NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
650718 | 6x4x | 30755 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 HT1 GLY 1 -10.254 2.988 0.354 2 H2 GLY 1 HT2 GLY 1 -9.001 1.845 0.443 3 H3 GLY 1 HT3 GLY 1 -8.995 3.020 -0.784 4 HA2 GLY 1 HA2 GLY 1 -9.140 4.677 1.365 5 HA3 GLY 1 HA1 GLY 1 -8.119 3.313 1.905 6 H ILE 2 HN ILE 2 -6.759 2.131 0.212 7 HA ILE 2 HA ILE 2 -4.334 3.377 1.022 8 HB ILE 2 HB ILE 2 -4.479 1.023 0.276 9 HG12 ILE 2 HG12 ILE 2 -2.704 2.633 -1.581 10 HG13 ILE 2 HG11 ILE 2 -2.331 2.338 0.112 11 HG21 ILE 2 HG21 ILE 2 -6.147 1.375 -1.515 12 HG22 ILE 2 HG22 ILE 2 -4.732 0.519 -2.125 13 HG23 ILE 2 HG23 ILE 2 -4.942 2.230 -2.472 14 HD11 ILE 2 HD11 ILE 2 -2.008 0.565 -2.189 15 HD12 ILE 2 HD12 ILE 2 -2.886 -0.220 -0.881 16 HD13 ILE 2 HD13 ILE 2 -1.293 0.469 -0.588 17 H VAL 3 HN VAL 3 -6.465 3.941 -1.633 18 HA VAL 3 HA VAL 3 -4.758 5.245 -3.472 19 HB VAL 3 HB VAL 3 -7.611 6.047 -2.881 20 HG11 VAL 3 HG11 VAL 3 -6.426 7.345 -4.571 21 HG12 VAL 3 HG12 VAL 3 -7.649 6.329 -5.337 22 HG13 VAL 3 HG13 VAL 3 -5.949 5.863 -5.400 23 HG21 VAL 3 HG21 VAL 3 -8.136 4.157 -4.542 24 HG22 VAL 3 HG22 VAL 3 -7.713 3.669 -2.902 25 HG23 VAL 3 HG23 VAL 3 -6.517 3.551 -4.194 26 H GLU 4 HN GLU 4 -6.490 6.509 -0.663 27 HA GLU 4 HA GLU 4 -5.809 9.256 -1.167 28 HB2 GLU 4 HB2 GLU 4 -6.533 7.879 1.428 29 HB3 GLU 4 HB1 GLU 4 -6.525 9.623 1.169 30 HG2 GLU 4 HG2 GLU 4 -8.138 7.817 -0.640 31 HG3 GLU 4 HG1 GLU 4 -8.780 8.332 0.917 32 H GLN 5 HN GLN 5 -4.462 6.945 1.192 33 HA GLN 5 HA GLN 5 -2.408 8.655 2.141 34 HB2 GLN 5 HB2 GLN 5 -2.264 5.638 1.959 35 HB3 GLN 5 HB1 GLN 5 -1.421 6.680 3.106 36 HG2 GLN 5 HG2 GLN 5 -3.586 7.401 4.046 37 HG3 GLN 5 HG1 GLN 5 -4.429 6.354 2.905 38 HE21 GLN 5 HE21 GLN 5 -1.607 4.762 3.668 39 HE22 GLN 5 HE22 GLN 5 -2.166 3.799 4.949 40 H CYS 6 HN CYS 6 -2.408 6.488 -0.694 41 HA CYS 6 HA CYS 6 0.463 7.042 -1.135 42 HB2 CYS 6 HB2 CYS 6 -1.361 5.374 -2.843 43 HB3 CYS 6 HB1 CYS 6 0.381 5.262 -2.667 44 H CYS 7 HN CYS 7 -2.664 7.884 -2.596 45 HA CYS 7 HA CYS 7 -1.258 9.151 -4.881 46 HB2 CYS 7 HB2 CYS 7 -3.480 7.862 -5.066 47 HB3 CYS 7 HB1 CYS 7 -4.224 9.267 -4.330 48 H THR 8 HN THR 8 -3.653 10.217 -2.449 49 HA THR 8 HA THR 8 -3.173 13.007 -2.908 50 HB THR 8 HB THR 8 -4.105 11.785 -0.300 51 HG1 THR 8 HG1 THR 8 -5.988 12.459 -2.196 52 HG21 THR 8 HG21 THR 8 -4.745 14.334 -1.789 53 HG22 THR 8 HG22 THR 8 -3.779 14.185 -0.320 54 HG23 THR 8 HG23 THR 8 -5.506 13.827 -0.282 55 H SER 9 HN SER 9 -1.353 10.570 -1.456 56 HA SER 9 HA SER 9 0.638 12.485 -0.497 57 HB2 SER 9 HB2 SER 9 -0.420 10.561 1.556 58 HB3 SER 9 HB1 SER 9 0.426 12.084 1.796 59 HG SER 9 HG SER 9 -1.399 13.128 1.623 60 H ILE 10 HN ILE 10 2.593 11.229 0.358 61 HA ILE 10 HA ILE 10 3.014 8.884 -1.359 62 HB ILE 10 HB ILE 10 4.843 10.257 0.633 63 HG12 ILE 10 HG12 ILE 10 4.889 10.399 -2.382 64 HG13 ILE 10 HG11 ILE 10 3.982 11.540 -1.410 65 HG21 ILE 10 HG21 ILE 10 6.643 9.061 -0.598 66 HG22 ILE 10 HG22 ILE 10 5.421 8.218 -1.546 67 HG23 ILE 10 HG23 ILE 10 5.544 7.931 0.189 68 HD11 ILE 10 HD11 ILE 10 6.258 12.370 -1.974 69 HD12 ILE 10 HD12 ILE 10 6.941 10.995 -1.107 70 HD13 ILE 10 HD13 ILE 10 6.009 12.212 -0.235 71 H CYS 11 HN CYS 11 3.117 6.776 -0.686 72 HA CYS 11 HA CYS 11 2.271 6.214 2.118 73 HB2 CYS 11 HB2 CYS 11 2.126 4.724 -0.487 74 HB3 CYS 11 HB1 CYS 11 2.085 3.808 1.020 75 H SER 12 HN SER 12 3.225 4.121 3.014 76 HA SER 12 HA SER 12 6.177 3.986 2.480 77 HB2 SER 12 HB2 SER 12 4.633 3.722 5.066 78 HB3 SER 12 HB1 SER 12 6.316 3.239 4.899 79 HG SER 12 HG SER 12 5.555 5.565 5.541 80 H LEU 13 HN LEU 13 7.046 1.902 2.347 81 HA LEU 13 HA LEU 13 5.605 -0.158 1.238 82 HB2 LEU 13 HB2 LEU 13 8.203 0.190 1.946 83 HB3 LEU 13 HB1 LEU 13 7.745 -0.979 3.173 84 HG LEU 13 HG LEU 13 6.880 -2.475 1.365 85 HD11 LEU 13 HD11 LEU 13 6.397 -1.335 -0.567 86 HD12 LEU 13 HD12 LEU 13 8.071 -1.703 -0.961 87 HD13 LEU 13 HD13 LEU 13 7.650 -0.124 -0.301 88 HD21 LEU 13 HD21 LEU 13 9.165 -2.698 2.306 89 HD22 LEU 13 HD22 LEU 13 9.773 -1.611 1.057 90 HD23 LEU 13 HD23 LEU 13 9.109 -3.183 0.612 91 H TYR 14 HN TYR 14 5.917 0.554 4.703 92 HA TYR 14 HA TYR 14 4.768 -1.905 5.612 93 HB2 TYR 14 HB2 TYR 14 5.094 -0.971 7.664 94 HB3 TYR 14 HB1 TYR 14 5.722 0.441 6.823 95 HD1 TYR 14 HD1 TYR 14 4.626 2.492 7.046 96 HD2 TYR 14 HD2 TYR 14 2.525 -1.099 7.983 97 HE1 TYR 14 HE1 TYR 14 2.738 3.846 7.918 98 HE2 TYR 14 HE2 TYR 14 0.626 0.229 8.860 99 HH TYR 14 HH TYR 14 -0.280 2.309 8.933 100 H GLN 15 HN GLN 15 3.314 1.105 4.466 101 HA GLN 15 HA GLN 15 0.611 0.301 5.129 102 HB2 GLN 15 HB2 GLN 15 1.486 2.325 3.041 103 HB3 GLN 15 HB1 GLN 15 -0.077 2.229 3.845 104 HG2 GLN 15 HG2 GLN 15 0.915 2.800 5.978 105 HG3 GLN 15 HG1 GLN 15 2.534 2.725 5.284 106 HE21 GLN 15 HE21 GLN 15 0.654 3.981 2.874 107 HE22 GLN 15 HE22 GLN 15 0.854 5.636 3.185 108 H LEU 16 HN LEU 16 2.659 0.243 2.238 109 HA LEU 16 HA LEU 16 0.710 -0.791 0.431 110 HB2 LEU 16 HB2 LEU 16 3.209 0.183 0.161 111 HB3 LEU 16 HB1 LEU 16 3.607 -1.520 0.140 112 HG LEU 16 HG LEU 16 2.053 -1.870 -1.731 113 HD11 LEU 16 HD11 LEU 16 1.254 0.896 -1.072 114 HD12 LEU 16 HD12 LEU 16 0.359 -0.387 -1.878 115 HD13 LEU 16 HD13 LEU 16 1.480 0.599 -2.794 116 HD21 LEU 16 HD21 LEU 16 3.703 -1.357 -3.162 117 HD22 LEU 16 HD22 LEU 16 4.543 -0.591 -1.815 118 HD23 LEU 16 HD23 LEU 16 3.536 0.369 -2.888 119 H GLU 17 HN GLU 17 3.238 -2.438 2.333 120 HA GLU 17 HA GLU 17 2.536 -5.087 1.499 121 HB2 GLU 17 HB2 GLU 17 3.732 -4.190 4.147 122 HB3 GLU 17 HB1 GLU 17 3.783 -5.828 3.496 123 HG2 GLU 17 HG2 GLU 17 5.298 -5.258 1.806 124 HG3 GLU 17 HG1 GLU 17 4.869 -3.548 1.855 125 H ASN 18 HN ASN 18 1.196 -2.878 3.781 126 HA ASN 18 HA ASN 18 -0.267 -4.718 5.422 127 HB2 ASN 18 HB2 ASN 18 -0.032 -1.845 5.050 128 HB3 ASN 18 HB1 ASN 18 -1.687 -2.262 5.373 129 HD21 ASN 18 HD21 ASN 18 0.572 -0.960 7.037 130 HD22 ASN 18 HD22 ASN 18 0.474 -1.828 8.486 131 H TYR 19 HN TYR 19 -1.016 -3.231 2.283 132 HA TYR 19 HA TYR 19 -3.790 -4.281 2.362 133 HB2 TYR 19 HB2 TYR 19 -2.246 -2.875 0.163 134 HB3 TYR 19 HB1 TYR 19 -3.950 -3.317 0.077 135 HD1 TYR 19 HD1 TYR 19 -5.557 -2.348 1.831 136 HD2 TYR 19 HD2 TYR 19 -1.563 -0.905 1.242 137 HE1 TYR 19 HE1 TYR 19 -6.144 -0.245 3.022 138 HE2 TYR 19 HE2 TYR 19 -2.137 1.192 2.442 139 HH TYR 19 HH TYR 19 -3.990 1.803 4.289 140 H CYS 20 HN CYS 20 -0.821 -5.609 1.856 141 HA CYS 20 HA CYS 20 -1.651 -7.365 -0.376 142 HB2 CYS 20 HB2 CYS 20 0.576 -6.664 -0.621 143 HB3 CYS 20 HB1 CYS 20 0.942 -6.929 1.085 144 H ASN 21 HN ASN 21 -1.906 -9.575 -0.140 145 HA ASN 21 HA ASN 21 -3.089 -10.588 2.202 146 HB2 ASN 21 HB2 ASN 21 -3.395 -11.581 -0.005 147 HB3 ASN 21 HB1 ASN 21 -1.684 -12.000 -0.077 148 HD21 ASN 21 HD21 ASN 21 -2.942 -14.180 -0.436 149 HD22 ASN 21 HD22 ASN 21 -3.185 -15.098 0.957 150 H1 PHE 22 HT1 PHE 22 12.486 2.148 0.183 151 H2 PHE 22 HT2 PHE 22 13.088 0.895 -0.796 152 H3 PHE 22 HT3 PHE 22 11.751 0.619 0.216 153 HA PHE 22 HA PHE 22 11.616 1.251 -2.405 154 HB2 PHE 22 HB2 PHE 22 9.908 0.426 -0.515 155 HB3 PHE 22 HB1 PHE 22 9.388 2.107 -0.570 156 HD1 PHE 22 HD1 PHE 22 8.270 3.016 -2.538 157 HD2 PHE 22 HD2 PHE 22 9.715 -1.030 -2.496 158 HE1 PHE 22 HE1 PHE 22 6.972 2.530 -4.593 159 HE2 PHE 22 HE2 PHE 22 8.416 -1.514 -4.552 160 HZ PHE 22 HZ PHE 22 7.044 0.266 -5.600 161 H VAL 23 HN VAL 23 10.727 3.169 -3.529 162 HA VAL 23 HA VAL 23 11.993 5.624 -2.549 163 HB VAL 23 HB VAL 23 11.954 4.964 -4.982 164 HG11 VAL 23 HG11 VAL 23 9.079 5.909 -4.919 165 HG12 VAL 23 HG12 VAL 23 9.502 4.200 -4.817 166 HG13 VAL 23 HG13 VAL 23 9.939 5.132 -6.248 167 HG21 VAL 23 HG21 VAL 23 11.662 7.220 -5.764 168 HG22 VAL 23 HG22 VAL 23 12.250 7.343 -4.107 169 HG23 VAL 23 HG23 VAL 23 10.540 7.594 -4.457 170 H ASN 24 HN ASN 24 10.792 7.656 -2.344 171 HA ASN 24 HA ASN 24 8.039 7.226 -1.241 172 HB2 ASN 24 HB2 ASN 24 8.858 9.799 -0.493 173 HB3 ASN 24 HB1 ASN 24 8.916 8.370 0.533 174 HD21 ASN 24 HD21 ASN 24 11.006 7.260 0.751 175 HD22 ASN 24 HD22 ASN 24 12.452 8.031 0.308 176 H GLN 25 HN GLN 25 6.893 7.400 -3.196 177 HA GLN 25 HA GLN 25 6.783 10.157 -4.331 178 HB2 GLN 25 HB2 GLN 25 8.211 8.718 -5.809 179 HB3 GLN 25 HB1 GLN 25 6.840 7.630 -6.020 180 HG2 GLN 25 HG2 GLN 25 5.538 9.718 -6.823 181 HG3 GLN 25 HG1 GLN 25 7.115 10.486 -6.939 182 HE21 GLN 25 HE21 GLN 25 8.478 7.960 -7.654 183 HE22 GLN 25 HE22 GLN 25 8.047 7.654 -9.256 184 H HIS 26 HN HIS 26 4.711 10.776 -4.991 185 HA HIS 26 HA HIS 26 2.504 9.364 -3.808 186 HB2 HIS 26 HB2 HIS 26 2.403 11.501 -5.957 187 HB3 HIS 26 HB1 HIS 26 1.111 11.056 -4.850 188 HD1 HIS 26 HD1 HIS 26 0.929 12.536 -2.860 189 HD2 HIS 26 HD2 HIS 26 4.826 12.434 -4.339 190 HE1 HIS 26 HE1 HIS 26 2.282 14.135 -1.431 191 HE2 HIS 26 HE2 HIS 26 4.650 14.097 -2.339 192 H LEU 27 HN LEU 27 1.900 7.394 -4.656 193 HA LEU 27 HA LEU 27 2.087 6.929 -7.570 194 HB2 LEU 27 HB2 LEU 27 1.048 5.025 -5.478 195 HB3 LEU 27 HB1 LEU 27 1.674 4.642 -7.067 196 HG LEU 27 HG LEU 27 3.424 5.987 -5.002 197 HD11 LEU 27 HD11 LEU 27 2.582 3.931 -3.973 198 HD12 LEU 27 HD12 LEU 27 4.274 3.735 -4.430 199 HD13 LEU 27 HD13 LEU 27 3.003 3.018 -5.422 200 HD21 LEU 27 HD21 LEU 27 4.213 6.000 -7.311 201 HD22 LEU 27 HD22 LEU 27 3.944 4.262 -7.437 202 HD23 LEU 27 HD23 LEU 27 5.192 4.886 -6.358 203 H CYS 28 HN CYS 28 0.288 6.391 -8.832 204 HA CYS 28 HA CYS 28 -2.413 6.413 -7.708 205 HB2 CYS 28 HB2 CYS 28 -1.616 8.535 -9.726 206 HB3 CYS 28 HB1 CYS 28 -3.207 8.301 -9.016 207 H GLY 29 HN GLY 29 -3.960 6.414 -9.873 208 HA2 GLY 29 HA2 GLY 29 -4.560 5.038 -11.693 209 HA3 GLY 29 HA1 GLY 29 -2.972 5.462 -12.327 210 H SER 30 HN SER 30 -2.424 3.419 -13.104 211 HA SER 30 HA SER 30 -2.709 1.043 -11.439 212 HB2 SER 30 HB2 SER 30 -0.938 1.209 -13.873 213 HB3 SER 30 HB1 SER 30 -1.854 -0.167 -13.260 214 HG SER 30 HG SER 30 -2.684 1.166 -15.146 215 H ASP 31 HN ASP 31 -0.296 3.505 -11.833 216 HA ASP 31 HA ASP 31 2.112 2.218 -11.222 217 HB2 ASP 31 HB2 ASP 31 1.176 4.779 -9.886 218 HB3 ASP 31 HB1 ASP 31 2.841 4.283 -10.173 219 H LEU 32 HN LEU 32 -0.147 3.553 -8.824 220 HA LEU 32 HA LEU 32 0.962 2.515 -6.474 221 HB2 LEU 32 HB2 LEU 32 -0.913 4.037 -6.425 222 HB3 LEU 32 HB1 LEU 32 -1.921 2.909 -7.323 223 HG LEU 32 HG LEU 32 -1.945 1.361 -5.450 224 HD11 LEU 32 HD11 LEU 32 -0.863 2.243 -3.266 225 HD12 LEU 32 HD12 LEU 32 0.073 3.300 -4.311 226 HD13 LEU 32 HD13 LEU 32 0.206 1.552 -4.482 227 HD21 LEU 32 HD21 LEU 32 -2.422 4.200 -4.510 228 HD22 LEU 32 HD22 LEU 32 -3.170 2.747 -3.859 229 HD23 LEU 32 HD23 LEU 32 -3.540 3.272 -5.499 230 H VAL 33 HN VAL 33 -1.561 0.953 -8.498 231 HA VAL 33 HA VAL 33 -1.705 -1.502 -7.132 232 HB VAL 33 HB VAL 33 -1.941 -0.853 -10.080 233 HG11 VAL 33 HG11 VAL 33 -3.101 -3.190 -10.114 234 HG12 VAL 33 HG12 VAL 33 -2.174 -3.502 -8.647 235 HG13 VAL 33 HG13 VAL 33 -1.339 -3.137 -10.156 236 HG21 VAL 33 HG21 VAL 33 -4.341 -1.257 -9.608 237 HG22 VAL 33 HG22 VAL 33 -3.679 0.049 -8.624 238 HG23 VAL 33 HG23 VAL 33 -3.940 -1.545 -7.915 239 H GLU 34 HN GLU 34 0.236 -0.797 -10.013 240 HA GLU 34 HA GLU 34 1.652 -3.095 -10.305 241 HB2 GLU 34 HB2 GLU 34 1.999 -0.351 -11.046 242 HB3 GLU 34 HB1 GLU 34 3.576 -0.959 -10.565 243 HG2 GLU 34 HG2 GLU 34 3.312 -2.858 -12.133 244 HG3 GLU 34 HG1 GLU 34 1.734 -2.231 -12.614 245 H ALA 35 HN ALA 35 2.330 -0.555 -7.927 246 HA ALA 35 HA ALA 35 4.687 -1.698 -6.827 247 HB1 ALA 35 HB1 ALA 35 4.391 -0.189 -5.058 248 HB2 ALA 35 HB2 ALA 35 2.634 -0.351 -5.081 249 HB3 ALA 35 HB3 ALA 35 3.452 0.582 -6.334 250 H LEU 36 HN LEU 36 1.329 -2.010 -5.565 251 HA LEU 36 HA LEU 36 1.874 -4.076 -3.740 252 HB2 LEU 36 HB2 LEU 36 -0.572 -3.644 -5.472 253 HB3 LEU 36 HB1 LEU 36 -0.510 -4.804 -4.146 254 HG LEU 36 HG LEU 36 0.230 -1.918 -3.650 255 HD11 LEU 36 HD11 LEU 36 -1.920 -1.720 -4.688 256 HD12 LEU 36 HD12 LEU 36 -2.192 -1.634 -2.948 257 HD13 LEU 36 HD13 LEU 36 -2.532 -3.123 -3.820 258 HD21 LEU 36 HD21 LEU 36 -0.539 -2.462 -1.393 259 HD22 LEU 36 HD22 LEU 36 0.625 -3.676 -1.906 260 HD23 LEU 36 HD23 LEU 36 -1.094 -4.041 -1.936 261 H TYR 37 HN TYR 37 1.047 -4.292 -7.194 262 HA TYR 37 HA TYR 37 1.121 -7.117 -7.416 263 HB2 TYR 37 HB2 TYR 37 0.454 -5.389 -9.197 264 HB3 TYR 37 HB1 TYR 37 2.168 -5.195 -9.509 265 HD1 TYR 37 HD1 TYR 37 -0.745 -7.254 -10.066 266 HD2 TYR 37 HD2 TYR 37 3.549 -7.230 -10.156 267 HE1 TYR 37 HE1 TYR 37 -0.764 -9.284 -11.490 268 HE2 TYR 37 HE2 TYR 37 3.530 -9.260 -11.580 269 HH TYR 37 HH TYR 37 2.154 -11.048 -12.212 270 H LEU 38 HN LEU 38 3.590 -4.735 -6.987 271 HA LEU 38 HA LEU 38 5.821 -6.535 -7.630 272 HB2 LEU 38 HB2 LEU 38 5.570 -3.885 -7.831 273 HB3 LEU 38 HB1 LEU 38 6.088 -3.926 -6.158 274 HG LEU 38 HG LEU 38 8.020 -5.454 -7.052 275 HD11 LEU 38 HD11 LEU 38 8.631 -5.076 -9.347 276 HD12 LEU 38 HD12 LEU 38 7.370 -3.861 -9.545 277 HD13 LEU 38 HD13 LEU 38 6.937 -5.558 -9.366 278 HD21 LEU 38 HD21 LEU 38 8.435 -3.281 -6.100 279 HD22 LEU 38 HD22 LEU 38 7.752 -2.471 -7.509 280 HD23 LEU 38 HD23 LEU 38 9.287 -3.328 -7.643 281 H VAL 39 HN VAL 39 4.899 -4.667 -4.743 282 HA VAL 39 HA VAL 39 6.435 -6.006 -2.820 283 HB VAL 39 HB VAL 39 3.651 -4.849 -2.450 284 HG11 VAL 39 HG11 VAL 39 4.636 -6.155 -0.525 285 HG12 VAL 39 HG12 VAL 39 4.287 -4.464 -0.182 286 HG13 VAL 39 HG13 VAL 39 5.945 -4.973 -0.491 287 HG21 VAL 39 HG21 VAL 39 6.371 -3.552 -2.501 288 HG22 VAL 39 HG22 VAL 39 4.936 -2.790 -1.830 289 HG23 VAL 39 HG23 VAL 39 4.993 -3.204 -3.543 290 H CYS 40 HN CYS 40 2.993 -6.560 -3.547 291 HA CYS 40 HA CYS 40 2.865 -8.940 -1.938 292 HB2 CYS 40 HB2 CYS 40 1.007 -7.248 -2.851 293 HB3 CYS 40 HB1 CYS 40 0.877 -8.455 -4.125 294 H GLY 41 HN GLY 41 3.563 -8.375 -5.346 295 HA2 GLY 41 HA2 GLY 41 4.077 -9.918 -7.057 296 HA3 GLY 41 HA1 GLY 41 4.889 -10.799 -5.763 297 H GLU 42 HN GLU 42 4.179 -12.861 -5.591 298 HA GLU 42 HA GLU 42 1.588 -13.637 -6.726 299 HB2 GLU 42 HB2 GLU 42 2.307 -15.947 -6.037 300 HB3 GLU 42 HB1 GLU 42 3.424 -15.137 -7.133 301 HG2 GLU 42 HG2 GLU 42 3.808 -14.912 -4.148 302 HG3 GLU 42 HG1 GLU 42 4.376 -16.340 -5.008 303 H ARG 43 HN ARG 43 2.676 -12.653 -3.646 304 HA ARG 43 HA ARG 43 1.179 -14.286 -1.903 305 HB2 ARG 43 HB2 ARG 43 1.866 -11.355 -1.721 306 HB3 ARG 43 HB1 ARG 43 1.034 -12.206 -0.429 307 HG2 ARG 43 HG2 ARG 43 2.914 -13.825 -0.322 308 HG3 ARG 43 HG1 ARG 43 3.758 -12.895 -1.564 309 HD2 ARG 43 HD2 ARG 43 3.423 -10.862 0.025 310 HD3 ARG 43 HD1 ARG 43 3.085 -12.077 1.261 311 HE ARG 43 HE ARG 43 5.502 -12.832 0.006 312 HH11 ARG 43 HH11 ARG 43 7.475 -12.295 0.972 313 HH12 ARG 43 HH12 ARG 43 7.542 -10.989 2.107 314 HH21 ARG 43 HH21 ARG 43 4.161 -10.256 1.865 315 HH22 ARG 43 HH22 ARG 43 5.666 -9.834 2.612 316 H GLY 44 HN GLY 44 0.110 -11.637 -3.939 317 HA2 GLY 44 HA2 GLY 44 -2.149 -11.414 -4.758 318 HA3 GLY 44 HA1 GLY 44 -2.702 -12.465 -3.448 319 H TYR 45 HN TYR 45 -3.032 -9.395 -4.454 320 HA TYR 45 HA TYR 45 -3.250 -8.337 -1.662 321 HB2 TYR 45 HB2 TYR 45 -2.600 -6.124 -2.485 322 HB3 TYR 45 HB1 TYR 45 -1.336 -7.261 -2.879 323 HD1 TYR 45 HD1 TYR 45 -3.811 -4.982 -4.211 324 HD2 TYR 45 HD2 TYR 45 -1.216 -8.252 -5.162 325 HE1 TYR 45 HE1 TYR 45 -4.009 -4.434 -6.612 326 HE2 TYR 45 HE2 TYR 45 -1.424 -7.723 -7.579 327 HH TYR 45 HH TYR 45 -2.465 -6.468 -9.098 328 H PHE 46 HN PHE 46 -4.775 -6.354 -1.702 329 HA PHE 46 HA PHE 46 -7.062 -6.894 -3.580 330 HB2 PHE 46 HB2 PHE 46 -7.444 -5.923 -0.754 331 HB3 PHE 46 HB1 PHE 46 -8.604 -6.710 -1.820 332 HD1 PHE 46 HD1 PHE 46 -5.744 -7.214 0.438 333 HD2 PHE 46 HD2 PHE 46 -8.552 -9.132 -2.187 334 HE1 PHE 46 HE1 PHE 46 -5.111 -9.422 1.373 335 HE2 PHE 46 HE2 PHE 46 -7.918 -11.340 -1.252 336 HZ PHE 46 HZ PHE 46 -6.197 -11.485 0.528 337 H TYR 47 HN TYR 47 -7.421 -5.162 -4.809 338 HA TYR 47 HA TYR 47 -7.025 -2.428 -3.648 339 HB2 TYR 47 HB2 TYR 47 -5.175 -2.980 -5.206 340 HB3 TYR 47 HB1 TYR 47 -6.359 -3.299 -6.476 341 HD1 TYR 47 HD1 TYR 47 -4.995 -0.679 -4.221 342 HD2 TYR 47 HD2 TYR 47 -7.420 -1.516 -7.666 343 HE1 TYR 47 HE1 TYR 47 -5.087 1.734 -4.742 344 HE2 TYR 47 HE2 TYR 47 -7.505 0.907 -8.193 345 HH TYR 47 HH TYR 47 -6.093 2.943 -7.710 346 H THR 48 HN THR 48 -9.104 -1.685 -3.468 347 HA THR 48 HA THR 48 -10.696 -1.178 -5.795 348 HB THR 48 HB THR 48 -11.210 -3.533 -5.817 349 HG1 THR 48 HG1 THR 48 -13.264 -3.181 -5.955 350 HG21 THR 48 HG21 THR 48 -12.286 -4.518 -3.685 351 HG22 THR 48 HG22 THR 48 -11.559 -3.148 -2.847 352 HG23 THR 48 HG23 THR 48 -10.535 -4.308 -3.693 353 H LYS 49 HN LYS 49 -13.086 -1.867 -3.764 354 HA LYS 49 HA LYS 49 -14.445 -0.437 -2.484 355 HB2 LYS 49 HB2 LYS 49 -11.773 -0.482 -1.079 356 HB3 LYS 49 HB1 LYS 49 -13.180 0.325 -0.399 357 HG2 LYS 49 HG2 LYS 49 -14.446 -1.723 -0.366 358 HG3 LYS 49 HG1 LYS 49 -13.195 -2.567 -1.277 359 HD2 LYS 49 HD2 LYS 49 -11.665 -2.484 0.551 360 HD3 LYS 49 HD1 LYS 49 -12.654 -1.307 1.417 361 HE2 LYS 49 HE2 LYS 49 -12.774 -3.812 2.143 362 HE3 LYS 49 HE1 LYS 49 -14.278 -2.903 1.991 363 HZ1 LYS 49 HZ1 LYS 49 -14.383 -5.074 0.896 364 HZ2 LYS 49 HZ2 LYS 49 -13.104 -4.622 -0.128 365 HZ3 LYS 49 HZ3 LYS 49 -14.590 -3.802 -0.207 366 HA PRO 50 HA PRO 50 -12.414 3.187 -5.002 367 HB2 PRO 50 HB2 PRO 50 -15.356 3.598 -5.224 368 HB3 PRO 50 HB1 PRO 50 -14.117 3.618 -6.492 369 HG2 PRO 50 HG2 PRO 50 -15.863 1.459 -5.757 370 HG3 PRO 50 HG1 PRO 50 -14.632 1.482 -7.031 371 HD2 PRO 50 HD2 PRO 50 -14.477 -0.092 -4.760 372 HD3 PRO 50 HD1 PRO 50 -13.067 0.427 -5.709 373 H THR 51 HN THR 51 -11.728 4.681 -3.498 374 HA THR 51 HA THR 51 -13.317 5.402 -1.177 375 HB THR 51 HB THR 51 -11.522 7.032 -0.740 376 HG1 THR 51 HG1 THR 51 -10.148 6.209 -3.012 377 HG21 THR 51 HG21 THR 51 -11.023 4.799 -0.038 378 HG22 THR 51 HG22 THR 51 -9.574 5.399 -0.845 379 HG23 THR 51 HG23 THR 51 -10.658 4.294 -1.688 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 -9.386 5.870 0.891 2 H2 GLY 1 HT2 GLY 1 -9.134 5.106 2.387 3 H3 GLY 1 HT3 GLY 1 -10.476 4.686 1.434 4 HA2 GLY 1 HA2 GLY 1 -9.060 2.859 1.085 5 HA3 GLY 1 HA1 GLY 1 -8.675 3.994 -0.241 6 H ILE 2 HN ILE 2 -6.947 2.242 -0.149 7 HA ILE 2 HA ILE 2 -4.555 3.496 0.763 8 HB ILE 2 HB ILE 2 -4.699 1.115 0.096 9 HG12 ILE 2 HG12 ILE 2 -2.739 2.625 -1.650 10 HG13 ILE 2 HG11 ILE 2 -2.526 2.400 0.081 11 HG21 ILE 2 HG21 ILE 2 -4.935 2.228 -2.715 12 HG22 ILE 2 HG22 ILE 2 -6.192 1.372 -1.835 13 HG23 ILE 2 HG23 ILE 2 -4.716 0.531 -2.307 14 HD11 ILE 2 HD11 ILE 2 -1.476 0.469 -0.411 15 HD12 ILE 2 HD12 ILE 2 -1.983 0.537 -2.094 16 HD13 ILE 2 HD13 ILE 2 -3.038 -0.193 -0.888 17 H VAL 3 HN VAL 3 -6.428 3.863 -2.174 18 HA VAL 3 HA VAL 3 -4.561 5.242 -3.795 19 HB VAL 3 HB VAL 3 -7.520 5.850 -3.624 20 HG11 VAL 3 HG11 VAL 3 -7.263 6.232 -6.013 21 HG12 VAL 3 HG12 VAL 3 -5.571 5.739 -5.932 22 HG13 VAL 3 HG13 VAL 3 -6.100 7.215 -5.123 23 HG21 VAL 3 HG21 VAL 3 -7.391 3.458 -3.638 24 HG22 VAL 3 HG22 VAL 3 -6.083 3.474 -4.820 25 HG23 VAL 3 HG23 VAL 3 -7.710 3.949 -5.301 26 H GLU 4 HN GLU 4 -6.725 6.386 -1.269 27 HA GLU 4 HA GLU 4 -6.265 9.182 -1.714 28 HB2 GLU 4 HB2 GLU 4 -7.084 7.750 0.822 29 HB3 GLU 4 HB1 GLU 4 -7.260 9.477 0.518 30 HG2 GLU 4 HG2 GLU 4 -8.460 7.508 -1.432 31 HG3 GLU 4 HG1 GLU 4 -9.292 7.854 0.081 32 H GLN 5 HN GLN 5 -4.789 6.886 0.565 33 HA GLN 5 HA GLN 5 -3.039 8.906 1.696 34 HB2 GLN 5 HB2 GLN 5 -3.844 6.733 2.807 35 HB3 GLN 5 HB1 GLN 5 -2.606 5.928 1.856 36 HG2 GLN 5 HG2 GLN 5 -1.538 6.413 3.913 37 HG3 GLN 5 HG1 GLN 5 -0.965 7.666 2.811 38 HE21 GLN 5 HE21 GLN 5 -4.127 8.435 3.283 39 HE22 GLN 5 HE22 GLN 5 -3.985 9.472 4.611 40 H CYS 6 HN CYS 6 -2.659 6.533 -0.924 41 HA CYS 6 HA CYS 6 0.226 7.131 -1.106 42 HB2 CYS 6 HB2 CYS 6 -1.414 5.349 -2.888 43 HB3 CYS 6 HB1 CYS 6 0.314 5.295 -2.590 44 H CYS 7 HN CYS 7 -2.746 7.919 -2.864 45 HA CYS 7 HA CYS 7 -1.159 9.031 -5.105 46 HB2 CYS 7 HB2 CYS 7 -3.387 7.818 -5.408 47 HB3 CYS 7 HB1 CYS 7 -4.148 9.239 -4.722 48 H THR 8 HN THR 8 -3.733 10.358 -3.002 49 HA THR 8 HA THR 8 -3.195 13.075 -3.551 50 HB THR 8 HB THR 8 -4.035 12.025 -0.838 51 HG1 THR 8 HG1 THR 8 -6.012 12.577 -2.653 52 HG21 THR 8 HG21 THR 8 -3.730 14.414 -0.996 53 HG22 THR 8 HG22 THR 8 -5.456 14.063 -0.922 54 HG23 THR 8 HG23 THR 8 -4.707 14.481 -2.462 55 H SER 9 HN SER 9 -1.299 10.753 -2.039 56 HA SER 9 HA SER 9 0.676 12.755 -1.211 57 HB2 SER 9 HB2 SER 9 -0.348 10.851 0.889 58 HB3 SER 9 HB1 SER 9 0.567 12.339 1.104 59 HG SER 9 HG SER 9 -2.133 12.012 0.341 60 H ILE 10 HN ILE 10 1.893 10.702 0.622 61 HA ILE 10 HA ILE 10 2.708 8.635 -1.394 62 HB ILE 10 HB ILE 10 4.505 10.068 0.589 63 HG12 ILE 10 HG12 ILE 10 4.509 10.307 -2.421 64 HG13 ILE 10 HG11 ILE 10 3.632 11.417 -1.386 65 HG21 ILE 10 HG21 ILE 10 5.090 7.671 -0.086 66 HG22 ILE 10 HG22 ILE 10 6.308 8.883 -0.455 67 HG23 ILE 10 HG23 ILE 10 5.260 8.274 -1.733 68 HD11 ILE 10 HD11 ILE 10 5.971 12.162 -2.020 69 HD12 ILE 10 HD12 ILE 10 6.568 10.834 -1.025 70 HD13 ILE 10 HD13 ILE 10 5.630 12.135 -0.291 71 H CYS 11 HN CYS 11 2.957 6.570 -0.566 72 HA CYS 11 HA CYS 11 2.135 6.174 2.291 73 HB2 CYS 11 HB2 CYS 11 1.925 4.431 -0.172 74 HB3 CYS 11 HB1 CYS 11 1.677 3.799 1.454 75 H SER 12 HN SER 12 3.083 4.024 3.177 76 HA SER 12 HA SER 12 6.007 3.865 2.501 77 HB2 SER 12 HB2 SER 12 4.593 3.608 5.163 78 HB3 SER 12 HB1 SER 12 6.272 3.147 4.909 79 HG SER 12 HG SER 12 5.249 5.697 4.222 80 H LEU 13 HN LEU 13 6.899 1.787 2.404 81 HA LEU 13 HA LEU 13 5.464 -0.294 1.333 82 HB2 LEU 13 HB2 LEU 13 8.066 0.086 2.022 83 HB3 LEU 13 HB1 LEU 13 7.626 -1.090 3.251 84 HG LEU 13 HG LEU 13 6.761 -2.586 1.440 85 HD11 LEU 13 HD11 LEU 13 7.525 -0.229 -0.223 86 HD12 LEU 13 HD12 LEU 13 6.269 -1.438 -0.484 87 HD13 LEU 13 HD13 LEU 13 7.938 -1.811 -0.885 88 HD21 LEU 13 HD21 LEU 13 9.013 -3.244 0.643 89 HD22 LEU 13 HD22 LEU 13 9.026 -2.851 2.362 90 HD23 LEU 13 HD23 LEU 13 9.649 -1.691 1.188 91 H TYR 14 HN TYR 14 5.782 0.460 4.787 92 HA TYR 14 HA TYR 14 4.638 -2.008 5.712 93 HB2 TYR 14 HB2 TYR 14 4.997 -1.083 7.764 94 HB3 TYR 14 HB1 TYR 14 5.638 0.320 6.919 95 HD1 TYR 14 HD1 TYR 14 4.581 2.392 7.163 96 HD2 TYR 14 HD2 TYR 14 2.427 -1.172 8.106 97 HE1 TYR 14 HE1 TYR 14 2.725 3.771 8.066 98 HE2 TYR 14 HE2 TYR 14 0.562 0.184 9.013 99 HH TYR 14 HH TYR 14 0.846 3.439 9.745 100 H GLN 15 HN GLN 15 3.220 1.002 4.557 101 HA GLN 15 HA GLN 15 0.511 0.227 5.255 102 HB2 GLN 15 HB2 GLN 15 1.369 2.277 3.193 103 HB3 GLN 15 HB1 GLN 15 -0.168 2.193 4.042 104 HG2 GLN 15 HG2 GLN 15 0.896 2.721 6.151 105 HG3 GLN 15 HG1 GLN 15 2.492 2.631 5.407 106 HE21 GLN 15 HE21 GLN 15 0.561 3.942 3.068 107 HE22 GLN 15 HE22 GLN 15 0.794 5.590 3.391 108 H LEU 16 HN LEU 16 2.619 0.051 2.433 109 HA LEU 16 HA LEU 16 0.610 -0.866 0.599 110 HB2 LEU 16 HB2 LEU 16 3.097 0.104 0.294 111 HB3 LEU 16 HB1 LEU 16 3.504 -1.600 0.270 112 HG LEU 16 HG LEU 16 1.938 -1.961 -1.584 113 HD11 LEU 16 HD11 LEU 16 1.296 0.474 -2.654 114 HD12 LEU 16 HD12 LEU 16 1.147 0.819 -0.932 115 HD13 LEU 16 HD13 LEU 16 0.215 -0.487 -1.658 116 HD21 LEU 16 HD21 LEU 16 3.373 0.286 -2.775 117 HD22 LEU 16 HD22 LEU 16 3.581 -1.438 -3.024 118 HD23 LEU 16 HD23 LEU 16 4.412 -0.636 -1.693 119 H GLU 17 HN GLU 17 3.161 -2.562 2.430 120 HA GLU 17 HA GLU 17 2.437 -5.197 1.597 121 HB2 GLU 17 HB2 GLU 17 3.603 -4.303 4.259 122 HB3 GLU 17 HB1 GLU 17 3.627 -5.952 3.636 123 HG2 GLU 17 HG2 GLU 17 5.161 -5.432 1.940 124 HG3 GLU 17 HG1 GLU 17 4.805 -3.705 2.008 125 H ASN 18 HN ASN 18 1.133 -2.982 3.899 126 HA ASN 18 HA ASN 18 -0.373 -4.753 5.541 127 HB2 ASN 18 HB2 ASN 18 -0.156 -1.895 5.037 128 HB3 ASN 18 HB1 ASN 18 -1.806 -2.318 5.387 129 HD21 ASN 18 HD21 ASN 18 0.449 -0.916 6.981 130 HD22 ASN 18 HD22 ASN 18 0.366 -1.716 8.467 131 H TYR 19 HN TYR 19 -1.128 -3.346 2.346 132 HA TYR 19 HA TYR 19 -3.882 -4.413 2.438 133 HB2 TYR 19 HB2 TYR 19 -2.297 -3.153 0.180 134 HB3 TYR 19 HB1 TYR 19 -3.997 -3.610 0.082 135 HD1 TYR 19 HD1 TYR 19 -5.671 -2.508 1.645 136 HD2 TYR 19 HD2 TYR 19 -1.625 -1.155 1.237 137 HE1 TYR 19 HE1 TYR 19 -6.294 -0.341 2.690 138 HE2 TYR 19 HE2 TYR 19 -2.235 1.008 2.292 139 HH TYR 19 HH TYR 19 -4.687 2.338 2.453 140 H CYS 20 HN CYS 20 -0.868 -5.740 1.950 141 HA CYS 20 HA CYS 20 -1.820 -7.746 -0.029 142 HB2 CYS 20 HB2 CYS 20 0.324 -6.862 -0.594 143 HB3 CYS 20 HB1 CYS 20 0.918 -7.083 1.054 144 H ASN 21 HN ASN 21 -1.872 -9.949 0.486 145 HA ASN 21 HA ASN 21 -2.398 -10.583 3.257 146 HB2 ASN 21 HB2 ASN 21 -2.412 -12.979 2.232 147 HB3 ASN 21 HB1 ASN 21 -3.650 -11.844 1.711 148 HD21 ASN 21 HD21 ASN 21 -3.674 -13.270 -0.306 149 HD22 ASN 21 HD22 ASN 21 -2.527 -12.957 -1.516 150 H1 PHE 22 HT1 PHE 22 11.407 1.367 1.004 151 H2 PHE 22 HT2 PHE 22 12.734 2.217 0.368 152 H3 PHE 22 HT3 PHE 22 12.523 0.570 0.005 153 HA PHE 22 HA PHE 22 11.694 1.428 -1.901 154 HB2 PHE 22 HB2 PHE 22 9.855 0.336 -0.314 155 HB3 PHE 22 HB1 PHE 22 9.182 1.963 -0.323 156 HD1 PHE 22 HD1 PHE 22 8.104 2.858 -2.284 157 HD2 PHE 22 HD2 PHE 22 10.162 -0.908 -2.452 158 HE1 PHE 22 HE1 PHE 22 7.108 2.412 -4.513 159 HE2 PHE 22 HE2 PHE 22 9.170 -1.352 -4.682 160 HZ PHE 22 HZ PHE 22 7.643 0.308 -5.712 161 H VAL 23 HN VAL 23 11.566 3.318 -3.081 162 HA VAL 23 HA VAL 23 12.121 5.822 -1.876 163 HB VAL 23 HB VAL 23 12.469 5.290 -4.299 164 HG11 VAL 23 HG11 VAL 23 9.511 5.857 -4.601 165 HG12 VAL 23 HG12 VAL 23 10.141 4.214 -4.483 166 HG13 VAL 23 HG13 VAL 23 10.633 5.253 -5.821 167 HG21 VAL 23 HG21 VAL 23 10.669 7.697 -3.900 168 HG22 VAL 23 HG22 VAL 23 11.984 7.522 -5.062 169 HG23 VAL 23 HG23 VAL 23 12.340 7.645 -3.339 170 H ASN 24 HN ASN 24 10.733 7.718 -1.699 171 HA ASN 24 HA ASN 24 7.908 6.997 -1.019 172 HB2 ASN 24 HB2 ASN 24 8.482 9.594 -0.029 173 HB3 ASN 24 HB1 ASN 24 8.349 8.121 0.910 174 HD21 ASN 24 HD21 ASN 24 10.270 10.593 0.912 175 HD22 ASN 24 HD22 ASN 24 11.788 9.864 1.072 176 H GLN 25 HN GLN 25 7.115 7.203 -3.165 177 HA GLN 25 HA GLN 25 6.975 9.992 -4.194 178 HB2 GLN 25 HB2 GLN 25 6.865 8.990 -6.444 179 HB3 GLN 25 HB1 GLN 25 8.405 8.674 -5.663 180 HG2 GLN 25 HG2 GLN 25 7.265 6.476 -4.860 181 HG3 GLN 25 HG1 GLN 25 6.099 6.804 -6.134 182 HE21 GLN 25 HE21 GLN 25 8.101 8.098 -7.880 183 HE22 GLN 25 HE22 GLN 25 9.044 6.841 -8.495 184 H HIS 26 HN HIS 26 4.942 10.562 -5.160 185 HA HIS 26 HA HIS 26 2.659 9.242 -3.962 186 HB2 HIS 26 HB2 HIS 26 2.670 11.316 -6.171 187 HB3 HIS 26 HB1 HIS 26 1.344 10.936 -5.081 188 HD1 HIS 26 HD1 HIS 26 1.128 12.562 -3.220 189 HD2 HIS 26 HD2 HIS 26 5.095 12.184 -4.451 190 HE1 HIS 26 HE1 HIS 26 2.483 14.154 -1.787 191 HE2 HIS 26 HE2 HIS 26 4.891 13.957 -2.552 192 H LEU 27 HN LEU 27 2.013 7.262 -4.784 193 HA LEU 27 HA LEU 27 2.291 6.717 -7.678 194 HB2 LEU 27 HB2 LEU 27 1.096 4.890 -5.595 195 HB3 LEU 27 HB1 LEU 27 1.786 4.461 -7.146 196 HG LEU 27 HG LEU 27 3.469 5.765 -5.001 197 HD11 LEU 27 HD11 LEU 27 2.448 3.688 -4.099 198 HD12 LEU 27 HD12 LEU 27 4.192 3.544 -4.318 199 HD13 LEU 27 HD13 LEU 27 3.093 2.802 -5.481 200 HD21 LEU 27 HD21 LEU 27 5.274 4.627 -6.277 201 HD22 LEU 27 HD22 LEU 27 4.367 5.757 -7.282 202 HD23 LEU 27 HD23 LEU 27 4.066 4.025 -7.411 203 H CYS 28 HN CYS 28 0.520 6.233 -8.993 204 HA CYS 28 HA CYS 28 -2.212 6.373 -7.954 205 HB2 CYS 28 HB2 CYS 28 -1.240 8.433 -9.959 206 HB3 CYS 28 HB1 CYS 28 -2.884 8.254 -9.364 207 H GLY 29 HN GLY 29 -3.689 6.392 -10.166 208 HA2 GLY 29 HA2 GLY 29 -4.297 4.988 -11.963 209 HA3 GLY 29 HA1 GLY 29 -2.681 5.345 -12.569 210 H SER 30 HN SER 30 -2.151 3.281 -13.277 211 HA SER 30 HA SER 30 -2.561 0.947 -11.570 212 HB2 SER 30 HB2 SER 30 -0.742 1.004 -13.973 213 HB3 SER 30 HB1 SER 30 -1.711 -0.330 -13.348 214 HG SER 30 HG SER 30 -3.325 1.714 -13.875 215 H ASP 31 HN ASP 31 -0.094 3.341 -11.922 216 HA ASP 31 HA ASP 31 2.278 2.005 -11.278 217 HB2 ASP 31 HB2 ASP 31 1.389 4.588 -9.951 218 HB3 ASP 31 HB1 ASP 31 3.043 4.056 -10.240 219 H LEU 32 HN LEU 32 -0.018 3.368 -8.923 220 HA LEU 32 HA LEU 32 1.058 2.338 -6.556 221 HB2 LEU 32 HB2 LEU 32 -0.825 3.854 -6.531 222 HB3 LEU 32 HB1 LEU 32 -1.821 2.709 -7.424 223 HG LEU 32 HG LEU 32 -1.858 1.181 -5.550 224 HD11 LEU 32 HD11 LEU 32 -0.744 2.038 -3.368 225 HD12 LEU 32 HD12 LEU 32 0.205 3.080 -4.424 226 HD13 LEU 32 HD13 LEU 32 0.303 1.328 -4.594 227 HD21 LEU 32 HD21 LEU 32 -3.412 3.140 -5.573 228 HD22 LEU 32 HD22 LEU 32 -2.270 4.010 -4.557 229 HD23 LEU 32 HD23 LEU 32 -3.052 2.558 -3.952 230 H VAL 33 HN VAL 33 -1.447 0.769 -8.590 231 HA VAL 33 HA VAL 33 -1.615 -1.675 -7.217 232 HB VAL 33 HB VAL 33 -1.802 -1.028 -10.167 233 HG11 VAL 33 HG11 VAL 33 -2.000 -3.698 -8.763 234 HG12 VAL 33 HG12 VAL 33 -1.156 -3.299 -10.258 235 HG13 VAL 33 HG13 VAL 33 -2.916 -3.389 -10.239 236 HG21 VAL 33 HG21 VAL 33 -3.539 -0.235 -8.515 237 HG22 VAL 33 HG22 VAL 33 -3.903 -1.930 -8.190 238 HG23 VAL 33 HG23 VAL 33 -4.162 -1.265 -9.803 239 H GLU 34 HN GLU 34 0.386 -1.006 -10.071 240 HA GLU 34 HA GLU 34 1.815 -3.302 -10.293 241 HB2 GLU 34 HB2 GLU 34 2.474 -0.430 -10.708 242 HB3 GLU 34 HB1 GLU 34 3.810 -1.566 -10.797 243 HG2 GLU 34 HG2 GLU 34 2.535 -2.884 -12.481 244 HG3 GLU 34 HG1 GLU 34 1.257 -1.671 -12.428 245 H ALA 35 HN ALA 35 2.372 -0.730 -7.927 246 HA ALA 35 HA ALA 35 4.730 -1.806 -6.745 247 HB1 ALA 35 HB1 ALA 35 3.539 0.470 -6.317 248 HB2 ALA 35 HB2 ALA 35 4.309 -0.327 -4.946 249 HB3 ALA 35 HB3 ALA 35 2.560 -0.428 -5.158 250 H LEU 36 HN LEU 36 1.340 -2.138 -5.578 251 HA LEU 36 HA LEU 36 1.849 -4.168 -3.703 252 HB2 LEU 36 HB2 LEU 36 -0.545 -3.762 -5.512 253 HB3 LEU 36 HB1 LEU 36 -0.522 -4.923 -4.186 254 HG LEU 36 HG LEU 36 0.208 -2.041 -3.653 255 HD11 LEU 36 HD11 LEU 36 -1.987 -2.073 -4.860 256 HD12 LEU 36 HD12 LEU 36 -2.118 -1.528 -3.189 257 HD13 LEU 36 HD13 LEU 36 -2.601 -3.163 -3.620 258 HD21 LEU 36 HD21 LEU 36 -0.681 -2.607 -1.430 259 HD22 LEU 36 HD22 LEU 36 0.553 -3.770 -1.899 260 HD23 LEU 36 HD23 LEU 36 -1.148 -4.200 -2.012 261 H TYR 37 HN TYR 37 1.127 -4.444 -7.173 262 HA TYR 37 HA TYR 37 1.252 -7.266 -7.380 263 HB2 TYR 37 HB2 TYR 37 0.642 -5.536 -9.196 264 HB3 TYR 37 HB1 TYR 37 2.368 -5.357 -9.445 265 HD1 TYR 37 HD1 TYR 37 -0.524 -7.547 -9.884 266 HD2 TYR 37 HD2 TYR 37 3.746 -7.258 -10.241 267 HE1 TYR 37 HE1 TYR 37 -0.505 -9.585 -11.296 268 HE2 TYR 37 HE2 TYR 37 3.766 -9.297 -11.653 269 HH TYR 37 HH TYR 37 0.902 -11.258 -12.090 270 H LEU 38 HN LEU 38 3.673 -4.845 -6.877 271 HA LEU 38 HA LEU 38 5.950 -6.618 -7.424 272 HB2 LEU 38 HB2 LEU 38 5.667 -3.965 -7.637 273 HB3 LEU 38 HB1 LEU 38 6.149 -4.003 -5.956 274 HG LEU 38 HG LEU 38 8.128 -5.474 -6.764 275 HD11 LEU 38 HD11 LEU 38 8.798 -4.842 -9.118 276 HD12 LEU 38 HD12 LEU 38 7.174 -4.205 -9.350 277 HD13 LEU 38 HD13 LEU 38 7.412 -5.923 -9.035 278 HD21 LEU 38 HD21 LEU 38 9.375 -3.375 -7.386 279 HD22 LEU 38 HD22 LEU 38 8.410 -3.217 -5.917 280 HD23 LEU 38 HD23 LEU 38 7.826 -2.534 -7.434 281 H VAL 39 HN VAL 39 4.889 -4.747 -4.587 282 HA VAL 39 HA VAL 39 6.377 -6.057 -2.603 283 HB VAL 39 HB VAL 39 3.574 -4.917 -2.334 284 HG11 VAL 39 HG11 VAL 39 5.799 -4.998 -0.297 285 HG12 VAL 39 HG12 VAL 39 4.520 -6.210 -0.374 286 HG13 VAL 39 HG13 VAL 39 4.120 -4.527 -0.048 287 HG21 VAL 39 HG21 VAL 39 4.830 -2.843 -1.680 288 HG22 VAL 39 HG22 VAL 39 4.931 -3.259 -3.390 289 HG23 VAL 39 HG23 VAL 39 6.286 -3.598 -2.314 290 H CYS 40 HN CYS 40 2.968 -6.642 -3.445 291 HA CYS 40 HA CYS 40 2.795 -9.017 -1.834 292 HB2 CYS 40 HB2 CYS 40 0.961 -7.341 -2.799 293 HB3 CYS 40 HB1 CYS 40 0.890 -8.528 -4.096 294 H GLY 41 HN GLY 41 3.653 -8.456 -5.198 295 HA2 GLY 41 HA2 GLY 41 4.339 -9.979 -6.857 296 HA3 GLY 41 HA1 GLY 41 4.941 -10.942 -5.509 297 H GLU 42 HN GLU 42 4.203 -12.992 -5.812 298 HA GLU 42 HA GLU 42 1.603 -13.495 -7.070 299 HB2 GLU 42 HB2 GLU 42 2.229 -15.913 -6.610 300 HB3 GLU 42 HB1 GLU 42 3.364 -15.026 -7.629 301 HG2 GLU 42 HG2 GLU 42 4.898 -14.721 -5.826 302 HG3 GLU 42 HG1 GLU 42 3.706 -15.236 -4.632 303 H ARG 43 HN ARG 43 2.585 -12.795 -3.932 304 HA ARG 43 HA ARG 43 1.071 -14.580 -2.343 305 HB2 ARG 43 HB2 ARG 43 1.530 -11.636 -1.859 306 HB3 ARG 43 HB1 ARG 43 1.057 -12.808 -0.641 307 HG2 ARG 43 HG2 ARG 43 3.154 -14.015 -0.942 308 HG3 ARG 43 HG1 ARG 43 3.617 -12.932 -2.255 309 HD2 ARG 43 HD2 ARG 43 3.301 -11.030 -0.480 310 HD3 ARG 43 HD1 ARG 43 3.427 -12.344 0.694 311 HE ARG 43 HE ARG 43 5.573 -12.436 -1.248 312 HH11 ARG 43 HH11 ARG 43 7.632 -11.891 -0.488 313 HH12 ARG 43 HH12 ARG 43 7.789 -11.047 1.016 314 HH21 ARG 43 HH21 ARG 43 4.375 -10.925 1.609 315 HH22 ARG 43 HH22 ARG 43 5.945 -10.501 2.204 316 H GLY 44 HN GLY 44 0.104 -11.643 -4.024 317 HA2 GLY 44 HA2 GLY 44 -2.110 -11.342 -4.962 318 HA3 GLY 44 HA1 GLY 44 -2.745 -12.491 -3.787 319 H TYR 45 HN TYR 45 -2.992 -9.373 -4.533 320 HA TYR 45 HA TYR 45 -3.199 -8.480 -1.680 321 HB2 TYR 45 HB2 TYR 45 -2.710 -6.188 -2.506 322 HB3 TYR 45 HB1 TYR 45 -1.374 -7.272 -2.811 323 HD1 TYR 45 HD1 TYR 45 -3.752 -5.035 -4.307 324 HD2 TYR 45 HD2 TYR 45 -1.232 -8.408 -5.078 325 HE1 TYR 45 HE1 TYR 45 -3.863 -4.553 -6.729 326 HE2 TYR 45 HE2 TYR 45 -1.344 -7.943 -7.515 327 HH TYR 45 HH TYR 45 -3.537 -5.568 -8.821 328 H PHE 46 HN PHE 46 -4.707 -6.448 -1.651 329 HA PHE 46 HA PHE 46 -7.109 -7.012 -3.368 330 HB2 PHE 46 HB2 PHE 46 -7.285 -5.902 -0.572 331 HB3 PHE 46 HB1 PHE 46 -8.532 -6.703 -1.523 332 HD1 PHE 46 HD1 PHE 46 -6.605 -7.202 1.257 333 HD2 PHE 46 HD2 PHE 46 -7.511 -9.138 -2.471 334 HE1 PHE 46 HE1 PHE 46 -5.979 -9.390 2.240 335 HE2 PHE 46 HE2 PHE 46 -6.884 -11.325 -1.486 336 HZ PHE 46 HZ PHE 46 -6.118 -11.451 0.868 337 H TYR 47 HN TYR 47 -7.417 -5.333 -4.686 338 HA TYR 47 HA TYR 47 -6.937 -2.556 -3.659 339 HB2 TYR 47 HB2 TYR 47 -5.139 -3.245 -5.241 340 HB3 TYR 47 HB1 TYR 47 -6.371 -3.558 -6.466 341 HD1 TYR 47 HD1 TYR 47 -4.853 -0.912 -4.332 342 HD2 TYR 47 HD2 TYR 47 -7.393 -1.779 -7.689 343 HE1 TYR 47 HE1 TYR 47 -4.877 1.480 -4.934 344 HE2 TYR 47 HE2 TYR 47 -7.408 0.626 -8.296 345 HH TYR 47 HH TYR 47 -5.312 2.929 -6.716 346 H THR 48 HN THR 48 -8.979 -1.764 -3.459 347 HA THR 48 HA THR 48 -10.620 -1.268 -5.740 348 HB THR 48 HB THR 48 -11.214 -3.589 -5.775 349 HG1 THR 48 HG1 THR 48 -13.337 -3.386 -5.526 350 HG21 THR 48 HG21 THR 48 -12.132 -4.637 -3.614 351 HG22 THR 48 HG22 THR 48 -11.378 -3.280 -2.777 352 HG23 THR 48 HG23 THR 48 -10.386 -4.402 -3.709 353 H LYS 49 HN LYS 49 -12.867 -2.026 -3.481 354 HA LYS 49 HA LYS 49 -14.165 -0.627 -2.112 355 HB2 LYS 49 HB2 LYS 49 -12.142 -1.435 -0.707 356 HB3 LYS 49 HB1 LYS 49 -11.522 0.202 -0.918 357 HG2 LYS 49 HG2 LYS 49 -13.729 1.056 -0.036 358 HG3 LYS 49 HG1 LYS 49 -14.138 -0.612 0.365 359 HD2 LYS 49 HD2 LYS 49 -11.982 -0.714 1.696 360 HD3 LYS 49 HD1 LYS 49 -11.841 1.028 1.459 361 HE2 LYS 49 HE2 LYS 49 -14.019 1.370 2.545 362 HE3 LYS 49 HE1 LYS 49 -14.198 -0.372 2.756 363 HZ1 LYS 49 HZ1 LYS 49 -13.276 1.012 4.689 364 HZ2 LYS 49 HZ2 LYS 49 -11.827 1.031 3.803 365 HZ3 LYS 49 HZ3 LYS 49 -12.501 -0.446 4.302 366 HA PRO 50 HA PRO 50 -12.720 2.923 -5.109 367 HB2 PRO 50 HB2 PRO 50 -15.695 3.057 -5.072 368 HB3 PRO 50 HB1 PRO 50 -14.584 3.075 -6.453 369 HG2 PRO 50 HG2 PRO 50 -16.043 0.844 -5.382 370 HG3 PRO 50 HG1 PRO 50 -14.944 0.863 -6.771 371 HD2 PRO 50 HD2 PRO 50 -14.431 -0.489 -4.412 372 HD3 PRO 50 HD1 PRO 50 -13.169 0.068 -5.533 373 H THR 51 HN THR 51 -12.799 5.145 -4.556 374 HA THR 51 HA THR 51 -14.530 6.092 -2.394 375 HB THR 51 HB THR 51 -12.906 5.197 -0.927 376 HG1 THR 51 HG1 THR 51 -11.723 7.093 -0.258 377 HG21 THR 51 HG21 THR 51 -11.219 4.496 -2.471 378 HG22 THR 51 HG22 THR 51 -10.433 5.614 -1.357 379 HG23 THR 51 HG23 THR 51 -10.895 6.156 -2.971 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -9.815 5.542 0.921 2 H2 GLY 1 HT2 GLY 1 -9.153 4.733 2.260 3 H3 GLY 1 HT3 GLY 1 -10.593 4.174 1.555 4 HA2 GLY 1 HA2 GLY 1 -9.293 2.635 0.526 5 HA3 GLY 1 HA1 GLY 1 -8.888 4.051 -0.485 6 H ILE 2 HN ILE 2 -7.166 2.212 -0.684 7 HA ILE 2 HA ILE 2 -4.797 3.442 0.407 8 HB ILE 2 HB ILE 2 -4.879 1.072 -0.336 9 HG12 ILE 2 HG12 ILE 2 -2.897 2.648 -1.999 10 HG13 ILE 2 HG11 ILE 2 -2.736 2.450 -0.258 11 HG21 ILE 2 HG21 ILE 2 -4.917 0.519 -2.692 12 HG22 ILE 2 HG22 ILE 2 -4.905 2.221 -3.135 13 HG23 ILE 2 HG23 ILE 2 -6.318 1.531 -2.346 14 HD11 ILE 2 HD11 ILE 2 -1.751 0.456 -0.581 15 HD12 ILE 2 HD12 ILE 2 -1.931 0.635 -2.321 16 HD13 ILE 2 HD13 ILE 2 -3.194 -0.157 -1.385 17 H VAL 3 HN VAL 3 -6.534 3.701 -2.643 18 HA VAL 3 HA VAL 3 -4.775 5.176 -4.222 19 HB VAL 3 HB VAL 3 -7.716 5.820 -3.945 20 HG11 VAL 3 HG11 VAL 3 -6.245 7.148 -5.487 21 HG12 VAL 3 HG12 VAL 3 -7.560 6.296 -6.297 22 HG13 VAL 3 HG13 VAL 3 -5.917 5.656 -6.368 23 HG21 VAL 3 HG21 VAL 3 -7.706 3.452 -3.996 24 HG22 VAL 3 HG22 VAL 3 -6.351 3.396 -5.123 25 HG23 VAL 3 HG23 VAL 3 -7.939 3.925 -5.679 26 H GLU 4 HN GLU 4 -6.880 6.349 -1.631 27 HA GLU 4 HA GLU 4 -6.338 9.122 -2.094 28 HB2 GLU 4 HB2 GLU 4 -6.993 8.031 0.632 29 HB3 GLU 4 HB1 GLU 4 -7.536 9.531 -0.125 30 HG2 GLU 4 HG2 GLU 4 -8.663 7.939 -1.886 31 HG3 GLU 4 HG1 GLU 4 -8.470 6.710 -0.635 32 H GLN 5 HN GLN 5 -5.071 7.088 0.570 33 HA GLN 5 HA GLN 5 -3.129 9.015 1.377 34 HB2 GLN 5 HB2 GLN 5 -2.135 7.211 2.684 35 HB3 GLN 5 HB1 GLN 5 -3.893 7.126 2.787 36 HG2 GLN 5 HG2 GLN 5 -3.824 5.472 0.876 37 HG3 GLN 5 HG1 GLN 5 -2.081 5.433 1.073 38 HE21 GLN 5 HE21 GLN 5 -4.406 5.712 3.729 39 HE22 GLN 5 HE22 GLN 5 -4.025 4.225 4.445 40 H CYS 6 HN CYS 6 -3.007 6.545 -1.143 41 HA CYS 6 HA CYS 6 -0.093 6.826 -1.421 42 HB2 CYS 6 HB2 CYS 6 -2.218 5.227 -2.830 43 HB3 CYS 6 HB1 CYS 6 -0.575 5.299 -3.439 44 H CYS 7 HN CYS 7 -3.011 7.985 -3.049 45 HA CYS 7 HA CYS 7 -1.313 9.305 -5.121 46 HB2 CYS 7 HB2 CYS 7 -3.388 7.919 -5.724 47 HB3 CYS 7 HB1 CYS 7 -4.331 9.231 -5.050 48 H THR 8 HN THR 8 -4.144 10.161 -3.093 49 HA THR 8 HA THR 8 -3.775 12.967 -3.380 50 HB THR 8 HB THR 8 -4.877 11.714 -0.858 51 HG1 THR 8 HG1 THR 8 -6.543 12.021 -3.052 52 HG21 THR 8 HG21 THR 8 -4.787 14.184 -1.172 53 HG22 THR 8 HG22 THR 8 -6.428 13.562 -0.990 54 HG23 THR 8 HG23 THR 8 -5.823 14.002 -2.588 55 H SER 9 HN SER 9 -1.870 10.628 -1.988 56 HA SER 9 HA SER 9 -0.077 12.589 -0.807 57 HB2 SER 9 HB2 SER 9 -1.696 12.257 1.026 58 HB3 SER 9 HB1 SER 9 -1.394 10.534 0.987 59 HG SER 9 HG SER 9 0.745 12.337 1.233 60 H ILE 10 HN ILE 10 0.976 10.412 0.962 61 HA ILE 10 HA ILE 10 2.150 8.593 -1.110 62 HB ILE 10 HB ILE 10 3.508 9.995 1.207 63 HG12 ILE 10 HG12 ILE 10 3.938 10.420 -1.753 64 HG13 ILE 10 HG11 ILE 10 2.882 11.421 -0.774 65 HG21 ILE 10 HG21 ILE 10 5.584 9.067 0.246 66 HG22 ILE 10 HG22 ILE 10 4.658 8.262 -1.017 67 HG23 ILE 10 HG23 ILE 10 4.482 7.762 0.666 68 HD11 ILE 10 HD11 ILE 10 5.278 12.266 -1.077 69 HD12 ILE 10 HD12 ILE 10 5.758 10.946 -0.014 70 HD13 ILE 10 HD13 ILE 10 4.666 12.199 0.574 71 H CYS 11 HN CYS 11 2.849 6.506 -0.194 72 HA CYS 11 HA CYS 11 1.713 5.896 2.519 73 HB2 CYS 11 HB2 CYS 11 1.399 3.499 1.286 74 HB3 CYS 11 HB1 CYS 11 0.136 4.720 1.309 75 H SER 12 HN SER 12 2.875 4.392 3.737 76 HA SER 12 HA SER 12 5.694 4.023 2.898 77 HB2 SER 12 HB2 SER 12 4.221 3.581 5.501 78 HB3 SER 12 HB1 SER 12 5.901 3.108 5.265 79 HG SER 12 HG SER 12 6.242 5.347 4.611 80 H LEU 13 HN LEU 13 6.643 1.957 2.719 81 HA LEU 13 HA LEU 13 5.297 -0.071 1.454 82 HB2 LEU 13 HB2 LEU 13 7.852 0.294 2.274 83 HB3 LEU 13 HB1 LEU 13 7.379 -0.933 3.438 84 HG LEU 13 HG LEU 13 6.622 -2.379 1.545 85 HD11 LEU 13 HD11 LEU 13 7.379 0.058 -0.001 86 HD12 LEU 13 HD12 LEU 13 6.172 -1.175 -0.356 87 HD13 LEU 13 HD13 LEU 13 7.866 -1.483 -0.707 88 HD21 LEU 13 HD21 LEU 13 9.491 -1.397 1.515 89 HD22 LEU 13 HD22 LEU 13 8.949 -2.890 0.748 90 HD23 LEU 13 HD23 LEU 13 8.832 -2.705 2.498 91 H TYR 14 HN TYR 14 5.432 0.477 4.953 92 HA TYR 14 HA TYR 14 4.281 -2.059 5.665 93 HB2 TYR 14 HB2 TYR 14 4.559 -1.268 7.783 94 HB3 TYR 14 HB1 TYR 14 5.211 0.194 7.055 95 HD1 TYR 14 HD1 TYR 14 4.124 2.236 7.407 96 HD2 TYR 14 HD2 TYR 14 1.976 -1.405 8.019 97 HE1 TYR 14 HE1 TYR 14 2.223 3.531 8.344 98 HE2 TYR 14 HE2 TYR 14 0.069 -0.133 8.959 99 HH TYR 14 HH TYR 14 0.080 2.558 10.184 100 H GLN 15 HN GLN 15 2.888 1.002 4.629 101 HA GLN 15 HA GLN 15 0.156 0.150 5.161 102 HB2 GLN 15 HB2 GLN 15 1.099 2.379 3.323 103 HB3 GLN 15 HB1 GLN 15 -0.489 2.202 4.056 104 HG2 GLN 15 HG2 GLN 15 0.463 2.505 6.283 105 HG3 GLN 15 HG1 GLN 15 2.085 2.594 5.593 106 HE21 GLN 15 HE21 GLN 15 0.044 4.021 3.383 107 HE22 GLN 15 HE22 GLN 15 0.202 5.637 3.866 108 H LEU 16 HN LEU 16 2.459 -0.019 2.536 109 HA LEU 16 HA LEU 16 0.504 -0.748 0.522 110 HB2 LEU 16 HB2 LEU 16 3.006 0.262 0.392 111 HB3 LEU 16 HB1 LEU 16 3.413 -1.436 0.236 112 HG LEU 16 HG LEU 16 1.866 -1.625 -1.675 113 HD11 LEU 16 HD11 LEU 16 0.194 -0.107 -1.687 114 HD12 LEU 16 HD12 LEU 16 1.329 0.923 -2.542 115 HD13 LEU 16 HD13 LEU 16 1.121 1.097 -0.799 116 HD21 LEU 16 HD21 LEU 16 3.586 -1.076 -3.003 117 HD22 LEU 16 HD22 LEU 16 4.372 -0.312 -1.622 118 HD23 LEU 16 HD23 LEU 16 3.367 0.640 -2.704 119 H GLU 17 HN GLU 17 2.987 -2.493 2.386 120 HA GLU 17 HA GLU 17 2.351 -5.097 1.377 121 HB2 GLU 17 HB2 GLU 17 3.379 -4.359 4.143 122 HB3 GLU 17 HB1 GLU 17 3.501 -5.945 3.384 123 HG2 GLU 17 HG2 GLU 17 5.140 -5.256 1.877 124 HG3 GLU 17 HG1 GLU 17 4.652 -3.563 1.950 125 H ASN 18 HN ASN 18 0.865 -2.978 3.622 126 HA ASN 18 HA ASN 18 -0.653 -4.813 5.188 127 HB2 ASN 18 HB2 ASN 18 -0.549 -1.934 4.663 128 HB3 ASN 18 HB1 ASN 18 -2.168 -2.456 5.019 129 HD21 ASN 18 HD21 ASN 18 0.001 -0.921 6.615 130 HD22 ASN 18 HD22 ASN 18 -0.033 -1.725 8.099 131 H TYR 19 HN TYR 19 -1.301 -3.386 1.977 132 HA TYR 19 HA TYR 19 -4.003 -4.583 1.914 133 HB2 TYR 19 HB2 TYR 19 -2.371 -3.151 -0.204 134 HB3 TYR 19 HB1 TYR 19 -4.015 -3.741 -0.449 135 HD1 TYR 19 HD1 TYR 19 -5.903 -2.802 0.918 136 HD2 TYR 19 HD2 TYR 19 -1.937 -1.181 1.052 137 HE1 TYR 19 HE1 TYR 19 -6.788 -0.732 1.970 138 HE2 TYR 19 HE2 TYR 19 -2.811 0.887 2.111 139 HH TYR 19 HH TYR 19 -6.223 1.169 3.036 140 H CYS 20 HN CYS 20 -0.926 -5.771 1.584 141 HA CYS 20 HA CYS 20 -1.657 -7.750 -0.515 142 HB2 CYS 20 HB2 CYS 20 0.467 -6.755 -0.924 143 HB3 CYS 20 HB1 CYS 20 0.972 -6.987 0.751 144 H ASN 21 HN ASN 21 -1.656 -9.958 -0.078 145 HA ASN 21 HA ASN 21 -2.495 -10.812 2.481 146 HB2 ASN 21 HB2 ASN 21 -1.113 -12.607 0.483 147 HB3 ASN 21 HB1 ASN 21 -2.428 -12.997 1.584 148 HD21 ASN 21 HD21 ASN 21 -3.060 -13.685 -0.928 149 HD22 ASN 21 HD22 ASN 21 -4.076 -12.550 -1.676 150 H1 PHE 22 HT1 PHE 22 12.521 1.229 0.590 151 H2 PHE 22 HT2 PHE 22 11.059 1.205 1.456 152 H3 PHE 22 HT3 PHE 22 11.993 2.623 1.400 153 HA PHE 22 HA PHE 22 11.526 1.942 -1.233 154 HB2 PHE 22 HB2 PHE 22 9.667 0.547 0.048 155 HB3 PHE 22 HB1 PHE 22 8.863 2.108 0.172 156 HD1 PHE 22 HD1 PHE 22 7.981 3.234 -1.808 157 HD2 PHE 22 HD2 PHE 22 10.104 -0.487 -2.140 158 HE1 PHE 22 HE1 PHE 22 7.182 2.984 -4.144 159 HE2 PHE 22 HE2 PHE 22 9.310 -0.731 -4.476 160 HZ PHE 22 HZ PHE 22 7.849 1.004 -5.478 161 H VAL 23 HN VAL 23 11.693 3.963 -2.074 162 HA VAL 23 HA VAL 23 11.788 6.344 -0.633 163 HB VAL 23 HB VAL 23 12.437 6.069 -3.040 164 HG11 VAL 23 HG11 VAL 23 10.782 6.091 -4.759 165 HG12 VAL 23 HG12 VAL 23 9.499 6.500 -3.621 166 HG13 VAL 23 HG13 VAL 23 10.224 4.893 -3.592 167 HG21 VAL 23 HG21 VAL 23 10.457 8.329 -2.639 168 HG22 VAL 23 HG22 VAL 23 11.903 8.335 -3.648 169 HG23 VAL 23 HG23 VAL 23 12.055 8.311 -1.892 170 H ASN 24 HN ASN 24 10.244 8.138 -0.492 171 HA ASN 24 HA ASN 24 7.424 7.174 -0.180 172 HB2 ASN 24 HB2 ASN 24 7.664 9.719 1.033 173 HB3 ASN 24 HB1 ASN 24 7.598 8.170 1.863 174 HD21 ASN 24 HD21 ASN 24 9.568 7.336 2.761 175 HD22 ASN 24 HD22 ASN 24 11.023 8.208 2.746 176 H GLN 25 HN GLN 25 6.828 7.486 -2.374 177 HA GLN 25 HA GLN 25 6.654 10.324 -3.250 178 HB2 GLN 25 HB2 GLN 25 6.772 9.423 -5.557 179 HB3 GLN 25 HB1 GLN 25 8.263 9.193 -4.658 180 HG2 GLN 25 HG2 GLN 25 7.224 6.874 -4.044 181 HG3 GLN 25 HG1 GLN 25 6.168 7.171 -5.417 182 HE21 GLN 25 HE21 GLN 25 8.224 8.689 -6.898 183 HE22 GLN 25 HE22 GLN 25 9.321 7.535 -7.460 184 H HIS 26 HN HIS 26 4.721 10.887 -4.397 185 HA HIS 26 HA HIS 26 2.372 9.426 -3.525 186 HB2 HIS 26 HB2 HIS 26 2.525 11.636 -5.591 187 HB3 HIS 26 HB1 HIS 26 1.116 11.149 -4.660 188 HD1 HIS 26 HD1 HIS 26 0.661 12.647 -2.736 189 HD2 HIS 26 HD2 HIS 26 4.735 12.489 -3.610 190 HE1 HIS 26 HE1 HIS 26 1.808 14.216 -1.108 191 HE2 HIS 26 HE2 HIS 26 4.283 14.145 -1.648 192 H LEU 27 HN LEU 27 1.890 7.488 -4.542 193 HA LEU 27 HA LEU 27 2.482 7.162 -7.419 194 HB2 LEU 27 HB2 LEU 27 1.159 5.182 -5.564 195 HB3 LEU 27 HB1 LEU 27 1.970 4.857 -7.082 196 HG LEU 27 HG LEU 27 3.439 6.059 -4.728 197 HD11 LEU 27 HD11 LEU 27 3.248 3.135 -5.474 198 HD12 LEU 27 HD12 LEU 27 2.435 3.873 -4.094 199 HD13 LEU 27 HD13 LEU 27 4.196 3.825 -4.158 200 HD21 LEU 27 HD21 LEU 27 4.267 4.607 -7.257 201 HD22 LEU 27 HD22 LEU 27 5.376 5.032 -5.956 202 HD23 LEU 27 HD23 LEU 27 4.559 6.301 -6.865 203 H CYS 28 HN CYS 28 0.851 6.665 -8.929 204 HA CYS 28 HA CYS 28 -1.973 6.748 -8.158 205 HB2 CYS 28 HB2 CYS 28 -0.801 8.898 -9.953 206 HB3 CYS 28 HB1 CYS 28 -2.509 8.668 -9.603 207 H GLY 29 HN GLY 29 -3.228 6.840 -10.500 208 HA2 GLY 29 HA2 GLY 29 -3.646 5.503 -12.398 209 HA3 GLY 29 HA1 GLY 29 -1.980 5.887 -12.829 210 H SER 30 HN SER 30 -1.438 3.817 -13.581 211 HA SER 30 HA SER 30 -1.961 1.450 -11.957 212 HB2 SER 30 HB2 SER 30 0.033 1.557 -14.216 213 HB3 SER 30 HB1 SER 30 -0.982 0.212 -13.696 214 HG SER 30 HG SER 30 -2.504 2.333 -14.320 215 H ASP 31 HN ASP 31 0.502 3.860 -12.047 216 HA ASP 31 HA ASP 31 2.836 2.530 -11.271 217 HB2 ASP 31 HB2 ASP 31 1.813 5.053 -9.926 218 HB3 ASP 31 HB1 ASP 31 3.491 4.553 -10.111 219 H LEU 32 HN LEU 32 0.355 3.781 -9.044 220 HA LEU 32 HA LEU 32 1.268 2.688 -6.642 221 HB2 LEU 32 HB2 LEU 32 -0.634 4.164 -6.682 222 HB3 LEU 32 HB1 LEU 32 -1.540 3.064 -7.713 223 HG LEU 32 HG LEU 32 -1.706 1.434 -5.924 224 HD11 LEU 32 HD11 LEU 32 0.371 1.586 -4.784 225 HD12 LEU 32 HD12 LEU 32 -0.805 2.192 -3.620 226 HD13 LEU 32 HD13 LEU 32 0.197 3.321 -4.526 227 HD21 LEU 32 HD21 LEU 32 -3.025 2.747 -4.332 228 HD22 LEU 32 HD22 LEU 32 -3.321 3.309 -5.976 229 HD23 LEU 32 HD23 LEU 32 -2.269 4.228 -4.907 230 H VAL 33 HN VAL 33 -1.022 1.118 -8.929 231 HA VAL 33 HA VAL 33 -1.181 -1.375 -7.602 232 HB VAL 33 HB VAL 33 -1.256 -0.724 -10.562 233 HG11 VAL 33 HG11 VAL 33 -1.647 -3.328 -9.080 234 HG12 VAL 33 HG12 VAL 33 -0.683 -3.022 -10.525 235 HG13 VAL 33 HG13 VAL 33 -2.443 -3.035 -10.627 236 HG21 VAL 33 HG21 VAL 33 -3.456 -1.461 -8.623 237 HG22 VAL 33 HG22 VAL 33 -3.647 -0.910 -10.288 238 HG23 VAL 33 HG23 VAL 33 -3.038 0.197 -9.057 239 H GLU 34 HN GLU 34 1.086 -0.263 -10.094 240 HA GLU 34 HA GLU 34 2.532 -2.578 -10.472 241 HB2 GLU 34 HB2 GLU 34 3.688 -1.146 -11.793 242 HB3 GLU 34 HB1 GLU 34 2.801 0.178 -11.058 243 HG2 GLU 34 HG2 GLU 34 5.150 0.630 -10.864 244 HG3 GLU 34 HG1 GLU 34 4.513 0.277 -9.268 245 H ALA 35 HN ALA 35 2.803 -0.231 -7.883 246 HA ALA 35 HA ALA 35 5.041 -1.403 -6.575 247 HB1 ALA 35 HB1 ALA 35 3.800 0.874 -6.180 248 HB2 ALA 35 HB2 ALA 35 4.548 0.057 -4.809 249 HB3 ALA 35 HB3 ALA 35 2.807 -0.065 -5.066 250 H LEU 36 HN LEU 36 1.556 -1.756 -5.710 251 HA LEU 36 HA LEU 36 1.945 -3.859 -3.880 252 HB2 LEU 36 HB2 LEU 36 -0.329 -3.465 -5.845 253 HB3 LEU 36 HB1 LEU 36 -0.371 -4.609 -4.506 254 HG LEU 36 HG LEU 36 0.249 -1.700 -3.979 255 HD11 LEU 36 HD11 LEU 36 -2.507 -2.941 -4.132 256 HD12 LEU 36 HD12 LEU 36 -1.854 -1.794 -5.300 257 HD13 LEU 36 HD13 LEU 36 -2.136 -1.294 -3.633 258 HD21 LEU 36 HD21 LEU 36 -0.702 -2.239 -1.793 259 HD22 LEU 36 HD22 LEU 36 0.531 -3.431 -2.184 260 HD23 LEU 36 HD23 LEU 36 -1.170 -3.836 -2.361 261 H TYR 37 HN TYR 37 1.600 -3.959 -7.407 262 HA TYR 37 HA TYR 37 1.720 -6.795 -7.681 263 HB2 TYR 37 HB2 TYR 37 1.130 -5.110 -9.483 264 HB3 TYR 37 HB1 TYR 37 2.839 -4.734 -9.609 265 HD1 TYR 37 HD1 TYR 37 0.270 -7.331 -10.111 266 HD2 TYR 37 HD2 TYR 37 4.415 -6.314 -10.586 267 HE1 TYR 37 HE1 TYR 37 0.583 -9.300 -11.586 268 HE2 TYR 37 HE2 TYR 37 4.729 -8.283 -12.062 269 HH TYR 37 HH TYR 37 3.660 -10.456 -12.477 270 H LEU 38 HN LEU 38 4.055 -4.354 -6.953 271 HA LEU 38 HA LEU 38 6.396 -6.066 -7.441 272 HB2 LEU 38 HB2 LEU 38 6.169 -3.460 -7.647 273 HB3 LEU 38 HB1 LEU 38 6.350 -3.471 -5.905 274 HG LEU 38 HG LEU 38 8.457 -4.968 -6.399 275 HD11 LEU 38 HD11 LEU 38 8.072 -3.443 -8.995 276 HD12 LEU 38 HD12 LEU 38 8.039 -5.196 -8.817 277 HD13 LEU 38 HD13 LEU 38 9.535 -4.310 -8.534 278 HD21 LEU 38 HD21 LEU 38 9.787 -2.844 -6.635 279 HD22 LEU 38 HD22 LEU 38 8.569 -2.776 -5.360 280 HD23 LEU 38 HD23 LEU 38 8.270 -1.984 -6.907 281 H VAL 39 HN VAL 39 5.139 -4.317 -4.615 282 HA VAL 39 HA VAL 39 6.518 -5.629 -2.576 283 HB VAL 39 HB VAL 39 3.648 -4.622 -2.470 284 HG11 VAL 39 HG11 VAL 39 5.738 -4.631 -0.290 285 HG12 VAL 39 HG12 VAL 39 4.563 -5.932 -0.483 286 HG13 VAL 39 HG13 VAL 39 4.015 -4.293 -0.146 287 HG21 VAL 39 HG21 VAL 39 6.297 -3.192 -2.281 288 HG22 VAL 39 HG22 VAL 39 4.791 -2.517 -1.674 289 HG23 VAL 39 HG23 VAL 39 4.967 -2.871 -3.392 290 H CYS 40 HN CYS 40 3.211 -6.363 -3.680 291 HA CYS 40 HA CYS 40 3.090 -8.800 -2.135 292 HB2 CYS 40 HB2 CYS 40 1.220 -7.163 -3.098 293 HB3 CYS 40 HB1 CYS 40 1.231 -8.311 -4.431 294 H GLY 41 HN GLY 41 3.971 -8.074 -5.474 295 HA2 GLY 41 HA2 GLY 41 4.670 -9.532 -7.196 296 HA3 GLY 41 HA1 GLY 41 5.434 -10.423 -5.882 297 H GLU 42 HN GLU 42 4.779 -12.504 -5.730 298 HA GLU 42 HA GLU 42 2.365 -13.391 -7.135 299 HB2 GLU 42 HB2 GLU 42 4.218 -15.040 -5.424 300 HB3 GLU 42 HB1 GLU 42 3.123 -15.618 -6.677 301 HG2 GLU 42 HG2 GLU 42 4.426 -14.215 -8.331 302 HG3 GLU 42 HG1 GLU 42 5.604 -13.922 -7.051 303 H ARG 43 HN ARG 43 3.108 -12.422 -3.931 304 HA ARG 43 HA ARG 43 1.405 -14.103 -2.416 305 HB2 ARG 43 HB2 ARG 43 2.220 -11.226 -2.052 306 HB3 ARG 43 HB1 ARG 43 1.153 -12.023 -0.906 307 HG2 ARG 43 HG2 ARG 43 2.870 -13.773 -0.559 308 HG3 ARG 43 HG1 ARG 43 3.941 -12.923 -1.675 309 HD2 ARG 43 HD2 ARG 43 3.457 -10.853 -0.075 310 HD3 ARG 43 HD1 ARG 43 3.073 -12.128 1.088 311 HE ARG 43 HE ARG 43 5.567 -12.753 -0.141 312 HH11 ARG 43 HH11 ARG 43 7.469 -12.316 1.001 313 HH12 ARG 43 HH12 ARG 43 7.437 -11.174 2.304 314 HH21 ARG 43 HH21 ARG 43 4.059 -10.477 1.963 315 HH22 ARG 43 HH22 ARG 43 5.508 -10.132 2.846 316 H GLY 44 HN GLY 44 0.630 -11.580 -4.654 317 HA2 GLY 44 HA2 GLY 44 -1.485 -11.062 -5.585 318 HA3 GLY 44 HA1 GLY 44 -2.202 -12.274 -4.523 319 H TYR 45 HN TYR 45 -2.470 -9.136 -5.157 320 HA TYR 45 HA TYR 45 -2.917 -8.352 -2.299 321 HB2 TYR 45 HB2 TYR 45 -2.485 -6.021 -3.019 322 HB3 TYR 45 HB1 TYR 45 -1.090 -7.029 -3.315 323 HD1 TYR 45 HD1 TYR 45 -3.553 -4.882 -4.818 324 HD2 TYR 45 HD2 TYR 45 -0.778 -8.044 -5.604 325 HE1 TYR 45 HE1 TYR 45 -3.613 -4.326 -7.228 326 HE2 TYR 45 HE2 TYR 45 -0.836 -7.506 -8.026 327 HH TYR 45 HH TYR 45 -2.973 -4.947 -9.277 328 H PHE 46 HN PHE 46 -4.518 -6.384 -2.320 329 HA PHE 46 HA PHE 46 -6.780 -6.995 -4.202 330 HB2 PHE 46 HB2 PHE 46 -7.200 -6.049 -1.371 331 HB3 PHE 46 HB1 PHE 46 -8.330 -6.873 -2.441 332 HD1 PHE 46 HD1 PHE 46 -6.527 -7.393 0.428 333 HD2 PHE 46 HD2 PHE 46 -7.127 -9.194 -3.426 334 HE1 PHE 46 HE1 PHE 46 -5.828 -9.589 1.344 335 HE2 PHE 46 HE2 PHE 46 -6.429 -11.389 -2.509 336 HZ PHE 46 HZ PHE 46 -5.779 -11.586 -0.124 337 H TYR 47 HN TYR 47 -7.196 -5.249 -5.416 338 HA TYR 47 HA TYR 47 -6.826 -2.518 -4.225 339 HB2 TYR 47 HB2 TYR 47 -4.993 -3.058 -5.816 340 HB3 TYR 47 HB1 TYR 47 -6.195 -3.365 -7.069 341 HD1 TYR 47 HD1 TYR 47 -4.716 -0.765 -4.874 342 HD2 TYR 47 HD2 TYR 47 -7.344 -1.568 -8.179 343 HE1 TYR 47 HE1 TYR 47 -4.804 1.647 -5.392 344 HE2 TYR 47 HE2 TYR 47 -7.425 0.855 -8.701 345 HH TYR 47 HH TYR 47 -6.856 2.898 -8.022 346 H THR 48 HN THR 48 -8.912 -1.870 -3.972 347 HA THR 48 HA THR 48 -10.567 -1.036 -6.056 348 HB THR 48 HB THR 48 -11.014 -3.240 -6.845 349 HG1 THR 48 HG1 THR 48 -13.035 -2.809 -6.775 350 HG21 THR 48 HG21 THR 48 -10.974 -3.955 -3.924 351 HG22 THR 48 HG22 THR 48 -10.140 -4.729 -5.271 352 HG23 THR 48 HG23 THR 48 -11.871 -4.968 -5.054 353 H LYS 49 HN LYS 49 -12.670 -2.761 -4.121 354 HA LYS 49 HA LYS 49 -14.183 -1.955 -2.506 355 HB2 LYS 49 HB2 LYS 49 -12.090 -2.896 -1.314 356 HB3 LYS 49 HB1 LYS 49 -11.677 -1.211 -1.004 357 HG2 LYS 49 HG2 LYS 49 -13.886 -0.877 0.064 358 HG3 LYS 49 HG1 LYS 49 -14.265 -2.575 -0.208 359 HD2 LYS 49 HD2 LYS 49 -11.764 -1.786 1.292 360 HD3 LYS 49 HD1 LYS 49 -13.317 -1.859 2.122 361 HE2 LYS 49 HE2 LYS 49 -13.580 -4.220 1.276 362 HE3 LYS 49 HE1 LYS 49 -11.932 -4.124 0.656 363 HZ1 LYS 49 HZ1 LYS 49 -12.521 -4.983 3.090 364 HZ2 LYS 49 HZ2 LYS 49 -12.313 -3.330 3.425 365 HZ3 LYS 49 HZ3 LYS 49 -11.054 -4.221 2.710 366 HA PRO 50 HA PRO 50 -13.218 2.487 -4.232 367 HB2 PRO 50 HB2 PRO 50 -16.186 2.235 -4.276 368 HB3 PRO 50 HB1 PRO 50 -15.085 2.802 -5.543 369 HG2 PRO 50 HG2 PRO 50 -16.243 0.187 -5.234 370 HG3 PRO 50 HG1 PRO 50 -15.168 0.762 -6.519 371 HD2 PRO 50 HD2 PRO 50 -14.460 -1.162 -4.665 372 HD3 PRO 50 HD1 PRO 50 -13.291 -0.130 -5.517 373 H THR 51 HN THR 51 -12.551 3.145 -2.083 374 HA THR 51 HA THR 51 -14.562 3.389 0.041 375 HB THR 51 HB THR 51 -12.688 4.483 1.293 376 HG1 THR 51 HG1 THR 51 -10.766 3.789 -0.458 377 HG21 THR 51 HG21 THR 51 -11.769 1.943 -0.065 378 HG22 THR 51 HG22 THR 51 -13.050 1.966 1.147 379 HG23 THR 51 HG23 THR 51 -11.419 2.478 1.579 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 -9.145 5.755 1.000 2 H2 GLY 1 HT2 GLY 1 -9.565 4.775 2.322 3 H3 GLY 1 HT3 GLY 1 -10.535 4.785 0.928 4 HA2 GLY 1 HA2 GLY 1 -9.109 2.713 1.200 5 HA3 GLY 1 HA1 GLY 1 -8.788 3.681 -0.268 6 H ILE 2 HN ILE 2 -6.992 1.972 0.114 7 HA ILE 2 HA ILE 2 -4.614 3.310 0.771 8 HB ILE 2 HB ILE 2 -4.719 0.915 0.171 9 HG12 ILE 2 HG12 ILE 2 -2.904 2.427 -1.720 10 HG13 ILE 2 HG11 ILE 2 -2.594 2.279 0.003 11 HG21 ILE 2 HG21 ILE 2 -5.058 1.906 -2.670 12 HG22 ILE 2 HG22 ILE 2 -6.333 1.174 -1.709 13 HG23 ILE 2 HG23 ILE 2 -4.917 0.229 -2.165 14 HD11 ILE 2 HD11 ILE 2 -1.538 0.348 -0.430 15 HD12 ILE 2 HD12 ILE 2 -2.049 0.377 -2.111 16 HD13 ILE 2 HD13 ILE 2 -3.081 -0.366 -0.891 17 H VAL 3 HN VAL 3 -6.534 3.480 -2.170 18 HA VAL 3 HA VAL 3 -4.816 4.828 -3.907 19 HB VAL 3 HB VAL 3 -7.711 5.600 -3.504 20 HG11 VAL 3 HG11 VAL 3 -5.990 5.289 -5.971 21 HG12 VAL 3 HG12 VAL 3 -6.340 6.822 -5.173 22 HG13 VAL 3 HG13 VAL 3 -7.644 5.897 -5.917 23 HG21 VAL 3 HG21 VAL 3 -7.761 3.215 -3.448 24 HG22 VAL 3 HG22 VAL 3 -6.520 3.089 -4.693 25 HG23 VAL 3 HG23 VAL 3 -8.134 3.656 -5.114 26 H GLU 4 HN GLU 4 -6.799 6.192 -1.302 27 HA GLU 4 HA GLU 4 -6.070 8.903 -1.860 28 HB2 GLU 4 HB2 GLU 4 -6.946 7.645 0.748 29 HB3 GLU 4 HB1 GLU 4 -6.926 9.376 0.404 30 HG2 GLU 4 HG2 GLU 4 -8.431 7.443 -1.372 31 HG3 GLU 4 HG1 GLU 4 -9.168 8.125 0.077 32 H GLN 5 HN GLN 5 -4.933 6.795 0.776 33 HA GLN 5 HA GLN 5 -2.922 8.426 1.801 34 HB2 GLN 5 HB2 GLN 5 -2.722 5.430 1.431 35 HB3 GLN 5 HB1 GLN 5 -1.848 6.388 2.614 36 HG2 GLN 5 HG2 GLN 5 -4.871 6.353 2.518 37 HG3 GLN 5 HG1 GLN 5 -3.954 5.157 3.427 38 HE21 GLN 5 HE21 GLN 5 -2.140 7.962 3.415 39 HE22 GLN 5 HE22 GLN 5 -2.653 8.617 4.886 40 H CYS 6 HN CYS 6 -2.515 6.024 -0.833 41 HA CYS 6 HA CYS 6 0.228 6.866 -1.284 42 HB2 CYS 6 HB2 CYS 6 -1.441 5.162 -3.110 43 HB3 CYS 6 HB1 CYS 6 0.295 5.122 -2.861 44 H CYS 7 HN CYS 7 -2.883 7.613 -2.830 45 HA CYS 7 HA CYS 7 -1.458 9.008 -5.032 46 HB2 CYS 7 HB2 CYS 7 -3.610 7.608 -5.321 47 HB3 CYS 7 HB1 CYS 7 -4.446 8.976 -4.612 48 H THR 8 HN THR 8 -4.052 9.919 -2.728 49 HA THR 8 HA THR 8 -3.833 12.707 -3.091 50 HB THR 8 HB THR 8 -4.354 11.394 -0.411 51 HG1 THR 8 HG1 THR 8 -6.621 11.684 -1.578 52 HG21 THR 8 HG21 THR 8 -4.272 13.838 -0.507 53 HG22 THR 8 HG22 THR 8 -5.912 13.271 -0.183 54 HG23 THR 8 HG23 THR 8 -5.473 13.832 -1.798 55 H SER 9 HN SER 9 -1.714 10.456 -1.662 56 HA SER 9 HA SER 9 0.194 12.577 -0.962 57 HB2 SER 9 HB2 SER 9 -0.733 10.623 1.149 58 HB3 SER 9 HB1 SER 9 0.290 12.035 1.365 59 HG SER 9 HG SER 9 -1.423 13.241 1.458 60 H ILE 10 HN ILE 10 1.629 10.614 0.794 61 HA ILE 10 HA ILE 10 2.482 8.629 -1.293 62 HB ILE 10 HB ILE 10 4.207 10.079 0.737 63 HG12 ILE 10 HG12 ILE 10 4.239 10.332 -2.272 64 HG13 ILE 10 HG11 ILE 10 3.299 11.400 -1.246 65 HG21 ILE 10 HG21 ILE 10 4.870 8.131 -1.496 66 HG22 ILE 10 HG22 ILE 10 5.041 7.828 0.233 67 HG23 ILE 10 HG23 ILE 10 6.064 9.027 -0.558 68 HD11 ILE 10 HD11 ILE 10 5.637 12.216 -1.860 69 HD12 ILE 10 HD12 ILE 10 6.245 10.939 -0.807 70 HD13 ILE 10 HD13 ILE 10 5.236 12.225 -0.143 71 H CYS 11 HN CYS 11 2.657 6.539 -0.594 72 HA CYS 11 HA CYS 11 1.831 5.981 2.216 73 HB2 CYS 11 HB2 CYS 11 1.917 4.310 -0.302 74 HB3 CYS 11 HB1 CYS 11 1.630 3.601 1.286 75 H SER 12 HN SER 12 2.879 3.985 3.182 76 HA SER 12 HA SER 12 5.834 3.956 2.647 77 HB2 SER 12 HB2 SER 12 4.329 3.620 5.256 78 HB3 SER 12 HB1 SER 12 6.058 3.350 5.066 79 HG SER 12 HG SER 12 5.057 5.749 4.094 80 H LEU 13 HN LEU 13 6.798 1.895 2.606 81 HA LEU 13 HA LEU 13 5.464 -0.249 1.526 82 HB2 LEU 13 HB2 LEU 13 8.027 0.214 2.330 83 HB3 LEU 13 HB1 LEU 13 7.562 -0.969 3.540 84 HG LEU 13 HG LEU 13 6.826 -2.498 1.703 85 HD11 LEU 13 HD11 LEU 13 8.085 -1.678 -0.574 86 HD12 LEU 13 HD12 LEU 13 7.564 -0.120 0.063 87 HD13 LEU 13 HD13 LEU 13 6.380 -1.387 -0.252 88 HD21 LEU 13 HD21 LEU 13 9.028 -2.778 2.680 89 HD22 LEU 13 HD22 LEU 13 9.688 -1.494 1.666 90 HD23 LEU 13 HD23 LEU 13 9.168 -3.014 0.937 91 H TYR 14 HN TYR 14 5.594 0.599 4.965 92 HA TYR 14 HA TYR 14 4.495 -1.894 5.889 93 HB2 TYR 14 HB2 TYR 14 4.789 -0.930 7.932 94 HB3 TYR 14 HB1 TYR 14 5.389 0.490 7.087 95 HD1 TYR 14 HD1 TYR 14 4.247 2.516 7.305 96 HD2 TYR 14 HD2 TYR 14 2.211 -1.125 8.203 97 HE1 TYR 14 HE1 TYR 14 2.314 3.825 8.152 98 HE2 TYR 14 HE2 TYR 14 0.271 0.158 9.054 99 HH TYR 14 HH TYR 14 -0.695 2.504 8.650 100 H GLN 15 HN GLN 15 3.022 1.080 4.673 101 HA GLN 15 HA GLN 15 0.322 0.214 5.294 102 HB2 GLN 15 HB2 GLN 15 1.177 2.292 3.250 103 HB3 GLN 15 HB1 GLN 15 -0.390 2.147 4.037 104 HG2 GLN 15 HG2 GLN 15 0.576 2.697 6.192 105 HG3 GLN 15 HG1 GLN 15 2.197 2.696 5.498 106 HE21 GLN 15 HE21 GLN 15 0.264 3.927 3.114 107 HE22 GLN 15 HE22 GLN 15 0.405 5.581 3.455 108 H LEU 16 HN LEU 16 2.500 0.099 2.524 109 HA LEU 16 HA LEU 16 0.567 -0.898 0.649 110 HB2 LEU 16 HB2 LEU 16 3.036 0.151 0.413 111 HB3 LEU 16 HB1 LEU 16 3.487 -1.541 0.385 112 HG LEU 16 HG LEU 16 1.976 -1.925 -1.507 113 HD11 LEU 16 HD11 LEU 16 0.219 -0.502 -1.624 114 HD12 LEU 16 HD12 LEU 16 1.299 0.508 -2.569 115 HD13 LEU 16 HD13 LEU 16 1.084 0.819 -0.846 116 HD21 LEU 16 HD21 LEU 16 4.417 -0.554 -1.550 117 HD22 LEU 16 HD22 LEU 16 3.387 0.376 -2.629 118 HD23 LEU 16 HD23 LEU 16 3.625 -1.340 -2.913 119 H GLU 17 HN GLU 17 3.134 -2.497 2.547 120 HA GLU 17 HA GLU 17 2.507 -5.157 1.697 121 HB2 GLU 17 HB2 GLU 17 3.623 -4.233 4.371 122 HB3 GLU 17 HB1 GLU 17 3.708 -5.877 3.738 123 HG2 GLU 17 HG2 GLU 17 5.255 -5.306 2.078 124 HG3 GLU 17 HG1 GLU 17 4.804 -3.601 2.102 125 H ASN 18 HN ASN 18 1.037 -2.968 3.891 126 HA ASN 18 HA ASN 18 -0.410 -4.814 5.540 127 HB2 ASN 18 HB2 ASN 18 -0.270 -1.943 5.074 128 HB3 ASN 18 HB1 ASN 18 -1.911 -2.420 5.393 129 HD21 ASN 18 HD21 ASN 18 0.264 -0.967 7.040 130 HD22 ASN 18 HD22 ASN 18 0.186 -1.791 8.514 131 H TYR 19 HN TYR 19 -1.124 -3.430 2.335 132 HA TYR 19 HA TYR 19 -3.860 -4.568 2.373 133 HB2 TYR 19 HB2 TYR 19 -2.298 -3.196 0.167 134 HB3 TYR 19 HB1 TYR 19 -3.981 -3.705 0.044 135 HD1 TYR 19 HD1 TYR 19 -5.698 -2.710 1.634 136 HD2 TYR 19 HD2 TYR 19 -1.702 -1.204 1.273 137 HE1 TYR 19 HE1 TYR 19 -6.398 -0.599 2.743 138 HE2 TYR 19 HE2 TYR 19 -2.388 0.905 2.396 139 HH TYR 19 HH TYR 19 -5.141 1.237 4.144 140 H CYS 20 HN CYS 20 -0.804 -5.785 1.916 141 HA CYS 20 HA CYS 20 -1.647 -7.757 -0.139 142 HB2 CYS 20 HB2 CYS 20 0.504 -6.852 -0.609 143 HB3 CYS 20 HB1 CYS 20 1.032 -7.066 1.062 144 H ASN 21 HN ASN 21 -1.716 -9.962 0.326 145 HA ASN 21 HA ASN 21 -2.492 -10.742 2.939 146 HB2 ASN 21 HB2 ASN 21 -1.343 -12.593 0.845 147 HB3 ASN 21 HB1 ASN 21 -2.565 -12.947 2.059 148 HD21 ASN 21 HD21 ASN 21 -3.525 -13.614 -0.310 149 HD22 ASN 21 HD22 ASN 21 -4.530 -12.427 -0.990 150 H1 PHE 22 HT1 PHE 22 12.133 2.232 0.539 151 H2 PHE 22 HT2 PHE 22 13.021 1.377 -0.629 152 H3 PHE 22 HT3 PHE 22 11.779 0.602 0.234 153 HA PHE 22 HA PHE 22 11.377 1.449 -2.181 154 HB2 PHE 22 HB2 PHE 22 9.784 0.533 -0.242 155 HB3 PHE 22 HB1 PHE 22 9.218 2.200 -0.220 156 HD1 PHE 22 HD1 PHE 22 7.983 3.134 -2.111 157 HD2 PHE 22 HD2 PHE 22 9.525 -0.873 -2.240 158 HE1 PHE 22 HE1 PHE 22 6.598 2.667 -4.111 159 HE2 PHE 22 HE2 PHE 22 8.137 -1.341 -4.240 160 HZ PHE 22 HZ PHE 22 6.673 0.428 -5.176 161 H VAL 23 HN VAL 23 10.683 3.339 -3.323 162 HA VAL 23 HA VAL 23 11.757 5.825 -2.241 163 HB VAL 23 HB VAL 23 11.863 5.207 -4.676 164 HG11 VAL 23 HG11 VAL 23 9.906 5.294 -6.037 165 HG12 VAL 23 HG12 VAL 23 8.948 6.021 -4.747 166 HG13 VAL 23 HG13 VAL 23 9.438 4.331 -4.636 167 HG21 VAL 23 HG21 VAL 23 11.440 7.470 -5.447 168 HG22 VAL 23 HG22 VAL 23 12.047 7.564 -3.794 169 HG23 VAL 23 HG23 VAL 23 10.324 7.761 -4.113 170 H ASN 24 HN ASN 24 10.528 7.763 -1.892 171 HA ASN 24 HA ASN 24 7.740 7.233 -0.989 172 HB2 ASN 24 HB2 ASN 24 9.036 9.857 -0.434 173 HB3 ASN 24 HB1 ASN 24 8.088 8.830 0.623 174 HD21 ASN 24 HD21 ASN 24 9.295 7.896 2.271 175 HD22 ASN 24 HD22 ASN 24 10.950 7.532 2.180 176 H GLN 25 HN GLN 25 6.668 7.379 -2.981 177 HA GLN 25 HA GLN 25 6.523 10.121 -4.154 178 HB2 GLN 25 HB2 GLN 25 8.012 8.641 -5.546 179 HB3 GLN 25 HB1 GLN 25 6.637 7.568 -5.794 180 HG2 GLN 25 HG2 GLN 25 5.397 9.679 -6.657 181 HG3 GLN 25 HG1 GLN 25 6.998 10.399 -6.753 182 HE21 GLN 25 HE21 GLN 25 8.352 7.888 -7.409 183 HE22 GLN 25 HE22 GLN 25 7.926 7.529 -9.002 184 H HIS 26 HN HIS 26 4.467 10.681 -4.937 185 HA HIS 26 HA HIS 26 2.241 9.246 -3.789 186 HB2 HIS 26 HB2 HIS 26 2.170 11.383 -5.940 187 HB3 HIS 26 HB1 HIS 26 0.861 10.928 -4.859 188 HD1 HIS 26 HD1 HIS 26 0.595 12.500 -2.956 189 HD2 HIS 26 HD2 HIS 26 4.571 12.284 -4.198 190 HE1 HIS 26 HE1 HIS 26 1.900 14.097 -1.481 191 HE2 HIS 26 HE2 HIS 26 4.314 13.991 -2.246 192 H LEU 27 HN LEU 27 1.707 7.267 -4.659 193 HA LEU 27 HA LEU 27 2.019 6.805 -7.561 194 HB2 LEU 27 HB2 LEU 27 0.952 4.871 -5.510 195 HB3 LEU 27 HB1 LEU 27 1.673 4.506 -7.063 196 HG LEU 27 HG LEU 27 3.262 5.912 -4.907 197 HD11 LEU 27 HD11 LEU 27 3.002 2.932 -5.368 198 HD12 LEU 27 HD12 LEU 27 2.430 3.809 -3.949 199 HD13 LEU 27 HD13 LEU 27 4.158 3.703 -4.283 200 HD21 LEU 27 HD21 LEU 27 4.164 5.961 -7.181 201 HD22 LEU 27 HD22 LEU 27 3.984 4.212 -7.307 202 HD23 LEU 27 HD23 LEU 27 5.141 4.901 -6.169 203 H CYS 28 HN CYS 28 0.274 6.188 -8.878 204 HA CYS 28 HA CYS 28 -2.468 6.190 -7.850 205 HB2 CYS 28 HB2 CYS 28 -1.621 8.277 -9.885 206 HB3 CYS 28 HB1 CYS 28 -3.235 8.039 -9.231 207 H GLY 29 HN GLY 29 -3.930 6.129 -10.081 208 HA2 GLY 29 HA2 GLY 29 -4.446 4.684 -11.876 209 HA3 GLY 29 HA1 GLY 29 -2.858 5.152 -12.479 210 H SER 30 HN SER 30 -2.181 3.136 -13.198 211 HA SER 30 HA SER 30 -2.446 0.764 -11.517 212 HB2 SER 30 HB2 SER 30 -0.611 0.964 -13.900 213 HB3 SER 30 HB1 SER 30 -1.497 -0.436 -13.296 214 HG SER 30 HG SER 30 -2.256 1.425 -15.077 215 H ASP 31 HN ASP 31 -0.134 3.317 -11.816 216 HA ASP 31 HA ASP 31 2.306 2.109 -11.146 217 HB2 ASP 31 HB2 ASP 31 1.266 4.633 -9.822 218 HB3 ASP 31 HB1 ASP 31 2.947 4.203 -10.129 219 H LEU 32 HN LEU 32 -0.073 3.373 -8.822 220 HA LEU 32 HA LEU 32 0.994 2.374 -6.436 221 HB2 LEU 32 HB2 LEU 32 -0.947 3.820 -6.454 222 HB3 LEU 32 HB1 LEU 32 -1.875 2.645 -7.378 223 HG LEU 32 HG LEU 32 -1.852 1.094 -5.486 224 HD11 LEU 32 HD11 LEU 32 -0.973 2.079 -3.269 225 HD12 LEU 32 HD12 LEU 32 -0.085 3.221 -4.268 226 HD13 LEU 32 HD13 LEU 32 0.231 1.493 -4.413 227 HD21 LEU 32 HD21 LEU 32 -3.264 2.400 -4.000 228 HD22 LEU 32 HD22 LEU 32 -3.589 2.866 -5.665 229 HD23 LEU 32 HD23 LEU 32 -2.606 3.898 -4.637 230 H VAL 33 HN VAL 33 -1.448 0.737 -8.494 231 HA VAL 33 HA VAL 33 -1.545 -1.731 -7.176 232 HB VAL 33 HB VAL 33 -1.702 -1.049 -10.119 233 HG11 VAL 33 HG11 VAL 33 -1.817 -3.740 -8.753 234 HG12 VAL 33 HG12 VAL 33 -0.985 -3.293 -10.241 235 HG13 VAL 33 HG13 VAL 33 -2.741 -3.451 -10.228 236 HG21 VAL 33 HG21 VAL 33 -3.513 -0.299 -8.605 237 HG22 VAL 33 HG22 VAL 33 -3.763 -1.971 -8.102 238 HG23 VAL 33 HG23 VAL 33 -4.079 -1.495 -9.771 239 H GLU 34 HN GLU 34 0.491 -0.972 -9.984 240 HA GLU 34 HA GLU 34 1.982 -3.230 -10.197 241 HB2 GLU 34 HB2 GLU 34 2.597 -0.339 -10.573 242 HB3 GLU 34 HB1 GLU 34 3.942 -1.463 -10.671 243 HG2 GLU 34 HG2 GLU 34 2.667 -2.770 -12.380 244 HG3 GLU 34 HG1 GLU 34 1.407 -1.537 -12.330 245 H ALA 35 HN ALA 35 2.493 -0.628 -7.838 246 HA ALA 35 HA ALA 35 4.834 -1.672 -6.622 247 HB1 ALA 35 HB1 ALA 35 2.621 -0.361 -5.043 248 HB2 ALA 35 HB2 ALA 35 3.580 0.570 -6.192 249 HB3 ALA 35 HB3 ALA 35 4.365 -0.215 -4.823 250 H LEU 36 HN LEU 36 1.441 -2.097 -5.501 251 HA LEU 36 HA LEU 36 1.961 -4.122 -3.624 252 HB2 LEU 36 HB2 LEU 36 -0.395 -3.803 -5.503 253 HB3 LEU 36 HB1 LEU 36 -0.368 -4.950 -4.165 254 HG LEU 36 HG LEU 36 0.233 -2.035 -3.647 255 HD11 LEU 36 HD11 LEU 36 -2.146 -1.652 -3.229 256 HD12 LEU 36 HD12 LEU 36 -2.518 -3.295 -3.731 257 HD13 LEU 36 HD13 LEU 36 -1.907 -2.134 -4.905 258 HD21 LEU 36 HD21 LEU 36 -1.075 -4.234 -2.020 259 HD22 LEU 36 HD22 LEU 36 -0.702 -2.615 -1.443 260 HD23 LEU 36 HD23 LEU 36 0.598 -3.723 -1.859 261 H TYR 37 HN TYR 37 1.256 -4.427 -7.098 262 HA TYR 37 HA TYR 37 1.493 -7.231 -7.324 263 HB2 TYR 37 HB2 TYR 37 0.865 -5.506 -9.138 264 HB3 TYR 37 HB1 TYR 37 2.589 -5.273 -9.354 265 HD1 TYR 37 HD1 TYR 37 -0.210 -7.602 -9.780 266 HD2 TYR 37 HD2 TYR 37 4.030 -7.070 -10.212 267 HE1 TYR 37 HE1 TYR 37 -0.100 -9.632 -11.199 268 HE2 TYR 37 HE2 TYR 37 4.142 -9.100 -11.632 269 HH TYR 37 HH TYR 37 2.984 -10.705 -12.635 270 H LEU 38 HN LEU 38 3.836 -4.744 -6.780 271 HA LEU 38 HA LEU 38 6.162 -6.454 -7.305 272 HB2 LEU 38 HB2 LEU 38 5.787 -3.795 -7.498 273 HB3 LEU 38 HB1 LEU 38 6.319 -3.843 -5.835 274 HG LEU 38 HG LEU 38 8.320 -5.219 -6.680 275 HD11 LEU 38 HD11 LEU 38 8.865 -4.569 -9.103 276 HD12 LEU 38 HD12 LEU 38 7.160 -4.166 -9.275 277 HD13 LEU 38 HD13 LEU 38 7.644 -5.817 -8.896 278 HD21 LEU 38 HD21 LEU 38 8.553 -2.930 -5.930 279 HD22 LEU 38 HD22 LEU 38 7.868 -2.319 -7.437 280 HD23 LEU 38 HD23 LEU 38 9.453 -3.093 -7.439 281 H VAL 39 HN VAL 39 5.027 -4.619 -4.469 282 HA VAL 39 HA VAL 39 6.533 -5.902 -2.480 283 HB VAL 39 HB VAL 39 3.685 -4.864 -2.222 284 HG11 VAL 39 HG11 VAL 39 4.725 -6.143 -0.272 285 HG12 VAL 39 HG12 VAL 39 4.174 -4.506 0.067 286 HG13 VAL 39 HG13 VAL 39 5.893 -4.826 -0.163 287 HG21 VAL 39 HG21 VAL 39 6.347 -3.444 -2.193 288 HG22 VAL 39 HG22 VAL 39 4.865 -2.747 -1.553 289 HG23 VAL 39 HG23 VAL 39 4.979 -3.151 -3.265 290 H CYS 40 HN CYS 40 3.157 -6.580 -3.367 291 HA CYS 40 HA CYS 40 3.024 -8.980 -1.800 292 HB2 CYS 40 HB2 CYS 40 1.174 -7.343 -2.832 293 HB3 CYS 40 HB1 CYS 40 1.165 -8.555 -4.107 294 H GLY 41 HN GLY 41 3.955 -8.359 -5.137 295 HA2 GLY 41 HA2 GLY 41 4.675 -9.862 -6.807 296 HA3 GLY 41 HA1 GLY 41 5.371 -10.753 -5.455 297 H GLU 42 HN GLU 42 4.732 -12.848 -5.523 298 HA GLU 42 HA GLU 42 2.231 -13.613 -6.844 299 HB2 GLU 42 HB2 GLU 42 4.134 -15.388 -5.321 300 HB3 GLU 42 HB1 GLU 42 2.971 -15.874 -6.551 301 HG2 GLU 42 HG2 GLU 42 4.211 -14.471 -8.209 302 HG3 GLU 42 HG1 GLU 42 5.422 -14.141 -6.971 303 H ARG 43 HN ARG 43 3.030 -12.656 -3.704 304 HA ARG 43 HA ARG 43 1.496 -14.440 -2.115 305 HB2 ARG 43 HB2 ARG 43 1.999 -11.486 -1.740 306 HB3 ARG 43 HB1 ARG 43 1.297 -12.526 -0.512 307 HG2 ARG 43 HG2 ARG 43 3.318 -13.900 -0.486 308 HG3 ARG 43 HG1 ARG 43 4.019 -12.925 -1.780 309 HD2 ARG 43 HD2 ARG 43 3.651 -10.903 -0.195 310 HD3 ARG 43 HD1 ARG 43 3.441 -12.117 1.071 311 HE ARG 43 HE ARG 43 5.862 -12.562 -0.463 312 HH11 ARG 43 HH11 ARG 43 7.806 -12.185 0.634 313 HH12 ARG 43 HH12 ARG 43 7.791 -11.262 2.099 314 HH21 ARG 43 HH21 ARG 43 4.362 -10.746 2.052 315 HH22 ARG 43 HH22 ARG 43 5.841 -10.449 2.903 316 H GLY 44 HN GLY 44 0.533 -11.722 -4.100 317 HA2 GLY 44 HA2 GLY 44 -1.644 -11.406 -5.046 318 HA3 GLY 44 HA1 GLY 44 -2.285 -12.603 -3.919 319 H TYR 45 HN TYR 45 -2.563 -9.451 -4.625 320 HA TYR 45 HA TYR 45 -2.936 -8.621 -1.771 321 HB2 TYR 45 HB2 TYR 45 -2.550 -6.301 -2.553 322 HB3 TYR 45 HB1 TYR 45 -1.157 -7.309 -2.873 323 HD1 TYR 45 HD1 TYR 45 -3.672 -5.192 -4.341 324 HD2 TYR 45 HD2 TYR 45 -0.924 -8.373 -5.153 325 HE1 TYR 45 HE1 TYR 45 -3.804 -4.680 -6.753 326 HE2 TYR 45 HE2 TYR 45 -1.058 -7.877 -7.582 327 HH TYR 45 HH TYR 45 -1.724 -6.310 -9.095 328 H PHE 46 HN PHE 46 -4.559 -6.652 -1.776 329 HA PHE 46 HA PHE 46 -6.883 -7.357 -3.545 330 HB2 PHE 46 HB2 PHE 46 -7.468 -8.199 -1.431 331 HB3 PHE 46 HB1 PHE 46 -6.763 -6.843 -0.581 332 HD1 PHE 46 HD1 PHE 46 -7.898 -4.727 -0.475 333 HD2 PHE 46 HD2 PHE 46 -9.679 -8.066 -2.466 334 HE1 PHE 46 HE1 PHE 46 -10.088 -3.549 -0.464 335 HE2 PHE 46 HE2 PHE 46 -11.875 -6.909 -2.460 336 HZ PHE 46 HZ PHE 46 -12.080 -4.648 -1.458 337 H TYR 47 HN TYR 47 -7.232 -5.696 -4.849 338 HA TYR 47 HA TYR 47 -7.051 -2.900 -3.760 339 HB2 TYR 47 HB2 TYR 47 -5.109 -3.423 -5.234 340 HB3 TYR 47 HB1 TYR 47 -6.234 -3.800 -6.540 341 HD1 TYR 47 HD1 TYR 47 -4.918 -1.127 -4.354 342 HD2 TYR 47 HD2 TYR 47 -7.450 -2.057 -7.701 343 HE1 TYR 47 HE1 TYR 47 -5.078 1.272 -4.906 344 HE2 TYR 47 HE2 TYR 47 -7.603 0.357 -8.253 345 HH TYR 47 HH TYR 47 -5.643 2.560 -7.408 346 H THR 48 HN THR 48 -9.222 -2.376 -3.663 347 HA THR 48 HA THR 48 -10.752 -2.382 -6.180 348 HB THR 48 HB THR 48 -12.531 -3.697 -5.449 349 HG1 THR 48 HG1 THR 48 -11.802 -2.670 -3.043 350 HG21 THR 48 HG21 THR 48 -10.526 -5.121 -5.692 351 HG22 THR 48 HG22 THR 48 -11.637 -5.756 -4.484 352 HG23 THR 48 HG23 THR 48 -10.181 -4.905 -3.976 353 H LYS 49 HN LYS 49 -9.718 -0.203 -4.927 354 HA LYS 49 HA LYS 49 -10.246 1.814 -3.841 355 HB2 LYS 49 HB2 LYS 49 -12.882 1.092 -5.154 356 HB3 LYS 49 HB1 LYS 49 -12.493 2.671 -4.492 357 HG2 LYS 49 HG2 LYS 49 -10.512 1.560 -6.431 358 HG3 LYS 49 HG1 LYS 49 -12.072 2.017 -7.107 359 HD2 LYS 49 HD2 LYS 49 -10.639 3.931 -5.270 360 HD3 LYS 49 HD1 LYS 49 -10.148 3.810 -6.958 361 HE2 LYS 49 HE2 LYS 49 -12.323 4.443 -7.734 362 HE3 LYS 49 HE1 LYS 49 -13.026 4.256 -6.128 363 HZ1 LYS 49 HZ1 LYS 49 -10.912 6.226 -6.805 364 HZ2 LYS 49 HZ2 LYS 49 -11.762 6.103 -5.339 365 HZ3 LYS 49 HZ3 LYS 49 -12.568 6.588 -6.754 366 HA PRO 50 HA PRO 50 -12.196 -1.173 -0.470 367 HB2 PRO 50 HB2 PRO 50 -10.236 0.574 0.951 368 HB3 PRO 50 HB1 PRO 50 -10.479 -1.179 1.072 369 HG2 PRO 50 HG2 PRO 50 -8.544 0.230 -0.517 370 HG3 PRO 50 HG1 PRO 50 -8.789 -1.521 -0.398 371 HD2 PRO 50 HD2 PRO 50 -9.256 -0.063 -2.696 372 HD3 PRO 50 HD1 PRO 50 -10.071 -1.596 -2.315 373 H THR 51 HN THR 51 -11.357 2.315 -0.337 374 HA THR 51 HA THR 51 -14.078 3.124 0.108 375 HB THR 51 HB THR 51 -13.694 2.128 2.336 376 HG1 THR 51 HG1 THR 51 -13.528 4.698 3.123 377 HG21 THR 51 HG21 THR 51 -11.475 4.169 2.612 378 HG22 THR 51 HG22 THR 51 -11.199 2.461 2.272 379 HG23 THR 51 HG23 THR 51 -11.950 2.947 3.792 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -7.997 4.866 3.525 2 H2 GLY 1 HT2 GLY 1 -9.503 4.127 3.257 3 H3 GLY 1 HT3 GLY 1 -9.192 5.675 2.631 4 HA2 GLY 1 HA2 GLY 1 -8.774 3.084 1.433 5 HA3 GLY 1 HA1 GLY 1 -8.370 4.706 0.800 6 H ILE 2 HN ILE 2 -6.826 2.644 0.072 7 HA ILE 2 HA ILE 2 -4.252 3.733 0.883 8 HB ILE 2 HB ILE 2 -4.539 1.370 0.169 9 HG12 ILE 2 HG12 ILE 2 -2.756 2.829 -1.794 10 HG13 ILE 2 HG11 ILE 2 -2.359 2.712 -0.084 11 HG21 ILE 2 HG21 ILE 2 -4.966 0.810 -2.134 12 HG22 ILE 2 HG22 ILE 2 -4.876 2.501 -2.616 13 HG23 ILE 2 HG23 ILE 2 -6.226 1.939 -1.635 14 HD11 ILE 2 HD11 ILE 2 -3.029 0.068 -1.001 15 HD12 ILE 2 HD12 ILE 2 -1.480 0.679 -0.434 16 HD13 ILE 2 HD13 ILE 2 -1.887 0.778 -2.138 17 H VAL 3 HN VAL 3 -6.363 4.058 -1.941 18 HA VAL 3 HA VAL 3 -4.734 5.457 -3.707 19 HB VAL 3 HB VAL 3 -7.581 6.269 -3.091 20 HG11 VAL 3 HG11 VAL 3 -6.362 7.591 -4.757 21 HG12 VAL 3 HG12 VAL 3 -7.630 6.636 -5.527 22 HG13 VAL 3 HG13 VAL 3 -5.946 6.118 -5.633 23 HG21 VAL 3 HG21 VAL 3 -6.508 3.808 -4.485 24 HG22 VAL 3 HG22 VAL 3 -8.133 4.427 -4.783 25 HG23 VAL 3 HG23 VAL 3 -7.678 3.888 -3.167 26 H GLU 4 HN GLU 4 -6.445 6.689 -0.870 27 HA GLU 4 HA GLU 4 -5.616 9.435 -1.340 28 HB2 GLU 4 HB2 GLU 4 -6.511 8.322 1.322 29 HB3 GLU 4 HB1 GLU 4 -6.737 9.950 0.680 30 HG2 GLU 4 HG2 GLU 4 -8.121 8.820 -1.190 31 HG3 GLU 4 HG1 GLU 4 -8.140 7.404 -0.139 32 H GLN 5 HN GLN 5 -4.210 6.673 0.253 33 HA GLN 5 HA GLN 5 -2.257 8.350 1.722 34 HB2 GLN 5 HB2 GLN 5 -2.603 5.346 1.515 35 HB3 GLN 5 HB1 GLN 5 -1.391 6.149 2.514 36 HG2 GLN 5 HG2 GLN 5 -3.314 7.421 3.600 37 HG3 GLN 5 HG1 GLN 5 -4.399 6.300 2.777 38 HE21 GLN 5 HE21 GLN 5 -1.616 4.574 3.370 39 HE22 GLN 5 HE22 GLN 5 -2.033 3.873 4.859 40 H CYS 6 HN CYS 6 -2.516 6.693 -1.305 41 HA CYS 6 HA CYS 6 0.443 6.780 -1.696 42 HB2 CYS 6 HB2 CYS 6 -1.794 5.236 -2.981 43 HB3 CYS 6 HB1 CYS 6 -0.189 5.304 -3.683 44 H CYS 7 HN CYS 7 -2.633 7.949 -2.997 45 HA CYS 7 HA CYS 7 -1.174 9.337 -5.201 46 HB2 CYS 7 HB2 CYS 7 -3.342 7.968 -5.552 47 HB3 CYS 7 HB1 CYS 7 -4.164 9.321 -4.794 48 H THR 8 HN THR 8 -3.827 10.197 -2.945 49 HA THR 8 HA THR 8 -3.360 13.007 -3.148 50 HB THR 8 HB THR 8 -4.459 11.590 -0.709 51 HG1 THR 8 HG1 THR 8 -6.315 12.337 -2.518 52 HG21 THR 8 HG21 THR 8 -4.171 13.993 -0.548 53 HG22 THR 8 HG22 THR 8 -5.889 13.602 -0.640 54 HG23 THR 8 HG23 THR 8 -5.047 14.223 -2.061 55 H SER 9 HN SER 9 -1.626 10.494 -1.766 56 HA SER 9 HA SER 9 0.311 12.305 -0.569 57 HB2 SER 9 HB2 SER 9 -0.877 10.312 1.334 58 HB3 SER 9 HB1 SER 9 -0.050 11.824 1.682 59 HG SER 9 HG SER 9 -2.630 11.409 1.537 60 H ILE 10 HN ILE 10 2.231 11.056 0.155 61 HA ILE 10 HA ILE 10 2.604 8.666 -1.513 62 HB ILE 10 HB ILE 10 4.505 9.993 0.429 63 HG12 ILE 10 HG12 ILE 10 4.156 10.439 -2.545 64 HG13 ILE 10 HG11 ILE 10 3.663 11.548 -1.282 65 HG21 ILE 10 HG21 ILE 10 6.236 8.866 -0.811 66 HG22 ILE 10 HG22 ILE 10 5.087 8.294 -2.014 67 HG23 ILE 10 HG23 ILE 10 5.048 7.645 -0.375 68 HD11 ILE 10 HD11 ILE 10 5.723 12.420 -1.169 69 HD12 ILE 10 HD12 ILE 10 6.209 11.374 -2.502 70 HD13 ILE 10 HD13 ILE 10 6.420 10.835 -0.840 71 H CYS 11 HN CYS 11 2.831 6.565 -0.749 72 HA CYS 11 HA CYS 11 2.195 6.122 2.148 73 HB2 CYS 11 HB2 CYS 11 1.742 3.706 1.156 74 HB3 CYS 11 HB1 CYS 11 0.540 4.976 0.965 75 H SER 12 HN SER 12 3.342 4.394 3.241 76 HA SER 12 HA SER 12 6.143 4.076 2.255 77 HB2 SER 12 HB2 SER 12 4.881 3.737 4.983 78 HB3 SER 12 HB1 SER 12 6.545 3.288 4.627 79 HG SER 12 HG SER 12 5.663 5.824 3.859 80 H LEU 13 HN LEU 13 7.056 1.995 2.077 81 HA LEU 13 HA LEU 13 5.594 -0.073 1.024 82 HB2 LEU 13 HB2 LEU 13 8.216 0.300 1.607 83 HB3 LEU 13 HB1 LEU 13 7.833 -0.881 2.850 84 HG LEU 13 HG LEU 13 6.897 -2.378 1.076 85 HD11 LEU 13 HD11 LEU 13 6.313 -1.225 -0.821 86 HD12 LEU 13 HD12 LEU 13 7.965 -1.587 -1.298 87 HD13 LEU 13 HD13 LEU 13 7.574 -0.011 -0.613 88 HD21 LEU 13 HD21 LEU 13 9.135 -2.804 1.812 89 HD22 LEU 13 HD22 LEU 13 9.769 -1.439 0.891 90 HD23 LEU 13 HD23 LEU 13 9.182 -2.875 0.050 91 H TYR 14 HN TYR 14 6.036 0.620 4.472 92 HA TYR 14 HA TYR 14 4.933 -1.875 5.384 93 HB2 TYR 14 HB2 TYR 14 5.399 -1.009 7.438 94 HB3 TYR 14 HB1 TYR 14 6.004 0.415 6.601 95 HD1 TYR 14 HD1 TYR 14 4.969 2.483 6.955 96 HD2 TYR 14 HD2 TYR 14 2.851 -1.099 7.906 97 HE1 TYR 14 HE1 TYR 14 3.169 3.841 7.993 98 HE2 TYR 14 HE2 TYR 14 1.042 0.235 8.947 99 HH TYR 14 HH TYR 14 1.354 3.710 9.398 100 H GLN 15 HN GLN 15 3.477 1.163 4.358 101 HA GLN 15 HA GLN 15 0.797 0.356 5.158 102 HB2 GLN 15 HB2 GLN 15 1.568 2.500 3.151 103 HB3 GLN 15 HB1 GLN 15 0.063 2.369 4.052 104 HG2 GLN 15 HG2 GLN 15 1.217 2.789 6.145 105 HG3 GLN 15 HG1 GLN 15 2.776 2.776 5.321 106 HE21 GLN 15 HE21 GLN 15 0.649 4.163 3.184 107 HE22 GLN 15 HE22 GLN 15 0.887 5.796 3.571 108 H LEU 16 HN LEU 16 2.840 0.165 2.309 109 HA LEU 16 HA LEU 16 0.739 -0.635 0.495 110 HB2 LEU 16 HB2 LEU 16 3.238 0.323 0.144 111 HB3 LEU 16 HB1 LEU 16 3.607 -1.387 0.015 112 HG LEU 16 HG LEU 16 1.912 -1.608 -1.766 113 HD11 LEU 16 HD11 LEU 16 1.289 1.156 -0.934 114 HD12 LEU 16 HD12 LEU 16 0.277 -0.052 -1.716 115 HD13 LEU 16 HD13 LEU 16 1.369 0.925 -2.681 116 HD21 LEU 16 HD21 LEU 16 4.444 -0.376 -1.950 117 HD22 LEU 16 HD22 LEU 16 3.390 0.593 -2.969 118 HD23 LEU 16 HD23 LEU 16 3.529 -1.134 -3.250 119 H GLU 17 HN GLU 17 3.329 -2.381 2.214 120 HA GLU 17 HA GLU 17 2.564 -4.996 1.329 121 HB2 GLU 17 HB2 GLU 17 3.853 -4.188 3.963 122 HB3 GLU 17 HB1 GLU 17 3.859 -5.810 3.271 123 HG2 GLU 17 HG2 GLU 17 5.341 -5.224 1.561 124 HG3 GLU 17 HG1 GLU 17 4.939 -3.508 1.656 125 H ASN 18 HN ASN 18 1.306 -2.803 3.640 126 HA ASN 18 HA ASN 18 -0.103 -4.603 5.357 127 HB2 ASN 18 HB2 ASN 18 0.048 -1.729 4.834 128 HB3 ASN 18 HB1 ASN 18 -1.549 -2.197 5.336 129 HD21 ASN 18 HD21 ASN 18 0.792 -0.734 6.728 130 HD22 ASN 18 HD22 ASN 18 0.875 -1.544 8.208 131 H TYR 19 HN TYR 19 -0.996 -3.156 2.217 132 HA TYR 19 HA TYR 19 -3.746 -4.213 2.417 133 HB2 TYR 19 HB2 TYR 19 -2.241 -2.913 0.132 134 HB3 TYR 19 HB1 TYR 19 -3.935 -3.399 0.058 135 HD1 TYR 19 HD1 TYR 19 -5.593 -2.371 1.682 136 HD2 TYR 19 HD2 TYR 19 -1.588 -0.919 1.217 137 HE1 TYR 19 HE1 TYR 19 -6.238 -0.245 2.789 138 HE2 TYR 19 HE2 TYR 19 -2.223 1.209 2.328 139 HH TYR 19 HH TYR 19 -4.369 1.745 4.171 140 H CYS 20 HN CYS 20 -0.814 -5.607 1.890 141 HA CYS 20 HA CYS 20 -1.831 -7.568 -0.110 142 HB2 CYS 20 HB2 CYS 20 0.301 -6.686 -0.718 143 HB3 CYS 20 HB1 CYS 20 0.945 -6.953 0.904 144 H ASN 21 HN ASN 21 -1.891 -9.766 0.379 145 HA ASN 21 HA ASN 21 -2.579 -10.537 2.998 146 HB2 ASN 21 HB2 ASN 21 -1.508 -12.177 0.687 147 HB3 ASN 21 HB1 ASN 21 -2.234 -12.855 2.136 148 HD21 ASN 21 HD21 ASN 21 -3.783 -13.686 0.278 149 HD22 ASN 21 HD22 ASN 21 -5.111 -12.689 -0.070 150 H1 PHE 22 HT1 PHE 22 12.786 0.704 -1.107 151 H2 PHE 22 HT2 PHE 22 11.784 1.366 0.094 152 H3 PHE 22 HT3 PHE 22 12.963 2.330 -0.659 153 HA PHE 22 HA PHE 22 11.611 1.566 -2.800 154 HB2 PHE 22 HB2 PHE 22 10.051 0.419 -0.982 155 HB3 PHE 22 HB1 PHE 22 9.393 2.044 -0.813 156 HD1 PHE 22 HD1 PHE 22 8.220 3.131 -2.694 157 HD2 PHE 22 HD2 PHE 22 9.783 -0.853 -3.028 158 HE1 PHE 22 HE1 PHE 22 6.867 2.774 -4.742 159 HE2 PHE 22 HE2 PHE 22 8.431 -1.212 -5.078 160 HZ PHE 22 HZ PHE 22 6.974 0.602 -5.934 161 H VAL 23 HN VAL 23 11.626 3.511 -3.851 162 HA VAL 23 HA VAL 23 12.162 5.980 -2.599 163 HB VAL 23 HB VAL 23 12.410 5.586 -5.042 164 HG11 VAL 23 HG11 VAL 23 10.152 4.363 -5.163 165 HG12 VAL 23 HG12 VAL 23 10.511 5.477 -6.482 166 HG13 VAL 23 HG13 VAL 23 9.411 5.963 -5.192 167 HG21 VAL 23 HG21 VAL 23 12.198 7.895 -4.025 168 HG22 VAL 23 HG22 VAL 23 10.485 7.855 -4.443 169 HG23 VAL 23 HG23 VAL 23 11.705 7.805 -5.716 170 H ASN 24 HN ASN 24 10.799 7.774 -2.090 171 HA ASN 24 HA ASN 24 8.018 6.990 -1.365 172 HB2 ASN 24 HB2 ASN 24 9.280 9.555 -0.481 173 HB3 ASN 24 HB1 ASN 24 8.182 8.504 0.381 174 HD21 ASN 24 HD21 ASN 24 10.577 9.442 1.598 175 HD22 ASN 24 HD22 ASN 24 11.601 8.114 1.836 176 H GLN 25 HN GLN 25 7.198 7.290 -3.533 177 HA GLN 25 HA GLN 25 6.909 10.133 -4.369 178 HB2 GLN 25 HB2 GLN 25 6.792 9.295 -6.665 179 HB3 GLN 25 HB1 GLN 25 8.337 8.899 -5.932 180 HG2 GLN 25 HG2 GLN 25 7.179 6.667 -5.273 181 HG3 GLN 25 HG1 GLN 25 5.993 7.102 -6.497 182 HE21 GLN 25 HE21 GLN 25 8.018 8.506 -8.158 183 HE22 GLN 25 HE22 GLN 25 8.913 7.279 -8.894 184 H HIS 26 HN HIS 26 4.837 10.753 -5.099 185 HA HIS 26 HA HIS 26 2.608 9.314 -3.998 186 HB2 HIS 26 HB2 HIS 26 2.435 11.440 -6.134 187 HB3 HIS 26 HB1 HIS 26 1.292 11.089 -4.844 188 HD1 HIS 26 HD1 HIS 26 4.997 12.044 -5.036 189 HD2 HIS 26 HD2 HIS 26 1.623 12.747 -2.757 190 HE1 HIS 26 HE1 HIS 26 5.688 13.628 -3.179 191 HE2 HIS 26 HE2 HIS 26 3.602 14.166 -1.862 192 H LEU 27 HN LEU 27 1.958 7.394 -4.869 193 HA LEU 27 HA LEU 27 2.189 6.928 -7.781 194 HB2 LEU 27 HB2 LEU 27 0.989 5.064 -5.734 195 HB3 LEU 27 HB1 LEU 27 1.656 4.661 -7.303 196 HG LEU 27 HG LEU 27 3.378 5.891 -5.145 197 HD11 LEU 27 HD11 LEU 27 4.083 3.635 -4.540 198 HD12 LEU 27 HD12 LEU 27 2.943 2.948 -5.697 199 HD13 LEU 27 HD13 LEU 27 2.348 3.810 -4.278 200 HD21 LEU 27 HD21 LEU 27 3.941 4.191 -7.591 201 HD22 LEU 27 HD22 LEU 27 5.160 4.793 -6.468 202 HD23 LEU 27 HD23 LEU 27 4.234 5.922 -7.453 203 H CYS 28 HN CYS 28 0.396 6.428 -9.078 204 HA CYS 28 HA CYS 28 -2.325 6.638 -8.022 205 HB2 CYS 28 HB2 CYS 28 -1.319 8.654 -10.058 206 HB3 CYS 28 HB1 CYS 28 -2.964 8.518 -9.451 207 H GLY 29 HN GLY 29 -3.815 6.647 -10.227 208 HA2 GLY 29 HA2 GLY 29 -4.454 5.211 -11.991 209 HA3 GLY 29 HA1 GLY 29 -2.852 5.573 -12.630 210 H SER 30 HN SER 30 -2.344 3.495 -13.340 211 HA SER 30 HA SER 30 -2.693 1.183 -11.589 212 HB2 SER 30 HB2 SER 30 -0.946 1.193 -14.044 213 HB3 SER 30 HB1 SER 30 -1.918 -0.119 -13.376 214 HG SER 30 HG SER 30 -3.695 1.584 -13.827 215 H ASP 31 HN ASP 31 -0.243 3.578 -12.047 216 HA ASP 31 HA ASP 31 2.153 2.253 -11.450 217 HB2 ASP 31 HB2 ASP 31 1.275 4.856 -10.153 218 HB3 ASP 31 HB1 ASP 31 2.929 4.319 -10.427 219 H LEU 32 HN LEU 32 -0.272 3.462 -9.176 220 HA LEU 32 HA LEU 32 0.896 2.523 -6.763 221 HB2 LEU 32 HB2 LEU 32 -0.950 4.074 -6.731 222 HB3 LEU 32 HB1 LEU 32 -1.970 2.962 -7.638 223 HG LEU 32 HG LEU 32 -2.074 1.431 -5.774 224 HD11 LEU 32 HD11 LEU 32 0.095 3.210 -4.670 225 HD12 LEU 32 HD12 LEU 32 0.038 1.453 -4.752 226 HD13 LEU 32 HD13 LEU 32 -0.945 2.312 -3.572 227 HD21 LEU 32 HD21 LEU 32 -3.141 2.931 -4.099 228 HD22 LEU 32 HD22 LEU 32 -3.626 3.311 -5.752 229 HD23 LEU 32 HD23 LEU 32 -2.441 4.312 -4.936 230 H VAL 33 HN VAL 33 -1.694 1.006 -8.730 231 HA VAL 33 HA VAL 33 -1.873 -1.434 -7.351 232 HB VAL 33 HB VAL 33 -2.151 -0.762 -10.287 233 HG11 VAL 33 HG11 VAL 33 -3.282 -3.116 -10.356 234 HG12 VAL 33 HG12 VAL 33 -2.313 -3.452 -8.921 235 HG13 VAL 33 HG13 VAL 33 -1.522 -3.033 -10.440 236 HG21 VAL 33 HG21 VAL 33 -4.175 -1.672 -8.234 237 HG22 VAL 33 HG22 VAL 33 -4.502 -1.010 -9.836 238 HG23 VAL 33 HG23 VAL 33 -3.822 0.021 -8.576 239 H GLU 34 HN GLU 34 0.064 -0.805 -10.260 240 HA GLU 34 HA GLU 34 1.453 -3.121 -10.512 241 HB2 GLU 34 HB2 GLU 34 2.223 -0.253 -10.860 242 HB3 GLU 34 HB1 GLU 34 3.425 -1.502 -11.150 243 HG2 GLU 34 HG2 GLU 34 0.697 -1.728 -12.415 244 HG3 GLU 34 HG1 GLU 34 1.909 -0.680 -13.135 245 H ALA 35 HN ALA 35 2.177 -0.498 -8.232 246 HA ALA 35 HA ALA 35 4.528 -1.602 -7.098 247 HB1 ALA 35 HB1 ALA 35 3.414 0.697 -6.665 248 HB2 ALA 35 HB2 ALA 35 4.179 -0.105 -5.293 249 HB3 ALA 35 HB3 ALA 35 2.426 -0.158 -5.480 250 H LEU 36 HN LEU 36 1.177 -1.865 -5.806 251 HA LEU 36 HA LEU 36 1.729 -3.869 -3.914 252 HB2 LEU 36 HB2 LEU 36 -0.725 -3.508 -5.650 253 HB3 LEU 36 HB1 LEU 36 -0.656 -4.608 -4.276 254 HG LEU 36 HG LEU 36 0.086 -1.703 -3.904 255 HD11 LEU 36 HD11 LEU 36 -2.218 -1.169 -3.388 256 HD12 LEU 36 HD12 LEU 36 -2.713 -2.829 -3.687 257 HD13 LEU 36 HD13 LEU 36 -2.162 -1.822 -5.023 258 HD21 LEU 36 HD21 LEU 36 -1.225 -3.757 -2.100 259 HD22 LEU 36 HD22 LEU 36 -0.669 -2.159 -1.622 260 HD23 LEU 36 HD23 LEU 36 0.493 -3.389 -2.097 261 H TYR 37 HN TYR 37 0.801 -4.216 -7.328 262 HA TYR 37 HA TYR 37 0.913 -7.030 -7.495 263 HB2 TYR 37 HB2 TYR 37 0.248 -5.267 -9.295 264 HB3 TYR 37 HB1 TYR 37 1.958 -5.214 -9.676 265 HD1 TYR 37 HD1 TYR 37 -1.121 -7.068 -10.042 266 HD2 TYR 37 HD2 TYR 37 3.156 -7.367 -10.310 267 HE1 TYR 37 HE1 TYR 37 -1.350 -9.137 -11.390 268 HE2 TYR 37 HE2 TYR 37 2.927 -9.436 -11.658 269 HH TYR 37 HH TYR 37 0.373 -11.279 -11.773 270 H LEU 38 HN LEU 38 3.389 -4.629 -7.164 271 HA LEU 38 HA LEU 38 5.608 -6.447 -7.801 272 HB2 LEU 38 HB2 LEU 38 5.366 -3.796 -8.050 273 HB3 LEU 38 HB1 LEU 38 5.924 -3.812 -6.391 274 HG LEU 38 HG LEU 38 7.827 -5.356 -7.283 275 HD11 LEU 38 HD11 LEU 38 8.413 -4.803 -9.648 276 HD12 LEU 38 HD12 LEU 38 6.860 -3.989 -9.816 277 HD13 LEU 38 HD13 LEU 38 6.919 -5.727 -9.530 278 HD21 LEU 38 HD21 LEU 38 8.233 -3.127 -6.435 279 HD22 LEU 38 HD22 LEU 38 7.567 -2.400 -7.897 280 HD23 LEU 38 HD23 LEU 38 9.096 -3.277 -7.966 281 H VAL 39 HN VAL 39 4.721 -4.516 -4.941 282 HA VAL 39 HA VAL 39 6.285 -5.815 -3.015 283 HB VAL 39 HB VAL 39 3.498 -4.654 -2.627 284 HG11 VAL 39 HG11 VAL 39 5.806 -4.746 -0.683 285 HG12 VAL 39 HG12 VAL 39 4.528 -5.961 -0.709 286 HG13 VAL 39 HG13 VAL 39 4.137 -4.280 -0.366 287 HG21 VAL 39 HG21 VAL 39 4.827 -2.594 -2.011 288 HG22 VAL 39 HG22 VAL 39 4.798 -2.993 -3.728 289 HG23 VAL 39 HG23 VAL 39 6.221 -3.364 -2.757 290 H CYS 40 HN CYS 40 2.832 -6.379 -3.663 291 HA CYS 40 HA CYS 40 2.715 -8.745 -2.049 292 HB2 CYS 40 HB2 CYS 40 0.847 -7.092 -2.941 293 HB3 CYS 40 HB1 CYS 40 0.756 -8.242 -4.268 294 H GLY 41 HN GLY 41 3.447 -8.221 -5.452 295 HA2 GLY 41 HA2 GLY 41 4.033 -9.774 -7.125 296 HA3 GLY 41 HA1 GLY 41 4.742 -10.689 -5.795 297 H GLU 42 HN GLU 42 3.994 -12.746 -5.836 298 HA GLU 42 HA GLU 42 1.379 -13.372 -7.006 299 HB2 GLU 42 HB2 GLU 42 2.041 -15.747 -6.373 300 HB3 GLU 42 HB1 GLU 42 3.103 -14.934 -7.521 301 HG2 GLU 42 HG2 GLU 42 3.679 -14.766 -4.564 302 HG3 GLU 42 HG1 GLU 42 4.155 -16.199 -5.472 303 H ARG 43 HN ARG 43 2.375 -12.435 -3.929 304 HA ARG 43 HA ARG 43 0.857 -14.181 -2.262 305 HB2 ARG 43 HB2 ARG 43 1.608 -11.281 -1.900 306 HB3 ARG 43 HB1 ARG 43 0.825 -12.233 -0.651 307 HG2 ARG 43 HG2 ARG 43 2.702 -13.813 -0.665 308 HG3 ARG 43 HG1 ARG 43 3.479 -12.892 -1.955 309 HD2 ARG 43 HD2 ARG 43 3.271 -10.862 -0.312 310 HD3 ARG 43 HD1 ARG 43 3.045 -12.107 0.922 311 HE ARG 43 HE ARG 43 5.322 -12.896 -0.482 312 HH11 ARG 43 HH11 ARG 43 7.394 -12.298 0.200 313 HH12 ARG 43 HH12 ARG 43 7.592 -10.886 1.183 314 HH21 ARG 43 HH21 ARG 43 4.209 -10.129 1.245 315 HH22 ARG 43 HH22 ARG 43 5.790 -9.659 1.775 316 H GLY 44 HN GLY 44 -0.085 -11.493 -4.264 317 HA2 GLY 44 HA2 GLY 44 -2.294 -11.037 -5.041 318 HA3 GLY 44 HA1 GLY 44 -2.923 -12.180 -3.853 319 H TYR 45 HN TYR 45 -3.151 -9.060 -4.595 320 HA TYR 45 HA TYR 45 -3.310 -8.157 -1.741 321 HB2 TYR 45 HB2 TYR 45 -2.795 -5.875 -2.583 322 HB3 TYR 45 HB1 TYR 45 -1.480 -6.978 -2.906 323 HD1 TYR 45 HD1 TYR 45 -3.845 -4.714 -4.379 324 HD2 TYR 45 HD2 TYR 45 -1.404 -8.141 -5.162 325 HE1 TYR 45 HE1 TYR 45 -4.004 -4.263 -6.804 326 HE2 TYR 45 HE2 TYR 45 -1.563 -7.707 -7.601 327 HH TYR 45 HH TYR 45 -3.820 -5.723 -8.958 328 H PHE 46 HN PHE 46 -4.806 -6.096 -1.717 329 HA PHE 46 HA PHE 46 -7.217 -6.655 -3.428 330 HB2 PHE 46 HB2 PHE 46 -7.345 -5.526 -0.636 331 HB3 PHE 46 HB1 PHE 46 -8.636 -6.255 -1.584 332 HD1 PHE 46 HD1 PHE 46 -6.276 -6.849 0.984 333 HD2 PHE 46 HD2 PHE 46 -8.190 -8.752 -2.359 334 HE1 PHE 46 HE1 PHE 46 -5.762 -9.072 1.955 335 HE2 PHE 46 HE2 PHE 46 -7.675 -10.974 -1.388 336 HZ PHE 46 HZ PHE 46 -6.462 -11.135 0.769 337 H TYR 47 HN TYR 47 -7.436 -4.998 -4.793 338 HA TYR 47 HA TYR 47 -7.023 -2.204 -3.779 339 HB2 TYR 47 HB2 TYR 47 -5.145 -2.889 -5.272 340 HB3 TYR 47 HB1 TYR 47 -6.318 -3.208 -6.554 341 HD1 TYR 47 HD1 TYR 47 -5.013 -0.564 -4.285 342 HD2 TYR 47 HD2 TYR 47 -7.239 -1.436 -7.851 343 HE1 TYR 47 HE1 TYR 47 -5.075 1.836 -4.830 344 HE2 TYR 47 HE2 TYR 47 -7.283 0.981 -8.412 345 HH TYR 47 HH TYR 47 -7.102 3.232 -6.828 346 H THR 48 HN THR 48 -9.084 -1.409 -3.711 347 HA THR 48 HA THR 48 -10.577 -0.893 -6.043 348 HB THR 48 HB THR 48 -11.284 -3.072 -6.405 349 HG1 THR 48 HG1 THR 48 -13.024 -1.990 -4.457 350 HG21 THR 48 HG21 THR 48 -10.765 -3.394 -3.473 351 HG22 THR 48 HG22 THR 48 -10.303 -4.437 -4.817 352 HG23 THR 48 HG23 THR 48 -11.955 -4.465 -4.209 353 H LYS 49 HN LYS 49 -11.932 -2.142 -3.011 354 HA LYS 49 HA LYS 49 -12.561 0.660 -2.163 355 HB2 LYS 49 HB2 LYS 49 -14.449 -1.703 -2.354 356 HB3 LYS 49 HB1 LYS 49 -14.789 -0.294 -1.354 357 HG2 LYS 49 HG2 LYS 49 -14.054 0.099 -4.252 358 HG3 LYS 49 HG1 LYS 49 -15.693 -0.395 -3.838 359 HD2 LYS 49 HD2 LYS 49 -15.851 1.563 -2.289 360 HD3 LYS 49 HD1 LYS 49 -14.260 2.087 -2.840 361 HE2 LYS 49 HE2 LYS 49 -16.662 1.671 -4.642 362 HE3 LYS 49 HE1 LYS 49 -16.102 3.237 -4.055 363 HZ1 LYS 49 HZ1 LYS 49 -14.017 1.662 -5.239 364 HZ2 LYS 49 HZ2 LYS 49 -14.458 3.276 -5.535 365 HZ3 LYS 49 HZ3 LYS 49 -15.269 2.011 -6.327 366 HA PRO 50 HA PRO 50 -10.178 -2.342 0.775 367 HB2 PRO 50 HB2 PRO 50 -9.302 0.384 1.592 368 HB3 PRO 50 HB1 PRO 50 -8.332 -1.062 1.264 369 HG2 PRO 50 HG2 PRO 50 -8.832 1.142 -0.482 370 HG3 PRO 50 HG1 PRO 50 -7.909 -0.329 -0.830 371 HD2 PRO 50 HD2 PRO 50 -10.323 0.371 -2.028 372 HD3 PRO 50 HD1 PRO 50 -9.652 -1.272 -1.993 373 H THR 51 HN THR 51 -11.124 0.928 1.882 374 HA THR 51 HA THR 51 -12.293 -0.201 4.315 375 HB THR 51 HB THR 51 -12.644 2.088 4.981 376 HG1 THR 51 HG1 THR 51 -11.782 3.225 2.643 377 HG21 THR 51 HG21 THR 51 -10.408 3.015 4.711 378 HG22 THR 51 HG22 THR 51 -10.114 1.975 3.317 379 HG23 THR 51 HG23 THR 51 -10.287 1.269 4.924 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 -10.100 4.537 2.428 2 H2 GLY 1 HT2 GLY 1 -9.123 5.770 1.787 3 H3 GLY 1 HT3 GLY 1 -8.638 4.942 3.189 4 HA2 GLY 1 HA2 GLY 1 -8.780 2.765 1.729 5 HA3 GLY 1 HA1 GLY 1 -8.513 4.003 0.467 6 H ILE 2 HN ILE 2 -6.810 2.226 0.250 7 HA ILE 2 HA ILE 2 -4.336 3.504 0.980 8 HB ILE 2 HB ILE 2 -4.494 1.102 0.409 9 HG12 ILE 2 HG12 ILE 2 -2.749 2.558 -1.593 10 HG13 ILE 2 HG11 ILE 2 -2.361 2.452 0.118 11 HG21 ILE 2 HG21 ILE 2 -4.967 2.089 -2.420 12 HG22 ILE 2 HG22 ILE 2 -6.186 1.346 -1.393 13 HG23 ILE 2 HG23 ILE 2 -4.791 0.410 -1.924 14 HD11 ILE 2 HD11 ILE 2 -2.912 -0.211 -0.676 15 HD12 ILE 2 HD12 ILE 2 -1.339 0.494 -0.320 16 HD13 ILE 2 HD13 ILE 2 -1.940 0.482 -1.971 17 H VAL 3 HN VAL 3 -6.451 3.714 -1.821 18 HA VAL 3 HA VAL 3 -4.754 5.080 -3.619 19 HB VAL 3 HB VAL 3 -7.693 5.684 -3.231 20 HG11 VAL 3 HG11 VAL 3 -6.325 6.962 -4.897 21 HG12 VAL 3 HG12 VAL 3 -7.645 6.037 -5.614 22 HG13 VAL 3 HG13 VAL 3 -5.989 5.436 -5.714 23 HG21 VAL 3 HG21 VAL 3 -7.578 3.297 -3.165 24 HG22 VAL 3 HG22 VAL 3 -6.350 3.256 -4.430 25 HG23 VAL 3 HG23 VAL 3 -8.005 3.718 -4.823 26 H GLU 4 HN GLU 4 -6.725 6.286 -0.952 27 HA GLU 4 HA GLU 4 -6.134 9.070 -1.536 28 HB2 GLU 4 HB2 GLU 4 -7.038 8.061 1.160 29 HB3 GLU 4 HB1 GLU 4 -7.432 9.583 0.357 30 HG2 GLU 4 HG2 GLU 4 -8.569 8.121 -1.449 31 HG3 GLU 4 HG1 GLU 4 -8.465 6.815 -0.268 32 H GLN 5 HN GLN 5 -4.478 6.552 0.163 33 HA GLN 5 HA GLN 5 -2.837 8.463 1.719 34 HB2 GLN 5 HB2 GLN 5 -3.623 6.212 2.614 35 HB3 GLN 5 HB1 GLN 5 -2.484 5.472 1.504 36 HG2 GLN 5 HG2 GLN 5 -1.278 5.666 3.532 37 HG3 GLN 5 HG1 GLN 5 -0.707 7.014 2.549 38 HE21 GLN 5 HE21 GLN 5 -3.803 7.846 3.315 39 HE22 GLN 5 HE22 GLN 5 -3.528 8.716 4.739 40 H CYS 6 HN CYS 6 -2.488 6.318 -1.103 41 HA CYS 6 HA CYS 6 0.369 7.045 -1.337 42 HB2 CYS 6 HB2 CYS 6 -1.210 5.267 -3.182 43 HB3 CYS 6 HB1 CYS 6 0.514 5.261 -2.858 44 H CYS 7 HN CYS 7 -2.711 7.833 -2.843 45 HA CYS 7 HA CYS 7 -1.304 9.139 -5.123 46 HB2 CYS 7 HB2 CYS 7 -3.406 7.692 -5.409 47 HB3 CYS 7 HB1 CYS 7 -4.289 9.023 -4.682 48 H THR 8 HN THR 8 -4.057 10.139 -3.054 49 HA THR 8 HA THR 8 -3.663 12.917 -3.420 50 HB THR 8 HB THR 8 -4.630 11.621 -0.859 51 HG1 THR 8 HG1 THR 8 -5.817 10.628 -2.391 52 HG21 THR 8 HG21 THR 8 -6.119 13.613 -0.865 53 HG22 THR 8 HG22 THR 8 -5.273 14.193 -2.300 54 HG23 THR 8 HG23 THR 8 -4.406 14.018 -0.773 55 H SER 9 HN SER 9 -1.820 10.587 -1.862 56 HA SER 9 HA SER 9 0.033 12.599 -0.786 57 HB2 SER 9 HB2 SER 9 -0.979 10.463 1.081 58 HB3 SER 9 HB1 SER 9 -0.194 11.989 1.469 59 HG SER 9 HG SER 9 -2.086 13.035 0.681 60 H ILE 10 HN ILE 10 1.612 10.782 0.709 61 HA ILE 10 HA ILE 10 2.386 8.764 -1.384 62 HB ILE 10 HB ILE 10 4.170 10.137 0.642 63 HG12 ILE 10 HG12 ILE 10 3.992 10.631 -2.338 64 HG13 ILE 10 HG11 ILE 10 3.211 11.636 -1.138 65 HG21 ILE 10 HG21 ILE 10 4.903 7.882 -0.141 66 HG22 ILE 10 HG22 ILE 10 5.978 9.171 -0.672 67 HG23 ILE 10 HG23 ILE 10 4.825 8.469 -1.803 68 HD11 ILE 10 HD11 ILE 10 5.113 12.799 -0.903 69 HD12 ILE 10 HD12 ILE 10 5.950 11.697 -1.995 70 HD13 ILE 10 HD13 ILE 10 5.903 11.357 -0.271 71 H CYS 11 HN CYS 11 2.936 6.686 -0.656 72 HA CYS 11 HA CYS 11 2.141 6.063 2.171 73 HB2 CYS 11 HB2 CYS 11 2.087 4.390 -0.353 74 HB3 CYS 11 HB1 CYS 11 1.797 3.735 1.258 75 H SER 12 HN SER 12 3.272 4.058 3.016 76 HA SER 12 HA SER 12 6.166 4.032 2.210 77 HB2 SER 12 HB2 SER 12 4.897 3.724 4.942 78 HB3 SER 12 HB1 SER 12 6.588 3.373 4.605 79 HG SER 12 HG SER 12 5.305 5.849 4.061 80 H LEU 13 HN LEU 13 7.128 1.973 2.078 81 HA LEU 13 HA LEU 13 5.707 -0.160 1.104 82 HB2 LEU 13 HB2 LEU 13 8.325 0.289 1.657 83 HB3 LEU 13 HB1 LEU 13 7.976 -0.871 2.928 84 HG LEU 13 HG LEU 13 7.052 -2.422 1.192 85 HD11 LEU 13 HD11 LEU 13 8.101 -1.670 -1.201 86 HD12 LEU 13 HD12 LEU 13 7.684 -0.087 -0.552 87 HD13 LEU 13 HD13 LEU 13 6.443 -1.326 -0.727 88 HD21 LEU 13 HD21 LEU 13 9.249 -3.106 0.361 89 HD22 LEU 13 HD22 LEU 13 9.396 -2.547 2.028 90 HD23 LEU 13 HD23 LEU 13 9.899 -1.502 0.699 91 H TYR 14 HN TYR 14 6.160 0.642 4.527 92 HA TYR 14 HA TYR 14 5.122 -1.849 5.522 93 HB2 TYR 14 HB2 TYR 14 5.578 -0.907 7.545 94 HB3 TYR 14 HB1 TYR 14 6.137 0.507 6.662 95 HD1 TYR 14 HD1 TYR 14 5.047 2.554 6.963 96 HD2 TYR 14 HD2 TYR 14 3.032 -1.055 8.029 97 HE1 TYR 14 HE1 TYR 14 3.215 3.893 7.969 98 HE2 TYR 14 HE2 TYR 14 1.191 0.259 9.040 99 HH TYR 14 HH TYR 14 1.442 3.518 9.756 100 H GLN 15 HN GLN 15 3.583 1.133 4.439 101 HA GLN 15 HA GLN 15 0.933 0.297 5.275 102 HB2 GLN 15 HB2 GLN 15 1.683 2.380 3.194 103 HB3 GLN 15 HB1 GLN 15 0.149 2.233 4.043 104 HG2 GLN 15 HG2 GLN 15 1.236 2.722 6.170 105 HG3 GLN 15 HG1 GLN 15 2.806 2.778 5.373 106 HE21 GLN 15 HE21 GLN 15 0.679 4.011 3.161 107 HE22 GLN 15 HE22 GLN 15 0.811 5.660 3.526 108 H LEU 16 HN LEU 16 2.910 0.130 2.361 109 HA LEU 16 HA LEU 16 0.833 -0.834 0.629 110 HB2 LEU 16 HB2 LEU 16 3.286 0.171 0.196 111 HB3 LEU 16 HB1 LEU 16 3.718 -1.526 0.169 112 HG LEU 16 HG LEU 16 2.061 -1.929 -1.600 113 HD11 LEU 16 HD11 LEU 16 1.345 0.487 -2.664 114 HD12 LEU 16 HD12 LEU 16 1.278 0.851 -0.941 115 HD13 LEU 16 HD13 LEU 16 0.323 -0.472 -1.605 116 HD21 LEU 16 HD21 LEU 16 3.416 0.317 -2.885 117 HD22 LEU 16 HD22 LEU 16 3.628 -1.408 -3.124 118 HD23 LEU 16 HD23 LEU 16 4.515 -0.583 -1.845 119 H GLU 17 HN GLU 17 3.501 -2.463 2.346 120 HA GLU 17 HA GLU 17 2.793 -5.120 1.575 121 HB2 GLU 17 HB2 GLU 17 4.059 -4.166 4.169 122 HB3 GLU 17 HB1 GLU 17 4.080 -5.827 3.577 123 HG2 GLU 17 HG2 GLU 17 5.530 -5.318 1.805 124 HG3 GLU 17 HG1 GLU 17 5.150 -3.595 1.855 125 H ASN 18 HN ASN 18 1.560 -2.915 3.925 126 HA ASN 18 HA ASN 18 0.149 -4.700 5.634 127 HB2 ASN 18 HB2 ASN 18 0.294 -1.837 5.101 128 HB3 ASN 18 HB1 ASN 18 -1.320 -2.294 5.557 129 HD21 ASN 18 HD21 ASN 18 0.976 -0.825 7.007 130 HD22 ASN 18 HD22 ASN 18 1.014 -1.624 8.496 131 H TYR 19 HN TYR 19 -0.768 -3.307 2.473 132 HA TYR 19 HA TYR 19 -3.503 -4.402 2.701 133 HB2 TYR 19 HB2 TYR 19 -2.048 -3.123 0.371 134 HB3 TYR 19 HB1 TYR 19 -3.745 -3.599 0.358 135 HD1 TYR 19 HD1 TYR 19 -5.334 -2.546 2.054 136 HD2 TYR 19 HD2 TYR 19 -1.364 -1.100 1.355 137 HE1 TYR 19 HE1 TYR 19 -5.932 -0.393 3.140 138 HE2 TYR 19 HE2 TYR 19 -1.946 1.052 2.447 139 HH TYR 19 HH TYR 19 -3.497 2.056 3.814 140 H CYS 20 HN CYS 20 -0.501 -5.698 2.043 141 HA CYS 20 HA CYS 20 -1.540 -7.696 0.107 142 HB2 CYS 20 HB2 CYS 20 0.586 -6.848 -0.537 143 HB3 CYS 20 HB1 CYS 20 1.232 -7.039 1.094 144 H ASN 21 HN ASN 21 -1.614 -9.894 0.613 145 HA ASN 21 HA ASN 21 -2.178 -10.594 3.319 146 HB2 ASN 21 HB2 ASN 21 -1.382 -12.517 1.127 147 HB3 ASN 21 HB1 ASN 21 -2.455 -12.806 2.488 148 HD21 ASN 21 HD21 ASN 21 -3.832 -13.462 0.397 149 HD22 ASN 21 HD22 ASN 21 -4.820 -12.227 -0.219 150 H1 PHE 22 HT1 PHE 22 13.194 1.844 -1.129 151 H2 PHE 22 HT2 PHE 22 12.070 0.774 -0.437 152 H3 PHE 22 HT3 PHE 22 12.129 2.394 0.071 153 HA PHE 22 HA PHE 22 11.583 1.756 -2.750 154 HB2 PHE 22 HB2 PHE 22 10.050 0.530 -0.962 155 HB3 PHE 22 HB1 PHE 22 9.331 2.127 -0.777 156 HD1 PHE 22 HD1 PHE 22 8.139 3.200 -2.655 157 HD2 PHE 22 HD2 PHE 22 9.840 -0.725 -3.025 158 HE1 PHE 22 HE1 PHE 22 6.814 2.820 -4.718 159 HE2 PHE 22 HE2 PHE 22 8.517 -1.105 -5.089 160 HZ PHE 22 HZ PHE 22 7.005 0.668 -5.935 161 H VAL 23 HN VAL 23 11.561 3.712 -3.775 162 HA VAL 23 HA VAL 23 11.987 6.182 -2.501 163 HB VAL 23 HB VAL 23 12.286 5.868 -4.928 164 HG11 VAL 23 HG11 VAL 23 9.267 5.970 -5.125 165 HG12 VAL 23 HG12 VAL 23 10.163 4.451 -5.119 166 HG13 VAL 23 HG13 VAL 23 10.424 5.624 -6.411 167 HG21 VAL 23 HG21 VAL 23 10.146 7.954 -4.419 168 HG22 VAL 23 HG22 VAL 23 11.460 8.026 -5.593 169 HG23 VAL 23 HG23 VAL 23 11.811 8.142 -3.869 170 H ASN 24 HN ASN 24 10.584 7.883 -1.891 171 HA ASN 24 HA ASN 24 7.823 7.010 -1.215 172 HB2 ASN 24 HB2 ASN 24 9.092 9.579 -0.324 173 HB3 ASN 24 HB1 ASN 24 7.901 8.593 0.500 174 HD21 ASN 24 HD21 ASN 24 10.123 9.327 1.973 175 HD22 ASN 24 HD22 ASN 24 11.141 7.990 2.196 176 H GLN 25 HN GLN 25 7.125 7.305 -3.469 177 HA GLN 25 HA GLN 25 6.698 10.151 -4.241 178 HB2 GLN 25 HB2 GLN 25 6.614 9.333 -6.539 179 HB3 GLN 25 HB1 GLN 25 8.163 8.958 -5.802 180 HG2 GLN 25 HG2 GLN 25 7.038 6.697 -5.172 181 HG3 GLN 25 HG1 GLN 25 5.859 7.122 -6.406 182 HE21 GLN 25 HE21 GLN 25 7.894 8.582 -8.017 183 HE22 GLN 25 HE22 GLN 25 8.813 7.376 -8.759 184 H HIS 26 HN HIS 26 4.608 10.710 -5.005 185 HA HIS 26 HA HIS 26 2.413 9.234 -3.895 186 HB2 HIS 26 HB2 HIS 26 2.205 11.302 -6.085 187 HB3 HIS 26 HB1 HIS 26 1.050 10.943 -4.807 188 HD1 HIS 26 HD1 HIS 26 4.739 11.975 -4.920 189 HD2 HIS 26 HD2 HIS 26 1.272 12.700 -2.791 190 HE1 HIS 26 HE1 HIS 26 5.331 13.643 -3.104 191 HE2 HIS 26 HE2 HIS 26 3.193 14.184 -1.880 192 H LEU 27 HN LEU 27 1.821 7.280 -4.721 193 HA LEU 27 HA LEU 27 2.086 6.746 -7.620 194 HB2 LEU 27 HB2 LEU 27 0.905 4.910 -5.538 195 HB3 LEU 27 HB1 LEU 27 1.591 4.482 -7.091 196 HG LEU 27 HG LEU 27 3.274 5.795 -4.951 197 HD11 LEU 27 HD11 LEU 27 2.264 3.707 -4.053 198 HD12 LEU 27 HD12 LEU 27 4.009 3.579 -4.269 199 HD13 LEU 27 HD13 LEU 27 2.920 2.830 -5.435 200 HD21 LEU 27 HD21 LEU 27 5.084 4.689 -6.234 201 HD22 LEU 27 HD22 LEU 27 4.152 5.788 -7.247 202 HD23 LEU 27 HD23 LEU 27 3.882 4.050 -7.354 203 H CYS 28 HN CYS 28 0.306 6.191 -8.925 204 HA CYS 28 HA CYS 28 -2.425 6.380 -7.882 205 HB2 CYS 28 HB2 CYS 28 -1.428 8.365 -9.950 206 HB3 CYS 28 HB1 CYS 28 -3.082 8.212 -9.373 207 H GLY 29 HN GLY 29 -3.913 6.323 -10.080 208 HA2 GLY 29 HA2 GLY 29 -4.539 4.845 -11.813 209 HA3 GLY 29 HA1 GLY 29 -2.944 5.215 -12.463 210 H SER 30 HN SER 30 -2.405 3.136 -13.133 211 HA SER 30 HA SER 30 -2.730 0.847 -11.351 212 HB2 SER 30 HB2 SER 30 -0.962 0.858 -13.791 213 HB3 SER 30 HB1 SER 30 -1.905 -0.467 -13.110 214 HG SER 30 HG SER 30 -2.973 0.351 -14.903 215 H ASP 31 HN ASP 31 -0.307 3.271 -11.821 216 HA ASP 31 HA ASP 31 2.097 1.985 -11.186 217 HB2 ASP 31 HB2 ASP 31 1.191 4.589 -9.912 218 HB3 ASP 31 HB1 ASP 31 2.849 4.070 -10.202 219 H LEU 32 HN LEU 32 -0.283 3.271 -8.881 220 HA LEU 32 HA LEU 32 0.878 2.349 -6.485 221 HB2 LEU 32 HB2 LEU 32 -1.022 3.838 -6.460 222 HB3 LEU 32 HB1 LEU 32 -2.011 2.675 -7.333 223 HG LEU 32 HG LEU 32 -1.988 1.156 -5.430 224 HD11 LEU 32 HD11 LEU 32 0.156 1.427 -4.457 225 HD12 LEU 32 HD12 LEU 32 -0.939 2.118 -3.262 226 HD13 LEU 32 HD13 LEU 32 -0.028 3.175 -4.331 227 HD21 LEU 32 HD21 LEU 32 -2.557 4.005 -4.576 228 HD22 LEU 32 HD22 LEU 32 -3.230 2.552 -3.853 229 HD23 LEU 32 HD23 LEU 32 -3.652 2.989 -5.505 230 H VAL 33 HN VAL 33 -1.631 0.706 -8.458 231 HA VAL 33 HA VAL 33 -1.704 -1.724 -7.033 232 HB VAL 33 HB VAL 33 -2.035 -1.130 -9.982 233 HG11 VAL 33 HG11 VAL 33 -2.157 -3.765 -8.508 234 HG12 VAL 33 HG12 VAL 33 -1.376 -3.399 -10.045 235 HG13 VAL 33 HG13 VAL 33 -3.133 -3.497 -9.952 236 HG21 VAL 33 HG21 VAL 33 -3.959 -1.864 -7.764 237 HG22 VAL 33 HG22 VAL 33 -4.406 -1.565 -9.444 238 HG23 VAL 33 HG23 VAL 33 -3.746 -0.258 -8.461 239 H GLU 34 HN GLU 34 0.157 -1.030 -9.970 240 HA GLU 34 HA GLU 34 1.613 -3.306 -10.249 241 HB2 GLU 34 HB2 GLU 34 1.898 -0.565 -11.045 242 HB3 GLU 34 HB1 GLU 34 3.494 -1.146 -10.590 243 HG2 GLU 34 HG2 GLU 34 3.224 -3.070 -12.121 244 HG3 GLU 34 HG1 GLU 34 1.624 -2.479 -12.573 245 H ALA 35 HN ALA 35 2.238 -0.725 -7.910 246 HA ALA 35 HA ALA 35 4.650 -1.784 -6.828 247 HB1 ALA 35 HB1 ALA 35 3.400 0.477 -6.348 248 HB2 ALA 35 HB2 ALA 35 4.324 -0.279 -5.052 249 HB3 ALA 35 HB3 ALA 35 2.568 -0.451 -5.100 250 H LEU 36 HN LEU 36 1.314 -2.149 -5.527 251 HA LEU 36 HA LEU 36 1.915 -4.179 -3.681 252 HB2 LEU 36 HB2 LEU 36 -0.553 -3.811 -5.396 253 HB3 LEU 36 HB1 LEU 36 -0.461 -4.956 -4.060 254 HG LEU 36 HG LEU 36 0.241 -2.055 -3.596 255 HD11 LEU 36 HD11 LEU 36 -1.992 -2.122 -4.700 256 HD12 LEU 36 HD12 LEU 36 -2.086 -1.604 -3.018 257 HD13 LEU 36 HD13 LEU 36 -2.538 -3.246 -3.459 258 HD21 LEU 36 HD21 LEU 36 -1.010 -4.206 -1.863 259 HD22 LEU 36 HD22 LEU 36 -0.523 -2.602 -1.327 260 HD23 LEU 36 HD23 LEU 36 0.692 -3.765 -1.837 261 H TYR 37 HN TYR 37 1.077 -4.457 -7.126 262 HA TYR 37 HA TYR 37 1.213 -7.286 -7.305 263 HB2 TYR 37 HB2 TYR 37 0.487 -5.585 -9.099 264 HB3 TYR 37 HB1 TYR 37 2.194 -5.386 -9.448 265 HD1 TYR 37 HD1 TYR 37 -0.718 -7.481 -9.892 266 HD2 TYR 37 HD2 TYR 37 3.572 -7.417 -10.105 267 HE1 TYR 37 HE1 TYR 37 -0.756 -9.538 -11.277 268 HE2 TYR 37 HE2 TYR 37 3.534 -9.474 -11.490 269 HH TYR 37 HH TYR 37 1.732 -11.499 -11.720 270 H LEU 38 HN LEU 38 3.623 -4.834 -6.934 271 HA LEU 38 HA LEU 38 5.895 -6.584 -7.576 272 HB2 LEU 38 HB2 LEU 38 5.581 -3.943 -7.802 273 HB3 LEU 38 HB1 LEU 38 6.113 -3.954 -6.136 274 HG LEU 38 HG LEU 38 8.078 -5.430 -7.007 275 HD11 LEU 38 HD11 LEU 38 7.105 -4.077 -9.545 276 HD12 LEU 38 HD12 LEU 38 7.222 -5.814 -9.271 277 HD13 LEU 38 HD13 LEU 38 8.683 -4.837 -9.360 278 HD21 LEU 38 HD21 LEU 38 9.278 -3.293 -7.681 279 HD22 LEU 38 HD22 LEU 38 8.428 -3.211 -6.138 280 HD23 LEU 38 HD23 LEU 38 7.718 -2.476 -7.575 281 H VAL 39 HN VAL 39 4.934 -4.711 -4.707 282 HA VAL 39 HA VAL 39 6.522 -5.987 -2.781 283 HB VAL 39 HB VAL 39 3.716 -4.888 -2.387 284 HG11 VAL 39 HG11 VAL 39 6.046 -4.865 -0.469 285 HG12 VAL 39 HG12 VAL 39 4.826 -6.138 -0.471 286 HG13 VAL 39 HG13 VAL 39 4.359 -4.473 -0.141 287 HG21 VAL 39 HG21 VAL 39 4.976 -2.779 -1.836 288 HG22 VAL 39 HG22 VAL 39 4.970 -3.220 -3.543 289 HG23 VAL 39 HG23 VAL 39 6.399 -3.520 -2.555 290 H CYS 40 HN CYS 40 3.080 -6.617 -3.451 291 HA CYS 40 HA CYS 40 3.012 -8.987 -1.831 292 HB2 CYS 40 HB2 CYS 40 1.110 -7.358 -2.765 293 HB3 CYS 40 HB1 CYS 40 1.021 -8.575 -4.032 294 H GLY 41 HN GLY 41 3.774 -8.421 -5.207 295 HA2 GLY 41 HA2 GLY 41 4.466 -9.922 -6.881 296 HA3 GLY 41 HA1 GLY 41 5.088 -10.893 -5.548 297 H GLU 42 HN GLU 42 4.372 -12.945 -5.900 298 HA GLU 42 HA GLU 42 1.753 -13.452 -7.110 299 HB2 GLU 42 HB2 GLU 42 3.871 -15.302 -6.008 300 HB3 GLU 42 HB1 GLU 42 2.398 -15.851 -6.804 301 HG2 GLU 42 HG2 GLU 42 3.077 -14.422 -8.793 302 HG3 GLU 42 HG1 GLU 42 4.640 -14.210 -8.003 303 H ARG 43 HN ARG 43 2.809 -12.816 -3.984 304 HA ARG 43 HA ARG 43 1.364 -14.636 -2.382 305 HB2 ARG 43 HB2 ARG 43 1.739 -11.684 -1.872 306 HB3 ARG 43 HB1 ARG 43 1.368 -12.898 -0.657 307 HG2 ARG 43 HG2 ARG 43 3.501 -14.001 -1.050 308 HG3 ARG 43 HG1 ARG 43 3.863 -12.893 -2.374 309 HD2 ARG 43 HD2 ARG 43 3.580 -11.002 -0.625 310 HD3 ARG 43 HD1 ARG 43 3.701 -12.288 0.580 311 HE ARG 43 HE ARG 43 5.873 -12.551 -1.248 312 HH11 ARG 43 HH11 ARG 43 7.912 -11.816 -0.601 313 HH12 ARG 43 HH12 ARG 43 8.034 -10.670 0.692 314 HH21 ARG 43 HH21 ARG 43 4.609 -10.494 1.212 315 HH22 ARG 43 HH22 ARG 43 6.163 -9.922 1.719 316 H GLY 44 HN GLY 44 0.293 -11.615 -3.868 317 HA2 GLY 44 HA2 GLY 44 -1.956 -11.370 -4.792 318 HA3 GLY 44 HA1 GLY 44 -2.539 -12.547 -3.616 319 H TYR 45 HN TYR 45 -2.861 -9.427 -4.296 320 HA TYR 45 HA TYR 45 -2.953 -8.571 -1.428 321 HB2 TYR 45 HB2 TYR 45 -2.575 -6.257 -2.262 322 HB3 TYR 45 HB1 TYR 45 -1.223 -7.302 -2.632 323 HD1 TYR 45 HD1 TYR 45 -3.739 -5.136 -4.008 324 HD2 TYR 45 HD2 TYR 45 -1.144 -8.418 -4.909 325 HE1 TYR 45 HE1 TYR 45 -3.980 -4.653 -6.419 326 HE2 TYR 45 HE2 TYR 45 -1.385 -7.950 -7.336 327 HH TYR 45 HH TYR 45 -2.389 -6.702 -8.871 328 H PHE 46 HN PHE 46 -4.517 -6.558 -1.318 329 HA PHE 46 HA PHE 46 -6.976 -7.189 -2.927 330 HB2 PHE 46 HB2 PHE 46 -8.236 -7.410 -1.029 331 HB3 PHE 46 HB1 PHE 46 -6.699 -7.708 -0.249 332 HD1 PHE 46 HD1 PHE 46 -6.128 -6.405 1.597 333 HD2 PHE 46 HD2 PHE 46 -8.927 -4.874 -1.260 334 HE1 PHE 46 HE1 PHE 46 -6.508 -4.425 3.045 335 HE2 PHE 46 HE2 PHE 46 -9.318 -2.887 0.180 336 HZ PHE 46 HZ PHE 46 -8.106 -2.664 2.334 337 H TYR 47 HN TYR 47 -7.334 -5.551 -4.245 338 HA TYR 47 HA TYR 47 -6.950 -2.747 -3.247 339 HB2 TYR 47 HB2 TYR 47 -5.131 -3.379 -4.817 340 HB3 TYR 47 HB1 TYR 47 -6.343 -3.779 -6.036 341 HD1 TYR 47 HD1 TYR 47 -4.898 -1.026 -4.009 342 HD2 TYR 47 HD2 TYR 47 -7.502 -2.073 -7.262 343 HE1 TYR 47 HE1 TYR 47 -5.037 1.345 -4.661 344 HE2 TYR 47 HE2 TYR 47 -7.632 0.314 -7.922 345 HH TYR 47 HH TYR 47 -7.278 2.471 -7.088 346 H THR 48 HN THR 48 -9.028 -1.993 -3.075 347 HA THR 48 HA THR 48 -10.666 -1.759 -5.445 348 HB THR 48 HB THR 48 -11.337 -4.005 -5.128 349 HG1 THR 48 HG1 THR 48 -13.473 -3.701 -4.033 350 HG21 THR 48 HG21 THR 48 -12.139 -4.717 -2.766 351 HG22 THR 48 HG22 THR 48 -11.225 -3.322 -2.196 352 HG23 THR 48 HG23 THR 48 -10.404 -4.621 -3.061 353 H LYS 49 HN LYS 49 -12.729 -2.155 -2.833 354 HA LYS 49 HA LYS 49 -13.995 -0.543 -1.686 355 HB2 LYS 49 HB2 LYS 49 -11.148 0.287 -1.073 356 HB3 LYS 49 HB1 LYS 49 -12.562 0.892 -0.222 357 HG2 LYS 49 HG2 LYS 49 -12.165 -2.082 -0.453 358 HG3 LYS 49 HG1 LYS 49 -11.233 -1.184 0.741 359 HD2 LYS 49 HD2 LYS 49 -13.355 -0.255 1.661 360 HD3 LYS 49 HD1 LYS 49 -14.258 -1.246 0.516 361 HE2 LYS 49 HE2 LYS 49 -14.097 -2.334 2.738 362 HE3 LYS 49 HE1 LYS 49 -13.297 -3.284 1.486 363 HZ1 LYS 49 HZ1 LYS 49 -12.031 -2.954 3.622 364 HZ2 LYS 49 HZ2 LYS 49 -11.844 -1.327 3.167 365 HZ3 LYS 49 HZ3 LYS 49 -11.197 -2.563 2.198 366 HA PRO 50 HA PRO 50 -13.154 2.240 -5.588 367 HB2 PRO 50 HB2 PRO 50 -16.106 2.266 -5.176 368 HB3 PRO 50 HB1 PRO 50 -15.177 2.005 -6.664 369 HG2 PRO 50 HG2 PRO 50 -16.328 0.028 -4.927 370 HG3 PRO 50 HG1 PRO 50 -15.404 -0.233 -6.415 371 HD2 PRO 50 HD2 PRO 50 -14.517 -0.968 -3.901 372 HD3 PRO 50 HD1 PRO 50 -13.440 -0.630 -5.273 373 H THR 51 HN THR 51 -12.270 4.030 -4.496 374 HA THR 51 HA THR 51 -13.517 5.390 -2.309 375 HB THR 51 HB THR 51 -11.955 7.254 -2.889 376 HG1 THR 51 HG1 THR 51 -11.163 5.560 -5.012 377 HG21 THR 51 HG21 THR 51 -10.685 4.507 -3.055 378 HG22 THR 51 HG22 THR 51 -11.214 5.279 -1.560 379 HG23 THR 51 HG23 THR 51 -9.906 5.991 -2.504 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -9.161 5.827 2.085 2 H2 GLY 1 HT2 GLY 1 -8.157 5.283 3.342 3 H3 GLY 1 HT3 GLY 1 -9.671 4.556 3.088 4 HA2 GLY 1 HA2 GLY 1 -8.638 2.932 1.945 5 HA3 GLY 1 HA1 GLY 1 -8.355 4.228 0.745 6 H ILE 2 HN ILE 2 -6.742 2.368 0.391 7 HA ILE 2 HA ILE 2 -4.201 3.542 1.084 8 HB ILE 2 HB ILE 2 -4.466 1.150 0.469 9 HG12 ILE 2 HG12 ILE 2 -2.679 2.612 -1.490 10 HG13 ILE 2 HG11 ILE 2 -2.296 2.420 0.215 11 HG21 ILE 2 HG21 ILE 2 -6.158 1.452 -1.308 12 HG22 ILE 2 HG22 ILE 2 -4.775 0.527 -1.890 13 HG23 ILE 2 HG23 ILE 2 -4.946 2.221 -2.325 14 HD11 ILE 2 HD11 ILE 2 -1.400 0.414 -0.238 15 HD12 ILE 2 HD12 ILE 2 -1.869 0.553 -1.927 16 HD13 ILE 2 HD13 ILE 2 -2.973 -0.178 -0.766 17 H VAL 3 HN VAL 3 -6.383 3.861 -1.646 18 HA VAL 3 HA VAL 3 -4.725 5.184 -3.494 19 HB VAL 3 HB VAL 3 -7.602 5.933 -2.942 20 HG11 VAL 3 HG11 VAL 3 -5.914 5.738 -5.441 21 HG12 VAL 3 HG12 VAL 3 -6.447 7.223 -4.652 22 HG13 VAL 3 HG13 VAL 3 -7.628 6.152 -5.407 23 HG21 VAL 3 HG21 VAL 3 -7.627 3.550 -2.910 24 HG22 VAL 3 HG22 VAL 3 -6.455 3.449 -4.222 25 HG23 VAL 3 HG23 VAL 3 -8.095 4.008 -4.546 26 H GLU 4 HN GLU 4 -6.535 6.478 -0.747 27 HA GLU 4 HA GLU 4 -5.965 9.229 -1.307 28 HB2 GLU 4 HB2 GLU 4 -6.586 7.877 1.329 29 HB3 GLU 4 HB1 GLU 4 -6.661 9.615 1.032 30 HG2 GLU 4 HG2 GLU 4 -8.215 7.686 -0.704 31 HG3 GLU 4 HG1 GLU 4 -8.865 8.243 0.839 32 H GLN 5 HN GLN 5 -4.515 7.126 1.183 33 HA GLN 5 HA GLN 5 -2.499 8.952 1.963 34 HB2 GLN 5 HB2 GLN 5 -2.268 5.936 1.990 35 HB3 GLN 5 HB1 GLN 5 -1.441 7.078 3.049 36 HG2 GLN 5 HG2 GLN 5 -3.651 7.822 3.920 37 HG3 GLN 5 HG1 GLN 5 -4.430 6.596 2.920 38 HE21 GLN 5 HE21 GLN 5 -1.533 5.244 3.790 39 HE22 GLN 5 HE22 GLN 5 -2.009 4.423 5.197 40 H CYS 6 HN CYS 6 -2.489 6.604 -0.716 41 HA CYS 6 HA CYS 6 0.360 7.168 -1.242 42 HB2 CYS 6 HB2 CYS 6 -1.503 5.438 -2.846 43 HB3 CYS 6 HB1 CYS 6 0.245 5.340 -2.726 44 H CYS 7 HN CYS 7 -2.800 7.958 -2.655 45 HA CYS 7 HA CYS 7 -1.453 9.169 -5.013 46 HB2 CYS 7 HB2 CYS 7 -3.639 7.830 -5.152 47 HB3 CYS 7 HB1 CYS 7 -4.414 9.218 -4.411 48 H THR 8 HN THR 8 -3.945 10.293 -2.702 49 HA THR 8 HA THR 8 -3.609 13.050 -3.202 50 HB THR 8 HB THR 8 -4.188 11.875 -0.471 51 HG1 THR 8 HG1 THR 8 -5.405 10.789 -2.101 52 HG21 THR 8 HG21 THR 8 -4.036 14.286 -0.589 53 HG22 THR 8 HG22 THR 8 -5.725 13.822 -0.384 54 HG23 THR 8 HG23 THR 8 -5.134 14.323 -1.968 55 H SER 9 HN SER 9 -1.490 10.801 -1.883 56 HA SER 9 HA SER 9 0.442 12.875 -1.163 57 HB2 SER 9 HB2 SER 9 -0.376 10.931 0.990 58 HB3 SER 9 HB1 SER 9 0.514 12.439 1.153 59 HG SER 9 HG SER 9 -1.495 12.977 1.743 60 H ILE 10 HN ILE 10 1.927 10.948 0.538 61 HA ILE 10 HA ILE 10 2.671 8.891 -1.520 62 HB ILE 10 HB ILE 10 4.490 10.433 0.354 63 HG12 ILE 10 HG12 ILE 10 4.392 10.527 -2.662 64 HG13 ILE 10 HG11 ILE 10 3.478 11.639 -1.657 65 HG21 ILE 10 HG21 ILE 10 5.006 8.302 -1.739 66 HG22 ILE 10 HG22 ILE 10 5.400 8.228 -0.021 67 HG23 ILE 10 HG23 ILE 10 6.270 9.337 -1.079 68 HD11 ILE 10 HD11 ILE 10 5.737 12.504 -2.372 69 HD12 ILE 10 HD12 ILE 10 6.457 11.232 -1.385 70 HD13 ILE 10 HD13 ILE 10 5.476 12.488 -0.629 71 H CYS 11 HN CYS 11 2.875 6.830 -0.752 72 HA CYS 11 HA CYS 11 2.262 6.382 2.138 73 HB2 CYS 11 HB2 CYS 11 2.047 4.649 -0.330 74 HB3 CYS 11 HB1 CYS 11 1.897 3.985 1.295 75 H SER 12 HN SER 12 3.319 4.277 2.982 76 HA SER 12 HA SER 12 6.221 4.209 2.211 77 HB2 SER 12 HB2 SER 12 4.910 3.936 4.924 78 HB3 SER 12 HB1 SER 12 6.586 3.501 4.614 79 HG SER 12 HG SER 12 5.445 6.035 4.033 80 H LEU 13 HN LEU 13 7.161 2.149 2.091 81 HA LEU 13 HA LEU 13 5.744 0.023 1.083 82 HB2 LEU 13 HB2 LEU 13 8.357 0.470 1.701 83 HB3 LEU 13 HB1 LEU 13 7.976 -0.708 2.946 84 HG LEU 13 HG LEU 13 7.102 -2.238 1.171 85 HD11 LEU 13 HD11 LEU 13 6.525 -1.120 -0.748 86 HD12 LEU 13 HD12 LEU 13 8.196 -1.440 -1.192 87 HD13 LEU 13 HD13 LEU 13 7.748 0.129 -0.526 88 HD21 LEU 13 HD21 LEU 13 9.958 -1.249 0.944 89 HD22 LEU 13 HD22 LEU 13 9.385 -2.759 0.237 90 HD23 LEU 13 HD23 LEU 13 9.360 -2.540 1.987 91 H TYR 14 HN TYR 14 6.141 0.826 4.514 92 HA TYR 14 HA TYR 14 5.095 -1.666 5.495 93 HB2 TYR 14 HB2 TYR 14 5.535 -0.725 7.523 94 HB3 TYR 14 HB1 TYR 14 6.102 0.689 6.643 95 HD1 TYR 14 HD1 TYR 14 5.012 2.737 6.935 96 HD2 TYR 14 HD2 TYR 14 2.986 -0.871 7.988 97 HE1 TYR 14 HE1 TYR 14 3.173 4.077 7.927 98 HE2 TYR 14 HE2 TYR 14 1.140 0.446 8.984 99 HH TYR 14 HH TYR 14 0.540 3.526 8.359 100 H GLN 15 HN GLN 15 3.559 1.302 4.385 101 HA GLN 15 HA GLN 15 0.903 0.466 5.220 102 HB2 GLN 15 HB2 GLN 15 1.613 2.538 3.119 103 HB3 GLN 15 HB1 GLN 15 0.123 2.419 4.046 104 HG2 GLN 15 HG2 GLN 15 1.283 2.966 6.099 105 HG3 GLN 15 HG1 GLN 15 2.840 2.918 5.273 106 HE21 GLN 15 HE21 GLN 15 0.766 4.183 3.040 107 HE22 GLN 15 HE22 GLN 15 0.970 5.836 3.357 108 H LEU 16 HN LEU 16 2.910 0.250 2.346 109 HA LEU 16 HA LEU 16 0.819 -0.693 0.597 110 HB2 LEU 16 HB2 LEU 16 3.268 0.347 0.177 111 HB3 LEU 16 HB1 LEU 16 3.710 -1.347 0.113 112 HG LEU 16 HG LEU 16 2.052 -1.722 -1.660 113 HD11 LEU 16 HD11 LEU 16 0.303 -0.280 -1.630 114 HD12 LEU 16 HD12 LEU 16 1.312 0.713 -2.667 115 HD13 LEU 16 HD13 LEU 16 1.245 1.033 -0.934 116 HD21 LEU 16 HD21 LEU 16 3.387 0.564 -2.895 117 HD22 LEU 16 HD22 LEU 16 3.605 -1.153 -3.180 118 HD23 LEU 16 HD23 LEU 16 4.494 -0.357 -1.884 119 H GLU 17 HN GLU 17 3.516 -2.294 2.297 120 HA GLU 17 HA GLU 17 2.825 -4.958 1.514 121 HB2 GLU 17 HB2 GLU 17 4.133 -4.035 4.100 122 HB3 GLU 17 HB1 GLU 17 4.195 -5.669 3.439 123 HG2 GLU 17 HG2 GLU 17 5.626 -5.059 1.695 124 HG3 GLU 17 HG1 GLU 17 5.142 -3.364 1.750 125 H ASN 18 HN ASN 18 1.529 -2.740 3.783 126 HA ASN 18 HA ASN 18 0.231 -4.529 5.592 127 HB2 ASN 18 HB2 ASN 18 0.287 -1.683 4.994 128 HB3 ASN 18 HB1 ASN 18 -1.325 -2.165 5.438 129 HD21 ASN 18 HD21 ASN 18 0.927 -0.617 6.885 130 HD22 ASN 18 HD22 ASN 18 0.955 -1.379 8.393 131 H TYR 19 HN TYR 19 -0.772 -3.290 2.401 132 HA TYR 19 HA TYR 19 -3.458 -4.506 2.694 133 HB2 TYR 19 HB2 TYR 19 -2.110 -3.145 0.344 134 HB3 TYR 19 HB1 TYR 19 -3.774 -3.729 0.341 135 HD1 TYR 19 HD1 TYR 19 -5.461 -2.722 1.912 136 HD2 TYR 19 HD2 TYR 19 -1.501 -1.153 1.466 137 HE1 TYR 19 HE1 TYR 19 -6.175 -0.614 3.020 138 HE2 TYR 19 HE2 TYR 19 -2.199 0.952 2.586 139 HH TYR 19 HH TYR 19 -4.341 1.435 4.414 140 H CYS 20 HN CYS 20 -0.437 -5.675 2.104 141 HA CYS 20 HA CYS 20 -1.351 -7.755 0.174 142 HB2 CYS 20 HB2 CYS 20 0.669 -6.729 -0.549 143 HB3 CYS 20 HB1 CYS 20 1.382 -6.837 1.061 144 H ASN 21 HN ASN 21 -1.198 -9.942 0.714 145 HA ASN 21 HA ASN 21 -1.637 -10.665 3.429 146 HB2 ASN 21 HB2 ASN 21 -0.964 -12.186 0.912 147 HB3 ASN 21 HB1 ASN 21 -1.078 -13.020 2.453 148 HD21 ASN 21 HD21 ASN 21 -2.918 -13.469 0.261 149 HD22 ASN 21 HD22 ASN 21 -4.453 -12.963 0.776 150 H1 PHE 22 HT1 PHE 22 12.152 0.749 -0.386 151 H2 PHE 22 HT2 PHE 22 12.266 2.402 -0.008 152 H3 PHE 22 HT3 PHE 22 13.337 1.708 -1.130 153 HA PHE 22 HA PHE 22 11.741 1.514 -2.770 154 HB2 PHE 22 HB2 PHE 22 10.089 0.748 -0.729 155 HB3 PHE 22 HB1 PHE 22 9.425 2.344 -1.062 156 HD1 PHE 22 HD1 PHE 22 8.096 2.740 -3.010 157 HD2 PHE 22 HD2 PHE 22 10.305 -0.924 -2.612 158 HE1 PHE 22 HE1 PHE 22 6.919 1.813 -4.986 159 HE2 PHE 22 HE2 PHE 22 9.127 -1.849 -4.586 160 HZ PHE 22 HZ PHE 22 7.433 -0.481 -5.774 161 H VAL 23 HN VAL 23 10.649 3.341 -3.924 162 HA VAL 23 HA VAL 23 11.836 5.892 -3.101 163 HB VAL 23 HB VAL 23 11.722 5.181 -5.502 164 HG11 VAL 23 HG11 VAL 23 9.364 4.201 -5.191 165 HG12 VAL 23 HG12 VAL 23 9.635 5.132 -6.664 166 HG13 VAL 23 HG13 VAL 23 8.777 5.860 -5.307 167 HG21 VAL 23 HG21 VAL 23 11.123 7.382 -6.329 168 HG22 VAL 23 HG22 VAL 23 11.876 7.587 -4.747 169 HG23 VAL 23 HG23 VAL 23 10.123 7.691 -4.908 170 H ASN 24 HN ASN 24 10.630 7.806 -2.659 171 HA ASN 24 HA ASN 24 7.914 7.292 -1.542 172 HB2 ASN 24 HB2 ASN 24 9.442 9.839 -1.130 173 HB3 ASN 24 HB1 ASN 24 8.336 9.023 -0.048 174 HD21 ASN 24 HD21 ASN 24 10.832 9.832 0.942 175 HD22 ASN 24 HD22 ASN 24 11.783 8.461 1.235 176 H GLN 25 HN GLN 25 6.748 7.443 -3.494 177 HA GLN 25 HA GLN 25 6.554 10.195 -4.646 178 HB2 GLN 25 HB2 GLN 25 7.929 8.677 -6.117 179 HB3 GLN 25 HB1 GLN 25 6.515 7.640 -6.286 180 HG2 GLN 25 HG2 GLN 25 5.276 9.762 -7.086 181 HG3 GLN 25 HG1 GLN 25 6.877 10.472 -7.247 182 HE21 GLN 25 HE21 GLN 25 8.180 7.956 -7.982 183 HE22 GLN 25 HE22 GLN 25 7.683 7.614 -9.558 184 H HIS 26 HN HIS 26 4.463 10.775 -5.343 185 HA HIS 26 HA HIS 26 2.279 9.406 -4.040 186 HB2 HIS 26 HB2 HIS 26 2.126 11.487 -6.241 187 HB3 HIS 26 HB1 HIS 26 0.870 11.081 -5.082 188 HD1 HIS 26 HD1 HIS 26 0.706 12.749 -3.259 189 HD2 HIS 26 HD2 HIS 26 4.633 12.377 -4.615 190 HE1 HIS 26 HE1 HIS 26 2.097 14.369 -1.894 191 HE2 HIS 26 HE2 HIS 26 4.481 14.168 -2.730 192 H LEU 27 HN LEU 27 1.666 7.413 -4.845 193 HA LEU 27 HA LEU 27 1.792 6.914 -7.756 194 HB2 LEU 27 HB2 LEU 27 0.846 5.018 -5.610 195 HB3 LEU 27 HB1 LEU 27 1.435 4.628 -7.212 196 HG LEU 27 HG LEU 27 3.212 6.026 -5.203 197 HD11 LEU 27 HD11 LEU 27 2.384 3.916 -4.202 198 HD12 LEU 27 HD12 LEU 27 4.103 3.836 -4.587 199 HD13 LEU 27 HD13 LEU 27 2.927 3.043 -5.635 200 HD21 LEU 27 HD21 LEU 27 3.942 6.053 -7.533 201 HD22 LEU 27 HD22 LEU 27 3.705 4.309 -7.651 202 HD23 LEU 27 HD23 LEU 27 4.967 4.960 -6.605 203 H CYS 28 HN CYS 28 -0.034 6.320 -8.949 204 HA CYS 28 HA CYS 28 -2.701 6.356 -7.742 205 HB2 CYS 28 HB2 CYS 28 -1.966 8.413 -9.850 206 HB3 CYS 28 HB1 CYS 28 -3.534 8.205 -9.082 207 H GLY 29 HN GLY 29 -4.312 6.274 -9.850 208 HA2 GLY 29 HA2 GLY 29 -4.967 4.816 -11.586 209 HA3 GLY 29 HA1 GLY 29 -3.426 5.265 -12.311 210 H SER 30 HN SER 30 -2.887 3.205 -13.070 211 HA SER 30 HA SER 30 -3.019 0.870 -11.340 212 HB2 SER 30 HB2 SER 30 -1.346 1.013 -13.842 213 HB3 SER 30 HB1 SER 30 -2.226 -0.360 -13.171 214 HG SER 30 HG SER 30 -3.345 0.525 -14.930 215 H ASP 31 HN ASP 31 -0.694 3.389 -11.868 216 HA ASP 31 HA ASP 31 1.770 2.175 -11.332 217 HB2 ASP 31 HB2 ASP 31 0.834 4.733 -9.990 218 HB3 ASP 31 HB1 ASP 31 2.492 4.278 -10.375 219 H LEU 32 HN LEU 32 -0.450 3.479 -8.876 220 HA LEU 32 HA LEU 32 0.785 2.506 -6.556 221 HB2 LEU 32 HB2 LEU 32 -1.123 3.984 -6.440 222 HB3 LEU 32 HB1 LEU 32 -2.139 2.821 -7.286 223 HG LEU 32 HG LEU 32 -2.066 1.298 -5.407 224 HD11 LEU 32 HD11 LEU 32 0.135 1.502 -4.547 225 HD12 LEU 32 HD12 LEU 32 -0.884 2.178 -3.278 226 HD13 LEU 32 HD13 LEU 32 -0.007 3.250 -4.366 227 HD21 LEU 32 HD21 LEU 32 -3.206 2.679 -3.750 228 HD22 LEU 32 HD22 LEU 32 -3.674 3.196 -5.367 229 HD23 LEU 32 HD23 LEU 32 -2.508 4.134 -4.446 230 H VAL 33 HN VAL 33 -1.793 0.872 -8.444 231 HA VAL 33 HA VAL 33 -1.839 -1.569 -7.055 232 HB VAL 33 HB VAL 33 -2.202 -0.933 -9.991 233 HG11 VAL 33 HG11 VAL 33 -3.259 -3.329 -9.994 234 HG12 VAL 33 HG12 VAL 33 -2.233 -3.605 -8.586 235 HG13 VAL 33 HG13 VAL 33 -1.508 -3.181 -10.135 236 HG21 VAL 33 HG21 VAL 33 -4.117 -1.806 -7.815 237 HG22 VAL 33 HG22 VAL 33 -4.551 -1.363 -9.466 238 HG23 VAL 33 HG23 VAL 33 -3.897 -0.146 -8.370 239 H GLU 34 HN GLU 34 -0.019 -0.885 -10.020 240 HA GLU 34 HA GLU 34 1.450 -3.147 -10.308 241 HB2 GLU 34 HB2 GLU 34 2.042 -0.259 -10.764 242 HB3 GLU 34 HB1 GLU 34 3.364 -1.398 -10.966 243 HG2 GLU 34 HG2 GLU 34 1.967 -2.704 -12.553 244 HG3 GLU 34 HG1 GLU 34 0.687 -1.504 -12.382 245 H ALA 35 HN ALA 35 2.144 -0.507 -8.040 246 HA ALA 35 HA ALA 35 4.564 -1.541 -6.977 247 HB1 ALA 35 HB1 ALA 35 2.460 -0.182 -5.287 248 HB2 ALA 35 HB2 ALA 35 3.374 0.718 -6.497 249 HB3 ALA 35 HB3 ALA 35 4.215 -0.061 -5.158 250 H LEU 36 HN LEU 36 1.260 -1.910 -5.608 251 HA LEU 36 HA LEU 36 1.886 -3.912 -3.742 252 HB2 LEU 36 HB2 LEU 36 -0.589 -3.553 -5.449 253 HB3 LEU 36 HB1 LEU 36 -0.493 -4.711 -4.123 254 HG LEU 36 HG LEU 36 0.220 -1.818 -3.627 255 HD11 LEU 36 HD11 LEU 36 -1.935 -1.621 -4.658 256 HD12 LEU 36 HD12 LEU 36 -2.198 -1.542 -2.916 257 HD13 LEU 36 HD13 LEU 36 -2.542 -3.028 -3.791 258 HD21 LEU 36 HD21 LEU 36 -0.598 -2.395 -1.372 259 HD22 LEU 36 HD22 LEU 36 0.649 -3.527 -1.880 260 HD23 LEU 36 HD23 LEU 36 -1.043 -3.999 -1.940 261 H TYR 37 HN TYR 37 0.931 -4.270 -7.153 262 HA TYR 37 HA TYR 37 1.126 -7.083 -7.329 263 HB2 TYR 37 HB2 TYR 37 0.376 -5.367 -9.123 264 HB3 TYR 37 HB1 TYR 37 2.080 -5.212 -9.505 265 HD1 TYR 37 HD1 TYR 37 -0.865 -7.357 -9.712 266 HD2 TYR 37 HD2 TYR 37 3.384 -7.174 -10.320 267 HE1 TYR 37 HE1 TYR 37 -0.970 -9.428 -11.073 268 HE2 TYR 37 HE2 TYR 37 3.279 -9.246 -11.679 269 HH TYR 37 HH TYR 37 0.167 -10.881 -12.298 270 H LEU 38 HN LEU 38 3.527 -4.605 -7.022 271 HA LEU 38 HA LEU 38 5.792 -6.344 -7.701 272 HB2 LEU 38 HB2 LEU 38 5.436 -3.689 -7.903 273 HB3 LEU 38 HB1 LEU 38 6.073 -3.716 -6.277 274 HG LEU 38 HG LEU 38 8.006 -5.122 -7.228 275 HD11 LEU 38 HD11 LEU 38 8.402 -4.496 -9.690 276 HD12 LEU 38 HD12 LEU 38 6.688 -4.098 -9.756 277 HD13 LEU 38 HD13 LEU 38 7.199 -5.743 -9.388 278 HD21 LEU 38 HD21 LEU 38 8.226 -2.790 -6.522 279 HD22 LEU 38 HD22 LEU 38 7.568 -2.240 -8.062 280 HD23 LEU 38 HD23 LEU 38 9.139 -3.041 -8.010 281 H VAL 39 HN VAL 39 4.891 -4.465 -4.814 282 HA VAL 39 HA VAL 39 6.543 -5.691 -2.922 283 HB VAL 39 HB VAL 39 3.708 -4.674 -2.496 284 HG11 VAL 39 HG11 VAL 39 6.042 -4.690 -0.579 285 HG12 VAL 39 HG12 VAL 39 4.784 -5.927 -0.583 286 HG13 VAL 39 HG13 VAL 39 4.371 -4.250 -0.239 287 HG21 VAL 39 HG21 VAL 39 6.370 -3.262 -2.625 288 HG22 VAL 39 HG22 VAL 39 4.932 -2.556 -1.901 289 HG23 VAL 39 HG23 VAL 39 4.942 -2.967 -3.615 290 H CYS 40 HN CYS 40 3.133 -6.482 -3.572 291 HA CYS 40 HA CYS 40 3.219 -8.859 -1.940 292 HB2 CYS 40 HB2 CYS 40 1.221 -7.277 -2.791 293 HB3 CYS 40 HB1 CYS 40 1.105 -8.523 -4.028 294 H GLY 41 HN GLY 41 3.743 -8.246 -5.371 295 HA2 GLY 41 HA2 GLY 41 4.319 -9.750 -7.096 296 HA3 GLY 41 HA1 GLY 41 5.183 -10.608 -5.822 297 H GLU 42 HN GLU 42 4.561 -12.699 -5.638 298 HA GLU 42 HA GLU 42 2.018 -13.587 -6.786 299 HB2 GLU 42 HB2 GLU 42 4.147 -15.151 -5.325 300 HB3 GLU 42 HB1 GLU 42 2.810 -15.842 -6.242 301 HG2 GLU 42 HG2 GLU 42 3.662 -14.610 -8.268 302 HG3 GLU 42 HG1 GLU 42 5.080 -14.150 -7.324 303 H ARG 43 HN ARG 43 3.086 -12.629 -3.667 304 HA ARG 43 HA ARG 43 1.575 -14.276 -1.960 305 HB2 ARG 43 HB2 ARG 43 2.287 -11.359 -1.777 306 HB3 ARG 43 HB1 ARG 43 1.351 -12.143 -0.515 307 HG2 ARG 43 HG2 ARG 43 3.164 -13.805 -0.233 308 HG3 ARG 43 HG1 ARG 43 4.103 -12.972 -1.473 309 HD2 ARG 43 HD2 ARG 43 3.681 -10.845 0.057 310 HD3 ARG 43 HD1 ARG 43 3.417 -12.064 1.309 311 HE ARG 43 HE ARG 43 5.815 -12.783 0.047 312 HH11 ARG 43 HH11 ARG 43 7.807 -12.115 0.879 313 HH12 ARG 43 HH12 ARG 43 7.881 -10.717 1.898 314 HH21 ARG 43 HH21 ARG 43 4.474 -10.093 1.738 315 HH22 ARG 43 HH22 ARG 43 5.994 -9.573 2.385 316 H GLY 44 HN GLY 44 0.532 -11.367 -3.686 317 HA2 GLY 44 HA2 GLY 44 -1.685 -11.170 -4.675 318 HA3 GLY 44 HA1 GLY 44 -2.290 -12.328 -3.492 319 H TYR 45 HN TYR 45 -2.636 -9.237 -4.277 320 HA TYR 45 HA TYR 45 -2.878 -8.290 -1.442 321 HB2 TYR 45 HB2 TYR 45 -2.479 -6.012 -2.307 322 HB3 TYR 45 HB1 TYR 45 -1.119 -7.044 -2.688 323 HD1 TYR 45 HD1 TYR 45 -3.741 -4.972 -4.051 324 HD2 TYR 45 HD2 TYR 45 -1.004 -8.138 -4.945 325 HE1 TYR 45 HE1 TYR 45 -4.028 -4.529 -6.467 326 HE2 TYR 45 HE2 TYR 45 -1.290 -7.712 -7.373 327 HH TYR 45 HH TYR 45 -2.053 -6.162 -8.883 328 H PHE 46 HN PHE 46 -4.511 -6.330 -1.474 329 HA PHE 46 HA PHE 46 -6.855 -7.059 -3.213 330 HB2 PHE 46 HB2 PHE 46 -7.031 -6.083 -0.366 331 HB3 PHE 46 HB1 PHE 46 -8.335 -6.706 -1.367 332 HD1 PHE 46 HD1 PHE 46 -5.154 -7.645 0.330 333 HD2 PHE 46 HD2 PHE 46 -8.760 -9.040 -1.543 334 HE1 PHE 46 HE1 PHE 46 -4.671 -9.949 1.113 335 HE2 PHE 46 HE2 PHE 46 -8.277 -11.343 -0.760 336 HZ PHE 46 HZ PHE 46 -6.232 -11.798 0.568 337 H TYR 47 HN TYR 47 -7.168 -5.402 -4.534 338 HA TYR 47 HA TYR 47 -7.041 -2.602 -3.456 339 HB2 TYR 47 HB2 TYR 47 -5.066 -3.122 -4.902 340 HB3 TYR 47 HB1 TYR 47 -6.172 -3.506 -6.222 341 HD1 TYR 47 HD1 TYR 47 -4.938 -0.820 -4.001 342 HD2 TYR 47 HD2 TYR 47 -7.344 -1.774 -7.426 343 HE1 TYR 47 HE1 TYR 47 -5.101 1.578 -4.553 344 HE2 TYR 47 HE2 TYR 47 -7.503 0.638 -7.984 345 HH TYR 47 HH TYR 47 -6.019 2.741 -7.483 346 H THR 48 HN THR 48 -9.222 -2.105 -3.409 347 HA THR 48 HA THR 48 -10.704 -1.619 -5.765 348 HB THR 48 HB THR 48 -10.936 -3.972 -6.192 349 HG1 THR 48 HG1 THR 48 -12.922 -2.482 -5.803 350 HG21 THR 48 HG21 THR 48 -11.919 -4.375 -3.360 351 HG22 THR 48 HG22 THR 48 -10.238 -4.634 -3.820 352 HG23 THR 48 HG23 THR 48 -11.510 -5.608 -4.548 353 H LYS 49 HN LYS 49 -12.033 -0.039 -5.065 354 HA LYS 49 HA LYS 49 -13.166 1.339 -3.508 355 HB2 LYS 49 HB2 LYS 49 -14.587 -1.260 -2.903 356 HB3 LYS 49 HB1 LYS 49 -15.250 0.372 -2.889 357 HG2 LYS 49 HG2 LYS 49 -14.926 0.552 -5.317 358 HG3 LYS 49 HG1 LYS 49 -14.222 -1.065 -5.352 359 HD2 LYS 49 HD2 LYS 49 -16.349 -1.989 -4.460 360 HD3 LYS 49 HD1 LYS 49 -17.052 -0.372 -4.512 361 HE2 LYS 49 HE2 LYS 49 -16.977 -0.287 -6.876 362 HE3 LYS 49 HE1 LYS 49 -15.835 -1.629 -6.974 363 HZ1 LYS 49 HZ1 LYS 49 -18.105 -2.289 -7.550 364 HZ2 LYS 49 HZ2 LYS 49 -18.632 -1.841 -5.998 365 HZ3 LYS 49 HZ3 LYS 49 -17.533 -3.122 -6.188 366 HA PRO 50 HA PRO 50 -10.276 -0.615 -0.114 367 HB2 PRO 50 HB2 PRO 50 -10.117 2.345 0.233 368 HB3 PRO 50 HB1 PRO 50 -8.816 1.141 0.204 369 HG2 PRO 50 HG2 PRO 50 -9.713 2.803 -1.946 370 HG3 PRO 50 HG1 PRO 50 -8.448 1.564 -1.987 371 HD2 PRO 50 HD2 PRO 50 -10.850 1.391 -3.368 372 HD3 PRO 50 HD1 PRO 50 -9.849 -0.006 -2.914 373 H THR 51 HN THR 51 -12.002 2.465 0.487 374 HA THR 51 HA THR 51 -12.995 1.411 3.044 375 HB THR 51 HB THR 51 -13.733 3.633 3.480 376 HG1 THR 51 HG1 THR 51 -14.699 4.593 1.902 377 HG21 THR 51 HG21 THR 51 -11.323 3.949 1.674 378 HG22 THR 51 HG22 THR 51 -11.240 3.295 3.310 379 HG23 THR 51 HG23 THR 51 -11.763 4.960 3.051 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 -10.366 4.486 1.943 2 H2 GLY 1 HT2 GLY 1 -9.002 5.484 2.115 3 H3 GLY 1 HT3 GLY 1 -9.229 4.165 3.162 4 HA2 GLY 1 HA2 GLY 1 -8.972 2.518 1.380 5 HA3 GLY 1 HA1 GLY 1 -8.667 3.917 0.311 6 H ILE 2 HN ILE 2 -6.924 2.159 -0.016 7 HA ILE 2 HA ILE 2 -4.511 3.422 0.941 8 HB ILE 2 HB ILE 2 -4.618 1.054 0.199 9 HG12 ILE 2 HG12 ILE 2 -2.738 2.694 -1.524 10 HG13 ILE 2 HG11 ILE 2 -2.484 2.395 0.191 11 HG21 ILE 2 HG21 ILE 2 -4.692 0.548 -2.213 12 HG22 ILE 2 HG22 ILE 2 -4.927 2.253 -2.571 13 HG23 ILE 2 HG23 ILE 2 -6.165 1.365 -1.695 14 HD11 ILE 2 HD11 ILE 2 -1.951 0.643 -2.082 15 HD12 ILE 2 HD12 ILE 2 -2.941 -0.166 -0.871 16 HD13 ILE 2 HD13 ILE 2 -1.383 0.523 -0.422 17 H VAL 3 HN VAL 3 -6.511 3.788 -1.914 18 HA VAL 3 HA VAL 3 -4.776 5.304 -3.560 19 HB VAL 3 HB VAL 3 -7.752 5.743 -3.251 20 HG11 VAL 3 HG11 VAL 3 -7.592 6.169 -5.669 21 HG12 VAL 3 HG12 VAL 3 -5.853 5.883 -5.597 22 HG13 VAL 3 HG13 VAL 3 -6.556 7.261 -4.750 23 HG21 VAL 3 HG21 VAL 3 -7.895 3.897 -5.001 24 HG22 VAL 3 HG22 VAL 3 -7.500 3.370 -3.365 25 HG23 VAL 3 HG23 VAL 3 -6.230 3.498 -4.581 26 H GLU 4 HN GLU 4 -6.880 6.259 -0.915 27 HA GLU 4 HA GLU 4 -6.630 9.082 -1.287 28 HB2 GLU 4 HB2 GLU 4 -7.164 7.521 1.248 29 HB3 GLU 4 HB1 GLU 4 -7.478 9.241 1.019 30 HG2 GLU 4 HG2 GLU 4 -8.672 7.243 -0.908 31 HG3 GLU 4 HG1 GLU 4 -9.426 7.507 0.662 32 H GLN 5 HN GLN 5 -4.854 6.877 0.879 33 HA GLN 5 HA GLN 5 -3.160 9.028 1.857 34 HB2 GLN 5 HB2 GLN 5 -1.827 7.044 2.821 35 HB3 GLN 5 HB1 GLN 5 -3.486 7.255 3.375 36 HG2 GLN 5 HG2 GLN 5 -4.289 5.526 1.932 37 HG3 GLN 5 HG1 GLN 5 -2.757 5.449 1.064 38 HE21 GLN 5 HE21 GLN 5 -1.938 5.927 4.249 39 HE22 GLN 5 HE22 GLN 5 -1.741 4.313 4.735 40 H CYS 6 HN CYS 6 -2.674 6.423 -0.548 41 HA CYS 6 HA CYS 6 0.108 7.200 -0.946 42 HB2 CYS 6 HB2 CYS 6 -1.574 5.383 -2.654 43 HB3 CYS 6 HB1 CYS 6 0.173 5.388 -2.479 44 H CYS 7 HN CYS 7 -2.944 7.980 -2.548 45 HA CYS 7 HA CYS 7 -1.473 9.128 -4.847 46 HB2 CYS 7 HB2 CYS 7 -3.734 7.929 -5.025 47 HB3 CYS 7 HB1 CYS 7 -4.434 9.366 -4.315 48 H THR 8 HN THR 8 -3.792 10.358 -2.419 49 HA THR 8 HA THR 8 -3.274 13.115 -3.002 50 HB THR 8 HB THR 8 -4.114 12.038 -0.301 51 HG1 THR 8 HG1 THR 8 -5.729 12.412 -2.607 52 HG21 THR 8 HG21 THR 8 -3.729 14.448 -0.551 53 HG22 THR 8 HG22 THR 8 -5.434 14.093 -0.268 54 HG23 THR 8 HG23 THR 8 -4.872 14.489 -1.892 55 H SER 9 HN SER 9 -1.509 10.690 -1.402 56 HA SER 9 HA SER 9 0.585 12.606 -0.651 57 HB2 SER 9 HB2 SER 9 -0.449 10.805 1.523 58 HB3 SER 9 HB1 SER 9 0.456 12.307 1.665 59 HG SER 9 HG SER 9 -1.475 13.087 2.003 60 H ILE 10 HN ILE 10 2.508 11.293 0.294 61 HA ILE 10 HA ILE 10 2.844 8.903 -1.395 62 HB ILE 10 HB ILE 10 4.767 10.254 0.519 63 HG12 ILE 10 HG12 ILE 10 4.718 10.438 -2.496 64 HG13 ILE 10 HG11 ILE 10 3.861 11.582 -1.482 65 HG21 ILE 10 HG21 ILE 10 5.166 8.194 -1.677 66 HG22 ILE 10 HG22 ILE 10 5.435 7.951 0.049 67 HG23 ILE 10 HG23 ILE 10 6.476 9.044 -0.860 68 HD11 ILE 10 HD11 ILE 10 6.809 10.977 -1.194 69 HD12 ILE 10 HD12 ILE 10 5.904 12.257 -0.386 70 HD13 ILE 10 HD13 ILE 10 6.174 12.332 -2.128 71 H CYS 11 HN CYS 11 3.030 6.807 -0.653 72 HA CYS 11 HA CYS 11 2.292 6.326 2.206 73 HB2 CYS 11 HB2 CYS 11 2.000 4.742 -0.341 74 HB3 CYS 11 HB1 CYS 11 1.972 3.911 1.213 75 H SER 12 HN SER 12 3.281 4.148 3.013 76 HA SER 12 HA SER 12 6.204 4.061 2.322 77 HB2 SER 12 HB2 SER 12 4.812 3.685 4.980 78 HB3 SER 12 HB1 SER 12 6.496 3.262 4.700 79 HG SER 12 HG SER 12 5.675 5.789 3.885 80 H LEU 13 HN LEU 13 7.101 2.004 2.088 81 HA LEU 13 HA LEU 13 5.662 -0.058 0.989 82 HB2 LEU 13 HB2 LEU 13 8.275 0.330 1.594 83 HB3 LEU 13 HB1 LEU 13 7.898 -0.872 2.818 84 HG LEU 13 HG LEU 13 6.992 -2.356 1.019 85 HD11 LEU 13 HD11 LEU 13 6.401 -1.187 -0.866 86 HD12 LEU 13 HD12 LEU 13 8.062 -1.518 -1.339 87 HD13 LEU 13 HD13 LEU 13 7.643 0.043 -0.634 88 HD21 LEU 13 HD21 LEU 13 9.282 -2.635 1.826 89 HD22 LEU 13 HD22 LEU 13 9.852 -1.391 0.712 90 HD23 LEU 13 HD23 LEU 13 9.238 -2.922 0.086 91 H TYR 14 HN TYR 14 6.086 0.571 4.456 92 HA TYR 14 HA TYR 14 5.012 -1.942 5.332 93 HB2 TYR 14 HB2 TYR 14 5.426 -1.084 7.401 94 HB3 TYR 14 HB1 TYR 14 6.016 0.358 6.583 95 HD1 TYR 14 HD1 TYR 14 4.932 2.402 6.928 96 HD2 TYR 14 HD2 TYR 14 2.876 -1.226 7.838 97 HE1 TYR 14 HE1 TYR 14 3.088 3.720 7.942 98 HE2 TYR 14 HE2 TYR 14 1.024 0.067 8.857 99 HH TYR 14 HH TYR 14 0.874 2.498 9.968 100 H GLN 15 HN GLN 15 3.493 1.073 4.324 101 HA GLN 15 HA GLN 15 0.829 0.229 5.105 102 HB2 GLN 15 HB2 GLN 15 1.590 2.347 3.066 103 HB3 GLN 15 HB1 GLN 15 0.070 2.207 3.941 104 HG2 GLN 15 HG2 GLN 15 1.159 2.702 6.042 105 HG3 GLN 15 HG1 GLN 15 2.743 2.653 5.275 106 HE21 GLN 15 HE21 GLN 15 0.805 4.002 2.983 107 HE22 GLN 15 HE22 GLN 15 1.005 5.644 3.356 108 H LEU 16 HN LEU 16 2.841 0.099 2.220 109 HA LEU 16 HA LEU 16 0.766 -0.808 0.443 110 HB2 LEU 16 HB2 LEU 16 3.227 0.215 0.062 111 HB3 LEU 16 HB1 LEU 16 3.656 -1.481 -0.025 112 HG LEU 16 HG LEU 16 2.004 -1.812 -1.813 113 HD11 LEU 16 HD11 LEU 16 1.230 0.942 -1.053 114 HD12 LEU 16 HD12 LEU 16 0.276 -0.346 -1.783 115 HD13 LEU 16 HD13 LEU 16 1.313 0.649 -2.790 116 HD21 LEU 16 HD21 LEU 16 4.468 -0.482 -1.999 117 HD22 LEU 16 HD22 LEU 16 3.386 0.471 -3.004 118 HD23 LEU 16 HD23 LEU 16 3.579 -1.246 -3.313 119 H GLU 17 HN GLU 17 3.428 -2.463 2.139 120 HA GLU 17 HA GLU 17 2.727 -5.103 1.284 121 HB2 GLU 17 HB2 GLU 17 4.021 -4.266 3.904 122 HB3 GLU 17 HB1 GLU 17 4.090 -5.873 3.183 123 HG2 GLU 17 HG2 GLU 17 5.545 -5.203 1.485 124 HG3 GLU 17 HG1 GLU 17 5.046 -3.514 1.575 125 H ASN 18 HN ASN 18 1.403 -2.928 3.566 126 HA ASN 18 HA ASN 18 0.081 -4.780 5.315 127 HB2 ASN 18 HB2 ASN 18 0.201 -1.911 4.858 128 HB3 ASN 18 HB1 ASN 18 -1.427 -2.376 5.254 129 HD21 ASN 18 HD21 ASN 18 0.848 -0.958 6.804 130 HD22 ASN 18 HD22 ASN 18 0.829 -1.790 8.275 131 H TYR 19 HN TYR 19 -0.855 -3.371 2.178 132 HA TYR 19 HA TYR 19 -3.579 -4.499 2.387 133 HB2 TYR 19 HB2 TYR 19 -2.128 -3.156 0.088 134 HB3 TYR 19 HB1 TYR 19 -3.816 -3.666 0.048 135 HD1 TYR 19 HD1 TYR 19 -5.457 -2.664 1.701 136 HD2 TYR 19 HD2 TYR 19 -1.479 -1.158 1.171 137 HE1 TYR 19 HE1 TYR 19 -6.109 -0.552 2.832 138 HE2 TYR 19 HE2 TYR 19 -2.120 0.954 2.308 139 HH TYR 19 HH TYR 19 -3.874 1.684 3.969 140 H CYS 20 HN CYS 20 -0.581 -5.775 1.782 141 HA CYS 20 HA CYS 20 -1.569 -7.769 -0.197 142 HB2 CYS 20 HB2 CYS 20 0.529 -6.840 -0.834 143 HB3 CYS 20 HB1 CYS 20 1.189 -7.046 0.789 144 H ASN 21 HN ASN 21 -1.593 -9.970 0.307 145 HA ASN 21 HA ASN 21 -1.820 -10.595 3.158 146 HB2 ASN 21 HB2 ASN 21 -2.313 -12.925 2.141 147 HB3 ASN 21 HB1 ASN 21 -3.467 -11.637 1.822 148 HD21 ASN 21 HD21 ASN 21 -4.030 -12.924 -0.176 149 HD22 ASN 21 HD22 ASN 21 -3.042 -12.776 -1.547 150 H1 PHE 22 HT1 PHE 22 11.870 0.766 -0.155 151 H2 PHE 22 HT2 PHE 22 12.560 2.319 -0.188 152 H3 PHE 22 HT3 PHE 22 13.199 1.081 -1.161 153 HA PHE 22 HA PHE 22 11.728 1.400 -2.778 154 HB2 PHE 22 HB2 PHE 22 10.034 0.489 -0.930 155 HB3 PHE 22 HB1 PHE 22 9.472 2.158 -0.927 156 HD1 PHE 22 HD1 PHE 22 8.282 3.084 -2.823 157 HD2 PHE 22 HD2 PHE 22 9.931 -0.876 -2.992 158 HE1 PHE 22 HE1 PHE 22 6.999 2.640 -4.897 159 HE2 PHE 22 HE2 PHE 22 8.649 -1.321 -5.066 160 HZ PHE 22 HZ PHE 22 7.183 0.437 -6.020 161 H VAL 23 HN VAL 23 10.859 3.290 -3.925 162 HA VAL 23 HA VAL 23 12.013 5.777 -2.930 163 HB VAL 23 HB VAL 23 11.965 5.181 -5.365 164 HG11 VAL 23 HG11 VAL 23 9.031 5.920 -5.231 165 HG12 VAL 23 HG12 VAL 23 9.577 4.244 -5.179 166 HG13 VAL 23 HG13 VAL 23 9.917 5.239 -6.595 167 HG21 VAL 23 HG21 VAL 23 12.128 7.550 -4.466 168 HG22 VAL 23 HG22 VAL 23 10.391 7.697 -4.736 169 HG23 VAL 23 HG23 VAL 23 11.476 7.430 -6.101 170 H ASN 24 HN ASN 24 10.812 7.719 -2.501 171 HA ASN 24 HA ASN 24 8.072 7.195 -1.443 172 HB2 ASN 24 HB2 ASN 24 9.479 9.759 -0.862 173 HB3 ASN 24 HB1 ASN 24 8.530 8.738 0.199 174 HD21 ASN 24 HD21 ASN 24 9.710 7.549 1.703 175 HD22 ASN 24 HD22 ASN 24 11.362 7.183 1.565 176 H GLN 25 HN GLN 25 6.948 7.425 -3.422 177 HA GLN 25 HA GLN 25 6.760 10.219 -4.433 178 HB2 GLN 25 HB2 GLN 25 8.176 8.704 -5.937 179 HB3 GLN 25 HB1 GLN 25 6.696 7.794 -6.247 180 HG2 GLN 25 HG2 GLN 25 6.858 10.782 -6.659 181 HG3 GLN 25 HG1 GLN 25 7.262 9.630 -7.928 182 HE21 GLN 25 HE21 GLN 25 5.426 7.713 -7.888 183 HE22 GLN 25 HE22 GLN 25 3.852 8.323 -8.000 184 H HIS 26 HN HIS 26 4.678 10.828 -5.110 185 HA HIS 26 HA HIS 26 2.485 9.411 -3.906 186 HB2 HIS 26 HB2 HIS 26 2.372 11.553 -6.049 187 HB3 HIS 26 HB1 HIS 26 1.079 11.100 -4.946 188 HD1 HIS 26 HD1 HIS 26 0.878 12.603 -2.979 189 HD2 HIS 26 HD2 HIS 26 4.798 12.464 -4.396 190 HE1 HIS 26 HE1 HIS 26 2.223 14.194 -1.534 191 HE2 HIS 26 HE2 HIS 26 4.603 14.137 -2.407 192 H LEU 27 HN LEU 27 1.851 7.443 -4.748 193 HA LEU 27 HA LEU 27 1.982 6.995 -7.670 194 HB2 LEU 27 HB2 LEU 27 0.974 5.070 -5.580 195 HB3 LEU 27 HB1 LEU 27 1.581 4.710 -7.182 196 HG LEU 27 HG LEU 27 3.345 6.007 -5.097 197 HD11 LEU 27 HD11 LEU 27 4.197 3.771 -4.573 198 HD12 LEU 27 HD12 LEU 27 3.003 3.051 -5.654 199 HD13 LEU 27 HD13 LEU 27 2.479 3.881 -4.189 200 HD21 LEU 27 HD21 LEU 27 3.844 4.398 -7.618 201 HD22 LEU 27 HD22 LEU 27 5.106 4.955 -6.520 202 HD23 LEU 27 HD23 LEU 27 4.128 6.125 -7.404 203 H CYS 28 HN CYS 28 0.153 6.473 -8.891 204 HA CYS 28 HA CYS 28 -2.520 6.490 -7.705 205 HB2 CYS 28 HB2 CYS 28 -1.727 8.646 -9.690 206 HB3 CYS 28 HB1 CYS 28 -3.333 8.385 -9.025 207 H GLY 29 HN GLY 29 -4.113 6.519 -9.834 208 HA2 GLY 29 HA2 GLY 29 -4.764 5.148 -11.641 209 HA3 GLY 29 HA1 GLY 29 -3.204 5.600 -12.324 210 H SER 30 HN SER 30 -2.668 3.574 -13.154 211 HA SER 30 HA SER 30 -2.870 1.168 -11.528 212 HB2 SER 30 HB2 SER 30 -1.171 1.417 -14.006 213 HB3 SER 30 HB1 SER 30 -2.030 0.005 -13.392 214 HG SER 30 HG SER 30 -3.934 1.601 -13.705 215 H ASP 31 HN ASP 31 -0.501 3.669 -11.920 216 HA ASP 31 HA ASP 31 1.936 2.393 -11.399 217 HB2 ASP 31 HB2 ASP 31 1.027 4.913 -9.973 218 HB3 ASP 31 HB1 ASP 31 2.681 4.444 -10.354 219 H LEU 32 HN LEU 32 -0.302 3.638 -8.929 220 HA LEU 32 HA LEU 32 0.896 2.567 -6.632 221 HB2 LEU 32 HB2 LEU 32 -0.989 4.076 -6.488 222 HB3 LEU 32 HB1 LEU 32 -2.018 2.951 -7.368 223 HG LEU 32 HG LEU 32 -1.989 1.381 -5.536 224 HD11 LEU 32 HD11 LEU 32 0.216 1.490 -4.674 225 HD12 LEU 32 HD12 LEU 32 -0.775 2.162 -3.382 226 HD13 LEU 32 HD13 LEU 32 0.132 3.234 -4.442 227 HD21 LEU 32 HD21 LEU 32 -3.091 2.731 -3.837 228 HD22 LEU 32 HD22 LEU 32 -3.531 3.342 -5.430 229 HD23 LEU 32 HD23 LEU 32 -2.334 4.189 -4.462 230 H VAL 33 HN VAL 33 -1.695 1.047 -8.596 231 HA VAL 33 HA VAL 33 -1.824 -1.436 -7.300 232 HB VAL 33 HB VAL 33 -2.081 -0.705 -10.225 233 HG11 VAL 33 HG11 VAL 33 -1.446 -2.971 -10.404 234 HG12 VAL 33 HG12 VAL 33 -3.204 -3.063 -10.334 235 HG13 VAL 33 HG13 VAL 33 -2.245 -3.413 -8.896 236 HG21 VAL 33 HG21 VAL 33 -4.116 -1.627 -8.186 237 HG22 VAL 33 HG22 VAL 33 -4.442 -1.001 -9.803 238 HG23 VAL 33 HG23 VAL 33 -3.784 0.064 -8.560 239 H GLU 34 HN GLU 34 0.093 -0.705 -10.194 240 HA GLU 34 HA GLU 34 1.513 -2.996 -10.514 241 HB2 GLU 34 HB2 GLU 34 2.204 -0.112 -10.851 242 HB3 GLU 34 HB1 GLU 34 3.489 -1.289 -11.069 243 HG2 GLU 34 HG2 GLU 34 2.118 -2.472 -12.750 244 HG3 GLU 34 HG1 GLU 34 0.835 -1.281 -12.533 245 H ALA 35 HN ALA 35 2.241 -0.431 -8.164 246 HA ALA 35 HA ALA 35 4.599 -1.557 -7.073 247 HB1 ALA 35 HB1 ALA 35 4.257 -0.109 -5.241 248 HB2 ALA 35 HB2 ALA 35 2.501 -0.230 -5.357 249 HB3 ALA 35 HB3 ALA 35 3.402 0.704 -6.550 250 H LEU 36 HN LEU 36 1.260 -1.918 -5.777 251 HA LEU 36 HA LEU 36 1.838 -3.992 -3.974 252 HB2 LEU 36 HB2 LEU 36 -0.622 -3.551 -5.683 253 HB3 LEU 36 HB1 LEU 36 -0.548 -4.738 -4.382 254 HG LEU 36 HG LEU 36 0.197 -1.864 -3.823 255 HD11 LEU 36 HD11 LEU 36 -2.044 -1.882 -4.943 256 HD12 LEU 36 HD12 LEU 36 -2.110 -1.369 -3.258 257 HD13 LEU 36 HD13 LEU 36 -2.605 -2.998 -3.700 258 HD21 LEU 36 HD21 LEU 36 -0.602 -2.478 -1.577 259 HD22 LEU 36 HD22 LEU 36 0.619 -3.622 -2.118 260 HD23 LEU 36 HD23 LEU 36 -1.081 -4.062 -2.173 261 H TYR 37 HN TYR 37 0.903 -4.221 -7.401 262 HA TYR 37 HA TYR 37 1.044 -7.027 -7.670 263 HB2 TYR 37 HB2 TYR 37 0.364 -5.229 -9.414 264 HB3 TYR 37 HB1 TYR 37 2.077 -5.106 -9.768 265 HD1 TYR 37 HD1 TYR 37 -0.918 -7.172 -10.073 266 HD2 TYR 37 HD2 TYR 37 3.338 -7.065 -10.648 267 HE1 TYR 37 HE1 TYR 37 -1.060 -9.192 -11.504 268 HE2 TYR 37 HE2 TYR 37 3.195 -9.085 -12.080 269 HH TYR 37 HH TYR 37 0.808 -11.148 -12.112 270 H LEU 38 HN LEU 38 3.493 -4.616 -7.248 271 HA LEU 38 HA LEU 38 5.733 -6.387 -7.933 272 HB2 LEU 38 HB2 LEU 38 5.426 -3.721 -8.083 273 HB3 LEU 38 HB1 LEU 38 6.045 -3.796 -6.450 274 HG LEU 38 HG LEU 38 7.939 -5.266 -7.462 275 HD11 LEU 38 HD11 LEU 38 8.420 -4.607 -9.838 276 HD12 LEU 38 HD12 LEU 38 6.819 -3.878 -9.919 277 HD13 LEU 38 HD13 LEU 38 6.986 -5.615 -9.680 278 HD21 LEU 38 HD21 LEU 38 8.399 -3.085 -6.582 279 HD22 LEU 38 HD22 LEU 38 7.577 -2.296 -7.929 280 HD23 LEU 38 HD23 LEU 38 9.114 -3.121 -8.194 281 H VAL 39 HN VAL 39 4.836 -4.546 -5.018 282 HA VAL 39 HA VAL 39 6.437 -5.852 -3.135 283 HB VAL 39 HB VAL 39 3.631 -4.765 -2.695 284 HG11 VAL 39 HG11 VAL 39 4.302 -4.392 -0.438 285 HG12 VAL 39 HG12 VAL 39 5.971 -4.835 -0.789 286 HG13 VAL 39 HG13 VAL 39 4.709 -6.066 -0.806 287 HG21 VAL 39 HG21 VAL 39 4.887 -3.069 -3.801 288 HG22 VAL 39 HG22 VAL 39 6.323 -3.413 -2.838 289 HG23 VAL 39 HG23 VAL 39 4.914 -2.681 -2.083 290 H CYS 40 HN CYS 40 3.012 -6.539 -3.839 291 HA CYS 40 HA CYS 40 3.006 -8.936 -2.227 292 HB2 CYS 40 HB2 CYS 40 1.070 -7.299 -3.053 293 HB3 CYS 40 HB1 CYS 40 0.951 -8.471 -4.358 294 H GLY 41 HN GLY 41 3.580 -8.290 -5.647 295 HA2 GLY 41 HA2 GLY 41 4.108 -9.782 -7.398 296 HA3 GLY 41 HA1 GLY 41 4.980 -10.658 -6.141 297 H GLU 42 HN GLU 42 4.327 -12.732 -5.900 298 HA GLU 42 HA GLU 42 1.793 -13.620 -7.071 299 HB2 GLU 42 HB2 GLU 42 3.693 -15.318 -5.473 300 HB3 GLU 42 HB1 GLU 42 2.590 -15.822 -6.752 301 HG2 GLU 42 HG2 GLU 42 3.911 -14.452 -8.371 302 HG3 GLU 42 HG1 GLU 42 5.058 -14.092 -7.080 303 H ARG 43 HN ARG 43 2.779 -12.563 -3.974 304 HA ARG 43 HA ARG 43 1.215 -14.229 -2.290 305 HB2 ARG 43 HB2 ARG 43 2.097 -11.363 -2.043 306 HB3 ARG 43 HB1 ARG 43 1.099 -12.107 -0.805 307 HG2 ARG 43 HG2 ARG 43 2.810 -13.913 -0.590 308 HG3 ARG 43 HG1 ARG 43 3.826 -13.035 -1.735 309 HD2 ARG 43 HD2 ARG 43 3.452 -11.003 -0.094 310 HD3 ARG 43 HD1 ARG 43 3.042 -12.270 1.067 311 HE ARG 43 HE ARG 43 5.501 -12.963 -0.202 312 HH11 ARG 43 HH11 ARG 43 7.429 -12.598 0.922 313 HH12 ARG 43 HH12 ARG 43 7.446 -11.476 2.241 314 HH21 ARG 43 HH21 ARG 43 4.084 -10.678 1.954 315 HH22 ARG 43 HH22 ARG 43 5.552 -10.389 2.826 316 H GLY 44 HN GLY 44 0.287 -11.594 -4.379 317 HA2 GLY 44 HA2 GLY 44 -1.905 -11.139 -5.191 318 HA3 GLY 44 HA1 GLY 44 -2.544 -12.318 -4.045 319 H TYR 45 HN TYR 45 -2.815 -9.183 -4.726 320 HA TYR 45 HA TYR 45 -3.018 -8.339 -1.857 321 HB2 TYR 45 HB2 TYR 45 -2.588 -6.034 -2.656 322 HB3 TYR 45 HB1 TYR 45 -1.247 -7.087 -3.034 323 HD1 TYR 45 HD1 TYR 45 -3.738 -4.881 -4.398 324 HD2 TYR 45 HD2 TYR 45 -1.151 -8.162 -5.325 325 HE1 TYR 45 HE1 TYR 45 -3.955 -4.362 -6.805 326 HE2 TYR 45 HE2 TYR 45 -1.367 -7.658 -7.746 327 HH TYR 45 HH TYR 45 -1.958 -5.354 -9.090 328 H PHE 46 HN PHE 46 -4.589 -6.373 -1.748 329 HA PHE 46 HA PHE 46 -7.006 -6.957 -3.440 330 HB2 PHE 46 HB2 PHE 46 -7.194 -5.913 -0.622 331 HB3 PHE 46 HB1 PHE 46 -8.400 -6.784 -1.565 332 HD1 PHE 46 HD1 PHE 46 -5.500 -7.077 0.627 333 HD2 PHE 46 HD2 PHE 46 -8.146 -9.227 -1.984 334 HE1 PHE 46 HE1 PHE 46 -4.717 -9.220 1.599 335 HE2 PHE 46 HE2 PHE 46 -7.364 -11.371 -1.012 336 HZ PHE 46 HZ PHE 46 -5.650 -11.367 0.780 337 H TYR 47 HN TYR 47 -7.379 -5.241 -4.709 338 HA TYR 47 HA TYR 47 -6.942 -2.486 -3.603 339 HB2 TYR 47 HB2 TYR 47 -5.150 -3.100 -5.219 340 HB3 TYR 47 HB1 TYR 47 -6.387 -3.398 -6.442 341 HD1 TYR 47 HD1 TYR 47 -4.835 -0.798 -4.290 342 HD2 TYR 47 HD2 TYR 47 -7.498 -1.594 -7.569 343 HE1 TYR 47 HE1 TYR 47 -4.895 1.605 -4.826 344 HE2 TYR 47 HE2 TYR 47 -7.550 0.826 -8.110 345 HH TYR 47 HH TYR 47 -7.150 3.036 -6.673 346 H THR 48 HN THR 48 -9.000 -1.729 -3.355 347 HA THR 48 HA THR 48 -10.643 -1.120 -5.576 348 HB THR 48 HB THR 48 -11.277 -3.359 -5.895 349 HG1 THR 48 HG1 THR 48 -13.403 -3.438 -5.113 350 HG21 THR 48 HG21 THR 48 -10.294 -4.523 -4.104 351 HG22 THR 48 HG22 THR 48 -12.019 -4.736 -3.816 352 HG23 THR 48 HG23 THR 48 -11.114 -3.538 -2.891 353 H LYS 49 HN LYS 49 -10.098 0.612 -3.871 354 HA LYS 49 HA LYS 49 -10.664 1.886 -1.966 355 HB2 LYS 49 HB2 LYS 49 -12.993 2.713 -2.186 356 HB3 LYS 49 HB1 LYS 49 -12.115 2.745 -3.708 357 HG2 LYS 49 HG2 LYS 49 -13.220 0.751 -4.479 358 HG3 LYS 49 HG1 LYS 49 -13.943 0.467 -2.897 359 HD2 LYS 49 HD2 LYS 49 -14.494 2.909 -4.613 360 HD3 LYS 49 HD1 LYS 49 -15.527 1.483 -4.566 361 HE2 LYS 49 HE2 LYS 49 -15.447 1.948 -1.929 362 HE3 LYS 49 HE1 LYS 49 -15.116 3.592 -2.478 363 HZ1 LYS 49 HZ1 LYS 49 -17.136 2.798 -4.090 364 HZ2 LYS 49 HZ2 LYS 49 -17.308 3.752 -2.694 365 HZ3 LYS 49 HZ3 LYS 49 -17.547 2.072 -2.613 366 HA PRO 50 HA PRO 50 -11.993 -2.256 0.227 367 HB2 PRO 50 HB2 PRO 50 -10.224 -0.810 2.143 368 HB3 PRO 50 HB1 PRO 50 -10.188 -2.510 1.640 369 HG2 PRO 50 HG2 PRO 50 -8.611 -0.320 0.628 370 HG3 PRO 50 HG1 PRO 50 -8.541 -2.026 0.159 371 HD2 PRO 50 HD2 PRO 50 -9.383 -0.029 -1.540 372 HD3 PRO 50 HD1 PRO 50 -9.927 -1.718 -1.662 373 H THR 51 HN THR 51 -11.371 0.773 2.041 374 HA THR 51 HA THR 51 -13.863 0.420 3.539 375 HB THR 51 HB THR 51 -12.134 1.354 4.840 376 HG1 THR 51 HG1 THR 51 -14.094 2.551 4.976 377 HG21 THR 51 HG21 THR 51 -11.598 3.080 2.420 378 HG22 THR 51 HG22 THR 51 -10.520 1.909 3.180 379 HG23 THR 51 HG23 THR 51 -10.892 3.427 3.999 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 -10.474 5.165 1.155 2 H2 GLY 1 HT2 GLY 1 -9.208 6.286 1.000 3 H3 GLY 1 HT3 GLY 1 -9.199 5.163 2.275 4 HA2 GLY 1 HA2 GLY 1 -9.127 3.261 0.615 5 HA3 GLY 1 HA1 GLY 1 -8.734 4.572 -0.533 6 H ILE 2 HN ILE 2 -7.052 2.735 -0.696 7 HA ILE 2 HA ILE 2 -4.623 3.978 0.258 8 HB ILE 2 HB ILE 2 -4.805 1.561 -0.318 9 HG12 ILE 2 HG12 ILE 2 -2.794 2.965 -2.091 10 HG13 ILE 2 HG11 ILE 2 -2.617 2.858 -0.345 11 HG21 ILE 2 HG21 ILE 2 -4.834 0.873 -2.666 12 HG22 ILE 2 HG22 ILE 2 -4.888 2.554 -3.184 13 HG23 ILE 2 HG23 ILE 2 -6.254 1.858 -2.320 14 HD11 ILE 2 HD11 ILE 2 -1.590 0.875 -0.664 15 HD12 ILE 2 HD12 ILE 2 -2.014 0.861 -2.370 16 HD13 ILE 2 HD13 ILE 2 -3.135 0.204 -1.185 17 H VAL 3 HN VAL 3 -6.488 4.166 -2.717 18 HA VAL 3 HA VAL 3 -4.626 5.519 -4.368 19 HB VAL 3 HB VAL 3 -7.604 6.040 -4.285 20 HG11 VAL 3 HG11 VAL 3 -5.551 5.964 -6.504 21 HG12 VAL 3 HG12 VAL 3 -6.282 7.414 -5.815 22 HG13 VAL 3 HG13 VAL 3 -7.274 6.269 -6.718 23 HG21 VAL 3 HG21 VAL 3 -6.067 3.678 -5.377 24 HG22 VAL 3 HG22 VAL 3 -7.713 4.069 -5.871 25 HG23 VAL 3 HG23 VAL 3 -7.371 3.651 -4.192 26 H GLU 4 HN GLU 4 -6.844 6.712 -1.914 27 HA GLU 4 HA GLU 4 -6.399 9.503 -2.517 28 HB2 GLU 4 HB2 GLU 4 -7.297 8.495 0.177 29 HB3 GLU 4 HB1 GLU 4 -7.790 9.956 -0.683 30 HG2 GLU 4 HG2 GLU 4 -8.737 8.341 -2.480 31 HG3 GLU 4 HG1 GLU 4 -8.577 7.095 -1.241 32 H GLN 5 HN GLN 5 -4.638 7.177 -0.603 33 HA GLN 5 HA GLN 5 -3.163 9.319 0.828 34 HB2 GLN 5 HB2 GLN 5 -3.858 7.161 1.948 35 HB3 GLN 5 HB1 GLN 5 -2.692 6.329 0.919 36 HG2 GLN 5 HG2 GLN 5 -0.860 7.588 1.850 37 HG3 GLN 5 HG1 GLN 5 -1.963 8.652 2.718 38 HE21 GLN 5 HE21 GLN 5 -3.352 5.640 2.875 39 HE22 GLN 5 HE22 GLN 5 -2.708 5.108 4.352 40 H CYS 6 HN CYS 6 -2.308 6.564 -1.302 41 HA CYS 6 HA CYS 6 0.402 7.446 -1.622 42 HB2 CYS 6 HB2 CYS 6 -1.011 5.622 -3.545 43 HB3 CYS 6 HB1 CYS 6 0.651 5.560 -2.974 44 H CYS 7 HN CYS 7 -2.536 8.097 -3.504 45 HA CYS 7 HA CYS 7 -0.910 9.266 -5.679 46 HB2 CYS 7 HB2 CYS 7 -3.099 7.964 -6.027 47 HB3 CYS 7 HB1 CYS 7 -3.915 9.402 -5.443 48 H THR 8 HN THR 8 -3.679 10.579 -3.807 49 HA THR 8 HA THR 8 -3.165 13.278 -4.342 50 HB THR 8 HB THR 8 -4.092 12.259 -1.653 51 HG1 THR 8 HG1 THR 8 -5.415 11.174 -2.940 52 HG21 THR 8 HG21 THR 8 -3.768 14.659 -1.873 53 HG22 THR 8 HG22 THR 8 -5.488 14.280 -1.760 54 HG23 THR 8 HG23 THR 8 -4.771 14.675 -3.324 55 H SER 9 HN SER 9 -1.325 11.035 -2.578 56 HA SER 9 HA SER 9 0.640 13.104 -1.878 57 HB2 SER 9 HB2 SER 9 -1.092 12.767 0.054 58 HB3 SER 9 HB1 SER 9 -0.244 11.270 0.345 59 HG SER 9 HG SER 9 1.467 12.357 0.993 60 H ILE 10 HN ILE 10 1.643 10.997 0.111 61 HA ILE 10 HA ILE 10 2.713 9.005 -1.850 62 HB ILE 10 HB ILE 10 4.151 10.546 0.321 63 HG12 ILE 10 HG12 ILE 10 4.598 10.573 -2.664 64 HG13 ILE 10 HG11 ILE 10 3.596 11.738 -1.825 65 HG21 ILE 10 HG21 ILE 10 6.181 9.404 -0.544 66 HG22 ILE 10 HG22 ILE 10 5.184 8.474 -1.660 67 HG23 ILE 10 HG23 ILE 10 5.028 8.229 0.080 68 HD11 ILE 10 HD11 ILE 10 6.434 11.233 -0.967 69 HD12 ILE 10 HD12 ILE 10 5.409 12.623 -0.610 70 HD13 ILE 10 HD13 ILE 10 6.048 12.392 -2.237 71 H CYS 11 HN CYS 11 3.171 6.936 -0.907 72 HA CYS 11 HA CYS 11 1.968 6.491 1.815 73 HB2 CYS 11 HB2 CYS 11 1.949 4.836 -0.706 74 HB3 CYS 11 HB1 CYS 11 1.710 4.078 0.868 75 H SER 12 HN SER 12 2.892 4.483 2.876 76 HA SER 12 HA SER 12 5.850 4.279 2.390 77 HB2 SER 12 HB2 SER 12 4.278 4.137 4.974 78 HB3 SER 12 HB1 SER 12 5.980 3.709 4.838 79 HG SER 12 HG SER 12 6.012 5.949 3.755 80 H LEU 13 HN LEU 13 6.717 2.187 2.425 81 HA LEU 13 HA LEU 13 5.320 0.066 1.393 82 HB2 LEU 13 HB2 LEU 13 7.881 0.451 2.212 83 HB3 LEU 13 HB1 LEU 13 7.354 -0.648 3.476 84 HG LEU 13 HG LEU 13 6.579 -2.240 1.708 85 HD11 LEU 13 HD11 LEU 13 7.890 -1.603 -0.590 86 HD12 LEU 13 HD12 LEU 13 7.453 0.014 -0.043 87 HD13 LEU 13 HD13 LEU 13 6.201 -1.200 -0.304 88 HD21 LEU 13 HD21 LEU 13 9.479 -1.354 1.657 89 HD22 LEU 13 HD22 LEU 13 8.905 -2.890 1.006 90 HD23 LEU 13 HD23 LEU 13 8.758 -2.554 2.731 91 H TYR 14 HN TYR 14 5.430 1.011 4.808 92 HA TYR 14 HA TYR 14 4.200 -1.402 5.781 93 HB2 TYR 14 HB2 TYR 14 4.491 -0.402 7.805 94 HB3 TYR 14 HB1 TYR 14 5.194 0.955 6.935 95 HD1 TYR 14 HD1 TYR 14 4.165 3.053 7.046 96 HD2 TYR 14 HD2 TYR 14 1.909 -0.434 8.040 97 HE1 TYR 14 HE1 TYR 14 2.297 4.498 7.814 98 HE2 TYR 14 HE2 TYR 14 0.033 0.988 8.812 99 HH TYR 14 HH TYR 14 0.159 4.526 8.478 100 H GLN 15 HN GLN 15 2.887 1.588 4.442 101 HA GLN 15 HA GLN 15 0.139 0.872 5.051 102 HB2 GLN 15 HB2 GLN 15 1.120 2.842 2.956 103 HB3 GLN 15 HB1 GLN 15 -0.462 2.798 3.725 104 HG2 GLN 15 HG2 GLN 15 0.498 3.378 5.872 105 HG3 GLN 15 HG1 GLN 15 2.128 3.262 5.211 106 HE21 GLN 15 HE21 GLN 15 0.296 4.515 2.755 107 HE22 GLN 15 HE22 GLN 15 0.531 6.169 3.040 108 H LEU 16 HN LEU 16 2.393 0.466 2.391 109 HA LEU 16 HA LEU 16 0.439 -0.478 0.493 110 HB2 LEU 16 HB2 LEU 16 2.948 0.457 0.254 111 HB3 LEU 16 HB1 LEU 16 3.337 -1.250 0.321 112 HG LEU 16 HG LEU 16 1.839 -1.674 -1.578 113 HD11 LEU 16 HD11 LEU 16 1.073 1.145 -1.080 114 HD12 LEU 16 HD12 LEU 16 0.146 -0.176 -1.786 115 HD13 LEU 16 HD13 LEU 16 1.284 0.719 -2.778 116 HD21 LEU 16 HD21 LEU 16 3.361 0.494 -2.806 117 HD22 LEU 16 HD22 LEU 16 3.554 -1.242 -2.965 118 HD23 LEU 16 HD23 LEU 16 4.338 -0.389 -1.638 119 H GLU 17 HN GLU 17 2.915 -2.103 2.487 120 HA GLU 17 HA GLU 17 2.194 -4.768 1.756 121 HB2 GLU 17 HB2 GLU 17 3.261 -3.780 4.427 122 HB3 GLU 17 HB1 GLU 17 3.319 -5.444 3.849 123 HG2 GLU 17 HG2 GLU 17 4.955 -4.980 2.248 124 HG3 GLU 17 HG1 GLU 17 4.539 -3.269 2.166 125 H ASN 18 HN ASN 18 0.790 -2.418 3.833 126 HA ASN 18 HA ASN 18 -0.784 -4.084 5.532 127 HB2 ASN 18 HB2 ASN 18 -0.539 -1.261 4.851 128 HB3 ASN 18 HB1 ASN 18 -2.203 -1.665 5.154 129 HD21 ASN 18 HD21 ASN 18 -0.022 -0.162 6.763 130 HD22 ASN 18 HD22 ASN 18 -0.174 -0.870 8.289 131 H TYR 19 HN TYR 19 -1.388 -2.869 2.230 132 HA TYR 19 HA TYR 19 -4.139 -3.951 2.246 133 HB2 TYR 19 HB2 TYR 19 -2.461 -2.778 0.010 134 HB3 TYR 19 HB1 TYR 19 -4.156 -3.241 -0.137 135 HD1 TYR 19 HD1 TYR 19 -5.883 -2.106 1.343 136 HD2 TYR 19 HD2 TYR 19 -1.840 -0.725 0.995 137 HE1 TYR 19 HE1 TYR 19 -6.554 0.089 2.290 138 HE2 TYR 19 HE2 TYR 19 -2.501 1.470 1.950 139 HH TYR 19 HH TYR 19 -5.863 2.292 2.486 140 H CYS 20 HN CYS 20 -1.125 -5.296 2.011 141 HA CYS 20 HA CYS 20 -1.955 -7.390 0.060 142 HB2 CYS 20 HB2 CYS 20 0.210 -6.529 -0.427 143 HB3 CYS 20 HB1 CYS 20 0.709 -6.636 1.261 144 H ASN 21 HN ASN 21 -2.057 -9.556 0.685 145 HA ASN 21 HA ASN 21 -2.894 -10.139 3.327 146 HB2 ASN 21 HB2 ASN 21 -1.732 -12.067 1.298 147 HB3 ASN 21 HB1 ASN 21 -2.819 -12.453 2.624 148 HD21 ASN 21 HD21 ASN 21 -4.056 -13.309 0.537 149 HD22 ASN 21 HD22 ASN 21 -5.140 -12.206 -0.162 150 H1 PHE 22 HT1 PHE 22 11.652 0.990 0.641 151 H2 PHE 22 HT2 PHE 22 12.562 2.398 0.364 152 H3 PHE 22 HT3 PHE 22 12.929 0.967 -0.474 153 HA PHE 22 HA PHE 22 11.554 1.510 -2.096 154 HB2 PHE 22 HB2 PHE 22 9.897 0.484 -0.290 155 HB3 PHE 22 HB1 PHE 22 9.295 2.136 -0.199 156 HD1 PHE 22 HD1 PHE 22 8.214 3.193 -2.139 157 HD2 PHE 22 HD2 PHE 22 9.656 -0.846 -2.311 158 HE1 PHE 22 HE1 PHE 22 6.919 2.823 -4.221 159 HE2 PHE 22 HE2 PHE 22 8.361 -1.219 -4.394 160 HZ PHE 22 HZ PHE 22 6.992 0.616 -5.349 161 H VAL 23 HN VAL 23 11.284 3.407 -3.264 162 HA VAL 23 HA VAL 23 12.018 5.902 -2.037 163 HB VAL 23 HB VAL 23 12.445 5.518 -4.409 164 HG11 VAL 23 HG11 VAL 23 9.434 5.554 -4.758 165 HG12 VAL 23 HG12 VAL 23 10.405 4.082 -4.752 166 HG13 VAL 23 HG13 VAL 23 10.644 5.291 -6.014 167 HG21 VAL 23 HG21 VAL 23 11.894 7.849 -3.491 168 HG22 VAL 23 HG22 VAL 23 10.292 7.639 -4.199 169 HG23 VAL 23 HG23 VAL 23 11.719 7.646 -5.235 170 H ASN 24 HN ASN 24 10.740 7.626 -1.390 171 HA ASN 24 HA ASN 24 7.894 7.009 -0.875 172 HB2 ASN 24 HB2 ASN 24 9.339 9.514 -0.064 173 HB3 ASN 24 HB1 ASN 24 8.005 8.705 0.740 174 HD21 ASN 24 HD21 ASN 24 8.748 7.807 2.669 175 HD22 ASN 24 HD22 ASN 24 10.233 7.008 2.859 176 H GLN 25 HN GLN 25 7.461 7.234 -3.264 177 HA GLN 25 HA GLN 25 7.200 10.071 -4.130 178 HB2 GLN 25 HB2 GLN 25 7.214 9.187 -6.392 179 HB3 GLN 25 HB1 GLN 25 8.674 8.699 -5.547 180 HG2 GLN 25 HG2 GLN 25 7.328 6.569 -4.935 181 HG3 GLN 25 HG1 GLN 25 6.249 7.058 -6.235 182 HE21 GLN 25 HE21 GLN 25 8.521 8.297 -7.750 183 HE22 GLN 25 HE22 GLN 25 9.342 6.988 -8.430 184 H HIS 26 HN HIS 26 5.245 10.601 -5.356 185 HA HIS 26 HA HIS 26 2.859 9.383 -4.223 186 HB2 HIS 26 HB2 HIS 26 3.003 11.344 -6.526 187 HB3 HIS 26 HB1 HIS 26 1.643 11.052 -5.455 188 HD1 HIS 26 HD1 HIS 26 1.380 12.872 -3.799 189 HD2 HIS 26 HD2 HIS 26 5.396 12.250 -4.734 190 HE1 HIS 26 HE1 HIS 26 2.703 14.571 -2.463 191 HE2 HIS 26 HE2 HIS 26 5.144 14.216 -3.042 192 H LEU 27 HN LEU 27 2.215 7.381 -5.040 193 HA LEU 27 HA LEU 27 2.671 6.770 -7.901 194 HB2 LEU 27 HB2 LEU 27 1.329 5.002 -5.856 195 HB3 LEU 27 HB1 LEU 27 2.101 4.529 -7.355 196 HG LEU 27 HG LEU 27 3.677 5.860 -5.146 197 HD11 LEU 27 HD11 LEU 27 2.571 3.822 -4.254 198 HD12 LEU 27 HD12 LEU 27 4.322 3.644 -4.370 199 HD13 LEU 27 HD13 LEU 27 3.277 2.891 -5.575 200 HD21 LEU 27 HD21 LEU 27 4.393 4.038 -7.461 201 HD22 LEU 27 HD22 LEU 27 5.538 4.687 -6.288 202 HD23 LEU 27 HD23 LEU 27 4.690 5.773 -7.386 203 H CYS 28 HN CYS 28 0.962 6.213 -9.297 204 HA CYS 28 HA CYS 28 -1.823 6.457 -8.433 205 HB2 CYS 28 HB2 CYS 28 -0.684 8.402 -10.465 206 HB3 CYS 28 HB1 CYS 28 -2.371 8.266 -9.993 207 H GLY 29 HN GLY 29 -3.166 6.388 -10.729 208 HA2 GLY 29 HA2 GLY 29 -3.696 4.895 -12.479 209 HA3 GLY 29 HA1 GLY 29 -2.054 5.227 -13.023 210 H SER 30 HN SER 30 -1.540 3.118 -13.636 211 HA SER 30 HA SER 30 -2.024 0.863 -11.858 212 HB2 SER 30 HB2 SER 30 -0.086 0.840 -14.168 213 HB3 SER 30 HB1 SER 30 -1.062 -0.483 -13.532 214 HG SER 30 HG SER 30 -1.935 0.406 -15.459 215 H ASP 31 HN ASP 31 0.489 3.224 -12.193 216 HA ASP 31 HA ASP 31 2.805 1.903 -11.348 217 HB2 ASP 31 HB2 ASP 31 1.865 4.552 -10.200 218 HB3 ASP 31 HB1 ASP 31 3.528 3.993 -10.353 219 H LEU 32 HN LEU 32 0.352 3.353 -9.220 220 HA LEU 32 HA LEU 32 1.293 2.437 -6.743 221 HB2 LEU 32 HB2 LEU 32 -0.562 3.976 -6.886 222 HB3 LEU 32 HB1 LEU 32 -1.521 2.814 -7.796 223 HG LEU 32 HG LEU 32 -1.702 1.359 -5.874 224 HD11 LEU 32 HD11 LEU 32 0.318 3.267 -4.690 225 HD12 LEU 32 HD12 LEU 32 0.400 1.510 -4.795 226 HD13 LEU 32 HD13 LEU 32 -0.710 2.275 -3.662 227 HD21 LEU 32 HD21 LEU 32 -2.958 2.820 -4.394 228 HD22 LEU 32 HD22 LEU 32 -3.225 3.325 -6.059 229 HD23 LEU 32 HD23 LEU 32 -2.128 4.234 -5.027 230 H VAL 33 HN VAL 33 -1.111 0.807 -8.854 231 HA VAL 33 HA VAL 33 -1.381 -1.577 -7.386 232 HB VAL 33 HB VAL 33 -1.407 -1.066 -10.369 233 HG11 VAL 33 HG11 VAL 33 -1.752 -3.649 -8.839 234 HG12 VAL 33 HG12 VAL 33 -0.821 -3.354 -10.307 235 HG13 VAL 33 HG13 VAL 33 -2.581 -3.398 -10.376 236 HG21 VAL 33 HG21 VAL 33 -3.229 -0.093 -9.065 237 HG22 VAL 33 HG22 VAL 33 -3.553 -1.657 -8.318 238 HG23 VAL 33 HG23 VAL 33 -3.835 -1.429 -10.044 239 H GLU 34 HN GLU 34 0.775 -1.031 -10.150 240 HA GLU 34 HA GLU 34 2.179 -3.357 -10.211 241 HB2 GLU 34 HB2 GLU 34 2.622 -0.657 -11.067 242 HB3 GLU 34 HB1 GLU 34 4.149 -1.264 -10.443 243 HG2 GLU 34 HG2 GLU 34 4.060 -3.172 -11.951 244 HG3 GLU 34 HG1 GLU 34 2.443 -2.714 -12.489 245 H ALA 35 HN ALA 35 2.652 -0.717 -7.903 246 HA ALA 35 HA ALA 35 4.922 -1.797 -6.565 247 HB1 ALA 35 HB1 ALA 35 3.719 0.513 -6.281 248 HB2 ALA 35 HB2 ALA 35 4.463 -0.230 -4.866 249 HB3 ALA 35 HB3 ALA 35 2.718 -0.340 -5.106 250 H LEU 36 HN LEU 36 1.471 -2.022 -5.572 251 HA LEU 36 HA LEU 36 1.840 -3.993 -3.606 252 HB2 LEU 36 HB2 LEU 36 -0.452 -3.603 -5.546 253 HB3 LEU 36 HB1 LEU 36 -0.521 -4.713 -4.178 254 HG LEU 36 HG LEU 36 0.250 -1.828 -3.718 255 HD11 LEU 36 HD11 LEU 36 -2.078 -1.242 -3.394 256 HD12 LEU 36 HD12 LEU 36 -2.585 -2.883 -3.770 257 HD13 LEU 36 HD13 LEU 36 -1.888 -1.868 -5.030 258 HD21 LEU 36 HD21 LEU 36 -1.234 -3.892 -2.064 259 HD22 LEU 36 HD22 LEU 36 -0.751 -2.290 -1.519 260 HD23 LEU 36 HD23 LEU 36 0.470 -3.499 -1.887 261 H TYR 37 HN TYR 37 1.343 -4.368 -7.106 262 HA TYR 37 HA TYR 37 1.391 -7.210 -7.173 263 HB2 TYR 37 HB2 TYR 37 0.891 -5.587 -9.097 264 HB3 TYR 37 HB1 TYR 37 2.626 -5.398 -9.262 265 HD1 TYR 37 HD1 TYR 37 -0.195 -7.745 -9.575 266 HD2 TYR 37 HD2 TYR 37 4.038 -7.210 -10.073 267 HE1 TYR 37 HE1 TYR 37 -0.083 -9.849 -10.884 268 HE2 TYR 37 HE2 TYR 37 4.150 -9.314 -11.382 269 HH TYR 37 HH TYR 37 2.870 -11.382 -11.646 270 H LEU 38 HN LEU 38 3.830 -4.814 -6.657 271 HA LEU 38 HA LEU 38 6.099 -6.644 -7.015 272 HB2 LEU 38 HB2 LEU 38 5.885 -4.010 -7.368 273 HB3 LEU 38 HB1 LEU 38 6.250 -3.965 -5.658 274 HG LEU 38 HG LEU 38 8.250 -5.523 -6.273 275 HD11 LEU 38 HD11 LEU 38 9.101 -5.029 -8.574 276 HD12 LEU 38 HD12 LEU 38 7.563 -4.254 -8.944 277 HD13 LEU 38 HD13 LEU 38 7.620 -5.979 -8.591 278 HD21 LEU 38 HD21 LEU 38 9.560 -3.430 -6.934 279 HD22 LEU 38 HD22 LEU 38 8.611 -3.300 -5.453 280 HD23 LEU 38 HD23 LEU 38 8.014 -2.580 -6.948 281 H VAL 39 HN VAL 39 4.936 -4.634 -4.320 282 HA VAL 39 HA VAL 39 6.310 -5.850 -2.207 283 HB VAL 39 HB VAL 39 3.499 -4.695 -2.127 284 HG11 VAL 39 HG11 VAL 39 5.617 -4.629 0.023 285 HG12 VAL 39 HG12 VAL 39 4.391 -5.895 -0.060 286 HG13 VAL 39 HG13 VAL 39 3.909 -4.216 0.156 287 HG21 VAL 39 HG21 VAL 39 6.215 -3.389 -2.088 288 HG22 VAL 39 HG22 VAL 39 4.755 -2.592 -1.519 289 HG23 VAL 39 HG23 VAL 39 4.886 -3.091 -3.205 290 H CYS 40 HN CYS 40 2.955 -6.506 -3.214 291 HA CYS 40 HA CYS 40 2.736 -8.798 -1.470 292 HB2 CYS 40 HB2 CYS 40 0.928 -7.164 -2.559 293 HB3 CYS 40 HB1 CYS 40 0.877 -8.423 -3.786 294 H GLY 41 HN GLY 41 3.615 -8.392 -4.863 295 HA2 GLY 41 HA2 GLY 41 4.224 -10.016 -6.466 296 HA3 GLY 41 HA1 GLY 41 4.978 -10.817 -5.090 297 H GLU 42 HN GLU 42 4.233 -12.833 -4.685 298 HA GLU 42 HA GLU 42 1.833 -13.807 -6.024 299 HB2 GLU 42 HB2 GLU 42 4.038 -15.064 -5.740 300 HB3 GLU 42 HB1 GLU 42 3.570 -15.290 -4.055 301 HG2 GLU 42 HG2 GLU 42 2.810 -17.231 -5.185 302 HG3 GLU 42 HG1 GLU 42 1.375 -16.238 -4.946 303 H ARG 43 HN ARG 43 2.642 -12.645 -2.858 304 HA ARG 43 HA ARG 43 0.819 -14.025 -1.232 305 HB2 ARG 43 HB2 ARG 43 1.768 -11.169 -1.163 306 HB3 ARG 43 HB1 ARG 43 0.634 -11.773 0.036 307 HG2 ARG 43 HG2 ARG 43 2.250 -13.577 0.600 308 HG3 ARG 43 HG1 ARG 43 3.395 -12.874 -0.545 309 HD2 ARG 43 HD2 ARG 43 2.987 -10.656 0.822 310 HD3 ARG 43 HD1 ARG 43 2.422 -11.763 2.077 311 HE ARG 43 HE ARG 43 4.906 -12.757 1.189 312 HH11 ARG 43 HH11 ARG 43 6.790 -12.262 2.343 313 HH12 ARG 43 HH12 ARG 43 6.818 -10.866 3.367 314 HH21 ARG 43 HH21 ARG 43 3.551 -9.950 2.655 315 HH22 ARG 43 HH22 ARG 43 4.983 -9.558 3.546 316 H GLY 44 HN GLY 44 0.184 -11.590 -3.642 317 HA2 GLY 44 HA2 GLY 44 -1.899 -11.114 -4.679 318 HA3 GLY 44 HA1 GLY 44 -2.678 -12.213 -3.539 319 H TYR 45 HN TYR 45 -2.843 -9.140 -4.421 320 HA TYR 45 HA TYR 45 -3.307 -8.110 -1.644 321 HB2 TYR 45 HB2 TYR 45 -2.738 -5.870 -2.529 322 HB3 TYR 45 HB1 TYR 45 -1.391 -6.966 -2.727 323 HD1 TYR 45 HD1 TYR 45 -3.695 -4.792 -4.427 324 HD2 TYR 45 HD2 TYR 45 -1.140 -8.187 -4.938 325 HE1 TYR 45 HE1 TYR 45 -3.698 -4.416 -6.872 326 HE2 TYR 45 HE2 TYR 45 -1.140 -7.827 -7.394 327 HH TYR 45 HH TYR 45 -3.133 -5.280 -8.865 328 H PHE 46 HN PHE 46 -4.831 -6.087 -1.863 329 HA PHE 46 HA PHE 46 -7.035 -6.726 -3.808 330 HB2 PHE 46 HB2 PHE 46 -7.298 -5.857 -0.925 331 HB3 PHE 46 HB1 PHE 46 -8.636 -6.034 -2.051 332 HD1 PHE 46 HD1 PHE 46 -6.619 -7.717 0.365 333 HD2 PHE 46 HD2 PHE 46 -8.858 -8.344 -3.247 334 HE1 PHE 46 HE1 PHE 46 -6.753 -10.142 0.868 335 HE2 PHE 46 HE2 PHE 46 -8.991 -10.768 -2.744 336 HZ PHE 46 HZ PHE 46 -7.939 -11.668 -0.687 337 H TYR 47 HN TYR 47 -7.317 -5.065 -5.116 338 HA TYR 47 HA TYR 47 -6.893 -2.274 -4.103 339 HB2 TYR 47 HB2 TYR 47 -4.998 -2.979 -5.543 340 HB3 TYR 47 HB1 TYR 47 -6.137 -3.342 -6.841 341 HD1 TYR 47 HD1 TYR 47 -4.768 -0.627 -4.707 342 HD2 TYR 47 HD2 TYR 47 -7.108 -1.607 -8.175 343 HE1 TYR 47 HE1 TYR 47 -4.767 1.745 -5.380 344 HE2 TYR 47 HE2 TYR 47 -7.097 0.779 -8.854 345 HH TYR 47 HH TYR 47 -5.010 3.037 -7.586 346 H THR 48 HN THR 48 -8.943 -1.447 -4.065 347 HA THR 48 HA THR 48 -10.396 -0.978 -6.458 348 HB THR 48 HB THR 48 -11.181 -3.153 -6.673 349 HG1 THR 48 HG1 THR 48 -13.265 -3.210 -5.706 350 HG21 THR 48 HG21 THR 48 -10.209 -4.387 -4.961 351 HG22 THR 48 HG22 THR 48 -11.889 -4.396 -4.432 352 HG23 THR 48 HG23 THR 48 -10.745 -3.271 -3.704 353 H LYS 49 HN LYS 49 -11.991 -2.001 -3.490 354 HA LYS 49 HA LYS 49 -12.376 0.869 -2.710 355 HB2 LYS 49 HB2 LYS 49 -14.724 0.229 -2.047 356 HB3 LYS 49 HB1 LYS 49 -14.448 0.207 -3.788 357 HG2 LYS 49 HG2 LYS 49 -14.000 -2.271 -3.605 358 HG3 LYS 49 HG1 LYS 49 -14.514 -2.180 -1.921 359 HD2 LYS 49 HD2 LYS 49 -16.707 -1.303 -2.634 360 HD3 LYS 49 HD1 LYS 49 -16.195 -1.394 -4.319 361 HE2 LYS 49 HE2 LYS 49 -17.409 -3.394 -3.992 362 HE3 LYS 49 HE1 LYS 49 -15.727 -3.897 -3.834 363 HZ1 LYS 49 HZ1 LYS 49 -16.993 -4.812 -2.039 364 HZ2 LYS 49 HZ2 LYS 49 -17.615 -3.286 -1.626 365 HZ3 LYS 49 HZ3 LYS 49 -15.963 -3.620 -1.410 366 HA PRO 50 HA PRO 50 -10.449 -2.257 0.419 367 HB2 PRO 50 HB2 PRO 50 -9.335 0.380 1.223 368 HB3 PRO 50 HB1 PRO 50 -8.503 -1.163 0.962 369 HG2 PRO 50 HG2 PRO 50 -8.700 1.049 -0.835 370 HG3 PRO 50 HG1 PRO 50 -7.907 -0.509 -1.114 371 HD2 PRO 50 HD2 PRO 50 -10.178 0.397 -2.443 372 HD3 PRO 50 HD1 PRO 50 -9.671 -1.302 -2.355 373 H THR 51 HN THR 51 -11.280 1.140 1.218 374 HA THR 51 HA THR 51 -12.405 0.416 3.778 375 HB THR 51 HB THR 51 -13.120 2.752 3.891 376 HG1 THR 51 HG1 THR 51 -13.854 3.347 1.987 377 HG21 THR 51 HG21 THR 51 -10.925 3.848 3.379 378 HG22 THR 51 HG22 THR 51 -10.421 2.365 2.569 379 HG23 THR 51 HG23 THR 51 -10.761 2.353 4.299 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 -9.021 4.252 3.245 2 H2 GLY 1 HT2 GLY 1 -10.393 4.269 2.243 3 H3 GLY 1 HT3 GLY 1 -9.203 5.471 2.078 4 HA2 GLY 1 HA2 GLY 1 -9.101 2.526 1.332 5 HA3 GLY 1 HA1 GLY 1 -8.691 3.982 0.379 6 H ILE 2 HN ILE 2 -7.052 2.142 -0.052 7 HA ILE 2 HA ILE 2 -4.593 3.241 1.023 8 HB ILE 2 HB ILE 2 -4.740 0.910 0.226 9 HG12 ILE 2 HG12 ILE 2 -2.871 2.496 -1.550 10 HG13 ILE 2 HG11 ILE 2 -2.583 2.265 0.169 11 HG21 ILE 2 HG21 ILE 2 -6.322 1.332 -1.639 12 HG22 ILE 2 HG22 ILE 2 -4.906 0.426 -2.169 13 HG23 ILE 2 HG23 ILE 2 -5.037 2.142 -2.525 14 HD11 ILE 2 HD11 ILE 2 -3.101 -0.331 -0.840 15 HD12 ILE 2 HD12 ILE 2 -1.548 0.336 -0.351 16 HD13 ILE 2 HD13 ILE 2 -2.058 0.444 -2.030 17 H VAL 3 HN VAL 3 -6.478 3.724 -1.906 18 HA VAL 3 HA VAL 3 -4.662 5.189 -3.469 19 HB VAL 3 HB VAL 3 -7.592 5.872 -3.170 20 HG11 VAL 3 HG11 VAL 3 -6.133 7.249 -4.647 21 HG12 VAL 3 HG12 VAL 3 -7.406 6.399 -5.524 22 HG13 VAL 3 HG13 VAL 3 -5.750 5.792 -5.563 23 HG21 VAL 3 HG21 VAL 3 -6.268 3.494 -4.487 24 HG22 VAL 3 HG22 VAL 3 -7.871 4.059 -4.955 25 HG23 VAL 3 HG23 VAL 3 -7.582 3.492 -3.311 26 H GLU 4 HN GLU 4 -6.723 6.244 -0.806 27 HA GLU 4 HA GLU 4 -6.035 9.040 -1.106 28 HB2 GLU 4 HB2 GLU 4 -6.990 7.833 1.485 29 HB3 GLU 4 HB1 GLU 4 -7.368 9.410 0.788 30 HG2 GLU 4 HG2 GLU 4 -8.485 8.074 -1.134 31 HG3 GLU 4 HG1 GLU 4 -8.407 6.696 -0.035 32 H GLN 5 HN GLN 5 -4.456 6.341 0.393 33 HA GLN 5 HA GLN 5 -2.794 8.080 2.122 34 HB2 GLN 5 HB2 GLN 5 -2.664 5.089 1.644 35 HB3 GLN 5 HB1 GLN 5 -1.800 5.980 2.897 36 HG2 GLN 5 HG2 GLN 5 -3.879 6.628 3.956 37 HG3 GLN 5 HG1 GLN 5 -4.818 5.934 2.635 38 HE21 GLN 5 HE21 GLN 5 -2.241 3.880 3.032 39 HE22 GLN 5 HE22 GLN 5 -2.929 2.766 4.113 40 H CYS 6 HN CYS 6 -2.449 6.115 -0.824 41 HA CYS 6 HA CYS 6 0.414 6.804 -1.009 42 HB2 CYS 6 HB2 CYS 6 -1.209 5.195 -2.963 43 HB3 CYS 6 HB1 CYS 6 0.514 5.114 -2.638 44 H CYS 7 HN CYS 7 -2.636 7.701 -2.543 45 HA CYS 7 HA CYS 7 -1.191 9.103 -4.714 46 HB2 CYS 7 HB2 CYS 7 -3.417 7.829 -4.988 47 HB3 CYS 7 HB1 CYS 7 -4.163 9.206 -4.202 48 H THR 8 HN THR 8 -3.651 10.068 -2.294 49 HA THR 8 HA THR 8 -3.133 12.869 -2.596 50 HB THR 8 HB THR 8 -4.140 11.534 -0.075 51 HG1 THR 8 HG1 THR 8 -5.793 12.272 -2.230 52 HG21 THR 8 HG21 THR 8 -5.507 13.580 0.031 53 HG22 THR 8 HG22 THR 8 -4.755 14.144 -1.461 54 HG23 THR 8 HG23 THR 8 -3.781 13.940 -0.005 55 H SER 9 HN SER 9 -1.415 10.339 -1.154 56 HA SER 9 HA SER 9 0.583 12.193 -0.070 57 HB2 SER 9 HB2 SER 9 -0.538 10.162 1.842 58 HB3 SER 9 HB1 SER 9 0.309 11.665 2.190 59 HG SER 9 HG SER 9 -1.496 12.783 1.836 60 H ILE 10 HN ILE 10 2.524 10.894 0.702 61 HA ILE 10 HA ILE 10 2.934 8.627 -1.115 62 HB ILE 10 HB ILE 10 4.751 9.896 0.949 63 HG12 ILE 10 HG12 ILE 10 4.827 10.159 -2.058 64 HG13 ILE 10 HG11 ILE 10 3.927 11.271 -1.043 65 HG21 ILE 10 HG21 ILE 10 5.568 7.676 0.507 66 HG22 ILE 10 HG22 ILE 10 6.530 8.766 -0.488 67 HG23 ILE 10 HG23 ILE 10 5.229 7.829 -1.217 68 HD11 ILE 10 HD11 ILE 10 6.282 12.015 -1.606 69 HD12 ILE 10 HD12 ILE 10 6.858 10.664 -0.629 70 HD13 ILE 10 HD13 ILE 10 5.916 11.954 0.118 71 H CYS 11 HN CYS 11 3.000 6.489 -0.548 72 HA CYS 11 HA CYS 11 2.145 5.789 2.218 73 HB2 CYS 11 HB2 CYS 11 2.095 4.387 -0.446 74 HB3 CYS 11 HB1 CYS 11 1.997 3.435 1.034 75 H SER 12 HN SER 12 3.151 3.752 3.115 76 HA SER 12 HA SER 12 6.094 3.622 2.525 77 HB2 SER 12 HB2 SER 12 4.645 3.276 5.165 78 HB3 SER 12 HB1 SER 12 6.358 2.965 4.919 79 HG SER 12 HG SER 12 5.004 5.427 4.477 80 H LEU 13 HN LEU 13 6.960 1.535 2.378 81 HA LEU 13 HA LEU 13 5.499 -0.521 1.294 82 HB2 LEU 13 HB2 LEU 13 8.110 -0.181 1.998 83 HB3 LEU 13 HB1 LEU 13 7.650 -1.388 3.188 84 HG LEU 13 HG LEU 13 6.793 -2.832 1.344 85 HD11 LEU 13 HD11 LEU 13 6.273 -1.676 -0.557 86 HD12 LEU 13 HD12 LEU 13 7.962 -1.937 -0.971 87 HD13 LEU 13 HD13 LEU 13 7.458 -0.410 -0.248 88 HD21 LEU 13 HD21 LEU 13 9.118 -3.013 2.248 89 HD22 LEU 13 HD22 LEU 13 9.667 -1.939 0.961 90 HD23 LEU 13 HD23 LEU 13 8.999 -3.522 0.563 91 H TYR 14 HN TYR 14 5.804 0.205 4.751 92 HA TYR 14 HA TYR 14 4.634 -2.273 5.634 93 HB2 TYR 14 HB2 TYR 14 5.029 -1.403 7.701 94 HB3 TYR 14 HB1 TYR 14 5.687 0.009 6.883 95 HD1 TYR 14 HD1 TYR 14 4.667 2.092 7.186 96 HD2 TYR 14 HD2 TYR 14 2.461 -1.457 8.063 97 HE1 TYR 14 HE1 TYR 14 2.843 3.479 8.142 98 HE2 TYR 14 HE2 TYR 14 0.629 -0.093 9.021 99 HH TYR 14 HH TYR 14 0.230 3.085 8.468 100 H GLN 15 HN GLN 15 3.249 0.789 4.557 101 HA GLN 15 HA GLN 15 0.536 0.022 5.261 102 HB2 GLN 15 HB2 GLN 15 1.412 2.132 3.258 103 HB3 GLN 15 HB1 GLN 15 -0.134 2.028 4.092 104 HG2 GLN 15 HG2 GLN 15 0.920 2.466 6.227 105 HG3 GLN 15 HG1 GLN 15 2.516 2.405 5.487 106 HE21 GLN 15 HE21 GLN 15 0.595 3.807 3.197 107 HE22 GLN 15 HE22 GLN 15 0.827 5.441 3.585 108 H LEU 16 HN LEU 16 2.648 -0.193 2.462 109 HA LEU 16 HA LEU 16 0.592 -1.016 0.614 110 HB2 LEU 16 HB2 LEU 16 3.087 -0.050 0.304 111 HB3 LEU 16 HB1 LEU 16 3.474 -1.755 0.212 112 HG LEU 16 HG LEU 16 1.878 -2.033 -1.628 113 HD11 LEU 16 HD11 LEU 16 0.164 -0.548 -1.614 114 HD12 LEU 16 HD12 LEU 16 1.232 0.441 -2.594 115 HD13 LEU 16 HD13 LEU 16 1.117 0.725 -0.858 116 HD21 LEU 16 HD21 LEU 16 3.306 0.249 -2.759 117 HD22 LEU 16 HD22 LEU 16 3.501 -1.466 -3.073 118 HD23 LEU 16 HD23 LEU 16 4.358 -0.717 -1.728 119 H GLU 17 HN GLU 17 3.165 -2.752 2.371 120 HA GLU 17 HA GLU 17 2.415 -5.367 1.483 121 HB2 GLU 17 HB2 GLU 17 3.660 -4.556 4.137 122 HB3 GLU 17 HB1 GLU 17 3.672 -6.180 3.450 123 HG2 GLU 17 HG2 GLU 17 5.173 -5.601 1.752 124 HG3 GLU 17 HG1 GLU 17 4.776 -3.886 1.845 125 H ASN 18 HN ASN 18 1.118 -3.170 3.775 126 HA ASN 18 HA ASN 18 -0.337 -4.960 5.461 127 HB2 ASN 18 HB2 ASN 18 -0.147 -2.098 4.951 128 HB3 ASN 18 HB1 ASN 18 -1.792 -2.534 5.312 129 HD21 ASN 18 HD21 ASN 18 0.481 -1.128 6.894 130 HD22 ASN 18 HD22 ASN 18 0.401 -1.928 8.380 131 H TYR 19 HN TYR 19 -1.132 -3.545 2.282 132 HA TYR 19 HA TYR 19 -3.867 -4.662 2.378 133 HB2 TYR 19 HB2 TYR 19 -2.331 -3.331 0.127 134 HB3 TYR 19 HB1 TYR 19 -4.033 -3.792 0.059 135 HD1 TYR 19 HD1 TYR 19 -5.670 -2.738 1.680 136 HD2 TYR 19 HD2 TYR 19 -1.641 -1.359 1.229 137 HE1 TYR 19 HE1 TYR 19 -6.279 -0.610 2.805 138 HE2 TYR 19 HE2 TYR 19 -2.235 0.769 2.364 139 HH TYR 19 HH TYR 19 -3.821 1.803 3.611 140 H CYS 20 HN CYS 20 -0.805 -5.877 1.780 141 HA CYS 20 HA CYS 20 -1.749 -7.883 -0.199 142 HB2 CYS 20 HB2 CYS 20 0.353 -6.953 -0.805 143 HB3 CYS 20 HB1 CYS 20 0.981 -7.130 0.834 144 H ASN 21 HN ASN 21 -1.757 -10.092 0.289 145 HA ASN 21 HA ASN 21 -2.053 -10.736 3.127 146 HB2 ASN 21 HB2 ASN 21 -2.460 -13.074 2.082 147 HB3 ASN 21 HB1 ASN 21 -3.633 -11.810 1.738 148 HD21 ASN 21 HD21 ASN 21 -4.101 -13.103 -0.285 149 HD22 ASN 21 HD22 ASN 21 -3.077 -12.916 -1.624 150 H1 PHE 22 HT1 PHE 22 12.936 1.443 -0.714 151 H2 PHE 22 HT2 PHE 22 12.286 -0.120 -0.858 152 H3 PHE 22 HT3 PHE 22 11.672 0.955 0.306 153 HA PHE 22 HA PHE 22 11.279 0.936 -2.607 154 HB2 PHE 22 HB2 PHE 22 9.705 0.047 -0.658 155 HB3 PHE 22 HB1 PHE 22 9.271 1.747 -0.508 156 HD1 PHE 22 HD1 PHE 22 7.969 2.865 -2.222 157 HD2 PHE 22 HD2 PHE 22 9.305 -1.177 -2.776 158 HE1 PHE 22 HE1 PHE 22 6.469 2.640 -4.181 159 HE2 PHE 22 HE2 PHE 22 7.804 -1.403 -4.737 160 HZ PHE 22 HZ PHE 22 6.387 0.506 -5.440 161 H VAL 23 HN VAL 23 10.617 2.910 -3.649 162 HA VAL 23 HA VAL 23 11.920 5.282 -2.556 163 HB VAL 23 HB VAL 23 11.853 4.744 -5.016 164 HG11 VAL 23 HG11 VAL 23 9.378 4.037 -4.871 165 HG12 VAL 23 HG12 VAL 23 9.834 5.022 -6.260 166 HG13 VAL 23 HG13 VAL 23 9.002 5.760 -4.892 167 HG21 VAL 23 HG21 VAL 23 10.530 7.375 -4.284 168 HG22 VAL 23 HG22 VAL 23 11.554 7.058 -5.684 169 HG23 VAL 23 HG23 VAL 23 12.249 7.051 -4.063 170 H ASN 24 HN ASN 24 10.853 7.270 -2.037 171 HA ASN 24 HA ASN 24 8.087 6.888 -1.012 172 HB2 ASN 24 HB2 ASN 24 9.636 9.394 -0.509 173 HB3 ASN 24 HB1 ASN 24 8.589 8.498 0.567 174 HD21 ASN 24 HD21 ASN 24 11.199 9.390 1.352 175 HD22 ASN 24 HD22 ASN 24 12.150 8.015 1.622 176 H GLN 25 HN GLN 25 6.896 7.158 -2.928 177 HA GLN 25 HA GLN 25 6.819 9.940 -3.990 178 HB2 GLN 25 HB2 GLN 25 8.239 8.537 -5.507 179 HB3 GLN 25 HB1 GLN 25 6.861 7.469 -5.758 180 HG2 GLN 25 HG2 GLN 25 5.581 9.590 -6.504 181 HG3 GLN 25 HG1 GLN 25 7.164 10.349 -6.587 182 HE21 GLN 25 HE21 GLN 25 8.523 7.848 -7.372 183 HE22 GLN 25 HE22 GLN 25 8.097 7.589 -8.984 184 H HIS 26 HN HIS 26 4.760 10.602 -4.648 185 HA HIS 26 HA HIS 26 2.523 9.177 -3.531 186 HB2 HIS 26 HB2 HIS 26 2.462 11.387 -5.606 187 HB3 HIS 26 HB1 HIS 26 1.159 10.921 -4.522 188 HD1 HIS 26 HD1 HIS 26 0.970 12.366 -2.509 189 HD2 HIS 26 HD2 HIS 26 4.889 12.232 -3.929 190 HE1 HIS 26 HE1 HIS 26 2.325 13.916 -1.029 191 HE2 HIS 26 HE2 HIS 26 4.706 13.858 -1.898 192 H LEU 27 HN LEU 27 1.897 7.248 -4.461 193 HA LEU 27 HA LEU 27 2.118 6.893 -7.389 194 HB2 LEU 27 HB2 LEU 27 1.036 4.922 -5.380 195 HB3 LEU 27 HB1 LEU 27 1.671 4.593 -6.978 196 HG LEU 27 HG LEU 27 3.410 5.832 -4.837 197 HD11 LEU 27 HD11 LEU 27 2.502 3.700 -3.977 198 HD12 LEU 27 HD12 LEU 27 4.227 3.581 -4.326 199 HD13 LEU 27 HD13 LEU 27 3.051 2.888 -5.443 200 HD21 LEU 27 HD21 LEU 27 3.939 4.257 -7.371 201 HD22 LEU 27 HD22 LEU 27 5.185 4.777 -6.237 202 HD23 LEU 27 HD23 LEU 27 4.242 5.976 -7.119 203 H CYS 28 HN CYS 28 0.324 6.386 -8.685 204 HA CYS 28 HA CYS 28 -2.388 6.444 -7.583 205 HB2 CYS 28 HB2 CYS 28 -1.525 8.563 -9.576 206 HB3 CYS 28 HB1 CYS 28 -3.126 8.363 -8.877 207 H GLY 29 HN GLY 29 -3.917 6.497 -9.753 208 HA2 GLY 29 HA2 GLY 29 -4.548 5.127 -11.569 209 HA3 GLY 29 HA1 GLY 29 -2.973 5.573 -12.222 210 H SER 30 HN SER 30 -2.470 3.528 -13.061 211 HA SER 30 HA SER 30 -2.707 1.121 -11.447 212 HB2 SER 30 HB2 SER 30 -0.949 1.367 -13.885 213 HB3 SER 30 HB1 SER 30 -1.838 -0.038 -13.299 214 HG SER 30 HG SER 30 -3.764 1.331 -13.699 215 H ASP 31 HN ASP 31 -0.314 3.608 -11.757 216 HA ASP 31 HA ASP 31 2.101 2.307 -11.202 217 HB2 ASP 31 HB2 ASP 31 1.185 4.824 -9.774 218 HB3 ASP 31 HB1 ASP 31 2.842 4.344 -10.131 219 H LEU 32 HN LEU 32 -0.185 3.539 -8.767 220 HA LEU 32 HA LEU 32 0.960 2.448 -6.451 221 HB2 LEU 32 HB2 LEU 32 -0.935 3.939 -6.326 222 HB3 LEU 32 HB1 LEU 32 -1.934 2.836 -7.264 223 HG LEU 32 HG LEU 32 -1.887 1.198 -5.442 224 HD11 LEU 32 HD11 LEU 32 -0.893 2.059 -3.222 225 HD12 LEU 32 HD12 LEU 32 -0.013 3.221 -4.207 226 HD13 LEU 32 HD13 LEU 32 0.248 1.495 -4.439 227 HD21 LEU 32 HD21 LEU 32 -2.520 3.975 -4.423 228 HD22 LEU 32 HD22 LEU 32 -3.205 2.462 -3.850 229 HD23 LEU 32 HD23 LEU 32 -3.572 3.034 -5.474 230 H VAL 33 HN VAL 33 -1.578 0.930 -8.484 231 HA VAL 33 HA VAL 33 -1.709 -1.564 -7.220 232 HB VAL 33 HB VAL 33 -1.921 -0.805 -10.139 233 HG11 VAL 33 HG11 VAL 33 -1.261 -3.064 -10.329 234 HG12 VAL 33 HG12 VAL 33 -3.020 -3.171 -10.293 235 HG13 VAL 33 HG13 VAL 33 -2.086 -3.529 -8.841 236 HG21 VAL 33 HG21 VAL 33 -3.687 -0.024 -8.634 237 HG22 VAL 33 HG22 VAL 33 -3.924 -1.668 -8.039 238 HG23 VAL 33 HG23 VAL 33 -4.312 -1.270 -9.714 239 H GLU 34 HN GLU 34 0.284 -0.787 -10.057 240 HA GLU 34 HA GLU 34 1.711 -3.077 -10.366 241 HB2 GLU 34 HB2 GLU 34 2.415 -0.191 -10.649 242 HB3 GLU 34 HB1 GLU 34 3.710 -1.364 -10.828 243 HG2 GLU 34 HG2 GLU 34 2.377 -2.542 -12.559 244 HG3 GLU 34 HG1 GLU 34 1.122 -1.314 -12.403 245 H ALA 35 HN ALA 35 2.328 -0.562 -7.943 246 HA ALA 35 HA ALA 35 4.660 -1.696 -6.787 247 HB1 ALA 35 HB1 ALA 35 3.460 0.562 -6.282 248 HB2 ALA 35 HB2 ALA 35 4.237 -0.278 -4.941 249 HB3 ALA 35 HB3 ALA 35 2.489 -0.380 -5.150 250 H LEU 36 HN LEU 36 1.271 -2.060 -5.627 251 HA LEU 36 HA LEU 36 1.762 -4.160 -3.827 252 HB2 LEU 36 HB2 LEU 36 -0.621 -3.690 -5.636 253 HB3 LEU 36 HB1 LEU 36 -0.606 -4.888 -4.344 254 HG LEU 36 HG LEU 36 0.124 -2.023 -3.725 255 HD11 LEU 36 HD11 LEU 36 -2.685 -3.149 -3.787 256 HD12 LEU 36 HD12 LEU 36 -2.047 -1.984 -4.943 257 HD13 LEU 36 HD13 LEU 36 -2.220 -1.542 -3.247 258 HD21 LEU 36 HD21 LEU 36 0.453 -3.795 -2.015 259 HD22 LEU 36 HD22 LEU 36 -1.243 -4.231 -2.160 260 HD23 LEU 36 HD23 LEU 36 -0.792 -2.653 -1.525 261 H TYR 37 HN TYR 37 0.990 -4.332 -7.294 262 HA TYR 37 HA TYR 37 1.130 -7.136 -7.597 263 HB2 TYR 37 HB2 TYR 37 0.522 -5.299 -9.334 264 HB3 TYR 37 HB1 TYR 37 2.247 -5.194 -9.629 265 HD1 TYR 37 HD1 TYR 37 -0.768 -7.166 -10.116 266 HD2 TYR 37 HD2 TYR 37 3.514 -7.199 -10.440 267 HE1 TYR 37 HE1 TYR 37 -0.895 -9.163 -11.579 268 HE2 TYR 37 HE2 TYR 37 3.388 -9.198 -11.904 269 HH TYR 37 HH TYR 37 0.705 -11.112 -12.168 270 H LEU 38 HN LEU 38 3.565 -4.738 -7.038 271 HA LEU 38 HA LEU 38 5.827 -6.502 -7.673 272 HB2 LEU 38 HB2 LEU 38 5.548 -3.838 -7.784 273 HB3 LEU 38 HB1 LEU 38 6.072 -3.942 -6.120 274 HG LEU 38 HG LEU 38 8.021 -5.392 -7.033 275 HD11 LEU 38 HD11 LEU 38 7.004 -4.032 -9.547 276 HD12 LEU 38 HD12 LEU 38 7.247 -5.760 -9.298 277 HD13 LEU 38 HD13 LEU 38 8.633 -4.678 -9.381 278 HD21 LEU 38 HD21 LEU 38 7.688 -2.425 -7.539 279 HD22 LEU 38 HD22 LEU 38 9.240 -3.253 -7.671 280 HD23 LEU 38 HD23 LEU 38 8.398 -3.198 -6.122 281 H VAL 39 HN VAL 39 4.811 -4.724 -4.760 282 HA VAL 39 HA VAL 39 6.322 -6.077 -2.835 283 HB VAL 39 HB VAL 39 3.498 -4.996 -2.506 284 HG11 VAL 39 HG11 VAL 39 4.472 -6.347 -0.597 285 HG12 VAL 39 HG12 VAL 39 4.054 -4.682 -0.208 286 HG13 VAL 39 HG13 VAL 39 5.738 -5.125 -0.484 287 HG21 VAL 39 HG21 VAL 39 4.834 -3.285 -3.507 288 HG22 VAL 39 HG22 VAL 39 6.195 -3.644 -2.445 289 HG23 VAL 39 HG23 VAL 39 4.729 -2.932 -1.784 290 H CYS 40 HN CYS 40 2.921 -6.724 -3.678 291 HA CYS 40 HA CYS 40 2.854 -9.164 -2.144 292 HB2 CYS 40 HB2 CYS 40 0.962 -7.476 -3.048 293 HB3 CYS 40 HB1 CYS 40 0.854 -8.697 -4.311 294 H GLY 41 HN GLY 41 3.559 -8.444 -5.524 295 HA2 GLY 41 HA2 GLY 41 4.148 -9.905 -7.284 296 HA3 GLY 41 HA1 GLY 41 4.973 -10.804 -6.012 297 H GLU 42 HN GLU 42 4.325 -12.888 -5.872 298 HA GLU 42 HA GLU 42 1.824 -13.745 -7.136 299 HB2 GLU 42 HB2 GLU 42 3.675 -15.493 -5.535 300 HB3 GLU 42 HB1 GLU 42 2.621 -15.951 -6.871 301 HG2 GLU 42 HG2 GLU 42 5.099 -14.212 -7.044 302 HG3 GLU 42 HG1 GLU 42 4.919 -15.850 -7.675 303 H ARG 43 HN ARG 43 2.694 -12.726 -4.009 304 HA ARG 43 HA ARG 43 1.116 -14.445 -2.386 305 HB2 ARG 43 HB2 ARG 43 1.883 -11.550 -2.064 306 HB3 ARG 43 HB1 ARG 43 0.957 -12.406 -0.847 307 HG2 ARG 43 HG2 ARG 43 2.771 -14.078 -0.672 308 HG3 ARG 43 HG1 ARG 43 3.704 -13.169 -1.863 309 HD2 ARG 43 HD2 ARG 43 3.301 -11.138 -0.222 310 HD3 ARG 43 HD1 ARG 43 3.002 -12.414 0.964 311 HE ARG 43 HE ARG 43 5.450 -12.922 -0.471 312 HH11 ARG 43 HH11 ARG 43 7.382 -12.570 0.649 313 HH12 ARG 43 HH12 ARG 43 7.371 -11.601 2.084 314 HH21 ARG 43 HH21 ARG 43 3.962 -10.978 1.956 315 HH22 ARG 43 HH22 ARG 43 5.435 -10.700 2.824 316 H GLY 44 HN GLY 44 0.229 -11.658 -4.328 317 HA2 GLY 44 HA2 GLY 44 -1.947 -11.250 -5.243 318 HA3 GLY 44 HA1 GLY 44 -2.614 -12.449 -4.134 319 H TYR 45 HN TYR 45 -2.846 -9.295 -4.773 320 HA TYR 45 HA TYR 45 -3.115 -8.493 -1.899 321 HB2 TYR 45 HB2 TYR 45 -2.720 -6.172 -2.672 322 HB3 TYR 45 HB1 TYR 45 -1.354 -7.200 -3.034 323 HD1 TYR 45 HD1 TYR 45 -3.861 -5.025 -4.423 324 HD2 TYR 45 HD2 TYR 45 -1.195 -8.247 -5.333 325 HE1 TYR 45 HE1 TYR 45 -4.039 -4.482 -6.827 326 HE2 TYR 45 HE2 TYR 45 -1.372 -7.719 -7.753 327 HH TYR 45 HH TYR 45 -1.984 -5.988 -9.210 328 H PHE 46 HN PHE 46 -4.701 -6.517 -1.815 329 HA PHE 46 HA PHE 46 -7.086 -7.126 -3.535 330 HB2 PHE 46 HB2 PHE 46 -8.411 -7.459 -1.699 331 HB3 PHE 46 HB1 PHE 46 -6.899 -7.750 -0.868 332 HD1 PHE 46 HD1 PHE 46 -6.440 -6.513 1.051 333 HD2 PHE 46 HD2 PHE 46 -9.150 -4.927 -1.861 334 HE1 PHE 46 HE1 PHE 46 -6.926 -4.601 2.558 335 HE2 PHE 46 HE2 PHE 46 -9.645 -3.008 -0.362 336 HZ PHE 46 HZ PHE 46 -8.531 -2.847 1.849 337 H TYR 47 HN TYR 47 -7.425 -5.437 -4.791 338 HA TYR 47 HA TYR 47 -7.121 -2.672 -3.659 339 HB2 TYR 47 HB2 TYR 47 -5.250 -3.241 -5.215 340 HB3 TYR 47 HB1 TYR 47 -6.437 -3.550 -6.483 341 HD1 TYR 47 HD1 TYR 47 -5.002 -0.954 -4.261 342 HD2 TYR 47 HD2 TYR 47 -7.572 -1.754 -7.610 343 HE1 TYR 47 HE1 TYR 47 -5.106 1.462 -4.760 344 HE2 TYR 47 HE2 TYR 47 -7.666 0.672 -8.116 345 HH TYR 47 HH TYR 47 -5.709 2.787 -7.333 346 H THR 48 HN THR 48 -9.225 -1.983 -3.512 347 HA THR 48 HA THR 48 -10.802 -1.667 -5.913 348 HB THR 48 HB THR 48 -11.494 -3.895 -5.775 349 HG1 THR 48 HG1 THR 48 -13.529 -3.574 -4.250 350 HG21 THR 48 HG21 THR 48 -12.135 -4.895 -3.496 351 HG22 THR 48 HG22 THR 48 -11.306 -3.508 -2.790 352 HG23 THR 48 HG23 THR 48 -10.418 -4.645 -3.805 353 H LYS 49 HN LYS 49 -10.167 0.350 -4.507 354 HA LYS 49 HA LYS 49 -12.631 1.188 -3.120 355 HB2 LYS 49 HB2 LYS 49 -9.939 0.948 -1.770 356 HB3 LYS 49 HB1 LYS 49 -11.114 2.148 -1.238 357 HG2 LYS 49 HG2 LYS 49 -12.799 0.268 -1.012 358 HG3 LYS 49 HG1 LYS 49 -11.478 -0.860 -1.313 359 HD2 LYS 49 HD2 LYS 49 -10.329 -0.199 0.670 360 HD3 LYS 49 HD1 LYS 49 -11.352 1.222 0.879 361 HE2 LYS 49 HE2 LYS 49 -13.317 -0.313 1.188 362 HE3 LYS 49 HE1 LYS 49 -12.198 -1.675 1.155 363 HZ1 LYS 49 HZ1 LYS 49 -11.078 -0.821 3.067 364 HZ2 LYS 49 HZ2 LYS 49 -12.739 -0.888 3.416 365 HZ3 LYS 49 HZ3 LYS 49 -12.004 0.600 3.050 366 HA PRO 50 HA PRO 50 -10.311 4.006 -6.281 367 HB2 PRO 50 HB2 PRO 50 -13.153 4.868 -6.434 368 HB3 PRO 50 HB1 PRO 50 -12.032 4.449 -7.742 369 HG2 PRO 50 HG2 PRO 50 -14.048 2.795 -6.528 370 HG3 PRO 50 HG1 PRO 50 -12.954 2.386 -7.859 371 HD2 PRO 50 HD2 PRO 50 -12.853 1.206 -5.363 372 HD3 PRO 50 HD1 PRO 50 -11.469 1.303 -6.470 373 H THR 51 HN THR 51 -12.589 4.523 -3.608 374 HA THR 51 HA THR 51 -12.564 7.296 -3.364 375 HB THR 51 HB THR 51 -13.714 5.558 -1.847 376 HG1 THR 51 HG1 THR 51 -12.414 7.688 -0.519 377 HG21 THR 51 HG21 THR 51 -12.571 4.821 0.113 378 HG22 THR 51 HG22 THR 51 -11.199 5.882 -0.199 379 HG23 THR 51 HG23 THR 51 -11.479 4.479 -1.225 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 -8.655 5.111 2.705 2 H2 GLY 1 HT2 GLY 1 -9.968 4.033 2.706 3 H3 GLY 1 HT3 GLY 1 -9.861 5.242 1.518 4 HA2 GLY 1 HA2 GLY 1 -8.923 2.541 1.432 5 HA3 GLY 1 HA1 GLY 1 -8.625 3.868 0.272 6 H ILE 2 HN ILE 2 -6.876 2.106 0.054 7 HA ILE 2 HA ILE 2 -4.454 3.341 0.953 8 HB ILE 2 HB ILE 2 -4.591 1.004 0.129 9 HG12 ILE 2 HG12 ILE 2 -2.738 2.654 -1.608 10 HG13 ILE 2 HG11 ILE 2 -2.446 2.368 0.102 11 HG21 ILE 2 HG21 ILE 2 -6.176 1.438 -1.731 12 HG22 ILE 2 HG22 ILE 2 -4.746 0.565 -2.277 13 HG23 ILE 2 HG23 ILE 2 -4.903 2.286 -2.600 14 HD11 ILE 2 HD11 ILE 2 -2.948 -0.198 -0.984 15 HD12 ILE 2 HD12 ILE 2 -1.394 0.465 -0.488 16 HD13 ILE 2 HD13 ILE 2 -1.920 0.619 -2.158 17 H VAL 3 HN VAL 3 -6.453 3.805 -1.908 18 HA VAL 3 HA VAL 3 -4.714 5.357 -3.493 19 HB VAL 3 HB VAL 3 -7.667 5.911 -3.143 20 HG11 VAL 3 HG11 VAL 3 -5.828 5.967 -5.542 21 HG12 VAL 3 HG12 VAL 3 -6.329 7.383 -4.617 22 HG13 VAL 3 HG13 VAL 3 -7.525 6.447 -5.514 23 HG21 VAL 3 HG21 VAL 3 -6.266 3.615 -4.523 24 HG22 VAL 3 HG22 VAL 3 -7.901 4.119 -4.951 25 HG23 VAL 3 HG23 VAL 3 -7.555 3.536 -3.322 26 H GLU 4 HN GLU 4 -6.774 6.291 -0.785 27 HA GLU 4 HA GLU 4 -6.193 9.120 -1.077 28 HB2 GLU 4 HB2 GLU 4 -7.162 7.828 1.472 29 HB3 GLU 4 HB1 GLU 4 -7.527 9.435 0.841 30 HG2 GLU 4 HG2 GLU 4 -8.623 8.210 -1.151 31 HG3 GLU 4 HG1 GLU 4 -8.547 6.766 -0.140 32 H GLN 5 HN GLN 5 -4.554 6.465 0.423 33 HA GLN 5 HA GLN 5 -2.971 8.237 2.191 34 HB2 GLN 5 HB2 GLN 5 -2.767 5.254 1.689 35 HB3 GLN 5 HB1 GLN 5 -1.914 6.151 2.946 36 HG2 GLN 5 HG2 GLN 5 -4.077 6.827 3.930 37 HG3 GLN 5 HG1 GLN 5 -4.926 5.915 2.681 38 HE21 GLN 5 HE21 GLN 5 -2.134 4.211 3.321 39 HE22 GLN 5 HE22 GLN 5 -2.729 3.131 4.486 40 H CYS 6 HN CYS 6 -2.511 6.305 -0.769 41 HA CYS 6 HA CYS 6 0.330 7.103 -0.886 42 HB2 CYS 6 HB2 CYS 6 -1.164 5.420 -2.880 43 HB3 CYS 6 HB1 CYS 6 0.547 5.404 -2.488 44 H CYS 7 HN CYS 7 -2.716 7.905 -2.476 45 HA CYS 7 HA CYS 7 -1.267 9.323 -4.634 46 HB2 CYS 7 HB2 CYS 7 -3.476 8.030 -4.937 47 HB3 CYS 7 HB1 CYS 7 -4.244 9.393 -4.148 48 H THR 8 HN THR 8 -3.737 10.246 -2.215 49 HA THR 8 HA THR 8 -3.273 13.056 -2.502 50 HB THR 8 HB THR 8 -4.223 11.685 0.022 51 HG1 THR 8 HG1 THR 8 -6.305 11.783 -0.999 52 HG21 THR 8 HG21 THR 8 -5.642 13.702 0.144 53 HG22 THR 8 HG22 THR 8 -4.895 14.295 -1.341 54 HG23 THR 8 HG23 THR 8 -3.923 14.093 0.118 55 H SER 9 HN SER 9 -1.462 10.558 -1.119 56 HA SER 9 HA SER 9 0.492 12.451 -0.028 57 HB2 SER 9 HB2 SER 9 -0.598 10.388 1.873 58 HB3 SER 9 HB1 SER 9 0.256 11.884 2.233 59 HG SER 9 HG SER 9 -1.569 13.028 1.596 60 H ILE 10 HN ILE 10 2.383 11.059 0.966 61 HA ILE 10 HA ILE 10 2.888 8.855 -0.947 62 HB ILE 10 HB ILE 10 4.679 10.172 1.116 63 HG12 ILE 10 HG12 ILE 10 4.748 10.435 -1.891 64 HG13 ILE 10 HG11 ILE 10 3.810 11.520 -0.882 65 HG21 ILE 10 HG21 ILE 10 5.413 7.869 0.572 66 HG22 ILE 10 HG22 ILE 10 6.510 9.056 -0.128 67 HG23 ILE 10 HG23 ILE 10 5.322 8.248 -1.149 68 HD11 ILE 10 HD11 ILE 10 6.165 12.303 -1.458 69 HD12 ILE 10 HD12 ILE 10 6.745 11.007 -0.414 70 HD13 ILE 10 HD13 ILE 10 5.755 12.302 0.257 71 H CYS 11 HN CYS 11 2.941 6.729 -0.383 72 HA CYS 11 HA CYS 11 2.128 6.019 2.393 73 HB2 CYS 11 HB2 CYS 11 2.092 4.576 -0.256 74 HB3 CYS 11 HB1 CYS 11 1.929 3.679 1.252 75 H SER 12 HN SER 12 3.130 3.902 3.196 76 HA SER 12 HA SER 12 6.079 3.846 2.633 77 HB2 SER 12 HB2 SER 12 4.586 3.390 5.227 78 HB3 SER 12 HB1 SER 12 6.294 3.032 5.003 79 HG SER 12 HG SER 12 6.376 5.064 5.681 80 H LEU 13 HN LEU 13 6.986 1.790 2.396 81 HA LEU 13 HA LEU 13 5.571 -0.241 1.200 82 HB2 LEU 13 HB2 LEU 13 8.172 0.128 1.922 83 HB3 LEU 13 HB1 LEU 13 7.742 -1.142 3.058 84 HG LEU 13 HG LEU 13 6.931 -2.530 1.157 85 HD11 LEU 13 HD11 LEU 13 8.057 -1.498 -1.124 86 HD12 LEU 13 HD12 LEU 13 7.500 -0.023 -0.335 87 HD13 LEU 13 HD13 LEU 13 6.360 -1.317 -0.692 88 HD21 LEU 13 HD21 LEU 13 9.239 -2.740 2.017 89 HD22 LEU 13 HD22 LEU 13 9.775 -1.508 0.875 90 HD23 LEU 13 HD23 LEU 13 9.177 -3.058 0.283 91 H TYR 14 HN TYR 14 5.859 0.323 4.689 92 HA TYR 14 HA TYR 14 4.765 -2.217 5.467 93 HB2 TYR 14 HB2 TYR 14 5.099 -1.404 7.569 94 HB3 TYR 14 HB1 TYR 14 5.712 0.058 6.808 95 HD1 TYR 14 HD1 TYR 14 4.611 2.090 7.165 96 HD2 TYR 14 HD2 TYR 14 2.530 -1.564 7.897 97 HE1 TYR 14 HE1 TYR 14 2.724 3.378 8.136 98 HE2 TYR 14 HE2 TYR 14 0.634 -0.301 8.870 99 HH TYR 14 HH TYR 14 0.712 2.533 10.020 100 H GLN 15 HN GLN 15 3.281 0.814 4.459 101 HA GLN 15 HA GLN 15 0.588 -0.054 5.116 102 HB2 GLN 15 HB2 GLN 15 1.413 2.120 3.164 103 HB3 GLN 15 HB1 GLN 15 -0.130 1.957 3.991 104 HG2 GLN 15 HG2 GLN 15 0.894 2.402 6.134 105 HG3 GLN 15 HG1 GLN 15 2.502 2.369 5.416 106 HE21 GLN 15 HE21 GLN 15 0.607 3.772 3.107 107 HE22 GLN 15 HE22 GLN 15 0.809 5.404 3.517 108 H LEU 16 HN LEU 16 2.711 -0.084 2.312 109 HA LEU 16 HA LEU 16 0.710 -0.941 0.428 110 HB2 LEU 16 HB2 LEU 16 3.178 0.110 0.183 111 HB3 LEU 16 HB1 LEU 16 3.620 -1.579 0.047 112 HG LEU 16 HG LEU 16 2.045 -1.850 -1.818 113 HD11 LEU 16 HD11 LEU 16 0.301 -0.401 -1.797 114 HD12 LEU 16 HD12 LEU 16 1.366 0.644 -2.721 115 HD13 LEU 16 HD13 LEU 16 1.211 0.865 -0.980 116 HD21 LEU 16 HD21 LEU 16 3.442 0.491 -2.866 117 HD22 LEU 16 HD22 LEU 16 3.673 -1.209 -3.228 118 HD23 LEU 16 HD23 LEU 16 4.499 -0.485 -1.851 119 H GLU 17 HN GLU 17 3.324 -2.644 2.157 120 HA GLU 17 HA GLU 17 2.665 -5.257 1.199 121 HB2 GLU 17 HB2 GLU 17 3.846 -4.487 3.895 122 HB3 GLU 17 HB1 GLU 17 3.939 -6.080 3.145 123 HG2 GLU 17 HG2 GLU 17 5.455 -5.377 1.512 124 HG3 GLU 17 HG1 GLU 17 4.968 -3.686 1.638 125 H ASN 18 HN ASN 18 1.247 -3.161 3.505 126 HA ASN 18 HA ASN 18 -0.151 -5.072 5.123 127 HB2 ASN 18 HB2 ASN 18 -0.015 -2.188 4.773 128 HB3 ASN 18 HB1 ASN 18 -1.655 -2.669 5.092 129 HD21 ASN 18 HD21 ASN 18 0.560 -1.303 6.772 130 HD22 ASN 18 HD22 ASN 18 0.486 -2.185 8.212 131 H TYR 19 HN TYR 19 -0.959 -3.544 2.005 132 HA TYR 19 HA TYR 19 -3.683 -4.697 2.059 133 HB2 TYR 19 HB2 TYR 19 -2.167 -3.222 -0.110 134 HB3 TYR 19 HB1 TYR 19 -3.847 -3.741 -0.237 135 HD1 TYR 19 HD1 TYR 19 -5.544 -2.857 1.444 136 HD2 TYR 19 HD2 TYR 19 -1.586 -1.256 1.056 137 HE1 TYR 19 HE1 TYR 19 -6.256 -0.808 2.652 138 HE2 TYR 19 HE2 TYR 19 -2.288 0.791 2.274 139 HH TYR 19 HH TYR 19 -4.164 1.345 4.002 140 H CYS 20 HN CYS 20 -0.653 -5.923 1.505 141 HA CYS 20 HA CYS 20 -1.534 -7.783 -0.641 142 HB2 CYS 20 HB2 CYS 20 0.611 -6.866 -1.084 143 HB3 CYS 20 HB1 CYS 20 1.158 -7.163 0.565 144 H ASN 21 HN ASN 21 -1.612 -10.007 -0.298 145 HA ASN 21 HA ASN 21 -2.372 -10.923 2.277 146 HB2 ASN 21 HB2 ASN 21 -1.258 -12.749 0.150 147 HB3 ASN 21 HB1 ASN 21 -2.590 -13.027 1.265 148 HD21 ASN 21 HD21 ASN 21 -3.103 -13.474 -1.430 149 HD22 ASN 21 HD22 ASN 21 -4.095 -12.243 -2.046 150 H1 PHE 22 HT1 PHE 22 13.078 1.601 -0.554 151 H2 PHE 22 HT2 PHE 22 12.044 0.272 -0.328 152 H3 PHE 22 HT3 PHE 22 11.822 1.690 0.581 153 HA PHE 22 HA PHE 22 11.489 1.447 -2.358 154 HB2 PHE 22 HB2 PHE 22 9.769 0.444 -0.590 155 HB3 PHE 22 HB1 PHE 22 9.281 2.127 -0.422 156 HD1 PHE 22 HD1 PHE 22 8.068 3.256 -2.178 157 HD2 PHE 22 HD2 PHE 22 9.639 -0.691 -2.804 158 HE1 PHE 22 HE1 PHE 22 6.755 3.068 -4.271 159 HE2 PHE 22 HE2 PHE 22 8.325 -0.881 -4.899 160 HZ PHE 22 HZ PHE 22 6.883 0.999 -5.632 161 H VAL 23 HN VAL 23 10.768 3.461 -3.338 162 HA VAL 23 HA VAL 23 11.960 5.808 -2.051 163 HB VAL 23 HB VAL 23 12.099 5.364 -4.528 164 HG11 VAL 23 HG11 VAL 23 10.184 5.661 -5.919 165 HG12 VAL 23 HG12 VAL 23 9.229 6.325 -4.593 166 HG13 VAL 23 HG13 VAL 23 9.640 4.610 -4.611 167 HG21 VAL 23 HG21 VAL 23 11.841 7.688 -5.133 168 HG22 VAL 23 HG22 VAL 23 12.359 7.646 -3.448 169 HG23 VAL 23 HG23 VAL 23 10.667 7.948 -3.842 170 H ASN 24 HN ASN 24 10.780 7.783 -1.638 171 HA ASN 24 HA ASN 24 7.967 7.275 -0.776 172 HB2 ASN 24 HB2 ASN 24 8.702 9.841 0.105 173 HB3 ASN 24 HB1 ASN 24 8.719 8.376 1.080 174 HD21 ASN 24 HD21 ASN 24 10.749 7.634 1.794 175 HD22 ASN 24 HD22 ASN 24 12.233 8.278 1.281 176 H GLN 25 HN GLN 25 6.900 7.504 -2.767 177 HA GLN 25 HA GLN 25 6.803 10.293 -3.826 178 HB2 GLN 25 HB2 GLN 25 8.274 8.858 -5.281 179 HB3 GLN 25 HB1 GLN 25 6.888 7.809 -5.573 180 HG2 GLN 25 HG2 GLN 25 5.677 9.995 -6.329 181 HG3 GLN 25 HG1 GLN 25 7.299 10.663 -6.433 182 HE21 GLN 25 HE21 GLN 25 8.561 8.140 -7.210 183 HE22 GLN 25 HE22 GLN 25 8.091 7.852 -8.805 184 H HIS 26 HN HIS 26 4.753 10.936 -4.516 185 HA HIS 26 HA HIS 26 2.509 9.477 -3.454 186 HB2 HIS 26 HB2 HIS 26 2.478 11.725 -5.490 187 HB3 HIS 26 HB1 HIS 26 1.151 11.227 -4.450 188 HD1 HIS 26 HD1 HIS 26 0.894 12.647 -2.428 189 HD2 HIS 26 HD2 HIS 26 4.859 12.532 -3.716 190 HE1 HIS 26 HE1 HIS 26 2.201 14.160 -0.869 191 HE2 HIS 26 HE2 HIS 26 4.610 14.115 -1.659 192 H LEU 27 HN LEU 27 1.918 7.557 -4.420 193 HA LEU 27 HA LEU 27 2.175 7.250 -7.351 194 HB2 LEU 27 HB2 LEU 27 1.112 5.229 -5.380 195 HB3 LEU 27 HB1 LEU 27 1.767 4.937 -6.978 196 HG LEU 27 HG LEU 27 3.469 6.175 -4.807 197 HD11 LEU 27 HD11 LEU 27 4.311 3.933 -4.304 198 HD12 LEU 27 HD12 LEU 27 3.159 3.230 -5.440 199 HD13 LEU 27 HD13 LEU 27 2.581 4.023 -3.974 200 HD21 LEU 27 HD21 LEU 27 5.270 5.159 -6.201 201 HD22 LEU 27 HD22 LEU 27 4.314 6.349 -7.083 202 HD23 LEU 27 HD23 LEU 27 4.042 4.626 -7.348 203 H CYS 28 HN CYS 28 0.390 6.749 -8.666 204 HA CYS 28 HA CYS 28 -2.326 6.733 -7.572 205 HB2 CYS 28 HB2 CYS 28 -1.478 8.922 -9.496 206 HB3 CYS 28 HB1 CYS 28 -3.092 8.663 -8.852 207 H GLY 29 HN GLY 29 -3.846 6.809 -9.749 208 HA2 GLY 29 HA2 GLY 29 -4.441 5.472 -11.599 209 HA3 GLY 29 HA1 GLY 29 -2.868 5.953 -12.230 210 H SER 30 HN SER 30 -2.293 3.958 -13.098 211 HA SER 30 HA SER 30 -2.519 1.501 -11.554 212 HB2 SER 30 HB2 SER 30 -0.747 1.838 -13.969 213 HB3 SER 30 HB1 SER 30 -1.621 0.405 -13.429 214 HG SER 30 HG SER 30 -2.443 1.989 -15.225 215 H ASP 31 HN ASP 31 -0.161 4.033 -11.786 216 HA ASP 31 HA ASP 31 2.271 2.758 -11.241 217 HB2 ASP 31 HB2 ASP 31 1.297 5.223 -9.761 218 HB3 ASP 31 HB1 ASP 31 2.967 4.777 -10.100 219 H LEU 32 HN LEU 32 -0.026 3.918 -8.783 220 HA LEU 32 HA LEU 32 1.095 2.776 -6.489 221 HB2 LEU 32 HB2 LEU 32 -0.818 4.243 -6.352 222 HB3 LEU 32 HB1 LEU 32 -1.794 3.148 -7.324 223 HG LEU 32 HG LEU 32 -1.765 1.477 -5.546 224 HD11 LEU 32 HD11 LEU 32 0.370 1.720 -4.539 225 HD12 LEU 32 HD12 LEU 32 -0.758 2.268 -3.302 226 HD13 LEU 32 HD13 LEU 32 0.134 3.444 -4.259 227 HD21 LEU 32 HD21 LEU 32 -3.440 3.323 -5.514 228 HD22 LEU 32 HD22 LEU 32 -2.378 4.227 -4.441 229 HD23 LEU 32 HD23 LEU 32 -3.072 2.702 -3.909 230 H VAL 33 HN VAL 33 -1.413 1.272 -8.569 231 HA VAL 33 HA VAL 33 -1.516 -1.252 -7.362 232 HB VAL 33 HB VAL 33 -1.705 -0.452 -10.274 233 HG11 VAL 33 HG11 VAL 33 -2.817 -2.809 -10.452 234 HG12 VAL 33 HG12 VAL 33 -1.900 -3.179 -8.992 235 HG13 VAL 33 HG13 VAL 33 -1.057 -2.713 -10.468 236 HG21 VAL 33 HG21 VAL 33 -3.454 0.278 -8.629 237 HG22 VAL 33 HG22 VAL 33 -3.795 -1.424 -8.316 238 HG23 VAL 33 HG23 VAL 33 -4.074 -0.749 -9.921 239 H GLU 34 HN GLU 34 0.482 -0.371 -10.161 240 HA GLU 34 HA GLU 34 1.938 -2.638 -10.520 241 HB2 GLU 34 HB2 GLU 34 2.266 0.142 -11.134 242 HB3 GLU 34 HB1 GLU 34 3.839 -0.467 -10.637 243 HG2 GLU 34 HG2 GLU 34 3.659 -2.289 -12.294 244 HG3 GLU 34 HG1 GLU 34 2.071 -1.691 -12.778 245 H ALA 35 HN ALA 35 2.492 -0.210 -8.001 246 HA ALA 35 HA ALA 35 4.843 -1.357 -6.888 247 HB1 ALA 35 HB1 ALA 35 3.557 0.868 -6.313 248 HB2 ALA 35 HB2 ALA 35 4.451 0.038 -5.042 249 HB3 ALA 35 HB3 ALA 35 2.698 -0.144 -5.152 250 H LEU 36 HN LEU 36 1.457 -1.795 -5.748 251 HA LEU 36 HA LEU 36 1.980 -3.948 -4.022 252 HB2 LEU 36 HB2 LEU 36 -0.418 -3.447 -5.802 253 HB3 LEU 36 HB1 LEU 36 -0.383 -4.686 -4.549 254 HG LEU 36 HG LEU 36 0.316 -1.832 -3.846 255 HD11 LEU 36 HD11 LEU 36 -2.476 -3.000 -3.914 256 HD12 LEU 36 HD12 LEU 36 -1.868 -1.794 -5.046 257 HD13 LEU 36 HD13 LEU 36 -2.029 -1.399 -3.336 258 HD21 LEU 36 HD21 LEU 36 0.681 -3.665 -2.200 259 HD22 LEU 36 HD22 LEU 36 -1.017 -4.097 -2.333 260 HD23 LEU 36 HD23 LEU 36 -0.556 -2.538 -1.660 261 H TYR 37 HN TYR 37 1.273 -3.992 -7.510 262 HA TYR 37 HA TYR 37 1.415 -6.804 -7.867 263 HB2 TYR 37 HB2 TYR 37 0.764 -4.982 -9.575 264 HB3 TYR 37 HB1 TYR 37 2.485 -4.783 -9.850 265 HD1 TYR 37 HD1 TYR 37 -0.430 -6.819 -10.513 266 HD2 TYR 37 HD2 TYR 37 3.865 -6.784 -10.588 267 HE1 TYR 37 HE1 TYR 37 -0.441 -8.791 -12.016 268 HE2 TYR 37 HE2 TYR 37 3.854 -8.756 -12.092 269 HH TYR 37 HH TYR 37 1.385 -10.753 -12.485 270 H LEU 38 HN LEU 38 3.814 -4.390 -7.244 271 HA LEU 38 HA LEU 38 6.108 -6.098 -7.918 272 HB2 LEU 38 HB2 LEU 38 5.806 -3.448 -7.975 273 HB3 LEU 38 HB1 LEU 38 6.267 -3.573 -6.292 274 HG LEU 38 HG LEU 38 8.265 -4.998 -7.179 275 HD11 LEU 38 HD11 LEU 38 7.532 -5.226 -9.495 276 HD12 LEU 38 HD12 LEU 38 8.974 -4.217 -9.455 277 HD13 LEU 38 HD13 LEU 38 7.388 -3.477 -9.656 278 HD21 LEU 38 HD21 LEU 38 8.598 -2.857 -6.138 279 HD22 LEU 38 HD22 LEU 38 7.932 -2.008 -7.533 280 HD23 LEU 38 HD23 LEU 38 9.494 -2.818 -7.657 281 H VAL 39 HN VAL 39 5.052 -4.417 -4.966 282 HA VAL 39 HA VAL 39 6.575 -5.799 -3.070 283 HB VAL 39 HB VAL 39 3.740 -4.763 -2.714 284 HG11 VAL 39 HG11 VAL 39 4.285 -4.493 -0.423 285 HG12 VAL 39 HG12 VAL 39 5.994 -4.819 -0.707 286 HG13 VAL 39 HG13 VAL 39 4.813 -6.121 -0.839 287 HG21 VAL 39 HG21 VAL 39 5.006 -3.010 -3.713 288 HG22 VAL 39 HG22 VAL 39 6.409 -3.358 -2.704 289 HG23 VAL 39 HG23 VAL 39 4.955 -2.678 -1.984 290 H CYS 40 HN CYS 40 3.186 -6.449 -3.952 291 HA CYS 40 HA CYS 40 3.109 -8.915 -2.461 292 HB2 CYS 40 HB2 CYS 40 1.216 -7.240 -3.307 293 HB3 CYS 40 HB1 CYS 40 1.155 -8.357 -4.664 294 H GLY 41 HN GLY 41 3.838 -8.131 -5.824 295 HA2 GLY 41 HA2 GLY 41 4.422 -9.562 -7.611 296 HA3 GLY 41 HA1 GLY 41 5.269 -10.467 -6.359 297 H GLU 42 HN GLU 42 4.613 -12.540 -6.127 298 HA GLU 42 HA GLU 42 2.157 -13.450 -7.443 299 HB2 GLU 42 HB2 GLU 42 4.148 -15.020 -5.807 300 HB3 GLU 42 HB1 GLU 42 2.923 -15.688 -6.883 301 HG2 GLU 42 HG2 GLU 42 5.138 -13.823 -7.782 302 HG3 GLU 42 HG1 GLU 42 5.206 -15.580 -7.922 303 H ARG 43 HN ARG 43 3.010 -12.457 -4.270 304 HA ARG 43 HA ARG 43 1.324 -14.127 -2.709 305 HB2 ARG 43 HB2 ARG 43 2.272 -11.291 -2.340 306 HB3 ARG 43 HB1 ARG 43 1.173 -12.025 -1.182 307 HG2 ARG 43 HG2 ARG 43 2.826 -13.913 -0.943 308 HG3 ARG 43 HG1 ARG 43 3.944 -12.980 -1.940 309 HD2 ARG 43 HD2 ARG 43 3.458 -11.048 -0.223 310 HD3 ARG 43 HD1 ARG 43 2.911 -12.366 0.819 311 HE ARG 43 HE ARG 43 5.551 -12.815 -0.363 312 HH11 ARG 43 HH11 ARG 43 7.260 -12.872 1.119 313 HH12 ARG 43 HH12 ARG 43 7.004 -12.307 2.737 314 HH21 ARG 43 HH21 ARG 43 3.678 -11.483 2.207 315 HH22 ARG 43 HH22 ARG 43 4.977 -11.521 3.352 316 H GLY 44 HN GLY 44 0.513 -11.711 -5.004 317 HA2 GLY 44 HA2 GLY 44 -1.600 -11.026 -5.784 318 HA3 GLY 44 HA1 GLY 44 -2.308 -12.281 -4.766 319 H TYR 45 HN TYR 45 -2.555 -9.117 -5.230 320 HA TYR 45 HA TYR 45 -2.890 -8.466 -2.323 321 HB2 TYR 45 HB2 TYR 45 -2.472 -6.107 -2.958 322 HB3 TYR 45 HB1 TYR 45 -1.099 -7.109 -3.362 323 HD1 TYR 45 HD1 TYR 45 -3.602 -4.873 -4.657 324 HD2 TYR 45 HD2 TYR 45 -0.918 -8.039 -5.706 325 HE1 TYR 45 HE1 TYR 45 -3.778 -4.224 -7.036 326 HE2 TYR 45 HE2 TYR 45 -1.094 -7.405 -8.100 327 HH TYR 45 HH TYR 45 -3.132 -4.657 -9.116 328 H PHE 46 HN PHE 46 -4.485 -6.493 -2.188 329 HA PHE 46 HA PHE 46 -6.815 -7.007 -4.018 330 HB2 PHE 46 HB2 PHE 46 -7.029 -6.270 -1.097 331 HB3 PHE 46 HB1 PHE 46 -8.314 -6.810 -2.170 332 HD1 PHE 46 HD1 PHE 46 -6.047 -7.864 0.323 333 HD2 PHE 46 HD2 PHE 46 -7.868 -9.154 -3.349 334 HE1 PHE 46 HE1 PHE 46 -5.590 -10.226 0.925 335 HE2 PHE 46 HE2 PHE 46 -7.411 -11.515 -2.746 336 HZ PHE 46 HZ PHE 46 -6.272 -12.052 -0.609 337 H TYR 47 HN TYR 47 -7.252 -5.214 -5.125 338 HA TYR 47 HA TYR 47 -6.862 -2.538 -3.822 339 HB2 TYR 47 HB2 TYR 47 -5.067 -2.980 -5.482 340 HB3 TYR 47 HB1 TYR 47 -6.296 -3.258 -6.717 341 HD1 TYR 47 HD1 TYR 47 -4.815 -0.728 -4.446 342 HD2 TYR 47 HD2 TYR 47 -7.493 -1.437 -7.731 343 HE1 TYR 47 HE1 TYR 47 -4.958 1.704 -4.858 344 HE2 TYR 47 HE2 TYR 47 -7.630 1.004 -8.145 345 HH TYR 47 HH TYR 47 -6.402 3.012 -7.708 346 H THR 48 HN THR 48 -8.958 -1.908 -3.501 347 HA THR 48 HA THR 48 -10.664 -1.110 -5.597 348 HB THR 48 HB THR 48 -11.143 -3.332 -6.269 349 HG1 THR 48 HG1 THR 48 -13.205 -3.536 -4.616 350 HG21 THR 48 HG21 THR 48 -10.137 -4.730 -4.682 351 HG22 THR 48 HG22 THR 48 -11.849 -5.016 -4.382 352 HG23 THR 48 HG23 THR 48 -10.940 -3.937 -3.326 353 H LYS 49 HN LYS 49 -12.497 -2.879 -3.347 354 HA LYS 49 HA LYS 49 -13.959 -2.087 -1.688 355 HB2 LYS 49 HB2 LYS 49 -11.604 -2.470 -0.625 356 HB3 LYS 49 HB1 LYS 49 -11.530 -0.711 -0.553 357 HG2 LYS 49 HG2 LYS 49 -13.691 -0.701 0.683 358 HG3 LYS 49 HG1 LYS 49 -13.677 -2.465 0.671 359 HD2 LYS 49 HD2 LYS 49 -11.604 -2.505 1.948 360 HD3 LYS 49 HD1 LYS 49 -11.487 -0.746 1.872 361 HE2 LYS 49 HE2 LYS 49 -13.838 -2.188 3.119 362 HE3 LYS 49 HE1 LYS 49 -12.431 -1.662 4.043 363 HZ1 LYS 49 HZ1 LYS 49 -14.529 -0.072 2.781 364 HZ2 LYS 49 HZ2 LYS 49 -12.959 0.578 2.790 365 HZ3 LYS 49 HZ3 LYS 49 -13.723 0.172 4.252 366 HA PRO 50 HA PRO 50 -13.870 2.106 -4.159 367 HB2 PRO 50 HB2 PRO 50 -16.750 1.394 -3.855 368 HB3 PRO 50 HB1 PRO 50 -15.866 1.922 -5.296 369 HG2 PRO 50 HG2 PRO 50 -16.530 -0.759 -4.507 370 HG3 PRO 50 HG1 PRO 50 -15.658 -0.232 -5.956 371 HD2 PRO 50 HD2 PRO 50 -14.510 -1.704 -3.916 372 HD3 PRO 50 HD1 PRO 50 -13.594 -0.652 -5.017 373 H THR 51 HN THR 51 -13.099 3.023 -2.076 374 HA THR 51 HA THR 51 -15.077 3.457 0.054 375 HB THR 51 HB THR 51 -12.785 3.147 0.747 376 HG1 THR 51 HG1 THR 51 -13.435 5.903 0.885 377 HG21 THR 51 HG21 THR 51 -11.029 4.785 0.005 378 HG22 THR 51 HG22 THR 51 -12.191 5.424 -1.158 379 HG23 THR 51 HG23 THR 51 -11.635 3.756 -1.293 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -10.513 3.956 2.208 2 H2 GLY 1 HT2 GLY 1 -10.042 5.101 1.045 3 H3 GLY 1 HT3 GLY 1 -9.156 4.937 2.485 4 HA2 GLY 1 HA2 GLY 1 -9.139 2.335 1.504 5 HA3 GLY 1 HA1 GLY 1 -8.863 3.441 0.127 6 H ILE 2 HN ILE 2 -7.002 1.816 0.272 7 HA ILE 2 HA ILE 2 -4.683 3.226 1.084 8 HB ILE 2 HB ILE 2 -4.663 0.860 0.365 9 HG12 ILE 2 HG12 ILE 2 -2.908 2.555 -1.435 10 HG13 ILE 2 HG11 ILE 2 -2.595 2.308 0.278 11 HG21 ILE 2 HG21 ILE 2 -4.756 0.317 -2.045 12 HG22 ILE 2 HG22 ILE 2 -5.099 2.002 -2.412 13 HG23 ILE 2 HG23 ILE 2 -6.262 1.050 -1.499 14 HD11 ILE 2 HD11 ILE 2 -1.405 0.493 -0.351 15 HD12 ILE 2 HD12 ILE 2 -2.073 0.513 -1.977 16 HD13 ILE 2 HD13 ILE 2 -2.944 -0.297 -0.684 17 H VAL 3 HN VAL 3 -6.665 3.505 -1.789 18 HA VAL 3 HA VAL 3 -4.984 5.028 -3.452 19 HB VAL 3 HB VAL 3 -7.948 5.519 -3.101 20 HG11 VAL 3 HG11 VAL 3 -6.081 5.552 -5.479 21 HG12 VAL 3 HG12 VAL 3 -6.736 6.968 -4.658 22 HG13 VAL 3 HG13 VAL 3 -7.813 5.880 -5.533 23 HG21 VAL 3 HG21 VAL 3 -8.147 3.632 -4.814 24 HG22 VAL 3 HG22 VAL 3 -7.767 3.139 -3.164 25 HG23 VAL 3 HG23 VAL 3 -6.494 3.198 -4.383 26 H GLU 4 HN GLU 4 -7.065 6.042 -0.782 27 HA GLU 4 HA GLU 4 -6.554 8.865 -1.200 28 HB2 GLU 4 HB2 GLU 4 -7.445 7.648 1.415 29 HB3 GLU 4 HB1 GLU 4 -7.849 9.230 0.744 30 HG2 GLU 4 HG2 GLU 4 -8.949 7.909 -1.196 31 HG3 GLU 4 HG1 GLU 4 -8.844 6.516 -0.119 32 H GLN 5 HN GLN 5 -4.814 6.325 0.379 33 HA GLN 5 HA GLN 5 -3.257 8.214 2.045 34 HB2 GLN 5 HB2 GLN 5 -3.970 5.848 2.758 35 HB3 GLN 5 HB1 GLN 5 -2.715 5.269 1.679 36 HG2 GLN 5 HG2 GLN 5 -1.579 5.426 3.730 37 HG3 GLN 5 HG1 GLN 5 -1.164 6.937 2.938 38 HE21 GLN 5 HE21 GLN 5 -4.211 6.043 4.524 39 HE22 GLN 5 HE22 GLN 5 -4.170 7.283 5.669 40 H CYS 6 HN CYS 6 -2.772 6.159 -0.830 41 HA CYS 6 HA CYS 6 0.027 7.081 -1.044 42 HB2 CYS 6 HB2 CYS 6 -1.412 5.202 -2.895 43 HB3 CYS 6 HB1 CYS 6 0.305 5.301 -2.547 44 H CYS 7 HN CYS 7 -3.083 7.681 -2.585 45 HA CYS 7 HA CYS 7 -1.754 8.986 -4.889 46 HB2 CYS 7 HB2 CYS 7 -3.946 7.628 -5.012 47 HB3 CYS 7 HB1 CYS 7 -4.712 9.029 -4.294 48 H THR 8 HN THR 8 -4.083 9.970 -2.361 49 HA THR 8 HA THR 8 -3.792 12.776 -2.860 50 HB THR 8 HB THR 8 -4.464 11.533 -0.183 51 HG1 THR 8 HG1 THR 8 -6.540 11.251 -0.953 52 HG21 THR 8 HG21 THR 8 -5.966 13.484 -0.064 53 HG22 THR 8 HG22 THR 8 -5.395 14.003 -1.650 54 HG23 THR 8 HG23 THR 8 -4.282 13.958 -0.283 55 H SER 9 HN SER 9 -1.868 10.422 -1.302 56 HA SER 9 HA SER 9 0.148 12.445 -0.576 57 HB2 SER 9 HB2 SER 9 -0.727 10.504 1.551 58 HB3 SER 9 HB1 SER 9 0.104 12.045 1.732 59 HG SER 9 HG SER 9 -2.556 11.488 1.619 60 H ILE 10 HN ILE 10 2.144 11.152 0.366 61 HA ILE 10 HA ILE 10 2.525 8.811 -1.417 62 HB ILE 10 HB ILE 10 4.496 10.284 0.355 63 HG12 ILE 10 HG12 ILE 10 3.938 10.488 -2.613 64 HG13 ILE 10 HG11 ILE 10 3.476 11.659 -1.401 65 HG21 ILE 10 HG21 ILE 10 5.091 7.894 -0.321 66 HG22 ILE 10 HG22 ILE 10 6.213 9.133 -0.874 67 HG23 ILE 10 HG23 ILE 10 5.039 8.447 -1.995 68 HD11 ILE 10 HD11 ILE 10 5.489 12.632 -1.484 69 HD12 ILE 10 HD12 ILE 10 5.929 11.529 -2.786 70 HD13 ILE 10 HD13 ILE 10 6.290 11.107 -1.117 71 H CYS 11 HN CYS 11 2.613 6.749 -0.690 72 HA CYS 11 HA CYS 11 2.058 6.260 2.182 73 HB2 CYS 11 HB2 CYS 11 1.949 4.564 -0.314 74 HB3 CYS 11 HB1 CYS 11 1.863 3.829 1.286 75 H SER 12 HN SER 12 3.167 4.221 3.071 76 HA SER 12 HA SER 12 6.091 4.238 2.383 77 HB2 SER 12 HB2 SER 12 4.698 3.963 5.055 78 HB3 SER 12 HB1 SER 12 6.383 3.525 4.810 79 HG SER 12 HG SER 12 5.142 6.056 4.507 80 H LEU 13 HN LEU 13 7.071 2.193 2.274 81 HA LEU 13 HA LEU 13 5.707 0.040 1.247 82 HB2 LEU 13 HB2 LEU 13 8.303 0.534 1.906 83 HB3 LEU 13 HB1 LEU 13 7.924 -0.654 3.141 84 HG LEU 13 HG LEU 13 7.102 -2.192 1.345 85 HD11 LEU 13 HD11 LEU 13 7.750 0.189 -0.334 86 HD12 LEU 13 HD12 LEU 13 6.541 -1.070 -0.579 87 HD13 LEU 13 HD13 LEU 13 8.221 -1.376 -0.996 88 HD21 LEU 13 HD21 LEU 13 9.948 -1.167 1.127 89 HD22 LEU 13 HD22 LEU 13 9.393 -2.709 0.476 90 HD23 LEU 13 HD23 LEU 13 9.364 -2.425 2.216 91 H TYR 14 HN TYR 14 6.045 0.851 4.686 92 HA TYR 14 HA TYR 14 5.022 -1.650 5.661 93 HB2 TYR 14 HB2 TYR 14 5.399 -0.690 7.690 94 HB3 TYR 14 HB1 TYR 14 5.954 0.731 6.816 95 HD1 TYR 14 HD1 TYR 14 4.808 2.756 7.063 96 HD2 TYR 14 HD2 TYR 14 2.850 -0.888 8.111 97 HE1 TYR 14 HE1 TYR 14 2.920 4.061 8.008 98 HE2 TYR 14 HE2 TYR 14 0.953 0.391 9.060 99 HH TYR 14 HH TYR 14 0.545 2.661 9.985 100 H GLN 15 HN GLN 15 3.441 1.286 4.509 101 HA GLN 15 HA GLN 15 0.791 0.394 5.294 102 HB2 GLN 15 HB2 GLN 15 1.507 2.470 3.195 103 HB3 GLN 15 HB1 GLN 15 -0.012 2.315 4.070 104 HG2 GLN 15 HG2 GLN 15 1.070 2.884 6.164 105 HG3 GLN 15 HG1 GLN 15 2.649 2.892 5.381 106 HE21 GLN 15 HE21 GLN 15 0.590 4.097 3.099 107 HE22 GLN 15 HE22 GLN 15 0.732 5.754 3.427 108 H LEU 16 HN LEU 16 2.800 0.307 2.392 109 HA LEU 16 HA LEU 16 0.782 -0.740 0.640 110 HB2 LEU 16 HB2 LEU 16 3.214 0.340 0.250 111 HB3 LEU 16 HB1 LEU 16 3.695 -1.344 0.226 112 HG LEU 16 HG LEU 16 2.076 -1.788 -1.571 113 HD11 LEU 16 HD11 LEU 16 1.327 0.623 -2.637 114 HD12 LEU 16 HD12 LEU 16 1.203 0.963 -0.912 115 HD13 LEU 16 HD13 LEU 16 0.305 -0.376 -1.618 116 HD21 LEU 16 HD21 LEU 16 3.656 -1.221 -3.066 117 HD22 LEU 16 HD22 LEU 16 4.498 -0.376 -1.769 118 HD23 LEU 16 HD23 LEU 16 3.398 0.498 -2.823 119 H GLU 17 HN GLU 17 3.488 -2.282 2.385 120 HA GLU 17 HA GLU 17 2.867 -4.957 1.611 121 HB2 GLU 17 HB2 GLU 17 4.089 -3.994 4.224 122 HB3 GLU 17 HB1 GLU 17 4.195 -5.633 3.581 123 HG2 GLU 17 HG2 GLU 17 5.654 -5.014 1.864 124 HG3 GLU 17 HG1 GLU 17 5.142 -3.327 1.893 125 H ASN 18 HN ASN 18 1.502 -2.785 3.912 126 HA ASN 18 HA ASN 18 0.157 -4.644 5.618 127 HB2 ASN 18 HB2 ASN 18 0.223 -1.773 5.139 128 HB3 ASN 18 HB1 ASN 18 -1.393 -2.276 5.531 129 HD21 ASN 18 HD21 ASN 18 0.864 -0.799 7.070 130 HD22 ASN 18 HD22 ASN 18 0.850 -1.614 8.552 131 H TYR 19 HN TYR 19 -0.750 -3.256 2.462 132 HA TYR 19 HA TYR 19 -3.448 -4.451 2.616 133 HB2 TYR 19 HB2 TYR 19 -1.984 -3.055 0.369 134 HB3 TYR 19 HB1 TYR 19 -3.645 -3.635 0.260 135 HD1 TYR 19 HD1 TYR 19 -5.370 -2.744 1.920 136 HD2 TYR 19 HD2 TYR 19 -1.483 -1.008 1.419 137 HE1 TYR 19 HE1 TYR 19 -6.157 -0.670 3.038 138 HE2 TYR 19 HE2 TYR 19 -2.257 1.066 2.545 139 HH TYR 19 HH TYR 19 -4.782 1.296 4.428 140 H CYS 20 HN CYS 20 -0.477 -5.711 2.221 141 HA CYS 20 HA CYS 20 -1.311 -7.727 0.178 142 HB2 CYS 20 HB2 CYS 20 0.789 -6.737 -0.385 143 HB3 CYS 20 HB1 CYS 20 1.390 -6.920 1.264 144 H ASN 21 HN ASN 21 -1.277 -9.923 0.728 145 HA ASN 21 HA ASN 21 -1.891 -10.618 3.417 146 HB2 ASN 21 HB2 ASN 21 -1.145 -12.182 0.946 147 HB3 ASN 21 HB1 ASN 21 -1.396 -12.996 2.483 148 HD21 ASN 21 HD21 ASN 21 -3.225 -13.808 0.727 149 HD22 ASN 21 HD22 ASN 21 -4.719 -13.023 0.914 150 H1 PHE 22 HT1 PHE 22 13.200 2.335 -0.722 151 H2 PHE 22 HT2 PHE 22 12.374 0.871 -0.474 152 H3 PHE 22 HT3 PHE 22 11.906 2.268 0.372 153 HA PHE 22 HA PHE 22 11.670 1.794 -2.547 154 HB2 PHE 22 HB2 PHE 22 10.017 0.877 -0.615 155 HB3 PHE 22 HB1 PHE 22 9.356 2.501 -0.766 156 HD1 PHE 22 HD1 PHE 22 8.174 3.198 -2.783 157 HD2 PHE 22 HD2 PHE 22 10.026 -0.673 -2.534 158 HE1 PHE 22 HE1 PHE 22 6.970 2.487 -4.829 159 HE2 PHE 22 HE2 PHE 22 8.821 -1.380 -4.579 160 HZ PHE 22 HZ PHE 22 7.292 0.199 -5.728 161 H VAL 23 HN VAL 23 10.881 3.634 -3.739 162 HA VAL 23 HA VAL 23 11.849 6.177 -2.705 163 HB VAL 23 HB VAL 23 11.943 5.523 -5.137 164 HG11 VAL 23 HG11 VAL 23 9.565 4.553 -5.061 165 HG12 VAL 23 HG12 VAL 23 9.959 5.538 -6.470 166 HG13 VAL 23 HG13 VAL 23 8.995 6.219 -5.159 167 HG21 VAL 23 HG21 VAL 23 12.028 7.910 -4.269 168 HG22 VAL 23 HG22 VAL 23 10.306 8.027 -4.635 169 HG23 VAL 23 HG23 VAL 23 11.467 7.751 -5.934 170 H ASN 24 HN ASN 24 10.511 8.092 -2.457 171 HA ASN 24 HA ASN 24 7.766 7.440 -1.463 172 HB2 ASN 24 HB2 ASN 24 8.378 10.107 -0.763 173 HB3 ASN 24 HB1 ASN 24 8.431 8.712 0.306 174 HD21 ASN 24 HD21 ASN 24 10.465 8.148 1.136 175 HD22 ASN 24 HD22 ASN 24 11.938 8.778 0.575 176 H GLN 25 HN GLN 25 6.662 7.479 -3.434 177 HA GLN 25 HA GLN 25 6.400 10.180 -4.700 178 HB2 GLN 25 HB2 GLN 25 7.824 8.655 -6.102 179 HB3 GLN 25 HB1 GLN 25 6.463 7.539 -6.201 180 HG2 GLN 25 HG2 GLN 25 5.130 9.603 -7.095 181 HG3 GLN 25 HG1 GLN 25 6.720 10.301 -7.367 182 HE21 GLN 25 HE21 GLN 25 8.015 7.742 -7.958 183 HE22 GLN 25 HE22 GLN 25 7.463 7.280 -9.485 184 H HIS 26 HN HIS 26 4.294 10.734 -5.235 185 HA HIS 26 HA HIS 26 2.165 9.277 -3.965 186 HB2 HIS 26 HB2 HIS 26 1.793 11.347 -6.130 187 HB3 HIS 26 HB1 HIS 26 0.776 11.024 -4.732 188 HD1 HIS 26 HD1 HIS 26 4.425 12.042 -5.306 189 HD2 HIS 26 HD2 HIS 26 1.281 12.735 -2.714 190 HE1 HIS 26 HE1 HIS 26 5.262 13.688 -3.567 191 HE2 HIS 26 HE2 HIS 26 3.306 14.219 -2.062 192 H LEU 27 HN LEU 27 1.570 7.318 -4.759 193 HA LEU 27 HA LEU 27 1.644 6.811 -7.676 194 HB2 LEU 27 HB2 LEU 27 0.733 4.899 -5.530 195 HB3 LEU 27 HB1 LEU 27 1.326 4.524 -7.134 196 HG LEU 27 HG LEU 27 3.089 5.925 -5.117 197 HD11 LEU 27 HD11 LEU 27 2.839 2.944 -5.573 198 HD12 LEU 27 HD12 LEU 27 2.274 3.798 -4.137 199 HD13 LEU 27 HD13 LEU 27 3.997 3.744 -4.510 200 HD21 LEU 27 HD21 LEU 27 4.854 4.893 -6.528 201 HD22 LEU 27 HD22 LEU 27 3.812 5.972 -7.453 202 HD23 LEU 27 HD23 LEU 27 3.601 4.225 -7.573 203 H CYS 28 HN CYS 28 -0.186 6.180 -8.844 204 HA CYS 28 HA CYS 28 -2.840 6.163 -7.620 205 HB2 CYS 28 HB2 CYS 28 -2.160 8.256 -9.710 206 HB3 CYS 28 HB1 CYS 28 -3.731 7.987 -8.969 207 H GLY 29 HN GLY 29 -4.485 5.939 -9.631 208 HA2 GLY 29 HA2 GLY 29 -5.103 4.492 -11.387 209 HA3 GLY 29 HA1 GLY 29 -3.608 5.034 -12.146 210 H SER 30 HN SER 30 -3.005 3.006 -12.952 211 HA SER 30 HA SER 30 -2.967 0.639 -11.275 212 HB2 SER 30 HB2 SER 30 -1.353 0.967 -13.800 213 HB3 SER 30 HB1 SER 30 -2.087 -0.494 -13.141 214 HG SER 30 HG SER 30 -3.200 0.605 -14.951 215 H ASP 31 HN ASP 31 -0.760 3.276 -11.792 216 HA ASP 31 HA ASP 31 1.755 2.147 -11.289 217 HB2 ASP 31 HB2 ASP 31 0.734 4.674 -9.947 218 HB3 ASP 31 HB1 ASP 31 2.410 4.269 -10.306 219 H LEU 32 HN LEU 32 -0.598 3.245 -8.871 220 HA LEU 32 HA LEU 32 0.739 2.346 -6.540 221 HB2 LEU 32 HB2 LEU 32 -1.198 3.785 -6.397 222 HB3 LEU 32 HB1 LEU 32 -2.199 2.607 -7.239 223 HG LEU 32 HG LEU 32 -2.062 1.069 -5.371 224 HD11 LEU 32 HD11 LEU 32 -0.885 1.992 -3.249 225 HD12 LEU 32 HD12 LEU 32 -0.042 3.068 -4.352 226 HD13 LEU 32 HD13 LEU 32 0.130 1.323 -4.522 227 HD21 LEU 32 HD21 LEU 32 -2.569 3.864 -4.338 228 HD22 LEU 32 HD22 LEU 32 -3.269 2.371 -3.734 229 HD23 LEU 32 HD23 LEU 32 -3.703 2.964 -5.334 230 H VAL 33 HN VAL 33 -1.860 0.679 -8.376 231 HA VAL 33 HA VAL 33 -1.891 -1.760 -7.023 232 HB VAL 33 HB VAL 33 -2.151 -1.151 -9.975 233 HG11 VAL 33 HG11 VAL 33 -1.449 -3.403 -10.059 234 HG12 VAL 33 HG12 VAL 33 -3.205 -3.544 -9.994 235 HG13 VAL 33 HG13 VAL 33 -2.245 -3.809 -8.538 236 HG21 VAL 33 HG21 VAL 33 -4.504 -1.481 -9.556 237 HG22 VAL 33 HG22 VAL 33 -3.883 -0.369 -8.336 238 HG23 VAL 33 HG23 VAL 33 -4.178 -2.058 -7.922 239 H GLU 34 HN GLU 34 0.000 -1.098 -9.945 240 HA GLU 34 HA GLU 34 1.501 -3.345 -10.162 241 HB2 GLU 34 HB2 GLU 34 2.105 -0.456 -10.612 242 HB3 GLU 34 HB1 GLU 34 3.411 -1.614 -10.809 243 HG2 GLU 34 HG2 GLU 34 2.029 -2.885 -12.423 244 HG3 GLU 34 HG1 GLU 34 0.739 -1.696 -12.237 245 H ALA 35 HN ALA 35 2.123 -0.652 -7.933 246 HA ALA 35 HA ALA 35 4.534 -1.598 -6.807 247 HB1 ALA 35 HB1 ALA 35 2.383 -0.326 -5.118 248 HB2 ALA 35 HB2 ALA 35 3.193 0.607 -6.376 249 HB3 ALA 35 HB3 ALA 35 4.130 -0.083 -5.053 250 H LEU 36 HN LEU 36 1.229 -2.115 -5.447 251 HA LEU 36 HA LEU 36 2.008 -4.071 -3.582 252 HB2 LEU 36 HB2 LEU 36 -0.545 -3.888 -5.198 253 HB3 LEU 36 HB1 LEU 36 -0.330 -4.986 -3.838 254 HG LEU 36 HG LEU 36 0.204 -2.034 -3.480 255 HD11 LEU 36 HD11 LEU 36 -2.080 -1.632 -2.899 256 HD12 LEU 36 HD12 LEU 36 -2.484 -3.337 -3.022 257 HD13 LEU 36 HD13 LEU 36 -2.118 -2.413 -4.476 258 HD21 LEU 36 HD21 LEU 36 0.829 -3.740 -1.721 259 HD22 LEU 36 HD22 LEU 36 -0.874 -4.149 -1.598 260 HD23 LEU 36 HD23 LEU 36 -0.324 -2.536 -1.168 261 H TYR 37 HN TYR 37 1.009 -4.472 -6.971 262 HA TYR 37 HA TYR 37 1.297 -7.276 -7.150 263 HB2 TYR 37 HB2 TYR 37 0.480 -5.590 -8.940 264 HB3 TYR 37 HB1 TYR 37 2.174 -5.365 -9.325 265 HD1 TYR 37 HD1 TYR 37 -0.667 -7.667 -9.474 266 HD2 TYR 37 HD2 TYR 37 3.541 -7.225 -10.213 267 HE1 TYR 37 HE1 TYR 37 -0.691 -9.732 -10.847 268 HE2 TYR 37 HE2 TYR 37 3.517 -9.290 -11.586 269 HH TYR 37 HH TYR 37 1.880 -10.615 -12.881 270 H LEU 38 HN LEU 38 3.613 -4.718 -6.871 271 HA LEU 38 HA LEU 38 5.936 -6.380 -7.548 272 HB2 LEU 38 HB2 LEU 38 5.476 -3.744 -7.774 273 HB3 LEU 38 HB1 LEU 38 6.120 -3.730 -6.149 274 HG LEU 38 HG LEU 38 8.088 -5.113 -7.140 275 HD11 LEU 38 HD11 LEU 38 8.490 -4.506 -9.549 276 HD12 LEU 38 HD12 LEU 38 6.839 -3.898 -9.627 277 HD13 LEU 38 HD13 LEU 38 7.136 -5.609 -9.328 278 HD21 LEU 38 HD21 LEU 38 8.289 -2.814 -6.341 279 HD22 LEU 38 HD22 LEU 38 7.592 -2.204 -7.840 280 HD23 LEU 38 HD23 LEU 38 9.177 -2.979 -7.855 281 H VAL 39 HN VAL 39 4.988 -4.507 -4.672 282 HA VAL 39 HA VAL 39 6.687 -5.700 -2.782 283 HB VAL 39 HB VAL 39 3.855 -4.689 -2.334 284 HG11 VAL 39 HG11 VAL 39 5.026 -5.912 -0.427 285 HG12 VAL 39 HG12 VAL 39 4.489 -4.270 -0.098 286 HG13 VAL 39 HG13 VAL 39 6.191 -4.588 -0.429 287 HG21 VAL 39 HG21 VAL 39 6.496 -3.248 -2.522 288 HG22 VAL 39 HG22 VAL 39 5.059 -2.548 -1.792 289 HG23 VAL 39 HG23 VAL 39 5.053 -2.988 -3.499 290 H CYS 40 HN CYS 40 3.260 -6.460 -3.360 291 HA CYS 40 HA CYS 40 3.295 -8.802 -1.704 292 HB2 CYS 40 HB2 CYS 40 1.334 -7.243 -2.608 293 HB3 CYS 40 HB1 CYS 40 1.266 -8.454 -3.881 294 H GLY 41 HN GLY 41 3.918 -8.292 -5.132 295 HA2 GLY 41 HA2 GLY 41 4.523 -9.838 -6.805 296 HA3 GLY 41 HA1 GLY 41 5.341 -10.680 -5.489 297 H GLU 42 HN GLU 42 4.726 -12.787 -5.471 298 HA GLU 42 HA GLU 42 2.114 -13.595 -6.527 299 HB2 GLU 42 HB2 GLU 42 4.429 -15.137 -5.364 300 HB3 GLU 42 HB1 GLU 42 2.943 -15.905 -5.919 301 HG2 GLU 42 HG2 GLU 42 4.571 -14.055 -7.674 302 HG3 GLU 42 HG1 GLU 42 4.839 -15.798 -7.627 303 H ARG 43 HN ARG 43 3.227 -12.603 -3.489 304 HA ARG 43 HA ARG 43 1.909 -14.356 -1.712 305 HB2 ARG 43 HB2 ARG 43 2.301 -11.370 -1.491 306 HB3 ARG 43 HB1 ARG 43 1.763 -12.390 -0.166 307 HG2 ARG 43 HG2 ARG 43 3.847 -13.687 -0.315 308 HG3 ARG 43 HG1 ARG 43 4.381 -12.681 -1.663 309 HD2 ARG 43 HD2 ARG 43 4.015 -10.678 -0.043 310 HD3 ARG 43 HD1 ARG 43 4.013 -11.904 1.229 311 HE ARG 43 HE ARG 43 6.303 -12.407 -0.311 312 HH11 ARG 43 HH11 ARG 43 8.309 -11.562 0.305 313 HH12 ARG 43 HH12 ARG 43 8.368 -10.160 1.320 314 HH21 ARG 43 HH21 ARG 43 4.922 -9.849 1.540 315 HH22 ARG 43 HH22 ARG 43 6.451 -9.191 2.021 316 H GLY 44 HN GLY 44 0.636 -11.568 -3.467 317 HA2 GLY 44 HA2 GLY 44 -1.641 -11.539 -4.335 318 HA3 GLY 44 HA1 GLY 44 -2.124 -12.633 -3.041 319 H TYR 45 HN TYR 45 -2.627 -9.614 -4.027 320 HA TYR 45 HA TYR 45 -2.948 -8.537 -1.253 321 HB2 TYR 45 HB2 TYR 45 -2.396 -6.302 -2.126 322 HB3 TYR 45 HB1 TYR 45 -1.056 -7.385 -2.417 323 HD1 TYR 45 HD1 TYR 45 -3.459 -5.187 -3.947 324 HD2 TYR 45 HD2 TYR 45 -0.908 -8.545 -4.668 325 HE1 TYR 45 HE1 TYR 45 -3.569 -4.738 -6.374 326 HE2 TYR 45 HE2 TYR 45 -1.017 -8.114 -7.109 327 HH TYR 45 HH TYR 45 -1.485 -6.271 -8.623 328 H PHE 46 HN PHE 46 -4.707 -6.810 -1.239 329 HA PHE 46 HA PHE 46 -6.744 -7.371 -3.361 330 HB2 PHE 46 HB2 PHE 46 -8.225 -6.568 -1.140 331 HB3 PHE 46 HB1 PHE 46 -8.059 -8.218 -1.725 332 HD1 PHE 46 HD1 PHE 46 -7.593 -9.701 0.001 333 HD2 PHE 46 HD2 PHE 46 -5.828 -5.827 0.038 334 HE1 PHE 46 HE1 PHE 46 -6.416 -10.288 2.104 335 HE2 PHE 46 HE2 PHE 46 -4.645 -6.381 2.164 336 HZ PHE 46 HZ PHE 46 -4.934 -8.618 3.187 337 H TYR 47 HN TYR 47 -6.985 -5.687 -4.609 338 HA TYR 47 HA TYR 47 -6.862 -2.934 -3.414 339 HB2 TYR 47 HB2 TYR 47 -4.995 -3.414 -4.973 340 HB3 TYR 47 HB1 TYR 47 -6.163 -3.828 -6.230 341 HD1 TYR 47 HD1 TYR 47 -4.937 -1.084 -4.049 342 HD2 TYR 47 HD2 TYR 47 -7.310 -2.136 -7.471 343 HE1 TYR 47 HE1 TYR 47 -5.145 1.305 -4.640 344 HE2 TYR 47 HE2 TYR 47 -7.514 0.263 -8.067 345 HH TYR 47 HH TYR 47 -7.168 2.366 -7.358 346 H THR 48 HN THR 48 -8.956 -2.191 -3.299 347 HA THR 48 HA THR 48 -10.608 -2.205 -5.716 348 HB THR 48 HB THR 48 -11.380 -4.310 -5.039 349 HG1 THR 48 HG1 THR 48 -13.159 -2.969 -5.137 350 HG21 THR 48 HG21 THR 48 -10.200 -4.718 -3.051 351 HG22 THR 48 HG22 THR 48 -11.883 -4.712 -2.525 352 HG23 THR 48 HG23 THR 48 -10.869 -3.296 -2.249 353 H LYS 49 HN LYS 49 -13.024 -1.466 -4.560 354 HA LYS 49 HA LYS 49 -14.091 0.445 -3.738 355 HB2 LYS 49 HB2 LYS 49 -11.895 0.489 -1.663 356 HB3 LYS 49 HB1 LYS 49 -13.565 1.023 -1.501 357 HG2 LYS 49 HG2 LYS 49 -14.342 -1.306 -1.786 358 HG3 LYS 49 HG1 LYS 49 -12.666 -1.840 -1.912 359 HD2 LYS 49 HD2 LYS 49 -12.251 -0.853 0.363 360 HD3 LYS 49 HD1 LYS 49 -13.983 -0.540 0.486 361 HE2 LYS 49 HE2 LYS 49 -13.570 -2.645 1.580 362 HE3 LYS 49 HE1 LYS 49 -14.361 -3.005 0.045 363 HZ1 LYS 49 HZ1 LYS 49 -11.483 -3.235 0.706 364 HZ2 LYS 49 HZ2 LYS 49 -12.063 -3.275 -0.891 365 HZ3 LYS 49 HZ3 LYS 49 -12.542 -4.467 0.220 366 HA PRO 50 HA PRO 50 -10.480 2.636 -6.148 367 HB2 PRO 50 HB2 PRO 50 -13.000 3.802 -7.225 368 HB3 PRO 50 HB1 PRO 50 -11.589 3.170 -8.094 369 HG2 PRO 50 HG2 PRO 50 -14.069 1.832 -7.525 370 HG3 PRO 50 HG1 PRO 50 -12.667 1.205 -8.408 371 HD2 PRO 50 HD2 PRO 50 -13.513 0.226 -5.966 372 HD3 PRO 50 HD1 PRO 50 -11.842 0.097 -6.561 373 H THR 51 HN THR 51 -13.480 3.776 -4.607 374 HA THR 51 HA THR 51 -13.993 5.848 -3.621 375 HB THR 51 HB THR 51 -12.772 4.622 -1.844 376 HG1 THR 51 HG1 THR 51 -13.564 6.815 -1.612 377 HG21 THR 51 HG21 THR 51 -10.573 4.329 -2.793 378 HG22 THR 51 HG22 THR 51 -10.401 5.352 -1.377 379 HG23 THR 51 HG23 THR 51 -10.356 6.067 -2.981 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 -8.559 4.436 3.242 2 H2 GLY 1 HT2 GLY 1 -10.085 4.035 2.615 3 H3 GLY 1 HT3 GLY 1 -9.249 5.388 2.018 4 HA2 GLY 1 HA2 GLY 1 -8.906 2.459 1.459 5 HA3 GLY 1 HA1 GLY 1 -8.621 3.895 0.435 6 H ILE 2 HN ILE 2 -6.948 2.043 -0.014 7 HA ILE 2 HA ILE 2 -4.462 3.313 0.775 8 HB ILE 2 HB ILE 2 -4.613 0.905 0.176 9 HG12 ILE 2 HG12 ILE 2 -2.849 2.385 -1.784 10 HG13 ILE 2 HG11 ILE 2 -2.492 2.305 -0.064 11 HG21 ILE 2 HG21 ILE 2 -6.273 1.198 -1.666 12 HG22 ILE 2 HG22 ILE 2 -4.879 0.236 -2.154 13 HG23 ILE 2 HG23 ILE 2 -5.006 1.918 -2.653 14 HD11 ILE 2 HD11 ILE 2 -1.969 0.334 -2.117 15 HD12 ILE 2 HD12 ILE 2 -2.990 -0.378 -0.871 16 HD13 ILE 2 HD13 ILE 2 -1.445 0.349 -0.439 17 H VAL 3 HN VAL 3 -6.576 3.477 -2.036 18 HA VAL 3 HA VAL 3 -4.918 4.881 -3.829 19 HB VAL 3 HB VAL 3 -7.865 5.425 -3.425 20 HG11 VAL 3 HG11 VAL 3 -6.659 6.783 -5.084 21 HG12 VAL 3 HG12 VAL 3 -7.804 5.691 -5.864 22 HG13 VAL 3 HG13 VAL 3 -6.081 5.312 -5.866 23 HG21 VAL 3 HG21 VAL 3 -7.705 3.045 -3.378 24 HG22 VAL 3 HG22 VAL 3 -6.467 3.033 -4.634 25 HG23 VAL 3 HG23 VAL 3 -8.129 3.461 -5.038 26 H GLU 4 HN GLU 4 -6.887 6.058 -1.147 27 HA GLU 4 HA GLU 4 -6.352 8.854 -1.749 28 HB2 GLU 4 HB2 GLU 4 -7.261 7.804 0.931 29 HB3 GLU 4 HB1 GLU 4 -7.640 9.349 0.167 30 HG2 GLU 4 HG2 GLU 4 -8.780 7.969 -1.682 31 HG3 GLU 4 HG1 GLU 4 -8.667 6.604 -0.570 32 H GLN 5 HN GLN 5 -4.660 6.383 0.003 33 HA GLN 5 HA GLN 5 -3.065 8.360 1.531 34 HB2 GLN 5 HB2 GLN 5 -3.825 6.099 2.449 35 HB3 GLN 5 HB1 GLN 5 -2.631 5.375 1.389 36 HG2 GLN 5 HG2 GLN 5 -1.467 5.650 3.425 37 HG3 GLN 5 HG1 GLN 5 -0.953 7.021 2.454 38 HE21 GLN 5 HE21 GLN 5 -4.035 6.578 4.153 39 HE22 GLN 5 HE22 GLN 5 -3.869 7.930 5.150 40 H CYS 6 HN CYS 6 -2.697 6.207 -1.267 41 HA CYS 6 HA CYS 6 0.160 6.938 -1.504 42 HB2 CYS 6 HB2 CYS 6 -1.433 5.144 -3.323 43 HB3 CYS 6 HB1 CYS 6 0.298 5.154 -3.037 44 H CYS 7 HN CYS 7 -2.929 7.556 -3.124 45 HA CYS 7 HA CYS 7 -1.518 8.919 -5.349 46 HB2 CYS 7 HB2 CYS 7 -3.610 7.445 -5.635 47 HB3 CYS 7 HB1 CYS 7 -4.507 8.786 -4.947 48 H THR 8 HN THR 8 -4.225 9.849 -3.188 49 HA THR 8 HA THR 8 -3.892 12.634 -3.634 50 HB THR 8 HB THR 8 -4.894 11.485 -1.025 51 HG1 THR 8 HG1 THR 8 -6.721 11.722 -3.046 52 HG21 THR 8 HG21 THR 8 -6.519 13.316 -1.267 53 HG22 THR 8 HG22 THR 8 -5.779 13.758 -2.806 54 HG23 THR 8 HG23 THR 8 -4.860 13.912 -1.308 55 H SER 9 HN SER 9 -1.857 10.436 -2.224 56 HA SER 9 HA SER 9 -0.138 12.527 -1.133 57 HB2 SER 9 HB2 SER 9 -1.661 12.085 0.758 58 HB3 SER 9 HB1 SER 9 -1.260 10.384 0.693 59 HG SER 9 HG SER 9 0.618 12.485 1.053 60 H ILE 10 HN ILE 10 1.231 10.534 0.548 61 HA ILE 10 HA ILE 10 2.346 8.711 -1.552 62 HB ILE 10 HB ILE 10 3.744 10.366 0.558 63 HG12 ILE 10 HG12 ILE 10 4.034 10.427 -2.445 64 HG13 ILE 10 HG11 ILE 10 2.931 11.469 -1.567 65 HG21 ILE 10 HG21 ILE 10 5.831 9.445 -0.524 66 HG22 ILE 10 HG22 ILE 10 4.816 8.329 -1.433 67 HG23 ILE 10 HG23 ILE 10 4.895 8.218 0.325 68 HD11 ILE 10 HD11 ILE 10 4.697 12.533 -0.387 69 HD12 ILE 10 HD12 ILE 10 5.235 12.450 -2.065 70 HD13 ILE 10 HD13 ILE 10 5.861 11.303 -0.881 71 H CYS 11 HN CYS 11 2.766 6.619 -0.827 72 HA CYS 11 HA CYS 11 1.945 5.993 1.991 73 HB2 CYS 11 HB2 CYS 11 1.928 4.345 -0.545 74 HB3 CYS 11 HB1 CYS 11 1.660 3.652 1.053 75 H SER 12 HN SER 12 3.081 4.133 2.978 76 HA SER 12 HA SER 12 5.984 4.046 2.216 77 HB2 SER 12 HB2 SER 12 4.646 3.797 4.922 78 HB3 SER 12 HB1 SER 12 6.349 3.461 4.635 79 HG SER 12 HG SER 12 6.088 5.731 3.557 80 H LEU 13 HN LEU 13 6.956 1.998 2.167 81 HA LEU 13 HA LEU 13 5.592 -0.177 1.206 82 HB2 LEU 13 HB2 LEU 13 8.184 0.325 1.842 83 HB3 LEU 13 HB1 LEU 13 7.807 -0.813 3.125 84 HG LEU 13 HG LEU 13 6.988 -2.425 1.402 85 HD11 LEU 13 HD11 LEU 13 8.090 -1.664 -0.985 86 HD12 LEU 13 HD12 LEU 13 7.549 -0.102 -0.373 87 HD13 LEU 13 HD13 LEU 13 6.399 -1.420 -0.566 88 HD21 LEU 13 HD21 LEU 13 9.233 -2.694 2.210 89 HD22 LEU 13 HD22 LEU 13 9.819 -1.367 1.207 90 HD23 LEU 13 HD23 LEU 13 9.308 -2.880 0.457 91 H TYR 14 HN TYR 14 5.914 0.722 4.620 92 HA TYR 14 HA TYR 14 4.877 -1.762 5.639 93 HB2 TYR 14 HB2 TYR 14 5.272 -0.773 7.652 94 HB3 TYR 14 HB1 TYR 14 5.837 0.629 6.753 95 HD1 TYR 14 HD1 TYR 14 4.714 2.671 6.976 96 HD2 TYR 14 HD2 TYR 14 2.721 -0.940 8.079 97 HE1 TYR 14 HE1 TYR 14 2.840 4.006 7.910 98 HE2 TYR 14 HE2 TYR 14 0.841 0.371 9.017 99 HH TYR 14 HH TYR 14 0.900 3.264 9.941 100 H GLN 15 HN GLN 15 3.343 1.150 4.394 101 HA GLN 15 HA GLN 15 0.674 0.296 5.198 102 HB2 GLN 15 HB2 GLN 15 1.409 2.365 3.100 103 HB3 GLN 15 HB1 GLN 15 -0.105 2.226 3.986 104 HG2 GLN 15 HG2 GLN 15 1.004 2.780 6.073 105 HG3 GLN 15 HG1 GLN 15 2.573 2.785 5.270 106 HE21 GLN 15 HE21 GLN 15 0.436 3.994 3.043 107 HE22 GLN 15 HE22 GLN 15 0.608 5.650 3.358 108 H LEU 16 HN LEU 16 2.781 0.022 2.406 109 HA LEU 16 HA LEU 16 0.743 -0.943 0.604 110 HB2 LEU 16 HB2 LEU 16 3.193 0.102 0.231 111 HB3 LEU 16 HB1 LEU 16 3.649 -1.589 0.221 112 HG LEU 16 HG LEU 16 2.057 -2.022 -1.595 113 HD11 LEU 16 HD11 LEU 16 1.195 0.743 -0.959 114 HD12 LEU 16 HD12 LEU 16 0.285 -0.603 -1.640 115 HD13 LEU 16 HD13 LEU 16 1.308 0.373 -2.680 116 HD21 LEU 16 HD21 LEU 16 3.391 0.258 -2.843 117 HD22 LEU 16 HD22 LEU 16 3.653 -1.461 -3.077 118 HD23 LEU 16 HD23 LEU 16 4.483 -0.615 -1.773 119 H GLU 17 HN GLU 17 3.383 -2.493 2.426 120 HA GLU 17 HA GLU 17 2.734 -5.177 1.678 121 HB2 GLU 17 HB2 GLU 17 3.945 -4.183 4.286 122 HB3 GLU 17 HB1 GLU 17 4.034 -5.835 3.672 123 HG2 GLU 17 HG2 GLU 17 5.518 -5.264 1.958 124 HG3 GLU 17 HG1 GLU 17 5.032 -3.569 1.959 125 H ASN 18 HN ASN 18 1.353 -2.917 3.856 126 HA ASN 18 HA ASN 18 -0.027 -4.683 5.631 127 HB2 ASN 18 HB2 ASN 18 0.017 -1.833 4.960 128 HB3 ASN 18 HB1 ASN 18 -1.565 -2.346 5.465 129 HD21 ASN 18 HD21 ASN 18 0.667 -0.701 6.816 130 HD22 ASN 18 HD22 ASN 18 0.771 -1.434 8.334 131 H TYR 19 HN TYR 19 -0.888 -3.422 2.401 132 HA TYR 19 HA TYR 19 -3.591 -4.606 2.578 133 HB2 TYR 19 HB2 TYR 19 -2.112 -3.345 0.250 134 HB3 TYR 19 HB1 TYR 19 -3.799 -3.856 0.220 135 HD1 TYR 19 HD1 TYR 19 -5.442 -2.791 1.857 136 HD2 TYR 19 HD2 TYR 19 -1.483 -1.287 1.203 137 HE1 TYR 19 HE1 TYR 19 -6.096 -0.627 2.888 138 HE2 TYR 19 HE2 TYR 19 -2.123 0.875 2.241 139 HH TYR 19 HH TYR 19 -5.236 1.298 3.814 140 H CYS 20 HN CYS 20 -0.526 -5.793 2.069 141 HA CYS 20 HA CYS 20 -1.410 -7.904 0.170 142 HB2 CYS 20 HB2 CYS 20 0.675 -6.934 -0.459 143 HB3 CYS 20 HB1 CYS 20 1.305 -7.068 1.185 144 H ASN 21 HN ASN 21 -1.368 -10.088 0.761 145 HA ASN 21 HA ASN 21 -1.729 -10.610 3.601 146 HB2 ASN 21 HB2 ASN 21 -1.887 -13.034 2.662 147 HB3 ASN 21 HB1 ASN 21 -3.143 -11.886 2.215 148 HD21 ASN 21 HD21 ASN 21 -3.308 -13.481 0.283 149 HD22 ASN 21 HD22 ASN 21 -2.294 -13.186 -1.044 150 H1 PHE 22 HT1 PHE 22 12.695 1.739 0.198 151 H2 PHE 22 HT2 PHE 22 11.241 1.373 0.998 152 H3 PHE 22 HT3 PHE 22 11.865 2.953 1.043 153 HA PHE 22 HA PHE 22 11.494 2.008 -1.632 154 HB2 PHE 22 HB2 PHE 22 9.608 0.939 -0.097 155 HB3 PHE 22 HB1 PHE 22 8.926 2.562 -0.151 156 HD1 PHE 22 HD1 PHE 22 7.768 3.337 -2.089 157 HD2 PHE 22 HD2 PHE 22 10.120 -0.255 -2.286 158 HE1 PHE 22 HE1 PHE 22 6.842 2.852 -4.338 159 HE2 PHE 22 HE2 PHE 22 9.195 -0.735 -4.536 160 HZ PHE 22 HZ PHE 22 7.557 0.818 -5.561 161 H VAL 23 HN VAL 23 11.053 3.842 -2.906 162 HA VAL 23 HA VAL 23 11.716 6.388 -1.770 163 HB VAL 23 HB VAL 23 12.026 5.738 -4.186 164 HG11 VAL 23 HG11 VAL 23 9.086 6.404 -4.464 165 HG12 VAL 23 HG12 VAL 23 9.657 4.744 -4.303 166 HG13 VAL 23 HG13 VAL 23 10.166 5.721 -5.680 167 HG21 VAL 23 HG21 VAL 23 10.329 8.224 -3.812 168 HG22 VAL 23 HG22 VAL 23 11.584 7.961 -5.023 169 HG23 VAL 23 HG23 VAL 23 12.020 8.122 -3.322 170 H ASN 24 HN ASN 24 10.318 8.283 -1.664 171 HA ASN 24 HA ASN 24 7.520 7.581 -0.873 172 HB2 ASN 24 HB2 ASN 24 7.982 10.265 -0.172 173 HB3 ASN 24 HB1 ASN 24 8.063 8.890 0.923 174 HD21 ASN 24 HD21 ASN 24 10.249 7.894 1.252 175 HD22 ASN 24 HD22 ASN 24 11.640 8.835 1.001 176 H GLN 25 HN GLN 25 6.561 7.558 -2.935 177 HA GLN 25 HA GLN 25 6.347 10.230 -4.260 178 HB2 GLN 25 HB2 GLN 25 7.961 8.742 -5.489 179 HB3 GLN 25 HB1 GLN 25 6.649 7.590 -5.732 180 HG2 GLN 25 HG2 GLN 25 5.370 9.619 -6.771 181 HG3 GLN 25 HG1 GLN 25 6.962 10.357 -6.873 182 HE21 GLN 25 HE21 GLN 25 8.387 7.847 -7.321 183 HE22 GLN 25 HE22 GLN 25 8.009 7.365 -8.894 184 H HIS 26 HN HIS 26 4.320 10.685 -5.124 185 HA HIS 26 HA HIS 26 2.092 9.211 -4.038 186 HB2 HIS 26 HB2 HIS 26 2.059 11.297 -6.237 187 HB3 HIS 26 HB1 HIS 26 0.707 10.816 -5.222 188 HD1 HIS 26 HD1 HIS 26 0.263 12.459 -3.426 189 HD2 HIS 26 HD2 HIS 26 4.329 12.286 -4.343 190 HE1 HIS 26 HE1 HIS 26 1.414 14.144 -1.923 191 HE2 HIS 26 HE2 HIS 26 3.883 14.058 -2.485 192 H LEU 27 HN LEU 27 1.608 7.206 -4.884 193 HA LEU 27 HA LEU 27 2.002 6.694 -7.769 194 HB2 LEU 27 HB2 LEU 27 0.912 4.807 -5.683 195 HB3 LEU 27 HB1 LEU 27 1.622 4.400 -7.230 196 HG LEU 27 HG LEU 27 3.228 5.854 -5.116 197 HD11 LEU 27 HD11 LEU 27 3.035 2.860 -5.528 198 HD12 LEU 27 HD12 LEU 27 2.347 3.737 -4.160 199 HD13 LEU 27 HD13 LEU 27 4.095 3.694 -4.392 200 HD21 LEU 27 HD21 LEU 27 4.141 5.868 -7.373 201 HD22 LEU 27 HD22 LEU 27 3.914 4.125 -7.509 202 HD23 LEU 27 HD23 LEU 27 5.094 4.775 -6.372 203 H CYS 28 HN CYS 28 0.272 6.036 -9.108 204 HA CYS 28 HA CYS 28 -2.481 6.069 -8.102 205 HB2 CYS 28 HB2 CYS 28 -1.592 8.097 -10.176 206 HB3 CYS 28 HB1 CYS 28 -3.227 7.867 -9.573 207 H GLY 29 HN GLY 29 -3.933 5.949 -10.322 208 HA2 GLY 29 HA2 GLY 29 -4.465 4.453 -12.069 209 HA3 GLY 29 HA1 GLY 29 -2.872 4.883 -12.688 210 H SER 30 HN SER 30 -2.263 2.811 -13.347 211 HA SER 30 HA SER 30 -2.529 0.524 -11.560 212 HB2 SER 30 HB2 SER 30 -0.707 0.595 -13.958 213 HB3 SER 30 HB1 SER 30 -1.611 -0.764 -13.292 214 HG SER 30 HG SER 30 -2.621 0.067 -15.153 215 H ASP 31 HN ASP 31 -0.188 3.038 -11.985 216 HA ASP 31 HA ASP 31 2.248 1.853 -11.284 217 HB2 ASP 31 HB2 ASP 31 1.218 4.413 -10.022 218 HB3 ASP 31 HB1 ASP 31 2.897 3.972 -10.318 219 H LEU 32 HN LEU 32 -0.124 3.174 -8.984 220 HA LEU 32 HA LEU 32 0.967 2.264 -6.575 221 HB2 LEU 32 HB2 LEU 32 -0.987 3.686 -6.616 222 HB3 LEU 32 HB1 LEU 32 -1.911 2.480 -7.504 223 HG LEU 32 HG LEU 32 -1.879 0.981 -5.577 224 HD11 LEU 32 HD11 LEU 32 -0.959 2.007 -3.392 225 HD12 LEU 32 HD12 LEU 32 -0.075 3.119 -4.432 226 HD13 LEU 32 HD13 LEU 32 0.222 1.385 -4.542 227 HD21 LEU 32 HD21 LEU 32 -2.609 3.815 -4.804 228 HD22 LEU 32 HD22 LEU 32 -3.239 2.348 -4.069 229 HD23 LEU 32 HD23 LEU 32 -3.623 2.728 -5.745 230 H VAL 33 HN VAL 33 -1.448 0.523 -8.583 231 HA VAL 33 HA VAL 33 -1.490 -1.897 -7.153 232 HB VAL 33 HB VAL 33 -1.738 -1.320 -10.112 233 HG11 VAL 33 HG11 VAL 33 -1.786 -3.968 -8.655 234 HG12 VAL 33 HG12 VAL 33 -0.981 -3.556 -10.168 235 HG13 VAL 33 HG13 VAL 33 -2.733 -3.735 -10.125 236 HG21 VAL 33 HG21 VAL 33 -3.761 -2.268 -8.073 237 HG22 VAL 33 HG22 VAL 33 -4.084 -1.697 -9.711 238 HG23 VAL 33 HG23 VAL 33 -3.500 -0.573 -8.484 239 H GLU 34 HN GLU 34 0.461 -1.177 -10.029 240 HA GLU 34 HA GLU 34 1.999 -3.407 -10.219 241 HB2 GLU 34 HB2 GLU 34 2.505 -0.514 -10.706 242 HB3 GLU 34 HB1 GLU 34 3.906 -1.572 -10.755 243 HG2 GLU 34 HG2 GLU 34 2.712 -3.012 -12.409 244 HG3 GLU 34 HG1 GLU 34 1.383 -1.853 -12.409 245 H ALA 35 HN ALA 35 2.481 -0.740 -7.929 246 HA ALA 35 HA ALA 35 4.868 -1.704 -6.725 247 HB1 ALA 35 HB1 ALA 35 4.379 -0.233 -4.932 248 HB2 ALA 35 HB2 ALA 35 2.637 -0.405 -5.154 249 HB3 ALA 35 HB3 ALA 35 3.587 0.523 -6.314 250 H LEU 36 HN LEU 36 1.498 -2.164 -5.553 251 HA LEU 36 HA LEU 36 2.063 -4.155 -3.658 252 HB2 LEU 36 HB2 LEU 36 -0.314 -3.839 -5.506 253 HB3 LEU 36 HB1 LEU 36 -0.269 -5.017 -4.196 254 HG LEU 36 HG LEU 36 0.343 -2.119 -3.609 255 HD11 LEU 36 HD11 LEU 36 -2.409 -3.365 -3.788 256 HD12 LEU 36 HD12 LEU 36 -1.782 -2.100 -4.840 257 HD13 LEU 36 HD13 LEU 36 -2.055 -1.772 -3.130 258 HD21 LEU 36 HD21 LEU 36 -0.989 -4.339 -2.031 259 HD22 LEU 36 HD22 LEU 36 -0.573 -2.743 -1.417 260 HD23 LEU 36 HD23 LEU 36 0.698 -3.869 -1.874 261 H TYR 37 HN TYR 37 1.326 -4.536 -7.119 262 HA TYR 37 HA TYR 37 1.613 -7.345 -7.260 263 HB2 TYR 37 HB2 TYR 37 0.897 -5.625 -9.090 264 HB3 TYR 37 HB1 TYR 37 2.613 -5.489 -9.428 265 HD1 TYR 37 HD1 TYR 37 -0.358 -7.508 -9.839 266 HD2 TYR 37 HD2 TYR 37 3.933 -7.578 -10.019 267 HE1 TYR 37 HE1 TYR 37 -0.448 -9.601 -11.165 268 HE2 TYR 37 HE2 TYR 37 3.843 -9.671 -11.346 269 HH TYR 37 HH TYR 37 1.922 -10.734 -12.973 270 H LEU 38 HN LEU 38 3.920 -4.801 -6.824 271 HA LEU 38 HA LEU 38 6.267 -6.465 -7.421 272 HB2 LEU 38 HB2 LEU 38 5.876 -3.833 -7.637 273 HB3 LEU 38 HB1 LEU 38 6.368 -3.840 -5.959 274 HG LEU 38 HG LEU 38 8.402 -5.238 -6.778 275 HD11 LEU 38 HD11 LEU 38 9.039 -4.586 -9.129 276 HD12 LEU 38 HD12 LEU 38 7.401 -3.980 -9.353 277 HD13 LEU 38 HD13 LEU 38 7.675 -5.694 -9.051 278 HD21 LEU 38 HD21 LEU 38 9.589 -3.118 -7.328 279 HD22 LEU 38 HD22 LEU 38 8.534 -2.941 -5.925 280 HD23 LEU 38 HD23 LEU 38 8.028 -2.313 -7.493 281 H VAL 39 HN VAL 39 4.966 -4.777 -4.574 282 HA VAL 39 HA VAL 39 6.634 -5.961 -2.610 283 HB VAL 39 HB VAL 39 3.783 -4.957 -2.302 284 HG11 VAL 39 HG11 VAL 39 4.332 -4.537 -0.030 285 HG12 VAL 39 HG12 VAL 39 6.039 -4.886 -0.299 286 HG13 VAL 39 HG13 VAL 39 4.852 -6.189 -0.352 287 HG21 VAL 39 HG21 VAL 39 6.424 -3.498 -2.316 288 HG22 VAL 39 HG22 VAL 39 4.924 -2.817 -1.704 289 HG23 VAL 39 HG23 VAL 39 5.060 -3.255 -3.405 290 H CYS 40 HN CYS 40 3.219 -6.681 -3.309 291 HA CYS 40 HA CYS 40 3.211 -9.079 -1.731 292 HB2 CYS 40 HB2 CYS 40 1.287 -7.463 -2.651 293 HB3 CYS 40 HB1 CYS 40 1.202 -8.684 -3.914 294 H GLY 41 HN GLY 41 3.888 -8.466 -5.135 295 HA2 GLY 41 HA2 GLY 41 4.480 -9.975 -6.852 296 HA3 GLY 41 HA1 GLY 41 5.330 -10.818 -5.560 297 H GLU 42 HN GLU 42 4.725 -12.908 -5.365 298 HA GLU 42 HA GLU 42 2.222 -13.843 -6.565 299 HB2 GLU 42 HB2 GLU 42 4.233 -15.432 -4.978 300 HB3 GLU 42 HB1 GLU 42 3.037 -16.058 -6.108 301 HG2 GLU 42 HG2 GLU 42 5.320 -14.202 -6.846 302 HG3 GLU 42 HG1 GLU 42 5.298 -15.943 -7.129 303 H ARG 43 HN ARG 43 3.147 -12.751 -3.469 304 HA ARG 43 HA ARG 43 1.627 -14.446 -1.779 305 HB2 ARG 43 HB2 ARG 43 2.284 -11.512 -1.542 306 HB3 ARG 43 HB1 ARG 43 1.454 -12.401 -0.277 307 HG2 ARG 43 HG2 ARG 43 3.359 -13.960 -0.138 308 HG3 ARG 43 HG1 ARG 43 4.189 -13.049 -1.402 309 HD2 ARG 43 HD2 ARG 43 3.793 -10.983 0.175 310 HD3 ARG 43 HD1 ARG 43 3.563 -12.214 1.422 311 HE ARG 43 HE ARG 43 5.926 -12.982 0.258 312 HH11 ARG 43 HH11 ARG 43 7.949 -12.201 0.894 313 HH12 ARG 43 HH12 ARG 43 8.065 -10.640 1.637 314 HH21 ARG 43 HH21 ARG 43 4.658 -10.015 1.475 315 HH22 ARG 43 HH22 ARG 43 6.202 -9.403 1.966 316 H GLY 44 HN GLY 44 0.631 -11.812 -3.855 317 HA2 GLY 44 HA2 GLY 44 -1.572 -11.496 -4.731 318 HA3 GLY 44 HA1 GLY 44 -2.185 -12.646 -3.544 319 H TYR 45 HN TYR 45 -2.492 -9.530 -4.355 320 HA TYR 45 HA TYR 45 -2.749 -8.585 -1.524 321 HB2 TYR 45 HB2 TYR 45 -2.404 -6.301 -2.408 322 HB3 TYR 45 HB1 TYR 45 -1.028 -7.319 -2.753 323 HD1 TYR 45 HD1 TYR 45 -3.633 -5.279 -4.184 324 HD2 TYR 45 HD2 TYR 45 -0.857 -8.432 -5.005 325 HE1 TYR 45 HE1 TYR 45 -3.866 -4.843 -6.605 326 HE2 TYR 45 HE2 TYR 45 -1.090 -8.013 -7.441 327 HH TYR 45 HH TYR 45 -3.538 -6.350 -8.782 328 H PHE 46 HN PHE 46 -4.381 -6.642 -1.525 329 HA PHE 46 HA PHE 46 -6.786 -7.414 -3.149 330 HB2 PHE 46 HB2 PHE 46 -7.285 -8.205 -1.003 331 HB3 PHE 46 HB1 PHE 46 -6.484 -6.870 -0.208 332 HD1 PHE 46 HD1 PHE 46 -7.600 -4.824 0.177 333 HD2 PHE 46 HD2 PHE 46 -9.511 -7.909 -2.086 334 HE1 PHE 46 HE1 PHE 46 -9.761 -3.604 0.359 335 HE2 PHE 46 HE2 PHE 46 -11.675 -6.706 -1.916 336 HZ PHE 46 HZ PHE 46 -11.800 -4.551 -0.691 337 H TYR 47 HN TYR 47 -7.213 -5.785 -4.474 338 HA TYR 47 HA TYR 47 -6.945 -2.962 -3.477 339 HB2 TYR 47 HB2 TYR 47 -5.107 -3.545 -5.054 340 HB3 TYR 47 HB1 TYR 47 -6.315 -3.956 -6.273 341 HD1 TYR 47 HD1 TYR 47 -4.884 -1.211 -4.245 342 HD2 TYR 47 HD2 TYR 47 -7.559 -2.254 -7.440 343 HE1 TYR 47 HE1 TYR 47 -5.075 1.169 -4.863 344 HE2 TYR 47 HE2 TYR 47 -7.743 0.140 -8.066 345 HH TYR 47 HH TYR 47 -7.347 2.481 -6.495 346 H THR 48 HN THR 48 -9.058 -2.343 -3.273 347 HA THR 48 HA THR 48 -10.714 -1.792 -5.472 348 HB THR 48 HB THR 48 -11.125 -4.110 -5.901 349 HG1 THR 48 HG1 THR 48 -12.985 -2.772 -5.762 350 HG21 THR 48 HG21 THR 48 -11.482 -5.771 -4.290 351 HG22 THR 48 HG22 THR 48 -11.993 -4.613 -3.068 352 HG23 THR 48 HG23 THR 48 -10.291 -4.750 -3.493 353 H LYS 49 HN LYS 49 -10.836 0.046 -4.063 354 HA LYS 49 HA LYS 49 -12.999 -0.195 -2.036 355 HB2 LYS 49 HB2 LYS 49 -10.235 0.929 -1.520 356 HB3 LYS 49 HB1 LYS 49 -11.627 1.287 -0.503 357 HG2 LYS 49 HG2 LYS 49 -11.946 -1.210 -0.216 358 HG3 LYS 49 HG1 LYS 49 -10.404 -1.430 -1.038 359 HD2 LYS 49 HD2 LYS 49 -9.716 -1.415 1.194 360 HD3 LYS 49 HD1 LYS 49 -9.511 0.281 0.767 361 HE2 LYS 49 HE2 LYS 49 -11.657 0.843 1.779 362 HE3 LYS 49 HE1 LYS 49 -11.998 -0.860 2.085 363 HZ1 LYS 49 HZ1 LYS 49 -10.289 0.968 3.526 364 HZ2 LYS 49 HZ2 LYS 49 -9.600 -0.559 3.243 365 HZ3 LYS 49 HZ3 LYS 49 -11.082 -0.431 4.063 366 HA PRO 50 HA PRO 50 -13.048 3.273 -5.432 367 HB2 PRO 50 HB2 PRO 50 -15.903 2.775 -4.741 368 HB3 PRO 50 HB1 PRO 50 -15.133 2.894 -6.334 369 HG2 PRO 50 HG2 PRO 50 -15.790 0.519 -4.859 370 HG3 PRO 50 HG1 PRO 50 -15.029 0.637 -6.454 371 HD2 PRO 50 HD2 PRO 50 -13.752 -0.337 -4.201 372 HD3 PRO 50 HD1 PRO 50 -12.906 0.365 -5.598 373 H THR 51 HN THR 51 -12.457 5.131 -4.335 374 HA THR 51 HA THR 51 -14.453 6.391 -2.578 375 HB THR 51 HB THR 51 -13.202 5.060 -0.956 376 HG1 THR 51 HG1 THR 51 -12.978 6.705 0.346 377 HG21 THR 51 HG21 THR 51 -11.168 4.809 -2.410 378 HG22 THR 51 HG22 THR 51 -10.797 5.221 -0.736 379 HG23 THR 51 HG23 THR 51 -10.723 6.462 -1.987 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 -8.388 2.126 0.236 2 H2 GLY 1 HT2 GLY 1 -9.679 3.230 0.222 3 H3 GLY 1 HT3 GLY 1 -9.512 2.132 1.507 4 HA2 GLY 1 HA2 GLY 1 -8.829 4.650 1.838 5 HA3 GLY 1 HA1 GLY 1 -7.733 3.340 2.367 6 H ILE 2 HN ILE 2 -6.545 2.076 0.574 7 HA ILE 2 HA ILE 2 -4.057 3.318 1.098 8 HB ILE 2 HB ILE 2 -4.310 0.968 0.338 9 HG12 ILE 2 HG12 ILE 2 -2.663 2.563 -1.637 10 HG13 ILE 2 HG11 ILE 2 -2.167 2.288 0.027 11 HG21 ILE 2 HG21 ILE 2 -4.819 0.469 -1.980 12 HG22 ILE 2 HG22 ILE 2 -4.887 2.183 -2.372 13 HG23 ILE 2 HG23 ILE 2 -6.113 1.473 -1.328 14 HD11 ILE 2 HD11 ILE 2 -2.964 -0.204 -1.318 15 HD12 ILE 2 HD12 ILE 2 -1.501 0.179 -0.421 16 HD13 ILE 2 HD13 ILE 2 -1.623 0.610 -2.116 17 H VAL 3 HN VAL 3 -6.445 3.920 -1.342 18 HA VAL 3 HA VAL 3 -4.861 5.265 -3.279 19 HB VAL 3 HB VAL 3 -7.693 5.994 -2.515 20 HG11 VAL 3 HG11 VAL 3 -6.271 5.845 -5.178 21 HG12 VAL 3 HG12 VAL 3 -6.482 7.325 -4.241 22 HG13 VAL 3 HG13 VAL 3 -7.891 6.476 -4.879 23 HG21 VAL 3 HG21 VAL 3 -6.629 3.586 -4.006 24 HG22 VAL 3 HG22 VAL 3 -8.293 4.149 -4.170 25 HG23 VAL 3 HG23 VAL 3 -7.697 3.603 -2.603 26 H GLU 4 HN GLU 4 -6.423 6.396 -0.330 27 HA GLU 4 HA GLU 4 -5.674 9.176 -0.810 28 HB2 GLU 4 HB2 GLU 4 -6.498 8.009 1.853 29 HB3 GLU 4 HB1 GLU 4 -6.737 9.652 1.256 30 HG2 GLU 4 HG2 GLU 4 -8.173 8.599 -0.597 31 HG3 GLU 4 HG1 GLU 4 -8.146 7.127 0.377 32 H GLN 5 HN GLN 5 -4.142 6.413 0.600 33 HA GLN 5 HA GLN 5 -2.231 8.053 2.156 34 HB2 GLN 5 HB2 GLN 5 -2.276 5.057 1.696 35 HB3 GLN 5 HB1 GLN 5 -1.332 5.923 2.909 36 HG2 GLN 5 HG2 GLN 5 -3.438 6.742 3.937 37 HG3 GLN 5 HG1 GLN 5 -4.358 5.814 2.753 38 HE21 GLN 5 HE21 GLN 5 -1.614 4.029 3.371 39 HE22 GLN 5 HE22 GLN 5 -2.208 3.022 4.601 40 H CYS 6 HN CYS 6 -2.357 6.325 -0.922 41 HA CYS 6 HA CYS 6 0.563 6.758 -1.314 42 HB2 CYS 6 HB2 CYS 6 -1.513 5.057 -2.675 43 HB3 CYS 6 HB1 CYS 6 0.079 5.310 -3.364 44 H CYS 7 HN CYS 7 -2.588 7.724 -2.609 45 HA CYS 7 HA CYS 7 -1.262 9.190 -4.825 46 HB2 CYS 7 HB2 CYS 7 -3.454 7.854 -5.052 47 HB3 CYS 7 HB1 CYS 7 -4.216 9.187 -4.203 48 H THR 8 HN THR 8 -3.754 10.079 -2.407 49 HA THR 8 HA THR 8 -3.291 12.878 -2.641 50 HB THR 8 HB THR 8 -4.206 11.476 -0.120 51 HG1 THR 8 HG1 THR 8 -6.189 12.198 -1.805 52 HG21 THR 8 HG21 THR 8 -5.654 13.483 0.016 53 HG22 THR 8 HG22 THR 8 -4.888 14.101 -1.448 54 HG23 THR 8 HG23 THR 8 -3.935 13.877 0.019 55 H SER 9 HN SER 9 -1.410 10.398 -1.377 56 HA SER 9 HA SER 9 0.535 12.281 -0.288 57 HB2 SER 9 HB2 SER 9 -0.491 10.223 1.646 58 HB3 SER 9 HB1 SER 9 0.332 11.742 1.977 59 HG SER 9 HG SER 9 -2.081 11.537 2.287 60 H ILE 10 HN ILE 10 2.515 11.060 0.444 61 HA ILE 10 HA ILE 10 2.950 8.732 -1.311 62 HB ILE 10 HB ILE 10 4.825 10.167 0.592 63 HG12 ILE 10 HG12 ILE 10 4.694 10.403 -2.417 64 HG13 ILE 10 HG11 ILE 10 3.808 11.481 -1.355 65 HG21 ILE 10 HG21 ILE 10 5.387 8.257 -1.706 66 HG22 ILE 10 HG22 ILE 10 5.555 7.862 0.004 67 HG23 ILE 10 HG23 ILE 10 6.602 9.074 -0.727 68 HD11 ILE 10 HD11 ILE 10 5.913 12.122 -0.240 69 HD12 ILE 10 HD12 ILE 10 5.982 12.458 -1.970 70 HD13 ILE 10 HD13 ILE 10 6.803 11.042 -1.313 71 H CYS 11 HN CYS 11 3.290 6.629 -0.576 72 HA CYS 11 HA CYS 11 2.746 6.139 2.337 73 HB2 CYS 11 HB2 CYS 11 2.196 3.757 1.335 74 HB3 CYS 11 HB1 CYS 11 1.014 5.054 1.205 75 H SER 12 HN SER 12 3.859 4.287 3.293 76 HA SER 12 HA SER 12 6.629 3.965 2.212 77 HB2 SER 12 HB2 SER 12 5.456 3.596 4.976 78 HB3 SER 12 HB1 SER 12 7.092 3.105 4.551 79 HG SER 12 HG SER 12 6.392 5.656 3.775 80 H LEU 13 HN LEU 13 7.490 1.873 1.961 81 HA LEU 13 HA LEU 13 5.956 -0.144 0.916 82 HB2 LEU 13 HB2 LEU 13 8.593 0.170 1.397 83 HB3 LEU 13 HB1 LEU 13 8.247 -0.997 2.662 84 HG LEU 13 HG LEU 13 7.224 -2.495 0.944 85 HD11 LEU 13 HD11 LEU 13 8.197 -1.711 -1.482 86 HD12 LEU 13 HD12 LEU 13 7.816 -0.139 -0.783 87 HD13 LEU 13 HD13 LEU 13 6.562 -1.365 -0.934 88 HD21 LEU 13 HD21 LEU 13 9.578 -2.737 1.659 89 HD22 LEU 13 HD22 LEU 13 10.077 -1.616 0.392 90 HD23 LEU 13 HD23 LEU 13 9.383 -3.181 -0.037 91 H TYR 14 HN TYR 14 6.546 0.453 4.364 92 HA TYR 14 HA TYR 14 5.429 -2.036 5.262 93 HB2 TYR 14 HB2 TYR 14 5.978 -1.217 7.314 94 HB3 TYR 14 HB1 TYR 14 6.568 0.217 6.486 95 HD1 TYR 14 HD1 TYR 14 5.573 2.289 6.924 96 HD2 TYR 14 HD2 TYR 14 3.439 -1.292 7.863 97 HE1 TYR 14 HE1 TYR 14 3.825 3.641 8.058 98 HE2 TYR 14 HE2 TYR 14 1.686 0.038 8.998 99 HH TYR 14 HH TYR 14 2.073 3.149 9.957 100 H GLN 15 HN GLN 15 3.981 1.040 4.356 101 HA GLN 15 HA GLN 15 1.318 0.252 5.225 102 HB2 GLN 15 HB2 GLN 15 2.051 2.425 3.238 103 HB3 GLN 15 HB1 GLN 15 0.582 2.301 4.194 104 HG2 GLN 15 HG2 GLN 15 1.823 2.665 6.247 105 HG3 GLN 15 HG1 GLN 15 3.349 2.640 5.363 106 HE21 GLN 15 HE21 GLN 15 1.220 4.101 3.305 107 HE22 GLN 15 HE22 GLN 15 1.480 5.723 3.725 108 H LEU 16 HN LEU 16 3.295 -0.026 2.359 109 HA LEU 16 HA LEU 16 1.088 -0.722 0.605 110 HB2 LEU 16 HB2 LEU 16 3.615 0.197 0.179 111 HB3 LEU 16 HB1 LEU 16 3.894 -1.517 -0.074 112 HG LEU 16 HG LEU 16 2.065 -1.551 -1.745 113 HD11 LEU 16 HD11 LEU 16 1.607 1.037 -2.498 114 HD12 LEU 16 HD12 LEU 16 1.693 1.208 -0.745 115 HD13 LEU 16 HD13 LEU 16 0.543 0.095 -1.471 116 HD21 LEU 16 HD21 LEU 16 4.648 -0.375 -2.026 117 HD22 LEU 16 HD22 LEU 16 3.545 0.591 -2.995 118 HD23 LEU 16 HD23 LEU 16 3.657 -1.139 -3.266 119 H GLU 17 HN GLU 17 3.712 -2.508 2.215 120 HA GLU 17 HA GLU 17 2.894 -5.110 1.323 121 HB2 GLU 17 HB2 GLU 17 4.260 -4.347 3.931 122 HB3 GLU 17 HB1 GLU 17 4.230 -5.960 3.218 123 HG2 GLU 17 HG2 GLU 17 5.664 -5.360 1.468 124 HG3 GLU 17 HG1 GLU 17 5.304 -3.639 1.623 125 H ASN 18 HN ASN 18 1.701 -2.900 3.635 126 HA ASN 18 HA ASN 18 0.319 -4.679 5.398 127 HB2 ASN 18 HB2 ASN 18 0.461 -1.803 4.836 128 HB3 ASN 18 HB1 ASN 18 -1.108 -2.275 5.415 129 HD21 ASN 18 HD21 ASN 18 1.335 -0.816 6.678 130 HD22 ASN 18 HD22 ASN 18 1.467 -1.609 8.163 131 H TYR 19 HN TYR 19 -0.620 -3.249 2.259 132 HA TYR 19 HA TYR 19 -3.358 -4.333 2.510 133 HB2 TYR 19 HB2 TYR 19 -1.904 -2.929 0.265 134 HB3 TYR 19 HB1 TYR 19 -3.559 -3.526 0.123 135 HD1 TYR 19 HD1 TYR 19 -5.356 -2.619 1.630 136 HD2 TYR 19 HD2 TYR 19 -1.397 -0.986 1.531 137 HE1 TYR 19 HE1 TYR 19 -6.172 -0.580 2.797 138 HE2 TYR 19 HE2 TYR 19 -2.200 1.053 2.689 139 HH TYR 19 HH TYR 19 -4.611 1.349 4.417 140 H CYS 20 HN CYS 20 -0.453 -5.690 1.999 141 HA CYS 20 HA CYS 20 -1.453 -7.709 0.029 142 HB2 CYS 20 HB2 CYS 20 0.578 -6.750 -0.737 143 HB3 CYS 20 HB1 CYS 20 1.312 -6.837 0.862 144 H ASN 21 HN ASN 21 -1.380 -9.896 0.614 145 HA ASN 21 HA ASN 21 -1.324 -10.419 3.517 146 HB2 ASN 21 HB2 ASN 21 -2.026 -12.763 2.591 147 HB3 ASN 21 HB1 ASN 21 -3.179 -11.439 2.501 148 HD21 ASN 21 HD21 ASN 21 -4.213 -12.377 0.597 149 HD22 ASN 21 HD22 ASN 21 -3.446 -12.357 -0.914 150 H1 PHE 22 HT1 PHE 22 12.726 0.766 -1.210 151 H2 PHE 22 HT2 PHE 22 11.755 1.527 -0.042 152 H3 PHE 22 HT3 PHE 22 12.988 2.396 -0.824 153 HA PHE 22 HA PHE 22 11.622 1.648 -2.948 154 HB2 PHE 22 HB2 PHE 22 10.002 0.573 -1.168 155 HB3 PHE 22 HB1 PHE 22 9.417 2.222 -0.966 156 HD1 PHE 22 HD1 PHE 22 8.070 3.287 -2.665 157 HD2 PHE 22 HD2 PHE 22 9.881 -0.539 -3.399 158 HE1 PHE 22 HE1 PHE 22 6.697 3.029 -4.715 159 HE2 PHE 22 HE2 PHE 22 8.512 -0.792 -5.449 160 HZ PHE 22 HZ PHE 22 6.920 0.991 -6.107 161 H VAL 23 HN VAL 23 11.174 3.544 -4.082 162 HA VAL 23 HA VAL 23 12.063 6.024 -2.970 163 HB VAL 23 HB VAL 23 12.007 5.471 -5.425 164 HG11 VAL 23 HG11 VAL 23 9.075 6.208 -5.255 165 HG12 VAL 23 HG12 VAL 23 9.622 4.532 -5.247 166 HG13 VAL 23 HG13 VAL 23 9.953 5.560 -6.641 167 HG21 VAL 23 HG21 VAL 23 12.183 7.819 -4.478 168 HG22 VAL 23 HG22 VAL 23 10.444 7.975 -4.727 169 HG23 VAL 23 HG23 VAL 23 11.514 7.735 -6.108 170 H ASN 24 HN ASN 24 10.778 7.955 -2.587 171 HA ASN 24 HA ASN 24 8.070 7.326 -1.474 172 HB2 ASN 24 HB2 ASN 24 8.773 9.920 -0.648 173 HB3 ASN 24 HB1 ASN 24 8.900 8.461 0.328 174 HD21 ASN 24 HD21 ASN 24 11.048 7.304 0.256 175 HD22 ASN 24 HD22 ASN 24 12.452 8.199 -0.074 176 H GLN 25 HN GLN 25 6.880 7.508 -3.405 177 HA GLN 25 HA GLN 25 6.627 10.292 -4.460 178 HB2 GLN 25 HB2 GLN 25 8.047 8.908 -6.002 179 HB3 GLN 25 HB1 GLN 25 6.692 7.799 -6.195 180 HG2 GLN 25 HG2 GLN 25 5.335 9.901 -6.903 181 HG3 GLN 25 HG1 GLN 25 6.907 10.666 -7.086 182 HE21 GLN 25 HE21 GLN 25 8.264 8.196 -7.907 183 HE22 GLN 25 HE22 GLN 25 7.744 7.884 -9.482 184 H HIS 26 HN HIS 26 4.525 10.873 -5.029 185 HA HIS 26 HA HIS 26 2.391 9.367 -3.822 186 HB2 HIS 26 HB2 HIS 26 2.180 11.582 -5.883 187 HB3 HIS 26 HB1 HIS 26 0.926 11.061 -4.767 188 HD1 HIS 26 HD1 HIS 26 0.743 12.478 -2.736 189 HD2 HIS 26 HD2 HIS 26 4.623 12.493 -4.263 190 HE1 HIS 26 HE1 HIS 26 2.087 14.048 -1.267 191 HE2 HIS 26 HE2 HIS 26 4.444 14.083 -2.203 192 H LEU 27 HN LEU 27 1.812 7.417 -4.720 193 HA LEU 27 HA LEU 27 1.926 7.044 -7.646 194 HB2 LEU 27 HB2 LEU 27 0.963 5.086 -5.568 195 HB3 LEU 27 HB1 LEU 27 1.520 4.737 -7.189 196 HG LEU 27 HG LEU 27 3.358 6.049 -5.178 197 HD11 LEU 27 HD11 LEU 27 2.961 3.081 -5.642 198 HD12 LEU 27 HD12 LEU 27 2.535 3.956 -4.171 199 HD13 LEU 27 HD13 LEU 27 4.226 3.807 -4.651 200 HD21 LEU 27 HD21 LEU 27 3.768 4.369 -7.666 201 HD22 LEU 27 HD22 LEU 27 5.063 4.963 -6.628 202 HD23 LEU 27 HD23 LEU 27 4.053 6.103 -7.514 203 H CYS 28 HN CYS 28 0.098 6.522 -8.879 204 HA CYS 28 HA CYS 28 -2.573 6.512 -7.677 205 HB2 CYS 28 HB2 CYS 28 -1.850 8.662 -9.693 206 HB3 CYS 28 HB1 CYS 28 -3.402 8.431 -8.898 207 H GLY 29 HN GLY 29 -4.183 6.553 -9.790 208 HA2 GLY 29 HA2 GLY 29 -4.847 5.212 -11.613 209 HA3 GLY 29 HA1 GLY 29 -3.275 5.635 -12.290 210 H SER 30 HN SER 30 -2.814 3.573 -13.121 211 HA SER 30 HA SER 30 -3.044 1.196 -11.458 212 HB2 SER 30 HB2 SER 30 -1.352 1.346 -13.946 213 HB3 SER 30 HB1 SER 30 -2.282 -0.013 -13.315 214 HG SER 30 HG SER 30 -3.053 2.082 -14.909 215 H ASP 31 HN ASP 31 -0.632 3.643 -11.906 216 HA ASP 31 HA ASP 31 1.790 2.338 -11.393 217 HB2 ASP 31 HB2 ASP 31 0.915 4.888 -9.994 218 HB3 ASP 31 HB1 ASP 31 2.565 4.392 -10.359 219 H LEU 32 HN LEU 32 -0.341 3.694 -8.891 220 HA LEU 32 HA LEU 32 0.820 2.615 -6.592 221 HB2 LEU 32 HB2 LEU 32 -1.042 4.141 -6.459 222 HB3 LEU 32 HB1 LEU 32 -2.080 3.041 -7.358 223 HG LEU 32 HG LEU 32 -2.077 1.454 -5.517 224 HD11 LEU 32 HD11 LEU 32 -0.954 2.457 -3.314 225 HD12 LEU 32 HD12 LEU 32 0.083 3.265 -4.477 226 HD13 LEU 32 HD13 LEU 32 -0.008 1.509 -4.457 227 HD21 LEU 32 HD21 LEU 32 -2.546 4.297 -4.580 228 HD22 LEU 32 HD22 LEU 32 -3.246 2.851 -3.863 229 HD23 LEU 32 HD23 LEU 32 -3.685 3.324 -5.501 230 H VAL 33 HN VAL 33 -1.811 1.087 -8.500 231 HA VAL 33 HA VAL 33 -1.902 -1.381 -7.167 232 HB VAL 33 HB VAL 33 -2.228 -0.715 -10.104 233 HG11 VAL 33 HG11 VAL 33 -2.430 -3.362 -8.666 234 HG12 VAL 33 HG12 VAL 33 -1.641 -3.001 -10.200 235 HG13 VAL 33 HG13 VAL 33 -3.401 -3.046 -10.104 236 HG21 VAL 33 HG21 VAL 33 -4.165 -1.408 -7.882 237 HG22 VAL 33 HG22 VAL 33 -4.613 -1.093 -9.559 238 HG23 VAL 33 HG23 VAL 33 -3.910 0.193 -8.577 239 H GLU 34 HN GLU 34 -0.073 -0.665 -10.115 240 HA GLU 34 HA GLU 34 1.356 -2.953 -10.442 241 HB2 GLU 34 HB2 GLU 34 1.631 -0.217 -11.226 242 HB3 GLU 34 HB1 GLU 34 3.236 -0.790 -10.796 243 HG2 GLU 34 HG2 GLU 34 2.960 -2.703 -12.335 244 HG3 GLU 34 HG1 GLU 34 1.345 -2.131 -12.753 245 H ALA 35 HN ALA 35 2.018 -0.402 -8.088 246 HA ALA 35 HA ALA 35 4.455 -1.462 -7.060 247 HB1 ALA 35 HB1 ALA 35 4.146 0.014 -5.241 248 HB2 ALA 35 HB2 ALA 35 2.387 -0.108 -5.324 249 HB3 ALA 35 HB3 ALA 35 3.268 0.804 -6.550 250 H LEU 36 HN LEU 36 1.136 -1.845 -5.706 251 HA LEU 36 HA LEU 36 1.815 -3.861 -3.858 252 HB2 LEU 36 HB2 LEU 36 -0.720 -3.665 -5.506 253 HB3 LEU 36 HB1 LEU 36 -0.535 -4.652 -4.060 254 HG LEU 36 HG LEU 36 0.043 -1.689 -3.935 255 HD11 LEU 36 HD11 LEU 36 -2.248 -1.216 -3.411 256 HD12 LEU 36 HD12 LEU 36 -2.671 -2.920 -3.427 257 HD13 LEU 36 HD13 LEU 36 -2.267 -2.099 -4.933 258 HD21 LEU 36 HD21 LEU 36 -1.136 -3.584 -1.886 259 HD22 LEU 36 HD22 LEU 36 -0.468 -1.982 -1.599 260 HD23 LEU 36 HD23 LEU 36 0.594 -3.311 -2.043 261 H TYR 37 HN TYR 37 0.894 -4.139 -7.278 262 HA TYR 37 HA TYR 37 1.035 -6.964 -7.496 263 HB2 TYR 37 HB2 TYR 37 0.255 -5.291 -9.261 264 HB3 TYR 37 HB1 TYR 37 1.946 -4.986 -9.599 265 HD1 TYR 37 HD1 TYR 37 -0.726 -7.536 -9.687 266 HD2 TYR 37 HD2 TYR 37 3.332 -6.602 -10.742 267 HE1 TYR 37 HE1 TYR 37 -0.641 -9.545 -11.137 268 HE2 TYR 37 HE2 TYR 37 3.417 -8.612 -12.193 269 HH TYR 37 HH TYR 37 2.206 -10.246 -13.140 270 H LEU 38 HN LEU 38 3.457 -4.513 -7.169 271 HA LEU 38 HA LEU 38 5.710 -6.241 -7.913 272 HB2 LEU 38 HB2 LEU 38 5.403 -3.623 -8.118 273 HB3 LEU 38 HB1 LEU 38 5.912 -3.622 -6.443 274 HG LEU 38 HG LEU 38 7.895 -5.107 -7.309 275 HD11 LEU 38 HD11 LEU 38 7.042 -5.398 -9.597 276 HD12 LEU 38 HD12 LEU 38 8.542 -4.475 -9.624 277 HD13 LEU 38 HD13 LEU 38 6.997 -3.649 -9.815 278 HD21 LEU 38 HD21 LEU 38 7.545 -2.133 -7.761 279 HD22 LEU 38 HD22 LEU 38 9.105 -2.944 -7.906 280 HD23 LEU 38 HD23 LEU 38 8.257 -2.933 -6.359 281 H VAL 39 HN VAL 39 4.716 -4.500 -4.977 282 HA VAL 39 HA VAL 39 6.448 -5.742 -3.139 283 HB VAL 39 HB VAL 39 3.640 -4.673 -2.659 284 HG11 VAL 39 HG11 VAL 39 6.001 -4.860 -0.780 285 HG12 VAL 39 HG12 VAL 39 4.642 -5.985 -0.772 286 HG13 VAL 39 HG13 VAL 39 4.381 -4.285 -0.397 287 HG21 VAL 39 HG21 VAL 39 6.343 -3.337 -2.760 288 HG22 VAL 39 HG22 VAL 39 4.920 -2.609 -2.028 289 HG23 VAL 39 HG23 VAL 39 4.928 -2.984 -3.750 290 H CYS 40 HN CYS 40 3.006 -6.493 -3.711 291 HA CYS 40 HA CYS 40 3.114 -8.892 -2.112 292 HB2 CYS 40 HB2 CYS 40 1.104 -7.307 -2.928 293 HB3 CYS 40 HB1 CYS 40 0.980 -8.540 -4.175 294 H GLY 41 HN GLY 41 3.542 -8.248 -5.554 295 HA2 GLY 41 HA2 GLY 41 4.035 -9.734 -7.317 296 HA3 GLY 41 HA1 GLY 41 4.997 -10.568 -6.099 297 H GLU 42 HN GLU 42 4.390 -12.629 -5.660 298 HA GLU 42 HA GLU 42 1.919 -13.683 -6.815 299 HB2 GLU 42 HB2 GLU 42 3.919 -15.019 -7.018 300 HB3 GLU 42 HB1 GLU 42 4.179 -14.975 -5.274 301 HG2 GLU 42 HG2 GLU 42 2.295 -16.348 -4.846 302 HG3 GLU 42 HG1 GLU 42 1.656 -16.117 -6.474 303 H ARG 43 HN ARG 43 2.933 -12.591 -3.686 304 HA ARG 43 HA ARG 43 1.342 -14.160 -1.982 305 HB2 ARG 43 HB2 ARG 43 2.293 -11.325 -1.867 306 HB3 ARG 43 HB1 ARG 43 1.099 -11.837 -0.684 307 HG2 ARG 43 HG2 ARG 43 2.622 -13.746 -0.086 308 HG3 ARG 43 HG1 ARG 43 3.834 -13.049 -1.163 309 HD2 ARG 43 HD2 ARG 43 3.428 -10.854 0.224 310 HD3 ARG 43 HD1 ARG 43 2.754 -11.957 1.425 311 HE ARG 43 HE ARG 43 5.204 -13.084 0.755 312 HH11 ARG 43 HH11 ARG 43 7.096 -12.596 1.893 313 HH12 ARG 43 HH12 ARG 43 7.209 -11.098 2.756 314 HH21 ARG 43 HH21 ARG 43 4.031 -10.038 1.860 315 HH22 ARG 43 HH22 ARG 43 5.473 -9.650 2.738 316 H GLY 44 HN GLY 44 0.371 -11.181 -3.655 317 HA2 GLY 44 HA2 GLY 44 -1.817 -10.984 -4.734 318 HA3 GLY 44 HA1 GLY 44 -2.460 -12.152 -3.583 319 H TYR 45 HN TYR 45 -2.772 -9.068 -4.351 320 HA TYR 45 HA TYR 45 -3.143 -8.126 -1.527 321 HB2 TYR 45 HB2 TYR 45 -2.613 -5.862 -2.355 322 HB3 TYR 45 HB1 TYR 45 -1.277 -6.937 -2.708 323 HD1 TYR 45 HD1 TYR 45 -3.807 -4.779 -4.133 324 HD2 TYR 45 HD2 TYR 45 -1.115 -7.994 -4.975 325 HE1 TYR 45 HE1 TYR 45 -4.014 -4.310 -6.552 326 HE2 TYR 45 HE2 TYR 45 -1.317 -7.543 -7.405 327 HH TYR 45 HH TYR 45 -3.483 -4.983 -8.609 328 H PHE 46 HN PHE 46 -4.887 -6.308 -1.528 329 HA PHE 46 HA PHE 46 -6.949 -6.876 -3.624 330 HB2 PHE 46 HB2 PHE 46 -8.425 -6.120 -1.383 331 HB3 PHE 46 HB1 PHE 46 -8.256 -7.759 -1.999 332 HD1 PHE 46 HD1 PHE 46 -7.744 -9.281 -0.322 333 HD2 PHE 46 HD2 PHE 46 -6.055 -5.378 -0.193 334 HE1 PHE 46 HE1 PHE 46 -6.546 -9.899 1.760 335 HE2 PHE 46 HE2 PHE 46 -4.853 -5.962 1.908 336 HZ PHE 46 HZ PHE 46 -5.091 -8.229 2.879 337 H TYR 47 HN TYR 47 -7.194 -5.166 -4.842 338 HA TYR 47 HA TYR 47 -7.151 -2.439 -3.577 339 HB2 TYR 47 HB2 TYR 47 -5.160 -2.862 -4.996 340 HB3 TYR 47 HB1 TYR 47 -6.221 -3.246 -6.351 341 HD1 TYR 47 HD1 TYR 47 -5.041 -0.583 -4.099 342 HD2 TYR 47 HD2 TYR 47 -7.441 -1.513 -7.531 343 HE1 TYR 47 HE1 TYR 47 -5.212 1.826 -4.629 344 HE2 TYR 47 HE2 TYR 47 -7.613 0.903 -8.067 345 HH TYR 47 HH TYR 47 -7.197 2.978 -7.349 346 H THR 48 HN THR 48 -9.337 -1.912 -3.546 347 HA THR 48 HA THR 48 -10.764 -1.259 -5.875 348 HB THR 48 HB THR 48 -11.036 -3.511 -6.552 349 HG1 THR 48 HG1 THR 48 -13.157 -3.725 -6.422 350 HG21 THR 48 HG21 THR 48 -10.186 -4.840 -4.825 351 HG22 THR 48 HG22 THR 48 -11.908 -5.199 -4.733 352 HG23 THR 48 HG23 THR 48 -11.186 -4.061 -3.597 353 H LYS 49 HN LYS 49 -13.322 -1.406 -5.241 354 HA LYS 49 HA LYS 49 -14.873 -0.239 -3.913 355 HB2 LYS 49 HB2 LYS 49 -13.653 -2.131 -1.884 356 HB3 LYS 49 HB1 LYS 49 -15.219 -1.344 -1.749 357 HG2 LYS 49 HG2 LYS 49 -14.638 -2.985 -4.200 358 HG3 LYS 49 HG1 LYS 49 -15.042 -3.817 -2.703 359 HD2 LYS 49 HD2 LYS 49 -16.787 -1.541 -3.638 360 HD3 LYS 49 HD1 LYS 49 -16.962 -3.127 -4.383 361 HE2 LYS 49 HE2 LYS 49 -17.278 -4.119 -2.109 362 HE3 LYS 49 HE1 LYS 49 -17.221 -2.494 -1.427 363 HZ1 LYS 49 HZ1 LYS 49 -19.470 -2.899 -1.723 364 HZ2 LYS 49 HZ2 LYS 49 -19.247 -3.674 -3.219 365 HZ3 LYS 49 HZ3 LYS 49 -19.066 -1.989 -3.096 366 HA PRO 50 HA PRO 50 -11.128 2.443 -2.383 367 HB2 PRO 50 HB2 PRO 50 -13.152 4.398 -3.350 368 HB3 PRO 50 HB1 PRO 50 -11.418 4.305 -3.706 369 HG2 PRO 50 HG2 PRO 50 -13.613 3.351 -5.300 370 HG3 PRO 50 HG1 PRO 50 -11.883 3.284 -5.671 371 HD2 PRO 50 HD2 PRO 50 -13.448 1.056 -5.186 372 HD3 PRO 50 HD1 PRO 50 -11.688 1.105 -4.950 373 H THR 51 HN THR 51 -11.208 3.796 -0.492 374 HA THR 51 HA THR 51 -13.716 4.524 0.766 375 HB THR 51 HB THR 51 -13.726 2.115 1.289 376 HG1 THR 51 HG1 THR 51 -12.955 3.608 3.568 377 HG21 THR 51 HG21 THR 51 -11.094 2.650 2.690 378 HG22 THR 51 HG22 THR 51 -11.243 1.840 1.130 379 HG23 THR 51 HG23 THR 51 -11.935 1.104 2.575 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 -8.305 4.536 3.510 2 H2 GLY 1 HT2 GLY 1 -9.875 4.383 2.881 3 H3 GLY 1 HT3 GLY 1 -8.948 5.761 2.526 4 HA2 GLY 1 HA2 GLY 1 -8.882 2.994 1.377 5 HA3 GLY 1 HA1 GLY 1 -8.468 4.578 0.660 6 H ILE 2 HN ILE 2 -6.925 2.520 0.022 7 HA ILE 2 HA ILE 2 -4.357 3.598 0.856 8 HB ILE 2 HB ILE 2 -4.640 1.229 0.173 9 HG12 ILE 2 HG12 ILE 2 -2.838 2.659 -1.796 10 HG13 ILE 2 HG11 ILE 2 -2.452 2.541 -0.084 11 HG21 ILE 2 HG21 ILE 2 -5.006 2.345 -2.617 12 HG22 ILE 2 HG22 ILE 2 -6.321 1.720 -1.630 13 HG23 ILE 2 HG23 ILE 2 -5.022 0.648 -2.151 14 HD11 ILE 2 HD11 ILE 2 -1.929 0.618 -2.105 15 HD12 ILE 2 HD12 ILE 2 -3.163 -0.090 -1.070 16 HD13 ILE 2 HD13 ILE 2 -1.643 0.467 -0.378 17 H VAL 3 HN VAL 3 -6.449 3.950 -1.964 18 HA VAL 3 HA VAL 3 -4.768 5.302 -3.735 19 HB VAL 3 HB VAL 3 -7.621 6.133 -3.175 20 HG11 VAL 3 HG11 VAL 3 -6.071 5.861 -5.755 21 HG12 VAL 3 HG12 VAL 3 -6.221 7.369 -4.853 22 HG13 VAL 3 HG13 VAL 3 -7.656 6.603 -5.536 23 HG21 VAL 3 HG21 VAL 3 -6.536 3.647 -4.513 24 HG22 VAL 3 HG22 VAL 3 -8.151 4.270 -4.853 25 HG23 VAL 3 HG23 VAL 3 -7.731 3.753 -3.220 26 H GLU 4 HN GLU 4 -6.535 6.575 -0.950 27 HA GLU 4 HA GLU 4 -5.677 9.310 -1.424 28 HB2 GLU 4 HB2 GLU 4 -6.621 8.241 1.239 29 HB3 GLU 4 HB1 GLU 4 -6.846 9.853 0.556 30 HG2 GLU 4 HG2 GLU 4 -8.195 8.678 -1.308 31 HG3 GLU 4 HG1 GLU 4 -8.219 7.279 -0.233 32 H GLN 5 HN GLN 5 -4.264 6.547 0.076 33 HA GLN 5 HA GLN 5 -2.390 8.133 1.719 34 HB2 GLN 5 HB2 GLN 5 -2.436 5.154 1.160 35 HB3 GLN 5 HB1 GLN 5 -1.511 5.962 2.415 36 HG2 GLN 5 HG2 GLN 5 -4.471 6.426 2.407 37 HG3 GLN 5 HG1 GLN 5 -3.922 4.835 2.899 38 HE21 GLN 5 HE21 GLN 5 -1.521 5.569 4.192 39 HE22 GLN 5 HE22 GLN 5 -1.892 6.479 5.568 40 H CYS 6 HN CYS 6 -2.293 6.087 -1.205 41 HA CYS 6 HA CYS 6 0.574 6.643 -1.569 42 HB2 CYS 6 HB2 CYS 6 -1.452 4.992 -3.065 43 HB3 CYS 6 HB1 CYS 6 0.203 5.186 -3.606 44 H CYS 7 HN CYS 7 -2.503 7.668 -3.010 45 HA CYS 7 HA CYS 7 -1.044 9.061 -5.185 46 HB2 CYS 7 HB2 CYS 7 -3.272 7.799 -5.478 47 HB3 CYS 7 HB1 CYS 7 -4.018 9.181 -4.693 48 H THR 8 HN THR 8 -3.645 10.145 -2.964 49 HA THR 8 HA THR 8 -3.081 12.897 -3.249 50 HB THR 8 HB THR 8 -4.037 11.633 -0.672 51 HG1 THR 8 HG1 THR 8 -5.146 11.563 -3.187 52 HG21 THR 8 HG21 THR 8 -3.721 14.037 -0.664 53 HG22 THR 8 HG22 THR 8 -5.446 13.668 -0.639 54 HG23 THR 8 HG23 THR 8 -4.677 14.196 -2.136 55 H SER 9 HN SER 9 -1.261 10.439 -1.868 56 HA SER 9 HA SER 9 0.716 12.324 -0.843 57 HB2 SER 9 HB2 SER 9 -0.431 10.376 1.144 58 HB3 SER 9 HB1 SER 9 0.496 11.839 1.445 59 HG SER 9 HG SER 9 -2.182 11.577 0.592 60 H ILE 10 HN ILE 10 2.524 10.878 0.304 61 HA ILE 10 HA ILE 10 2.964 8.541 -1.497 62 HB ILE 10 HB ILE 10 4.871 9.965 0.382 63 HG12 ILE 10 HG12 ILE 10 4.741 10.111 -2.631 64 HG13 ILE 10 HG11 ILE 10 3.943 11.274 -1.590 65 HG21 ILE 10 HG21 ILE 10 5.507 7.619 -0.124 66 HG22 ILE 10 HG22 ILE 10 6.605 8.758 -0.901 67 HG23 ILE 10 HG23 ILE 10 5.352 7.957 -1.848 68 HD11 ILE 10 HD11 ILE 10 6.003 12.000 -0.642 69 HD12 ILE 10 HD12 ILE 10 6.287 11.908 -2.380 70 HD13 ILE 10 HD13 ILE 10 6.876 10.626 -1.321 71 H CYS 11 HN CYS 11 3.013 6.481 -0.708 72 HA CYS 11 HA CYS 11 2.395 6.113 2.195 73 HB2 CYS 11 HB2 CYS 11 1.868 3.704 1.273 74 HB3 CYS 11 HB1 CYS 11 0.731 5.010 0.973 75 H SER 12 HN SER 12 3.434 4.347 3.330 76 HA SER 12 HA SER 12 6.255 3.925 2.449 77 HB2 SER 12 HB2 SER 12 4.874 3.659 5.126 78 HB3 SER 12 HB1 SER 12 6.520 3.107 4.841 79 HG SER 12 HG SER 12 5.560 5.621 5.220 80 H LEU 13 HN LEU 13 7.079 1.817 2.280 81 HA LEU 13 HA LEU 13 5.560 -0.196 1.194 82 HB2 LEU 13 HB2 LEU 13 8.183 0.085 1.840 83 HB3 LEU 13 HB1 LEU 13 7.730 -1.091 3.063 84 HG LEU 13 HG LEU 13 6.793 -2.545 1.259 85 HD11 LEU 13 HD11 LEU 13 7.933 -1.761 -1.088 86 HD12 LEU 13 HD12 LEU 13 7.553 -0.185 -0.397 87 HD13 LEU 13 HD13 LEU 13 6.276 -1.374 -0.643 88 HD21 LEU 13 HD21 LEU 13 9.682 -1.752 0.799 89 HD22 LEU 13 HD22 LEU 13 8.958 -3.331 0.493 90 HD23 LEU 13 HD23 LEU 13 9.133 -2.747 2.148 91 H TYR 14 HN TYR 14 5.957 0.482 4.655 92 HA TYR 14 HA TYR 14 4.756 -1.970 5.551 93 HB2 TYR 14 HB2 TYR 14 5.188 -1.104 7.612 94 HB3 TYR 14 HB1 TYR 14 5.855 0.296 6.784 95 HD1 TYR 14 HD1 TYR 14 4.873 2.396 7.098 96 HD2 TYR 14 HD2 TYR 14 2.623 -1.118 8.013 97 HE1 TYR 14 HE1 TYR 14 3.088 3.812 8.086 98 HE2 TYR 14 HE2 TYR 14 0.831 0.277 9.003 99 HH TYR 14 HH TYR 14 1.195 3.339 9.946 100 H GLN 15 HN GLN 15 3.404 1.101 4.484 101 HA GLN 15 HA GLN 15 0.686 0.374 5.224 102 HB2 GLN 15 HB2 GLN 15 1.555 2.471 3.213 103 HB3 GLN 15 HB1 GLN 15 0.035 2.398 4.092 104 HG2 GLN 15 HG2 GLN 15 1.162 2.827 6.192 105 HG3 GLN 15 HG1 GLN 15 2.737 2.730 5.404 106 HE21 GLN 15 HE21 GLN 15 0.729 4.160 3.184 107 HE22 GLN 15 HE22 GLN 15 1.026 5.789 3.545 108 H LEU 16 HN LEU 16 2.792 0.050 2.442 109 HA LEU 16 HA LEU 16 0.682 -0.696 0.603 110 HB2 LEU 16 HB2 LEU 16 3.213 0.208 0.271 111 HB3 LEU 16 HB1 LEU 16 3.531 -1.511 0.131 112 HG LEU 16 HG LEU 16 1.840 -1.672 -1.660 113 HD11 LEU 16 HD11 LEU 16 1.294 1.109 -0.814 114 HD12 LEU 16 HD12 LEU 16 0.243 -0.073 -1.584 115 HD13 LEU 16 HD13 LEU 16 1.353 0.870 -2.561 116 HD21 LEU 16 HD21 LEU 16 4.400 -0.470 -1.821 117 HD22 LEU 16 HD22 LEU 16 3.359 0.494 -2.858 118 HD23 LEU 16 HD23 LEU 16 3.487 -1.237 -3.118 119 H GLU 17 HN GLU 17 3.225 -2.469 2.359 120 HA GLU 17 HA GLU 17 2.420 -5.077 1.490 121 HB2 GLU 17 HB2 GLU 17 3.693 -4.281 4.135 122 HB3 GLU 17 HB1 GLU 17 3.682 -5.903 3.443 123 HG2 GLU 17 HG2 GLU 17 5.182 -5.333 1.738 124 HG3 GLU 17 HG1 GLU 17 4.822 -3.611 1.856 125 H ASN 18 HN ASN 18 1.194 -2.836 3.780 126 HA ASN 18 HA ASN 18 -0.265 -4.551 5.518 127 HB2 ASN 18 HB2 ASN 18 -0.099 -1.707 4.879 128 HB3 ASN 18 HB1 ASN 18 -1.719 -2.144 5.330 129 HD21 ASN 18 HD21 ASN 18 0.583 -0.642 6.759 130 HD22 ASN 18 HD22 ASN 18 0.586 -1.385 8.276 131 H TYR 19 HN TYR 19 -1.117 -3.231 2.308 132 HA TYR 19 HA TYR 19 -3.847 -4.345 2.494 133 HB2 TYR 19 HB2 TYR 19 -2.344 -3.039 0.210 134 HB3 TYR 19 HB1 TYR 19 -4.021 -3.577 0.117 135 HD1 TYR 19 HD1 TYR 19 -5.754 -2.543 1.620 136 HD2 TYR 19 HD2 TYR 19 -1.745 -1.051 1.360 137 HE1 TYR 19 HE1 TYR 19 -6.476 -0.424 2.695 138 HE2 TYR 19 HE2 TYR 19 -2.457 1.069 2.439 139 HH TYR 19 HH TYR 19 -5.823 1.805 2.983 140 H CYS 20 HN CYS 20 -0.834 -5.628 1.949 141 HA CYS 20 HA CYS 20 -1.803 -7.669 0.013 142 HB2 CYS 20 HB2 CYS 20 0.315 -6.765 -0.611 143 HB3 CYS 20 HB1 CYS 20 0.952 -6.963 1.024 144 H ASN 21 HN ASN 21 -1.820 -9.860 0.551 145 HA ASN 21 HA ASN 21 -2.252 -10.465 3.351 146 HB2 ASN 21 HB2 ASN 21 -2.315 -12.872 2.323 147 HB3 ASN 21 HB1 ASN 21 -3.586 -11.734 1.894 148 HD21 ASN 21 HD21 ASN 21 -3.746 -13.129 -0.134 149 HD22 ASN 21 HD22 ASN 21 -2.677 -12.807 -1.410 150 H1 PHE 22 HT1 PHE 22 12.467 2.069 0.250 151 H2 PHE 22 HT2 PHE 22 12.990 0.696 -0.602 152 H3 PHE 22 HT3 PHE 22 11.611 0.611 0.388 153 HA PHE 22 HA PHE 22 11.647 1.092 -2.300 154 HB2 PHE 22 HB2 PHE 22 9.830 0.354 -0.475 155 HB3 PHE 22 HB1 PHE 22 9.340 2.039 -0.612 156 HD1 PHE 22 HD1 PHE 22 8.277 2.877 -2.628 157 HD2 PHE 22 HD2 PHE 22 9.776 -1.145 -2.445 158 HE1 PHE 22 HE1 PHE 22 7.071 2.330 -4.727 159 HE2 PHE 22 HE2 PHE 22 8.573 -1.688 -4.541 160 HZ PHE 22 HZ PHE 22 7.221 0.048 -5.683 161 H VAL 23 HN VAL 23 10.852 2.984 -3.529 162 HA VAL 23 HA VAL 23 12.104 5.451 -2.572 163 HB VAL 23 HB VAL 23 12.152 4.747 -4.984 164 HG11 VAL 23 HG11 VAL 23 9.264 5.660 -5.043 165 HG12 VAL 23 HG12 VAL 23 9.704 3.959 -4.897 166 HG13 VAL 23 HG13 VAL 23 10.180 4.873 -6.328 167 HG21 VAL 23 HG21 VAL 23 11.810 6.994 -5.831 168 HG22 VAL 23 HG22 VAL 23 12.427 7.129 -4.184 169 HG23 VAL 23 HG23 VAL 23 10.711 7.374 -4.505 170 H ASN 24 HN ASN 24 10.981 7.441 -2.232 171 HA ASN 24 HA ASN 24 8.191 7.072 -1.277 172 HB2 ASN 24 HB2 ASN 24 9.495 9.716 -0.929 173 HB3 ASN 24 HB1 ASN 24 8.649 8.724 0.243 174 HD21 ASN 24 HD21 ASN 24 9.895 7.330 1.594 175 HD22 ASN 24 HD22 ASN 24 11.590 7.257 1.530 176 H GLN 25 HN GLN 25 7.057 7.108 -3.240 177 HA GLN 25 HA GLN 25 6.997 9.747 -4.638 178 HB2 GLN 25 HB2 GLN 25 8.365 8.067 -5.928 179 HB3 GLN 25 HB1 GLN 25 6.920 7.066 -6.056 180 HG2 GLN 25 HG2 GLN 25 5.802 9.214 -7.043 181 HG3 GLN 25 HG1 GLN 25 7.457 9.762 -7.277 182 HE21 GLN 25 HE21 GLN 25 8.551 7.101 -7.770 183 HE22 GLN 25 HE22 GLN 25 8.005 6.640 -9.299 184 H HIS 26 HN HIS 26 4.965 10.380 -5.358 185 HA HIS 26 HA HIS 26 2.690 9.112 -4.091 186 HB2 HIS 26 HB2 HIS 26 2.673 11.220 -6.270 187 HB3 HIS 26 HB1 HIS 26 1.388 10.869 -5.124 188 HD1 HIS 26 HD1 HIS 26 1.300 12.509 -3.265 189 HD2 HIS 26 HD2 HIS 26 5.204 11.981 -4.636 190 HE1 HIS 26 HE1 HIS 26 2.764 14.051 -1.886 191 HE2 HIS 26 HE2 HIS 26 5.136 13.754 -2.729 192 H LEU 27 HN LEU 27 1.989 7.171 -4.929 193 HA LEU 27 HA LEU 27 2.187 6.677 -7.838 194 HB2 LEU 27 HB2 LEU 27 1.028 4.823 -5.766 195 HB3 LEU 27 HB1 LEU 27 1.697 4.418 -7.330 196 HG LEU 27 HG LEU 27 3.413 5.693 -5.189 197 HD11 LEU 27 HD11 LEU 27 4.164 3.423 -4.604 198 HD12 LEU 27 HD12 LEU 27 2.952 2.742 -5.691 199 HD13 LEU 27 HD13 LEU 27 2.448 3.632 -4.254 200 HD21 LEU 27 HD21 LEU 27 3.972 3.993 -7.636 201 HD22 LEU 27 HD22 LEU 27 5.196 4.564 -6.503 202 HD23 LEU 27 HD23 LEU 27 4.285 5.721 -7.471 203 H CYS 28 HN CYS 28 0.382 6.232 -9.115 204 HA CYS 28 HA CYS 28 -2.327 6.402 -8.014 205 HB2 CYS 28 HB2 CYS 28 -1.393 8.449 -10.050 206 HB3 CYS 28 HB1 CYS 28 -3.001 8.316 -9.351 207 H GLY 29 HN GLY 29 -3.848 6.461 -10.201 208 HA2 GLY 29 HA2 GLY 29 -4.508 5.076 -11.996 209 HA3 GLY 29 HA1 GLY 29 -2.895 5.407 -12.626 210 H SER 30 HN SER 30 -2.431 3.320 -13.349 211 HA SER 30 HA SER 30 -2.839 1.009 -11.611 212 HB2 SER 30 HB2 SER 30 -1.083 1.003 -14.060 213 HB3 SER 30 HB1 SER 30 -2.069 -0.300 -13.398 214 HG SER 30 HG SER 30 -2.855 0.979 -15.317 215 H ASP 31 HN ASP 31 -0.339 3.358 -12.032 216 HA ASP 31 HA ASP 31 2.024 1.976 -11.431 217 HB2 ASP 31 HB2 ASP 31 1.220 4.581 -10.094 218 HB3 ASP 31 HB1 ASP 31 2.853 4.019 -10.432 219 H LEU 32 HN LEU 32 -0.220 3.394 -9.072 220 HA LEU 32 HA LEU 32 0.842 2.374 -6.691 221 HB2 LEU 32 HB2 LEU 32 -1.015 3.917 -6.679 222 HB3 LEU 32 HB1 LEU 32 -2.022 2.798 -7.589 223 HG LEU 32 HG LEU 32 -2.107 1.260 -5.717 224 HD11 LEU 32 HD11 LEU 32 -0.023 1.335 -4.656 225 HD12 LEU 32 HD12 LEU 32 -1.028 2.214 -3.508 226 HD13 LEU 32 HD13 LEU 32 0.013 3.094 -4.616 227 HD21 LEU 32 HD21 LEU 32 -2.560 4.133 -4.873 228 HD22 LEU 32 HD22 LEU 32 -3.261 2.723 -4.088 229 HD23 LEU 32 HD23 LEU 32 -3.701 3.121 -5.747 230 H VAL 33 HN VAL 33 -1.738 0.834 -8.662 231 HA VAL 33 HA VAL 33 -1.887 -1.603 -7.274 232 HB VAL 33 HB VAL 33 -2.164 -0.985 -10.225 233 HG11 VAL 33 HG11 VAL 33 -2.377 -3.619 -8.762 234 HG12 VAL 33 HG12 VAL 33 -1.575 -3.272 -10.293 235 HG13 VAL 33 HG13 VAL 33 -3.335 -3.320 -10.212 236 HG21 VAL 33 HG21 VAL 33 -4.544 -1.290 -9.740 237 HG22 VAL 33 HG22 VAL 33 -3.852 -0.082 -8.656 238 HG23 VAL 33 HG23 VAL 33 -4.163 -1.717 -8.071 239 H GLU 34 HN GLU 34 0.025 -0.958 -10.190 240 HA GLU 34 HA GLU 34 1.426 -3.285 -10.420 241 HB2 GLU 34 HB2 GLU 34 1.770 -0.566 -11.272 242 HB3 GLU 34 HB1 GLU 34 3.352 -1.177 -10.808 243 HG2 GLU 34 HG2 GLU 34 2.942 -3.173 -12.277 244 HG3 GLU 34 HG1 GLU 34 1.446 -2.410 -12.817 245 H ALA 35 HN ALA 35 2.081 -0.663 -8.140 246 HA ALA 35 HA ALA 35 4.470 -1.739 -7.020 247 HB1 ALA 35 HB1 ALA 35 2.383 -0.281 -5.393 248 HB2 ALA 35 HB2 ALA 35 3.357 0.567 -6.594 249 HB3 ALA 35 HB3 ALA 35 4.138 -0.225 -5.227 250 H LEU 36 HN LEU 36 1.120 -1.996 -5.727 251 HA LEU 36 HA LEU 36 1.681 -3.969 -3.806 252 HB2 LEU 36 HB2 LEU 36 -0.780 -3.680 -5.553 253 HB3 LEU 36 HB1 LEU 36 -0.694 -4.731 -4.142 254 HG LEU 36 HG LEU 36 -0.003 -1.803 -3.872 255 HD11 LEU 36 HD11 LEU 36 -2.334 -1.324 -3.343 256 HD12 LEU 36 HD12 LEU 36 -2.776 -2.996 -3.664 257 HD13 LEU 36 HD13 LEU 36 -2.230 -1.961 -4.982 258 HD21 LEU 36 HD21 LEU 36 -0.710 -2.175 -1.578 259 HD22 LEU 36 HD22 LEU 36 0.414 -3.456 -2.011 260 HD23 LEU 36 HD23 LEU 36 -1.314 -3.776 -1.982 261 H TYR 37 HN TYR 37 0.852 -4.340 -7.245 262 HA TYR 37 HA TYR 37 0.950 -7.174 -7.351 263 HB2 TYR 37 HB2 TYR 37 0.249 -5.523 -9.194 264 HB3 TYR 37 HB1 TYR 37 1.959 -5.332 -9.531 265 HD1 TYR 37 HD1 TYR 37 -0.939 -7.499 -9.858 266 HD2 TYR 37 HD2 TYR 37 3.337 -7.314 -10.221 267 HE1 TYR 37 HE1 TYR 37 -0.963 -9.586 -11.197 268 HE2 TYR 37 HE2 TYR 37 3.313 -9.400 -11.562 269 HH TYR 37 HH TYR 37 2.012 -11.220 -12.105 270 H LEU 38 HN LEU 38 3.391 -4.749 -7.023 271 HA LEU 38 HA LEU 38 5.637 -6.541 -7.629 272 HB2 LEU 38 HB2 LEU 38 5.354 -3.888 -7.878 273 HB3 LEU 38 HB1 LEU 38 5.918 -3.900 -6.225 274 HG LEU 38 HG LEU 38 7.855 -5.374 -7.078 275 HD11 LEU 38 HD11 LEU 38 6.701 -4.299 -9.666 276 HD12 LEU 38 HD12 LEU 38 7.104 -5.969 -9.275 277 HD13 LEU 38 HD13 LEU 38 8.385 -4.788 -9.513 278 HD21 LEU 38 HD21 LEU 38 9.035 -3.287 -7.916 279 HD22 LEU 38 HD22 LEU 38 8.216 -3.105 -6.365 280 HD23 LEU 38 HD23 LEU 38 7.476 -2.466 -7.832 281 H VAL 39 HN VAL 39 4.699 -4.606 -4.791 282 HA VAL 39 HA VAL 39 6.263 -5.857 -2.838 283 HB VAL 39 HB VAL 39 3.449 -4.741 -2.522 284 HG11 VAL 39 HG11 VAL 39 4.112 -4.304 -0.224 285 HG12 VAL 39 HG12 VAL 39 5.696 -5.019 -0.519 286 HG13 VAL 39 HG13 VAL 39 4.249 -6.026 -0.563 287 HG21 VAL 39 HG21 VAL 39 4.802 -3.065 -3.540 288 HG22 VAL 39 HG22 VAL 39 6.170 -3.441 -2.493 289 HG23 VAL 39 HG23 VAL 39 4.729 -2.689 -1.820 290 H CYS 40 HN CYS 40 2.837 -6.517 -3.525 291 HA CYS 40 HA CYS 40 2.767 -8.876 -1.894 292 HB2 CYS 40 HB2 CYS 40 0.875 -7.254 -2.833 293 HB3 CYS 40 HB1 CYS 40 0.793 -8.460 -4.111 294 H GLY 41 HN GLY 41 3.510 -8.343 -5.288 295 HA2 GLY 41 HA2 GLY 41 4.154 -9.876 -6.955 296 HA3 GLY 41 HA1 GLY 41 4.872 -10.775 -5.619 297 H GLU 42 HN GLU 42 4.193 -12.854 -5.702 298 HA GLU 42 HA GLU 42 1.615 -13.555 -6.904 299 HB2 GLU 42 HB2 GLU 42 3.469 -15.441 -5.465 300 HB3 GLU 42 HB1 GLU 42 2.345 -15.801 -6.774 301 HG2 GLU 42 HG2 GLU 42 3.719 -14.278 -8.251 302 HG3 GLU 42 HG1 GLU 42 4.906 -14.195 -6.949 303 H ARG 43 HN ARG 43 2.535 -12.588 -3.818 304 HA ARG 43 HA ARG 43 1.054 -14.380 -2.168 305 HB2 ARG 43 HB2 ARG 43 1.644 -11.445 -1.778 306 HB3 ARG 43 HB1 ARG 43 0.993 -12.494 -0.530 307 HG2 ARG 43 HG2 ARG 43 2.995 -13.912 -0.671 308 HG3 ARG 43 HG1 ARG 43 3.642 -12.879 -1.947 309 HD2 ARG 43 HD2 ARG 43 3.290 -10.942 -0.194 310 HD3 ARG 43 HD1 ARG 43 3.281 -12.266 0.977 311 HE ARG 43 HE ARG 43 5.539 -12.549 -0.763 312 HH11 ARG 43 HH11 ARG 43 7.568 -11.965 0.042 313 HH12 ARG 43 HH12 ARG 43 7.671 -10.935 1.430 314 HH21 ARG 43 HH21 ARG 43 4.235 -10.642 1.796 315 HH22 ARG 43 HH22 ARG 43 5.783 -10.187 2.425 316 H GLY 44 HN GLY 44 0.074 -11.522 -3.971 317 HA2 GLY 44 HA2 GLY 44 -2.145 -11.215 -4.872 318 HA3 GLY 44 HA1 GLY 44 -2.765 -12.363 -3.687 319 H TYR 45 HN TYR 45 -2.998 -9.235 -4.467 320 HA TYR 45 HA TYR 45 -3.234 -8.307 -1.627 321 HB2 TYR 45 HB2 TYR 45 -2.782 -6.029 -2.478 322 HB3 TYR 45 HB1 TYR 45 -1.445 -7.092 -2.839 323 HD1 TYR 45 HD1 TYR 45 -3.936 -4.908 -4.239 324 HD2 TYR 45 HD2 TYR 45 -1.367 -8.225 -5.100 325 HE1 TYR 45 HE1 TYR 45 -4.167 -4.451 -6.657 326 HE2 TYR 45 HE2 TYR 45 -1.602 -7.785 -7.532 327 HH TYR 45 HH TYR 45 -2.200 -5.507 -8.931 328 H PHE 46 HN PHE 46 -4.792 -6.289 -1.644 329 HA PHE 46 HA PHE 46 -7.170 -6.919 -3.369 330 HB2 PHE 46 HB2 PHE 46 -7.367 -5.934 -0.525 331 HB3 PHE 46 HB1 PHE 46 -8.627 -6.650 -1.525 332 HD1 PHE 46 HD1 PHE 46 -6.277 -7.313 1.032 333 HD2 PHE 46 HD2 PHE 46 -8.082 -9.079 -2.444 334 HE1 PHE 46 HE1 PHE 46 -5.687 -9.570 1.871 335 HE2 PHE 46 HE2 PHE 46 -7.493 -11.336 -1.604 336 HZ PHE 46 HZ PHE 46 -6.294 -11.582 0.554 337 H TYR 47 HN TYR 47 -7.582 -5.215 -4.616 338 HA TYR 47 HA TYR 47 -7.184 -2.450 -3.516 339 HB2 TYR 47 HB2 TYR 47 -5.394 -3.031 -5.145 340 HB3 TYR 47 HB1 TYR 47 -6.632 -3.374 -6.355 341 HD1 TYR 47 HD1 TYR 47 -5.098 -0.733 -4.271 342 HD2 TYR 47 HD2 TYR 47 -7.834 -1.602 -7.464 343 HE1 TYR 47 HE1 TYR 47 -5.219 1.670 -4.820 344 HE2 TYR 47 HE2 TYR 47 -7.949 0.814 -8.021 345 HH TYR 47 HH TYR 47 -7.571 2.969 -6.929 346 H THR 48 HN THR 48 -9.293 -1.797 -3.245 347 HA THR 48 HA THR 48 -10.995 -1.050 -5.319 348 HB THR 48 HB THR 48 -11.439 -3.229 -6.098 349 HG1 THR 48 HG1 THR 48 -13.534 -3.742 -5.030 350 HG21 THR 48 HG21 THR 48 -11.049 -3.973 -3.223 351 HG22 THR 48 HG22 THR 48 -10.470 -4.784 -4.680 352 HG23 THR 48 HG23 THR 48 -12.147 -4.968 -4.176 353 H LYS 49 HN LYS 49 -11.162 0.557 -3.592 354 HA LYS 49 HA LYS 49 -13.458 0.078 -1.871 355 HB2 LYS 49 HB2 LYS 49 -11.358 -0.828 -0.666 356 HB3 LYS 49 HB1 LYS 49 -10.887 0.864 -0.500 357 HG2 LYS 49 HG2 LYS 49 -13.099 1.327 0.549 358 HG3 LYS 49 HG1 LYS 49 -13.449 -0.398 0.489 359 HD2 LYS 49 HD2 LYS 49 -11.055 0.810 1.909 360 HD3 LYS 49 HD1 LYS 49 -12.555 0.351 2.714 361 HE2 LYS 49 HE2 LYS 49 -12.156 -1.984 1.607 362 HE3 LYS 49 HE1 LYS 49 -10.495 -1.422 1.412 363 HZ1 LYS 49 HZ1 LYS 49 -10.332 -2.302 3.471 364 HZ2 LYS 49 HZ2 LYS 49 -11.972 -2.063 3.843 365 HZ3 LYS 49 HZ3 LYS 49 -10.880 -0.764 3.927 366 HA PRO 50 HA PRO 50 -12.427 4.348 -3.960 367 HB2 PRO 50 HB2 PRO 50 -15.399 4.177 -3.910 368 HB3 PRO 50 HB1 PRO 50 -14.319 4.607 -5.248 369 HG2 PRO 50 HG2 PRO 50 -15.542 2.061 -4.696 370 HG3 PRO 50 HG1 PRO 50 -14.492 2.499 -6.054 371 HD2 PRO 50 HD2 PRO 50 -13.779 0.708 -4.074 372 HD3 PRO 50 HD1 PRO 50 -12.609 1.636 -5.037 373 H THR 51 HN THR 51 -11.862 5.668 -2.235 374 HA THR 51 HA THR 51 -13.976 6.793 -0.585 375 HB THR 51 HB THR 51 -13.504 4.629 0.591 376 HG1 THR 51 HG1 THR 51 -13.628 7.052 1.562 377 HG21 THR 51 HG21 THR 51 -11.044 4.667 -0.100 378 HG22 THR 51 HG22 THR 51 -11.372 4.204 1.569 379 HG23 THR 51 HG23 THR 51 -10.800 5.831 1.202 Start of MODEL 16 1 H1 GLY 1 HT1 GLY 1 -8.625 4.845 3.015 2 H2 GLY 1 HT2 GLY 1 -9.980 3.827 2.902 3 H3 GLY 1 HT3 GLY 1 -9.870 5.209 1.921 4 HA2 GLY 1 HA2 GLY 1 -9.042 2.526 1.362 5 HA3 GLY 1 HA1 GLY 1 -8.745 4.010 0.413 6 H ILE 2 HN ILE 2 -7.029 2.174 -0.035 7 HA ILE 2 HA ILE 2 -4.587 3.464 0.856 8 HB ILE 2 HB ILE 2 -4.698 1.063 0.203 9 HG12 ILE 2 HG12 ILE 2 -2.861 2.621 -1.637 10 HG13 ILE 2 HG11 ILE 2 -2.575 2.464 0.091 11 HG21 ILE 2 HG21 ILE 2 -4.972 2.136 -2.619 12 HG22 ILE 2 HG22 ILE 2 -6.283 1.401 -1.704 13 HG23 ILE 2 HG23 ILE 2 -4.870 0.443 -2.145 14 HD11 ILE 2 HD11 ILE 2 -3.029 -0.182 -0.812 15 HD12 ILE 2 HD12 ILE 2 -1.493 0.540 -0.350 16 HD13 ILE 2 HD13 ILE 2 -2.001 0.565 -2.031 17 H VAL 3 HN VAL 3 -6.614 3.645 -2.023 18 HA VAL 3 HA VAL 3 -4.938 5.118 -3.737 19 HB VAL 3 HB VAL 3 -7.897 5.631 -3.376 20 HG11 VAL 3 HG11 VAL 3 -6.614 7.034 -4.969 21 HG12 VAL 3 HG12 VAL 3 -7.807 6.018 -5.778 22 HG13 VAL 3 HG13 VAL 3 -6.101 5.571 -5.809 23 HG21 VAL 3 HG21 VAL 3 -8.115 3.715 -5.051 24 HG22 VAL 3 HG22 VAL 3 -7.716 3.250 -3.398 25 HG23 VAL 3 HG23 VAL 3 -6.457 3.287 -4.631 26 H GLU 4 HN GLU 4 -6.974 6.211 -1.068 27 HA GLU 4 HA GLU 4 -6.423 9.023 -1.570 28 HB2 GLU 4 HB2 GLU 4 -7.378 7.888 1.060 29 HB3 GLU 4 HB1 GLU 4 -7.737 9.461 0.345 30 HG2 GLU 4 HG2 GLU 4 -8.855 8.145 -1.568 31 HG3 GLU 4 HG1 GLU 4 -8.773 6.749 -0.491 32 H GLN 5 HN GLN 5 -4.869 6.490 0.273 33 HA GLN 5 HA GLN 5 -3.207 8.437 1.765 34 HB2 GLN 5 HB2 GLN 5 -3.987 6.432 2.931 35 HB3 GLN 5 HB1 GLN 5 -3.211 5.405 1.727 36 HG2 GLN 5 HG2 GLN 5 -1.040 6.019 2.419 37 HG3 GLN 5 HG1 GLN 5 -1.620 7.450 3.265 38 HE21 GLN 5 HE21 GLN 5 -3.747 4.903 3.871 39 HE22 GLN 5 HE22 GLN 5 -3.115 4.387 5.359 40 H CYS 6 HN CYS 6 -2.956 6.257 -0.976 41 HA CYS 6 HA CYS 6 -0.039 6.641 -1.170 42 HB2 CYS 6 HB2 CYS 6 -2.096 4.956 -2.561 43 HB3 CYS 6 HB1 CYS 6 -0.500 5.151 -3.267 44 H CYS 7 HN CYS 7 -2.991 7.709 -2.814 45 HA CYS 7 HA CYS 7 -1.376 9.010 -4.939 46 HB2 CYS 7 HB2 CYS 7 -3.562 7.748 -5.371 47 HB3 CYS 7 HB1 CYS 7 -4.378 9.108 -4.625 48 H THR 8 HN THR 8 -4.077 10.123 -2.852 49 HA THR 8 HA THR 8 -3.527 12.873 -3.193 50 HB THR 8 HB THR 8 -4.599 11.714 -0.616 51 HG1 THR 8 HG1 THR 8 -6.438 11.202 -1.598 52 HG21 THR 8 HG21 THR 8 -4.296 14.171 -0.917 53 HG22 THR 8 HG22 THR 8 -5.972 13.693 -0.645 54 HG23 THR 8 HG23 THR 8 -5.422 14.097 -2.272 55 H SER 9 HN SER 9 -1.684 10.487 -1.772 56 HA SER 9 HA SER 9 0.167 12.459 -0.629 57 HB2 SER 9 HB2 SER 9 -1.384 11.978 1.230 58 HB3 SER 9 HB1 SER 9 -1.032 10.270 1.084 59 HG SER 9 HG SER 9 1.217 11.790 1.213 60 H ILE 10 HN ILE 10 1.430 10.340 0.944 61 HA ILE 10 HA ILE 10 2.446 8.522 -1.204 62 HB ILE 10 HB ILE 10 3.983 10.014 0.927 63 HG12 ILE 10 HG12 ILE 10 4.019 10.413 -2.075 64 HG13 ILE 10 HG11 ILE 10 3.149 11.424 -0.942 65 HG21 ILE 10 HG21 ILE 10 4.995 7.834 0.385 66 HG22 ILE 10 HG22 ILE 10 5.978 9.134 -0.284 67 HG23 ILE 10 HG23 ILE 10 4.910 8.209 -1.336 68 HD11 ILE 10 HD11 ILE 10 5.001 12.627 -0.590 69 HD12 ILE 10 HD12 ILE 10 5.919 11.552 -1.643 70 HD13 ILE 10 HD13 ILE 10 5.796 11.204 0.076 71 H CYS 11 HN CYS 11 2.925 6.404 -0.426 72 HA CYS 11 HA CYS 11 2.193 5.880 2.446 73 HB2 CYS 11 HB2 CYS 11 1.829 3.451 1.309 74 HB3 CYS 11 HB1 CYS 11 0.552 4.658 1.374 75 H SER 12 HN SER 12 3.364 4.216 3.524 76 HA SER 12 HA SER 12 6.158 3.906 2.529 77 HB2 SER 12 HB2 SER 12 4.875 3.589 5.249 78 HB3 SER 12 HB1 SER 12 6.519 3.057 4.913 79 HG SER 12 HG SER 12 5.541 5.559 5.324 80 H LEU 13 HN LEU 13 7.087 1.813 2.397 81 HA LEU 13 HA LEU 13 5.629 -0.240 1.291 82 HB2 LEU 13 HB2 LEU 13 8.245 0.122 1.960 83 HB3 LEU 13 HB1 LEU 13 7.818 -1.098 3.149 84 HG LEU 13 HG LEU 13 6.950 -2.540 1.307 85 HD11 LEU 13 HD11 LEU 13 8.074 -1.625 -1.017 86 HD12 LEU 13 HD12 LEU 13 7.581 -0.102 -0.279 87 HD13 LEU 13 HD13 LEU 13 6.392 -1.366 -0.573 88 HD21 LEU 13 HD21 LEU 13 9.816 -1.566 1.159 89 HD22 LEU 13 HD22 LEU 13 9.243 -3.013 0.329 90 HD23 LEU 13 HD23 LEU 13 9.195 -2.929 2.090 91 H TYR 14 HN TYR 14 5.982 0.454 4.747 92 HA TYR 14 HA TYR 14 4.861 -2.045 5.630 93 HB2 TYR 14 HB2 TYR 14 5.297 -1.183 7.691 94 HB3 TYR 14 HB1 TYR 14 5.909 0.245 6.869 95 HD1 TYR 14 HD1 TYR 14 4.863 2.310 7.215 96 HD2 TYR 14 HD2 TYR 14 2.742 -1.284 8.120 97 HE1 TYR 14 HE1 TYR 14 3.045 3.657 8.239 98 HE2 TYR 14 HE2 TYR 14 0.916 0.039 9.146 99 HH TYR 14 HH TYR 14 0.690 2.339 10.215 100 H GLN 15 HN GLN 15 3.422 0.993 4.574 101 HA GLN 15 HA GLN 15 0.728 0.176 5.329 102 HB2 GLN 15 HB2 GLN 15 1.520 2.343 3.355 103 HB3 GLN 15 HB1 GLN 15 0.009 2.200 4.243 104 HG2 GLN 15 HG2 GLN 15 1.154 2.587 6.351 105 HG3 GLN 15 HG1 GLN 15 2.715 2.607 5.529 106 HE21 GLN 15 HE21 GLN 15 0.532 3.998 3.434 107 HE22 GLN 15 HE22 GLN 15 0.764 5.627 3.837 108 H LEU 16 HN LEU 16 2.823 0.001 2.524 109 HA LEU 16 HA LEU 16 0.748 -0.784 0.671 110 HB2 LEU 16 HB2 LEU 16 3.238 0.202 0.358 111 HB3 LEU 16 HB1 LEU 16 3.631 -1.502 0.228 112 HG LEU 16 HG LEU 16 1.981 -1.742 -1.585 113 HD11 LEU 16 HD11 LEU 16 1.388 0.778 -2.495 114 HD12 LEU 16 HD12 LEU 16 1.280 1.005 -0.750 115 HD13 LEU 16 HD13 LEU 16 0.306 -0.227 -1.545 116 HD21 LEU 16 HD21 LEU 16 3.609 -1.214 -3.038 117 HD22 LEU 16 HD22 LEU 16 4.485 -0.450 -1.712 118 HD23 LEU 16 HD23 LEU 16 3.427 0.507 -2.739 119 H GLU 17 HN GLU 17 3.349 -2.528 2.381 120 HA GLU 17 HA GLU 17 2.622 -5.141 1.480 121 HB2 GLU 17 HB2 GLU 17 3.832 -4.333 4.152 122 HB3 GLU 17 HB1 GLU 17 3.864 -5.955 3.460 123 HG2 GLU 17 HG2 GLU 17 5.394 -5.365 1.795 124 HG3 GLU 17 HG1 GLU 17 4.977 -3.652 1.872 125 H ASN 18 HN ASN 18 1.346 -2.992 3.850 126 HA ASN 18 HA ASN 18 -0.121 -4.795 5.487 127 HB2 ASN 18 HB2 ASN 18 0.005 -1.917 4.958 128 HB3 ASN 18 HB1 ASN 18 -1.591 -2.411 5.437 129 HD21 ASN 18 HD21 ASN 18 0.692 -0.902 6.868 130 HD22 ASN 18 HD22 ASN 18 0.770 -1.713 8.348 131 H TYR 19 HN TYR 19 -0.940 -3.339 2.327 132 HA TYR 19 HA TYR 19 -3.674 -4.450 2.436 133 HB2 TYR 19 HB2 TYR 19 -2.126 -3.093 0.212 134 HB3 TYR 19 HB1 TYR 19 -3.804 -3.622 0.076 135 HD1 TYR 19 HD1 TYR 19 -5.532 -2.674 1.685 136 HD2 TYR 19 HD2 TYR 19 -1.572 -1.076 1.302 137 HE1 TYR 19 HE1 TYR 19 -6.275 -0.578 2.790 138 HE2 TYR 19 HE2 TYR 19 -2.306 1.022 2.411 139 HH TYR 19 HH TYR 19 -5.651 1.701 3.012 140 H CYS 20 HN CYS 20 -0.652 -5.723 1.883 141 HA CYS 20 HA CYS 20 -1.605 -7.708 -0.114 142 HB2 CYS 20 HB2 CYS 20 0.518 -6.801 -0.696 143 HB3 CYS 20 HB1 CYS 20 1.133 -7.019 0.945 144 H ASN 21 HN ASN 21 -1.639 -9.917 0.371 145 HA ASN 21 HA ASN 21 -2.127 -10.592 3.137 146 HB2 ASN 21 HB2 ASN 21 -2.140 -12.972 2.087 147 HB3 ASN 21 HB1 ASN 21 -3.388 -11.839 1.587 148 HD21 ASN 21 HD21 ASN 21 -3.412 -13.265 -0.437 149 HD22 ASN 21 HD22 ASN 21 -2.282 -12.927 -1.656 150 H1 PHE 22 HT1 PHE 22 11.858 0.449 0.430 151 H2 PHE 22 HT2 PHE 22 11.776 2.024 1.063 152 H3 PHE 22 HT3 PHE 22 13.067 1.577 0.053 153 HA PHE 22 HA PHE 22 11.737 1.499 -1.847 154 HB2 PHE 22 HB2 PHE 22 9.848 0.417 -0.306 155 HB3 PHE 22 HB1 PHE 22 9.220 2.062 -0.289 156 HD1 PHE 22 HD1 PHE 22 8.054 2.942 -2.179 157 HD2 PHE 22 HD2 PHE 22 10.287 -0.712 -2.541 158 HE1 PHE 22 HE1 PHE 22 7.081 2.569 -4.428 159 HE2 PHE 22 HE2 PHE 22 9.314 -1.082 -4.792 160 HZ PHE 22 HZ PHE 22 7.711 0.558 -5.735 161 H VAL 23 HN VAL 23 10.857 3.433 -2.955 162 HA VAL 23 HA VAL 23 11.802 5.886 -1.658 163 HB VAL 23 HB VAL 23 12.157 5.407 -4.097 164 HG11 VAL 23 HG11 VAL 23 9.798 4.426 -4.344 165 HG12 VAL 23 HG12 VAL 23 10.331 5.504 -5.634 166 HG13 VAL 23 HG13 VAL 23 9.224 6.093 -4.394 167 HG21 VAL 23 HG21 VAL 23 12.127 7.730 -3.074 168 HG22 VAL 23 HG22 VAL 23 10.453 7.868 -3.611 169 HG23 VAL 23 HG23 VAL 23 11.746 7.681 -4.795 170 H ASN 24 HN ASN 24 10.473 7.777 -1.364 171 HA ASN 24 HA ASN 24 7.632 7.113 -0.719 172 HB2 ASN 24 HB2 ASN 24 8.178 9.730 0.187 173 HB3 ASN 24 HB1 ASN 24 8.138 8.278 1.179 174 HD21 ASN 24 HD21 ASN 24 10.035 7.914 2.321 175 HD22 ASN 24 HD22 ASN 24 11.574 8.467 1.864 176 H GLN 25 HN GLN 25 6.771 7.263 -2.825 177 HA GLN 25 HA GLN 25 6.649 10.038 -3.939 178 HB2 GLN 25 HB2 GLN 25 8.220 8.766 -5.308 179 HB3 GLN 25 HB1 GLN 25 7.062 7.451 -5.465 180 HG2 GLN 25 HG2 GLN 25 5.848 9.980 -6.320 181 HG3 GLN 25 HG1 GLN 25 7.337 9.674 -7.202 182 HE21 GLN 25 HE21 GLN 25 7.465 7.096 -7.767 183 HE22 GLN 25 HE22 GLN 25 6.071 6.524 -8.537 184 H HIS 26 HN HIS 26 4.647 10.635 -4.721 185 HA HIS 26 HA HIS 26 2.351 9.212 -3.775 186 HB2 HIS 26 HB2 HIS 26 2.341 11.321 -5.934 187 HB3 HIS 26 HB1 HIS 26 1.105 10.986 -4.726 188 HD1 HIS 26 HD1 HIS 26 4.820 11.929 -4.675 189 HD2 HIS 26 HD2 HIS 26 1.308 12.627 -2.621 190 HE1 HIS 26 HE1 HIS 26 5.387 13.503 -2.767 191 HE2 HIS 26 HE2 HIS 26 3.225 14.030 -1.584 192 H LEU 27 HN LEU 27 1.796 7.277 -4.658 193 HA LEU 27 HA LEU 27 2.139 6.824 -7.566 194 HB2 LEU 27 HB2 LEU 27 0.974 4.905 -5.556 195 HB3 LEU 27 HB1 LEU 27 1.709 4.541 -7.102 196 HG LEU 27 HG LEU 27 3.288 5.828 -4.867 197 HD11 LEU 27 HD11 LEU 27 2.344 3.679 -4.080 198 HD12 LEU 27 HD12 LEU 27 4.095 3.599 -4.285 199 HD13 LEU 27 HD13 LEU 27 3.030 2.880 -5.494 200 HD21 LEU 27 HD21 LEU 27 4.265 5.982 -7.094 201 HD22 LEU 27 HD22 LEU 27 4.007 4.258 -7.358 202 HD23 LEU 27 HD23 LEU 27 5.168 4.801 -6.148 203 H CYS 28 HN CYS 28 0.380 6.331 -8.906 204 HA CYS 28 HA CYS 28 -2.360 6.392 -7.874 205 HB2 CYS 28 HB2 CYS 28 -1.424 8.515 -9.832 206 HB3 CYS 28 HB1 CYS 28 -3.061 8.300 -9.227 207 H GLY 29 HN GLY 29 -3.829 6.426 -10.095 208 HA2 GLY 29 HA2 GLY 29 -4.388 5.056 -11.934 209 HA3 GLY 29 HA1 GLY 29 -2.770 5.450 -12.511 210 H SER 30 HN SER 30 -2.212 3.396 -13.253 211 HA SER 30 HA SER 30 -2.591 1.039 -11.569 212 HB2 SER 30 HB2 SER 30 -0.759 1.132 -13.959 213 HB3 SER 30 HB1 SER 30 -1.728 -0.212 -13.353 214 HG SER 30 HG SER 30 -3.350 0.502 -14.478 215 H ASP 31 HN ASP 31 -0.157 3.476 -11.886 216 HA ASP 31 HA ASP 31 2.233 2.172 -11.236 217 HB2 ASP 31 HB2 ASP 31 1.303 4.713 -9.862 218 HB3 ASP 31 HB1 ASP 31 2.961 4.225 -10.198 219 H LEU 32 HN LEU 32 -0.094 3.484 -8.891 220 HA LEU 32 HA LEU 32 0.952 2.442 -6.518 221 HB2 LEU 32 HB2 LEU 32 -0.950 3.937 -6.522 222 HB3 LEU 32 HB1 LEU 32 -1.913 2.788 -7.446 223 HG LEU 32 HG LEU 32 -1.993 1.254 -5.588 224 HD11 LEU 32 HD11 LEU 32 0.063 3.125 -4.407 225 HD12 LEU 32 HD12 LEU 32 0.150 1.376 -4.589 226 HD13 LEU 32 HD13 LEU 32 -0.912 2.086 -3.378 227 HD21 LEU 32 HD21 LEU 32 -2.426 4.101 -4.660 228 HD22 LEU 32 HD22 LEU 32 -3.160 2.669 -3.948 229 HD23 LEU 32 HD23 LEU 32 -3.571 3.150 -5.594 230 H VAL 33 HN VAL 33 -1.520 0.871 -8.595 231 HA VAL 33 HA VAL 33 -1.657 -1.595 -7.249 232 HB VAL 33 HB VAL 33 -1.872 -0.901 -10.186 233 HG11 VAL 33 HG11 VAL 33 -1.998 -3.599 -8.834 234 HG12 VAL 33 HG12 VAL 33 -1.184 -3.153 -10.332 235 HG13 VAL 33 HG13 VAL 33 -2.941 -3.285 -10.293 236 HG21 VAL 33 HG21 VAL 33 -3.616 -0.173 -8.519 237 HG22 VAL 33 HG22 VAL 33 -3.937 -1.879 -8.206 238 HG23 VAL 33 HG23 VAL 33 -4.227 -1.206 -9.811 239 H GLU 34 HN GLU 34 0.328 -0.844 -10.093 240 HA GLU 34 HA GLU 34 1.797 -3.120 -10.340 241 HB2 GLU 34 HB2 GLU 34 2.396 -0.231 -10.753 242 HB3 GLU 34 HB1 GLU 34 3.750 -1.345 -10.858 243 HG2 GLU 34 HG2 GLU 34 2.502 -2.676 -12.539 244 HG3 GLU 34 HG1 GLU 34 1.182 -1.510 -12.459 245 H ALA 35 HN ALA 35 2.353 -0.515 -7.997 246 HA ALA 35 HA ALA 35 4.723 -1.560 -6.825 247 HB1 ALA 35 HB1 ALA 35 2.532 -0.211 -5.239 248 HB2 ALA 35 HB2 ALA 35 3.528 0.697 -6.376 249 HB3 ALA 35 HB3 ALA 35 4.276 -0.111 -4.998 250 H LEU 36 HN LEU 36 1.346 -1.950 -5.637 251 HA LEU 36 HA LEU 36 1.904 -3.972 -3.765 252 HB2 LEU 36 HB2 LEU 36 -0.512 -3.659 -5.565 253 HB3 LEU 36 HB1 LEU 36 -0.446 -4.772 -4.200 254 HG LEU 36 HG LEU 36 0.196 -1.850 -3.777 255 HD11 LEU 36 HD11 LEU 36 -2.138 -1.393 -3.317 256 HD12 LEU 36 HD12 LEU 36 -2.573 -3.063 -3.659 257 HD13 LEU 36 HD13 LEU 36 -2.012 -2.015 -4.961 258 HD21 LEU 36 HD21 LEU 36 -0.611 -2.351 -1.523 259 HD22 LEU 36 HD22 LEU 36 0.601 -3.541 -1.975 260 HD23 LEU 36 HD23 LEU 36 -1.104 -3.960 -2.031 261 H TYR 37 HN TYR 37 1.122 -4.275 -7.220 262 HA TYR 37 HA TYR 37 1.317 -7.089 -7.423 263 HB2 TYR 37 HB2 TYR 37 0.646 -5.335 -9.220 264 HB3 TYR 37 HB1 TYR 37 2.365 -5.195 -9.536 265 HD1 TYR 37 HD1 TYR 37 -0.586 -7.339 -9.817 266 HD2 TYR 37 HD2 TYR 37 3.666 -7.120 -10.389 267 HE1 TYR 37 HE1 TYR 37 -0.667 -9.391 -11.208 268 HE2 TYR 37 HE2 TYR 37 3.585 -9.171 -11.780 269 HH TYR 37 HH TYR 37 2.249 -10.636 -12.814 270 H LEU 38 HN LEU 38 3.701 -4.617 -6.970 271 HA LEU 38 HA LEU 38 5.998 -6.345 -7.578 272 HB2 LEU 38 HB2 LEU 38 5.682 -3.702 -7.775 273 HB3 LEU 38 HB1 LEU 38 6.166 -3.734 -6.094 274 HG LEU 38 HG LEU 38 8.164 -5.183 -6.917 275 HD11 LEU 38 HD11 LEU 38 8.835 -4.545 -9.252 276 HD12 LEU 38 HD12 LEU 38 7.233 -3.850 -9.480 277 HD13 LEU 38 HD13 LEU 38 7.413 -5.581 -9.202 278 HD21 LEU 38 HD21 LEU 38 9.378 -3.048 -7.523 279 HD22 LEU 38 HD22 LEU 38 8.444 -2.952 -6.029 280 HD23 LEU 38 HD23 LEU 38 7.814 -2.233 -7.512 281 H VAL 39 HN VAL 39 4.950 -4.521 -4.707 282 HA VAL 39 HA VAL 39 6.494 -5.810 -2.758 283 HB VAL 39 HB VAL 39 3.658 -4.752 -2.444 284 HG11 VAL 39 HG11 VAL 39 5.894 -4.769 -0.417 285 HG12 VAL 39 HG12 VAL 39 4.697 -6.061 -0.517 286 HG13 VAL 39 HG13 VAL 39 4.188 -4.414 -0.159 287 HG21 VAL 39 HG21 VAL 39 4.877 -2.659 -1.767 288 HG22 VAL 39 HG22 VAL 39 4.948 -3.040 -3.486 289 HG23 VAL 39 HG23 VAL 39 6.336 -3.364 -2.448 290 H CYS 40 HN CYS 40 3.083 -6.475 -3.523 291 HA CYS 40 HA CYS 40 3.004 -8.885 -1.972 292 HB2 CYS 40 HB2 CYS 40 1.115 -7.250 -2.913 293 HB3 CYS 40 HB1 CYS 40 1.067 -8.436 -4.211 294 H GLY 41 HN GLY 41 3.837 -8.244 -5.322 295 HA2 GLY 41 HA2 GLY 41 4.587 -9.712 -7.003 296 HA3 GLY 41 HA1 GLY 41 5.169 -10.712 -5.672 297 H GLU 42 HN GLU 42 4.465 -12.756 -6.122 298 HA GLU 42 HA GLU 42 1.855 -13.212 -7.380 299 HB2 GLU 42 HB2 GLU 42 2.513 -15.652 -7.041 300 HB3 GLU 42 HB1 GLU 42 3.599 -14.703 -8.055 301 HG2 GLU 42 HG2 GLU 42 5.167 -14.421 -6.252 302 HG3 GLU 42 HG1 GLU 42 4.033 -15.104 -5.085 303 H ARG 43 HN ARG 43 2.833 -12.623 -4.236 304 HA ARG 43 HA ARG 43 1.383 -14.514 -2.705 305 HB2 ARG 43 HB2 ARG 43 1.750 -11.580 -2.104 306 HB3 ARG 43 HB1 ARG 43 1.362 -12.827 -0.930 307 HG2 ARG 43 HG2 ARG 43 3.498 -13.908 -1.295 308 HG3 ARG 43 HG1 ARG 43 3.873 -12.808 -2.621 309 HD2 ARG 43 HD2 ARG 43 3.566 -10.914 -0.847 310 HD3 ARG 43 HD1 ARG 43 3.746 -12.217 0.333 311 HE ARG 43 HE ARG 43 5.895 -12.572 -1.370 312 HH11 ARG 43 HH11 ARG 43 7.898 -11.576 -1.036 313 HH12 ARG 43 HH12 ARG 43 7.979 -10.110 -0.118 314 HH21 ARG 43 HH21 ARG 43 4.563 -9.979 0.469 315 HH22 ARG 43 HH22 ARG 43 6.090 -9.204 0.733 316 H GLY 44 HN GLY 44 0.338 -11.468 -4.151 317 HA2 GLY 44 HA2 GLY 44 -1.893 -11.215 -5.112 318 HA3 GLY 44 HA1 GLY 44 -2.497 -12.402 -3.959 319 H TYR 45 HN TYR 45 -2.783 -9.271 -4.631 320 HA TYR 45 HA TYR 45 -2.986 -8.433 -1.761 321 HB2 TYR 45 HB2 TYR 45 -2.573 -6.114 -2.566 322 HB3 TYR 45 HB1 TYR 45 -1.209 -7.154 -2.896 323 HD1 TYR 45 HD1 TYR 45 -3.668 -4.973 -4.348 324 HD2 TYR 45 HD2 TYR 45 -1.064 -8.271 -5.171 325 HE1 TYR 45 HE1 TYR 45 -3.828 -4.486 -6.765 326 HE2 TYR 45 HE2 TYR 45 -1.226 -7.800 -7.604 327 HH TYR 45 HH TYR 45 -2.219 -6.572 -9.170 328 H PHE 46 HN PHE 46 -4.566 -6.425 -1.705 329 HA PHE 46 HA PHE 46 -6.953 -7.077 -3.417 330 HB2 PHE 46 HB2 PHE 46 -7.204 -5.931 -0.648 331 HB3 PHE 46 HB1 PHE 46 -8.376 -6.862 -1.575 332 HD1 PHE 46 HD1 PHE 46 -6.536 -7.124 1.257 333 HD2 PHE 46 HD2 PHE 46 -7.052 -9.217 -2.460 334 HE1 PHE 46 HE1 PHE 46 -5.747 -9.218 2.326 335 HE2 PHE 46 HE2 PHE 46 -6.262 -11.310 -1.390 336 HZ PHE 46 HZ PHE 46 -5.610 -11.311 1.003 337 H TYR 47 HN TYR 47 -7.215 -5.432 -4.786 338 HA TYR 47 HA TYR 47 -6.989 -2.626 -3.752 339 HB2 TYR 47 HB2 TYR 47 -5.026 -3.217 -5.188 340 HB3 TYR 47 HB1 TYR 47 -6.142 -3.578 -6.507 341 HD1 TYR 47 HD1 TYR 47 -4.853 -0.900 -4.290 342 HD2 TYR 47 HD2 TYR 47 -7.241 -1.828 -7.739 343 HE1 TYR 47 HE1 TYR 47 -4.964 1.495 -4.858 344 HE2 TYR 47 HE2 TYR 47 -7.341 0.583 -8.315 345 HH TYR 47 HH TYR 47 -6.228 2.619 -7.899 346 H THR 48 HN THR 48 -9.131 -2.034 -3.715 347 HA THR 48 HA THR 48 -10.629 -1.427 -5.984 348 HB THR 48 HB THR 48 -10.954 -3.619 -6.726 349 HG1 THR 48 HG1 THR 48 -12.961 -2.696 -6.392 350 HG21 THR 48 HG21 THR 48 -10.655 -4.294 -3.833 351 HG22 THR 48 HG22 THR 48 -10.025 -5.133 -5.252 352 HG23 THR 48 HG23 THR 48 -11.708 -5.343 -4.778 353 H LYS 49 HN LYS 49 -10.791 0.175 -4.157 354 HA LYS 49 HA LYS 49 -13.282 -0.317 -2.622 355 HB2 LYS 49 HB2 LYS 49 -11.149 -0.790 -1.235 356 HB3 LYS 49 HB1 LYS 49 -10.873 0.950 -1.313 357 HG2 LYS 49 HG2 LYS 49 -13.060 1.370 -0.311 358 HG3 LYS 49 HG1 LYS 49 -13.399 -0.360 -0.287 359 HD2 LYS 49 HD2 LYS 49 -11.265 -0.599 1.121 360 HD3 LYS 49 HD1 LYS 49 -11.330 1.154 1.314 361 HE2 LYS 49 HE2 LYS 49 -13.262 -0.928 2.307 362 HE3 LYS 49 HE1 LYS 49 -12.528 0.412 3.187 363 HZ1 LYS 49 HZ1 LYS 49 -13.909 1.953 2.113 364 HZ2 LYS 49 HZ2 LYS 49 -14.937 0.672 2.547 365 HZ3 LYS 49 HZ3 LYS 49 -14.408 0.834 0.940 366 HA PRO 50 HA PRO 50 -12.631 3.707 -5.271 367 HB2 PRO 50 HB2 PRO 50 -15.562 3.196 -5.320 368 HB3 PRO 50 HB1 PRO 50 -14.459 3.555 -6.661 369 HG2 PRO 50 HG2 PRO 50 -15.427 0.989 -5.788 370 HG3 PRO 50 HG1 PRO 50 -14.356 1.348 -7.153 371 HD2 PRO 50 HD2 PRO 50 -13.567 -0.047 -4.902 372 HD3 PRO 50 HD1 PRO 50 -12.451 0.860 -5.947 373 H THR 51 HN THR 51 -12.190 5.103 -3.512 374 HA THR 51 HA THR 51 -14.502 6.385 -2.290 375 HB THR 51 HB THR 51 -14.160 4.350 -0.845 376 HG1 THR 51 HG1 THR 51 -14.882 5.617 0.639 377 HG21 THR 51 HG21 THR 51 -11.603 4.469 -1.179 378 HG22 THR 51 HG22 THR 51 -12.190 4.073 0.436 379 HG23 THR 51 HG23 THR 51 -11.628 5.705 0.077 Start of MODEL 17 1 H1 GLY 1 HT1 GLY 1 -8.959 2.948 4.035 2 H2 GLY 1 HT2 GLY 1 -9.495 4.457 3.468 3 H3 GLY 1 HT3 GLY 1 -7.901 4.275 4.026 4 HA2 GLY 1 HA2 GLY 1 -8.785 2.449 1.820 5 HA3 GLY 1 HA1 GLY 1 -8.397 4.161 1.486 6 H ILE 2 HN ILE 2 -6.878 2.166 0.396 7 HA ILE 2 HA ILE 2 -4.288 3.260 1.199 8 HB ILE 2 HB ILE 2 -4.563 0.920 0.386 9 HG12 ILE 2 HG12 ILE 2 -2.841 2.512 -1.525 10 HG13 ILE 2 HG11 ILE 2 -2.411 2.294 0.167 11 HG21 ILE 2 HG21 ILE 2 -6.294 1.514 -1.348 12 HG22 ILE 2 HG22 ILE 2 -5.004 0.469 -1.943 13 HG23 ILE 2 HG23 ILE 2 -4.994 2.187 -2.325 14 HD11 ILE 2 HD11 ILE 2 -1.552 0.272 -0.292 15 HD12 ILE 2 HD12 ILE 2 -1.918 0.509 -1.992 16 HD13 ILE 2 HD13 ILE 2 -3.087 -0.289 -0.948 17 H VAL 3 HN VAL 3 -6.525 3.668 -1.513 18 HA VAL 3 HA VAL 3 -4.983 5.203 -3.262 19 HB VAL 3 HB VAL 3 -7.847 5.861 -2.548 20 HG11 VAL 3 HG11 VAL 3 -6.660 7.290 -4.185 21 HG12 VAL 3 HG12 VAL 3 -7.985 6.390 -4.925 22 HG13 VAL 3 HG13 VAL 3 -6.318 5.860 -5.158 23 HG21 VAL 3 HG21 VAL 3 -7.844 3.484 -2.730 24 HG22 VAL 3 HG22 VAL 3 -6.705 3.515 -4.077 25 HG23 VAL 3 HG23 VAL 3 -8.361 4.076 -4.309 26 H GLU 4 HN GLU 4 -6.665 6.219 -0.328 27 HA GLU 4 HA GLU 4 -5.964 9.021 -0.690 28 HB2 GLU 4 HB2 GLU 4 -6.786 7.758 1.927 29 HB3 GLU 4 HB1 GLU 4 -7.087 9.400 1.357 30 HG2 GLU 4 HG2 GLU 4 -8.453 8.328 -0.533 31 HG3 GLU 4 HG1 GLU 4 -8.369 6.835 0.403 32 H GLN 5 HN GLN 5 -4.440 6.254 0.789 33 HA GLN 5 HA GLN 5 -2.538 7.947 2.303 34 HB2 GLN 5 HB2 GLN 5 -2.808 4.943 1.996 35 HB3 GLN 5 HB1 GLN 5 -1.574 5.730 2.981 36 HG2 GLN 5 HG2 GLN 5 -3.445 6.914 4.205 37 HG3 GLN 5 HG1 GLN 5 -4.574 5.867 3.348 38 HE21 GLN 5 HE21 GLN 5 -1.814 4.055 3.733 39 HE22 GLN 5 HE22 GLN 5 -2.194 3.268 5.188 40 H CYS 6 HN CYS 6 -2.734 6.279 -0.747 41 HA CYS 6 HA CYS 6 0.207 6.513 -1.151 42 HB2 CYS 6 HB2 CYS 6 -1.994 4.970 -2.498 43 HB3 CYS 6 HB1 CYS 6 -0.406 5.131 -3.225 44 H CYS 7 HN CYS 7 -2.886 7.700 -2.402 45 HA CYS 7 HA CYS 7 -1.449 9.177 -4.557 46 HB2 CYS 7 HB2 CYS 7 -3.624 7.853 -4.941 47 HB3 CYS 7 HB1 CYS 7 -4.430 9.156 -4.085 48 H THR 8 HN THR 8 -4.103 10.041 -2.303 49 HA THR 8 HA THR 8 -3.627 12.829 -2.406 50 HB THR 8 HB THR 8 -4.574 11.340 0.053 51 HG1 THR 8 HG1 THR 8 -5.559 11.188 -2.410 52 HG21 THR 8 HG21 THR 8 -5.227 14.015 -1.184 53 HG22 THR 8 HG22 THR 8 -4.318 13.728 0.300 54 HG23 THR 8 HG23 THR 8 -6.037 13.340 0.229 55 H SER 9 HN SER 9 -1.755 10.335 -1.210 56 HA SER 9 HA SER 9 0.162 12.174 0.003 57 HB2 SER 9 HB2 SER 9 -0.897 9.983 1.774 58 HB3 SER 9 HB1 SER 9 -0.060 11.463 2.226 59 HG SER 9 HG SER 9 -2.583 11.118 2.298 60 H ILE 10 HN ILE 10 1.923 10.512 1.135 61 HA ILE 10 HA ILE 10 2.440 8.418 -0.952 62 HB ILE 10 HB ILE 10 4.385 9.707 0.982 63 HG12 ILE 10 HG12 ILE 10 3.901 10.297 -1.949 64 HG13 ILE 10 HG11 ILE 10 3.408 11.319 -0.613 65 HG21 ILE 10 HG21 ILE 10 5.014 8.255 -1.592 66 HG22 ILE 10 HG22 ILE 10 4.872 7.384 -0.066 67 HG23 ILE 10 HG23 ILE 10 6.091 8.636 -0.252 68 HD11 ILE 10 HD11 ILE 10 5.917 11.307 -1.917 69 HD12 ILE 10 HD12 ILE 10 6.201 10.687 -0.294 70 HD13 ILE 10 HD13 ILE 10 5.439 12.258 -0.513 71 H CYS 11 HN CYS 11 2.657 6.300 -0.317 72 HA CYS 11 HA CYS 11 2.140 5.695 2.569 73 HB2 CYS 11 HB2 CYS 11 1.727 3.319 1.442 74 HB3 CYS 11 HB1 CYS 11 0.485 4.563 1.385 75 H SER 12 HN SER 12 3.329 3.943 3.554 76 HA SER 12 HA SER 12 6.121 3.723 2.523 77 HB2 SER 12 HB2 SER 12 4.886 3.212 5.238 78 HB3 SER 12 HB1 SER 12 6.552 2.798 4.845 79 HG SER 12 HG SER 12 5.311 5.348 4.847 80 H LEU 13 HN LEU 13 7.065 1.665 2.234 81 HA LEU 13 HA LEU 13 5.626 -0.361 1.070 82 HB2 LEU 13 HB2 LEU 13 8.244 0.017 1.672 83 HB3 LEU 13 HB1 LEU 13 7.880 -1.238 2.844 84 HG LEU 13 HG LEU 13 6.965 -2.645 0.989 85 HD11 LEU 13 HD11 LEU 13 7.597 -0.175 -0.563 86 HD12 LEU 13 HD12 LEU 13 6.359 -1.399 -0.841 87 HD13 LEU 13 HD13 LEU 13 8.017 -1.704 -1.338 88 HD21 LEU 13 HD21 LEU 13 9.234 -3.019 1.734 89 HD22 LEU 13 HD22 LEU 13 9.822 -1.653 0.785 90 HD23 LEU 13 HD23 LEU 13 9.232 -3.103 -0.027 91 H TYR 14 HN TYR 14 6.066 0.152 4.549 92 HA TYR 14 HA TYR 14 4.998 -2.406 5.324 93 HB2 TYR 14 HB2 TYR 14 5.477 -1.653 7.418 94 HB3 TYR 14 HB1 TYR 14 6.053 -0.175 6.659 95 HD1 TYR 14 HD1 TYR 14 5.000 1.856 7.150 96 HD2 TYR 14 HD2 TYR 14 2.932 -1.805 7.901 97 HE1 TYR 14 HE1 TYR 14 3.196 3.124 8.293 98 HE2 TYR 14 HE2 TYR 14 1.122 -0.560 9.044 99 HH TYR 14 HH TYR 14 0.817 2.827 8.841 100 H GLN 15 HN GLN 15 3.497 0.667 4.477 101 HA GLN 15 HA GLN 15 0.833 -0.226 5.251 102 HB2 GLN 15 HB2 GLN 15 1.554 2.057 3.387 103 HB3 GLN 15 HB1 GLN 15 0.064 1.847 4.297 104 HG2 GLN 15 HG2 GLN 15 1.245 2.141 6.397 105 HG3 GLN 15 HG1 GLN 15 2.791 2.207 5.551 106 HE21 GLN 15 HE21 GLN 15 0.642 3.703 3.527 107 HE22 GLN 15 HE22 GLN 15 0.849 5.309 4.028 108 H LEU 16 HN LEU 16 2.877 -0.268 2.407 109 HA LEU 16 HA LEU 16 0.760 -0.957 0.556 110 HB2 LEU 16 HB2 LEU 16 3.242 0.058 0.235 111 HB3 LEU 16 HB1 LEU 16 3.632 -1.635 0.000 112 HG LEU 16 HG LEU 16 1.927 -1.776 -1.776 113 HD11 LEU 16 HD11 LEU 16 1.263 0.923 -0.772 114 HD12 LEU 16 HD12 LEU 16 0.261 -0.260 -1.604 115 HD13 LEU 16 HD13 LEU 16 1.317 0.790 -2.530 116 HD21 LEU 16 HD21 LEU 16 3.517 -1.177 -3.243 117 HD22 LEU 16 HD22 LEU 16 4.431 -0.478 -1.907 118 HD23 LEU 16 HD23 LEU 16 3.344 0.527 -2.854 119 H GLU 17 HN GLU 17 3.401 -2.759 2.132 120 HA GLU 17 HA GLU 17 2.668 -5.331 1.110 121 HB2 GLU 17 HB2 GLU 17 3.955 -4.654 3.783 122 HB3 GLU 17 HB1 GLU 17 3.980 -6.235 3.000 123 HG2 GLU 17 HG2 GLU 17 5.439 -5.528 1.313 124 HG3 GLU 17 HG1 GLU 17 5.028 -3.826 1.527 125 H ASN 18 HN ASN 18 1.434 -3.306 3.604 126 HA ASN 18 HA ASN 18 0.049 -5.187 5.218 127 HB2 ASN 18 HB2 ASN 18 0.091 -2.292 4.768 128 HB3 ASN 18 HB1 ASN 18 -1.478 -2.839 5.276 129 HD21 ASN 18 HD21 ASN 18 0.837 -1.330 6.683 130 HD22 ASN 18 HD22 ASN 18 0.962 -2.176 8.138 131 H TYR 19 HN TYR 19 -0.905 -3.644 2.136 132 HA TYR 19 HA TYR 19 -3.598 -4.846 2.278 133 HB2 TYR 19 HB2 TYR 19 -2.172 -3.422 0.011 134 HB3 TYR 19 HB1 TYR 19 -3.871 -3.894 0.007 135 HD1 TYR 19 HD1 TYR 19 -5.447 -2.898 1.715 136 HD2 TYR 19 HD2 TYR 19 -1.433 -1.499 1.171 137 HE1 TYR 19 HE1 TYR 19 -6.012 -0.814 2.940 138 HE2 TYR 19 HE2 TYR 19 -1.989 0.590 2.395 139 HH TYR 19 HH TYR 19 -3.656 1.823 3.255 140 H CYS 20 HN CYS 20 -0.610 -6.066 1.740 141 HA CYS 20 HA CYS 20 -1.498 -8.019 -0.335 142 HB2 CYS 20 HB2 CYS 20 0.529 -6.967 -0.974 143 HB3 CYS 20 HB1 CYS 20 1.215 -7.142 0.640 144 H ASN 21 HN ASN 21 -1.379 -10.234 0.103 145 HA ASN 21 HA ASN 21 -2.026 -11.187 2.627 146 HB2 ASN 21 HB2 ASN 21 -0.544 -12.553 0.373 147 HB3 ASN 21 HB1 ASN 21 -1.183 -13.393 1.771 148 HD21 ASN 21 HD21 ASN 21 -3.234 -10.859 1.225 149 HD22 ASN 21 HD22 ASN 21 -4.364 -11.649 0.253 150 H1 PHE 22 HT1 PHE 22 12.559 0.741 -0.624 151 H2 PHE 22 HT2 PHE 22 11.460 1.396 0.494 152 H3 PHE 22 HT3 PHE 22 12.702 2.362 -0.146 153 HA PHE 22 HA PHE 22 11.572 1.686 -2.409 154 HB2 PHE 22 HB2 PHE 22 9.890 0.378 -0.814 155 HB3 PHE 22 HB1 PHE 22 9.138 1.962 -0.650 156 HD1 PHE 22 HD1 PHE 22 8.053 3.047 -2.559 157 HD2 PHE 22 HD2 PHE 22 9.960 -0.780 -2.968 158 HE1 PHE 22 HE1 PHE 22 6.936 2.723 -4.752 159 HE2 PHE 22 HE2 PHE 22 8.847 -1.101 -5.161 160 HZ PHE 22 HZ PHE 22 7.335 0.651 -6.052 161 H VAL 23 HN VAL 23 11.687 3.683 -3.324 162 HA VAL 23 HA VAL 23 12.004 6.098 -1.974 163 HB VAL 23 HB VAL 23 12.335 5.763 -4.437 164 HG11 VAL 23 HG11 VAL 23 10.476 5.771 -5.932 165 HG12 VAL 23 HG12 VAL 23 9.353 6.229 -4.652 166 HG13 VAL 23 HG13 VAL 23 10.051 4.610 -4.674 167 HG21 VAL 23 HG21 VAL 23 11.764 8.023 -5.020 168 HG22 VAL 23 HG22 VAL 23 12.120 8.034 -3.293 169 HG23 VAL 23 HG23 VAL 23 10.446 8.059 -3.848 170 H ASN 24 HN ASN 24 10.520 7.921 -1.672 171 HA ASN 24 HA ASN 24 7.749 7.009 -0.990 172 HB2 ASN 24 HB2 ASN 24 8.197 9.550 0.173 173 HB3 ASN 24 HB1 ASN 24 8.191 8.002 1.006 174 HD21 ASN 24 HD21 ASN 24 10.385 6.821 1.017 175 HD22 ASN 24 HD22 ASN 24 11.787 7.775 1.095 176 H GLN 25 HN GLN 25 6.892 7.323 -3.095 177 HA GLN 25 HA GLN 25 6.601 10.165 -3.925 178 HB2 GLN 25 HB2 GLN 25 6.469 9.307 -6.239 179 HB3 GLN 25 HB1 GLN 25 8.047 9.045 -5.519 180 HG2 GLN 25 HG2 GLN 25 7.074 6.727 -4.835 181 HG3 GLN 25 HG1 GLN 25 5.854 7.059 -6.056 182 HE21 GLN 25 HE21 GLN 25 7.717 8.594 -7.759 183 HE22 GLN 25 HE22 GLN 25 8.722 7.445 -8.479 184 H HIS 26 HN HIS 26 4.519 10.791 -4.478 185 HA HIS 26 HA HIS 26 2.331 9.247 -3.472 186 HB2 HIS 26 HB2 HIS 26 2.102 11.486 -5.484 187 HB3 HIS 26 HB1 HIS 26 0.972 11.039 -4.212 188 HD1 HIS 26 HD1 HIS 26 4.644 12.118 -4.395 189 HD2 HIS 26 HD2 HIS 26 1.301 12.534 -2.002 190 HE1 HIS 26 HE1 HIS 26 5.324 13.584 -2.440 191 HE2 HIS 26 HE2 HIS 26 3.254 13.947 -1.043 192 H LEU 27 HN LEU 27 1.718 7.364 -4.428 193 HA LEU 27 HA LEU 27 1.907 7.051 -7.364 194 HB2 LEU 27 HB2 LEU 27 0.798 5.058 -5.391 195 HB3 LEU 27 HB1 LEU 27 1.438 4.752 -6.991 196 HG LEU 27 HG LEU 27 3.174 5.912 -4.804 197 HD11 LEU 27 HD11 LEU 27 2.210 3.753 -4.045 198 HD12 LEU 27 HD12 LEU 27 3.947 3.653 -4.328 199 HD13 LEU 27 HD13 LEU 27 2.821 2.992 -5.513 200 HD21 LEU 27 HD21 LEU 27 4.004 6.109 -7.099 201 HD22 LEU 27 HD22 LEU 27 3.714 4.393 -7.372 202 HD23 LEU 27 HD23 LEU 27 4.952 4.906 -6.228 203 H CYS 28 HN CYS 28 0.104 6.610 -8.658 204 HA CYS 28 HA CYS 28 -2.600 6.655 -7.540 205 HB2 CYS 28 HB2 CYS 28 -1.717 8.844 -9.449 206 HB3 CYS 28 HB1 CYS 28 -3.332 8.615 -8.794 207 H GLY 29 HN GLY 29 -4.137 6.783 -9.710 208 HA2 GLY 29 HA2 GLY 29 -4.767 5.485 -11.578 209 HA3 GLY 29 HA1 GLY 29 -3.172 5.905 -12.198 210 H SER 30 HN SER 30 -2.671 3.876 -13.059 211 HA SER 30 HA SER 30 -2.985 1.450 -11.467 212 HB2 SER 30 HB2 SER 30 -1.255 1.657 -13.927 213 HB3 SER 30 HB1 SER 30 -2.188 0.280 -13.340 214 HG SER 30 HG SER 30 -3.565 2.635 -13.917 215 H ASP 31 HN ASP 31 -0.548 3.884 -11.781 216 HA ASP 31 HA ASP 31 1.859 2.546 -11.285 217 HB2 ASP 31 HB2 ASP 31 0.972 5.038 -9.792 218 HB3 ASP 31 HB1 ASP 31 2.625 4.549 -10.149 219 H LEU 32 HN LEU 32 -0.400 3.729 -8.813 220 HA LEU 32 HA LEU 32 0.742 2.590 -6.521 221 HB2 LEU 32 HB2 LEU 32 -1.146 4.088 -6.378 222 HB3 LEU 32 HB1 LEU 32 -2.147 3.000 -7.334 223 HG LEU 32 HG LEU 32 -2.170 1.359 -5.558 224 HD11 LEU 32 HD11 LEU 32 -0.044 3.146 -4.389 225 HD12 LEU 32 HD12 LEU 32 -0.055 1.393 -4.549 226 HD13 LEU 32 HD13 LEU 32 -1.045 2.172 -3.320 227 HD21 LEU 32 HD21 LEU 32 -3.781 3.197 -5.425 228 HD22 LEU 32 HD22 LEU 32 -2.622 4.171 -4.535 229 HD23 LEU 32 HD23 LEU 32 -3.286 2.712 -3.805 230 H VAL 33 HN VAL 33 -1.818 1.126 -8.564 231 HA VAL 33 HA VAL 33 -1.920 -1.395 -7.333 232 HB VAL 33 HB VAL 33 -2.229 -0.574 -10.227 233 HG11 VAL 33 HG11 VAL 33 -2.337 -3.325 -8.986 234 HG12 VAL 33 HG12 VAL 33 -1.566 -2.825 -10.490 235 HG13 VAL 33 HG13 VAL 33 -3.323 -2.942 -10.398 236 HG21 VAL 33 HG21 VAL 33 -3.954 0.167 -8.665 237 HG22 VAL 33 HG22 VAL 33 -4.152 -1.483 -8.072 238 HG23 VAL 33 HG23 VAL 33 -4.605 -1.080 -9.729 239 H GLU 34 HN GLU 34 -0.039 -0.574 -10.232 240 HA GLU 34 HA GLU 34 1.402 -2.836 -10.614 241 HB2 GLU 34 HB2 GLU 34 2.100 0.060 -10.834 242 HB3 GLU 34 HB1 GLU 34 3.327 -1.142 -11.200 243 HG2 GLU 34 HG2 GLU 34 0.586 -1.367 -12.436 244 HG3 GLU 34 HG1 GLU 34 1.771 -0.268 -13.124 245 H ALA 35 HN ALA 35 2.094 -0.325 -8.204 246 HA ALA 35 HA ALA 35 4.494 -1.439 -7.174 247 HB1 ALA 35 HB1 ALA 35 3.371 0.816 -6.603 248 HB2 ALA 35 HB2 ALA 35 4.141 -0.053 -5.275 249 HB3 ALA 35 HB3 ALA 35 2.388 -0.106 -5.466 250 H LEU 36 HN LEU 36 1.169 -1.824 -5.850 251 HA LEU 36 HA LEU 36 1.771 -3.904 -4.062 252 HB2 LEU 36 HB2 LEU 36 -0.699 -3.503 -5.769 253 HB3 LEU 36 HB1 LEU 36 -0.603 -4.675 -4.457 254 HG LEU 36 HG LEU 36 0.088 -1.783 -3.926 255 HD11 LEU 36 HD11 LEU 36 -2.137 -1.829 -5.044 256 HD12 LEU 36 HD12 LEU 36 -2.242 -1.348 -3.354 257 HD13 LEU 36 HD13 LEU 36 -2.690 -2.980 -3.832 258 HD21 LEU 36 HD21 LEU 36 -0.672 -2.378 -1.674 259 HD22 LEU 36 HD22 LEU 36 0.524 -3.550 -2.210 260 HD23 LEU 36 HD23 LEU 36 -1.184 -3.961 -2.243 261 H TYR 37 HN TYR 37 0.821 -4.113 -7.481 262 HA TYR 37 HA TYR 37 0.989 -6.910 -7.798 263 HB2 TYR 37 HB2 TYR 37 0.276 -5.095 -9.506 264 HB3 TYR 37 HB1 TYR 37 1.985 -4.935 -9.862 265 HD1 TYR 37 HD1 TYR 37 -0.976 -7.035 -10.211 266 HD2 TYR 37 HD2 TYR 37 3.279 -6.860 -10.773 267 HE1 TYR 37 HE1 TYR 37 -1.088 -9.028 -11.682 268 HE2 TYR 37 HE2 TYR 37 3.167 -8.853 -12.244 269 HH TYR 37 HH TYR 37 1.203 -10.947 -12.353 270 H LEU 38 HN LEU 38 3.423 -4.480 -7.363 271 HA LEU 38 HA LEU 38 5.671 -6.221 -8.100 272 HB2 LEU 38 HB2 LEU 38 5.367 -3.566 -8.220 273 HB3 LEU 38 HB1 LEU 38 5.949 -3.648 -6.573 274 HG LEU 38 HG LEU 38 7.879 -5.092 -7.542 275 HD11 LEU 38 HD11 LEU 38 8.412 -4.396 -9.906 276 HD12 LEU 38 HD12 LEU 38 6.790 -3.722 -10.022 277 HD13 LEU 38 HD13 LEU 38 7.010 -5.454 -9.783 278 HD21 LEU 38 HD21 LEU 38 8.201 -2.859 -6.635 279 HD22 LEU 38 HD22 LEU 38 7.543 -2.131 -8.100 280 HD23 LEU 38 HD23 LEU 38 9.091 -2.974 -8.154 281 H VAL 39 HN VAL 39 4.781 -4.442 -5.147 282 HA VAL 39 HA VAL 39 6.408 -5.744 -3.298 283 HB VAL 39 HB VAL 39 3.572 -4.730 -2.858 284 HG11 VAL 39 HG11 VAL 39 4.259 -4.401 -0.560 285 HG12 VAL 39 HG12 VAL 39 5.873 -5.014 -0.919 286 HG13 VAL 39 HG13 VAL 39 4.481 -6.094 -0.987 287 HG21 VAL 39 HG21 VAL 39 4.843 -2.964 -3.820 288 HG22 VAL 39 HG22 VAL 39 6.260 -3.363 -2.850 289 HG23 VAL 39 HG23 VAL 39 4.832 -2.681 -2.081 290 H CYS 40 HN CYS 40 3.004 -6.539 -4.001 291 HA CYS 40 HA CYS 40 3.123 -8.976 -2.450 292 HB2 CYS 40 HB2 CYS 40 1.104 -7.393 -3.181 293 HB3 CYS 40 HB1 CYS 40 0.989 -8.542 -4.507 294 H GLY 41 HN GLY 41 3.556 -8.229 -5.874 295 HA2 GLY 41 HA2 GLY 41 4.063 -9.670 -7.674 296 HA3 GLY 41 HA1 GLY 41 5.012 -10.542 -6.472 297 H GLU 42 HN GLU 42 4.381 -12.599 -6.060 298 HA GLU 42 HA GLU 42 1.929 -13.626 -7.263 299 HB2 GLU 42 HB2 GLU 42 4.142 -14.823 -7.289 300 HB3 GLU 42 HB1 GLU 42 3.967 -15.061 -5.552 301 HG2 GLU 42 HG2 GLU 42 3.168 -17.045 -6.651 302 HG3 GLU 42 HG1 GLU 42 1.770 -16.190 -6.005 303 H ARG 43 HN ARG 43 2.978 -12.655 -4.089 304 HA ARG 43 HA ARG 43 1.300 -14.186 -2.440 305 HB2 ARG 43 HB2 ARG 43 2.409 -11.410 -2.221 306 HB3 ARG 43 HB1 ARG 43 1.200 -11.910 -1.051 307 HG2 ARG 43 HG2 ARG 43 2.600 -13.880 -0.509 308 HG3 ARG 43 HG1 ARG 43 3.823 -13.287 -1.633 309 HD2 ARG 43 HD2 ARG 43 3.461 -11.031 -0.151 310 HD3 ARG 43 HD1 ARG 43 3.084 -12.258 1.061 311 HE ARG 43 HE ARG 43 5.307 -13.070 0.900 312 HH11 ARG 43 HH11 ARG 43 7.481 -12.699 0.432 313 HH12 ARG 43 HH12 ARG 43 7.907 -11.475 -0.716 314 HH21 ARG 43 HH21 ARG 43 4.632 -10.561 -1.372 315 HH22 ARG 43 HH22 ARG 43 6.299 -10.268 -1.732 316 H GLY 44 HN GLY 44 0.439 -11.590 -4.596 317 HA2 GLY 44 HA2 GLY 44 -1.728 -11.064 -5.404 318 HA3 GLY 44 HA1 GLY 44 -2.388 -12.278 -4.310 319 H TYR 45 HN TYR 45 -2.707 -9.161 -4.916 320 HA TYR 45 HA TYR 45 -2.983 -8.361 -2.039 321 HB2 TYR 45 HB2 TYR 45 -2.567 -6.042 -2.786 322 HB3 TYR 45 HB1 TYR 45 -1.206 -7.060 -3.196 323 HD1 TYR 45 HD1 TYR 45 -3.782 -4.899 -4.501 324 HD2 TYR 45 HD2 TYR 45 -1.074 -8.060 -5.502 325 HE1 TYR 45 HE1 TYR 45 -4.035 -4.348 -6.897 326 HE2 TYR 45 HE2 TYR 45 -1.327 -7.523 -7.913 327 HH TYR 45 HH TYR 45 -2.439 -6.308 -9.411 328 H PHE 46 HN PHE 46 -4.604 -6.404 -1.982 329 HA PHE 46 HA PHE 46 -6.921 -6.985 -3.810 330 HB2 PHE 46 HB2 PHE 46 -6.942 -6.497 -0.832 331 HB3 PHE 46 HB1 PHE 46 -8.385 -6.430 -1.832 332 HD1 PHE 46 HD1 PHE 46 -5.544 -8.665 -0.877 333 HD2 PHE 46 HD2 PHE 46 -9.547 -8.403 -2.412 334 HE1 PHE 46 HE1 PHE 46 -5.753 -11.133 -0.761 335 HE2 PHE 46 HE2 PHE 46 -9.754 -10.871 -2.295 336 HZ PHE 46 HZ PHE 46 -7.856 -12.236 -1.469 337 H TYR 47 HN TYR 47 -7.440 -5.236 -4.903 338 HA TYR 47 HA TYR 47 -7.042 -2.523 -3.686 339 HB2 TYR 47 HB2 TYR 47 -5.287 -3.024 -5.400 340 HB3 TYR 47 HB1 TYR 47 -6.569 -3.257 -6.593 341 HD1 TYR 47 HD1 TYR 47 -5.084 -0.788 -4.232 342 HD2 TYR 47 HD2 TYR 47 -7.646 -1.402 -7.627 343 HE1 TYR 47 HE1 TYR 47 -5.225 1.651 -4.570 344 HE2 TYR 47 HE2 TYR 47 -7.773 1.052 -7.972 345 HH TYR 47 HH TYR 47 -5.681 3.215 -6.556 346 H THR 48 HN THR 48 -9.121 -1.811 -3.378 347 HA THR 48 HA THR 48 -10.861 -1.341 -5.609 348 HB THR 48 HB THR 48 -11.372 -3.657 -5.628 349 HG1 THR 48 HG1 THR 48 -13.496 -3.570 -5.207 350 HG21 THR 48 HG21 THR 48 -10.322 -4.271 -3.509 351 HG22 THR 48 HG22 THR 48 -11.971 -4.893 -3.556 352 HG23 THR 48 HG23 THR 48 -11.601 -3.448 -2.616 353 H LYS 49 HN LYS 49 -10.077 0.432 -3.819 354 HA LYS 49 HA LYS 49 -12.497 0.961 -2.172 355 HB2 LYS 49 HB2 LYS 49 -10.338 0.001 -0.958 356 HB3 LYS 49 HB1 LYS 49 -9.764 1.656 -1.128 357 HG2 LYS 49 HG2 LYS 49 -10.858 1.895 0.885 358 HG3 LYS 49 HG1 LYS 49 -12.223 2.196 -0.183 359 HD2 LYS 49 HD2 LYS 49 -13.119 0.588 1.259 360 HD3 LYS 49 HD1 LYS 49 -12.541 -0.420 -0.065 361 HE2 LYS 49 HE2 LYS 49 -11.692 -1.515 1.835 362 HE3 LYS 49 HE1 LYS 49 -10.321 -0.540 1.310 363 HZ1 LYS 49 HZ1 LYS 49 -11.947 -0.307 3.682 364 HZ2 LYS 49 HZ2 LYS 49 -11.653 1.169 2.895 365 HZ3 LYS 49 HZ3 LYS 49 -10.353 0.201 3.404 366 HA PRO 50 HA PRO 50 -10.946 4.193 -5.465 367 HB2 PRO 50 HB2 PRO 50 -13.848 4.741 -5.045 368 HB3 PRO 50 HB1 PRO 50 -12.933 4.596 -6.557 369 HG2 PRO 50 HG2 PRO 50 -14.509 2.587 -5.257 370 HG3 PRO 50 HG1 PRO 50 -13.570 2.433 -6.751 371 HD2 PRO 50 HD2 PRO 50 -12.974 1.092 -4.402 372 HD3 PRO 50 HD1 PRO 50 -11.786 1.448 -5.673 373 H THR 51 HN THR 51 -13.168 4.624 -2.671 374 HA THR 51 HA THR 51 -13.384 6.444 -1.195 375 HB THR 51 HB THR 51 -11.033 7.350 -0.513 376 HG1 THR 51 HG1 THR 51 -9.374 6.482 -1.475 377 HG21 THR 51 HG21 THR 51 -10.507 5.053 0.561 378 HG22 THR 51 HG22 THR 51 -11.988 4.509 -0.224 379 HG23 THR 51 HG23 THR 51 -12.047 5.815 0.957 Start of MODEL 18 1 H1 GLY 1 HT1 GLY 1 -8.922 5.332 3.015 2 H2 GLY 1 HT2 GLY 1 -7.892 4.367 3.960 3 H3 GLY 1 HT3 GLY 1 -9.458 3.826 3.584 4 HA2 GLY 1 HA2 GLY 1 -8.594 2.627 1.904 5 HA3 GLY 1 HA1 GLY 1 -8.272 4.229 1.182 6 H ILE 2 HN ILE 2 -6.694 2.271 0.415 7 HA ILE 2 HA ILE 2 -4.129 3.400 1.179 8 HB ILE 2 HB ILE 2 -4.398 1.047 0.412 9 HG12 ILE 2 HG12 ILE 2 -2.651 2.622 -1.494 10 HG13 ILE 2 HG11 ILE 2 -2.231 2.369 0.194 11 HG21 ILE 2 HG21 ILE 2 -4.852 2.284 -2.317 12 HG22 ILE 2 HG22 ILE 2 -6.113 1.545 -1.338 13 HG23 ILE 2 HG23 ILE 2 -4.779 0.566 -1.945 14 HD11 ILE 2 HD11 ILE 2 -1.276 0.424 -0.416 15 HD12 ILE 2 HD12 ILE 2 -1.905 0.561 -2.053 16 HD13 ILE 2 HD13 ILE 2 -2.875 -0.208 -0.802 17 H VAL 3 HN VAL 3 -6.349 3.826 -1.531 18 HA VAL 3 HA VAL 3 -4.729 5.313 -3.279 19 HB VAL 3 HB VAL 3 -7.625 5.956 -2.688 20 HG11 VAL 3 HG11 VAL 3 -6.261 7.317 -4.324 21 HG12 VAL 3 HG12 VAL 3 -7.696 6.550 -5.005 22 HG13 VAL 3 HG13 VAL 3 -6.101 5.853 -5.294 23 HG21 VAL 3 HG21 VAL 3 -7.588 3.575 -2.824 24 HG22 VAL 3 HG22 VAL 3 -6.406 3.595 -4.132 25 HG23 VAL 3 HG23 VAL 3 -8.059 4.134 -4.429 26 H GLU 4 HN GLU 4 -6.543 6.375 -0.438 27 HA GLU 4 HA GLU 4 -5.888 9.175 -0.843 28 HB2 GLU 4 HB2 GLU 4 -6.754 7.895 1.757 29 HB3 GLU 4 HB1 GLU 4 -6.986 9.567 1.241 30 HG2 GLU 4 HG2 GLU 4 -8.317 8.533 -0.751 31 HG3 GLU 4 HG1 GLU 4 -8.376 7.080 0.247 32 H GLN 5 HN GLN 5 -4.217 6.502 0.577 33 HA GLN 5 HA GLN 5 -2.471 8.248 2.208 34 HB2 GLN 5 HB2 GLN 5 -2.425 5.258 1.711 35 HB3 GLN 5 HB1 GLN 5 -1.373 6.114 2.839 36 HG2 GLN 5 HG2 GLN 5 -3.256 6.817 4.171 37 HG3 GLN 5 HG1 GLN 5 -4.397 6.206 2.975 38 HE21 GLN 5 HE21 GLN 5 -1.901 4.015 2.999 39 HE22 GLN 5 HE22 GLN 5 -2.504 2.910 4.138 40 H CYS 6 HN CYS 6 -2.213 6.211 -0.717 41 HA CYS 6 HA CYS 6 0.603 7.004 -1.056 42 HB2 CYS 6 HB2 CYS 6 -1.017 5.333 -2.959 43 HB3 CYS 6 HB1 CYS 6 0.707 5.282 -2.636 44 H CYS 7 HN CYS 7 -2.531 7.884 -2.400 45 HA CYS 7 HA CYS 7 -1.210 9.275 -4.675 46 HB2 CYS 7 HB2 CYS 7 -3.402 7.937 -4.887 47 HB3 CYS 7 HB1 CYS 7 -4.166 9.282 -4.056 48 H THR 8 HN THR 8 -3.760 10.249 -2.355 49 HA THR 8 HA THR 8 -3.302 13.030 -2.615 50 HB THR 8 HB THR 8 -4.144 11.651 -0.055 51 HG1 THR 8 HG1 THR 8 -5.431 11.870 -2.530 52 HG21 THR 8 HG21 THR 8 -5.613 13.658 0.080 53 HG22 THR 8 HG22 THR 8 -4.835 14.276 -1.377 54 HG23 THR 8 HG23 THR 8 -3.893 14.041 0.096 55 H SER 9 HN SER 9 -1.358 10.605 -1.382 56 HA SER 9 HA SER 9 0.570 12.527 -0.314 57 HB2 SER 9 HB2 SER 9 -0.399 10.385 1.568 58 HB3 SER 9 HB1 SER 9 0.455 11.877 1.939 59 HG SER 9 HG SER 9 -2.069 11.531 2.106 60 H ILE 10 HN ILE 10 2.086 10.567 1.143 61 HA ILE 10 HA ILE 10 2.799 8.630 -1.044 62 HB ILE 10 HB ILE 10 4.606 10.014 0.965 63 HG12 ILE 10 HG12 ILE 10 4.530 10.319 -2.038 64 HG13 ILE 10 HG11 ILE 10 3.631 11.369 -0.958 65 HG21 ILE 10 HG21 ILE 10 5.296 8.208 -1.378 66 HG22 ILE 10 HG22 ILE 10 5.361 7.714 0.314 67 HG23 ILE 10 HG23 ILE 10 6.436 8.975 -0.276 68 HD11 ILE 10 HD11 ILE 10 5.600 12.212 0.051 69 HD12 ILE 10 HD12 ILE 10 5.973 12.161 -1.672 70 HD13 ILE 10 HD13 ILE 10 6.588 10.904 -0.600 71 H CYS 11 HN CYS 11 3.079 6.509 -0.443 72 HA CYS 11 HA CYS 11 2.385 5.812 2.384 73 HB2 CYS 11 HB2 CYS 11 2.263 4.238 -0.200 74 HB3 CYS 11 HB1 CYS 11 1.978 3.523 1.385 75 H SER 12 HN SER 12 3.441 3.699 3.108 76 HA SER 12 HA SER 12 6.339 3.637 2.318 77 HB2 SER 12 HB2 SER 12 5.036 3.223 5.018 78 HB3 SER 12 HB1 SER 12 6.706 2.791 4.675 79 HG SER 12 HG SER 12 6.660 5.135 3.811 80 H LEU 13 HN LEU 13 7.229 1.571 2.041 81 HA LEU 13 HA LEU 13 5.741 -0.456 0.937 82 HB2 LEU 13 HB2 LEU 13 8.377 -0.106 1.506 83 HB3 LEU 13 HB1 LEU 13 8.005 -1.356 2.683 84 HG LEU 13 HG LEU 13 7.066 -2.758 0.845 85 HD11 LEU 13 HD11 LEU 13 8.087 -1.782 -1.502 86 HD12 LEU 13 HD12 LEU 13 7.617 -0.280 -0.708 87 HD13 LEU 13 HD13 LEU 13 6.422 -1.544 -0.983 88 HD21 LEU 13 HD21 LEU 13 9.462 -2.872 1.628 89 HD22 LEU 13 HD22 LEU 13 9.893 -1.820 0.280 90 HD23 LEU 13 HD23 LEU 13 9.223 -3.422 -0.030 91 H TYR 14 HN TYR 14 6.231 0.115 4.401 92 HA TYR 14 HA TYR 14 5.145 -2.411 5.243 93 HB2 TYR 14 HB2 TYR 14 5.623 -1.606 7.320 94 HB3 TYR 14 HB1 TYR 14 6.211 -0.152 6.523 95 HD1 TYR 14 HD1 TYR 14 5.164 1.896 6.947 96 HD2 TYR 14 HD2 TYR 14 3.077 -1.728 7.802 97 HE1 TYR 14 HE1 TYR 14 3.359 3.210 8.034 98 HE2 TYR 14 HE2 TYR 14 1.264 -0.440 8.892 99 HH TYR 14 HH TYR 14 1.279 2.102 10.090 100 H GLN 15 HN GLN 15 3.665 0.652 4.327 101 HA GLN 15 HA GLN 15 0.999 -0.176 5.132 102 HB2 GLN 15 HB2 GLN 15 1.763 2.009 3.166 103 HB3 GLN 15 HB1 GLN 15 0.252 1.853 4.054 104 HG2 GLN 15 HG2 GLN 15 1.393 2.216 6.166 105 HG3 GLN 15 HG1 GLN 15 2.954 2.231 5.348 106 HE21 GLN 15 HE21 GLN 15 0.869 3.671 3.224 107 HE22 GLN 15 HE22 GLN 15 1.083 5.293 3.666 108 H LEU 16 HN LEU 16 2.960 -0.210 2.205 109 HA LEU 16 HA LEU 16 0.851 -1.023 0.427 110 HB2 LEU 16 HB2 LEU 16 3.323 -0.030 0.049 111 HB3 LEU 16 HB1 LEU 16 3.722 -1.729 -0.101 112 HG LEU 16 HG LEU 16 2.054 -1.975 -1.884 113 HD11 LEU 16 HD11 LEU 16 1.314 0.760 -1.022 114 HD12 LEU 16 HD12 LEU 16 0.339 -0.496 -1.777 115 HD13 LEU 16 HD13 LEU 16 1.368 0.521 -2.769 116 HD21 LEU 16 HD21 LEU 16 3.438 0.340 -3.008 117 HD22 LEU 16 HD22 LEU 16 3.615 -1.366 -3.381 118 HD23 LEU 16 HD23 LEU 16 4.526 -0.659 -2.048 119 H GLU 17 HN GLU 17 3.507 -2.796 2.017 120 HA GLU 17 HA GLU 17 2.740 -5.388 1.087 121 HB2 GLU 17 HB2 GLU 17 4.074 -4.648 3.719 122 HB3 GLU 17 HB1 GLU 17 4.082 -6.247 2.975 123 HG2 GLU 17 HG2 GLU 17 5.523 -5.592 1.256 124 HG3 GLU 17 HG1 GLU 17 5.103 -3.886 1.411 125 H ASN 18 HN ASN 18 1.515 -3.282 3.503 126 HA ASN 18 HA ASN 18 0.143 -5.171 5.162 127 HB2 ASN 18 HB2 ASN 18 0.330 -2.285 4.825 128 HB3 ASN 18 HB1 ASN 18 -1.294 -2.736 5.252 129 HD21 ASN 18 HD21 ASN 18 1.039 -1.422 6.794 130 HD22 ASN 18 HD22 ASN 18 1.058 -2.320 8.225 131 H TYR 19 HN TYR 19 -0.788 -3.576 2.108 132 HA TYR 19 HA TYR 19 -3.539 -4.639 2.302 133 HB2 TYR 19 HB2 TYR 19 -2.089 -3.233 0.043 134 HB3 TYR 19 HB1 TYR 19 -3.794 -3.680 0.019 135 HD1 TYR 19 HD1 TYR 19 -5.342 -2.731 1.814 136 HD2 TYR 19 HD2 TYR 19 -1.363 -1.283 1.146 137 HE1 TYR 19 HE1 TYR 19 -5.891 -0.654 3.060 138 HE2 TYR 19 HE2 TYR 19 -1.901 0.793 2.398 139 HH TYR 19 HH TYR 19 -4.340 1.126 4.431 140 H CYS 20 HN CYS 20 -0.569 -5.936 1.542 141 HA CYS 20 HA CYS 20 -1.649 -7.803 -0.501 142 HB2 CYS 20 HB2 CYS 20 0.485 -6.937 -1.109 143 HB3 CYS 20 HB1 CYS 20 1.141 -7.247 0.500 144 H ASN 21 HN ASN 21 -1.744 -10.031 -0.111 145 HA ASN 21 HA ASN 21 -2.138 -10.808 2.647 146 HB2 ASN 21 HB2 ASN 21 -2.460 -13.082 1.606 147 HB3 ASN 21 HB1 ASN 21 -3.511 -11.833 0.954 148 HD21 ASN 21 HD21 ASN 21 -3.206 -13.905 -0.755 149 HD22 ASN 21 HD22 ASN 21 -2.107 -13.549 -1.998 150 H1 PHE 22 HT1 PHE 22 13.139 1.245 -1.465 151 H2 PHE 22 HT2 PHE 22 11.980 0.045 -1.140 152 H3 PHE 22 HT3 PHE 22 12.045 1.449 -0.185 153 HA PHE 22 HA PHE 22 11.435 1.447 -3.086 154 HB2 PHE 22 HB2 PHE 22 9.807 0.351 -1.216 155 HB3 PHE 22 HB1 PHE 22 9.331 2.035 -1.029 156 HD1 PHE 22 HD1 PHE 22 8.190 3.228 -2.835 157 HD2 PHE 22 HD2 PHE 22 9.470 -0.841 -3.329 158 HE1 PHE 22 HE1 PHE 22 6.791 3.034 -4.875 159 HE2 PHE 22 HE2 PHE 22 8.073 -1.035 -5.369 160 HZ PHE 22 HZ PHE 22 6.734 0.904 -6.142 161 H VAL 23 HN VAL 23 10.511 3.599 -3.695 162 HA VAL 23 HA VAL 23 11.891 5.756 -2.185 163 HB VAL 23 HB VAL 23 12.070 5.485 -4.732 164 HG11 VAL 23 HG11 VAL 23 9.363 6.840 -4.718 165 HG12 VAL 23 HG12 VAL 23 9.526 5.103 -4.949 166 HG13 VAL 23 HG13 VAL 23 10.252 6.219 -6.106 167 HG21 VAL 23 HG21 VAL 23 11.996 7.930 -5.076 168 HG22 VAL 23 HG22 VAL 23 12.710 7.541 -3.511 169 HG23 VAL 23 HG23 VAL 23 11.044 8.111 -3.603 170 H ASN 24 HN ASN 24 10.760 7.696 -1.585 171 HA ASN 24 HA ASN 24 7.941 7.200 -0.824 172 HB2 ASN 24 HB2 ASN 24 8.602 9.827 -0.058 173 HB3 ASN 24 HB1 ASN 24 8.658 8.409 0.982 174 HD21 ASN 24 HD21 ASN 24 10.795 7.258 1.125 175 HD22 ASN 24 HD22 ASN 24 12.224 8.128 0.838 176 H GLN 25 HN GLN 25 6.804 7.349 -2.758 177 HA GLN 25 HA GLN 25 6.771 10.042 -4.057 178 HB2 GLN 25 HB2 GLN 25 7.195 7.340 -5.310 179 HB3 GLN 25 HB1 GLN 25 6.393 8.592 -6.238 180 HG2 GLN 25 HG2 GLN 25 9.015 9.136 -4.851 181 HG3 GLN 25 HG1 GLN 25 8.945 8.409 -6.456 182 HE21 GLN 25 HE21 GLN 25 7.213 9.685 -7.928 183 HE22 GLN 25 HE22 GLN 25 7.409 11.365 -7.912 184 H HIS 26 HN HIS 26 4.745 10.703 -4.771 185 HA HIS 26 HA HIS 26 2.463 9.359 -3.589 186 HB2 HIS 26 HB2 HIS 26 2.453 11.573 -5.660 187 HB3 HIS 26 HB1 HIS 26 1.155 11.151 -4.552 188 HD1 HIS 26 HD1 HIS 26 1.029 12.678 -2.601 189 HD2 HIS 26 HD2 HIS 26 4.949 12.279 -3.966 190 HE1 HIS 26 HE1 HIS 26 2.460 14.159 -1.124 191 HE2 HIS 26 HE2 HIS 26 4.841 13.944 -1.964 192 H LEU 27 HN LEU 27 1.833 7.437 -4.535 193 HA LEU 27 HA LEU 27 2.005 7.130 -7.474 194 HB2 LEU 27 HB2 LEU 27 1.036 5.121 -5.444 195 HB3 LEU 27 HB1 LEU 27 1.590 4.812 -7.075 196 HG LEU 27 HG LEU 27 3.435 6.069 -5.030 197 HD11 LEU 27 HD11 LEU 27 2.581 3.932 -4.112 198 HD12 LEU 27 HD12 LEU 27 4.290 3.834 -4.536 199 HD13 LEU 27 HD13 LEU 27 3.076 3.116 -5.595 200 HD21 LEU 27 HD21 LEU 27 5.135 5.023 -6.516 201 HD22 LEU 27 HD22 LEU 27 4.130 6.198 -7.359 202 HD23 LEU 27 HD23 LEU 27 3.837 4.472 -7.573 203 H CYS 28 HN CYS 28 0.180 6.611 -8.721 204 HA CYS 28 HA CYS 28 -2.498 6.616 -7.536 205 HB2 CYS 28 HB2 CYS 28 -1.730 8.767 -9.532 206 HB3 CYS 28 HB1 CYS 28 -3.301 8.539 -8.777 207 H GLY 29 HN GLY 29 -4.091 6.682 -9.661 208 HA2 GLY 29 HA2 GLY 29 -4.760 5.332 -11.477 209 HA3 GLY 29 HA1 GLY 29 -3.201 5.785 -12.164 210 H SER 30 HN SER 30 -2.697 3.753 -13.021 211 HA SER 30 HA SER 30 -2.891 1.341 -11.404 212 HB2 SER 30 HB2 SER 30 -1.213 1.589 -13.896 213 HB3 SER 30 HB1 SER 30 -2.077 0.181 -13.279 214 HG SER 30 HG SER 30 -3.436 2.550 -13.991 215 H ASP 31 HN ASP 31 -0.519 3.835 -11.804 216 HA ASP 31 HA ASP 31 1.922 2.562 -11.320 217 HB2 ASP 31 HB2 ASP 31 1.011 5.066 -9.866 218 HB3 ASP 31 HB1 ASP 31 2.668 4.604 -10.248 219 H LEU 32 HN LEU 32 -0.298 3.755 -8.804 220 HA LEU 32 HA LEU 32 0.935 2.647 -6.536 221 HB2 LEU 32 HB2 LEU 32 -0.949 4.145 -6.332 222 HB3 LEU 32 HB1 LEU 32 -1.984 3.053 -7.244 223 HG LEU 32 HG LEU 32 -1.898 1.405 -5.443 224 HD11 LEU 32 HD11 LEU 32 0.070 3.371 -4.262 225 HD12 LEU 32 HD12 LEU 32 0.281 1.641 -4.525 226 HD13 LEU 32 HD13 LEU 32 -0.795 2.216 -3.254 227 HD21 LEU 32 HD21 LEU 32 -2.437 4.186 -4.377 228 HD22 LEU 32 HD22 LEU 32 -3.116 2.683 -3.769 229 HD23 LEU 32 HD23 LEU 32 -3.553 3.261 -5.375 230 H VAL 33 HN VAL 33 -1.686 1.168 -8.488 231 HA VAL 33 HA VAL 33 -1.777 -1.344 -7.248 232 HB VAL 33 HB VAL 33 -2.121 -0.535 -10.143 233 HG11 VAL 33 HG11 VAL 33 -1.477 -2.790 -10.408 234 HG12 VAL 33 HG12 VAL 33 -3.232 -2.898 -10.288 235 HG13 VAL 33 HG13 VAL 33 -2.227 -3.281 -8.890 236 HG21 VAL 33 HG21 VAL 33 -4.094 -1.545 -8.085 237 HG22 VAL 33 HG22 VAL 33 -4.464 -0.846 -9.662 238 HG23 VAL 33 HG23 VAL 33 -3.776 0.163 -8.389 239 H GLU 34 HN GLU 34 0.086 -0.523 -10.156 240 HA GLU 34 HA GLU 34 1.490 -2.805 -10.582 241 HB2 GLU 34 HB2 GLU 34 2.158 0.088 -10.850 242 HB3 GLU 34 HB1 GLU 34 3.466 -1.060 -11.089 243 HG2 GLU 34 HG2 GLU 34 2.192 -2.208 -12.825 244 HG3 GLU 34 HG1 GLU 34 0.807 -1.154 -12.539 245 H ALA 35 HN ALA 35 2.236 -0.346 -8.135 246 HA ALA 35 HA ALA 35 4.611 -1.526 -7.120 247 HB1 ALA 35 HB1 ALA 35 2.553 -0.241 -5.324 248 HB2 ALA 35 HB2 ALA 35 3.434 0.729 -6.503 249 HB3 ALA 35 HB3 ALA 35 4.312 -0.133 -5.242 250 H LEU 36 HN LEU 36 1.273 -1.899 -5.817 251 HA LEU 36 HA LEU 36 1.832 -4.047 -4.096 252 HB2 LEU 36 HB2 LEU 36 -0.624 -3.518 -5.785 253 HB3 LEU 36 HB1 LEU 36 -0.560 -4.756 -4.533 254 HG LEU 36 HG LEU 36 0.202 -1.910 -3.864 255 HD11 LEU 36 HD11 LEU 36 -2.034 -1.860 -4.973 256 HD12 LEU 36 HD12 LEU 36 -2.109 -1.441 -3.263 257 HD13 LEU 36 HD13 LEU 36 -2.603 -3.043 -3.798 258 HD21 LEU 36 HD21 LEU 36 -1.085 -4.163 -2.295 259 HD22 LEU 36 HD22 LEU 36 -0.593 -2.605 -1.642 260 HD23 LEU 36 HD23 LEU 36 0.619 -3.735 -2.227 261 H TYR 37 HN TYR 37 0.901 -4.134 -7.528 262 HA TYR 37 HA TYR 37 1.017 -6.931 -7.899 263 HB2 TYR 37 HB2 TYR 37 0.338 -5.050 -9.563 264 HB3 TYR 37 HB1 TYR 37 2.047 -4.951 -9.940 265 HD1 TYR 37 HD1 TYR 37 -0.993 -6.954 -10.240 266 HD2 TYR 37 HD2 TYR 37 3.244 -6.884 -10.938 267 HE1 TYR 37 HE1 TYR 37 -1.209 -8.916 -11.742 268 HE2 TYR 37 HE2 TYR 37 3.029 -8.846 -12.441 269 HH TYR 37 HH TYR 37 0.442 -10.834 -12.506 270 H LEU 38 HN LEU 38 3.487 -4.555 -7.403 271 HA LEU 38 HA LEU 38 5.709 -6.310 -8.184 272 HB2 LEU 38 HB2 LEU 38 5.448 -3.646 -8.222 273 HB3 LEU 38 HB1 LEU 38 6.023 -3.790 -6.577 274 HG LEU 38 HG LEU 38 7.932 -5.235 -7.589 275 HD11 LEU 38 HD11 LEU 38 6.875 -3.763 -10.025 276 HD12 LEU 38 HD12 LEU 38 7.059 -5.506 -9.842 277 HD13 LEU 38 HD13 LEU 38 8.482 -4.475 -9.927 278 HD21 LEU 38 HD21 LEU 38 9.182 -3.120 -8.125 279 HD22 LEU 38 HD22 LEU 38 8.286 -3.038 -6.608 280 HD23 LEU 38 HD23 LEU 38 7.649 -2.252 -8.052 281 H VAL 39 HN VAL 39 4.825 -4.606 -5.189 282 HA VAL 39 HA VAL 39 6.403 -6.032 -3.367 283 HB VAL 39 HB VAL 39 3.620 -4.916 -2.874 284 HG11 VAL 39 HG11 VAL 39 4.738 -6.309 -1.057 285 HG12 VAL 39 HG12 VAL 39 4.285 -4.666 -0.613 286 HG13 VAL 39 HG13 VAL 39 5.967 -5.046 -0.983 287 HG21 VAL 39 HG21 VAL 39 4.888 -3.197 -3.933 288 HG22 VAL 39 HG22 VAL 39 6.324 -3.585 -2.987 289 HG23 VAL 39 HG23 VAL 39 4.923 -2.868 -2.203 290 H CYS 40 HN CYS 40 2.944 -6.561 -4.027 291 HA CYS 40 HA CYS 40 2.853 -9.034 -2.572 292 HB2 CYS 40 HB2 CYS 40 0.976 -7.308 -3.366 293 HB3 CYS 40 HB1 CYS 40 0.844 -8.433 -4.711 294 H GLY 41 HN GLY 41 3.578 -8.259 -5.915 295 HA2 GLY 41 HA2 GLY 41 4.219 -9.658 -7.694 296 HA3 GLY 41 HA1 GLY 41 4.832 -10.733 -6.439 297 H GLU 42 HN GLU 42 4.052 -12.743 -6.887 298 HA GLU 42 HA GLU 42 1.424 -13.107 -8.119 299 HB2 GLU 42 HB2 GLU 42 3.208 -14.581 -8.818 300 HB3 GLU 42 HB1 GLU 42 3.538 -15.049 -7.150 301 HG2 GLU 42 HG2 GLU 42 1.502 -16.248 -6.966 302 HG3 GLU 42 HG1 GLU 42 0.836 -15.500 -8.418 303 H ARG 43 HN ARG 43 2.559 -12.759 -4.947 304 HA ARG 43 HA ARG 43 1.040 -14.593 -3.456 305 HB2 ARG 43 HB2 ARG 43 1.518 -11.690 -2.774 306 HB3 ARG 43 HB1 ARG 43 1.094 -12.956 -1.632 307 HG2 ARG 43 HG2 ARG 43 3.188 -14.125 -2.125 308 HG3 ARG 43 HG1 ARG 43 3.605 -12.898 -3.323 309 HD2 ARG 43 HD2 ARG 43 3.354 -11.184 -1.411 310 HD3 ARG 43 HD1 ARG 43 3.380 -12.578 -0.327 311 HE ARG 43 HE ARG 43 5.605 -12.523 -2.223 312 HH11 ARG 43 HH11 ARG 43 7.647 -12.249 -1.290 313 HH12 ARG 43 HH12 ARG 43 7.768 -11.730 0.358 314 HH21 ARG 43 HH21 ARG 43 4.338 -11.548 0.830 315 HH22 ARG 43 HH22 ARG 43 5.895 -11.333 1.559 316 H GLY 44 HN GLY 44 0.062 -11.444 -4.733 317 HA2 GLY 44 HA2 GLY 44 -2.177 -11.072 -5.642 318 HA3 GLY 44 HA1 GLY 44 -2.797 -12.308 -4.548 319 H TYR 45 HN TYR 45 -3.032 -9.146 -5.021 320 HA TYR 45 HA TYR 45 -3.105 -8.469 -2.103 321 HB2 TYR 45 HB2 TYR 45 -2.669 -6.119 -2.790 322 HB3 TYR 45 HB1 TYR 45 -1.349 -7.169 -3.247 323 HD1 TYR 45 HD1 TYR 45 -3.850 -4.874 -4.447 324 HD2 TYR 45 HD2 TYR 45 -1.306 -8.124 -5.587 325 HE1 TYR 45 HE1 TYR 45 -4.115 -4.239 -6.821 326 HE2 TYR 45 HE2 TYR 45 -1.572 -7.503 -7.976 327 HH TYR 45 HH TYR 45 -3.640 -4.756 -8.928 328 H PHE 46 HN PHE 46 -4.625 -6.439 -1.864 329 HA PHE 46 HA PHE 46 -7.103 -6.911 -3.502 330 HB2 PHE 46 HB2 PHE 46 -7.076 -6.098 -0.596 331 HB3 PHE 46 HB1 PHE 46 -8.445 -6.656 -1.551 332 HD1 PHE 46 HD1 PHE 46 -5.532 -7.654 0.404 333 HD2 PHE 46 HD2 PHE 46 -8.577 -9.033 -2.294 334 HE1 PHE 46 HE1 PHE 46 -5.045 -9.998 1.051 335 HE2 PHE 46 HE2 PHE 46 -8.090 -11.376 -1.647 336 HZ PHE 46 HZ PHE 46 -6.324 -11.859 0.026 337 H TYR 47 HN TYR 47 -7.517 -5.142 -4.645 338 HA TYR 47 HA TYR 47 -7.020 -2.444 -3.429 339 HB2 TYR 47 HB2 TYR 47 -5.308 -2.967 -5.160 340 HB3 TYR 47 HB1 TYR 47 -6.602 -3.225 -6.332 341 HD1 TYR 47 HD1 TYR 47 -4.968 -0.712 -4.148 342 HD2 TYR 47 HD2 TYR 47 -7.784 -1.384 -7.323 343 HE1 TYR 47 HE1 TYR 47 -5.076 1.718 -4.569 344 HE2 TYR 47 HE2 TYR 47 -7.883 1.058 -7.749 345 HH TYR 47 HH TYR 47 -5.752 3.156 -6.912 346 H THR 48 HN THR 48 -9.097 -1.742 -3.049 347 HA THR 48 HA THR 48 -10.848 -0.994 -5.121 348 HB THR 48 HB THR 48 -11.439 -3.205 -5.675 349 HG1 THR 48 HG1 THR 48 -13.326 -3.132 -3.698 350 HG21 THR 48 HG21 THR 48 -11.004 -3.732 -2.745 351 HG22 THR 48 HG22 THR 48 -10.367 -4.602 -4.142 352 HG23 THR 48 HG23 THR 48 -12.051 -4.808 -3.669 353 H LYS 49 HN LYS 49 -13.216 -0.782 -4.090 354 HA LYS 49 HA LYS 49 -14.392 0.505 -2.513 355 HB2 LYS 49 HB2 LYS 49 -14.214 -1.937 -1.614 356 HB3 LYS 49 HB1 LYS 49 -13.069 -1.259 -0.460 357 HG2 LYS 49 HG2 LYS 49 -14.787 0.414 0.218 358 HG3 LYS 49 HG1 LYS 49 -15.927 -0.349 -0.887 359 HD2 LYS 49 HD2 LYS 49 -16.478 -1.408 1.121 360 HD3 LYS 49 HD1 LYS 49 -15.320 -2.549 0.444 361 HE2 LYS 49 HE2 LYS 49 -14.856 -2.070 2.834 362 HE3 LYS 49 HE1 LYS 49 -13.524 -1.558 1.801 363 HZ1 LYS 49 HZ1 LYS 49 -13.862 0.580 2.295 364 HZ2 LYS 49 HZ2 LYS 49 -14.747 -0.002 3.624 365 HZ3 LYS 49 HZ3 LYS 49 -15.550 0.451 2.197 366 HA PRO 50 HA PRO 50 -10.139 2.759 -1.799 367 HB2 PRO 50 HB2 PRO 50 -12.139 4.907 -2.324 368 HB3 PRO 50 HB1 PRO 50 -10.522 4.678 -3.016 369 HG2 PRO 50 HG2 PRO 50 -13.053 3.933 -4.152 370 HG3 PRO 50 HG1 PRO 50 -11.438 3.708 -4.845 371 HD2 PRO 50 HD2 PRO 50 -13.078 1.626 -4.049 372 HD3 PRO 50 HD1 PRO 50 -11.307 1.515 -4.143 373 H THR 51 HN THR 51 -13.337 4.086 -0.848 374 HA THR 51 HA THR 51 -12.701 3.743 1.999 375 HB THR 51 HB THR 51 -13.021 6.213 2.454 376 HG1 THR 51 HG1 THR 51 -12.177 6.878 -0.055 377 HG21 THR 51 HG21 THR 51 -10.764 4.993 2.290 378 HG22 THR 51 HG22 THR 51 -10.734 6.746 2.117 379 HG23 THR 51 HG23 THR 51 -10.621 5.719 0.689 Start of MODEL 19 1 H1 GLY 1 HT1 GLY 1 -10.195 3.843 2.660 2 H2 GLY 1 HT2 GLY 1 -9.865 5.212 1.710 3 H3 GLY 1 HT3 GLY 1 -8.787 4.749 2.939 4 HA2 GLY 1 HA2 GLY 1 -9.078 2.435 1.343 5 HA3 GLY 1 HA1 GLY 1 -8.783 3.860 0.309 6 H ILE 2 HN ILE 2 -7.039 2.094 -0.069 7 HA ILE 2 HA ILE 2 -4.629 3.413 0.865 8 HB ILE 2 HB ILE 2 -4.691 1.014 0.200 9 HG12 ILE 2 HG12 ILE 2 -2.865 2.602 -1.625 10 HG13 ILE 2 HG11 ILE 2 -2.589 2.458 0.107 11 HG21 ILE 2 HG21 ILE 2 -4.904 2.078 -2.626 12 HG22 ILE 2 HG22 ILE 2 -6.260 1.393 -1.737 13 HG23 ILE 2 HG23 ILE 2 -4.864 0.389 -2.128 14 HD11 ILE 2 HD11 ILE 2 -1.957 0.564 -1.999 15 HD12 ILE 2 HD12 ILE 2 -2.994 -0.199 -0.801 16 HD13 ILE 2 HD13 ILE 2 -1.477 0.547 -0.309 17 H VAL 3 HN VAL 3 -6.585 3.546 -2.074 18 HA VAL 3 HA VAL 3 -4.918 5.046 -3.758 19 HB VAL 3 HB VAL 3 -7.880 5.551 -3.415 20 HG11 VAL 3 HG11 VAL 3 -7.790 5.981 -5.793 21 HG12 VAL 3 HG12 VAL 3 -6.102 5.474 -5.859 22 HG13 VAL 3 HG13 VAL 3 -6.548 6.948 -4.999 23 HG21 VAL 3 HG21 VAL 3 -6.428 3.210 -4.657 24 HG22 VAL 3 HG22 VAL 3 -8.079 3.639 -5.101 25 HG23 VAL 3 HG23 VAL 3 -7.705 3.173 -3.442 26 H GLU 4 HN GLU 4 -6.977 6.126 -1.102 27 HA GLU 4 HA GLU 4 -6.450 8.940 -1.591 28 HB2 GLU 4 HB2 GLU 4 -7.362 7.819 1.058 29 HB3 GLU 4 HB1 GLU 4 -7.788 9.356 0.301 30 HG2 GLU 4 HG2 GLU 4 -8.867 7.943 -1.564 31 HG3 GLU 4 HG1 GLU 4 -8.722 6.582 -0.450 32 H GLN 5 HN GLN 5 -4.884 6.423 0.282 33 HA GLN 5 HA GLN 5 -3.206 8.399 1.719 34 HB2 GLN 5 HB2 GLN 5 -4.003 6.424 2.933 35 HB3 GLN 5 HB1 GLN 5 -3.211 5.368 1.763 36 HG2 GLN 5 HG2 GLN 5 -1.049 6.027 2.448 37 HG3 GLN 5 HG1 GLN 5 -1.651 7.464 3.264 38 HE21 GLN 5 HE21 GLN 5 -3.774 4.943 3.930 39 HE22 GLN 5 HE22 GLN 5 -3.132 4.444 5.419 40 H CYS 6 HN CYS 6 -2.982 6.170 -0.974 41 HA CYS 6 HA CYS 6 -0.063 6.494 -1.175 42 HB2 CYS 6 HB2 CYS 6 -2.147 4.816 -2.530 43 HB3 CYS 6 HB1 CYS 6 -0.559 4.987 -3.261 44 H CYS 7 HN CYS 7 -2.978 7.666 -2.791 45 HA CYS 7 HA CYS 7 -1.324 8.889 -4.941 46 HB2 CYS 7 HB2 CYS 7 -3.526 7.681 -5.395 47 HB3 CYS 7 HB1 CYS 7 -4.327 9.043 -4.634 48 H THR 8 HN THR 8 -4.035 10.109 -2.938 49 HA THR 8 HA THR 8 -3.386 12.842 -3.240 50 HB THR 8 HB THR 8 -4.515 11.613 -0.716 51 HG1 THR 8 HG1 THR 8 -6.180 12.422 -2.790 52 HG21 THR 8 HG21 THR 8 -5.831 13.719 -0.735 53 HG22 THR 8 HG22 THR 8 -4.915 14.235 -2.152 54 HG23 THR 8 HG23 THR 8 -4.092 13.981 -0.613 55 H SER 9 HN SER 9 -1.779 10.343 -1.657 56 HA SER 9 HA SER 9 0.187 12.208 -0.505 57 HB2 SER 9 HB2 SER 9 -1.006 10.111 1.289 58 HB3 SER 9 HB1 SER 9 -0.144 11.579 1.728 59 HG SER 9 HG SER 9 -1.911 12.771 1.223 60 H ILE 10 HN ILE 10 1.898 10.620 0.709 61 HA ILE 10 HA ILE 10 2.440 8.396 -1.229 62 HB ILE 10 HB ILE 10 4.348 9.763 0.686 63 HG12 ILE 10 HG12 ILE 10 3.930 10.235 -2.276 64 HG13 ILE 10 HG11 ILE 10 3.437 11.322 -0.993 65 HG21 ILE 10 HG21 ILE 10 4.919 8.116 -1.790 66 HG22 ILE 10 HG22 ILE 10 4.896 7.428 -0.166 67 HG23 ILE 10 HG23 ILE 10 6.072 8.671 -0.580 68 HD11 ILE 10 HD11 ILE 10 5.485 12.223 -0.885 69 HD12 ILE 10 HD12 ILE 10 5.955 11.228 -2.262 70 HD13 ILE 10 HD13 ILE 10 6.221 10.645 -0.623 71 H CYS 11 HN CYS 11 2.658 6.307 -0.460 72 HA CYS 11 HA CYS 11 2.064 5.884 2.445 73 HB2 CYS 11 HB2 CYS 11 1.745 3.414 1.389 74 HB3 CYS 11 HB1 CYS 11 0.456 4.607 1.379 75 H SER 12 HN SER 12 3.231 4.200 3.566 76 HA SER 12 HA SER 12 6.052 3.943 2.631 77 HB2 SER 12 HB2 SER 12 4.724 3.579 5.323 78 HB3 SER 12 HB1 SER 12 6.392 3.110 5.015 79 HG SER 12 HG SER 12 5.240 5.691 4.713 80 H LEU 13 HN LEU 13 7.010 1.873 2.469 81 HA LEU 13 HA LEU 13 5.602 -0.209 1.361 82 HB2 LEU 13 HB2 LEU 13 8.205 0.202 2.023 83 HB3 LEU 13 HB1 LEU 13 7.805 -1.008 3.230 84 HG LEU 13 HG LEU 13 6.947 -2.483 1.400 85 HD11 LEU 13 HD11 LEU 13 6.400 -1.285 -0.487 86 HD12 LEU 13 HD12 LEU 13 8.063 -1.645 -0.925 87 HD13 LEU 13 HD13 LEU 13 7.658 -0.079 -0.226 88 HD21 LEU 13 HD21 LEU 13 9.222 -2.738 2.277 89 HD22 LEU 13 HD22 LEU 13 9.810 -1.514 1.151 90 HD23 LEU 13 HD23 LEU 13 9.209 -3.057 0.542 91 H TYR 14 HN TYR 14 5.918 0.492 4.818 92 HA TYR 14 HA TYR 14 4.849 -2.034 5.697 93 HB2 TYR 14 HB2 TYR 14 5.257 -1.161 7.761 94 HB3 TYR 14 HB1 TYR 14 5.840 0.281 6.942 95 HD1 TYR 14 HD1 TYR 14 4.748 2.319 7.291 96 HD2 TYR 14 HD2 TYR 14 2.696 -1.319 8.172 97 HE1 TYR 14 HE1 TYR 14 2.896 3.627 8.303 98 HE2 TYR 14 HE2 TYR 14 0.836 -0.036 9.187 99 HH TYR 14 HH TYR 14 0.209 2.008 9.943 100 H GLN 15 HN GLN 15 3.359 0.975 4.639 101 HA GLN 15 HA GLN 15 0.677 0.115 5.379 102 HB2 GLN 15 HB2 GLN 15 1.449 2.283 3.402 103 HB3 GLN 15 HB1 GLN 15 -0.065 2.125 4.280 104 HG2 GLN 15 HG2 GLN 15 1.054 2.548 6.392 105 HG3 GLN 15 HG1 GLN 15 2.624 2.567 5.588 106 HE21 GLN 15 HE21 GLN 15 0.488 3.928 3.439 107 HE22 GLN 15 HE22 GLN 15 0.700 5.562 3.835 108 H LEU 16 HN LEU 16 2.775 0.008 2.563 109 HA LEU 16 HA LEU 16 0.733 -0.828 0.706 110 HB2 LEU 16 HB2 LEU 16 3.203 0.201 0.406 111 HB3 LEU 16 HB1 LEU 16 3.631 -1.495 0.285 112 HG LEU 16 HG LEU 16 2.001 -1.776 -1.540 113 HD11 LEU 16 HD11 LEU 16 1.361 0.727 -2.466 114 HD12 LEU 16 HD12 LEU 16 1.238 0.962 -0.723 115 HD13 LEU 16 HD13 LEU 16 0.293 -0.294 -1.515 116 HD21 LEU 16 HD21 LEU 16 4.480 -0.442 -1.655 117 HD22 LEU 16 HD22 LEU 16 3.414 0.504 -2.684 118 HD23 LEU 16 HD23 LEU 16 3.624 -1.213 -2.989 119 H GLU 17 HN GLU 17 3.351 -2.531 2.429 120 HA GLU 17 HA GLU 17 2.669 -5.151 1.513 121 HB2 GLU 17 HB2 GLU 17 3.861 -4.331 4.190 122 HB3 GLU 17 HB1 GLU 17 3.914 -5.953 3.498 123 HG2 GLU 17 HG2 GLU 17 5.435 -5.342 1.832 124 HG3 GLU 17 HG1 GLU 17 4.998 -3.635 1.913 125 H ASN 18 HN ASN 18 1.337 -3.029 3.869 126 HA ASN 18 HA ASN 18 -0.105 -4.881 5.488 127 HB2 ASN 18 HB2 ASN 18 0.015 -1.995 5.029 128 HB3 ASN 18 HB1 ASN 18 -1.590 -2.497 5.467 129 HD21 ASN 18 HD21 ASN 18 0.666 -1.022 6.970 130 HD22 ASN 18 HD22 ASN 18 0.717 -1.863 8.434 131 H TYR 19 HN TYR 19 -0.926 -3.380 2.349 132 HA TYR 19 HA TYR 19 -3.659 -4.493 2.440 133 HB2 TYR 19 HB2 TYR 19 -2.105 -3.143 0.215 134 HB3 TYR 19 HB1 TYR 19 -3.791 -3.646 0.094 135 HD1 TYR 19 HD1 TYR 19 -5.487 -2.668 1.726 136 HD2 TYR 19 HD2 TYR 19 -1.514 -1.125 1.284 137 HE1 TYR 19 HE1 TYR 19 -6.192 -0.556 2.821 138 HE2 TYR 19 HE2 TYR 19 -2.209 0.992 2.381 139 HH TYR 19 HH TYR 19 -4.462 1.451 4.222 140 H CYS 20 HN CYS 20 -0.662 -5.800 1.957 141 HA CYS 20 HA CYS 20 -1.594 -7.769 -0.075 142 HB2 CYS 20 HB2 CYS 20 0.521 -6.841 -0.656 143 HB3 CYS 20 HB1 CYS 20 1.145 -7.070 0.979 144 H ASN 21 HN ASN 21 -1.595 -9.976 0.392 145 HA ASN 21 HA ASN 21 -2.242 -10.758 3.044 146 HB2 ASN 21 HB2 ASN 21 -1.432 -12.268 0.557 147 HB3 ASN 21 HB1 ASN 21 -1.779 -13.102 2.064 148 HD21 ASN 21 HD21 ASN 21 -3.531 -13.813 0.169 149 HD22 ASN 21 HD22 ASN 21 -5.015 -13.001 0.313 150 H1 PHE 22 HT1 PHE 22 12.080 2.226 0.834 151 H2 PHE 22 HT2 PHE 22 13.212 1.524 -0.221 152 H3 PHE 22 HT3 PHE 22 11.930 0.595 0.393 153 HA PHE 22 HA PHE 22 11.802 1.520 -2.003 154 HB2 PHE 22 HB2 PHE 22 9.993 0.469 -0.330 155 HB3 PHE 22 HB1 PHE 22 9.341 2.104 -0.369 156 HD1 PHE 22 HD1 PHE 22 8.206 2.942 -2.318 157 HD2 PHE 22 HD2 PHE 22 10.267 -0.823 -2.454 158 HE1 PHE 22 HE1 PHE 22 7.164 2.450 -4.515 159 HE2 PHE 22 HE2 PHE 22 9.228 -1.313 -4.650 160 HZ PHE 22 HZ PHE 22 7.675 0.322 -5.681 161 H VAL 23 HN VAL 23 11.190 3.408 -3.187 162 HA VAL 23 HA VAL 23 11.998 5.907 -1.960 163 HB VAL 23 HB VAL 23 12.306 5.380 -4.398 164 HG11 VAL 23 HG11 VAL 23 9.354 6.019 -4.641 165 HG12 VAL 23 HG12 VAL 23 9.951 4.361 -4.570 166 HG13 VAL 23 HG13 VAL 23 10.441 5.419 -5.894 167 HG21 VAL 23 HG21 VAL 23 10.587 7.824 -3.865 168 HG22 VAL 23 HG22 VAL 23 11.794 7.638 -5.137 169 HG23 VAL 23 HG23 VAL 23 12.297 7.714 -3.449 170 H ASN 24 HN ASN 24 10.649 7.774 -1.641 171 HA ASN 24 HA ASN 24 7.831 7.077 -0.965 172 HB2 ASN 24 HB2 ASN 24 8.926 9.735 -0.200 173 HB3 ASN 24 HB1 ASN 24 7.989 8.595 0.745 174 HD21 ASN 24 HD21 ASN 24 9.114 7.308 2.236 175 HD22 ASN 24 HD22 ASN 24 10.806 7.207 2.321 176 H GLN 25 HN GLN 25 6.912 7.260 -3.030 177 HA GLN 25 HA GLN 25 6.742 10.033 -4.124 178 HB2 GLN 25 HB2 GLN 25 8.286 8.476 -5.460 179 HB3 GLN 25 HB1 GLN 25 6.837 7.549 -5.855 180 HG2 GLN 25 HG2 GLN 25 7.031 10.524 -6.349 181 HG3 GLN 25 HG1 GLN 25 7.517 9.328 -7.549 182 HE21 GLN 25 HE21 GLN 25 5.705 7.449 -7.678 183 HE22 GLN 25 HE22 GLN 25 4.132 8.040 -7.868 184 H HIS 26 HN HIS 26 4.676 10.635 -4.744 185 HA HIS 26 HA HIS 26 2.455 9.129 -3.766 186 HB2 HIS 26 HB2 HIS 26 2.301 11.275 -5.885 187 HB3 HIS 26 HB1 HIS 26 1.123 10.883 -4.639 188 HD1 HIS 26 HD1 HIS 26 4.798 11.966 -4.725 189 HD2 HIS 26 HD2 HIS 26 1.360 12.483 -2.494 190 HE1 HIS 26 HE1 HIS 26 5.392 13.535 -2.823 191 HE2 HIS 26 HE2 HIS 26 3.267 13.949 -1.525 192 H LEU 27 HN LEU 27 1.906 7.195 -4.665 193 HA LEU 27 HA LEU 27 2.210 6.768 -7.576 194 HB2 LEU 27 HB2 LEU 27 1.059 4.841 -5.564 195 HB3 LEU 27 HB1 LEU 27 1.767 4.481 -7.124 196 HG LEU 27 HG LEU 27 3.394 5.759 -4.922 197 HD11 LEU 27 HD11 LEU 27 3.113 2.807 -5.520 198 HD12 LEU 27 HD12 LEU 27 2.443 3.620 -4.105 199 HD13 LEU 27 HD13 LEU 27 4.191 3.533 -4.328 200 HD21 LEU 27 HD21 LEU 27 4.331 5.890 -7.167 201 HD22 LEU 27 HD22 LEU 27 4.053 4.166 -7.414 202 HD23 LEU 27 HD23 LEU 27 5.241 4.707 -6.230 203 H CYS 28 HN CYS 28 0.456 6.285 -8.923 204 HA CYS 28 HA CYS 28 -2.285 6.318 -7.891 205 HB2 CYS 28 HB2 CYS 28 -1.372 8.462 -9.837 206 HB3 CYS 28 HB1 CYS 28 -3.002 8.232 -9.220 207 H GLY 29 HN GLY 29 -3.754 6.366 -10.113 208 HA2 GLY 29 HA2 GLY 29 -4.308 5.013 -11.966 209 HA3 GLY 29 HA1 GLY 29 -2.683 5.398 -12.531 210 H SER 30 HN SER 30 -2.155 3.328 -13.280 211 HA SER 30 HA SER 30 -2.549 0.980 -11.589 212 HB2 SER 30 HB2 SER 30 -0.717 1.060 -13.981 213 HB3 SER 30 HB1 SER 30 -1.683 -0.282 -13.367 214 HG SER 30 HG SER 30 -3.246 1.836 -13.937 215 H ASP 31 HN ASP 31 -0.098 3.398 -11.924 216 HA ASP 31 HA ASP 31 2.283 2.086 -11.263 217 HB2 ASP 31 HB2 ASP 31 1.356 4.650 -9.927 218 HB3 ASP 31 HB1 ASP 31 3.016 4.142 -10.214 219 H LEU 32 HN LEU 32 -0.048 3.417 -8.930 220 HA LEU 32 HA LEU 32 1.002 2.385 -6.548 221 HB2 LEU 32 HB2 LEU 32 -0.882 3.895 -6.543 222 HB3 LEU 32 HB1 LEU 32 -1.860 2.761 -7.470 223 HG LEU 32 HG LEU 32 -1.956 1.219 -5.617 224 HD11 LEU 32 HD11 LEU 32 0.190 1.319 -4.622 225 HD12 LEU 32 HD12 LEU 32 -0.866 2.032 -3.405 226 HD13 LEU 32 HD13 LEU 32 0.116 3.068 -4.429 227 HD21 LEU 32 HD21 LEU 32 -3.099 2.647 -3.960 228 HD22 LEU 32 HD22 LEU 32 -3.524 3.119 -5.606 229 HD23 LEU 32 HD23 LEU 32 -2.366 4.071 -4.690 230 H VAL 33 HN VAL 33 -1.480 0.814 -8.617 231 HA VAL 33 HA VAL 33 -1.619 -1.642 -7.248 232 HB VAL 33 HB VAL 33 -1.839 -0.990 -10.197 233 HG11 VAL 33 HG11 VAL 33 -2.033 -3.651 -8.778 234 HG12 VAL 33 HG12 VAL 33 -1.193 -3.262 -10.278 235 HG13 VAL 33 HG13 VAL 33 -2.953 -3.348 -10.253 236 HG21 VAL 33 HG21 VAL 33 -4.230 -1.408 -9.755 237 HG22 VAL 33 HG22 VAL 33 -3.595 -0.133 -8.714 238 HG23 VAL 33 HG23 VAL 33 -3.851 -1.754 -8.068 239 H GLU 34 HN GLU 34 0.343 -0.909 -10.109 240 HA GLU 34 HA GLU 34 1.806 -3.190 -10.352 241 HB2 GLU 34 HB2 GLU 34 2.098 -0.455 -11.149 242 HB3 GLU 34 HB1 GLU 34 3.683 -1.014 -10.635 243 HG2 GLU 34 HG2 GLU 34 3.465 -2.965 -12.158 244 HG3 GLU 34 HG1 GLU 34 1.897 -2.354 -12.688 245 H ALA 35 HN ALA 35 2.373 -0.591 -8.016 246 HA ALA 35 HA ALA 35 4.747 -1.635 -6.853 247 HB1 ALA 35 HB1 ALA 35 2.569 -0.278 -5.257 248 HB2 ALA 35 HB2 ALA 35 3.557 0.626 -6.404 249 HB3 ALA 35 HB3 ALA 35 4.315 -0.177 -5.030 250 H LEU 36 HN LEU 36 1.378 -2.013 -5.649 251 HA LEU 36 HA LEU 36 1.944 -4.017 -3.766 252 HB2 LEU 36 HB2 LEU 36 -0.481 -3.693 -5.552 253 HB3 LEU 36 HB1 LEU 36 -0.414 -4.824 -4.203 254 HG LEU 36 HG LEU 36 0.240 -1.910 -3.748 255 HD11 LEU 36 HD11 LEU 36 -1.969 -2.038 -4.915 256 HD12 LEU 36 HD12 LEU 36 -2.098 -1.466 -3.253 257 HD13 LEU 36 HD13 LEU 36 -2.530 -3.126 -3.647 258 HD21 LEU 36 HD21 LEU 36 -1.037 -4.053 -2.025 259 HD22 LEU 36 HD22 LEU 36 -0.572 -2.440 -1.495 260 HD23 LEU 36 HD23 LEU 36 0.661 -3.603 -1.962 261 H TYR 37 HN TYR 37 1.206 -4.331 -7.233 262 HA TYR 37 HA TYR 37 1.367 -7.159 -7.399 263 HB2 TYR 37 HB2 TYR 37 0.684 -5.508 -9.233 264 HB3 TYR 37 HB1 TYR 37 2.393 -5.223 -9.491 265 HD1 TYR 37 HD1 TYR 37 -0.337 -7.662 -9.794 266 HD2 TYR 37 HD2 TYR 37 3.860 -6.970 -10.395 267 HE1 TYR 37 HE1 TYR 37 -0.201 -9.704 -11.194 268 HE2 TYR 37 HE2 TYR 37 3.996 -9.012 -11.796 269 HH TYR 37 HH TYR 37 2.870 -10.984 -12.282 270 H LEU 38 HN LEU 38 3.743 -4.685 -6.964 271 HA LEU 38 HA LEU 38 6.049 -6.415 -7.516 272 HB2 LEU 38 HB2 LEU 38 5.689 -3.761 -7.735 273 HB3 LEU 38 HB1 LEU 38 6.236 -3.789 -6.075 274 HG LEU 38 HG LEU 38 8.217 -5.207 -6.945 275 HD11 LEU 38 HD11 LEU 38 7.456 -5.734 -9.173 276 HD12 LEU 38 HD12 LEU 38 8.769 -4.575 -9.343 277 HD13 LEU 38 HD13 LEU 38 7.100 -4.042 -9.513 278 HD21 LEU 38 HD21 LEU 38 9.404 -3.115 -7.604 279 HD22 LEU 38 HD22 LEU 38 8.413 -2.897 -6.162 280 HD23 LEU 38 HD23 LEU 38 7.845 -2.299 -7.720 281 H VAL 39 HN VAL 39 4.984 -4.539 -4.679 282 HA VAL 39 HA VAL 39 6.528 -5.803 -2.710 283 HB VAL 39 HB VAL 39 3.694 -4.734 -2.408 284 HG11 VAL 39 HG11 VAL 39 4.733 -6.029 -0.468 285 HG12 VAL 39 HG12 VAL 39 4.218 -4.381 -0.126 286 HG13 VAL 39 HG13 VAL 39 5.927 -4.735 -0.377 287 HG21 VAL 39 HG21 VAL 39 4.969 -3.023 -3.453 288 HG22 VAL 39 HG22 VAL 39 6.379 -3.362 -2.451 289 HG23 VAL 39 HG23 VAL 39 4.946 -2.638 -1.734 290 H CYS 40 HN CYS 40 3.130 -6.485 -3.514 291 HA CYS 40 HA CYS 40 3.032 -8.859 -1.908 292 HB2 CYS 40 HB2 CYS 40 1.146 -7.255 -2.872 293 HB3 CYS 40 HB1 CYS 40 1.126 -8.428 -4.183 294 H GLY 41 HN GLY 41 3.879 -8.295 -5.272 295 HA2 GLY 41 HA2 GLY 41 4.603 -9.808 -6.923 296 HA3 GLY 41 HA1 GLY 41 5.254 -10.731 -5.569 297 H GLU 42 HN GLU 42 4.589 -12.811 -5.810 298 HA GLU 42 HA GLU 42 2.017 -13.442 -7.068 299 HB2 GLU 42 HB2 GLU 42 2.710 -15.769 -6.825 300 HB3 GLU 42 HB1 GLU 42 4.056 -14.820 -7.458 301 HG2 GLU 42 HG2 GLU 42 4.858 -14.567 -5.060 302 HG3 GLU 42 HG1 GLU 42 3.652 -15.775 -4.615 303 H ARG 43 HN ARG 43 2.873 -12.569 -3.955 304 HA ARG 43 HA ARG 43 1.412 -14.441 -2.370 305 HB2 ARG 43 HB2 ARG 43 1.899 -11.501 -1.885 306 HB3 ARG 43 HB1 ARG 43 1.317 -12.631 -0.674 307 HG2 ARG 43 HG2 ARG 43 3.385 -13.936 -0.885 308 HG3 ARG 43 HG1 ARG 43 3.961 -12.837 -2.139 309 HD2 ARG 43 HD2 ARG 43 3.558 -10.970 -0.328 310 HD3 ARG 43 HD1 ARG 43 3.612 -12.324 0.807 311 HE ARG 43 HE ARG 43 5.869 -12.642 -0.802 312 HH11 ARG 43 HH11 ARG 43 7.873 -11.774 -0.212 313 HH12 ARG 43 HH12 ARG 43 7.931 -10.429 0.878 314 HH21 ARG 43 HH21 ARG 43 4.487 -10.230 1.235 315 HH22 ARG 43 HH22 ARG 43 6.014 -9.555 1.697 316 H GLY 44 HN GLY 44 0.412 -11.615 -4.182 317 HA2 GLY 44 HA2 GLY 44 -1.797 -11.281 -5.063 318 HA3 GLY 44 HA1 GLY 44 -2.416 -12.470 -3.919 319 H TYR 45 HN TYR 45 -2.734 -9.345 -4.597 320 HA TYR 45 HA TYR 45 -2.962 -8.506 -1.730 321 HB2 TYR 45 HB2 TYR 45 -2.564 -6.183 -2.533 322 HB3 TYR 45 HB1 TYR 45 -1.188 -7.212 -2.849 323 HD1 TYR 45 HD1 TYR 45 -3.634 -5.040 -4.320 324 HD2 TYR 45 HD2 TYR 45 -1.029 -8.342 -5.123 325 HE1 TYR 45 HE1 TYR 45 -3.779 -4.557 -6.741 326 HE2 TYR 45 HE2 TYR 45 -1.176 -7.875 -7.558 327 HH TYR 45 HH TYR 45 -3.417 -6.262 -8.975 328 H PHE 46 HN PHE 46 -4.542 -6.501 -1.689 329 HA PHE 46 HA PHE 46 -6.912 -7.127 -3.428 330 HB2 PHE 46 HB2 PHE 46 -8.259 -7.410 -1.600 331 HB3 PHE 46 HB1 PHE 46 -6.760 -7.677 -0.738 332 HD1 PHE 46 HD1 PHE 46 -6.334 -6.382 1.151 333 HD2 PHE 46 HD2 PHE 46 -8.987 -4.880 -1.857 334 HE1 PHE 46 HE1 PHE 46 -6.841 -4.423 2.588 335 HE2 PHE 46 HE2 PHE 46 -9.503 -2.914 -0.428 336 HZ PHE 46 HZ PHE 46 -8.428 -2.688 1.797 337 H TYR 47 HN TYR 47 -7.210 -5.462 -4.734 338 HA TYR 47 HA TYR 47 -6.906 -2.678 -3.656 339 HB2 TYR 47 HB2 TYR 47 -4.993 -3.260 -5.134 340 HB3 TYR 47 HB1 TYR 47 -6.132 -3.632 -6.430 341 HD1 TYR 47 HD1 TYR 47 -4.777 -0.939 -4.279 342 HD2 TYR 47 HD2 TYR 47 -7.280 -1.890 -7.639 343 HE1 TYR 47 HE1 TYR 47 -4.898 1.451 -4.867 344 HE2 TYR 47 HE2 TYR 47 -7.390 0.516 -8.234 345 HH TYR 47 HH TYR 47 -5.459 2.683 -7.480 346 H THR 48 HN THR 48 -8.993 -1.924 -3.599 347 HA THR 48 HA THR 48 -10.487 -1.597 -6.032 348 HB THR 48 HB THR 48 -11.018 -3.938 -5.858 349 HG1 THR 48 HG1 THR 48 -12.919 -3.209 -6.346 350 HG21 THR 48 HG21 THR 48 -10.444 -4.532 -3.653 351 HG22 THR 48 HG22 THR 48 -12.197 -4.710 -3.688 352 HG23 THR 48 HG23 THR 48 -11.471 -3.282 -2.950 353 H LYS 49 HN LYS 49 -12.936 -2.104 -4.002 354 HA LYS 49 HA LYS 49 -14.319 -0.581 -2.873 355 HB2 LYS 49 HB2 LYS 49 -12.496 -1.353 -1.190 356 HB3 LYS 49 HB1 LYS 49 -11.807 0.252 -1.426 357 HG2 LYS 49 HG2 LYS 49 -14.144 1.166 -0.912 358 HG3 LYS 49 HG1 LYS 49 -14.538 -0.458 -0.349 359 HD2 LYS 49 HD2 LYS 49 -12.216 1.198 0.684 360 HD3 LYS 49 HD1 LYS 49 -13.774 1.050 1.497 361 HE2 LYS 49 HE2 LYS 49 -13.382 -1.498 1.400 362 HE3 LYS 49 HE1 LYS 49 -11.710 -1.100 1.008 363 HZ1 LYS 49 HZ1 LYS 49 -11.387 -0.079 3.045 364 HZ2 LYS 49 HZ2 LYS 49 -12.348 -1.421 3.452 365 HZ3 LYS 49 HZ3 LYS 49 -13.046 0.124 3.335 366 HA PRO 50 HA PRO 50 -12.400 2.705 -5.904 367 HB2 PRO 50 HB2 PRO 50 -15.353 2.928 -6.232 368 HB3 PRO 50 HB1 PRO 50 -14.086 2.821 -7.468 369 HG2 PRO 50 HG2 PRO 50 -15.744 0.711 -6.446 370 HG3 PRO 50 HG1 PRO 50 -14.480 0.603 -7.683 371 HD2 PRO 50 HD2 PRO 50 -14.320 -0.593 -5.189 372 HD3 PRO 50 HD1 PRO 50 -12.910 -0.166 -6.182 373 H THR 51 HN THR 51 -11.760 4.257 -4.381 374 HA THR 51 HA THR 51 -13.690 5.399 -2.491 375 HB THR 51 HB THR 51 -11.825 6.724 -1.693 376 HG1 THR 51 HG1 THR 51 -10.006 6.973 -2.859 377 HG21 THR 51 HG21 THR 51 -10.362 4.991 -1.007 378 HG22 THR 51 HG22 THR 51 -10.618 4.076 -2.492 379 HG23 THR 51 HG23 THR 51 -11.903 4.182 -1.289 Start of MODEL 20 1 H1 GLY 1 HT1 GLY 1 -8.654 2.595 -0.740 2 H2 GLY 1 HT2 GLY 1 -9.949 3.674 -0.527 3 H3 GLY 1 HT3 GLY 1 -9.833 2.283 0.441 4 HA2 GLY 1 HA2 GLY 1 -9.122 4.722 1.319 5 HA3 GLY 1 HA1 GLY 1 -8.200 3.244 1.722 6 H ILE 2 HN ILE 2 -6.889 2.227 -0.151 7 HA ILE 2 HA ILE 2 -4.429 3.372 0.867 8 HB ILE 2 HB ILE 2 -4.577 0.996 0.241 9 HG12 ILE 2 HG12 ILE 2 -2.738 2.449 -1.671 10 HG13 ILE 2 HG11 ILE 2 -2.416 2.311 0.049 11 HG21 ILE 2 HG21 ILE 2 -6.175 1.137 -1.583 12 HG22 ILE 2 HG22 ILE 2 -4.693 0.404 -2.191 13 HG23 ILE 2 HG23 ILE 2 -5.053 2.086 -2.552 14 HD11 ILE 2 HD11 ILE 2 -2.964 -0.329 -0.785 15 HD12 ILE 2 HD12 ILE 2 -1.394 0.364 -0.400 16 HD13 ILE 2 HD13 ILE 2 -1.966 0.367 -2.062 17 H VAL 3 HN VAL 3 -6.499 3.991 -1.778 18 HA VAL 3 HA VAL 3 -4.619 5.163 -3.603 19 HB VAL 3 HB VAL 3 -7.534 5.895 -3.285 20 HG11 VAL 3 HG11 VAL 3 -6.069 7.123 -4.901 21 HG12 VAL 3 HG12 VAL 3 -7.411 6.264 -5.658 22 HG13 VAL 3 HG13 VAL 3 -5.782 5.591 -5.724 23 HG21 VAL 3 HG21 VAL 3 -6.255 3.418 -4.463 24 HG22 VAL 3 HG22 VAL 3 -7.885 3.943 -4.888 25 HG23 VAL 3 HG23 VAL 3 -7.505 3.503 -3.222 26 H GLU 4 HN GLU 4 -6.539 6.416 -0.940 27 HA GLU 4 HA GLU 4 -5.853 9.186 -1.490 28 HB2 GLU 4 HB2 GLU 4 -6.772 8.176 1.199 29 HB3 GLU 4 HB1 GLU 4 -7.126 9.717 0.413 30 HG2 GLU 4 HG2 GLU 4 -8.311 8.289 -1.403 31 HG3 GLU 4 HG1 GLU 4 -8.252 6.986 -0.214 32 H GLN 5 HN GLN 5 -4.278 6.582 0.162 33 HA GLN 5 HA GLN 5 -2.552 8.410 1.728 34 HB2 GLN 5 HB2 GLN 5 -2.469 5.390 1.450 35 HB3 GLN 5 HB1 GLN 5 -1.564 6.352 2.620 36 HG2 GLN 5 HG2 GLN 5 -3.706 7.181 3.566 37 HG3 GLN 5 HG1 GLN 5 -4.584 6.154 2.432 38 HE21 GLN 5 HE21 GLN 5 -1.796 4.494 3.201 39 HE22 GLN 5 HE22 GLN 5 -2.382 3.548 4.482 40 H CYS 6 HN CYS 6 -2.321 6.301 -1.132 41 HA CYS 6 HA CYS 6 0.556 6.925 -1.395 42 HB2 CYS 6 HB2 CYS 6 -1.089 5.279 -3.304 43 HB3 CYS 6 HB1 CYS 6 0.621 5.154 -2.922 44 H CYS 7 HN CYS 7 -2.521 7.714 -2.957 45 HA CYS 7 HA CYS 7 -1.090 9.090 -5.158 46 HB2 CYS 7 HB2 CYS 7 -3.240 7.686 -5.431 47 HB3 CYS 7 HB1 CYS 7 -4.077 9.061 -4.735 48 H THR 8 HN THR 8 -3.757 10.075 -2.960 49 HA THR 8 HA THR 8 -3.319 12.854 -3.341 50 HB THR 8 HB THR 8 -4.340 11.667 -0.756 51 HG1 THR 8 HG1 THR 8 -5.180 11.040 -3.178 52 HG21 THR 8 HG21 THR 8 -5.311 13.991 -2.411 53 HG22 THR 8 HG22 THR 8 -4.121 14.144 -1.117 54 HG23 THR 8 HG23 THR 8 -5.757 13.593 -0.753 55 H SER 9 HN SER 9 -1.378 10.538 -1.983 56 HA SER 9 HA SER 9 0.447 12.530 -0.868 57 HB2 SER 9 HB2 SER 9 -1.060 12.091 1.031 58 HB3 SER 9 HB1 SER 9 -0.741 10.377 0.902 59 HG SER 9 HG SER 9 0.913 12.473 1.755 60 H ILE 10 HN ILE 10 1.688 10.352 0.744 61 HA ILE 10 HA ILE 10 2.706 8.576 -1.440 62 HB ILE 10 HB ILE 10 4.229 10.012 0.737 63 HG12 ILE 10 HG12 ILE 10 4.327 10.364 -2.268 64 HG13 ILE 10 HG11 ILE 10 3.467 11.409 -1.159 65 HG21 ILE 10 HG21 ILE 10 5.232 7.828 0.287 66 HG22 ILE 10 HG22 ILE 10 6.229 9.070 -0.464 67 HG23 ILE 10 HG23 ILE 10 5.133 8.107 -1.451 68 HD11 ILE 10 HD11 ILE 10 6.082 11.166 -0.097 69 HD12 ILE 10 HD12 ILE 10 5.340 12.582 -0.831 70 HD13 ILE 10 HD13 ILE 10 6.253 11.449 -1.827 71 H CYS 11 HN CYS 11 3.055 6.434 -0.766 72 HA CYS 11 HA CYS 11 2.172 5.783 2.027 73 HB2 CYS 11 HB2 CYS 11 2.082 4.224 -0.559 74 HB3 CYS 11 HB1 CYS 11 1.823 3.464 1.012 75 H SER 12 HN SER 12 3.338 4.239 3.226 76 HA SER 12 HA SER 12 6.191 3.910 2.400 77 HB2 SER 12 HB2 SER 12 4.815 3.667 5.087 78 HB3 SER 12 HB1 SER 12 6.509 3.276 4.816 79 HG SER 12 HG SER 12 6.856 5.407 4.196 80 H LEU 13 HN LEU 13 7.091 1.825 2.326 81 HA LEU 13 HA LEU 13 5.642 -0.284 1.335 82 HB2 LEU 13 HB2 LEU 13 8.256 0.113 1.972 83 HB3 LEU 13 HB1 LEU 13 7.837 -1.037 3.231 84 HG LEU 13 HG LEU 13 6.959 -2.581 1.477 85 HD11 LEU 13 HD11 LEU 13 6.397 -1.513 -0.466 86 HD12 LEU 13 HD12 LEU 13 8.075 -1.808 -0.898 87 HD13 LEU 13 HD13 LEU 13 7.595 -0.241 -0.249 88 HD21 LEU 13 HD21 LEU 13 9.827 -1.630 1.218 89 HD22 LEU 13 HD22 LEU 13 9.231 -3.151 0.554 90 HD23 LEU 13 HD23 LEU 13 9.221 -2.886 2.298 91 H TYR 14 HN TYR 14 5.998 0.561 4.760 92 HA TYR 14 HA TYR 14 4.881 -1.897 5.751 93 HB2 TYR 14 HB2 TYR 14 5.289 -0.939 7.776 94 HB3 TYR 14 HB1 TYR 14 5.900 0.456 6.896 95 HD1 TYR 14 HD1 TYR 14 4.830 2.523 7.130 96 HD2 TYR 14 HD2 TYR 14 2.728 -1.040 8.185 97 HE1 TYR 14 HE1 TYR 14 2.989 3.903 8.060 98 HE2 TYR 14 HE2 TYR 14 0.879 0.317 9.121 99 HH TYR 14 HH TYR 14 0.351 3.411 8.441 100 H GLN 15 HN GLN 15 3.434 1.079 4.548 101 HA GLN 15 HA GLN 15 0.744 0.302 5.332 102 HB2 GLN 15 HB2 GLN 15 1.557 2.345 3.236 103 HB3 GLN 15 HB1 GLN 15 0.026 2.249 4.101 104 HG2 GLN 15 HG2 GLN 15 1.125 2.760 6.206 105 HG3 GLN 15 HG1 GLN 15 2.703 2.728 5.420 106 HE21 GLN 15 HE21 GLN 15 0.608 4.005 3.186 107 HE22 GLN 15 HE22 GLN 15 0.827 5.655 3.509 108 H LEU 16 HN LEU 16 2.820 0.022 2.510 109 HA LEU 16 HA LEU 16 0.771 -0.916 0.715 110 HB2 LEU 16 HB2 LEU 16 3.254 0.057 0.354 111 HB3 LEU 16 HB1 LEU 16 3.661 -1.646 0.346 112 HG LEU 16 HG LEU 16 2.060 -2.031 -1.475 113 HD11 LEU 16 HD11 LEU 16 0.342 -0.562 -1.548 114 HD12 LEU 16 HD12 LEU 16 1.406 0.398 -2.558 115 HD13 LEU 16 HD13 LEU 16 1.274 0.751 -0.837 116 HD21 LEU 16 HD21 LEU 16 3.667 -1.520 -2.959 117 HD22 LEU 16 HD22 LEU 16 4.531 -0.715 -1.651 118 HD23 LEU 16 HD23 LEU 16 3.477 0.207 -2.711 119 H GLU 17 HN GLU 17 3.366 -2.548 2.538 120 HA GLU 17 HA GLU 17 2.635 -5.206 1.775 121 HB2 GLU 17 HB2 GLU 17 3.879 -4.268 4.387 122 HB3 GLU 17 HB1 GLU 17 3.915 -5.917 3.763 123 HG2 GLU 17 HG2 GLU 17 5.409 -5.382 2.046 124 HG3 GLU 17 HG1 GLU 17 4.982 -3.671 2.066 125 H ASN 18 HN ASN 18 1.273 -2.911 3.900 126 HA ASN 18 HA ASN 18 -0.145 -4.680 5.673 127 HB2 ASN 18 HB2 ASN 18 0.072 -1.824 5.136 128 HB3 ASN 18 HB1 ASN 18 -1.564 -2.243 5.553 129 HD21 ASN 18 HD21 ASN 18 0.721 -0.818 7.065 130 HD22 ASN 18 HD22 ASN 18 0.706 -1.620 8.553 131 H TYR 19 HN TYR 19 -0.941 -3.330 2.473 132 HA TYR 19 HA TYR 19 -3.713 -4.361 2.648 133 HB2 TYR 19 HB2 TYR 19 -2.190 -3.121 0.338 134 HB3 TYR 19 HB1 TYR 19 -3.893 -3.567 0.296 135 HD1 TYR 19 HD1 TYR 19 -5.517 -2.431 1.893 136 HD2 TYR 19 HD2 TYR 19 -1.471 -1.124 1.357 137 HE1 TYR 19 HE1 TYR 19 -6.092 -0.239 2.923 138 HE2 TYR 19 HE2 TYR 19 -2.033 1.061 2.394 139 HH TYR 19 HH TYR 19 -4.794 1.594 4.168 140 H CYS 20 HN CYS 20 -0.688 -5.669 2.009 141 HA CYS 20 HA CYS 20 -1.700 -7.635 0.042 142 HB2 CYS 20 HB2 CYS 20 0.496 -6.883 -0.466 143 HB3 CYS 20 HB1 CYS 20 1.030 -7.101 1.200 144 H ASN 21 HN ASN 21 -1.994 -9.791 0.518 145 HA ASN 21 HA ASN 21 -1.959 -10.533 3.414 146 HB2 ASN 21 HB2 ASN 21 -3.493 -12.443 2.333 147 HB3 ASN 21 HB1 ASN 21 -4.164 -10.881 2.765 148 HD21 ASN 21 HD21 ASN 21 -4.415 -13.038 0.385 149 HD22 ASN 21 HD22 ASN 21 -4.597 -12.012 -0.949 150 H1 PHE 22 HT1 PHE 22 13.018 1.683 0.183 151 H2 PHE 22 HT2 PHE 22 12.397 0.111 0.017 152 H3 PHE 22 HT3 PHE 22 11.600 1.242 1.002 153 HA PHE 22 HA PHE 22 11.754 1.135 -1.942 154 HB2 PHE 22 HB2 PHE 22 9.893 0.133 -0.330 155 HB3 PHE 22 HB1 PHE 22 9.325 1.799 -0.284 156 HD1 PHE 22 HD1 PHE 22 8.165 2.757 -2.150 157 HD2 PHE 22 HD2 PHE 22 10.145 -1.033 -2.549 158 HE1 PHE 22 HE1 PHE 22 7.089 2.427 -4.360 159 HE2 PHE 22 HE2 PHE 22 9.072 -1.361 -4.759 160 HZ PHE 22 HZ PHE 22 7.543 0.368 -5.665 161 H VAL 23 HN VAL 23 10.922 3.071 -3.063 162 HA VAL 23 HA VAL 23 11.956 5.523 -1.829 163 HB VAL 23 HB VAL 23 12.276 5.007 -4.259 164 HG11 VAL 23 HG11 VAL 23 9.911 4.038 -4.468 165 HG12 VAL 23 HG12 VAL 23 10.433 5.095 -5.780 166 HG13 VAL 23 HG13 VAL 23 9.343 5.706 -4.536 167 HG21 VAL 23 HG21 VAL 23 11.852 7.271 -5.005 168 HG22 VAL 23 HG22 VAL 23 12.290 7.346 -3.298 169 HG23 VAL 23 HG23 VAL 23 10.600 7.490 -3.782 170 H ASN 24 HN ASN 24 10.681 7.446 -1.539 171 HA ASN 24 HA ASN 24 7.826 6.865 -0.872 172 HB2 ASN 24 HB2 ASN 24 8.461 9.459 0.043 173 HB3 ASN 24 HB1 ASN 24 8.373 8.004 1.028 174 HD21 ASN 24 HD21 ASN 24 10.190 8.148 2.375 175 HD22 ASN 24 HD22 ASN 24 11.775 8.410 1.825 176 H GLN 25 HN GLN 25 6.986 7.041 -2.988 177 HA GLN 25 HA GLN 25 6.920 9.820 -4.086 178 HB2 GLN 25 HB2 GLN 25 8.431 8.211 -5.385 179 HB3 GLN 25 HB1 GLN 25 6.967 7.311 -5.786 180 HG2 GLN 25 HG2 GLN 25 7.237 10.271 -6.326 181 HG3 GLN 25 HG1 GLN 25 7.713 9.045 -7.498 182 HE21 GLN 25 HE21 GLN 25 5.833 7.183 -7.543 183 HE22 GLN 25 HE22 GLN 25 4.289 7.820 -7.805 184 H HIS 26 HN HIS 26 4.915 10.447 -4.920 185 HA HIS 26 HA HIS 26 2.602 9.105 -3.897 186 HB2 HIS 26 HB2 HIS 26 2.600 11.146 -6.119 187 HB3 HIS 26 HB1 HIS 26 1.380 10.876 -4.880 188 HD1 HIS 26 HD1 HIS 26 5.121 11.709 -4.897 189 HD2 HIS 26 HD2 HIS 26 1.649 12.606 -2.850 190 HE1 HIS 26 HE1 HIS 26 5.755 13.338 -3.058 191 HE2 HIS 26 HE2 HIS 26 3.620 13.982 -1.882 192 H LEU 27 HN LEU 27 1.968 7.165 -4.714 193 HA LEU 27 HA LEU 27 2.296 6.592 -7.602 194 HB2 LEU 27 HB2 LEU 27 1.065 4.789 -5.519 195 HB3 LEU 27 HB1 LEU 27 1.784 4.341 -7.051 196 HG LEU 27 HG LEU 27 3.414 5.665 -4.873 197 HD11 LEU 27 HD11 LEU 27 3.090 2.701 -5.383 198 HD12 LEU 27 HD12 LEU 27 2.389 3.567 -4.016 199 HD13 LEU 27 HD13 LEU 27 4.140 3.450 -4.183 200 HD21 LEU 27 HD21 LEU 27 4.069 3.983 -7.308 201 HD22 LEU 27 HD22 LEU 27 5.254 4.516 -6.116 202 HD23 LEU 27 HD23 LEU 27 4.396 5.703 -7.098 203 H CYS 28 HN CYS 28 0.511 6.049 -8.916 204 HA CYS 28 HA CYS 28 -2.223 6.283 -7.899 205 HB2 CYS 28 HB2 CYS 28 -1.197 8.246 -9.975 206 HB3 CYS 28 HB1 CYS 28 -2.850 8.119 -9.392 207 H GLY 29 HN GLY 29 -3.688 6.237 -10.120 208 HA2 GLY 29 HA2 GLY 29 -4.307 4.757 -11.853 209 HA3 GLY 29 HA1 GLY 29 -2.700 5.108 -12.485 210 H SER 30 HN SER 30 -2.140 3.040 -13.130 211 HA SER 30 HA SER 30 -2.525 0.745 -11.365 212 HB2 SER 30 HB2 SER 30 -0.710 0.756 -13.771 213 HB3 SER 30 HB1 SER 30 -1.674 -0.566 -13.115 214 HG SER 30 HG SER 30 -2.334 1.146 -15.006 215 H ASP 31 HN ASP 31 -0.082 3.158 -11.763 216 HA ASP 31 HA ASP 31 2.301 1.847 -11.094 217 HB2 ASP 31 HB2 ASP 31 1.413 4.448 -9.809 218 HB3 ASP 31 HB1 ASP 31 3.064 3.924 -10.131 219 H LEU 32 HN LEU 32 -0.063 3.197 -8.801 220 HA LEU 32 HA LEU 32 1.029 2.241 -6.399 221 HB2 LEU 32 HB2 LEU 32 -0.878 3.732 -6.412 222 HB3 LEU 32 HB1 LEU 32 -1.851 2.560 -7.293 223 HG LEU 32 HG LEU 32 -1.810 1.039 -5.369 224 HD11 LEU 32 HD11 LEU 32 -0.863 2.071 -3.191 225 HD12 LEU 32 HD12 LEU 32 0.032 3.154 -4.248 226 HD13 LEU 32 HD13 LEU 32 0.294 1.415 -4.346 227 HD21 LEU 32 HD21 LEU 32 -3.502 2.889 -5.562 228 HD22 LEU 32 HD22 LEU 32 -2.494 3.850 -4.484 229 HD23 LEU 32 HD23 LEU 32 -3.209 2.349 -3.914 230 H VAL 33 HN VAL 33 -1.461 0.620 -8.411 231 HA VAL 33 HA VAL 33 -1.589 -1.816 -7.021 232 HB VAL 33 HB VAL 33 -1.818 -1.191 -9.971 233 HG11 VAL 33 HG11 VAL 33 -1.142 -3.451 -10.063 234 HG12 VAL 33 HG12 VAL 33 -2.900 -3.570 -10.014 235 HG13 VAL 33 HG13 VAL 33 -1.956 -3.854 -8.552 236 HG21 VAL 33 HG21 VAL 33 -3.837 -2.031 -7.877 237 HG22 VAL 33 HG22 VAL 33 -4.193 -1.584 -9.546 238 HG23 VAL 33 HG23 VAL 33 -3.571 -0.375 -8.423 239 H GLU 34 HN GLU 34 0.378 -1.158 -9.905 240 HA GLU 34 HA GLU 34 1.827 -3.431 -10.131 241 HB2 GLU 34 HB2 GLU 34 2.535 -0.548 -10.461 242 HB3 GLU 34 HB1 GLU 34 3.777 -1.763 -10.723 243 HG2 GLU 34 HG2 GLU 34 1.083 -2.054 -12.048 244 HG3 GLU 34 HG1 GLU 34 2.292 -0.986 -12.743 245 H ALA 35 HN ALA 35 2.429 -0.828 -7.798 246 HA ALA 35 HA ALA 35 4.793 -1.900 -6.639 247 HB1 ALA 35 HB1 ALA 35 2.656 -0.532 -5.006 248 HB2 ALA 35 HB2 ALA 35 3.564 0.371 -6.217 249 HB3 ALA 35 HB3 ALA 35 4.409 -0.390 -4.870 250 H LEU 36 HN LEU 36 1.416 -2.236 -5.437 251 HA LEU 36 HA LEU 36 1.931 -4.258 -3.554 252 HB2 LEU 36 HB2 LEU 36 -0.463 -3.889 -5.375 253 HB3 LEU 36 HB1 LEU 36 -0.432 -5.026 -4.029 254 HG LEU 36 HG LEU 36 0.261 -2.124 -3.556 255 HD11 LEU 36 HD11 LEU 36 -2.142 -1.765 -2.994 256 HD12 LEU 36 HD12 LEU 36 -2.505 -3.343 -3.682 257 HD13 LEU 36 HD13 LEU 36 -1.881 -2.058 -4.711 258 HD21 LEU 36 HD21 LEU 36 -0.611 -2.651 -1.321 259 HD22 LEU 36 HD22 LEU 36 0.627 -3.818 -1.765 260 HD23 LEU 36 HD23 LEU 36 -1.072 -4.259 -1.864 261 H TYR 37 HN TYR 37 1.135 -4.581 -7.006 262 HA TYR 37 HA TYR 37 1.306 -7.392 -7.195 263 HB2 TYR 37 HB2 TYR 37 0.665 -5.636 -9.002 264 HB3 TYR 37 HB1 TYR 37 2.387 -5.524 -9.315 265 HD1 TYR 37 HD1 TYR 37 -0.615 -7.474 -9.812 266 HD2 TYR 37 HD2 TYR 37 3.676 -7.624 -9.940 267 HE1 TYR 37 HE1 TYR 37 -0.728 -9.531 -11.194 268 HE2 TYR 37 HE2 TYR 37 3.562 -9.680 -11.322 269 HH TYR 37 HH TYR 37 0.498 -10.892 -12.564 270 H LEU 38 HN LEU 38 3.722 -4.952 -6.745 271 HA LEU 38 HA LEU 38 5.995 -6.722 -7.324 272 HB2 LEU 38 HB2 LEU 38 5.709 -4.070 -7.544 273 HB3 LEU 38 HB1 LEU 38 6.216 -4.100 -5.871 274 HG LEU 38 HG LEU 38 8.183 -5.574 -6.694 275 HD11 LEU 38 HD11 LEU 38 8.818 -4.943 -9.067 276 HD12 LEU 38 HD12 LEU 38 7.174 -4.350 -9.279 277 HD13 LEU 38 HD13 LEU 38 7.462 -6.056 -8.945 278 HD21 LEU 38 HD21 LEU 38 7.849 -2.637 -7.352 279 HD22 LEU 38 HD22 LEU 38 9.406 -3.466 -7.390 280 HD23 LEU 38 HD23 LEU 38 8.513 -3.333 -5.874 281 H VAL 39 HN VAL 39 4.967 -4.845 -4.481 282 HA VAL 39 HA VAL 39 6.484 -6.138 -2.508 283 HB VAL 39 HB VAL 39 3.676 -5.017 -2.204 284 HG11 VAL 39 HG11 VAL 39 4.257 -4.602 0.065 285 HG12 VAL 39 HG12 VAL 39 5.944 -5.034 -0.213 286 HG13 VAL 39 HG13 VAL 39 4.695 -6.278 -0.252 287 HG21 VAL 39 HG21 VAL 39 4.922 -2.921 -1.609 288 HG22 VAL 39 HG22 VAL 39 4.992 -3.362 -3.314 289 HG23 VAL 39 HG23 VAL 39 6.373 -3.668 -2.263 290 H CYS 40 HN CYS 40 3.061 -6.724 -3.277 291 HA CYS 40 HA CYS 40 2.896 -9.093 -1.666 292 HB2 CYS 40 HB2 CYS 40 1.078 -7.419 -2.670 293 HB3 CYS 40 HB1 CYS 40 1.004 -8.630 -3.943 294 H GLY 41 HN GLY 41 3.732 -8.551 -5.046 295 HA2 GLY 41 HA2 GLY 41 4.344 -10.099 -6.719 296 HA3 GLY 41 HA1 GLY 41 5.092 -10.971 -5.382 297 H GLU 42 HN GLU 42 4.396 -13.040 -5.262 298 HA GLU 42 HA GLU 42 1.874 -13.837 -6.530 299 HB2 GLU 42 HB2 GLU 42 2.571 -16.127 -5.906 300 HB3 GLU 42 HB1 GLU 42 3.859 -15.264 -6.748 301 HG2 GLU 42 HG2 GLU 42 4.787 -14.625 -4.483 302 HG3 GLU 42 HG1 GLU 42 3.612 -15.727 -3.766 303 H ARG 43 HN ARG 43 2.712 -12.732 -3.441 304 HA ARG 43 HA ARG 43 1.094 -14.410 -1.788 305 HB2 ARG 43 HB2 ARG 43 1.877 -11.508 -1.492 306 HB3 ARG 43 HB1 ARG 43 0.992 -12.389 -0.260 307 HG2 ARG 43 HG2 ARG 43 2.836 -14.022 -0.112 308 HG3 ARG 43 HG1 ARG 43 3.725 -13.121 -1.342 309 HD2 ARG 43 HD2 ARG 43 3.388 -11.072 0.258 310 HD3 ARG 43 HD1 ARG 43 3.064 -12.305 1.481 311 HE ARG 43 HE ARG 43 5.506 -12.872 0.036 312 HH11 ARG 43 HH11 ARG 43 7.438 -12.577 1.177 313 HH12 ARG 43 HH12 ARG 43 7.432 -11.643 2.635 314 HH21 ARG 43 HH21 ARG 43 4.035 -10.960 2.499 315 HH22 ARG 43 HH22 ARG 43 5.506 -10.728 3.384 316 H GLY 44 HN GLY 44 0.234 -12.069 -4.139 317 HA2 GLY 44 HA2 GLY 44 -1.900 -11.418 -4.898 318 HA3 GLY 44 HA1 GLY 44 -2.593 -12.600 -3.784 319 H TYR 45 HN TYR 45 -2.814 -9.459 -4.407 320 HA TYR 45 HA TYR 45 -2.949 -8.647 -1.529 321 HB2 TYR 45 HB2 TYR 45 -2.589 -6.324 -2.349 322 HB3 TYR 45 HB1 TYR 45 -1.233 -7.366 -2.701 323 HD1 TYR 45 HD1 TYR 45 -3.751 -5.226 -4.106 324 HD2 TYR 45 HD2 TYR 45 -1.091 -8.460 -4.979 325 HE1 TYR 45 HE1 TYR 45 -3.957 -4.729 -6.516 326 HE2 TYR 45 HE2 TYR 45 -1.299 -7.984 -7.408 327 HH TYR 45 HH TYR 45 -3.345 -6.718 -8.856 328 H PHE 46 HN PHE 46 -4.465 -6.635 -1.371 329 HA PHE 46 HA PHE 46 -6.998 -7.236 -2.868 330 HB2 PHE 46 HB2 PHE 46 -7.409 -7.955 -0.676 331 HB3 PHE 46 HB1 PHE 46 -6.473 -6.663 0.037 332 HD1 PHE 46 HD1 PHE 46 -7.423 -4.529 0.429 333 HD2 PHE 46 HD2 PHE 46 -9.677 -7.544 -1.600 334 HE1 PHE 46 HE1 PHE 46 -9.484 -3.169 0.724 335 HE2 PHE 46 HE2 PHE 46 -11.744 -6.202 -1.317 336 HZ PHE 46 HZ PHE 46 -11.648 -4.011 -0.153 337 H TYR 47 HN TYR 47 -7.403 -5.589 -4.193 338 HA TYR 47 HA TYR 47 -6.848 -2.788 -3.264 339 HB2 TYR 47 HB2 TYR 47 -5.152 -3.479 -4.918 340 HB3 TYR 47 HB1 TYR 47 -6.434 -3.888 -6.059 341 HD1 TYR 47 HD1 TYR 47 -4.926 -1.087 -4.118 342 HD2 TYR 47 HD2 TYR 47 -7.521 -2.208 -7.354 343 HE1 TYR 47 HE1 TYR 47 -5.034 1.271 -4.846 344 HE2 TYR 47 HE2 TYR 47 -7.625 0.159 -8.086 345 HH TYR 47 HH TYR 47 -6.439 2.199 -7.880 346 H THR 48 HN THR 48 -8.723 -1.729 -3.124 347 HA THR 48 HA THR 48 -10.808 -2.120 -5.216 348 HB THR 48 HB THR 48 -12.529 -2.011 -3.488 349 HG1 THR 48 HG1 THR 48 -11.864 -2.037 -1.305 350 HG21 THR 48 HG21 THR 48 -10.413 -4.062 -2.808 351 HG22 THR 48 HG22 THR 48 -11.579 -4.210 -4.122 352 HG23 THR 48 HG23 THR 48 -12.135 -4.183 -2.450 353 H LYS 49 HN LYS 49 -12.542 -0.155 -4.472 354 HA LYS 49 HA LYS 49 -10.937 2.286 -3.930 355 HB2 LYS 49 HB2 LYS 49 -11.901 3.413 -5.920 356 HB3 LYS 49 HB1 LYS 49 -10.885 2.047 -6.377 357 HG2 LYS 49 HG2 LYS 49 -13.069 0.662 -6.367 358 HG3 LYS 49 HG1 LYS 49 -13.902 2.216 -6.357 359 HD2 LYS 49 HD2 LYS 49 -11.857 1.343 -8.420 360 HD3 LYS 49 HD1 LYS 49 -13.604 1.355 -8.662 361 HE2 LYS 49 HE2 LYS 49 -13.515 3.843 -8.041 362 HE3 LYS 49 HE1 LYS 49 -11.768 3.717 -8.242 363 HZ1 LYS 49 HZ1 LYS 49 -13.136 2.512 -10.418 364 HZ2 LYS 49 HZ2 LYS 49 -11.986 3.763 -10.431 365 HZ3 LYS 49 HZ3 LYS 49 -13.634 4.122 -10.222 366 HA PRO 50 HA PRO 50 -15.348 1.689 -2.015 367 HB2 PRO 50 HB2 PRO 50 -13.819 2.819 0.246 368 HB3 PRO 50 HB1 PRO 50 -14.821 1.358 0.199 369 HG2 PRO 50 HG2 PRO 50 -11.941 1.597 0.009 370 HG3 PRO 50 HG1 PRO 50 -12.924 0.126 0.119 371 HD2 PRO 50 HD2 PRO 50 -11.492 0.858 -2.115 372 HD3 PRO 50 HD1 PRO 50 -12.932 -0.179 -2.168 373 H THR 51 HN THR 51 -12.829 4.182 -1.578 374 HA THR 51 HA THR 51 -14.795 6.339 -1.393 375 HB THR 51 HB THR 51 -12.904 6.909 -0.167 376 HG1 THR 51 HG1 THR 51 -13.261 8.490 -1.823 377 HG21 THR 51 HG21 THR 51 -11.359 5.463 -2.326 378 HG22 THR 51 HG22 THR 51 -11.507 5.037 -0.622 379 HG23 THR 51 HG23 THR 51 -10.558 6.444 -1.099
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