 1.839 -3.294 -10.027 500 HG3 LYS 67 HG1 LYS 67 3.268 -2.276 -10.062 501 HD2 LYS 67 HD2 LYS 67 2.431 -2.586 -12.193 502 HD3 LYS 67 HD1 LYS 67 3.987 -3.437 -12.120 503 HE2 LYS 67 HE2 LYS 67 2.396 -4.865 -13.296 504 HE3 LYS 67 HE1 LYS 67 2.718 -5.574 -11.719 505 HZ1 LYS 67 HZ1 LYS 67 0.601 -4.510 -10.937 506 HZ2 LYS 67 HZ2 LYS 67 0.353 -5.636 -12.167 507 HZ3 LYS 67 HZ3 LYS 67 0.329 -3.995 -12.512 508 H THR 68 HN THR 68 1.745 -2.201 -7.978 509 HA THR 68 HA THR 68 3.673 -0.306 -6.825 510 HB THR 68 HB THR 68 2.825 1.412 -8.415 511 HG1 THR 68 HG1 THR 68 1.781 0.464 -10.363 512 HG21 THR 68 HG21 THR 68 4.939 0.261 -8.953 513 HG22 THR 68 HG22 THR 68 4.045 0.663 -10.418 514 HG23 THR 68 HG23 THR 68 4.034 -0.992 -9.803 515 H VAL 69 HN VAL 69 2.294 1.886 -6.530 516 HA VAL 69 HA VAL 69 0.001 1.047 -5.083 517 HB VAL 69 HB VAL 69 -0.312 3.187 -4.211 518 HG11 VAL 69 HG11 VAL 69 1.825 3.896 -3.329 519 HG12 VAL 69 HG12 VAL 69 2.628 2.790 -4.460 520 HG13 VAL 69 HG13 VAL 69 1.526 2.164 -3.226 521 HG21 VAL 69 HG21 VAL 69 -0.265 4.480 -6.191 522 HG22 VAL 69 HG22 VAL 69 1.489 4.316 -6.308 523 HG23 VAL 69 HG23 VAL 69 0.767 5.214 -4.970 524 H GLY 70 HN GLY 70 0.633 1.783 -8.293 525 HA2 GLY 70 HA2 GLY 70 -1.783 3.068 -9.028 526 HA3 GLY 70 HA1 GLY 70 -0.756 2.079 -10.078 527 H ASP 71 HN ASP 71 -0.658 -0.234 -8.909 528 HA ASP 71 HA ASP 71 -3.070 -1.591 -9.383 529 HB2 ASP 71 HB2 ASP 71 -0.670 -2.317 -7.718 530 HB3 ASP 71 HB1 ASP 71 -2.019 -3.405 -7.879 531 H ALA 72 HN ALA 72 -1.458 -0.737 -6.378 532 HA ALA 72 HA ALA 72 -3.288 -1.684 -4.583 533 HB1 ALA 72 HB1 ALA 72 -2.252 -0.295 -2.913 534 HB2 ALA 72 HB2 ALA 72 -1.574 0.749 -4.156 535 HB3 ALA 72 HB3 ALA 72 -1.017 -0.916 -4.008 536 H THR 73 HN THR 73 -3.307 1.540 -6.081 537 HA THR 73 HA THR 73 -5.242 2.706 -4.511 538 HB THR 73 HB THR 73 -4.748 3.121 -7.478 539 HG1 THR 73 HG1 THR 73 -2.951 3.585 -6.141 540 HG21 THR 73 HG21 THR 73 -6.942 4.009 -6.831 541 HG22 THR 73 HG22 THR 73 -5.809 5.321 -7.163 542 HG23 THR 73 HG23 THR 73 -6.200 4.892 -5.498 543 H LYS 74 HN LYS 74 -5.821 1.164 -7.698 544 HA LYS 74 HA LYS 74 -8.640 1.271 -7.483 545 HB2 LYS 74 HB2 LYS 74 -6.743 -0.094 -9.338 546 HB3 LYS 74 HB1 LYS 74 -8.417 -0.619 -9.330 547 HG2 LYS 74 HG2 LYS 74 -8.036 1.003 -11.064 548 HG3 LYS 74 HG1 LYS 74 -9.145 1.623 -9.845 549 HD2 LYS 74 HD2 LYS 74 -7.676 3.415 -10.440 550 HD3 LYS 74 HD1 LYS 74 -7.184 2.855 -8.843 551 HE2 LYS 74 HE2 LYS 74 -5.246 3.282 -10.244 552 HE3 LYS 74 HE1 LYS 74 -5.367 1.569 -9.862 553 HZ1 LYS 74 HZ1 LYS 74 -4.796 2.073 -12.187 554 HZ2 LYS 74 HZ2 LYS 74 -6.335 2.763 -12.401 555 HZ3 LYS 74 HZ3 LYS 74 -6.159 1.105 -12.015 556 H TYR 75 HN TYR 75 -6.307 -1.033 -6.561 557 HA TYR 75 HA TYR 75 -7.970 -3.233 -6.136 558 HB2 TYR 75 HB2 TYR 75 -5.578 -3.457 -6.371 559 HB3 TYR 75 HB1 TYR 75 -5.315 -2.440 -4.961 560 HD1 TYR 75 HD1 TYR 75 -6.511 -5.702 -6.109 561 HD2 TYR 75 HD2 TYR 75 -5.349 -3.336 -2.794 562 HE1 TYR 75 HE1 TYR 75 -6.458 -7.698 -4.728 563 HE2 TYR 75 HE2 TYR 75 -5.293 -5.332 -1.386 564 HH TYR 75 HH TYR 75 -5.968 -7.476 -1.281 565 H ILE 76 HN ILE 76 -6.605 -0.814 -3.933 566 HA ILE 76 HA ILE 76 -7.904 -1.710 -1.612 567 HB ILE 76 HB ILE 76 -6.564 0.920 -2.302 568 HG12 ILE 76 HG12 ILE 76 -5.712 -1.345 -0.488 569 HG13 ILE 76 HG11 ILE 76 -5.148 -1.105 -2.136 570 HG21 ILE 76 HG21 ILE 76 -7.607 0.084 0.403 571 HG22 ILE 76 HG22 ILE 76 -8.266 1.356 -0.618 572 HG23 ILE 76 HG23 ILE 76 -6.642 1.527 0.060 573 HD11 ILE 76 HD11 ILE 76 -3.515 -0.342 -0.514 574 HD12 ILE 76 HD12 ILE 76 -4.702 0.772 0.179 575 HD13 ILE 76 HD13 ILE 76 -4.126 1.004 -1.474 576 H LEU 77 HN LEU 77 -8.757 0.648 -4.082 577 HA LEU 77 HA LEU 77 -10.927 1.729 -2.787 578 HB2 LEU 77 HB2 LEU 77 -10.472 1.323 -5.740 579 HB3 LEU 77 HB1 LEU 77 -11.877 2.169 -5.125 580 HG LEU 77 HG LEU 77 -9.005 3.017 -4.710 581 HD11 LEU 77 HD11 LEU 77 -9.725 3.306 -7.021 582 HD12 LEU 77 HD12 LEU 77 -9.543 4.863 -6.213 583 HD13 LEU 77 HD13 LEU 77 -11.151 4.187 -6.475 584 HD21 LEU 77 HD21 LEU 77 -10.445 3.652 -2.847 585 HD22 LEU 77 HD22 LEU 77 -11.593 4.382 -3.968 586 HD23 LEU 77 HD23 LEU 77 -9.976 5.064 -3.790 587 H ASP 78 HN ASP 78 -10.735 -1.141 -4.842 588 HA ASP 78 HA ASP 78 -13.499 -1.802 -4.651 589 HB2 ASP 78 HB2 ASP 78 -12.175 -2.700 -6.488 590 HB3 ASP 78 HB1 ASP 78 -11.127 -3.544 -5.355 591 H HIS 79 HN HIS 79 -10.649 -2.755 -2.897 592 HA HIS 79 HA HIS 79 -11.896 -4.782 -1.319 593 HB2 HIS 79 HB2 HIS 79 -9.210 -3.605 -1.435 594 HB3 HIS 79 HB1 HIS 79 -9.684 -4.371 0.080 595 HD1 HIS 79 HD1 HIS 79 -9.334 -6.785 0.189 596 HD2 HIS 79 HD2 HIS 79 -9.617 -5.460 -3.734 597 HE1 HIS 79 HE1 HIS 79 -8.854 -8.805 -1.244 598 HE2 HIS 79 HE2 HIS 79 -8.897 -7.941 -3.613 599 H GLN 80 HN GLN 80 -12.557 -1.562 -0.963 600 HA GLN 80 HA GLN 80 -12.790 -1.932 1.914 601 HB2 GLN 80 HB2 GLN 80 -12.548 0.398 2.188 602 HB3 GLN 80 HB1 GLN 80 -11.123 -0.254 1.385 603 HG2 GLN 80 HG2 GLN 80 -12.035 0.593 -0.748 604 HG3 GLN 80 HG1 GLN 80 -13.377 1.310 0.149 605 HE21 GLN 80 HE21 GLN 80 -10.054 1.429 -0.541 606 HE22 GLN 80 HE22 GLN 80 -9.747 2.988 0.165 607 H ALA 81 HN ALA 81 -14.471 -0.358 2.793 608 HA ALA 81 HA ALA 81 -16.664 0.161 0.990 609 HB1 ALA 81 HB1 ALA 81 -16.903 -1.333 3.620 610 HB2 ALA 81 HB2 ALA 81 -17.188 -2.014 2.019 611 HB3 ALA 81 HB3 ALA 81 -18.259 -0.764 2.648 612 H2 SOO 101 H2A SOO 101 4.181 -4.333 -2.233 613 H3 SOO 101 H3A SOO 101 1.370 -5.524 -2.629 614 H4 SOO 101 H4A SOO 101 2.007 -3.511 -0.686 615 H4A SOO 101 H4B SOO 101 2.190 -2.669 -2.229 616 H5 SOO 101 H5A SOO 101 -0.269 -4.192 -1.394 617 H5A SOO 101 H5B SOO 101 -0.071 -3.210 -2.841 618 H6 SOO 101 H6A SOO 101 -1.353 -1.982 -1.223 619 H6A SOO 101 H6B SOO 101 0.222 -1.214 -1.437 620 H7 SOO 101 H7A SOO 101 1.030 -2.174 0.623 621 H7A SOO 101 H7B SOO 101 -0.471 -3.099 0.821 622 H8 SOO 101 H8C SOO 101 -0.470 -1.069 2.194 623 H8A SOO 101 H8A SOO 101 -1.716 -1.000 0.948 624 H8B SOO 101 H8B SOO 101 -0.221 -0.094 0.743 625 H28 SOO 101 H28A SOO 101 10.568 -11.646 3.055 626 H28A SOO 101 H28B SOO 101 9.643 -10.274 2.452 627 H30 SOO 101 H30A SOO 101 8.431 -10.448 0.305 628 H30A SOO 101 H30B SOO 101 8.385 -11.979 -0.568 629 H30B SOO 101 H30C SOO 101 9.885 -11.051 -0.493 630 H31 SOO 101 H31A SOO 101 11.096 -13.043 0.436 631 H31A SOO 101 H31B SOO 101 9.617 -14.004 0.394 632 H31B SOO 101 H31C SOO 101 10.504 -13.818 1.906 633 H32 SOO 101 H32A SOO 101 8.351 -13.121 2.982 634 HO33 SOO 101 H33A SOO 101 7.245 -11.565 3.658 635 HN36 SOO 101 H36A SOO 101 5.958 -12.023 2.139 636 H37 SOO 101 H37A SOO 101 4.901 -13.939 0.096 637 H37A SOO 101 H37B SOO 101 4.086 -13.727 1.638 638 H38 SOO 101 H38A SOO 101 2.912 -12.445 0.042 639 H38A SOO 101 H38B SOO 101 3.765 -11.310 1.110 640 HN41 SOO 101 H41A SOO 101 3.807 -9.674 -0.299 641 H42 SOO 101 H42A SOO 101 5.470 -9.856 -2.724 642 H42A SOO 101 H42B SOO 101 3.918 -9.039 -2.684 643 H43 SOO 101 H43A SOO 101 6.368 -8.176 -1.151 644 H43A SOO 101 H43B SOO 101 4.737 -7.636 -0.837 Start of MODEL 17 1 H1 ALA 1 HT1 ALA 1 -16.327 5.671 2.038 2 H2 ALA 1 HT2 ALA 1 -15.676 7.167 1.554 3 H3 ALA 1 HT3 ALA 1 -14.902 6.249 2.739 4 HA ALA 1 HA ALA 1 -14.372 4.556 1.177 5 HB1 ALA 1 HB1 ALA 1 -16.323 4.827 -0.280 6 HB2 ALA 1 HB2 ALA 1 -14.822 4.915 -1.203 7 HB3 ALA 1 HB3 ALA 1 -15.708 6.391 -0.817 8 H ALA 2 HN ALA 2 -12.256 4.757 0.911 9 HA ALA 2 HA ALA 2 -11.059 7.386 0.957 10 HB1 ALA 2 HB1 ALA 2 -8.936 6.209 1.069 11 HB2 ALA 2 HB2 ALA 2 -9.752 4.669 0.782 12 HB3 ALA 2 HB3 ALA 2 -10.061 5.573 2.269 13 H THR 3 HN THR 3 -10.532 8.501 -0.765 14 HA THR 3 HA THR 3 -10.883 7.412 -3.388 15 HB THR 3 HB THR 3 -10.302 9.723 -4.100 16 HG1 THR 3 HG1 THR 3 -10.335 11.109 -1.913 17 HG21 THR 3 HG21 THR 3 -12.298 9.561 -1.843 18 HG22 THR 3 HG22 THR 3 -12.632 9.148 -3.531 19 HG23 THR 3 HG23 THR 3 -12.256 10.816 -3.080 20 H GLN 4 HN GLN 4 -9.043 8.436 -5.012 21 HA GLN 4 HA GLN 4 -6.711 6.961 -4.565 22 HB2 GLN 4 HB2 GLN 4 -7.511 7.367 -6.810 23 HB3 GLN 4 HB1 GLN 4 -7.478 9.097 -6.569 24 HG2 GLN 4 HG2 GLN 4 -4.897 7.655 -6.360 25 HG3 GLN 4 HG1 GLN 4 -5.635 7.763 -7.957 26 HE21 GLN 4 HE21 GLN 4 -4.147 9.538 -5.359 27 HE22 GLN 4 HE22 GLN 4 -3.955 11.024 -6.191 28 H GLU 5 HN GLU 5 -7.596 10.303 -4.109 29 HA GLU 5 HA GLU 5 -5.078 11.377 -3.447 30 HB2 GLU 5 HB2 GLU 5 -7.164 12.673 -3.956 31 HB3 GLU 5 HB1 GLU 5 -7.801 12.191 -2.395 32 HG2 GLU 5 HG2 GLU 5 -6.972 14.431 -2.252 33 HG3 GLU 5 HG1 GLU 5 -5.925 13.375 -1.306 34 H GLU 6 HN GLU 6 -7.456 9.590 -1.607 35 HA GLU 6 HA GLU 6 -6.091 10.033 0.868 36 HB2 GLU 6 HB2 GLU 6 -8.519 8.456 0.128 37 HB3 GLU 6 HB1 GLU 6 -7.802 8.362 1.732 38 HG2 GLU 6 HG2 GLU 6 -8.758 10.884 0.405 39 HG3 GLU 6 HG1 GLU 6 -9.653 9.959 1.614 40 H ILE 7 HN ILE 7 -6.252 7.544 -1.524 41 HA ILE 7 HA ILE 7 -4.986 5.555 0.063 42 HB ILE 7 HB ILE 7 -5.402 5.766 -2.936 43 HG12 ILE 7 HG12 ILE 7 -6.700 4.009 -0.840 44 HG13 ILE 7 HG11 ILE 7 -7.392 5.501 -1.464 45 HG21 ILE 7 HG21 ILE 7 -4.323 3.417 -1.359 46 HG22 ILE 7 HG22 ILE 7 -3.404 4.400 -2.500 47 HG23 ILE 7 HG23 ILE 7 -4.741 3.401 -3.073 48 HD11 ILE 7 HD11 ILE 7 -7.526 4.502 -3.684 49 HD12 ILE 7 HD12 ILE 7 -8.399 3.548 -2.485 50 HD13 ILE 7 HD13 ILE 7 -6.819 3.013 -3.056 51 H VAL 8 HN VAL 8 -3.782 7.495 -2.647 52 HA VAL 8 HA VAL 8 -1.117 6.648 -2.550 53 HB VAL 8 HB VAL 8 -2.294 9.268 -3.536 54 HG11 VAL 8 HG11 VAL 8 0.359 7.998 -4.213 55 HG12 VAL 8 HG12 VAL 8 0.125 9.467 -3.263 56 HG13 VAL 8 HG13 VAL 8 -0.325 9.438 -4.969 57 HG21 VAL 8 HG21 VAL 8 -2.272 8.175 -5.727 58 HG22 VAL 8 HG22 VAL 8 -3.294 7.328 -4.568 59 HG23 VAL 8 HG23 VAL 8 -1.704 6.685 -4.969 60 H ALA 9 HN ALA 9 -2.352 9.823 -1.431 61 HA ALA 9 HA ALA 9 -0.054 10.506 0.033 62 HB1 ALA 9 HB1 ALA 9 -2.872 11.476 0.454 63 HB2 ALA 9 HB2 ALA 9 -1.721 12.143 -0.707 64 HB3 ALA 9 HB3 ALA 9 -1.404 12.269 1.025 65 H GLY 10 HN GLY 10 -2.762 8.508 0.903 66 HA2 GLY 10 HA2 GLY 10 -2.387 8.698 3.739 67 HA3 GLY 10 HA1 GLY 10 -3.397 7.534 2.893 68 H LEU 11 HN LEU 11 -1.611 6.234 1.292 69 HA LEU 11 HA LEU 11 -0.495 4.264 2.830 70 HB2 LEU 11 HB2 LEU 11 -0.502 5.084 0.097 71 HB3 LEU 11 HB1 LEU 11 1.083 4.472 0.496 72 HG LEU 11 HG LEU 11 -1.559 3.004 0.823 73 HD11 LEU 11 HD11 LEU 11 0.688 2.588 -1.128 74 HD12 LEU 11 HD12 LEU 11 -0.908 3.244 -1.494 75 HD13 LEU 11 HD13 LEU 11 -0.741 1.570 -0.960 76 HD21 LEU 11 HD21 LEU 11 1.260 2.044 1.306 77 HD22 LEU 11 HD22 LEU 11 -0.196 1.053 1.387 78 HD23 LEU 11 HD23 LEU 11 0.050 2.361 2.545 79 H ALA 12 HN ALA 12 1.054 7.083 1.473 80 HA ALA 12 HA ALA 12 3.684 6.487 2.118 81 HB1 ALA 12 HB1 ALA 12 4.145 8.805 1.811 82 HB2 ALA 12 HB2 ALA 12 2.424 9.199 1.947 83 HB3 ALA 12 HB3 ALA 12 3.015 8.228 0.587 84 H GLU 13 HN GLU 13 1.190 7.915 4.125 85 HA GLU 13 HA GLU 13 2.886 8.831 6.181 86 HB2 GLU 13 HB2 GLU 13 -0.028 8.065 6.200 87 HB3 GLU 13 HB1 GLU 13 0.798 8.848 7.539 88 HG2 GLU 13 HG2 GLU 13 0.540 10.004 4.772 89 HG3 GLU 13 HG1 GLU 13 -0.515 10.393 6.128 90 H ILE 14 HN ILE 14 1.304 5.759 5.557 91 HA ILE 14 HA ILE 14 2.256 4.717 8.090 92 HB ILE 14 HB ILE 14 0.662 3.302 5.902 93 HG12 ILE 14 HG12 ILE 14 -1.118 3.169 7.710 94 HG13 ILE 14 HG11 ILE 14 -0.137 4.263 8.666 95 HG21 ILE 14 HG21 ILE 14 1.481 2.242 8.605 96 HG22 ILE 14 HG22 ILE 14 2.132 1.723 7.058 97 HG23 ILE 14 HG23 ILE 14 0.438 1.418 7.447 98 HD11 ILE 14 HD11 ILE 14 -0.414 5.982 6.955 99 HD12 ILE 14 HD12 ILE 14 -1.968 5.413 7.574 100 HD13 ILE 14 HD13 ILE 14 -1.389 4.865 6.001 101 H VAL 15 HN VAL 15 3.034 4.536 4.708 102 HA VAL 15 HA VAL 15 4.965 2.528 4.780 103 HB VAL 15 HB VAL 15 4.740 4.968 2.982 104 HG11 VAL 15 HG11 VAL 15 7.085 4.325 3.079 105 HG12 VAL 15 HG12 VAL 15 6.396 3.913 1.508 106 HG13 VAL 15 HG13 VAL 15 6.663 2.650 2.719 107 HG21 VAL 15 HG21 VAL 15 4.047 3.315 1.306 108 HG22 VAL 15 HG22 VAL 15 2.996 3.286 2.720 109 HG23 VAL 15 HG23 VAL 15 4.216 2.033 2.503 110 H ASN 16 HN ASN 16 5.117 5.900 5.607 111 HA ASN 16 HA ASN 16 7.903 6.104 5.983 112 HB2 ASN 16 HB2 ASN 16 6.232 7.981 5.736 113 HB3 ASN 16 HB1 ASN 16 5.795 7.699 7.418 114 HD21 ASN 16 HD21 ASN 16 8.264 8.681 5.251 115 HD22 ASN 16 HD22 ASN 16 9.242 9.543 6.367 116 H GLU 17 HN GLU 17 5.400 4.761 7.895 117 HA GLU 17 HA GLU 17 6.817 4.840 10.407 118 HB2 GLU 17 HB2 GLU 17 4.397 3.272 9.531 119 HB3 GLU 17 HB1 GLU 17 4.987 3.407 11.181 120 HG2 GLU 17 HG2 GLU 17 4.092 5.667 9.479 121 HG3 GLU 17 HG1 GLU 17 3.065 4.861 10.677 122 H ILE 18 HN ILE 18 5.766 2.389 8.149 123 HA ILE 18 HA ILE 18 7.048 0.218 9.442 124 HB ILE 18 HB ILE 18 5.995 0.411 6.613 125 HG12 ILE 18 HG12 ILE 18 4.249 0.995 8.189 126 HG13 ILE 18 HG11 ILE 18 3.938 -0.606 7.539 127 HG21 ILE 18 HG21 ILE 18 5.758 -2.031 6.732 128 HG22 ILE 18 HG22 ILE 18 6.532 -2.021 8.317 129 HG23 ILE 18 HG23 ILE 18 7.440 -1.522 6.890 130 HD11 ILE 18 HD11 ILE 18 4.773 -1.608 9.604 131 HD12 ILE 18 HD12 ILE 18 3.441 -0.490 9.909 132 HD13 ILE 18 HD13 ILE 18 5.100 0.004 10.250 133 H ALA 19 HN ALA 19 7.816 1.982 6.446 134 HA ALA 19 HA ALA 19 10.383 0.543 6.396 135 HB1 ALA 19 HB1 ALA 19 9.000 1.954 4.130 136 HB2 ALA 19 HB2 ALA 19 8.940 0.223 4.456 137 HB3 ALA 19 HB3 ALA 19 10.474 0.987 4.030 138 H GLY 20 HN GLY 20 8.978 3.666 6.667 139 HA2 GLY 20 HA2 GLY 20 10.045 5.627 7.365 140 HA3 GLY 20 HA1 GLY 20 11.594 4.809 7.187 141 H ILE 21 HN ILE 21 9.238 4.835 4.681 142 HA ILE 21 HA ILE 21 11.107 6.162 2.894 143 HB ILE 21 HB ILE 21 8.433 4.818 2.377 144 HG12 ILE 21 HG12 ILE 21 10.025 3.187 3.082 145 HG13 ILE 21 HG11 ILE 21 9.813 3.016 1.345 146 HG21 ILE 21 HG21 ILE 21 8.830 6.464 0.648 147 HG22 ILE 21 HG22 ILE 21 8.992 4.833 -0.004 148 HG23 ILE 21 HG23 ILE 21 10.432 5.789 0.343 149 HD11 ILE 21 HD11 ILE 21 11.908 4.220 0.979 150 HD12 ILE 21 HD12 ILE 21 12.141 2.784 1.977 151 HD13 ILE 21 HD13 ILE 21 12.111 4.382 2.724 152 HA PRO 22 HA PRO 22 9.534 10.251 3.206 153 HB2 PRO 22 HB2 PRO 22 9.516 10.595 0.358 154 HB3 PRO 22 HB1 PRO 22 10.693 11.201 1.525 155 HG2 PRO 22 HG2 PRO 22 10.811 8.821 -0.204 156 HG3 PRO 22 HG1 PRO 22 12.130 9.740 0.537 157 HD2 PRO 22 HD2 PRO 22 11.410 7.278 1.369 158 HD3 PRO 22 HD1 PRO 22 12.048 8.483 2.497 159 H VAL 23 HN VAL 23 7.628 10.969 3.435 160 HA VAL 23 HA VAL 23 5.252 9.569 2.704 161 HB VAL 23 HB VAL 23 4.092 11.460 3.825 162 HG11 VAL 23 HG11 VAL 23 5.071 11.112 6.023 163 HG12 VAL 23 HG12 VAL 23 6.510 10.415 5.276 164 HG13 VAL 23 HG13 VAL 23 4.955 9.592 5.133 165 HG21 VAL 23 HG21 VAL 23 6.879 12.524 3.985 166 HG22 VAL 23 HG22 VAL 23 5.470 13.267 4.783 167 HG23 VAL 23 HG23 VAL 23 5.587 13.183 3.008 168 H GLU 24 HN GLU 24 6.877 10.948 0.568 169 HA GLU 24 HA GLU 24 4.661 12.297 -0.833 170 HB2 GLU 24 HB2 GLU 24 6.313 13.887 -1.720 171 HB3 GLU 24 HB1 GLU 24 6.176 13.993 0.031 172 HG2 GLU 24 HG2 GLU 24 8.209 12.665 0.284 173 HG3 GLU 24 HG1 GLU 24 8.344 12.529 -1.467 174 H ASP 25 HN ASP 25 6.756 9.748 -0.735 175 HA ASP 25 HA ASP 25 7.528 9.901 -3.543 176 HB2 ASP 25 HB2 ASP 25 9.310 9.780 -1.919 177 HB3 ASP 25 HB1 ASP 25 8.642 8.329 -1.234 178 H VAL 26 HN VAL 26 5.188 8.463 -1.649 179 HA VAL 26 HA VAL 26 5.218 5.932 -3.042 180 HB VAL 26 HB VAL 26 3.355 6.996 -0.872 181 HG11 VAL 26 HG11 VAL 26 2.322 5.229 -2.198 182 HG12 VAL 26 HG12 VAL 26 2.678 4.668 -0.565 183 HG13 VAL 26 HG13 VAL 26 3.715 4.187 -1.911 184 HG21 VAL 26 HG21 VAL 26 5.714 5.135 -0.639 185 HG22 VAL 26 HG22 VAL 26 4.601 5.554 0.666 186 HG23 VAL 26 HG23 VAL 26 5.630 6.796 -0.048 187 H LYS 27 HN LYS 27 4.966 7.107 -4.976 188 HA LYS 27 HA LYS 27 2.386 8.396 -5.447 189 HB2 LYS 27 HB2 LYS 27 4.869 8.343 -7.167 190 HB3 LYS 27 HB1 LYS 27 3.394 9.264 -7.427 191 HG2 LYS 27 HG2 LYS 27 3.808 10.582 -5.457 192 HG3 LYS 27 HG1 LYS 27 5.271 9.649 -5.123 193 HD2 LYS 27 HD2 LYS 27 6.248 10.391 -7.225 194 HD3 LYS 27 HD1 LYS 27 4.772 11.274 -7.614 195 HE2 LYS 27 HE2 LYS 27 6.599 11.824 -5.278 196 HE3 LYS 27 HE1 LYS 27 6.527 12.756 -6.773 197 HZ1 LYS 27 HZ1 LYS 27 4.330 12.466 -4.775 198 HZ2 LYS 27 HZ2 LYS 27 4.214 13.298 -6.247 199 HZ3 LYS 27 HZ3 LYS 27 5.280 13.840 -5.052 200 H LEU 28 HN LEU 28 1.336 7.940 -7.542 201 HA LEU 28 HA LEU 28 0.493 5.357 -7.709 202 HB2 LEU 28 HB2 LEU 28 0.293 7.582 -9.695 203 HB3 LEU 28 HB1 LEU 28 -0.418 6.013 -10.008 204 HG LEU 28 HG LEU 28 -1.105 7.718 -7.604 205 HD11 LEU 28 HD11 LEU 28 -2.627 7.304 -10.176 206 HD12 LEU 28 HD12 LEU 28 -1.845 8.807 -9.672 207 HD13 LEU 28 HD13 LEU 28 -3.211 8.164 -8.753 208 HD21 LEU 28 HD21 LEU 28 -2.376 5.261 -8.777 209 HD22 LEU 28 HD22 LEU 28 -2.969 6.179 -7.392 210 HD23 LEU 28 HD23 LEU 28 -1.427 5.331 -7.294 211 H ASP 29 HN ASP 29 3.126 6.679 -9.669 212 HA ASP 29 HA ASP 29 3.199 4.136 -11.142 213 HB2 ASP 29 HB2 ASP 29 3.243 6.444 -12.280 214 HB3 ASP 29 HB1 ASP 29 4.886 6.591 -11.682 215 H LYS 30 HN LYS 30 4.069 4.347 -8.323 216 HA LYS 30 HA LYS 30 6.928 3.684 -8.554 217 HB2 LYS 30 HB2 LYS 30 5.303 4.658 -6.189 218 HB3 LYS 30 HB1 LYS 30 6.977 4.149 -6.097 219 HG2 LYS 30 HG2 LYS 30 6.229 6.356 -7.961 220 HG3 LYS 30 HG1 LYS 30 6.320 6.681 -6.233 221 HD2 LYS 30 HD2 LYS 30 8.553 5.572 -7.954 222 HD3 LYS 30 HD1 LYS 30 8.430 7.233 -7.362 223 HE2 LYS 30 HE2 LYS 30 8.337 6.207 -5.019 224 HE3 LYS 30 HE1 LYS 30 8.856 4.709 -5.777 225 HZ1 LYS 30 HZ1 LYS 30 10.775 5.786 -4.954 226 HZ2 LYS 30 HZ2 LYS 30 10.277 7.242 -5.470 227 HZ3 LYS 30 HZ3 LYS 30 10.851 6.118 -6.625 228 H SER 31 HN SER 31 7.426 1.607 -8.135 229 HA SER 31 HA SER 31 5.360 -0.273 -7.415 230 HB2 SER 31 HB2 SER 31 8.309 -0.764 -7.812 231 HB3 SER 31 HB1 SER 31 6.988 -1.923 -7.986 232 HG SER 31 HG SER 31 7.651 0.280 -9.597 233 H PHE 32 HN PHE 32 5.195 -1.290 -5.485 234 HA PHE 32 HA PHE 32 6.148 -0.160 -3.120 235 HB2 PHE 32 HB2 PHE 32 5.128 -2.957 -3.566 236 HB3 PHE 32 HB1 PHE 32 5.522 -2.314 -1.985 237 HD1 PHE 32 HD1 PHE 32 4.352 0.000 -1.478 238 HD2 PHE 32 HD2 PHE 32 2.975 -2.927 -4.218 239 HE1 PHE 32 HE1 PHE 32 2.069 0.859 -1.229 240 HE2 PHE 32 HE2 PHE 32 0.685 -2.072 -3.995 241 HZ PHE 32 HZ PHE 32 0.227 -0.178 -2.492 242 H THR 33 HN THR 33 7.058 -3.509 -3.922 243 HA THR 33 HA THR 33 9.465 -3.028 -2.410 244 HB THR 33 HB THR 33 9.809 -5.538 -2.693 245 HG1 THR 33 HG1 THR 33 8.088 -6.724 -3.437 246 HG21 THR 33 HG21 THR 33 7.217 -4.615 -1.433 247 HG22 THR 33 HG22 THR 33 8.807 -4.571 -0.670 248 HG23 THR 33 HG23 THR 33 8.062 -6.120 -1.068 249 H ASP 34 HN ASP 34 9.748 -1.540 -4.445 250 HA ASP 34 HA ASP 34 12.060 -2.591 -5.765 251 HB2 ASP 34 HB2 ASP 34 10.367 -3.466 -7.310 252 HB3 ASP 34 HB1 ASP 34 9.688 -1.855 -7.497 253 H ASP 35 HN ASP 35 9.654 0.081 -6.096 254 HA ASP 35 HA ASP 35 11.882 1.929 -6.520 255 HB2 ASP 35 HB2 ASP 35 8.895 2.399 -6.674 256 HB3 ASP 35 HB1 ASP 35 10.118 3.618 -6.974 257 H LEU 36 HN LEU 36 9.395 1.119 -4.261 258 HA LEU 36 HA LEU 36 9.955 3.413 -2.576 259 HB2 LEU 36 HB2 LEU 36 8.129 1.057 -2.113 260 HB3 LEU 36 HB1 LEU 36 8.193 2.502 -1.135 261 HG LEU 36 HG LEU 36 7.270 2.330 -3.998 262 HD11 LEU 36 HD11 LEU 36 5.081 2.873 -3.068 263 HD12 LEU 36 HD12 LEU 36 5.760 2.816 -1.440 264 HD13 LEU 36 HD13 LEU 36 5.701 1.354 -2.424 265 HD21 LEU 36 HD21 LEU 36 6.619 4.664 -3.702 266 HD22 LEU 36 HD22 LEU 36 8.358 4.418 -3.577 267 HD23 LEU 36 HD23 LEU 36 7.398 4.674 -2.112 268 H ASP 37 HN ASP 37 9.942 -0.087 -2.264 269 HA ASP 37 HA ASP 37 11.026 -1.575 -1.067 270 HB2 ASP 37 HB2 ASP 37 13.044 0.605 -0.644 271 HB3 ASP 37 HB1 ASP 37 13.112 -0.830 0.372 272 H VAL 38 HN VAL 38 9.580 -2.157 0.193 273 HA VAL 38 HA VAL 38 9.302 -0.681 2.710 274 HB VAL 38 HB VAL 38 7.120 -2.423 1.498 275 HG11 VAL 38 HG11 VAL 38 5.627 -1.202 3.018 276 HG12 VAL 38 HG12 VAL 38 7.010 -0.305 3.645 277 HG13 VAL 38 HG13 VAL 38 6.907 -2.050 3.885 278 HG21 VAL 38 HG21 VAL 38 7.533 -0.593 -0.068 279 HG22 VAL 38 HG22 VAL 38 7.386 0.578 1.241 280 HG23 VAL 38 HG23 VAL 38 5.984 -0.369 0.746 281 H ASP 39 HN ASP 39 11.324 -2.304 2.581 282 HA ASP 39 HA ASP 39 12.429 -3.898 3.596 283 HB2 ASP 39 HB2 ASP 39 11.216 -3.526 5.632 284 HB3 ASP 39 HB1 ASP 39 9.845 -4.469 5.049 285 H SER 40 HN SER 40 9.315 -5.144 2.783 286 HA SER 40 HA SER 40 8.672 -6.508 1.176 287 HB2 SER 40 HB2 SER 40 9.924 -8.163 -0.020 288 HB3 SER 40 HB1 SER 40 10.907 -6.708 0.115 289 H LEU 41 HN LEU 41 10.228 -7.857 4.022 290 HA LEU 41 HA LEU 41 7.973 -9.640 4.060 291 HB2 LEU 41 HB2 LEU 41 8.918 -10.734 6.075 292 HB3 LEU 41 HB1 LEU 41 9.953 -10.817 4.682 293 HG LEU 41 HG LEU 41 11.280 -8.927 5.736 294 HD11 LEU 41 HD11 LEU 41 9.620 -8.210 7.379 295 HD12 LEU 41 HD12 LEU 41 11.109 -8.706 8.185 296 HD13 LEU 41 HD13 LEU 41 9.703 -9.778 8.179 297 HD21 LEU 41 HD21 LEU 41 12.502 -10.479 7.191 298 HD22 LEU 41 HD22 LEU 41 12.061 -11.212 5.650 299 HD23 LEU 41 HD23 LEU 41 11.148 -11.605 7.105 300 H SER 42 HN SER 42 9.200 -6.954 5.922 301 HA SER 42 HA SER 42 7.144 -6.962 7.855 302 HB2 SER 42 HB2 SER 42 8.957 -4.685 7.051 303 HB3 SER 42 HB1 SER 42 7.929 -4.720 8.474 304 HG SER 42 HG SER 42 9.017 -6.592 9.138 305 H MET 43 HN MET 43 6.998 -6.122 4.685 306 HA MET 43 HA MET 43 5.397 -3.908 4.754 307 HB2 MET 43 HB2 MET 43 4.525 -4.705 2.435 308 HB3 MET 43 HB1 MET 43 6.204 -4.248 2.636 309 HG2 MET 43 HG2 MET 43 5.846 -6.254 1.265 310 HG3 MET 43 HG1 MET 43 6.908 -6.497 2.641 311 HE1 MET 43 HE1 MET 43 2.984 -6.388 2.280 312 HE2 MET 43 HE2 MET 43 2.639 -8.133 2.285 313 HE3 MET 43 HE3 MET 43 3.539 -7.428 0.952 314 H VAL 44 HN VAL 44 4.462 -7.111 5.555 315 HA VAL 44 HA VAL 44 1.700 -6.909 5.092 316 HB VAL 44 HB VAL 44 3.107 -8.429 7.331 317 HG11 VAL 44 HG11 VAL 44 0.722 -8.152 7.811 318 HG12 VAL 44 HG12 VAL 44 1.093 -9.829 7.410 319 HG13 VAL 44 HG13 VAL 44 0.321 -8.786 6.215 320 HG21 VAL 44 HG21 VAL 44 3.867 -9.092 5.116 321 HG22 VAL 44 HG22 VAL 44 2.194 -9.340 4.610 322 HG23 VAL 44 HG23 VAL 44 2.900 -10.370 5.855 323 H GLU 45 HN GLU 45 3.732 -5.524 7.517 324 HA GLU 45 HA GLU 45 1.642 -4.835 9.297 325 HB2 GLU 45 HB2 GLU 45 4.473 -3.817 9.112 326 HB3 GLU 45 HB1 GLU 45 3.391 -3.520 10.466 327 HG2 GLU 45 HG2 GLU 45 3.226 -5.983 10.787 328 HG3 GLU 45 HG1 GLU 45 4.424 -6.182 9.521 329 H VAL 46 HN VAL 46 3.118 -3.278 6.518 330 HA VAL 46 HA VAL 46 1.778 -0.798 7.081 331 HB VAL 46 HB VAL 46 3.866 -0.700 5.673 332 HG11 VAL 46 HG11 VAL 46 3.758 -1.303 3.344 333 HG12 VAL 46 HG12 VAL 46 2.123 -1.950 3.681 334 HG13 VAL 46 HG13 VAL 46 3.530 -2.659 4.478 335 HG21 VAL 46 HG21 VAL 46 3.071 0.901 3.976 336 HG22 VAL 46 HG22 VAL 46 2.318 1.197 5.537 337 HG23 VAL 46 HG23 VAL 46 1.414 0.391 4.268 338 H VAL 47 HN VAL 47 1.053 -3.700 5.427 339 HA VAL 47 HA VAL 47 -1.289 -2.834 4.057 340 HB VAL 47 HB VAL 47 -0.689 -5.592 5.189 341 HG11 VAL 47 HG11 VAL 47 -2.521 -4.729 2.954 342 HG12 VAL 47 HG12 VAL 47 -3.017 -5.306 4.546 343 HG13 VAL 47 HG13 VAL 47 -2.192 -6.395 3.431 344 HG21 VAL 47 HG21 VAL 47 1.115 -4.858 3.740 345 HG22 VAL 47 HG22 VAL 47 -0.047 -4.453 2.477 346 HG23 VAL 47 HG23 VAL 47 0.176 -6.134 2.966 347 H VAL 48 HN VAL 48 -0.898 -4.561 7.151 348 HA VAL 48 HA VAL 48 -3.547 -4.481 7.981 349 HB VAL 48 HB VAL 48 -1.067 -4.384 9.741 350 HG11 VAL 48 HG11 VAL 48 -2.470 -5.364 11.499 351 HG12 VAL 48 HG12 VAL 48 -3.882 -5.224 10.451 352 HG13 VAL 48 HG13 VAL 48 -3.057 -3.772 11.019 353 HG21 VAL 48 HG21 VAL 48 -2.694 -6.727 8.763 354 HG22 VAL 48 HG22 VAL 48 -1.349 -6.816 9.898 355 HG23 VAL 48 HG23 VAL 48 -1.069 -6.290 8.237 356 H ALA 49 HN ALA 49 -1.128 -1.952 8.226 357 HA ALA 49 HA ALA 49 -2.892 -0.300 9.811 358 HB1 ALA 49 HB1 ALA 49 -0.190 0.370 8.661 359 HB2 ALA 49 HB2 ALA 49 -0.489 -0.268 10.278 360 HB3 ALA 49 HB3 ALA 49 -1.091 1.331 9.833 361 H ALA 50 HN ALA 50 -2.049 -0.708 6.470 362 HA ALA 50 HA ALA 50 -3.144 1.738 5.547 363 HB1 ALA 50 HB1 ALA 50 -1.654 0.400 4.137 364 HB2 ALA 50 HB2 ALA 50 -3.216 0.631 3.347 365 HB3 ALA 50 HB3 ALA 50 -2.836 -0.911 4.118 366 H GLU 51 HN GLU 51 -4.358 -1.494 6.138 367 HA GLU 51 HA GLU 51 -6.964 -1.181 5.270 368 HB2 GLU 51 HB2 GLU 51 -6.023 -2.704 7.706 369 HB3 GLU 51 HB1 GLU 51 -7.591 -2.884 6.940 370 HG2 GLU 51 HG2 GLU 51 -6.439 -3.705 4.899 371 HG3 GLU 51 HG1 GLU 51 -4.916 -3.605 5.790 372 H GLU 52 HN GLU 52 -5.440 -0.496 8.297 373 HA GLU 52 HA GLU 52 -7.548 0.474 9.853 374 HB2 GLU 52 HB2 GLU 52 -5.305 -0.253 10.596 375 HB3 GLU 52 HB1 GLU 52 -4.620 1.187 9.876 376 HG2 GLU 52 HG2 GLU 52 -5.967 2.533 11.456 377 HG3 GLU 52 HG1 GLU 52 -6.481 1.024 12.217 378 H ARG 53 HN ARG 53 -5.549 1.967 7.419 379 HA ARG 53 HA ARG 53 -6.246 4.682 8.081 380 HB2 ARG 53 HB2 ARG 53 -4.006 4.211 7.295 381 HB3 ARG 53 HB1 ARG 53 -4.647 3.536 5.808 382 HG2 ARG 53 HG2 ARG 53 -3.776 5.705 5.327 383 HG3 ARG 53 HG1 ARG 53 -5.529 5.782 5.220 384 HD2 ARG 53 HD2 ARG 53 -3.882 6.693 7.585 385 HD3 ARG 53 HD1 ARG 53 -4.511 7.753 6.333 386 HE ARG 53 HE ARG 53 -6.713 6.468 7.325 387 HH11 ARG 53 HH11 ARG 53 -4.172 8.547 8.686 388 HH12 ARG 53 HH12 ARG 53 -5.125 9.104 9.969 389 HH21 ARG 53 HH21 ARG 53 -8.005 7.186 9.158 390 HH22 ARG 53 HH22 ARG 53 -7.320 8.301 10.259 391 H PHE 54 HN PHE 54 -6.891 2.510 5.333 392 HA PHE 54 HA PHE 54 -8.588 4.571 4.096 393 HB2 PHE 54 HB2 PHE 54 -8.074 1.798 3.037 394 HB3 PHE 54 HB1 PHE 54 -8.625 3.214 2.152 395 HD1 PHE 54 HD1 PHE 54 -6.828 5.280 2.717 396 HD2 PHE 54 HD2 PHE 54 -6.063 1.133 2.383 397 HE1 PHE 54 HE1 PHE 54 -4.510 5.786 2.128 398 HE2 PHE 54 HE2 PHE 54 -3.699 1.624 1.788 399 HZ PHE 54 HZ PHE 54 -2.932 3.962 1.676 400 H ASP 55 HN ASP 55 -8.937 2.117 6.259 401 HA ASP 55 HA ASP 55 -10.571 0.898 7.141 402 HB2 ASP 55 HB2 ASP 55 -11.991 3.027 6.884 403 HB3 ASP 55 HB1 ASP 55 -12.557 2.329 5.363 404 H VAL 56 HN VAL 56 -9.210 0.436 4.645 405 HA VAL 56 HA VAL 56 -10.950 -1.219 3.066 406 HB VAL 56 HB VAL 56 -8.960 0.106 2.120 407 HG11 VAL 56 HG11 VAL 56 -7.352 -2.141 3.266 408 HG12 VAL 56 HG12 VAL 56 -7.222 -0.423 3.679 409 HG13 VAL 56 HG13 VAL 56 -6.781 -1.001 2.063 410 HG21 VAL 56 HG21 VAL 56 -9.112 -2.816 1.430 411 HG22 VAL 56 HG22 VAL 56 -8.355 -1.570 0.439 412 HG23 VAL 56 HG23 VAL 56 -10.092 -1.519 0.745 413 H LYS 57 HN LYS 57 -10.172 -3.488 2.664 414 HA LYS 57 HA LYS 57 -9.021 -4.728 5.028 415 HB2 LYS 57 HB2 LYS 57 -11.614 -5.675 3.719 416 HB3 LYS 57 HB1 LYS 57 -10.643 -6.664 4.787 417 HG2 LYS 57 HG2 LYS 57 -12.465 -5.872 6.081 418 HG3 LYS 57 HG1 LYS 57 -11.066 -4.939 6.595 419 HD2 LYS 57 HD2 LYS 57 -11.817 -3.066 5.191 420 HD3 LYS 57 HD1 LYS 57 -13.213 -4.013 4.679 421 HE2 LYS 57 HE2 LYS 57 -13.982 -4.109 7.026 422 HE3 LYS 57 HE1 LYS 57 -12.598 -3.130 7.506 423 HZ1 LYS 57 HZ1 LYS 57 -13.434 -1.332 6.098 424 HZ2 LYS 57 HZ2 LYS 57 -14.629 -1.745 7.214 425 HZ3 LYS 57 HZ3 LYS 57 -14.746 -2.257 5.628 426 H ILE 58 HN ILE 58 -7.269 -5.527 4.227 427 HA ILE 58 HA ILE 58 -7.415 -7.069 1.768 428 HB ILE 58 HB ILE 58 -5.213 -5.013 2.227 429 HG12 ILE 58 HG12 ILE 58 -7.450 -4.961 0.186 430 HG13 ILE 58 HG11 ILE 58 -7.334 -3.911 1.592 431 HG21 ILE 58 HG21 ILE 58 -4.498 -5.633 -0.034 432 HG22 ILE 58 HG22 ILE 58 -5.832 -6.774 -0.137 433 HG23 ILE 58 HG23 ILE 58 -4.525 -7.056 1.022 434 HD11 ILE 58 HD11 ILE 58 -5.287 -2.944 0.702 435 HD12 ILE 58 HD12 ILE 58 -6.631 -2.767 -0.426 436 HD13 ILE 58 HD13 ILE 58 -5.398 -4.000 -0.706 437 HA PRO 59 HA PRO 59 -5.120 -9.398 4.825 438 HB2 PRO 59 HB2 PRO 59 -5.466 -11.682 3.077 439 HB3 PRO 59 HB1 PRO 59 -6.221 -11.354 4.647 440 HG2 PRO 59 HG2 PRO 59 -7.546 -11.394 2.237 441 HG3 PRO 59 HG1 PRO 59 -8.117 -10.598 3.712 442 HD2 PRO 59 HD2 PRO 59 -6.849 -9.436 1.296 443 HD3 PRO 59 HD1 PRO 59 -8.062 -8.745 2.390 444 H ASP 60 HN ASP 60 -3.154 -10.860 4.607 445 HA ASP 60 HA ASP 60 -1.352 -9.566 2.814 446 HB2 ASP 60 HB2 ASP 60 0.448 -10.814 3.758 447 HB3 ASP 60 HB1 ASP 60 -0.612 -10.387 5.095 448 H ASP 61 HN ASP 61 -3.304 -12.304 2.631 449 HA ASP 61 HA ASP 61 -2.070 -13.831 0.635 450 HB2 ASP 61 HB2 ASP 61 -4.122 -14.475 1.863 451 HB3 ASP 61 HB1 ASP 61 -5.013 -13.245 0.975 452 H ASP 62 HN ASP 62 -4.250 -11.088 0.398 453 HA ASP 62 HA ASP 62 -4.348 -10.935 -2.427 454 HB2 ASP 62 HB2 ASP 62 -5.097 -9.092 -0.205 455 HB3 ASP 62 HB1 ASP 62 -5.080 -8.502 -1.860 456 H VAL 63 HN VAL 63 -2.394 -9.293 -0.004 457 HA VAL 63 HA VAL 63 -1.431 -7.305 -1.719 458 HB VAL 63 HB VAL 63 -1.407 -7.129 0.753 459 HG11 VAL 63 HG11 VAL 63 1.012 -8.885 0.600 460 HG12 VAL 63 HG12 VAL 63 -0.544 -9.298 1.316 461 HG13 VAL 63 HG13 VAL 63 0.447 -8.021 2.031 462 HG21 VAL 63 HG21 VAL 63 0.749 -5.934 0.918 463 HG22 VAL 63 HG22 VAL 63 -0.218 -5.515 -0.486 464 HG23 VAL 63 HG23 VAL 63 1.179 -6.587 -0.666 465 H LYS 64 HN LYS 64 -0.442 -10.562 -1.462 466 HA LYS 64 HA LYS 64 2.281 -10.360 -2.211 467 HB2 LYS 64 HB2 LYS 64 0.435 -12.667 -2.821 468 HB3 LYS 64 HB1 LYS 64 2.185 -12.715 -2.691 469 HG2 LYS 64 HG2 LYS 64 1.980 -12.133 -0.318 470 HG3 LYS 64 HG1 LYS 64 0.228 -12.194 -0.487 471 HD2 LYS 64 HD2 LYS 64 0.474 -14.574 -1.237 472 HD3 LYS 64 HD1 LYS 64 2.185 -14.464 -0.805 473 HE2 LYS 64 HE2 LYS 64 -0.168 -14.074 1.049 474 HE3 LYS 64 HE1 LYS 64 0.929 -15.453 1.025 475 HZ1 LYS 64 HZ1 LYS 64 1.315 -13.720 2.775 476 HZ2 LYS 64 HZ2 LYS 64 1.861 -12.691 1.532 477 HZ3 LYS 64 HZ3 LYS 64 2.669 -14.121 1.842 478 H ASN 65 HN ASN 65 -0.443 -9.625 -3.969 479 HA ASN 65 HA ASN 65 0.748 -10.405 -6.546 480 HB2 ASN 65 HB2 ASN 65 -2.142 -9.808 -5.887 481 HB3 ASN 65 HB1 ASN 65 -1.525 -10.320 -7.454 482 HD21 ASN 65 HD21 ASN 65 -3.461 -11.545 -5.551 483 HD22 ASN 65 HD22 ASN 65 -2.847 -13.138 -5.266 484 H LEU 66 HN LEU 66 0.693 -7.802 -4.612 485 HA LEU 66 HA LEU 66 -0.219 -5.831 -6.502 486 HB2 LEU 66 HB2 LEU 66 1.013 -5.638 -3.779 487 HB3 LEU 66 HB1 LEU 66 0.738 -4.208 -4.733 488 HG LEU 66 HG LEU 66 -1.362 -6.125 -3.697 489 HD11 LEU 66 HD11 LEU 66 -0.362 -4.608 -2.043 490 HD12 LEU 66 HD12 LEU 66 -2.067 -4.260 -2.339 491 HD13 LEU 66 HD13 LEU 66 -0.819 -3.233 -3.047 492 HD21 LEU 66 HD21 LEU 66 -1.990 -5.267 -5.894 493 HD22 LEU 66 HD22 LEU 66 -1.687 -3.618 -5.341 494 HD23 LEU 66 HD23 LEU 66 -2.995 -4.561 -4.628 495 H LYS 67 HN LYS 67 1.122 -4.040 -7.156 496 HA LYS 67 HA LYS 67 3.916 -4.813 -7.546 497 HB2 LYS 67 HB2 LYS 67 3.844 -4.223 -9.927 498 HB3 LYS 67 HB1 LYS 67 2.614 -5.429 -9.593 499 HG2 LYS 67 HG2 LYS 67 0.937 -3.568 -9.508 500 HG3 LYS 67 HG1 LYS 67 2.206 -2.477 -10.032 501 HD2 LYS 67 HD2 LYS 67 0.939 -4.750 -11.561 502 HD3 LYS 67 HD1 LYS 67 0.926 -3.002 -11.863 503 HE2 LYS 67 HE2 LYS 67 3.367 -4.783 -12.059 504 HE3 LYS 67 HE1 LYS 67 2.413 -4.234 -13.427 505 HZ1 LYS 67 HZ1 LYS 67 4.121 -2.594 -11.629 506 HZ2 LYS 67 HZ2 LYS 67 2.963 -1.926 -12.680 507 HZ3 LYS 67 HZ3 LYS 67 4.232 -2.785 -13.305 508 H THR 68 HN THR 68 1.676 -2.063 -8.185 509 HA THR 68 HA THR 68 3.684 -0.204 -7.138 510 HB THR 68 HB THR 68 2.575 1.417 -8.692 511 HG1 THR 68 HG1 THR 68 1.294 0.475 -10.385 512 HG21 THR 68 HG21 THR 68 4.692 0.347 -9.371 513 HG22 THR 68 HG22 THR 68 3.641 0.616 -10.762 514 HG23 THR 68 HG23 THR 68 3.785 -1.000 -10.062 515 H VAL 69 HN VAL 69 2.303 1.945 -6.689 516 HA VAL 69 HA VAL 69 0.033 1.042 -5.221 517 HB VAL 69 HB VAL 69 -0.239 3.152 -4.192 518 HG11 VAL 69 HG11 VAL 69 2.680 2.578 -4.401 519 HG12 VAL 69 HG12 VAL 69 1.504 1.875 -3.280 520 HG13 VAL 69 HG13 VAL 69 1.903 3.591 -3.175 521 HG21 VAL 69 HG21 VAL 69 1.734 4.282 -6.130 522 HG22 VAL 69 HG22 VAL 69 1.041 5.128 -4.743 523 HG23 VAL 69 HG23 VAL 69 0.002 4.599 -6.066 524 H GLY 70 HN GLY 70 0.582 1.958 -8.338 525 HA2 GLY 70 HA2 GLY 70 -1.815 3.372 -8.888 526 HA3 GLY 70 HA1 GLY 70 -0.822 2.492 -10.054 527 H ASP 71 HN ASP 71 -0.777 0.029 -9.158 528 HA ASP 71 HA ASP 71 -3.308 -1.075 -9.806 529 HB2 ASP 71 HB2 ASP 71 -1.050 -2.303 -9.996 530 HB3 ASP 71 HB1 ASP 71 -1.137 -2.459 -8.237 531 H ALA 72 HN ALA 72 -1.547 -0.572 -6.801 532 HA ALA 72 HA ALA 72 -3.358 -1.780 -5.065 533 HB1 ALA 72 HB1 ALA 72 -2.237 -0.697 -3.271 534 HB2 ALA 72 HB2 ALA 72 -1.574 0.518 -4.351 535 HB3 ALA 72 HB3 ALA 72 -1.031 -1.161 -4.473 536 H THR 73 HN THR 73 -3.289 1.566 -6.232 537 HA THR 73 HA THR 73 -5.208 2.559 -4.509 538 HB THR 73 HB THR 73 -4.614 3.352 -7.378 539 HG1 THR 73 HG1 THR 73 -2.914 3.692 -5.923 540 HG21 THR 73 HG21 THR 73 -5.755 5.477 -6.874 541 HG22 THR 73 HG22 THR 73 -6.224 4.855 -5.293 542 HG23 THR 73 HG23 THR 73 -6.874 4.119 -6.759 543 H LYS 74 HN LYS 74 -5.710 1.361 -7.846 544 HA LYS 74 HA LYS 74 -8.513 1.344 -7.855 545 HB2 LYS 74 HB2 LYS 74 -6.476 -0.299 -9.327 546 HB3 LYS 74 HB1 LYS 74 -8.186 -0.618 -9.518 547 HG2 LYS 74 HG2 LYS 74 -7.381 0.722 -11.323 548 HG3 LYS 74 HG1 LYS 74 -8.510 1.649 -10.339 549 HD2 LYS 74 HD2 LYS 74 -6.647 2.832 -9.301 550 HD3 LYS 74 HD1 LYS 74 -5.500 1.851 -10.214 551 HE2 LYS 74 HE2 LYS 74 -5.809 4.036 -11.260 552 HE3 LYS 74 HE1 LYS 74 -6.371 2.737 -12.306 553 HZ1 LYS 74 HZ1 LYS 74 -8.681 3.251 -11.496 554 HZ2 LYS 74 HZ2 LYS 74 -7.957 4.416 -12.408 555 HZ3 LYS 74 HZ3 LYS 74 -8.034 4.626 -10.719 556 H TYR 75 HN TYR 75 -6.202 -0.984 -6.781 557 HA TYR 75 HA TYR 75 -7.811 -3.179 -6.328 558 HB2 TYR 75 HB2 TYR 75 -5.265 -2.869 -6.321 559 HB3 TYR 75 HB1 TYR 75 -5.468 -2.404 -4.642 560 HD1 TYR 75 HD2 TYR 75 -6.133 -3.938 -3.025 561 HD2 TYR 75 HD1 TYR 75 -5.570 -5.160 -7.037 562 HE1 TYR 75 HE2 TYR 75 -6.146 -6.199 -2.284 563 HE2 TYR 75 HE1 TYR 75 -5.567 -7.486 -6.373 564 HH TYR 75 HH TYR 75 -5.140 -8.844 -4.146 565 H ILE 76 HN ILE 76 -6.580 -0.722 -4.076 566 HA ILE 76 HA ILE 76 -8.027 -1.524 -1.824 567 HB ILE 76 HB ILE 76 -6.762 1.135 -2.543 568 HG12 ILE 76 HG12 ILE 76 -5.881 -1.044 -0.634 569 HG13 ILE 76 HG11 ILE 76 -5.285 -0.850 -2.271 570 HG21 ILE 76 HG21 ILE 76 -7.891 0.299 0.133 571 HG22 ILE 76 HG22 ILE 76 -8.554 1.527 -0.944 572 HG23 ILE 76 HG23 ILE 76 -6.974 1.778 -0.188 573 HD11 ILE 76 HD11 ILE 76 -4.343 1.316 -1.669 574 HD12 ILE 76 HD12 ILE 76 -3.719 0.020 -0.646 575 HD13 ILE 76 HD13 ILE 76 -4.951 1.121 -0.026 576 H LEU 77 HN LEU 77 -8.746 0.812 -4.366 577 HA LEU 77 HA LEU 77 -11.027 1.929 -3.336 578 HB2 LEU 77 HB2 LEU 77 -10.354 1.276 -6.200 579 HB3 LEU 77 HB1 LEU 77 -11.783 2.178 -5.753 580 HG LEU 77 HG LEU 77 -8.955 3.071 -5.182 581 HD11 LEU 77 HD11 LEU 77 -9.404 2.990 -7.581 582 HD12 LEU 77 HD12 LEU 77 -9.317 4.657 -7.009 583 HD13 LEU 77 HD13 LEU 77 -10.884 3.921 -7.341 584 HD21 LEU 77 HD21 LEU 77 -10.621 3.972 -3.638 585 HD22 LEU 77 HD22 LEU 77 -11.602 4.509 -5.002 586 HD23 LEU 77 HD23 LEU 77 -10.014 5.224 -4.720 587 H ASP 78 HN ASP 78 -10.620 -1.100 -5.056 588 HA ASP 78 HA ASP 78 -13.477 -1.652 -5.092 589 HB2 ASP 78 HB2 ASP 78 -11.979 -2.193 -7.024 590 HB3 ASP 78 HB1 ASP 78 -11.202 -3.410 -6.017 591 H HIS 79 HN HIS 79 -10.625 -2.636 -3.378 592 HA HIS 79 HA HIS 79 -11.860 -4.943 -2.112 593 HB2 HIS 79 HB2 HIS 79 -9.273 -4.271 -2.767 594 HB3 HIS 79 HB1 HIS 79 -9.308 -4.017 -1.029 595 HD1 HIS 79 HD1 HIS 79 -9.810 -6.208 0.462 596 HD2 HIS 79 HD2 HIS 79 -9.245 -6.883 -3.595 597 HE1 HIS 79 HE1 HIS 79 -9.375 -8.633 0.239 598 HE2 HIS 79 HE2 HIS 79 -8.627 -8.892 -2.127 599 H GLN 80 HN GLN 80 -12.208 -1.725 -1.525 600 HA GLN 80 HA GLN 80 -11.970 -1.985 1.342 601 HB2 GLN 80 HB2 GLN 80 -12.463 0.428 1.504 602 HB3 GLN 80 HB1 GLN 80 -11.131 0.102 0.415 603 HG2 GLN 80 HG2 GLN 80 -12.762 0.369 -1.484 604 HG3 GLN 80 HG1 GLN 80 -13.948 0.896 -0.304 605 HE21 GLN 80 HE21 GLN 80 -10.500 1.710 -0.306 606 HE22 GLN 80 HE22 GLN 80 -10.745 3.398 -0.604 607 H ALA 81 HN ALA 81 -13.455 -2.868 2.430 608 HA ALA 81 HA ALA 81 -16.221 -2.282 1.782 609 HB1 ALA 81 HB1 ALA 81 -15.709 -4.440 0.748 610 HB2 ALA 81 HB2 ALA 81 -16.815 -4.641 2.108 611 HB3 ALA 81 HB3 ALA 81 -15.107 -5.044 2.293 612 H2 SOO 101 H2A SOO 101 4.296 -6.171 -0.265 613 H3 SOO 101 H3A SOO 101 2.939 -3.841 -1.769 614 H4 SOO 101 H4A SOO 101 3.141 -4.544 1.162 615 H4A SOO 101 H4B SOO 101 4.482 -3.554 0.596 616 H5 SOO 101 H5A SOO 101 2.844 -1.868 -0.194 617 H5A SOO 101 H5B SOO 101 2.811 -2.122 1.553 618 H6 SOO 101 H6A SOO 101 0.878 -3.633 1.261 619 H6A SOO 101 H6B SOO 101 0.880 -3.261 -0.463 620 H7 SOO 101 H7A SOO 101 0.460 -0.906 0.021 621 H7A SOO 101 H7B SOO 101 0.487 -1.257 1.762 622 H8 SOO 101 H8C SOO 101 -1.422 -2.762 1.463 623 H8A SOO 101 H8A SOO 101 -1.434 -2.406 -0.264 624 H8B SOO 101 H8B SOO 101 -1.802 -1.133 0.904 625 H28 SOO 101 H28A SOO 101 11.334 -11.775 1.367 626 H28A SOO 101 H28B SOO 101 10.034 -10.589 1.540 627 H30 SOO 101 H30A SOO 101 8.028 -10.713 0.113 628 H30A SOO 101 H30B SOO 101 7.870 -11.968 -1.115 629 H30B SOO 101 H30C SOO 101 9.057 -10.678 -1.319 630 H31 SOO 101 H31A SOO 101 9.688 -13.666 -1.406 631 H31A SOO 101 H31B SOO 101 11.132 -13.572 -0.396 632 H31B SOO 101 H31C SOO 101 10.835 -12.343 -1.625 633 H32 SOO 101 H32A SOO 101 8.220 -13.802 0.638 634 HO33 SOO 101 H33A SOO 101 10.082 -13.632 2.622 635 HN36 SOO 101 H36A SOO 101 6.782 -11.758 1.132 636 H37 SOO 101 H37A SOO 101 6.573 -11.377 4.049 637 H37A SOO 101 H37B SOO 101 6.539 -10.021 2.945 638 H38 SOO 101 H38A SOO 101 4.486 -12.205 3.099 639 H38A SOO 101 H38B SOO 101 4.336 -10.450 3.434 640 HN41 SOO 101 H41A SOO 101 5.820 -9.748 1.181 641 H42 SOO 101 H42A SOO 101 5.644 -10.171 -1.318 642 H42A SOO 101 H42B SOO 101 3.910 -10.284 -1.035 643 H43 SOO 101 H43A SOO 101 5.605 -7.819 -0.648 644 H43A SOO 101 H43B SOO 101 3.869 -7.943 -0.328 Start of MODEL 18 1 H1 ALA 1 HT1 ALA 1 -13.701 4.236 4.199 2 H2 ALA 1 HT2 ALA 1 -12.611 3.077 3.665 3 H3 ALA 1 HT3 ALA 1 -14.312 2.804 3.519 4 HA ALA 1 HA ALA 1 -13.379 3.400 1.405 5 HB1 ALA 1 HB1 ALA 1 -15.659 4.103 1.954 6 HB2 ALA 1 HB2 ALA 1 -14.848 5.285 0.926 7 HB3 ALA 1 HB3 ALA 1 -15.030 5.597 2.652 8 H ALA 2 HN ALA 2 -12.171 4.818 0.159 9 HA ALA 2 HA ALA 2 -10.985 7.186 1.167 10 HB1 ALA 2 HB1 ALA 2 -9.222 4.748 0.839 11 HB2 ALA 2 HB2 ALA 2 -9.568 5.572 2.359 12 HB3 ALA 2 HB3 ALA 2 -8.653 6.397 1.097 13 H THR 3 HN THR 3 -10.348 8.383 -0.594 14 HA THR 3 HA THR 3 -10.912 7.243 -3.164 15 HB THR 3 HB THR 3 -10.588 9.577 -3.939 16 HG1 THR 3 HG1 THR 3 -9.863 11.105 -2.577 17 HG21 THR 3 HG21 THR 3 -12.468 10.572 -2.714 18 HG22 THR 3 HG22 THR 3 -12.296 9.350 -1.453 19 HG23 THR 3 HG23 THR 3 -12.788 8.876 -3.078 20 H GLN 4 HN GLN 4 -9.184 8.395 -4.908 21 HA GLN 4 HA GLN 4 -6.885 6.874 -4.637 22 HB2 GLN 4 HB2 GLN 4 -7.476 7.323 -6.830 23 HB3 GLN 4 HB1 GLN 4 -7.772 9.013 -6.536 24 HG2 GLN 4 HG2 GLN 4 -4.980 7.975 -6.361 25 HG3 GLN 4 HG1 GLN 4 -5.703 8.237 -7.951 26 HE21 GLN 4 HE21 GLN 4 -3.472 9.636 -6.578 27 HE22 GLN 4 HE22 GLN 4 -3.921 11.297 -6.551 28 H GLU 5 HN GLU 5 -7.370 10.315 -4.110 29 HA GLU 5 HA GLU 5 -4.717 10.911 -3.445 30 HB2 GLU 5 HB2 GLU 5 -7.228 12.226 -2.444 31 HB3 GLU 5 HB1 GLU 5 -5.605 12.863 -2.246 32 HG2 GLU 5 HG2 GLU 5 -5.406 12.969 -4.707 33 HG3 GLU 5 HG1 GLU 5 -7.095 12.462 -4.822 34 H GLU 6 HN GLU 6 -7.388 9.761 -1.460 35 HA GLU 6 HA GLU 6 -6.123 10.087 1.031 36 HB2 GLU 6 HB2 GLU 6 -8.258 8.125 0.207 37 HB3 GLU 6 HB1 GLU 6 -7.810 8.515 1.859 38 HG2 GLU 6 HG2 GLU 6 -8.993 10.412 -0.148 39 HG3 GLU 6 HG1 GLU 6 -9.850 9.646 1.186 40 H ILE 7 HN ILE 7 -6.350 7.413 -1.234 41 HA ILE 7 HA ILE 7 -4.891 5.524 0.226 42 HB ILE 7 HB ILE 7 -5.260 5.856 -2.767 43 HG12 ILE 7 HG12 ILE 7 -6.596 3.987 -0.800 44 HG13 ILE 7 HG11 ILE 7 -7.300 5.492 -1.379 45 HG21 ILE 7 HG21 ILE 7 -3.262 4.506 -2.332 46 HG22 ILE 7 HG22 ILE 7 -4.565 3.502 -2.969 47 HG23 ILE 7 HG23 ILE 7 -4.188 3.467 -1.247 48 HD11 ILE 7 HD11 ILE 7 -8.216 3.574 -2.538 49 HD12 ILE 7 HD12 ILE 7 -6.600 3.101 -3.060 50 HD13 ILE 7 HD13 ILE 7 -7.311 4.603 -3.647 51 H VAL 8 HN VAL 8 -3.796 7.505 -2.502 52 HA VAL 8 HA VAL 8 -1.103 6.790 -2.426 53 HB VAL 8 HB VAL 8 -2.329 9.386 -3.396 54 HG11 VAL 8 HG11 VAL 8 0.097 9.576 -3.170 55 HG12 VAL 8 HG12 VAL 8 -0.380 9.540 -4.870 56 HG13 VAL 8 HG13 VAL 8 0.307 8.101 -4.115 57 HG21 VAL 8 HG21 VAL 8 -2.360 8.275 -5.581 58 HG22 VAL 8 HG22 VAL 8 -3.351 7.431 -4.393 59 HG23 VAL 8 HG23 VAL 8 -1.770 6.794 -4.826 60 H ALA 9 HN ALA 9 -2.588 9.735 -1.041 61 HA ALA 9 HA ALA 9 -0.155 10.668 0.090 62 HB1 ALA 9 HB1 ALA 9 -2.976 11.388 0.876 63 HB2 ALA 9 HB2 ALA 9 -2.044 12.159 -0.405 64 HB3 ALA 9 HB3 ALA 9 -1.519 12.302 1.276 65 H GLY 10 HN GLY 10 -2.875 8.843 1.461 66 HA2 GLY 10 HA2 GLY 10 -2.004 8.806 4.141 67 HA3 GLY 10 HA1 GLY 10 -3.107 7.671 3.384 68 H LEU 11 HN LEU 11 -1.532 6.506 1.464 69 HA LEU 11 HA LEU 11 -0.236 4.474 2.705 70 HB2 LEU 11 HB2 LEU 11 -0.375 5.542 0.029 71 HB3 LEU 11 HB1 LEU 11 1.138 4.718 0.324 72 HG LEU 11 HG LEU 11 -1.629 3.549 0.716 73 HD11 LEU 11 HD11 LEU 11 -1.091 2.183 -1.220 74 HD12 LEU 11 HD12 LEU 11 0.443 3.044 -1.408 75 HD13 LEU 11 HD13 LEU 11 -1.083 3.898 -1.630 76 HD21 LEU 11 HD21 LEU 11 1.099 2.286 0.924 77 HD22 LEU 11 HD22 LEU 11 -0.446 1.445 1.091 78 HD23 LEU 11 HD23 LEU 11 0.037 2.667 2.272 79 H ALA 12 HN ALA 12 1.179 7.427 1.475 80 HA ALA 12 HA ALA 12 3.825 6.628 1.942 81 HB1 ALA 12 HB1 ALA 12 2.732 9.407 1.754 82 HB2 ALA 12 HB2 ALA 12 3.266 8.371 0.411 83 HB3 ALA 12 HB3 ALA 12 4.424 8.898 1.640 84 H GLU 13 HN GLU 13 1.451 8.110 4.039 85 HA GLU 13 HA GLU 13 3.345 8.881 6.027 86 HB2 GLU 13 HB2 GLU 13 0.387 8.343 6.357 87 HB3 GLU 13 HB1 GLU 13 1.411 9.255 7.458 88 HG2 GLU 13 HG2 GLU 13 1.795 10.898 5.636 89 HG3 GLU 13 HG1 GLU 13 0.616 10.020 4.664 90 H ILE 14 HN ILE 14 1.177 6.143 5.569 91 HA ILE 14 HA ILE 14 1.982 4.705 7.878 92 HB ILE 14 HB ILE 14 0.586 3.821 5.327 93 HG12 ILE 14 HG12 ILE 14 -1.279 3.227 6.911 94 HG13 ILE 14 HG11 ILE 14 -0.331 3.917 8.214 95 HG21 ILE 14 HG21 ILE 14 1.953 1.935 5.937 96 HG22 ILE 14 HG22 ILE 14 0.256 1.585 6.257 97 HG23 ILE 14 HG23 ILE 14 1.340 1.991 7.588 98 HD11 ILE 14 HD11 ILE 14 -0.470 6.100 7.147 99 HD12 ILE 14 HD12 ILE 14 -2.074 5.420 7.446 100 HD13 ILE 14 HD13 ILE 14 -1.384 5.384 5.820 101 H VAL 15 HN VAL 15 3.072 4.610 4.530 102 HA VAL 15 HA VAL 15 5.008 2.639 4.853 103 HB VAL 15 HB VAL 15 4.811 4.892 2.835 104 HG11 VAL 15 HG11 VAL 15 7.151 4.323 3.111 105 HG12 VAL 15 HG12 VAL 15 6.551 3.760 1.550 106 HG13 VAL 15 HG13 VAL 15 6.790 2.612 2.878 107 HG21 VAL 15 HG21 VAL 15 3.121 3.143 2.675 108 HG22 VAL 15 HG22 VAL 15 4.384 1.913 2.623 109 HG23 VAL 15 HG23 VAL 15 4.231 3.073 1.304 110 H ASN 16 HN ASN 16 5.064 6.026 5.484 111 HA ASN 16 HA ASN 16 7.874 6.263 5.869 112 HB2 ASN 16 HB2 ASN 16 6.317 8.140 5.332 113 HB3 ASN 16 HB1 ASN 16 5.719 8.042 6.981 114 HD21 ASN 16 HD21 ASN 16 8.398 8.763 4.975 115 HD22 ASN 16 HD22 ASN 16 9.255 9.765 6.101 116 H GLU 17 HN GLU 17 5.167 5.554 7.993 117 HA GLU 17 HA GLU 17 6.822 5.806 10.318 118 HB2 GLU 17 HB2 GLU 17 4.868 5.129 11.624 119 HB3 GLU 17 HB1 GLU 17 4.454 6.392 10.483 120 HG2 GLU 17 HG2 GLU 17 3.523 4.597 8.990 121 HG3 GLU 17 HG1 GLU 17 3.787 3.474 10.322 122 H ILE 18 HN ILE 18 5.570 3.134 8.426 123 HA ILE 18 HA ILE 18 6.667 1.146 10.215 124 HB ILE 18 HB ILE 18 5.365 0.880 7.494 125 HG12 ILE 18 HG12 ILE 18 4.329 0.485 10.314 126 HG13 ILE 18 HG11 ILE 18 3.957 1.824 9.235 127 HG21 ILE 18 HG21 ILE 18 6.051 -1.257 9.540 128 HG22 ILE 18 HG22 ILE 18 6.836 -1.043 7.977 129 HG23 ILE 18 HG23 ILE 18 5.136 -1.512 8.051 130 HD11 ILE 18 HD11 ILE 18 2.820 0.304 7.734 131 HD12 ILE 18 HD12 ILE 18 2.145 0.224 9.362 132 HD13 ILE 18 HD13 ILE 18 3.223 -1.048 8.785 133 H ALA 19 HN ALA 19 7.397 2.169 6.875 134 HA ALA 19 HA ALA 19 9.827 0.547 6.963 135 HB1 ALA 19 HB1 ALA 19 8.420 0.397 4.966 136 HB2 ALA 19 HB2 ALA 19 10.025 1.019 4.584 137 HB3 ALA 19 HB3 ALA 19 8.650 2.120 4.677 138 H GLY 20 HN GLY 20 8.838 3.866 6.385 139 HA2 GLY 20 HA2 GLY 20 10.119 5.695 7.314 140 HA3 GLY 20 HA1 GLY 20 11.566 4.707 7.132 141 H ILE 21 HN ILE 21 9.259 4.718 4.602 142 HA ILE 21 HA ILE 21 11.179 5.956 2.816 143 HB ILE 21 HB ILE 21 8.469 4.675 2.350 144 HG12 ILE 21 HG12 ILE 21 10.222 3.083 2.913 145 HG13 ILE 21 HG11 ILE 21 9.722 2.886 1.238 146 HG21 ILE 21 HG21 ILE 21 10.320 5.757 0.241 147 HG22 ILE 21 HG22 ILE 21 8.732 6.390 0.675 148 HG23 ILE 21 HG23 ILE 21 8.874 4.791 -0.056 149 HD11 ILE 21 HD11 ILE 21 11.706 4.111 0.509 150 HD12 ILE 21 HD12 ILE 21 12.130 2.695 1.468 151 HD13 ILE 21 HD13 ILE 21 12.200 4.304 2.191 152 HA PRO 22 HA PRO 22 9.788 10.151 3.153 153 HB2 PRO 22 HB2 PRO 22 9.961 9.972 0.165 154 HB3 PRO 22 HB1 PRO 22 10.540 11.244 1.250 155 HG2 PRO 22 HG2 PRO 22 12.238 9.469 0.279 156 HG3 PRO 22 HG1 PRO 22 12.356 9.987 1.970 157 HD2 PRO 22 HD2 PRO 22 11.367 7.419 0.843 158 HD3 PRO 22 HD1 PRO 22 12.179 7.741 2.386 159 H VAL 23 HN VAL 23 7.958 11.341 2.992 160 HA VAL 23 HA VAL 23 5.559 9.853 2.371 161 HB VAL 23 HB VAL 23 4.343 11.857 3.299 162 HG11 VAL 23 HG11 VAL 23 5.034 11.484 5.603 163 HG12 VAL 23 HG12 VAL 23 6.501 10.685 5.040 164 HG13 VAL 23 HG13 VAL 23 4.923 9.964 4.717 165 HG21 VAL 23 HG21 VAL 23 5.684 13.560 4.457 166 HG22 VAL 23 HG22 VAL 23 5.996 13.539 2.714 167 HG23 VAL 23 HG23 VAL 23 7.150 12.803 3.818 168 H GLU 24 HN GLU 24 7.480 11.498 0.509 169 HA GLU 24 HA GLU 24 5.374 12.549 -1.287 170 HB2 GLU 24 HB2 GLU 24 7.201 13.914 -2.249 171 HB3 GLU 24 HB1 GLU 24 6.958 14.254 -0.536 172 HG2 GLU 24 HG2 GLU 24 8.867 12.862 0.038 173 HG3 GLU 24 HG1 GLU 24 9.087 12.441 -1.657 174 H ASP 25 HN ASP 25 7.048 9.892 -0.707 175 HA ASP 25 HA ASP 25 8.246 9.570 -3.359 176 HB2 ASP 25 HB2 ASP 25 9.655 9.383 -1.340 177 HB3 ASP 25 HB1 ASP 25 8.722 7.990 -0.834 178 H VAL 26 HN VAL 26 5.571 8.480 -1.481 179 HA VAL 26 HA VAL 26 5.396 6.004 -2.985 180 HB VAL 26 HB VAL 26 3.679 7.000 -0.677 181 HG11 VAL 26 HG11 VAL 26 3.904 4.253 -1.899 182 HG12 VAL 26 HG12 VAL 26 2.540 5.355 -2.075 183 HG13 VAL 26 HG13 VAL 26 2.930 4.679 -0.491 184 HG21 VAL 26 HG21 VAL 26 4.931 5.422 0.725 185 HG22 VAL 26 HG22 VAL 26 5.970 6.679 0.057 186 HG23 VAL 26 HG23 VAL 26 5.988 5.060 -0.641 187 H LYS 27 HN LYS 27 5.004 7.207 -4.920 188 HA LYS 27 HA LYS 27 2.287 8.264 -5.028 189 HB2 LYS 27 HB2 LYS 27 4.648 9.201 -6.677 190 HB3 LYS 27 HB1 LYS 27 2.988 9.788 -6.808 191 HG2 LYS 27 HG2 LYS 27 3.109 10.507 -4.431 192 HG3 LYS 27 HG1 LYS 27 4.818 10.086 -4.446 193 HD2 LYS 27 HD2 LYS 27 4.586 12.447 -4.804 194 HD3 LYS 27 HD1 LYS 27 5.140 11.696 -6.301 195 HE2 LYS 27 HE2 LYS 27 2.898 11.777 -7.210 196 HE3 LYS 27 HE1 LYS 27 2.274 12.407 -5.687 197 HZ1 LYS 27 HZ1 LYS 27 3.600 14.391 -5.990 198 HZ2 LYS 27 HZ2 LYS 27 2.621 14.191 -7.341 199 HZ3 LYS 27 HZ3 LYS 27 4.269 13.780 -7.393 200 H LEU 28 HN LEU 28 1.549 8.326 -7.473 201 HA LEU 28 HA LEU 28 0.723 5.717 -7.805 202 HB2 LEU 28 HB2 LEU 28 0.305 8.108 -9.524 203 HB3 LEU 28 HB1 LEU 28 -0.375 6.548 -9.941 204 HG LEU 28 HG LEU 28 -0.910 7.969 -7.324 205 HD11 LEU 28 HD11 LEU 28 -1.874 9.239 -9.172 206 HD12 LEU 28 HD12 LEU 28 -3.137 8.431 -8.237 207 HD13 LEU 28 HD13 LEU 28 -2.637 7.773 -9.790 208 HD21 LEU 28 HD21 LEU 28 -2.198 5.565 -8.610 209 HD22 LEU 28 HD22 LEU 28 -2.701 6.341 -7.105 210 HD23 LEU 28 HD23 LEU 28 -1.131 5.555 -7.202 211 H ASP 29 HN ASP 29 3.755 6.233 -8.788 212 HA ASP 29 HA ASP 29 3.410 4.023 -10.713 213 HB2 ASP 29 HB2 ASP 29 3.883 6.284 -11.898 214 HB3 ASP 29 HB1 ASP 29 5.505 6.151 -11.230 215 H LYS 30 HN LYS 30 4.242 4.414 -7.847 216 HA LYS 30 HA LYS 30 6.992 3.454 -8.018 217 HB2 LYS 30 HB2 LYS 30 5.468 4.435 -5.593 218 HB3 LYS 30 HB1 LYS 30 7.181 4.055 -5.676 219 HG2 LYS 30 HG2 LYS 30 5.825 6.303 -7.163 220 HG3 LYS 30 HG1 LYS 30 6.731 6.474 -5.665 221 HD2 LYS 30 HD2 LYS 30 7.871 5.442 -8.261 222 HD3 LYS 30 HD1 LYS 30 7.997 7.110 -7.715 223 HE2 LYS 30 HE2 LYS 30 9.094 4.687 -6.288 224 HE3 LYS 30 HE1 LYS 30 10.033 5.829 -7.241 225 HZ1 LYS 30 HZ1 LYS 30 8.555 6.490 -4.731 226 HZ2 LYS 30 HZ2 LYS 30 9.403 7.573 -5.651 227 HZ3 LYS 30 HZ3 LYS 30 10.214 6.301 -4.886 228 H SER 31 HN SER 31 7.357 1.405 -7.644 229 HA SER 31 HA SER 31 5.213 -0.341 -6.832 230 HB2 SER 31 HB2 SER 31 6.704 -0.960 -8.736 231 HB3 SER 31 HB1 SER 31 8.078 -0.926 -7.639 232 HG SER 31 HG SER 31 5.865 -2.580 -7.036 233 H PHE 32 HN PHE 32 5.029 -1.159 -4.881 234 HA PHE 32 HA PHE 32 6.458 -0.268 -2.655 235 HB2 PHE 32 HB2 PHE 32 4.885 -2.815 -2.998 236 HB3 PHE 32 HB1 PHE 32 5.487 -2.219 -1.463 237 HD1 PHE 32 HD1 PHE 32 4.480 -0.299 -0.404 238 HD2 PHE 32 HD2 PHE 32 3.016 -1.826 -4.087 239 HE1 PHE 32 HE1 PHE 32 2.382 0.935 -0.079 240 HE2 PHE 32 HE2 PHE 32 0.927 -0.595 -3.776 241 HZ PHE 32 HZ PHE 32 0.601 0.780 -1.768 242 H THR 33 HN THR 33 6.651 -3.444 -4.294 243 HA THR 33 HA THR 33 8.929 -4.155 -2.754 244 HB THR 33 HB THR 33 8.668 -6.216 -4.329 245 HG1 THR 33 HG1 THR 33 6.799 -6.291 -5.426 246 HG21 THR 33 HG21 THR 33 6.889 -7.082 -2.856 247 HG22 THR 33 HG22 THR 33 6.531 -5.441 -2.321 248 HG23 THR 33 HG23 THR 33 8.084 -6.176 -1.928 249 H ASP 34 HN ASP 34 9.412 -1.927 -4.555 250 HA ASP 34 HA ASP 34 11.791 -2.951 -5.801 251 HB2 ASP 34 HB2 ASP 34 10.242 -3.422 -7.634 252 HB3 ASP 34 HB1 ASP 34 9.672 -1.754 -7.607 253 H ASP 35 HN ASP 35 9.667 -0.132 -6.102 254 HA ASP 35 HA ASP 35 11.877 1.681 -6.210 255 HB2 ASP 35 HB2 ASP 35 8.916 2.144 -5.900 256 HB3 ASP 35 HB1 ASP 35 10.103 3.426 -6.061 257 H LEU 36 HN LEU 36 9.365 0.901 -3.920 258 HA LEU 36 HA LEU 36 10.302 2.844 -2.005 259 HB2 LEU 36 HB2 LEU 36 8.230 0.694 -1.615 260 HB3 LEU 36 HB1 LEU 36 8.451 2.132 -0.644 261 HG LEU 36 HG LEU 36 7.439 2.005 -3.480 262 HD11 LEU 36 HD11 LEU 36 5.817 1.287 -1.849 263 HD12 LEU 36 HD12 LEU 36 5.366 2.854 -2.523 264 HD13 LEU 36 HD13 LEU 36 6.076 2.759 -0.911 265 HD21 LEU 36 HD21 LEU 36 8.781 3.997 -3.181 266 HD22 LEU 36 HD22 LEU 36 7.882 4.413 -1.719 267 HD23 LEU 36 HD23 LEU 36 7.073 4.417 -3.289 268 H ASP 37 HN ASP 37 9.669 -0.611 -1.782 269 HA ASP 37 HA ASP 37 10.475 -2.296 -0.662 270 HB2 ASP 37 HB2 ASP 37 12.729 -1.891 -1.529 271 HB3 ASP 37 HB1 ASP 37 13.028 -0.706 -0.255 272 H VAL 38 HN VAL 38 9.195 -2.548 0.893 273 HA VAL 38 HA VAL 38 9.619 -1.020 3.365 274 HB VAL 38 HB VAL 38 7.275 -2.819 2.659 275 HG11 VAL 38 HG11 VAL 38 6.124 -1.631 4.480 276 HG12 VAL 38 HG12 VAL 38 7.595 -0.711 4.802 277 HG13 VAL 38 HG13 VAL 38 7.575 -2.459 5.048 278 HG21 VAL 38 HG21 VAL 38 7.338 -0.974 1.069 279 HG22 VAL 38 HG22 VAL 38 7.444 0.188 2.395 280 HG23 VAL 38 HG23 VAL 38 5.983 -0.779 2.182 281 H ASP 39 HN ASP 39 11.589 -2.674 2.862 282 HA ASP 39 HA ASP 39 12.891 -4.306 3.678 283 HB2 ASP 39 HB2 ASP 39 11.894 -3.441 5.872 284 HB3 ASP 39 HB1 ASP 39 10.781 -4.804 5.771 285 H SER 40 HN SER 40 10.282 -4.755 2.176 286 HA SER 40 HA SER 40 9.126 -6.199 1.039 287 HB2 SER 40 HB2 SER 40 10.263 -8.211 0.129 288 HB3 SER 40 HB1 SER 40 11.153 -6.701 -0.084 289 H LEU 41 HN LEU 41 10.294 -7.782 3.900 290 HA LEU 41 HA LEU 41 7.900 -9.401 3.835 291 HB2 LEU 41 HB2 LEU 41 8.684 -10.329 6.020 292 HB3 LEU 41 HB1 LEU 41 9.797 -10.550 4.693 293 HG LEU 41 HG LEU 41 11.030 -8.505 5.638 294 HD11 LEU 41 HD11 LEU 41 9.413 -9.227 8.074 295 HD12 LEU 41 HD12 LEU 41 9.308 -7.738 7.140 296 HD13 LEU 41 HD13 LEU 41 10.789 -8.111 8.025 297 HD21 LEU 41 HD21 LEU 41 10.969 -11.104 7.150 298 HD22 LEU 41 HD22 LEU 41 12.272 -9.915 7.200 299 HD23 LEU 41 HD23 LEU 41 11.904 -10.758 5.696 300 H SER 42 HN SER 42 9.028 -6.502 5.354 301 HA SER 42 HA SER 42 6.915 -6.310 7.219 302 HB2 SER 42 HB2 SER 42 9.048 -4.378 6.365 303 HB3 SER 42 HB1 SER 42 7.779 -3.929 7.510 304 HG SER 42 HG SER 42 8.389 -5.467 8.841 305 H MET 43 HN MET 43 6.979 -5.801 3.967 306 HA MET 43 HA MET 43 5.372 -3.602 3.845 307 HB2 MET 43 HB2 MET 43 4.606 -4.485 1.482 308 HB3 MET 43 HB1 MET 43 6.265 -4.022 1.761 309 HG2 MET 43 HG2 MET 43 5.956 -6.064 0.425 310 HG3 MET 43 HG1 MET 43 6.981 -6.250 1.836 311 HE1 MET 43 HE1 MET 43 2.723 -7.952 1.483 312 HE2 MET 43 HE2 MET 43 3.614 -7.290 0.131 313 HE3 MET 43 HE3 MET 43 3.057 -6.207 1.435 314 H VAL 44 HN VAL 44 4.480 -6.824 4.665 315 HA VAL 44 HA VAL 44 1.680 -6.534 4.240 316 HB VAL 44 HB VAL 44 2.923 -8.352 6.330 317 HG11 VAL 44 HG11 VAL 44 0.519 -8.147 6.497 318 HG12 VAL 44 HG12 VAL 44 0.958 -9.763 5.943 319 HG13 VAL 44 HG13 VAL 44 0.341 -8.571 4.795 320 HG21 VAL 44 HG21 VAL 44 2.469 -8.969 3.412 321 HG22 VAL 44 HG22 VAL 44 2.979 -10.129 4.641 322 HG23 VAL 44 HG23 VAL 44 4.033 -8.782 4.203 323 H GLU 45 HN GLU 45 3.841 -5.424 6.651 324 HA GLU 45 HA GLU 45 1.894 -5.018 8.679 325 HB2 GLU 45 HB2 GLU 45 4.594 -3.694 8.328 326 HB3 GLU 45 HB1 GLU 45 3.628 -3.712 9.804 327 HG2 GLU 45 HG2 GLU 45 3.824 -6.181 9.839 328 HG3 GLU 45 HG1 GLU 45 4.890 -6.080 8.444 329 H VAL 46 HN VAL 46 3.393 -3.001 6.169 330 HA VAL 46 HA VAL 46 1.935 -0.666 6.541 331 HB VAL 46 HB VAL 46 2.877 -1.917 3.923 332 HG11 VAL 46 HG11 VAL 46 2.514 0.296 2.870 333 HG12 VAL 46 HG12 VAL 46 1.787 0.894 4.353 334 HG13 VAL 46 HG13 VAL 46 0.991 -0.378 3.439 335 HG21 VAL 46 HG21 VAL 46 3.925 0.359 5.587 336 HG22 VAL 46 HG22 VAL 46 4.608 -0.201 4.060 337 HG23 VAL 46 HG23 VAL 46 4.622 -1.254 5.476 338 H VAL 47 HN VAL 47 1.074 -3.517 4.620 339 HA VAL 47 HA VAL 47 -1.415 -2.875 3.645 340 HB VAL 47 HB VAL 47 -0.768 -5.539 4.947 341 HG11 VAL 47 HG11 VAL 47 -3.110 -5.283 4.398 342 HG12 VAL 47 HG12 VAL 47 -2.352 -6.462 3.327 343 HG13 VAL 47 HG13 VAL 47 -2.696 -4.833 2.745 344 HG21 VAL 47 HG21 VAL 47 -0.006 -6.273 2.747 345 HG22 VAL 47 HG22 VAL 47 0.976 -4.949 3.369 346 HG23 VAL 47 HG23 VAL 47 -0.239 -4.639 2.127 347 H VAL 48 HN VAL 48 -0.856 -4.519 6.748 348 HA VAL 48 HA VAL 48 -3.398 -4.524 7.796 349 HB VAL 48 HB VAL 48 -0.780 -4.235 9.304 350 HG11 VAL 48 HG11 VAL 48 -3.482 -5.114 10.340 351 HG12 VAL 48 HG12 VAL 48 -2.649 -3.616 10.756 352 HG13 VAL 48 HG13 VAL 48 -1.966 -5.169 11.242 353 HG21 VAL 48 HG21 VAL 48 -0.889 -6.201 7.885 354 HG22 VAL 48 HG22 VAL 48 -2.439 -6.647 8.594 355 HG23 VAL 48 HG23 VAL 48 -0.978 -6.665 9.585 356 H ALA 49 HN ALA 49 -1.052 -1.884 8.081 357 HA ALA 49 HA ALA 49 -2.815 -0.333 9.758 358 HB1 ALA 49 HB1 ALA 49 -1.136 1.388 9.689 359 HB2 ALA 49 HB2 ALA 49 -0.252 0.523 8.428 360 HB3 ALA 49 HB3 ALA 49 -0.393 -0.169 10.053 361 H ALA 50 HN ALA 50 -2.002 -0.506 6.387 362 HA ALA 50 HA ALA 50 -3.303 1.880 5.588 363 HB1 ALA 50 HB1 ALA 50 -1.664 0.751 4.153 364 HB2 ALA 50 HB2 ALA 50 -3.219 0.906 3.329 365 HB3 ALA 50 HB3 ALA 50 -2.734 -0.643 4.019 366 H GLU 51 HN GLU 51 -4.261 -1.466 6.034 367 HA GLU 51 HA GLU 51 -6.853 -1.363 5.097 368 HB2 GLU 51 HB2 GLU 51 -5.777 -2.875 7.458 369 HB3 GLU 51 HB1 GLU 51 -7.381 -3.108 6.796 370 HG2 GLU 51 HG2 GLU 51 -6.331 -3.783 4.662 371 HG3 GLU 51 HG1 GLU 51 -4.756 -3.676 5.459 372 H GLU 52 HN GLU 52 -5.519 -0.554 8.192 373 HA GLU 52 HA GLU 52 -7.873 0.155 9.498 374 HB2 GLU 52 HB2 GLU 52 -5.639 -0.296 10.546 375 HB3 GLU 52 HB1 GLU 52 -5.083 1.249 9.949 376 HG2 GLU 52 HG2 GLU 52 -7.326 0.877 11.937 377 HG3 GLU 52 HG1 GLU 52 -5.656 1.204 12.367 378 H ARG 53 HN ARG 53 -5.482 2.076 7.732 379 HA ARG 53 HA ARG 53 -6.609 4.606 8.158 380 HB2 ARG 53 HB2 ARG 53 -4.278 4.320 7.494 381 HB3 ARG 53 HB1 ARG 53 -4.782 3.734 5.914 382 HG2 ARG 53 HG2 ARG 53 -4.076 6.057 5.783 383 HG3 ARG 53 HG1 ARG 53 -5.805 5.921 5.439 384 HD2 ARG 53 HD2 ARG 53 -6.182 6.421 7.885 385 HD3 ARG 53 HD1 ARG 53 -4.478 6.846 7.969 386 HE ARG 53 HE ARG 53 -5.431 8.332 5.920 387 HH11 ARG 53 HH11 ARG 53 -6.379 7.871 9.301 388 HH12 ARG 53 HH12 ARG 53 -7.079 9.401 9.507 389 HH21 ARG 53 HH21 ARG 53 -6.386 10.537 6.173 390 HH22 ARG 53 HH22 ARG 53 -7.015 10.979 7.692 391 H PHE 54 HN PHE 54 -6.993 2.470 5.325 392 HA PHE 54 HA PHE 54 -8.732 4.475 4.060 393 HB2 PHE 54 HB2 PHE 54 -8.035 1.746 2.990 394 HB3 PHE 54 HB1 PHE 54 -8.648 3.131 2.096 395 HD1 PHE 54 HD1 PHE 54 -7.002 5.273 2.926 396 HD2 PHE 54 HD2 PHE 54 -5.962 1.232 2.192 397 HE1 PHE 54 HE1 PHE 54 -4.680 5.966 2.342 398 HE2 PHE 54 HE2 PHE 54 -3.676 1.887 1.625 399 HZ PHE 54 HZ PHE 54 -2.982 4.222 1.839 400 H ASP 55 HN ASP 55 -9.102 2.129 6.277 401 HA ASP 55 HA ASP 55 -10.668 0.668 6.960 402 HB2 ASP 55 HB2 ASP 55 -11.998 2.843 6.940 403 HB3 ASP 55 HB1 ASP 55 -12.590 2.391 5.350 404 H VAL 56 HN VAL 56 -9.167 -0.041 4.929 405 HA VAL 56 HA VAL 56 -10.887 -1.380 2.989 406 HB VAL 56 HB VAL 56 -8.862 0.027 2.155 407 HG11 VAL 56 HG11 VAL 56 -7.321 -2.346 3.107 408 HG12 VAL 56 HG12 VAL 56 -7.116 -0.666 3.649 409 HG13 VAL 56 HG13 VAL 56 -6.726 -1.149 1.986 410 HG21 VAL 56 HG21 VAL 56 -9.064 -2.826 1.244 411 HG22 VAL 56 HG22 VAL 56 -8.277 -1.519 0.359 412 HG23 VAL 56 HG23 VAL 56 -10.016 -1.460 0.662 413 H LYS 57 HN LYS 57 -9.980 -3.555 2.434 414 HA LYS 57 HA LYS 57 -9.009 -4.993 4.802 415 HB2 LYS 57 HB2 LYS 57 -11.454 -5.872 3.208 416 HB3 LYS 57 HB1 LYS 57 -10.620 -6.859 4.383 417 HG2 LYS 57 HG2 LYS 57 -12.614 -6.061 5.419 418 HG3 LYS 57 HG1 LYS 57 -11.278 -5.172 6.140 419 HD2 LYS 57 HD2 LYS 57 -11.786 -3.247 4.714 420 HD3 LYS 57 HD1 LYS 57 -13.096 -4.149 3.953 421 HE2 LYS 57 HE2 LYS 57 -13.939 -2.594 5.647 422 HE3 LYS 57 HE1 LYS 57 -14.275 -4.268 6.079 423 HZ1 LYS 57 HZ1 LYS 57 -13.478 -2.910 7.961 424 HZ2 LYS 57 HZ2 LYS 57 -12.017 -2.657 7.190 425 HZ3 LYS 57 HZ3 LYS 57 -12.447 -4.208 7.664 426 H ILE 58 HN ILE 58 -7.179 -5.830 4.061 427 HA ILE 58 HA ILE 58 -7.297 -7.207 1.497 428 HB ILE 58 HB ILE 58 -4.906 -5.424 2.086 429 HG12 ILE 58 HG12 ILE 58 -7.244 -4.743 0.278 430 HG13 ILE 58 HG11 ILE 58 -6.924 -3.968 1.825 431 HG21 ILE 58 HG21 ILE 58 -4.649 -7.308 0.508 432 HG22 ILE 58 HG22 ILE 58 -4.525 -5.743 -0.321 433 HG23 ILE 58 HG23 ILE 58 -6.023 -6.670 -0.406 434 HD11 ILE 58 HD11 ILE 58 -5.133 -3.891 -0.597 435 HD12 ILE 58 HD12 ILE 58 -4.806 -3.113 0.953 436 HD13 ILE 58 HD13 ILE 58 -6.177 -2.590 -0.025 437 HA PRO 59 HA PRO 59 -5.084 -9.810 4.443 438 HB2 PRO 59 HB2 PRO 59 -5.858 -12.030 2.720 439 HB3 PRO 59 HB1 PRO 59 -6.360 -11.671 4.378 440 HG2 PRO 59 HG2 PRO 59 -8.027 -11.512 2.213 441 HG3 PRO 59 HG1 PRO 59 -8.257 -10.634 3.732 442 HD2 PRO 59 HD2 PRO 59 -7.165 -9.679 1.129 443 HD3 PRO 59 HD1 PRO 59 -8.183 -8.829 2.309 444 H ASP 60 HN ASP 60 -3.349 -11.475 4.001 445 HA ASP 60 HA ASP 60 -1.447 -10.338 2.284 446 HB2 ASP 60 HB2 ASP 60 0.031 -12.180 2.760 447 HB3 ASP 60 HB1 ASP 60 -0.712 -11.585 4.243 448 H ASP 61 HN ASP 61 -3.717 -12.867 1.724 449 HA ASP 61 HA ASP 61 -2.541 -14.028 -0.567 450 HB2 ASP 61 HB2 ASP 61 -5.486 -13.696 0.081 451 HB3 ASP 61 HB1 ASP 61 -4.829 -14.770 -1.147 452 H ASP 62 HN ASP 62 -4.691 -11.348 -0.074 453 HA ASP 62 HA ASP 62 -5.048 -10.676 -2.799 454 HB2 ASP 62 HB2 ASP 62 -5.656 -9.286 -0.218 455 HB3 ASP 62 HB1 ASP 62 -5.881 -8.492 -1.766 456 H VAL 63 HN VAL 63 -2.863 -9.530 -0.270 457 HA VAL 63 HA VAL 63 -1.962 -7.354 -1.846 458 HB VAL 63 HB VAL 63 -1.675 -7.371 0.639 459 HG11 VAL 63 HG11 VAL 63 -0.841 -9.660 0.865 460 HG12 VAL 63 HG12 VAL 63 0.204 -8.480 1.661 461 HG13 VAL 63 HG13 VAL 63 0.674 -9.174 0.108 462 HG21 VAL 63 HG21 VAL 63 -0.515 -5.755 -0.703 463 HG22 VAL 63 HG22 VAL 63 0.815 -6.883 -0.961 464 HG23 VAL 63 HG23 VAL 63 0.491 -6.256 0.655 465 H LYS 64 HN LYS 64 -1.141 -10.652 -1.885 466 HA LYS 64 HA LYS 64 1.355 -10.309 -3.149 467 HB2 LYS 64 HB2 LYS 64 -0.439 -12.730 -2.979 468 HB3 LYS 64 HB1 LYS 64 1.123 -12.759 -3.787 469 HG2 LYS 64 HG2 LYS 64 2.208 -12.087 -1.678 470 HG3 LYS 64 HG1 LYS 64 0.635 -12.119 -0.884 471 HD2 LYS 64 HD2 LYS 64 1.974 -14.490 -2.195 472 HD3 LYS 64 HD1 LYS 64 1.964 -14.156 -0.465 473 HE2 LYS 64 HE2 LYS 64 -0.505 -14.298 -0.490 474 HE3 LYS 64 HE1 LYS 64 -0.443 -14.710 -2.202 475 HZ1 LYS 64 HZ1 LYS 64 0.829 -16.692 -1.632 476 HZ2 LYS 64 HZ2 LYS 64 -0.651 -16.696 -0.854 477 HZ3 LYS 64 HZ3 LYS 64 0.757 -16.308 0.010 478 H ASN 65 HN ASN 65 -1.620 -9.539 -4.208 479 HA ASN 65 HA ASN 65 -1.251 -10.244 -7.034 480 HB2 ASN 65 HB2 ASN 65 -3.616 -8.999 -5.597 481 HB3 ASN 65 HB1 ASN 65 -3.571 -9.433 -7.299 482 HD21 ASN 65 HD21 ASN 65 -5.289 -10.303 -5.065 483 HD22 ASN 65 HD22 ASN 65 -5.202 -12.027 -5.065 484 H LEU 66 HN LEU 66 -0.185 -7.875 -5.065 485 HA LEU 66 HA LEU 66 -0.920 -5.653 -6.811 486 HB2 LEU 66 HB2 LEU 66 0.357 -5.669 -4.082 487 HB3 LEU 66 HB1 LEU 66 0.039 -4.225 -5.018 488 HG LEU 66 HG LEU 66 -2.050 -6.128 -3.965 489 HD11 LEU 66 HD11 LEU 66 -1.317 -3.324 -3.145 490 HD12 LEU 66 HD12 LEU 66 -1.008 -4.788 -2.215 491 HD13 LEU 66 HD13 LEU 66 -2.668 -4.267 -2.515 492 HD21 LEU 66 HD21 LEU 66 -2.692 -5.141 -6.089 493 HD22 LEU 66 HD22 LEU 66 -2.319 -3.532 -5.464 494 HD23 LEU 66 HD23 LEU 66 -3.644 -4.466 -4.767 495 H LYS 67 HN LYS 67 1.036 -3.897 -6.691 496 HA LYS 67 HA LYS 67 3.618 -5.018 -7.153 497 HB2 LYS 67 HB2 LYS 67 2.642 -5.488 -9.308 498 HB3 LYS 67 HB1 LYS 67 1.944 -3.877 -9.391 499 HG2 LYS 67 HG2 LYS 67 4.318 -3.015 -9.310 500 HG3 LYS 67 HG1 LYS 67 4.812 -4.679 -9.617 501 HD2 LYS 67 HD2 LYS 67 3.523 -4.698 -11.684 502 HD3 LYS 67 HD1 LYS 67 2.942 -3.060 -11.277 503 HE2 LYS 67 HE2 LYS 67 5.051 -2.145 -11.431 504 HE3 LYS 67 HE1 LYS 67 5.833 -3.721 -11.547 505 HZ1 LYS 67 HZ1 LYS 67 4.975 -4.025 -13.731 506 HZ2 LYS 67 HZ2 LYS 67 5.611 -2.437 -13.688 507 HZ3 LYS 67 HZ3 LYS 67 3.964 -2.669 -13.622 508 H THR 68 HN THR 68 1.746 -2.189 -8.296 509 HA THR 68 HA THR 68 3.641 -0.457 -6.867 510 HB THR 68 HB THR 68 3.017 1.321 -8.456 511 HG1 THR 68 HG1 THR 68 1.405 -0.716 -9.632 512 HG21 THR 68 HG21 THR 68 4.035 0.421 -10.517 513 HG22 THR 68 HG22 THR 68 3.869 -1.215 -9.868 514 HG23 THR 68 HG23 THR 68 4.927 -0.046 -9.071 515 H VAL 69 HN VAL 69 2.407 1.792 -6.558 516 HA VAL 69 HA VAL 69 0.084 1.133 -5.048 517 HB VAL 69 HB VAL 69 -0.123 3.463 -4.427 518 HG11 VAL 69 HG11 VAL 69 2.023 3.850 -3.362 519 HG12 VAL 69 HG12 VAL 69 2.736 2.568 -4.356 520 HG13 VAL 69 HG13 VAL 69 1.456 2.191 -3.195 521 HG21 VAL 69 HG21 VAL 69 1.351 5.167 -5.267 522 HG22 VAL 69 HG22 VAL 69 0.425 4.427 -6.581 523 HG23 VAL 69 HG23 VAL 69 2.114 3.996 -6.334 524 H GLY 70 HN GLY 70 0.650 1.737 -8.304 525 HA2 GLY 70 HA2 GLY 70 -1.758 3.144 -8.909 526 HA3 GLY 70 HA1 GLY 70 -0.766 2.221 -10.044 527 H ASP 71 HN ASP 71 -0.653 -0.147 -8.829 528 HA ASP 71 HA ASP 71 -3.054 -1.498 -9.466 529 HB2 ASP 71 HB2 ASP 71 -0.831 -2.438 -7.632 530 HB3 ASP 71 HB1 ASP 71 -1.981 -3.468 -8.453 531 H ALA 72 HN ALA 72 -1.409 -0.741 -6.443 532 HA ALA 72 HA ALA 72 -3.181 -1.790 -4.631 533 HB1 ALA 72 HB1 ALA 72 -0.951 -0.990 -4.041 534 HB2 ALA 72 HB2 ALA 72 -2.191 -0.345 -2.964 535 HB3 ALA 72 HB3 ALA 72 -1.503 0.675 -4.229 536 H THR 73 HN THR 73 -3.180 1.558 -5.871 537 HA THR 73 HA THR 73 -5.213 2.575 -4.352 538 HB THR 73 HB THR 73 -4.586 3.191 -7.261 539 HG1 THR 73 HG1 THR 73 -2.843 3.626 -5.949 540 HG21 THR 73 HG21 THR 73 -5.695 5.381 -6.864 541 HG22 THR 73 HG22 THR 73 -6.152 4.851 -5.253 542 HG23 THR 73 HG23 THR 73 -6.827 4.045 -6.665 543 H LYS 74 HN LYS 74 -5.516 0.860 -7.447 544 HA LYS 74 HA LYS 74 -8.354 1.205 -7.660 545 HB2 LYS 74 HB2 LYS 74 -6.840 -1.006 -9.028 546 HB3 LYS 74 HB1 LYS 74 -8.239 -0.111 -9.596 547 HG2 LYS 74 HG2 LYS 74 -5.399 0.909 -9.429 548 HG3 LYS 74 HG1 LYS 74 -6.288 0.470 -10.872 549 HD2 LYS 74 HD2 LYS 74 -7.784 2.326 -10.599 550 HD3 LYS 74 HD1 LYS 74 -7.101 2.681 -9.005 551 HE2 LYS 74 HE2 LYS 74 -4.977 3.243 -9.970 552 HE3 LYS 74 HE1 LYS 74 -5.521 2.740 -11.568 553 HZ1 LYS 74 HZ1 LYS 74 -6.739 5.021 -10.062 554 HZ2 LYS 74 HZ2 LYS 74 -6.983 4.569 -11.682 555 HZ3 LYS 74 HZ3 LYS 74 -5.488 5.156 -11.188 556 H TYR 75 HN TYR 75 -6.211 -1.230 -6.451 557 HA TYR 75 HA TYR 75 -8.055 -3.350 -6.092 558 HB2 TYR 75 HB2 TYR 75 -5.470 -3.315 -6.219 559 HB3 TYR 75 HB1 TYR 75 -5.552 -2.927 -4.505 560 HD1 TYR 75 HD2 TYR 75 -6.429 -4.500 -2.928 561 HD2 TYR 75 HD1 TYR 75 -5.984 -5.523 -7.017 562 HE1 TYR 75 HE2 TYR 75 -6.638 -6.843 -2.331 563 HE2 TYR 75 HE1 TYR 75 -6.178 -7.842 -6.512 564 HH TYR 75 HH TYR 75 -5.969 -9.411 -4.501 565 H ILE 76 HN ILE 76 -6.691 -0.851 -4.026 566 HA ILE 76 HA ILE 76 -8.000 -1.575 -1.660 567 HB ILE 76 HB ILE 76 -6.797 1.053 -2.573 568 HG12 ILE 76 HG12 ILE 76 -5.866 -0.962 -0.522 569 HG13 ILE 76 HG11 ILE 76 -5.308 -0.907 -2.188 570 HG21 ILE 76 HG21 ILE 76 -7.853 0.387 0.179 571 HG22 ILE 76 HG22 ILE 76 -8.567 1.531 -0.957 572 HG23 ILE 76 HG23 ILE 76 -6.971 1.856 -0.269 573 HD11 ILE 76 HD11 ILE 76 -3.715 0.104 -0.675 574 HD12 ILE 76 HD12 ILE 76 -4.941 1.259 -0.134 575 HD13 ILE 76 HD13 ILE 76 -4.367 1.291 -1.802 576 H LEU 77 HN LEU 77 -8.849 0.619 -4.303 577 HA LEU 77 HA LEU 77 -11.175 1.589 -3.208 578 HB2 LEU 77 HB2 LEU 77 -10.585 1.022 -6.115 579 HB3 LEU 77 HB1 LEU 77 -11.981 1.925 -5.571 580 HG LEU 77 HG LEU 77 -9.101 2.754 -5.195 581 HD11 LEU 77 HD11 LEU 77 -9.809 2.897 -7.511 582 HD12 LEU 77 HD12 LEU 77 -9.623 4.503 -6.807 583 HD13 LEU 77 HD13 LEU 77 -11.234 3.818 -7.030 584 HD21 LEU 77 HD21 LEU 77 -10.538 3.543 -3.384 585 HD22 LEU 77 HD22 LEU 77 -11.654 4.235 -4.562 586 HD23 LEU 77 HD23 LEU 77 -10.013 4.868 -4.416 587 H ASP 78 HN ASP 78 -10.568 -1.430 -4.880 588 HA ASP 78 HA ASP 78 -13.270 -2.331 -5.027 589 HB2 ASP 78 HB2 ASP 78 -10.666 -3.877 -5.130 590 HB3 ASP 78 HB1 ASP 78 -12.234 -4.651 -5.266 591 H HIS 79 HN HIS 79 -10.649 -3.119 -2.820 592 HA HIS 79 HA HIS 79 -12.341 -4.837 -1.233 593 HB2 HIS 79 HB2 HIS 79 -9.479 -4.355 -1.390 594 HB3 HIS 79 HB1 HIS 79 -10.090 -4.766 0.209 595 HD1 HIS 79 HD1 HIS 79 -11.374 -7.061 0.414 596 HD2 HIS 79 HD2 HIS 79 -9.336 -6.460 -3.147 597 HE1 HIS 79 HE1 HIS 79 -11.115 -9.328 -0.594 598 HE2 HIS 79 HE2 HIS 79 -9.442 -8.913 -2.381 599 H GLN 80 HN GLN 80 -12.287 -1.631 -1.135 600 HA GLN 80 HA GLN 80 -12.094 -1.454 1.789 601 HB2 GLN 80 HB2 GLN 80 -12.034 0.905 1.571 602 HB3 GLN 80 HB1 GLN 80 -10.962 0.230 0.351 603 HG2 GLN 80 HG2 GLN 80 -12.708 0.556 -1.347 604 HG3 GLN 80 HG1 GLN 80 -13.756 1.263 -0.125 605 HE21 GLN 80 HE21 GLN 80 -10.309 1.774 -0.443 606 HE22 GLN 80 HE22 GLN 80 -10.428 3.455 -0.880 607 H ALA 81 HN ALA 81 -13.782 -0.349 2.965 608 HA ALA 81 HA ALA 81 -16.378 -0.829 1.783 609 HB1 ALA 81 HB1 ALA 81 -15.557 -0.126 4.608 610 HB2 ALA 81 HB2 ALA 81 -15.991 -1.732 4.024 611 HB3 ALA 81 HB3 ALA 81 -17.207 -0.455 4.075 612 H2 SOO 101 H2A SOO 101 3.352 -5.716 -0.979 613 H3 SOO 101 H3A SOO 101 1.850 -3.195 -1.927 614 H4 SOO 101 H4A SOO 101 1.944 -4.621 0.738 615 H4A SOO 101 H4B SOO 101 3.171 -3.367 0.557 616 H5 SOO 101 H5A SOO 101 1.383 -1.724 0.087 617 H5A SOO 101 H5B SOO 101 1.208 -2.463 1.679 618 H6 SOO 101 H6A SOO 101 -0.414 -4.084 0.641 619 H6A SOO 101 H6B SOO 101 -0.348 -3.110 -0.826 620 H7 SOO 101 H7A SOO 101 -1.216 -2.064 1.872 621 H7A SOO 101 H7B SOO 101 -2.314 -2.575 0.579 622 H8 SOO 101 H8C SOO 101 -1.360 -0.871 -0.883 623 H8A SOO 101 H8A SOO 101 -0.268 -0.378 0.410 624 H8B SOO 101 H8B SOO 101 -2.009 -0.164 0.598 625 H28 SOO 101 H28A SOO 101 11.163 -11.449 1.604 626 H28A SOO 101 H28B SOO 101 10.014 -10.110 1.483 627 H30 SOO 101 H30A SOO 101 8.077 -11.346 -1.359 628 H30A SOO 101 H30B SOO 101 9.356 -10.144 -1.387 629 H30B SOO 101 H30C SOO 101 8.164 -10.122 -0.104 630 H31 SOO 101 H31A SOO 101 11.138 -13.206 -0.310 631 H31A SOO 101 H31B SOO 101 11.049 -11.935 -1.529 632 H31B SOO 101 H31C SOO 101 9.810 -13.187 -1.469 633 H32 SOO 101 H32A SOO 101 8.351 -13.480 0.411 634 HO33 SOO 101 H33A SOO 101 9.142 -13.383 2.761 635 HN36 SOO 101 H36A SOO 101 6.589 -11.697 0.256 636 H37 SOO 101 H37A SOO 101 5.250 -11.423 2.771 637 H37A SOO 101 H37B SOO 101 5.749 -9.923 2.010 638 H38 SOO 101 H38A SOO 101 3.930 -12.001 0.820 639 H38A SOO 101 H38B SOO 101 3.489 -10.355 1.309 640 HN41 SOO 101 H41A SOO 101 2.969 -9.374 -0.462 641 H42 SOO 101 H42A SOO 101 4.647 -9.450 -2.882 642 H42A SOO 101 H42B SOO 101 2.887 -9.318 -2.895 643 H43 SOO 101 H43A SOO 101 4.815 -7.379 -1.756 644 H43A SOO 101 H43B SOO 101 3.052 -7.257 -1.560 Start of MODEL 19 1 H1 ALA 1 HT1 ALA 1 -15.734 7.176 2.057 2 H2 ALA 1 HT2 ALA 1 -16.808 6.077 1.346 3 H3 ALA 1 HT3 ALA 1 -15.950 7.200 0.391 4 HA ALA 1 HA ALA 1 -14.681 5.055 1.926 5 HB1 ALA 1 HB1 ALA 1 -14.282 4.028 -0.278 6 HB2 ALA 1 HB2 ALA 1 -15.235 5.299 -1.044 7 HB3 ALA 1 HB3 ALA 1 -16.007 4.162 0.064 8 H ALA 2 HN ALA 2 -12.545 4.851 0.098 9 HA ALA 2 HA ALA 2 -11.235 7.402 0.639 10 HB1 ALA 2 HB1 ALA 2 -9.140 6.192 0.335 11 HB2 ALA 2 HB2 ALA 2 -10.024 4.747 -0.140 12 HB3 ALA 2 HB3 ALA 2 -10.158 5.359 1.514 13 H THR 3 HN THR 3 -9.489 7.903 -1.097 14 HA THR 3 HA THR 3 -10.531 7.425 -3.788 15 HB THR 3 HB THR 3 -9.811 9.791 -4.272 16 HG1 THR 3 HG1 THR 3 -9.902 10.993 -2.035 17 HG21 THR 3 HG21 THR 3 -11.797 10.872 -3.267 18 HG22 THR 3 HG22 THR 3 -11.984 9.505 -2.168 19 HG23 THR 3 HG23 THR 3 -12.206 9.278 -3.901 20 H GLN 4 HN GLN 4 -8.610 8.374 -5.338 21 HA GLN 4 HA GLN 4 -6.262 6.957 -4.756 22 HB2 GLN 4 HB2 GLN 4 -6.916 7.398 -7.054 23 HB3 GLN 4 HB1 GLN 4 -6.883 9.126 -6.779 24 HG2 GLN 4 HG2 GLN 4 -4.330 7.759 -6.300 25 HG3 GLN 4 HG1 GLN 4 -4.911 7.688 -7.961 26 HE21 GLN 4 HE21 GLN 4 -3.810 9.799 -5.396 27 HE22 GLN 4 HE22 GLN 4 -3.593 11.187 -6.407 28 H GLU 5 HN GLU 5 -7.313 10.193 -4.217 29 HA GLU 5 HA GLU 5 -4.904 11.430 -3.474 30 HB2 GLU 5 HB2 GLU 5 -7.680 11.901 -2.365 31 HB3 GLU 5 HB1 GLU 5 -6.331 13.026 -2.292 32 HG2 GLU 5 HG2 GLU 5 -6.380 13.328 -4.661 33 HG3 GLU 5 HG1 GLU 5 -7.582 12.052 -4.840 34 H GLU 6 HN GLU 6 -7.416 9.923 -1.474 35 HA GLU 6 HA GLU 6 -5.981 10.132 0.930 36 HB2 GLU 6 HB2 GLU 6 -8.337 8.433 0.177 37 HB3 GLU 6 HB1 GLU 6 -7.639 8.446 1.790 38 HG2 GLU 6 HG2 GLU 6 -8.854 10.780 0.331 39 HG3 GLU 6 HG1 GLU 6 -9.546 9.911 1.705 40 H ILE 7 HN ILE 7 -6.149 7.540 -1.428 41 HA ILE 7 HA ILE 7 -4.849 5.675 0.245 42 HB ILE 7 HB ILE 7 -5.259 5.698 -2.756 43 HG12 ILE 7 HG12 ILE 7 -6.503 4.067 -0.531 44 HG13 ILE 7 HG11 ILE 7 -7.245 5.461 -1.301 45 HG21 ILE 7 HG21 ILE 7 -3.220 4.409 -2.256 46 HG22 ILE 7 HG22 ILE 7 -4.531 3.344 -2.759 47 HG23 ILE 7 HG23 ILE 7 -4.104 3.472 -1.051 48 HD11 ILE 7 HD11 ILE 7 -6.550 2.861 -2.632 49 HD12 ILE 7 HD12 ILE 7 -7.291 4.254 -3.415 50 HD13 ILE 7 HD13 ILE 7 -8.158 3.392 -2.146 51 H VAL 8 HN VAL 8 -3.573 7.491 -2.545 52 HA VAL 8 HA VAL 8 -0.921 6.619 -2.313 53 HB VAL 8 HB VAL 8 -1.987 9.255 -3.395 54 HG11 VAL 8 HG11 VAL 8 0.122 9.393 -4.643 55 HG12 VAL 8 HG12 VAL 8 0.704 7.937 -3.835 56 HG13 VAL 8 HG13 VAL 8 0.420 9.410 -2.903 57 HG21 VAL 8 HG21 VAL 8 -2.883 7.291 -4.509 58 HG22 VAL 8 HG22 VAL 8 -1.251 6.673 -4.764 59 HG23 VAL 8 HG23 VAL 8 -1.768 8.153 -5.568 60 H ALA 9 HN ALA 9 -2.188 9.791 -1.260 61 HA ALA 9 HA ALA 9 0.119 10.576 0.134 62 HB1 ALA 9 HB1 ALA 9 -1.277 12.339 1.084 63 HB2 ALA 9 HB2 ALA 9 -2.727 11.494 0.534 64 HB3 ALA 9 HB3 ALA 9 -1.590 12.150 -0.643 65 H GLY 10 HN GLY 10 -2.606 8.635 1.086 66 HA2 GLY 10 HA2 GLY 10 -2.149 8.879 3.906 67 HA3 GLY 10 HA1 GLY 10 -3.234 7.744 3.116 68 H LEU 11 HN LEU 11 -1.587 6.350 1.484 69 HA LEU 11 HA LEU 11 -0.552 4.314 3.009 70 HB2 LEU 11 HB2 LEU 11 -0.864 4.960 0.317 71 HB3 LEU 11 HB1 LEU 11 0.851 4.664 0.496 72 HG LEU 11 HG LEU 11 -1.370 2.747 1.212 73 HD11 LEU 11 HD11 LEU 11 0.570 2.737 -1.094 74 HD12 LEU 11 HD12 LEU 11 -1.163 3.047 -1.185 75 HD13 LEU 11 HD13 LEU 11 -0.577 1.451 -0.714 76 HD21 LEU 11 HD21 LEU 11 0.415 1.091 1.498 77 HD22 LEU 11 HD22 LEU 11 0.593 2.431 2.632 78 HD23 LEU 11 HD23 LEU 11 1.623 2.342 1.205 79 H ALA 12 HN ALA 12 1.052 7.026 1.474 80 HA ALA 12 HA ALA 12 3.682 6.354 1.947 81 HB1 ALA 12 HB1 ALA 12 2.519 9.106 1.798 82 HB2 ALA 12 HB2 ALA 12 2.957 8.075 0.424 83 HB3 ALA 12 HB3 ALA 12 4.204 8.636 1.544 84 H GLU 13 HN GLU 13 1.416 7.919 4.131 85 HA GLU 13 HA GLU 13 3.450 8.725 5.946 86 HB2 GLU 13 HB2 GLU 13 0.487 8.428 6.408 87 HB3 GLU 13 HB1 GLU 13 1.610 9.172 7.539 88 HG2 GLU 13 HG2 GLU 13 2.187 10.815 5.750 89 HG3 GLU 13 HG1 GLU 13 0.879 10.132 4.789 90 H ILE 14 HN ILE 14 1.494 5.861 5.609 91 HA ILE 14 HA ILE 14 2.440 4.758 8.102 92 HB ILE 14 HB ILE 14 0.909 3.424 5.818 93 HG12 ILE 14 HG12 ILE 14 -0.908 3.188 7.584 94 HG13 ILE 14 HG11 ILE 14 0.049 4.244 8.608 95 HG21 ILE 14 HG21 ILE 14 2.315 1.751 6.848 96 HG22 ILE 14 HG22 ILE 14 0.626 1.465 7.270 97 HG23 ILE 14 HG23 ILE 14 1.718 2.196 8.446 98 HD11 ILE 14 HD11 ILE 14 -1.756 5.446 7.546 99 HD12 ILE 14 HD12 ILE 14 -1.167 4.959 5.953 100 HD13 ILE 14 HD13 ILE 14 -0.197 6.033 6.962 101 H VAL 15 HN VAL 15 3.210 4.524 4.699 102 HA VAL 15 HA VAL 15 5.192 2.566 4.816 103 HB VAL 15 HB VAL 15 4.912 4.934 2.934 104 HG11 VAL 15 HG11 VAL 15 6.809 2.586 2.725 105 HG12 VAL 15 HG12 VAL 15 7.250 4.272 3.017 106 HG13 VAL 15 HG13 VAL 15 6.532 3.807 1.475 107 HG21 VAL 15 HG21 VAL 15 4.165 3.228 1.345 108 HG22 VAL 15 HG22 VAL 15 3.150 3.265 2.788 109 HG23 VAL 15 HG23 VAL 15 4.354 1.990 2.589 110 H ASN 16 HN ASN 16 5.293 5.986 5.456 111 HA ASN 16 HA ASN 16 8.066 6.302 5.706 112 HB2 ASN 16 HB2 ASN 16 6.287 8.077 5.441 113 HB3 ASN 16 HB1 ASN 16 5.941 7.877 7.152 114 HD21 ASN 16 HD21 ASN 16 8.254 8.834 4.817 115 HD22 ASN 16 HD22 ASN 16 9.218 9.853 5.825 116 H GLU 17 HN GLU 17 5.696 5.005 7.838 117 HA GLU 17 HA GLU 17 7.280 5.153 10.248 118 HB2 GLU 17 HB2 GLU 17 4.759 3.628 9.589 119 HB3 GLU 17 HB1 GLU 17 5.463 3.782 11.194 120 HG2 GLU 17 HG2 GLU 17 4.619 6.086 9.524 121 HG3 GLU 17 HG1 GLU 17 3.529 5.298 10.673 122 H ILE 18 HN ILE 18 5.995 2.549 8.237 123 HA ILE 18 HA ILE 18 7.411 0.449 9.524 124 HB ILE 18 HB ILE 18 6.260 0.435 6.734 125 HG12 ILE 18 HG12 ILE 18 4.544 1.210 8.336 126 HG13 ILE 18 HG11 ILE 18 4.168 -0.381 7.699 127 HG21 ILE 18 HG21 ILE 18 5.983 -1.978 7.123 128 HG22 ILE 18 HG22 ILE 18 6.778 -1.809 8.688 129 HG23 ILE 18 HG23 ILE 18 7.673 -1.477 7.205 130 HD11 ILE 18 HD11 ILE 18 5.295 0.227 10.428 131 HD12 ILE 18 HD12 ILE 18 4.939 -1.385 9.786 132 HD13 ILE 18 HD13 ILE 18 3.631 -0.224 10.026 133 H ALA 19 HN ALA 19 7.886 2.069 6.388 134 HA ALA 19 HA ALA 19 10.401 0.593 6.072 135 HB1 ALA 19 HB1 ALA 19 8.869 2.186 4.015 136 HB2 ALA 19 HB2 ALA 19 8.807 0.435 4.213 137 HB3 ALA 19 HB3 ALA 19 10.309 1.215 3.716 138 H GLY 20 HN GLY 20 9.145 3.883 5.687 139 HA2 GLY 20 HA2 GLY 20 10.455 5.652 6.819 140 HA3 GLY 20 HA1 GLY 20 11.895 4.831 6.238 141 H ILE 21 HN ILE 21 9.672 4.605 3.858 142 HA ILE 21 HA ILE 21 10.956 6.438 2.137 143 HB ILE 21 HB ILE 21 8.367 4.884 1.833 144 HG12 ILE 21 HG12 ILE 21 10.377 3.517 1.926 145 HG13 ILE 21 HG11 ILE 21 9.671 3.471 0.314 146 HG21 ILE 21 HG21 ILE 21 8.407 5.378 -0.570 147 HG22 ILE 21 HG22 ILE 21 9.760 6.481 -0.315 148 HG23 ILE 21 HG23 ILE 21 8.187 6.838 0.398 149 HD11 ILE 21 HD11 ILE 21 11.338 5.078 -0.458 150 HD12 ILE 21 HD12 ILE 21 12.086 3.628 0.213 151 HD13 ILE 21 HD13 ILE 21 12.046 5.119 1.158 152 HA PRO 22 HA PRO 22 9.227 10.378 3.118 153 HB2 PRO 22 HB2 PRO 22 9.167 10.581 0.139 154 HB3 PRO 22 HB1 PRO 22 9.761 11.743 1.333 155 HG2 PRO 22 HG2 PRO 22 11.473 10.243 0.004 156 HG3 PRO 22 HG1 PRO 22 11.701 10.534 1.737 157 HD2 PRO 22 HD2 PRO 22 10.741 8.097 0.333 158 HD3 PRO 22 HD1 PRO 22 11.718 8.243 1.807 159 H VAL 23 HN VAL 23 7.358 11.458 3.157 160 HA VAL 23 HA VAL 23 5.012 9.860 2.846 161 HB VAL 23 HB VAL 23 3.811 11.753 3.894 162 HG11 VAL 23 HG11 VAL 23 4.865 10.058 5.276 163 HG12 VAL 23 HG12 VAL 23 4.974 11.643 6.041 164 HG13 VAL 23 HG13 VAL 23 6.384 10.951 5.238 165 HG21 VAL 23 HG21 VAL 23 5.070 13.578 2.917 166 HG22 VAL 23 HG22 VAL 23 6.518 13.045 3.744 167 HG23 VAL 23 HG23 VAL 23 5.160 13.690 4.686 168 H GLU 24 HN GLU 24 6.445 11.426 0.494 169 HA GLU 24 HA GLU 24 3.897 11.878 -0.943 170 HB2 GLU 24 HB2 GLU 24 6.398 13.553 -1.236 171 HB3 GLU 24 HB1 GLU 24 4.894 13.768 -2.112 172 HG2 GLU 24 HG2 GLU 24 3.779 14.493 -0.128 173 HG3 GLU 24 HG1 GLU 24 5.185 14.092 0.860 174 H ASP 25 HN ASP 25 6.431 9.930 -0.634 175 HA ASP 25 HA ASP 25 7.177 10.047 -3.453 176 HB2 ASP 25 HB2 ASP 25 8.935 10.538 -1.811 177 HB3 ASP 25 HB1 ASP 25 8.809 8.909 -1.182 178 H VAL 26 HN VAL 26 5.162 8.384 -1.615 179 HA VAL 26 HA VAL 26 5.685 5.815 -2.853 180 HB VAL 26 HB VAL 26 3.497 6.677 -0.893 181 HG11 VAL 26 HG11 VAL 26 4.352 3.913 -1.740 182 HG12 VAL 26 HG12 VAL 26 2.858 4.722 -2.206 183 HG13 VAL 26 HG13 VAL 26 3.139 4.296 -0.519 184 HG21 VAL 26 HG21 VAL 26 6.057 5.187 -0.369 185 HG22 VAL 26 HG22 VAL 26 4.780 5.493 0.809 186 HG23 VAL 26 HG23 VAL 26 5.688 6.840 0.122 187 H LYS 27 HN LYS 27 5.480 6.872 -4.819 188 HA LYS 27 HA LYS 27 3.043 8.230 -5.555 189 HB2 LYS 27 HB2 LYS 27 5.540 7.693 -7.152 190 HB3 LYS 27 HB1 LYS 27 4.184 8.720 -7.604 191 HG2 LYS 27 HG2 LYS 27 4.648 10.237 -5.819 192 HG3 LYS 27 HG1 LYS 27 5.938 9.189 -5.221 193 HD2 LYS 27 HD2 LYS 27 7.213 9.535 -7.237 194 HD3 LYS 27 HD1 LYS 27 5.887 10.450 -7.953 195 HE2 LYS 27 HE2 LYS 27 7.669 11.909 -7.125 196 HE3 LYS 27 HE1 LYS 27 6.146 12.186 -6.289 197 HZ1 LYS 27 HZ1 LYS 27 8.068 12.144 -4.787 198 HZ2 LYS 27 HZ2 LYS 27 8.383 10.532 -5.152 199 HZ3 LYS 27 HZ3 LYS 27 6.929 10.998 -4.423 200 H LEU 28 HN LEU 28 1.889 7.766 -7.440 201 HA LEU 28 HA LEU 28 0.786 5.269 -7.629 202 HB2 LEU 28 HB2 LEU 28 0.845 7.483 -9.651 203 HB3 LEU 28 HB1 LEU 28 -0.033 5.997 -9.938 204 HG LEU 28 HG LEU 28 -0.558 7.820 -7.579 205 HD11 LEU 28 HD11 LEU 28 -1.104 8.960 -9.671 206 HD12 LEU 28 HD12 LEU 28 -2.571 8.481 -8.801 207 HD13 LEU 28 HD13 LEU 28 -2.031 7.550 -10.196 208 HD21 LEU 28 HD21 LEU 28 -2.596 6.530 -7.364 209 HD22 LEU 28 HD22 LEU 28 -1.196 5.460 -7.273 210 HD23 LEU 28 HD23 LEU 28 -2.145 5.543 -8.753 211 H ASP 29 HN ASP 29 3.462 6.454 -9.601 212 HA ASP 29 HA ASP 29 3.512 3.885 -10.984 213 HB2 ASP 29 HB2 ASP 29 4.987 6.446 -11.521 214 HB3 ASP 29 HB1 ASP 29 5.299 4.948 -12.386 215 H LYS 30 HN LYS 30 4.488 4.385 -8.114 216 HA LYS 30 HA LYS 30 7.230 3.468 -8.536 217 HB2 LYS 30 HB2 LYS 30 5.845 4.478 -6.043 218 HB3 LYS 30 HB1 LYS 30 7.492 3.901 -6.118 219 HG2 LYS 30 HG2 LYS 30 6.487 6.338 -7.588 220 HG3 LYS 30 HG1 LYS 30 7.219 6.382 -5.993 221 HD2 LYS 30 HD2 LYS 30 9.004 6.922 -7.366 222 HD3 LYS 30 HD1 LYS 30 9.215 5.189 -7.157 223 HE2 LYS 30 HE2 LYS 30 8.132 4.836 -9.383 224 HE3 LYS 30 HE1 LYS 30 7.995 6.585 -9.541 225 HZ1 LYS 30 HZ1 LYS 30 9.955 5.824 -10.703 226 HZ2 LYS 30 HZ2 LYS 30 10.485 5.009 -9.336 227 HZ3 LYS 30 HZ3 LYS 30 10.418 6.704 -9.325 228 H SER 31 HN SER 31 7.548 1.430 -8.361 229 HA SER 31 HA SER 31 5.426 -0.179 -7.229 230 HB2 SER 31 HB2 SER 31 6.437 -0.907 -9.385 231 HB3 SER 31 HB1 SER 31 8.003 -1.052 -8.599 232 HG SER 31 HG SER 31 7.266 -3.072 -8.429 233 H PHE 32 HN PHE 32 5.647 -1.281 -5.415 234 HA PHE 32 HA PHE 32 7.142 -0.187 -3.336 235 HB2 PHE 32 HB2 PHE 32 5.845 -2.878 -3.589 236 HB3 PHE 32 HB1 PHE 32 6.537 -2.301 -2.085 237 HD1 PHE 32 HD1 PHE 32 5.434 -0.360 -0.939 238 HD2 PHE 32 HD2 PHE 32 3.782 -2.127 -4.429 239 HE1 PHE 32 HE1 PHE 32 3.285 0.766 -0.492 240 HE2 PHE 32 HE2 PHE 32 1.640 -1.017 -3.994 241 HZ PHE 32 HZ PHE 32 1.380 0.428 -2.039 242 H THR 33 HN THR 33 7.549 -3.388 -4.720 243 HA THR 33 HA THR 33 10.207 -3.412 -3.624 244 HB THR 33 HB THR 33 8.598 -5.673 -4.840 245 HG1 THR 33 HG1 THR 33 7.485 -5.620 -2.996 246 HG21 THR 33 HG21 THR 33 10.772 -5.511 -2.799 247 HG22 THR 33 HG22 THR 33 11.009 -6.065 -4.477 248 HG23 THR 33 HG23 THR 33 9.991 -6.997 -3.340 249 H ASP 34 HN ASP 34 10.734 -1.826 -5.236 250 HA ASP 34 HA ASP 34 12.245 -2.746 -7.413 251 HB2 ASP 34 HB2 ASP 34 10.009 -3.037 -8.515 252 HB3 ASP 34 HB1 ASP 34 9.683 -1.338 -8.184 253 H ASP 35 HN ASP 35 10.154 -0.014 -6.466 254 HA ASP 35 HA ASP 35 12.411 1.833 -6.841 255 HB2 ASP 35 HB2 ASP 35 9.462 2.368 -6.421 256 HB3 ASP 35 HB1 ASP 35 10.687 3.615 -6.464 257 H LEU 36 HN LEU 36 9.766 1.206 -4.636 258 HA LEU 36 HA LEU 36 10.639 3.102 -2.738 259 HB2 LEU 36 HB2 LEU 36 8.542 0.976 -2.479 260 HB3 LEU 36 HB1 LEU 36 8.755 2.353 -1.414 261 HG LEU 36 HG LEU 36 7.963 2.438 -4.317 262 HD11 LEU 36 HD11 LEU 36 6.420 3.073 -1.819 263 HD12 LEU 36 HD12 LEU 36 6.187 1.672 -2.866 264 HD13 LEU 36 HD13 LEU 36 5.847 3.295 -3.470 265 HD21 LEU 36 HD21 LEU 36 7.691 4.852 -3.969 266 HD22 LEU 36 HD22 LEU 36 9.360 4.314 -3.770 267 HD23 LEU 36 HD23 LEU 36 8.381 4.681 -2.347 268 H ASP 37 HN ASP 37 10.438 -0.430 -2.523 269 HA ASP 37 HA ASP 37 11.232 -1.924 -1.085 270 HB2 ASP 37 HB2 ASP 37 13.537 -1.271 -1.323 271 HB3 ASP 37 HB1 ASP 37 13.278 0.225 -0.436 272 H VAL 38 HN VAL 38 9.571 -2.274 0.036 273 HA VAL 38 HA VAL 38 9.054 -0.529 2.330 274 HB VAL 38 HB VAL 38 7.323 -0.525 0.503 275 HG11 VAL 38 HG11 VAL 38 7.450 -2.752 -0.284 276 HG12 VAL 38 HG12 VAL 38 5.802 -2.412 0.244 277 HG13 VAL 38 HG13 VAL 38 6.871 -3.382 1.259 278 HG21 VAL 38 HG21 VAL 38 6.369 -1.551 3.171 279 HG22 VAL 38 HG22 VAL 38 5.352 -0.763 1.964 280 HG23 VAL 38 HG23 VAL 38 6.664 0.132 2.732 281 H ASP 39 HN ASP 39 10.806 -2.691 1.883 282 HA ASP 39 HA ASP 39 11.829 -4.282 3.026 283 HB2 ASP 39 HB2 ASP 39 11.067 -3.009 5.041 284 HB3 ASP 39 HB1 ASP 39 9.665 -4.066 5.125 285 H SER 40 HN SER 40 8.801 -4.668 1.842 286 HA SER 40 HA SER 40 7.553 -6.275 0.990 287 HB2 SER 40 HB2 SER 40 8.643 -8.256 0.012 288 HB3 SER 40 HB1 SER 40 9.527 -6.776 -0.312 289 H LEU 41 HN LEU 41 9.433 -7.808 3.538 290 HA LEU 41 HA LEU 41 7.177 -9.525 4.120 291 HB2 LEU 41 HB2 LEU 41 8.587 -10.521 5.899 292 HB3 LEU 41 HB1 LEU 41 9.322 -10.582 4.317 293 HG LEU 41 HG LEU 41 10.631 -8.484 5.120 294 HD11 LEU 41 HD11 LEU 41 9.803 -9.627 7.779 295 HD12 LEU 41 HD12 LEU 41 9.340 -8.066 7.097 296 HD13 LEU 41 HD13 LEU 41 11.029 -8.373 7.509 297 HD21 LEU 41 HD21 LEU 41 11.648 -10.635 4.656 298 HD22 LEU 41 HD22 LEU 41 11.180 -11.216 6.257 299 HD23 LEU 41 HD23 LEU 41 12.354 -9.912 6.101 300 H SER 42 HN SER 42 8.767 -6.742 5.590 301 HA SER 42 HA SER 42 6.873 -6.646 7.713 302 HB2 SER 42 HB2 SER 42 8.737 -4.455 6.738 303 HB3 SER 42 HB1 SER 42 7.869 -4.463 8.275 304 HG SER 42 HG SER 42 10.043 -5.974 7.401 305 H MET 43 HN MET 43 6.850 -5.924 4.489 306 HA MET 43 HA MET 43 5.388 -3.685 4.148 307 HB2 MET 43 HB2 MET 43 6.184 -4.738 2.175 308 HB3 MET 43 HB1 MET 43 5.368 -6.244 2.564 309 HG2 MET 43 HG2 MET 43 3.847 -3.768 2.032 310 HG3 MET 43 HG1 MET 43 4.486 -4.724 0.679 311 HE1 MET 43 HE1 MET 43 4.074 -7.686 1.757 312 HE2 MET 43 HE2 MET 43 3.605 -7.148 0.145 313 HE3 MET 43 HE3 MET 43 2.458 -8.049 1.140 314 H VAL 44 HN VAL 44 4.255 -6.878 4.829 315 HA VAL 44 HA VAL 44 1.561 -6.570 4.553 316 HB VAL 44 HB VAL 44 2.868 -8.334 6.650 317 HG11 VAL 44 HG11 VAL 44 0.894 -9.766 6.422 318 HG12 VAL 44 HG12 VAL 44 0.172 -8.590 5.322 319 HG13 VAL 44 HG13 VAL 44 0.468 -8.158 7.006 320 HG21 VAL 44 HG21 VAL 44 2.192 -8.920 3.770 321 HG22 VAL 44 HG22 VAL 44 2.814 -10.087 4.939 322 HG23 VAL 44 HG23 VAL 44 3.810 -8.713 4.446 323 H GLU 45 HN GLU 45 3.603 -5.449 7.114 324 HA GLU 45 HA GLU 45 1.534 -4.980 9.015 325 HB2 GLU 45 HB2 GLU 45 4.395 -4.046 8.950 326 HB3 GLU 45 HB1 GLU 45 3.308 -3.917 10.332 327 HG2 GLU 45 HG2 GLU 45 3.082 -6.343 10.392 328 HG3 GLU 45 HG1 GLU 45 4.153 -6.466 9.009 329 H VAL 46 HN VAL 46 3.155 -3.156 6.508 330 HA VAL 46 HA VAL 46 2.125 -0.579 7.043 331 HB VAL 46 HB VAL 46 2.431 -1.875 4.302 332 HG11 VAL 46 HG11 VAL 46 1.189 0.207 4.204 333 HG12 VAL 46 HG12 VAL 46 2.769 0.412 3.457 334 HG13 VAL 46 HG13 VAL 46 2.472 1.041 5.074 335 HG21 VAL 46 HG21 VAL 46 4.676 -0.900 4.205 336 HG22 VAL 46 HG22 VAL 46 4.521 -2.081 5.507 337 HG23 VAL 46 HG23 VAL 46 4.501 -0.357 5.872 338 H VAL 47 HN VAL 47 1.016 -3.296 5.093 339 HA VAL 47 HA VAL 47 -1.441 -2.462 4.210 340 HB VAL 47 HB VAL 47 -0.721 -5.269 5.110 341 HG11 VAL 47 HG11 VAL 47 -3.141 -4.994 4.812 342 HG12 VAL 47 HG12 VAL 47 -2.456 -6.007 3.541 343 HG13 VAL 47 HG13 VAL 47 -2.871 -4.328 3.202 344 HG21 VAL 47 HG21 VAL 47 -0.501 -3.936 2.425 345 HG22 VAL 47 HG22 VAL 47 -0.174 -5.636 2.760 346 HG23 VAL 47 HG23 VAL 47 0.835 -4.382 3.483 347 H VAL 48 HN VAL 48 -0.817 -4.202 7.267 348 HA VAL 48 HA VAL 48 -3.314 -4.344 8.408 349 HB VAL 48 HB VAL 48 -0.776 -3.490 9.848 350 HG11 VAL 48 HG11 VAL 48 -3.303 -4.704 10.965 351 HG12 VAL 48 HG12 VAL 48 -2.739 -3.054 11.221 352 HG13 VAL 48 HG13 VAL 48 -1.819 -4.411 11.872 353 HG21 VAL 48 HG21 VAL 48 -0.502 -5.596 8.663 354 HG22 VAL 48 HG22 VAL 48 -1.957 -6.232 9.426 355 HG23 VAL 48 HG23 VAL 48 -0.534 -5.866 10.406 356 H ALA 49 HN ALA 49 -1.188 -1.526 8.588 357 HA ALA 49 HA ALA 49 -3.097 0.053 10.025 358 HB1 ALA 49 HB1 ALA 49 -1.462 1.849 9.863 359 HB2 ALA 49 HB2 ALA 49 -0.511 0.901 8.717 360 HB3 ALA 49 HB3 ALA 49 -0.688 0.352 10.383 361 H ALA 50 HN ALA 50 -2.177 -0.387 6.721 362 HA ALA 50 HA ALA 50 -3.555 1.853 5.672 363 HB1 ALA 50 HB1 ALA 50 -2.840 -0.758 4.333 364 HB2 ALA 50 HB2 ALA 50 -1.817 0.677 4.400 365 HB3 ALA 50 HB3 ALA 50 -3.340 0.720 3.510 366 H GLU 51 HN GLU 51 -4.424 -1.507 6.288 367 HA GLU 51 HA GLU 51 -6.996 -1.523 5.256 368 HB2 GLU 51 HB2 GLU 51 -5.965 -2.958 7.725 369 HB3 GLU 51 HB1 GLU 51 -7.458 -3.351 6.887 370 HG2 GLU 51 HG2 GLU 51 -6.212 -4.020 4.919 371 HG3 GLU 51 HG1 GLU 51 -4.703 -3.537 5.689 372 H GLU 52 HN GLU 52 -5.797 -0.809 8.442 373 HA GLU 52 HA GLU 52 -8.036 -0.003 9.816 374 HB2 GLU 52 HB2 GLU 52 -5.860 -0.401 10.813 375 HB3 GLU 52 HB1 GLU 52 -5.180 0.965 9.954 376 HG2 GLU 52 HG2 GLU 52 -5.489 1.519 12.255 377 HG3 GLU 52 HG1 GLU 52 -6.607 2.466 11.281 378 H ARG 53 HN ARG 53 -5.839 1.882 7.793 379 HA ARG 53 HA ARG 53 -6.986 4.426 8.321 380 HB2 ARG 53 HB2 ARG 53 -4.600 3.930 7.650 381 HB3 ARG 53 HB1 ARG 53 -5.187 3.704 6.014 382 HG2 ARG 53 HG2 ARG 53 -4.305 5.884 6.112 383 HG3 ARG 53 HG1 ARG 53 -6.055 6.086 6.127 384 HD2 ARG 53 HD2 ARG 53 -4.256 6.141 8.569 385 HD3 ARG 53 HD1 ARG 53 -4.890 7.566 7.753 386 HE ARG 53 HE ARG 53 -7.092 6.870 8.413 387 HH11 ARG 53 HH11 ARG 53 -4.358 5.457 10.246 388 HH12 ARG 53 HH12 ARG 53 -5.308 5.042 11.596 389 HH21 ARG 53 HH21 ARG 53 -8.359 6.276 10.299 390 HH22 ARG 53 HH22 ARG 53 -7.670 5.423 11.597 391 H PHE 54 HN PHE 54 -7.186 2.247 5.505 392 HA PHE 54 HA PHE 54 -8.776 4.204 4.042 393 HB2 PHE 54 HB2 PHE 54 -7.910 1.454 3.170 394 HB3 PHE 54 HB1 PHE 54 -8.615 2.703 2.158 395 HD1 PHE 54 HD1 PHE 54 -7.164 5.091 2.895 396 HD2 PHE 54 HD2 PHE 54 -5.810 1.097 2.457 397 HE1 PHE 54 HE1 PHE 54 -4.919 5.935 2.385 398 HE2 PHE 54 HE2 PHE 54 -3.526 1.929 1.945 399 HZ PHE 54 HZ PHE 54 -3.087 4.350 1.914 400 H ASP 55 HN ASP 55 -9.570 1.944 6.289 401 HA ASP 55 HA ASP 55 -11.460 0.811 6.861 402 HB2 ASP 55 HB2 ASP 55 -12.663 2.949 6.294 403 HB3 ASP 55 HB1 ASP 55 -12.773 2.435 4.622 404 H VAL 56 HN VAL 56 -9.572 -0.102 4.970 405 HA VAL 56 HA VAL 56 -11.214 -1.855 3.321 406 HB VAL 56 HB VAL 56 -9.478 -0.348 2.150 407 HG11 VAL 56 HG11 VAL 56 -7.510 -2.268 3.311 408 HG12 VAL 56 HG12 VAL 56 -7.577 -0.513 3.561 409 HG13 VAL 56 HG13 VAL 56 -7.186 -1.187 1.969 410 HG21 VAL 56 HG21 VAL 56 -10.493 -2.176 0.941 411 HG22 VAL 56 HG22 VAL 56 -9.321 -3.310 1.613 412 HG23 VAL 56 HG23 VAL 56 -8.788 -2.046 0.504 413 H LYS 57 HN LYS 57 -9.474 -3.874 2.923 414 HA LYS 57 HA LYS 57 -8.249 -4.851 5.264 415 HB2 LYS 57 HB2 LYS 57 -10.836 -5.141 5.584 416 HB3 LYS 57 HB1 LYS 57 -10.671 -6.364 4.321 417 HG2 LYS 57 HG2 LYS 57 -10.614 -7.440 6.460 418 HG3 LYS 57 HG1 LYS 57 -9.006 -7.533 5.724 419 HD2 LYS 57 HD2 LYS 57 -8.381 -5.492 7.048 420 HD3 LYS 57 HD1 LYS 57 -9.926 -5.632 7.878 421 HE2 LYS 57 HE2 LYS 57 -8.122 -6.625 9.183 422 HE3 LYS 57 HE1 LYS 57 -9.297 -7.842 8.689 423 HZ1 LYS 57 HZ1 LYS 57 -6.800 -7.308 7.196 424 HZ2 LYS 57 HZ2 LYS 57 -7.826 -8.644 7.023 425 HZ3 LYS 57 HZ3 LYS 57 -6.892 -8.468 8.414 426 H ILE 58 HN ILE 58 -6.632 -5.915 4.284 427 HA ILE 58 HA ILE 58 -7.226 -7.269 1.772 428 HB ILE 58 HB ILE 58 -4.663 -5.662 2.029 429 HG12 ILE 58 HG12 ILE 58 -7.196 -4.734 0.634 430 HG13 ILE 58 HG11 ILE 58 -6.600 -4.077 2.151 431 HG21 ILE 58 HG21 ILE 58 -4.801 -7.497 0.365 432 HG22 ILE 58 HG22 ILE 58 -4.669 -5.918 -0.420 433 HG23 ILE 58 HG23 ILE 58 -6.231 -6.721 -0.327 434 HD11 ILE 58 HD11 ILE 58 -6.040 -2.637 0.284 435 HD12 ILE 58 HD12 ILE 58 -5.187 -3.964 -0.503 436 HD13 ILE 58 HD13 ILE 58 -4.579 -3.302 1.013 437 HA PRO 59 HA PRO 59 -5.013 -10.067 4.500 438 HB2 PRO 59 HB2 PRO 59 -5.685 -12.331 3.138 439 HB3 PRO 59 HB1 PRO 59 -6.779 -11.512 4.273 440 HG2 PRO 59 HG2 PRO 59 -6.705 -11.357 1.295 441 HG3 PRO 59 HG1 PRO 59 -8.099 -11.535 2.377 442 HD2 PRO 59 HD2 PRO 59 -7.379 -9.164 1.301 443 HD3 PRO 59 HD1 PRO 59 -8.133 -9.293 2.903 444 H ASP 60 HN ASP 60 -3.278 -11.690 4.069 445 HA ASP 60 HA ASP 60 -1.427 -10.485 2.341 446 HB2 ASP 60 HB2 ASP 60 0.135 -12.285 2.922 447 HB3 ASP 60 HB1 ASP 60 -0.532 -11.463 4.325 448 H ASP 61 HN ASP 61 -3.547 -13.163 1.905 449 HA ASP 61 HA ASP 61 -2.332 -14.209 -0.439 450 HB2 ASP 61 HB2 ASP 61 -4.048 -15.473 0.734 451 HB3 ASP 61 HB1 ASP 61 -5.229 -14.203 0.443 452 H ASP 62 HN ASP 62 -4.517 -11.575 0.128 453 HA ASP 62 HA ASP 62 -5.041 -11.053 -2.654 454 HB2 ASP 62 HB2 ASP 62 -5.829 -9.681 -0.098 455 HB3 ASP 62 HB1 ASP 62 -6.097 -8.916 -1.657 456 H VAL 63 HN VAL 63 -2.987 -9.676 -0.131 457 HA VAL 63 HA VAL 63 -2.306 -7.378 -1.594 458 HB VAL 63 HB VAL 63 -1.978 -7.632 0.887 459 HG11 VAL 63 HG11 VAL 63 0.537 -9.082 0.127 460 HG12 VAL 63 HG12 VAL 63 -0.879 -9.797 0.877 461 HG13 VAL 63 HG13 VAL 63 0.066 -8.585 1.756 462 HG21 VAL 63 HG21 VAL 63 -1.062 -5.730 -0.294 463 HG22 VAL 63 HG22 VAL 63 0.397 -6.650 -0.674 464 HG23 VAL 63 HG23 VAL 63 0.027 -6.238 0.997 465 H LYS 64 HN LYS 64 -1.203 -10.592 -1.902 466 HA LYS 64 HA LYS 64 1.333 -10.190 -2.989 467 HB2 LYS 64 HB2 LYS 64 -0.620 -12.424 -3.565 468 HB3 LYS 64 HB1 LYS 64 1.085 -12.446 -3.997 469 HG2 LYS 64 HG2 LYS 64 1.687 -12.304 -1.652 470 HG3 LYS 64 HG1 LYS 64 -0.018 -12.238 -1.216 471 HD2 LYS 64 HD2 LYS 64 -0.295 -14.469 -2.291 472 HD3 LYS 64 HD1 LYS 64 1.462 -14.527 -2.488 473 HE2 LYS 64 HE2 LYS 64 1.745 -14.273 -0.081 474 HE3 LYS 64 HE1 LYS 64 -0.002 -14.204 0.123 475 HZ1 LYS 64 HZ1 LYS 64 0.554 -16.368 0.612 476 HZ2 LYS 64 HZ2 LYS 64 1.692 -16.488 -0.624 477 HZ3 LYS 64 HZ3 LYS 64 0.056 -16.515 -1.005 478 H ASN 65 HN ASN 65 -1.695 -9.421 -4.229 479 HA ASN 65 HA ASN 65 -1.098 -9.774 -7.054 480 HB2 ASN 65 HB2 ASN 65 -3.501 -8.491 -5.740 481 HB3 ASN 65 HB1 ASN 65 -3.352 -8.941 -7.432 482 HD21 ASN 65 HD21 ASN 65 -2.058 -11.516 -6.883 483 HD22 ASN 65 HD22 ASN 65 -3.260 -12.520 -6.176 484 H LEU 66 HN LEU 66 -0.221 -7.517 -4.813 485 HA LEU 66 HA LEU 66 -0.773 -5.263 -6.524 486 HB2 LEU 66 HB2 LEU 66 0.299 -5.385 -3.721 487 HB3 LEU 66 HB1 LEU 66 0.092 -3.893 -4.626 488 HG LEU 66 HG LEU 66 -2.120 -5.818 -3.903 489 HD11 LEU 66 HD11 LEU 66 -1.332 -4.562 -1.988 490 HD12 LEU 66 HD12 LEU 66 -2.936 -4.027 -2.484 491 HD13 LEU 66 HD13 LEU 66 -1.513 -3.059 -2.888 492 HD21 LEU 66 HD21 LEU 66 -3.598 -4.128 -4.835 493 HD22 LEU 66 HD22 LEU 66 -2.485 -4.763 -6.049 494 HD23 LEU 66 HD23 LEU 66 -2.199 -3.178 -5.332 495 H LYS 67 HN LYS 67 0.926 -3.579 -6.795 496 HA LYS 67 HA LYS 67 3.563 -4.676 -7.265 497 HB2 LYS 67 HB2 LYS 67 2.316 -5.228 -9.236 498 HB3 LYS 67 HB1 LYS 67 1.638 -3.615 -9.312 499 HG2 LYS 67 HG2 LYS 67 4.038 -2.836 -9.615 500 HG3 LYS 67 HG1 LYS 67 4.384 -4.540 -9.999 501 HD2 LYS 67 HD2 LYS 67 2.579 -4.496 -11.658 502 HD3 LYS 67 HD1 LYS 67 2.307 -2.796 -11.237 503 HE2 LYS 67 HE2 LYS 67 4.529 -2.260 -11.937 504 HE3 LYS 67 HE1 LYS 67 4.809 -3.941 -12.412 505 HZ1 LYS 67 HZ1 LYS 67 2.863 -3.690 -13.951 506 HZ2 LYS 67 HZ2 LYS 67 4.173 -2.669 -14.342 507 HZ3 LYS 67 HZ3 LYS 67 2.835 -2.051 -13.543 508 H THR 68 HN THR 68 1.757 -1.853 -8.544 509 HA THR 68 HA THR 68 3.668 -0.101 -7.173 510 HB THR 68 HB THR 68 2.851 1.664 -8.693 511 HG1 THR 68 HG1 THR 68 1.203 -0.361 -9.885 512 HG21 THR 68 HG21 THR 68 3.522 -0.871 -10.211 513 HG22 THR 68 HG22 THR 68 4.690 0.251 -9.517 514 HG23 THR 68 HG23 THR 68 3.651 0.769 -10.845 515 H VAL 69 HN VAL 69 2.334 2.164 -6.680 516 HA VAL 69 HA VAL 69 0.148 1.193 -5.150 517 HB VAL 69 HB VAL 69 -0.170 3.239 -4.043 518 HG11 VAL 69 HG11 VAL 69 2.738 2.720 -4.293 519 HG12 VAL 69 HG12 VAL 69 1.558 1.978 -3.198 520 HG13 VAL 69 HG13 VAL 69 1.958 3.689 -3.034 521 HG21 VAL 69 HG21 VAL 69 1.099 5.278 -4.501 522 HG22 VAL 69 HG22 VAL 69 -0.015 4.824 -5.782 523 HG23 VAL 69 HG23 VAL 69 1.718 4.529 -5.973 524 H GLY 70 HN GLY 70 0.521 2.191 -8.252 525 HA2 GLY 70 HA2 GLY 70 -1.987 3.483 -8.634 526 HA3 GLY 70 HA1 GLY 70 -1.024 2.659 -9.871 527 H ASP 71 HN ASP 71 -0.719 0.265 -8.929 528 HA ASP 71 HA ASP 71 -3.082 -1.170 -9.424 529 HB2 ASP 71 HB2 ASP 71 -0.616 -2.075 -7.916 530 HB3 ASP 71 HB1 ASP 71 -1.886 -3.135 -8.507 531 H ALA 72 HN ALA 72 -1.383 -0.327 -6.469 532 HA ALA 72 HA ALA 72 -3.045 -1.648 -4.669 533 HB1 ALA 72 HB1 ALA 72 -1.479 0.864 -4.112 534 HB2 ALA 72 HB2 ALA 72 -0.814 -0.771 -4.085 535 HB3 ALA 72 HB3 ALA 72 -2.061 -0.305 -2.926 536 H THR 73 HN THR 73 -3.180 1.734 -5.770 537 HA THR 73 HA THR 73 -5.203 2.635 -4.184 538 HB THR 73 HB THR 73 -4.657 3.372 -7.078 539 HG1 THR 73 HG1 THR 73 -2.908 3.782 -5.684 540 HG21 THR 73 HG21 THR 73 -6.904 4.088 -6.401 541 HG22 THR 73 HG22 THR 73 -5.832 5.483 -6.558 542 HG23 THR 73 HG23 THR 73 -6.236 4.846 -4.961 543 H LYS 74 HN LYS 74 -5.611 1.391 -7.509 544 HA LYS 74 HA LYS 74 -8.394 1.319 -7.567 545 HB2 LYS 74 HB2 LYS 74 -6.280 -0.160 -9.083 546 HB3 LYS 74 HB1 LYS 74 -7.959 -0.621 -9.270 547 HG2 LYS 74 HG2 LYS 74 -7.256 0.859 -11.047 548 HG3 LYS 74 HG1 LYS 74 -8.497 1.617 -10.061 549 HD2 LYS 74 HD2 LYS 74 -6.772 2.955 -8.942 550 HD3 LYS 74 HD1 LYS 74 -5.532 2.156 -9.912 551 HE2 LYS 74 HE2 LYS 74 -6.539 2.989 -11.956 552 HE3 LYS 74 HE1 LYS 74 -7.826 3.756 -11.032 553 HZ1 LYS 74 HZ1 LYS 74 -4.950 4.446 -10.786 554 HZ2 LYS 74 HZ2 LYS 74 -6.284 5.315 -10.131 555 HZ3 LYS 74 HZ3 LYS 74 -6.037 5.225 -11.793 556 H TYR 75 HN TYR 75 -6.095 -1.067 -6.478 557 HA TYR 75 HA TYR 75 -7.864 -3.254 -6.234 558 HB2 TYR 75 HB2 TYR 75 -5.314 -3.236 -6.251 559 HB3 TYR 75 HB1 TYR 75 -5.422 -2.777 -4.558 560 HD1 TYR 75 HD2 TYR 75 -6.354 -4.387 -2.902 561 HD2 TYR 75 HD1 TYR 75 -5.717 -5.423 -6.970 562 HE1 TYR 75 HE2 TYR 75 -6.491 -6.726 -2.298 563 HE2 TYR 75 HE1 TYR 75 -5.848 -7.793 -6.406 564 HH TYR 75 HH TYR 75 -5.460 -9.183 -4.434 565 H ILE 76 HN ILE 76 -6.603 -0.904 -3.924 566 HA ILE 76 HA ILE 76 -8.025 -1.795 -1.683 567 HB ILE 76 HB ILE 76 -6.917 0.954 -2.354 568 HG12 ILE 76 HG12 ILE 76 -5.848 -1.218 -0.540 569 HG13 ILE 76 HG11 ILE 76 -5.289 -0.921 -2.181 570 HG21 ILE 76 HG21 ILE 76 -8.689 1.159 -0.687 571 HG22 ILE 76 HG22 ILE 76 -7.109 1.468 0.040 572 HG23 ILE 76 HG23 ILE 76 -7.915 -0.077 0.307 573 HD11 ILE 76 HD11 ILE 76 -3.773 0.009 -0.540 574 HD12 ILE 76 HD12 ILE 76 -5.080 0.985 0.137 575 HD13 ILE 76 HD13 ILE 76 -4.511 1.286 -1.509 576 H LEU 77 HN LEU 77 -8.725 0.723 -4.087 577 HA LEU 77 HA LEU 77 -11.092 1.645 -3.069 578 HB2 LEU 77 HB2 LEU 77 -10.255 1.388 -5.944 579 HB3 LEU 77 HB1 LEU 77 -11.720 2.209 -5.452 580 HG LEU 77 HG LEU 77 -8.918 3.015 -4.677 581 HD11 LEU 77 HD11 LEU 77 -9.382 3.406 -7.031 582 HD12 LEU 77 HD12 LEU 77 -9.320 4.931 -6.145 583 HD13 LEU 77 HD13 LEU 77 -10.876 4.243 -6.610 584 HD21 LEU 77 HD21 LEU 77 -10.557 3.569 -2.960 585 HD22 LEU 77 HD22 LEU 77 -11.576 4.347 -4.170 586 HD23 LEU 77 HD23 LEU 77 -9.992 5.023 -3.781 587 H ASP 78 HN ASP 78 -10.625 -0.998 -5.368 588 HA ASP 78 HA ASP 78 -13.349 -1.741 -5.588 589 HB2 ASP 78 HB2 ASP 78 -10.779 -3.102 -6.291 590 HB3 ASP 78 HB1 ASP 78 -12.278 -4.010 -6.325 591 H HIS 79 HN HIS 79 -10.792 -2.752 -3.442 592 HA HIS 79 HA HIS 79 -12.241 -5.032 -2.457 593 HB2 HIS 79 HB2 HIS 79 -9.620 -4.399 -2.473 594 HB3 HIS 79 HB1 HIS 79 -10.033 -3.991 -0.814 595 HD1 HIS 79 HD1 HIS 79 -10.618 -6.000 0.800 596 HD2 HIS 79 HD2 HIS 79 -9.780 -7.105 -3.129 597 HE1 HIS 79 HE1 HIS 79 -10.308 -8.468 0.839 598 HE2 HIS 79 HE2 HIS 79 -9.404 -8.991 -1.470 599 H GLN 80 HN GLN 80 -11.846 -1.700 -1.417 600 HA GLN 80 HA GLN 80 -12.759 -2.142 1.275 601 HB2 GLN 80 HB2 GLN 80 -12.627 0.273 1.543 602 HB3 GLN 80 HB1 GLN 80 -11.208 -0.337 0.709 603 HG2 GLN 80 HG2 GLN 80 -12.128 0.402 -1.422 604 HG3 GLN 80 HG1 GLN 80 -13.568 0.987 -0.603 605 HE21 GLN 80 HE21 GLN 80 -10.367 1.341 0.731 606 HE22 GLN 80 HE22 GLN 80 -10.290 3.050 0.528 607 H ALA 81 HN ALA 81 -14.458 -0.072 1.819 608 HA ALA 81 HA ALA 81 -16.526 0.498 2.026 609 HB1 ALA 81 HB1 ALA 81 -18.074 0.565 0.137 610 HB2 ALA 81 HB2 ALA 81 -17.019 -0.497 -0.794 611 HB3 ALA 81 HB3 ALA 81 -16.481 1.128 -0.369 612 H2 SOO 101 H2A SOO 101 4.724 -4.263 -1.352 613 H3 SOO 101 H3A SOO 101 1.893 -5.286 -2.053 614 H4 SOO 101 H4A SOO 101 2.707 -3.477 0.121 615 H4A SOO 101 H4B SOO 101 2.668 -2.536 -1.374 616 H5 SOO 101 H5A SOO 101 0.390 -4.197 -0.330 617 H5A SOO 101 H5B SOO 101 0.368 -3.140 -1.739 618 H6 SOO 101 H6A SOO 101 0.739 -1.200 -0.318 619 H6A SOO 101 H6B SOO 101 0.803 -2.244 1.106 620 H7 SOO 101 H7A SOO 101 -1.513 -2.954 0.679 621 H7A SOO 101 H7B SOO 101 -1.571 -1.885 -0.733 622 H8 SOO 101 H8C SOO 101 -2.598 -0.847 1.224 623 H8A SOO 101 H8A SOO 101 -1.152 0.031 0.725 624 H8B SOO 101 H8B SOO 101 -1.092 -1.048 2.122 625 H28 SOO 101 H28A SOO 101 10.811 -11.344 1.437 626 H28A SOO 101 H28B SOO 101 9.271 -10.489 1.384 627 H30 SOO 101 H30A SOO 101 7.850 -12.651 -1.332 628 H30A SOO 101 H30B SOO 101 8.866 -11.243 -1.642 629 H30B SOO 101 H30C SOO 101 7.594 -11.164 -0.419 630 H31 SOO 101 H31A SOO 101 9.915 -14.015 -0.936 631 H31A SOO 101 H31B SOO 101 11.109 -13.466 0.239 632 H31B SOO 101 H31C SOO 101 10.880 -12.576 -1.268 633 H32 SOO 101 H32A SOO 101 8.192 -14.065 0.838 634 HO33 SOO 101 H33A SOO 101 9.203 -13.088 3.064 635 HN36 SOO 101 H36A SOO 101 6.296 -12.569 0.514 636 H37 SOO 101 H37A SOO 101 4.989 -12.022 2.953 637 H37A SOO 101 H37B SOO 101 5.507 -10.511 2.257 638 H38 SOO 101 H38A SOO 101 3.671 -12.579 0.950 639 H38A SOO 101 H38B SOO 101 3.239 -11.026 1.695 640 HN41 SOO 101 H41A SOO 101 5.431 -9.675 0.609 641 H42 SOO 101 H42A SOO 101 5.845 -9.576 -2.088 642 H42A SOO 101 H42B SOO 101 4.306 -8.762 -1.841 643 H43 SOO 101 H43A SOO 101 6.930 -7.976 -0.591 644 H43A SOO 101 H43B SOO 101 5.351 -7.317 -0.169 Start of MODEL 20 1 H1 ALA 1 HT1 ALA 1 -16.865 4.477 -0.267 2 H2 ALA 1 HT2 ALA 1 -16.512 6.164 -0.211 3 H3 ALA 1 HT3 ALA 1 -15.922 5.128 0.971 4 HA ALA 1 HA ALA 1 -14.498 4.037 -0.463 5 HB1 ALA 1 HB1 ALA 1 -15.588 5.849 -2.615 6 HB2 ALA 1 HB2 ALA 1 -15.873 4.113 -2.488 7 HB3 ALA 1 HB3 ALA 1 -14.244 4.721 -2.791 8 H ALA 2 HN ALA 2 -12.449 4.862 -0.854 9 HA ALA 2 HA ALA 2 -12.043 7.579 0.176 10 HB1 ALA 2 HB1 ALA 2 -10.074 5.318 -0.286 11 HB2 ALA 2 HB2 ALA 2 -10.762 5.783 1.269 12 HB3 ALA 2 HB3 ALA 2 -9.681 6.887 0.414 13 H THR 3 HN THR 3 -10.169 8.766 -1.040 14 HA THR 3 HA THR 3 -10.690 8.421 -3.869 15 HB THR 3 HB THR 3 -9.458 10.563 -4.121 16 HG1 THR 3 HG1 THR 3 -9.145 11.670 -1.976 17 HG21 THR 3 HG21 THR 3 -11.888 10.620 -3.782 18 HG22 THR 3 HG22 THR 3 -11.117 12.015 -3.026 19 HG23 THR 3 HG23 THR 3 -11.648 10.654 -2.035 20 H GLN 4 HN GLN 4 -8.558 8.948 -5.224 21 HA GLN 4 HA GLN 4 -6.686 6.947 -4.598 22 HB2 GLN 4 HB2 GLN 4 -7.193 7.357 -6.872 23 HB3 GLN 4 HB1 GLN 4 -6.949 9.076 -6.726 24 HG2 GLN 4 HG2 GLN 4 -4.581 7.395 -6.205 25 HG3 GLN 4 HG1 GLN 4 -5.213 7.339 -7.849 26 HE21 GLN 4 HE21 GLN 4 -3.704 9.339 -5.437 27 HE22 GLN 4 HE22 GLN 4 -3.310 10.635 -6.521 28 H GLU 5 HN GLU 5 -6.936 10.385 -4.255 29 HA GLU 5 HA GLU 5 -4.346 10.976 -3.381 30 HB2 GLU 5 HB2 GLU 5 -5.942 12.701 -3.983 31 HB3 GLU 5 HB1 GLU 5 -6.978 12.245 -2.640 32 HG2 GLU 5 HG2 GLU 5 -5.273 12.973 -1.067 33 HG3 GLU 5 HG1 GLU 5 -4.210 13.397 -2.406 34 H GLU 6 HN GLU 6 -7.226 9.971 -1.503 35 HA GLU 6 HA GLU 6 -5.971 10.084 1.003 36 HB2 GLU 6 HB2 GLU 6 -8.304 8.407 0.076 37 HB3 GLU 6 HB1 GLU 6 -7.782 8.524 1.750 38 HG2 GLU 6 HG2 GLU 6 -8.734 10.808 0.043 39 HG3 GLU 6 HG1 GLU 6 -9.680 9.976 1.277 40 H ILE 7 HN ILE 7 -6.303 7.466 -1.312 41 HA ILE 7 HA ILE 7 -5.021 5.521 0.248 42 HB ILE 7 HB ILE 7 -5.312 5.745 -2.760 43 HG12 ILE 7 HG12 ILE 7 -6.767 4.095 -0.681 44 HG13 ILE 7 HG11 ILE 7 -7.392 5.541 -1.464 45 HG21 ILE 7 HG21 ILE 7 -4.710 3.360 -2.859 46 HG22 ILE 7 HG22 ILE 7 -4.366 3.374 -1.131 47 HG23 ILE 7 HG23 ILE 7 -3.374 4.328 -2.234 48 HD11 ILE 7 HD11 ILE 7 -8.324 3.511 -2.410 49 HD12 ILE 7 HD12 ILE 7 -6.705 2.958 -2.840 50 HD13 ILE 7 HD13 ILE 7 -7.379 4.403 -3.597 51 H VAL 8 HN VAL 8 -3.679 7.363 -2.480 52 HA VAL 8 HA VAL 8 -1.060 6.456 -2.291 53 HB VAL 8 HB VAL 8 -2.112 9.106 -3.335 54 HG11 VAL 8 HG11 VAL 8 -0.064 9.240 -4.638 55 HG12 VAL 8 HG12 VAL 8 0.550 7.785 -3.850 56 HG13 VAL 8 HG13 VAL 8 0.296 9.260 -2.910 57 HG21 VAL 8 HG21 VAL 8 -1.448 6.512 -4.701 58 HG22 VAL 8 HG22 VAL 8 -1.938 8.003 -5.511 59 HG23 VAL 8 HG23 VAL 8 -3.056 7.178 -4.431 60 H ALA 9 HN ALA 9 -2.298 9.567 -1.019 61 HA ALA 9 HA ALA 9 0.135 10.256 0.239 62 HB1 ALA 9 HB1 ALA 9 -1.136 12.039 1.305 63 HB2 ALA 9 HB2 ALA 9 -2.642 11.260 0.802 64 HB3 ALA 9 HB3 ALA 9 -1.540 11.906 -0.410 65 H GLY 10 HN GLY 10 -2.724 8.513 1.367 66 HA2 GLY 10 HA2 GLY 10 -2.061 8.619 4.131 67 HA3 GLY 10 HA1 GLY 10 -3.246 7.569 3.366 68 H LEU 11 HN LEU 11 -1.643 6.258 1.546 69 HA LEU 11 HA LEU 11 -0.597 4.082 2.892 70 HB2 LEU 11 HB2 LEU 11 -0.885 4.949 0.260 71 HB3 LEU 11 HB1 LEU 11 0.840 4.670 0.423 72 HG LEU 11 HG LEU 11 -1.363 2.663 1.022 73 HD11 LEU 11 HD11 LEU 11 -0.637 1.515 -1.002 74 HD12 LEU 11 HD12 LEU 11 0.480 2.837 -1.343 75 HD13 LEU 11 HD13 LEU 11 -1.262 3.128 -1.337 76 HD21 LEU 11 HD21 LEU 11 0.430 0.998 1.116 77 HD22 LEU 11 HD22 LEU 11 0.640 2.245 2.347 78 HD23 LEU 11 HD23 LEU 11 1.626 2.273 0.885 79 H ALA 12 HN ALA 12 0.978 6.843 1.504 80 HA ALA 12 HA ALA 12 3.609 6.238 2.055 81 HB1 ALA 12 HB1 ALA 12 4.035 8.525 1.685 82 HB2 ALA 12 HB2 ALA 12 2.327 8.922 1.918 83 HB3 ALA 12 HB3 ALA 12 2.836 7.936 0.534 84 H GLU 13 HN GLU 13 1.180 7.739 4.087 85 HA GLU 13 HA GLU 13 2.962 8.680 6.067 86 HB2 GLU 13 HB2 GLU 13 0.039 7.978 6.233 87 HB3 GLU 13 HB1 GLU 13 0.944 8.768 7.519 88 HG2 GLU 13 HG2 GLU 13 1.426 10.631 6.038 89 HG3 GLU 13 HG1 GLU 13 0.524 9.840 4.748 90 H ILE 14 HN ILE 14 1.132 5.697 5.728 91 HA ILE 14 HA ILE 14 2.184 4.652 8.180 92 HB ILE 14 HB ILE 14 0.644 3.234 5.955 93 HG12 ILE 14 HG12 ILE 14 -1.110 2.969 7.765 94 HG13 ILE 14 HG11 ILE 14 -0.149 4.036 8.769 95 HG21 ILE 14 HG21 ILE 14 0.467 1.291 7.436 96 HG22 ILE 14 HG22 ILE 14 1.558 2.075 8.579 97 HG23 ILE 14 HG23 ILE 14 2.136 1.626 6.974 98 HD11 ILE 14 HD11 ILE 14 -1.451 4.747 6.152 99 HD12 ILE 14 HD12 ILE 14 -0.498 5.840 7.155 100 HD13 ILE 14 HD13 ILE 14 -2.024 5.193 7.758 101 H VAL 15 HN VAL 15 3.012 4.413 4.797 102 HA VAL 15 HA VAL 15 5.017 2.471 5.015 103 HB VAL 15 HB VAL 15 4.714 4.735 3.006 104 HG11 VAL 15 HG11 VAL 15 6.363 3.558 1.626 105 HG12 VAL 15 HG12 VAL 15 6.642 2.405 2.936 106 HG13 VAL 15 HG13 VAL 15 7.069 4.106 3.144 107 HG21 VAL 15 HG21 VAL 15 2.989 3.020 2.929 108 HG22 VAL 15 HG22 VAL 15 4.227 1.769 2.809 109 HG23 VAL 15 HG23 VAL 15 4.023 2.936 1.502 110 H ASN 16 HN ASN 16 5.118 5.952 5.397 111 HA ASN 16 HA ASN 16 7.876 6.291 5.585 112 HB2 ASN 16 HB2 ASN 16 6.083 8.055 5.308 113 HB3 ASN 16 HB1 ASN 16 5.833 7.941 7.046 114 HD21 ASN 16 HD21 ASN 16 7.961 8.845 4.540 115 HD22 ASN 16 HD22 ASN 16 9.017 9.865 5.439 116 H GLU 17 HN GLU 17 5.498 5.476 8.073 117 HA GLU 17 HA GLU 17 7.500 5.715 10.114 118 HB2 GLU 17 HB2 GLU 17 5.724 4.992 11.693 119 HB3 GLU 17 HB1 GLU 17 5.347 6.432 10.771 120 HG2 GLU 17 HG2 GLU 17 3.867 5.155 9.339 121 HG3 GLU 17 HG1 GLU 17 4.302 3.670 10.183 122 H ILE 18 HN ILE 18 6.321 3.135 8.186 123 HA ILE 18 HA ILE 18 7.570 1.182 10.012 124 HB ILE 18 HB ILE 18 5.680 0.720 7.693 125 HG12 ILE 18 HG12 ILE 18 5.349 0.446 10.688 126 HG13 ILE 18 HG11 ILE 18 4.634 1.698 9.683 127 HG21 ILE 18 HG21 ILE 18 7.273 -1.143 7.886 128 HG22 ILE 18 HG22 ILE 18 5.659 -1.642 8.405 129 HG23 ILE 18 HG23 ILE 18 6.902 -1.288 9.606 130 HD11 ILE 18 HD11 ILE 18 3.292 0.013 8.549 131 HD12 ILE 18 HD12 ILE 18 3.017 -0.030 10.296 132 HD13 ILE 18 HD13 ILE 18 4.047 -1.241 9.522 133 H ALA 19 HN ALA 19 7.532 1.924 6.519 134 HA ALA 19 HA ALA 19 9.907 0.294 6.144 135 HB1 ALA 19 HB1 ALA 19 8.121 0.205 4.468 136 HB2 ALA 19 HB2 ALA 19 9.631 0.791 3.770 137 HB3 ALA 19 HB3 ALA 19 8.337 1.926 4.149 138 H GLY 20 HN GLY 20 8.930 3.624 6.202 139 HA2 GLY 20 HA2 GLY 20 10.340 5.406 6.824 140 HA3 GLY 20 HA1 GLY 20 11.732 4.396 6.463 141 H ILE 21 HN ILE 21 9.089 4.749 4.231 142 HA ILE 21 HA ILE 21 10.949 6.023 2.373 143 HB ILE 21 HB ILE 21 8.247 4.723 1.859 144 HG12 ILE 21 HG12 ILE 21 9.915 3.068 2.481 145 HG13 ILE 21 HG11 ILE 21 9.540 2.918 0.771 146 HG21 ILE 21 HG21 ILE 21 10.246 5.765 -0.144 147 HG22 ILE 21 HG22 ILE 21 8.663 6.454 0.210 148 HG23 ILE 21 HG23 ILE 21 8.783 4.859 -0.533 149 HD11 ILE 21 HD11 ILE 21 11.918 2.658 1.181 150 HD12 ILE 21 HD12 ILE 21 11.976 4.248 1.943 151 HD13 ILE 21 HD13 ILE 21 11.606 4.107 0.225 152 HA PRO 22 HA PRO 22 9.293 10.118 3.008 153 HB2 PRO 22 HB2 PRO 22 9.652 10.187 0.037 154 HB3 PRO 22 HB1 PRO 22 10.124 11.385 1.250 155 HG2 PRO 22 HG2 PRO 22 11.938 9.760 0.214 156 HG3 PRO 22 HG1 PRO 22 11.962 10.155 1.944 157 HD2 PRO 22 HD2 PRO 22 11.132 7.643 0.584 158 HD3 PRO 22 HD1 PRO 22 11.877 7.875 2.178 159 H VAL 23 HN VAL 23 7.389 11.165 2.793 160 HA VAL 23 HA VAL 23 5.228 9.486 2.070 161 HB VAL 23 HB VAL 23 3.731 11.308 2.841 162 HG11 VAL 23 HG11 VAL 23 4.551 9.642 4.385 163 HG12 VAL 23 HG12 VAL 23 4.419 11.213 5.174 164 HG13 VAL 23 HG13 VAL 23 5.999 10.604 4.679 165 HG21 VAL 23 HG21 VAL 23 5.087 13.214 2.171 166 HG22 VAL 23 HG22 VAL 23 6.323 12.753 3.337 167 HG23 VAL 23 HG23 VAL 23 4.734 13.281 3.899 168 H GLU 24 HN GLU 24 6.802 12.028 0.405 169 HA GLU 24 HA GLU 24 4.664 12.034 -1.561 170 HB2 GLU 24 HB2 GLU 24 7.077 13.797 -1.210 171 HB3 GLU 24 HB1 GLU 24 6.044 13.858 -2.640 172 HG2 GLU 24 HG2 GLU 24 5.119 14.259 0.181 173 HG3 GLU 24 HG1 GLU 24 5.450 15.564 -0.968 174 H ASP 25 HN ASP 25 6.885 10.016 -0.892 175 HA ASP 25 HA ASP 25 7.774 9.717 -3.653 176 HB2 ASP 25 HB2 ASP 25 9.546 9.868 -1.899 177 HB3 ASP 25 HB1 ASP 25 8.949 8.358 -1.220 178 H VAL 26 HN VAL 26 5.512 8.365 -1.351 179 HA VAL 26 HA VAL 26 5.430 5.881 -2.773 180 HB VAL 26 HB VAL 26 3.757 6.978 -0.469 181 HG11 VAL 26 HG11 VAL 26 3.037 4.666 -0.129 182 HG12 VAL 26 HG12 VAL 26 3.966 4.168 -1.541 183 HG13 VAL 26 HG13 VAL 26 2.585 5.250 -1.729 184 HG21 VAL 26 HG21 VAL 26 6.073 5.054 -0.400 185 HG22 VAL 26 HG22 VAL 26 5.060 5.495 0.977 186 HG23 VAL 26 HG23 VAL 26 6.073 6.711 0.203 187 H LYS 27 HN LYS 27 4.973 6.819 -4.685 188 HA LYS 27 HA LYS 27 2.371 8.111 -4.966 189 HB2 LYS 27 HB2 LYS 27 4.990 8.615 -6.358 190 HB3 LYS 27 HB1 LYS 27 3.454 9.169 -7.008 191 HG2 LYS 27 HG2 LYS 27 4.330 9.864 -4.226 192 HG3 LYS 27 HG1 LYS 27 4.791 10.831 -5.631 193 HD2 LYS 27 HD2 LYS 27 2.482 11.263 -6.159 194 HD3 LYS 27 HD1 LYS 27 1.944 10.151 -4.900 195 HE2 LYS 27 HE2 LYS 27 3.641 12.534 -4.235 196 HE3 LYS 27 HE1 LYS 27 1.898 12.695 -4.434 197 HZ1 LYS 27 HZ1 LYS 27 2.685 12.319 -2.098 198 HZ2 LYS 27 HZ2 LYS 27 3.054 10.706 -2.525 199 HZ3 LYS 27 HZ3 LYS 27 1.481 11.320 -2.676 200 H LEU 28 HN LEU 28 1.639 7.918 -7.380 201 HA LEU 28 HA LEU 28 0.648 5.393 -7.600 202 HB2 LEU 28 HB2 LEU 28 0.840 7.530 -9.691 203 HB3 LEU 28 HB1 LEU 28 -0.031 6.032 -9.944 204 HG LEU 28 HG LEU 28 -0.668 8.031 -7.756 205 HD11 LEU 28 HD11 LEU 28 -2.644 8.547 -9.080 206 HD12 LEU 28 HD12 LEU 28 -2.064 7.492 -10.369 207 HD13 LEU 28 HD13 LEU 28 -1.167 8.963 -9.953 208 HD21 LEU 28 HD21 LEU 28 -2.708 6.734 -7.499 209 HD22 LEU 28 HD22 LEU 28 -1.284 5.738 -7.207 210 HD23 LEU 28 HD23 LEU 28 -2.158 5.602 -8.735 211 H ASP 29 HN ASP 29 3.470 6.565 -9.410 212 HA ASP 29 HA ASP 29 3.541 3.984 -10.813 213 HB2 ASP 29 HB2 ASP 29 3.692 6.176 -12.060 214 HB3 ASP 29 HB1 ASP 29 5.247 6.435 -11.289 215 H LYS 30 HN LYS 30 4.291 4.293 -7.970 216 HA LYS 30 HA LYS 30 7.152 3.627 -8.065 217 HB2 LYS 30 HB2 LYS 30 5.406 4.416 -5.728 218 HB3 LYS 30 HB1 LYS 30 7.128 4.094 -5.661 219 HG2 LYS 30 HG2 LYS 30 5.957 6.274 -7.356 220 HG3 LYS 30 HG1 LYS 30 6.390 6.511 -5.668 221 HD2 LYS 30 HD2 LYS 30 8.286 5.591 -7.823 222 HD3 LYS 30 HD1 LYS 30 8.129 7.258 -7.265 223 HE2 LYS 30 HE2 LYS 30 8.639 6.371 -4.943 224 HE3 LYS 30 HE1 LYS 30 9.101 4.863 -5.727 225 HZ1 LYS 30 HZ1 LYS 30 11.052 6.181 -5.419 226 HZ2 LYS 30 HZ2 LYS 30 10.313 7.523 -6.008 227 HZ3 LYS 30 HZ3 LYS 30 10.710 6.263 -7.082 228 H SER 31 HN SER 31 7.464 1.476 -8.100 229 HA SER 31 HA SER 31 5.381 -0.328 -7.342 230 HB2 SER 31 HB2 SER 31 8.215 -0.900 -8.207 231 HB3 SER 31 HB1 SER 31 6.860 -2.026 -8.188 232 HG SER 31 HG SER 31 7.625 -0.597 -10.142 233 H PHE 32 HN PHE 32 5.331 -1.640 -5.614 234 HA PHE 32 HA PHE 32 7.018 -1.081 -3.406 235 HB2 PHE 32 HB2 PHE 32 5.085 -3.370 -3.772 236 HB3 PHE 32 HB1 PHE 32 5.887 -2.941 -2.284 237 HD1 PHE 32 HD2 PHE 32 3.302 -1.915 -4.646 238 HD2 PHE 32 HD1 PHE 32 5.224 -1.075 -0.957 239 HE1 PHE 32 HE2 PHE 32 1.481 -0.365 -4.056 240 HE2 PHE 32 HE1 PHE 32 3.416 0.473 -0.360 241 HZ PHE 32 HZ PHE 32 1.562 0.848 -1.906 242 H THR 33 HN THR 33 8.120 -2.856 -2.372 243 HA THR 33 HA THR 33 10.169 -3.845 -2.356 244 HB THR 33 HB THR 33 10.247 -6.125 -3.416 245 HG1 THR 33 HG1 THR 33 8.215 -5.100 -4.899 246 HG21 THR 33 HG21 THR 33 7.729 -5.443 -1.908 247 HG22 THR 33 HG22 THR 33 9.304 -5.800 -1.199 248 HG23 THR 33 HG23 THR 33 8.422 -7.057 -2.070 249 H ASP 34 HN ASP 34 9.997 -1.760 -4.410 250 HA ASP 34 HA ASP 34 12.340 -2.489 -5.936 251 HB2 ASP 34 HB2 ASP 34 10.485 -3.234 -7.392 252 HB3 ASP 34 HB1 ASP 34 9.782 -1.625 -7.317 253 H ASP 35 HN ASP 35 9.860 0.093 -6.314 254 HA ASP 35 HA ASP 35 11.932 2.103 -6.266 255 HB2 ASP 35 HB2 ASP 35 8.920 2.368 -6.370 256 HB3 ASP 35 HB1 ASP 35 10.050 3.702 -6.483 257 H LEU 36 HN LEU 36 9.326 0.939 -4.341 258 HA LEU 36 HA LEU 36 9.893 2.867 -2.222 259 HB2 LEU 36 HB2 LEU 36 7.757 0.736 -2.362 260 HB3 LEU 36 HB1 LEU 36 7.855 2.047 -1.212 261 HG LEU 36 HG LEU 36 7.342 2.309 -4.158 262 HD11 LEU 36 HD11 LEU 36 5.495 1.353 -2.940 263 HD12 LEU 36 HD12 LEU 36 5.113 2.997 -3.467 264 HD13 LEU 36 HD13 LEU 36 5.539 2.682 -1.781 265 HD21 LEU 36 HD21 LEU 36 7.468 4.393 -1.987 266 HD22 LEU 36 HD22 LEU 36 6.940 4.658 -3.658 267 HD23 LEU 36 HD23 LEU 36 8.600 4.156 -3.325 268 H ASP 37 HN ASP 37 9.158 -0.511 -2.481 269 HA ASP 37 HA ASP 37 9.598 -2.332 -1.291 270 HB2 ASP 37 HB2 ASP 37 11.886 -2.248 -2.091 271 HB3 ASP 37 HB1 ASP 37 12.328 -1.126 -0.792 272 H VAL 38 HN VAL 38 8.561 -2.788 0.355 273 HA VAL 38 HA VAL 38 8.949 -1.143 2.747 274 HB VAL 38 HB VAL 38 6.624 -3.004 2.181 275 HG11 VAL 38 HG11 VAL 38 6.973 -2.448 4.528 276 HG12 VAL 38 HG12 VAL 38 5.501 -1.684 3.930 277 HG13 VAL 38 HG13 VAL 38 6.968 -0.729 4.135 278 HG21 VAL 38 HG21 VAL 38 5.296 -1.022 1.583 279 HG22 VAL 38 HG22 VAL 38 6.633 -1.272 0.460 280 HG23 VAL 38 HG23 VAL 38 6.745 -0.023 1.700 281 H ASP 39 HN ASP 39 10.921 -2.884 2.108 282 HA ASP 39 HA ASP 39 12.254 -4.500 2.939 283 HB2 ASP 39 HB2 ASP 39 11.550 -3.228 5.043 284 HB3 ASP 39 HB1 ASP 39 10.343 -4.510 5.202 285 H SER 40 HN SER 40 9.906 -5.018 1.541 286 HA SER 40 HA SER 40 8.480 -6.502 0.643 287 HB2 SER 40 HB2 SER 40 9.337 -8.768 0.218 288 HB3 SER 40 HB1 SER 40 10.474 -7.487 -0.182 289 H LEU 41 HN LEU 41 9.566 -8.261 3.460 290 HA LEU 41 HA LEU 41 6.936 -9.390 3.787 291 HB2 LEU 41 HB2 LEU 41 7.979 -10.373 5.907 292 HB3 LEU 41 HB1 LEU 41 8.576 -10.913 4.357 293 HG LEU 41 HG LEU 41 10.520 -9.351 4.646 294 HD11 LEU 41 HD11 LEU 41 9.560 -9.119 7.493 295 HD12 LEU 41 HD12 LEU 41 9.469 -7.847 6.300 296 HD13 LEU 41 HD13 LEU 41 11.052 -8.447 6.819 297 HD21 LEU 41 HD21 LEU 41 11.681 -10.808 6.214 298 HD22 LEU 41 HD22 LEU 41 10.697 -11.718 5.066 299 HD23 LEU 41 HD23 LEU 41 10.134 -11.486 6.723 300 H SER 42 HN SER 42 8.665 -6.696 4.997 301 HA SER 42 HA SER 42 7.088 -6.315 7.311 302 HB2 SER 42 HB2 SER 42 9.436 -5.431 7.042 303 HB3 SER 42 HB1 SER 42 8.805 -4.297 5.851 304 HG SER 42 HG SER 42 7.766 -4.420 8.450 305 H MET 43 HN MET 43 6.650 -5.877 4.071 306 HA MET 43 HA MET 43 5.160 -3.617 3.741 307 HB2 MET 43 HB2 MET 43 5.857 -4.775 1.788 308 HB3 MET 43 HB1 MET 43 5.086 -6.264 2.313 309 HG2 MET 43 HG2 MET 43 3.537 -3.819 1.697 310 HG3 MET 43 HG1 MET 43 4.079 -4.904 0.402 311 HE1 MET 43 HE1 MET 43 3.217 -7.427 0.246 312 HE2 MET 43 HE2 MET 43 2.102 -8.169 1.398 313 HE3 MET 43 HE3 MET 43 3.740 -7.734 1.899 314 H VAL 44 HN VAL 44 4.202 -6.786 4.630 315 HA VAL 44 HA VAL 44 1.463 -6.616 4.670 316 HB VAL 44 HB VAL 44 3.132 -8.180 6.666 317 HG11 VAL 44 HG11 VAL 44 1.230 -9.719 6.760 318 HG12 VAL 44 HG12 VAL 44 0.322 -8.655 5.686 319 HG13 VAL 44 HG13 VAL 44 0.783 -8.096 7.294 320 HG21 VAL 44 HG21 VAL 44 3.835 -8.648 4.391 321 HG22 VAL 44 HG22 VAL 44 2.162 -8.973 3.917 322 HG23 VAL 44 HG23 VAL 44 2.980 -10.037 5.064 323 H GLU 45 HN GLU 45 3.789 -5.705 7.145 324 HA GLU 45 HA GLU 45 2.029 -5.102 9.243 325 HB2 GLU 45 HB2 GLU 45 4.720 -3.830 8.696 326 HB3 GLU 45 HB1 GLU 45 3.906 -3.955 10.253 327 HG2 GLU 45 HG2 GLU 45 4.086 -6.417 10.106 328 HG3 GLU 45 HG1 GLU 45 4.954 -6.229 8.600 329 H VAL 46 HN VAL 46 3.457 -3.038 6.689 330 HA VAL 46 HA VAL 46 2.111 -0.685 7.326 331 HB VAL 46 HB VAL 46 3.055 -1.751 4.638 332 HG11 VAL 46 HG11 VAL 46 1.138 -0.234 4.207 333 HG12 VAL 46 HG12 VAL 46 2.657 0.495 3.697 334 HG13 VAL 46 HG13 VAL 46 1.901 1.003 5.202 335 HG21 VAL 46 HG21 VAL 46 4.730 -0.005 4.897 336 HG22 VAL 46 HG22 VAL 46 4.744 -1.122 6.262 337 HG23 VAL 46 HG23 VAL 46 3.999 0.468 6.430 338 H VAL 47 HN VAL 47 1.079 -3.242 5.094 339 HA VAL 47 HA VAL 47 -1.327 -2.245 4.208 340 HB VAL 47 HB VAL 47 -0.692 -5.133 4.853 341 HG11 VAL 47 HG11 VAL 47 -3.116 -4.808 4.567 342 HG12 VAL 47 HG12 VAL 47 -2.426 -5.692 3.204 343 HG13 VAL 47 HG13 VAL 47 -2.823 -3.982 3.037 344 HG21 VAL 47 HG21 VAL 47 0.872 -4.109 3.361 345 HG22 VAL 47 HG22 VAL 47 -0.435 -3.502 2.355 346 HG23 VAL 47 HG23 VAL 47 -0.153 -5.239 2.481 347 H VAL 48 HN VAL 48 -0.894 -4.195 7.149 348 HA VAL 48 HA VAL 48 -3.540 -4.354 7.978 349 HB VAL 48 HB VAL 48 -1.100 -4.045 9.769 350 HG11 VAL 48 HG11 VAL 48 -3.170 -3.666 11.013 351 HG12 VAL 48 HG12 VAL 48 -2.430 -5.198 11.482 352 HG13 VAL 48 HG13 VAL 48 -3.826 -5.186 10.403 353 HG21 VAL 48 HG21 VAL 48 -1.124 -6.494 9.862 354 HG22 VAL 48 HG22 VAL 48 -0.888 -5.905 8.214 355 HG23 VAL 48 HG23 VAL 48 -2.466 -6.517 8.714 356 H ALA 49 HN ALA 49 -1.287 -1.693 8.460 357 HA ALA 49 HA ALA 49 -3.224 -0.164 9.984 358 HB1 ALA 49 HB1 ALA 49 -0.436 0.577 9.109 359 HB2 ALA 49 HB2 ALA 49 -0.870 -0.130 10.664 360 HB3 ALA 49 HB3 ALA 49 -1.447 1.480 10.235 361 H ALA 50 HN ALA 50 -1.800 -0.233 6.792 362 HA ALA 50 HA ALA 50 -2.703 2.251 5.839 363 HB1 ALA 50 HB1 ALA 50 -2.318 1.342 3.599 364 HB2 ALA 50 HB2 ALA 50 -2.224 -0.287 4.248 365 HB3 ALA 50 HB3 ALA 50 -0.992 0.901 4.671 366 H GLU 51 HN GLU 51 -4.102 -1.004 5.389 367 HA GLU 51 HA GLU 51 -6.451 -0.070 4.239 368 HB2 GLU 51 HB2 GLU 51 -5.911 -2.621 5.719 369 HB3 GLU 51 HB1 GLU 51 -7.246 -2.319 4.607 370 HG2 GLU 51 HG2 GLU 51 -4.325 -2.342 3.962 371 HG3 GLU 51 HG1 GLU 51 -5.520 -3.525 3.460 372 H GLU 52 HN GLU 52 -5.473 -0.434 7.534 373 HA GLU 52 HA GLU 52 -7.957 -0.230 8.816 374 HB2 GLU 52 HB2 GLU 52 -5.896 -0.747 10.005 375 HB3 GLU 52 HB1 GLU 52 -5.243 0.830 9.610 376 HG2 GLU 52 HG2 GLU 52 -6.901 1.887 11.036 377 HG3 GLU 52 HG1 GLU 52 -7.600 0.306 11.399 378 H ARG 53 HN ARG 53 -5.718 2.098 7.578 379 HA ARG 53 HA ARG 53 -6.978 4.518 8.299 380 HB2 ARG 53 HB2 ARG 53 -4.597 4.242 7.795 381 HB3 ARG 53 HB1 ARG 53 -4.994 3.789 6.152 382 HG2 ARG 53 HG2 ARG 53 -4.177 5.985 6.120 383 HG3 ARG 53 HG1 ARG 53 -5.914 6.068 5.833 384 HD2 ARG 53 HD2 ARG 53 -6.305 6.773 8.085 385 HD3 ARG 53 HD1 ARG 53 -4.605 6.516 8.505 386 HE ARG 53 HE ARG 53 -5.136 8.299 6.319 387 HH11 ARG 53 HH11 ARG 53 -4.675 8.133 9.833 388 HH12 ARG 53 HH12 ARG 53 -3.890 9.637 9.971 389 HH21 ARG 53 HH21 ARG 53 -4.145 10.389 6.468 390 HH22 ARG 53 HH22 ARG 53 -3.620 11.016 7.947 391 H PHE 54 HN PHE 54 -7.278 2.325 5.509 392 HA PHE 54 HA PHE 54 -8.875 4.305 4.051 393 HB2 PHE 54 HB2 PHE 54 -7.911 1.592 3.162 394 HB3 PHE 54 HB1 PHE 54 -8.658 2.816 2.128 395 HD1 PHE 54 HD1 PHE 54 -7.145 5.210 3.065 396 HD2 PHE 54 HD2 PHE 54 -5.901 1.234 2.260 397 HE1 PHE 54 HE1 PHE 54 -4.895 6.039 2.555 398 HE2 PHE 54 HE2 PHE 54 -3.620 2.044 1.761 399 HZ PHE 54 HZ PHE 54 -3.117 4.447 1.913 400 H ASP 55 HN ASP 55 -9.510 2.054 6.302 401 HA ASP 55 HA ASP 55 -11.332 0.953 7.041 402 HB2 ASP 55 HB2 ASP 55 -12.775 2.588 4.932 403 HB3 ASP 55 HB1 ASP 55 -13.618 1.495 6.023 404 H VAL 56 HN VAL 56 -9.637 -0.199 5.118 405 HA VAL 56 HA VAL 56 -11.435 -2.198 3.873 406 HB VAL 56 HB VAL 56 -8.577 -1.968 3.087 407 HG11 VAL 56 HG11 VAL 56 -10.952 -2.673 1.434 408 HG12 VAL 56 HG12 VAL 56 -9.744 -3.757 2.135 409 HG13 VAL 56 HG13 VAL 56 -9.278 -2.614 0.872 410 HG21 VAL 56 HG21 VAL 56 -10.582 -0.038 1.994 411 HG22 VAL 56 HG22 VAL 56 -9.005 -0.420 1.286 412 HG23 VAL 56 HG23 VAL 56 -9.090 0.294 2.908 413 H LYS 57 HN LYS 57 -9.148 -3.860 3.404 414 HA LYS 57 HA LYS 57 -7.313 -4.351 5.278 415 HB2 LYS 57 HB2 LYS 57 -9.264 -4.849 6.764 416 HB3 LYS 57 HB1 LYS 57 -9.696 -6.115 5.609 417 HG2 LYS 57 HG2 LYS 57 -8.439 -6.985 7.633 418 HG3 LYS 57 HG1 LYS 57 -7.687 -7.360 6.082 419 HD2 LYS 57 HD2 LYS 57 -6.156 -5.460 6.353 420 HD3 LYS 57 HD1 LYS 57 -6.911 -5.064 7.895 421 HE2 LYS 57 HE2 LYS 57 -5.485 -7.653 7.275 422 HE3 LYS 57 HE1 LYS 57 -4.757 -6.281 8.105 423 HZ1 LYS 57 HZ1 LYS 57 -5.473 -7.855 9.711 424 HZ2 LYS 57 HZ2 LYS 57 -7.026 -7.943 9.066 425 HZ3 LYS 57 HZ3 LYS 57 -6.495 -6.520 9.821 426 H ILE 58 HN ILE 58 -5.966 -5.377 3.974 427 HA ILE 58 HA ILE 58 -7.133 -7.231 2.047 428 HB ILE 58 HB ILE 58 -4.500 -5.724 1.755 429 HG12 ILE 58 HG12 ILE 58 -7.132 -5.177 0.372 430 HG13 ILE 58 HG11 ILE 58 -6.468 -4.200 1.677 431 HG21 ILE 58 HG21 ILE 58 -6.172 -7.290 -0.197 432 HG22 ILE 58 HG22 ILE 58 -4.677 -7.870 0.549 433 HG23 ILE 58 HG23 ILE 58 -4.642 -6.496 -0.563 434 HD11 ILE 58 HD11 ILE 58 -6.065 -3.185 -0.494 435 HD12 ILE 58 HD12 ILE 58 -5.193 -4.632 -1.019 436 HD13 ILE 58 HD13 ILE 58 -4.555 -3.636 0.295 437 HA PRO 59 HA PRO 59 -4.882 -10.077 4.706 438 HB2 PRO 59 HB2 PRO 59 -5.618 -12.298 3.222 439 HB3 PRO 59 HB1 PRO 59 -6.579 -11.593 4.527 440 HG2 PRO 59 HG2 PRO 59 -6.857 -11.257 1.578 441 HG3 PRO 59 HG1 PRO 59 -8.113 -11.426 2.817 442 HD2 PRO 59 HD2 PRO 59 -7.475 -9.049 1.730 443 HD3 PRO 59 HD1 PRO 59 -7.992 -9.209 3.424 444 H ASP 60 HN ASP 60 -3.149 -11.723 4.271 445 HA ASP 60 HA ASP 60 -1.287 -10.455 2.573 446 HB2 ASP 60 HB2 ASP 60 0.377 -12.125 3.225 447 HB3 ASP 60 HB1 ASP 60 -0.421 -11.394 4.606 448 H ASP 61 HN ASP 61 -3.293 -13.178 2.011 449 HA ASP 61 HA ASP 61 -1.822 -14.123 -0.274 450 HB2 ASP 61 HB2 ASP 61 -4.699 -14.562 0.507 451 HB3 ASP 61 HB1 ASP 61 -3.954 -15.282 -0.913 452 H ASP 62 HN ASP 62 -4.095 -11.672 0.288 453 HA ASP 62 HA ASP 62 -4.854 -11.352 -2.477 454 HB2 ASP 62 HB2 ASP 62 -5.499 -9.863 0.053 455 HB3 ASP 62 HB1 ASP 62 -5.968 -9.259 -1.521 456 H VAL 63 HN VAL 63 -2.970 -9.612 -0.039 457 HA VAL 63 HA VAL 63 -2.531 -7.342 -1.628 458 HB VAL 63 HB VAL 63 -2.466 -7.249 0.810 459 HG11 VAL 63 HG11 VAL 63 0.142 -8.729 0.613 460 HG12 VAL 63 HG12 VAL 63 -1.369 -9.345 1.277 461 HG13 VAL 63 HG13 VAL 63 -0.533 -8.011 2.079 462 HG21 VAL 63 HG21 VAL 63 0.133 -6.402 -0.444 463 HG22 VAL 63 HG22 VAL 63 -0.525 -5.790 1.068 464 HG23 VAL 63 HG23 VAL 63 -1.372 -5.483 -0.454 465 H LYS 64 HN LYS 64 -0.802 -10.329 -1.513 466 HA LYS 64 HA LYS 64 1.710 -9.374 -2.357 467 HB2 LYS 64 HB2 LYS 64 2.253 -11.684 -2.915 468 HB3 LYS 64 HB1 LYS 64 1.495 -11.545 -1.339 469 HG2 LYS 64 HG2 LYS 64 -0.621 -12.321 -2.291 470 HG3 LYS 64 HG1 LYS 64 0.153 -12.454 -3.874 471 HD2 LYS 64 HD2 LYS 64 0.055 -14.629 -2.772 472 HD3 LYS 64 HD1 LYS 64 1.726 -14.091 -2.958 473 HE2 LYS 64 HE2 LYS 64 1.797 -13.378 -0.661 474 HE3 LYS 64 HE1 LYS 64 0.102 -13.775 -0.428 475 HZ1 LYS 64 HZ1 LYS 64 0.819 -16.116 -1.094 476 HZ2 LYS 64 HZ2 LYS 64 1.152 -15.557 0.427 477 HZ3 LYS 64 HZ3 LYS 64 2.413 -15.593 -0.724 478 H ASN 65 HN ASN 65 -1.067 -9.274 -4.017 479 HA ASN 65 HA ASN 65 0.047 -9.948 -6.642 480 HB2 ASN 65 HB2 ASN 65 -2.794 -9.349 -5.805 481 HB3 ASN 65 HB1 ASN 65 -2.290 -9.698 -7.453 482 HD21 ASN 65 HD21 ASN 65 -3.014 -10.993 -4.343 483 HD22 ASN 65 HD22 ASN 65 -2.926 -12.657 -4.792 484 H LEU 66 HN LEU 66 0.405 -7.370 -4.866 485 HA LEU 66 HA LEU 66 -0.590 -5.489 -6.856 486 HB2 LEU 66 HB2 LEU 66 0.219 -5.039 -3.995 487 HB3 LEU 66 HB1 LEU 66 -0.206 -3.748 -5.106 488 HG LEU 66 HG LEU 66 -2.041 -5.989 -4.247 489 HD11 LEU 66 HD11 LEU 66 -2.054 -3.066 -3.534 490 HD12 LEU 66 HD12 LEU 66 -1.642 -4.396 -2.454 491 HD13 LEU 66 HD13 LEU 66 -3.284 -4.247 -3.087 492 HD21 LEU 66 HD21 LEU 66 -2.538 -3.587 -5.997 493 HD22 LEU 66 HD22 LEU 66 -3.765 -4.723 -5.436 494 HD23 LEU 66 HD23 LEU 66 -2.485 -5.269 -6.520 495 H LYS 67 HN LYS 67 0.589 -3.992 -7.779 496 HA LYS 67 HA LYS 67 3.490 -4.474 -7.879 497 HB2 LYS 67 HB2 LYS 67 2.320 -4.567 -10.000 498 HB3 LYS 67 HB1 LYS 67 1.669 -2.953 -9.746 499 HG2 LYS 67 HG2 LYS 67 4.018 -2.088 -9.752 500 HG3 LYS 67 HG1 LYS 67 4.551 -3.706 -10.201 501 HD2 LYS 67 HD2 LYS 67 2.644 -1.967 -11.727 502 HD3 LYS 67 HD1 LYS 67 4.338 -2.221 -12.137 503 HE2 LYS 67 HE2 LYS 67 2.176 -4.338 -12.117 504 HE3 LYS 67 HE1 LYS 67 2.953 -3.651 -13.540 505 HZ1 LYS 67 HZ1 LYS 67 5.092 -4.606 -12.701 506 HZ2 LYS 67 HZ2 LYS 67 3.942 -5.729 -13.119 507 HZ3 LYS 67 HZ3 LYS 67 4.232 -5.402 -11.481 508 H THR 68 HN THR 68 1.571 -1.532 -8.412 509 HA THR 68 HA THR 68 3.575 0.022 -6.934 510 HB THR 68 HB THR 68 2.734 1.900 -8.335 511 HG1 THR 68 HG1 THR 68 1.490 1.182 -10.241 512 HG21 THR 68 HG21 THR 68 3.683 -0.477 -9.947 513 HG22 THR 68 HG22 THR 68 4.724 0.649 -9.078 514 HG23 THR 68 HG23 THR 68 3.769 1.210 -10.454 515 H VAL 69 HN VAL 69 2.254 2.289 -6.381 516 HA VAL 69 HA VAL 69 -0.002 1.326 -4.929 517 HB VAL 69 HB VAL 69 -0.306 3.389 -3.870 518 HG11 VAL 69 HG11 VAL 69 1.837 3.990 -2.958 519 HG12 VAL 69 HG12 VAL 69 2.613 2.961 -4.184 520 HG13 VAL 69 HG13 VAL 69 1.482 2.269 -3.002 521 HG21 VAL 69 HG21 VAL 69 -0.257 4.857 -5.719 522 HG22 VAL 69 HG22 VAL 69 1.493 4.665 -5.871 523 HG23 VAL 69 HG23 VAL 69 0.810 5.455 -4.448 524 H GLY 70 HN GLY 70 0.528 2.409 -8.059 525 HA2 GLY 70 HA2 GLY 70 -2.000 3.681 -8.486 526 HA3 GLY 70 HA1 GLY 70 -0.922 3.021 -9.726 527 H ASP 71 HN ASP 71 -0.595 0.558 -8.965 528 HA ASP 71 HA ASP 71 -2.925 -0.823 -9.768 529 HB2 ASP 71 HB2 ASP 71 -0.686 -1.675 -10.212 530 HB3 ASP 71 HB1 ASP 71 -0.354 -1.786 -8.491 531 H ALA 72 HN ALA 72 -1.376 -0.236 -6.646 532 HA ALA 72 HA ALA 72 -3.110 -1.807 -5.085 533 HB1 ALA 72 HB1 ALA 72 -2.240 -0.607 -3.167 534 HB2 ALA 72 HB2 ALA 72 -1.565 0.634 -4.226 535 HB3 ALA 72 HB3 ALA 72 -0.931 -1.009 -4.279 536 H THR 73 HN THR 73 -3.241 1.640 -5.964 537 HA THR 73 HA THR 73 -5.286 2.499 -4.391 538 HB THR 73 HB THR 73 -4.644 3.317 -7.241 539 HG1 THR 73 HG1 THR 73 -3.033 3.774 -5.717 540 HG21 THR 73 HG21 THR 73 -6.409 4.747 -5.247 541 HG22 THR 73 HG22 THR 73 -6.972 3.944 -6.712 542 HG23 THR 73 HG23 THR 73 -5.929 5.362 -6.827 543 H LYS 74 HN LYS 74 -5.625 1.177 -7.679 544 HA LYS 74 HA LYS 74 -8.440 1.331 -7.806 545 HB2 LYS 74 HB2 LYS 74 -6.714 -0.634 -9.303 546 HB3 LYS 74 HB1 LYS 74 -8.274 0.009 -9.788 547 HG2 LYS 74 HG2 LYS 74 -5.656 1.474 -9.663 548 HG3 LYS 74 HG1 LYS 74 -6.558 1.013 -11.103 549 HD2 LYS 74 HD2 LYS 74 -8.415 2.507 -10.328 550 HD3 LYS 74 HD1 LYS 74 -7.344 3.006 -9.001 551 HE2 LYS 74 HE2 LYS 74 -7.287 4.625 -10.850 552 HE3 LYS 74 HE1 LYS 74 -5.720 3.858 -10.602 553 HZ1 LYS 74 HZ1 LYS 74 -6.161 2.405 -12.490 554 HZ2 LYS 74 HZ2 LYS 74 -6.317 3.997 -12.988 555 HZ3 LYS 74 HZ3 LYS 74 -7.692 3.073 -12.695 556 H TYR 75 HN TYR 75 -6.240 -1.049 -6.625 557 HA TYR 75 HA TYR 75 -8.051 -3.230 -6.456 558 HB2 TYR 75 HB2 TYR 75 -5.586 -3.517 -6.542 559 HB3 TYR 75 HB1 TYR 75 -5.468 -2.736 -4.964 560 HD1 TYR 75 HD2 TYR 75 -6.295 -3.860 -2.961 561 HD2 TYR 75 HD1 TYR 75 -6.311 -5.779 -6.743 562 HE1 TYR 75 HE2 TYR 75 -6.540 -6.033 -1.853 563 HE2 TYR 75 HE1 TYR 75 -6.533 -7.922 -5.701 564 HH TYR 75 HH TYR 75 -7.242 -8.230 -2.322 565 H ILE 76 HN ILE 76 -6.634 -1.033 -4.073 566 HA ILE 76 HA ILE 76 -8.044 -1.838 -1.810 567 HB ILE 76 HB ILE 76 -6.915 0.874 -2.580 568 HG12 ILE 76 HG12 ILE 76 -5.823 -1.283 -0.759 569 HG13 ILE 76 HG11 ILE 76 -5.323 -1.020 -2.424 570 HG21 ILE 76 HG21 ILE 76 -8.616 1.177 -0.865 571 HG22 ILE 76 HG22 ILE 76 -7.004 1.458 -0.200 572 HG23 ILE 76 HG23 ILE 76 -7.849 -0.053 0.140 573 HD11 ILE 76 HD11 ILE 76 -4.984 0.920 -0.148 574 HD12 ILE 76 HD12 ILE 76 -4.472 1.175 -1.820 575 HD13 ILE 76 HD13 ILE 76 -3.730 -0.099 -0.858 576 H LEU 77 HN LEU 77 -8.844 0.570 -4.264 577 HA LEU 77 HA LEU 77 -11.184 1.456 -3.120 578 HB2 LEU 77 HB2 LEU 77 -10.377 1.356 -6.016 579 HB3 LEU 77 HB1 LEU 77 -11.859 2.122 -5.477 580 HG LEU 77 HG LEU 77 -9.073 2.930 -4.635 581 HD11 LEU 77 HD11 LEU 77 -9.520 3.480 -6.972 582 HD12 LEU 77 HD12 LEU 77 -9.451 4.929 -5.976 583 HD13 LEU 77 HD13 LEU 77 -11.009 4.296 -6.499 584 HD21 LEU 77 HD21 LEU 77 -11.753 4.177 -4.067 585 HD22 LEU 77 HD22 LEU 77 -10.187 4.850 -3.621 586 HD23 LEU 77 HD23 LEU 77 -10.731 3.333 -2.906 587 H ASP 78 HN ASP 78 -10.630 -1.374 -5.111 588 HA ASP 78 HA ASP 78 -13.447 -1.994 -5.361 589 HB2 ASP 78 HB2 ASP 78 -12.060 -2.655 -7.195 590 HB3 ASP 78 HB1 ASP 78 -10.954 -3.513 -6.128 591 H HIS 79 HN HIS 79 -10.785 -2.978 -3.374 592 HA HIS 79 HA HIS 79 -12.092 -5.304 -2.276 593 HB2 HIS 79 HB2 HIS 79 -9.532 -4.737 -2.537 594 HB3 HIS 79 HB1 HIS 79 -9.753 -4.017 -0.948 595 HD1 HIS 79 HD1 HIS 79 -10.540 -5.796 1.023 596 HD2 HIS 79 HD2 HIS 79 -9.297 -7.414 -2.599 597 HE1 HIS 79 HE1 HIS 79 -10.013 -8.184 1.497 598 HE2 HIS 79 HE2 HIS 79 -9.029 -9.067 -0.663 599 H GLN 80 HN GLN 80 -12.202 -1.954 -1.613 600 HA GLN 80 HA GLN 80 -12.674 -2.306 1.222 601 HB2 GLN 80 HB2 GLN 80 -12.765 0.085 1.396 602 HB3 GLN 80 HB1 GLN 80 -11.373 -0.457 0.478 603 HG2 GLN 80 HG2 GLN 80 -12.550 0.159 -1.611 604 HG3 GLN 80 HG1 GLN 80 -13.887 0.773 -0.641 605 HE21 GLN 80 HE21 GLN 80 -10.481 1.130 0.249 606 HE22 GLN 80 HE22 GLN 80 -10.450 2.831 0.036 607 H ALA 81 HN ALA 81 -14.404 -0.702 2.045 608 HA ALA 81 HA ALA 81 -16.544 -0.275 2.483 609 HB1 ALA 81 HB1 ALA 81 -18.397 -0.673 0.911 610 HB2 ALA 81 HB2 ALA 81 -17.330 -1.618 -0.131 611 HB3 ALA 81 HB3 ALA 81 -17.053 0.110 0.073 612 H2 SOO 101 H2A SOO 101 4.252 -4.647 -1.603 613 H3 SOO 101 H3A SOO 101 1.314 -5.497 -2.133 614 H4 SOO 101 H4A SOO 101 2.276 -3.566 -0.156 615 H4A SOO 101 H4B SOO 101 2.422 -2.769 -1.720 616 H5 SOO 101 H5A SOO 101 -0.116 -3.925 -0.568 617 H5A SOO 101 H5B SOO 101 0.038 -3.120 -2.132 618 H6 SOO 101 H6A SOO 101 0.814 -1.075 -0.953 619 H6A SOO 101 H6B SOO 101 0.526 -1.883 0.585 620 H7 SOO 101 H7A SOO 101 -1.635 -1.436 -1.476 621 H7A SOO 101 H7B SOO 101 -1.311 -0.332 -0.129 622 H8 SOO 101 H8C SOO 101 -1.797 -2.088 1.461 623 H8A SOO 101 H8A SOO 101 -2.024 -3.256 0.143 624 H8B SOO 101 H8B SOO 101 -3.132 -1.904 0.336 625 H28 SOO 101 H28A SOO 101 11.046 -12.157 1.414 626 H28A SOO 101 H28B SOO 101 9.757 -10.952 1.487 627 H30 SOO 101 H30A SOO 101 7.979 -12.086 -1.533 628 H30A SOO 101 H30B SOO 101 9.212 -10.825 -1.481 629 H30B SOO 101 H30C SOO 101 7.989 -10.919 -0.212 630 H31 SOO 101 H31A SOO 101 9.763 -13.829 -1.669 631 H31A SOO 101 H31B SOO 101 11.053 -13.849 -0.465 632 H31B SOO 101 H31C SOO 101 10.970 -12.542 -1.647 633 H32 SOO 101 H32A SOO 101 8.006 -14.000 0.172 634 HO33 SOO 101 H33A SOO 101 9.198 -14.331 2.397 635 HN36 SOO 101 H36A SOO 101 6.434 -12.288 0.593 636 H37 SOO 101 H37A SOO 101 5.922 -11.878 3.438 637 H37A SOO 101 H37B SOO 101 6.136 -10.425 2.489 638 H38 SOO 101 H38A SOO 101 4.006 -12.543 2.076 639 H38A SOO 101 H38B SOO 101 3.827 -10.894 2.721 640 HN41 SOO 101 H41A SOO 101 5.457 -9.636 0.934 641 H42 SOO 101 H42A SOO 101 5.196 -9.903 -1.775 642 H42A SOO 101 H42B SOO 101 3.705 -9.099 -1.270 643 H43 SOO 101 H43A SOO 101 6.512 -8.118 -0.702 644 H43A SOO 101 H43B SOO 101 5.003 -7.339 -0.206
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