NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
639020 | 6a3z | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 HN ALA 1 -4.290 -3.523 0.800 2 HA ALA 1 HA ALA 1 -5.792 -1.779 -0.088 3 HB1 ALA 1 1HB ALA 1 -5.569 -2.809 -2.625 4 HB2 ALA 1 2HB ALA 1 -4.338 -1.870 -1.780 5 HB3 ALA 1 3HB ALA 1 -4.278 -3.632 -1.750 6 H THR 2 HN THR 2 -7.463 -1.526 -1.922 7 HA THR 2 HA THR 2 -9.609 -3.493 -1.468 8 HB THR 2 HB THR 2 -11.018 -1.406 -2.339 9 HG1 THR 2 1HG THR 2 -9.970 0.467 -1.198 10 HG21 THR 2 1HG2 THR 2 -11.561 -0.903 -0.062 11 HG22 THR 2 2HG2 THR 2 -10.010 -1.523 0.503 12 HG23 THR 2 3HG2 THR 2 -11.214 -2.629 -0.159 13 HA PRO 3 HA PRO 3 -9.890 -4.376 -5.758 14 HB2 PRO 3 2HB PRO 3 -12.571 -4.590 -6.131 15 HB3 PRO 3 3HB PRO 3 -11.624 -5.797 -5.254 16 HG2 PRO 3 2HG PRO 3 -13.311 -3.568 -4.182 17 HG3 PRO 3 3HG PRO 3 -13.190 -5.248 -3.625 18 HD2 PRO 3 2HD PRO 3 -11.910 -3.205 -2.389 19 HD3 PRO 3 3HD PRO 3 -11.244 -4.850 -2.454 20 H GLU 4 HN GLU 4 -11.709 -1.648 -4.537 21 HA GLU 4 HA GLU 4 -12.343 -0.580 -7.125 22 HB2 GLU 4 2HB GLU 4 -13.734 -0.129 -5.131 23 HB3 GLU 4 3HB GLU 4 -12.398 0.767 -4.419 24 HG2 GLU 4 2HG GLU 4 -12.509 2.238 -6.501 25 HG3 GLU 4 3HG GLU 4 -14.073 1.483 -6.797 26 H GLU 5 HN GLU 5 -9.871 -0.013 -4.675 27 HA GLU 5 HA GLU 5 -8.711 2.228 -6.023 28 HB2 GLU 5 2HB GLU 5 -7.777 0.469 -3.762 29 HB3 GLU 5 3HB GLU 5 -6.786 1.766 -4.412 30 HG2 GLU 5 2HG GLU 5 -9.574 2.280 -3.454 31 HG3 GLU 5 3HG GLU 5 -8.212 2.233 -2.336 32 H LEU 6 HN LEU 6 -8.074 -1.233 -5.900 33 HA LEU 6 HA LEU 6 -5.612 -1.193 -7.280 34 HB2 LEU 6 2HB LEU 6 -7.679 -3.258 -6.695 35 HB3 LEU 6 3HB LEU 6 -6.421 -3.620 -7.876 36 HG LEU 6 HG LEU 6 -5.787 -2.723 -5.075 37 HD11 LEU 6 1HD1 LEU 6 -7.155 -4.734 -4.921 38 HD12 LEU 6 2HD1 LEU 6 -5.476 -5.077 -4.504 39 HD13 LEU 6 3HD1 LEU 6 -6.106 -5.548 -6.082 40 HD21 LEU 6 1HD2 LEU 6 -3.796 -4.366 -5.943 41 HD22 LEU 6 2HD2 LEU 6 -3.774 -2.605 -6.056 42 HD23 LEU 6 3HD2 LEU 6 -4.281 -3.572 -7.442 43 H GLN 7 HN GLN 7 -8.959 -1.520 -8.377 44 HA GLN 7 HA GLN 7 -8.298 -1.954 -11.111 45 HB2 GLN 7 2HB GLN 7 -10.683 -1.781 -9.510 46 HB3 GLN 7 3HB GLN 7 -10.875 -0.819 -10.968 47 HG2 GLN 7 2HG GLN 7 -9.689 -3.355 -11.600 48 HG3 GLN 7 3HG GLN 7 -11.182 -3.579 -10.689 49 HE21 GLN 7 1HE2 GLN 7 -10.947 -4.406 -13.300 50 HE22 GLN 7 2HE2 GLN 7 -11.961 -3.433 -14.304 51 H ALA 8 HN ALA 8 -8.420 0.825 -9.123 52 HA ALA 8 HA ALA 8 -8.859 2.704 -11.273 53 HB1 ALA 8 1HB ALA 8 -7.745 3.648 -8.704 54 HB2 ALA 8 2HB ALA 8 -9.077 4.285 -9.669 55 HB3 ALA 8 3HB ALA 8 -9.328 2.873 -8.642 56 H MET 9 HN MET 9 -6.374 0.772 -10.736 57 HA MET 9 HA MET 9 -4.481 2.607 -11.953 58 HB2 MET 9 2HB MET 9 -2.692 2.072 -10.347 59 HB3 MET 9 3HB MET 9 -4.026 2.926 -9.583 60 HG2 MET 9 2HG MET 9 -4.557 1.192 -8.258 61 HG3 MET 9 3HG MET 9 -4.193 -0.006 -9.498 62 HE1 MET 9 1HE MET 9 -1.112 0.357 -10.270 63 HE2 MET 9 2HE MET 9 -0.535 -0.825 -9.096 64 HE3 MET 9 3HE MET 9 -2.066 -1.087 -9.932 65 H ASP 10 HN ASP 10 -5.923 0.278 -12.846 66 HA ASP 10 HA ASP 10 -5.578 -1.594 -14.090 67 HB2 ASP 10 2HB ASP 10 -2.672 -0.760 -13.945 68 HB3 ASP 10 3HB ASP 10 -3.344 -1.945 -15.061 69 H ASN 11 HN ASN 11 -4.874 -1.356 -11.002 70 HA ASN 11 HA ASN 11 -3.974 -2.716 -9.361 71 HB2 ASN 11 2HB ASN 11 -5.270 -4.679 -9.126 72 HB3 ASN 11 3HB ASN 11 -6.298 -3.560 -10.016 73 HD21 ASN 11 1HD2 ASN 11 -4.670 -6.561 -10.045 74 HD22 ASN 11 2HD2 ASN 11 -5.170 -7.076 -11.618 75 H VAL 12 HN VAL 12 -2.125 -2.428 -11.496 76 HA VAL 12 HA VAL 12 -0.878 -5.100 -11.525 77 HB VAL 12 HB VAL 12 -0.991 -2.970 -13.616 78 HG11 VAL 12 1HG1 VAL 12 1.299 -4.857 -13.152 79 HG12 VAL 12 2HG1 VAL 12 0.930 -4.204 -14.749 80 HG13 VAL 12 3HG1 VAL 12 1.345 -3.116 -13.423 81 HG21 VAL 12 1HG2 VAL 12 -0.787 -5.614 -14.623 82 HG22 VAL 12 2HG2 VAL 12 -1.935 -5.630 -13.284 83 HG23 VAL 12 3HG2 VAL 12 -2.183 -4.536 -14.644 84 H CYS 13 HN CYS 13 1.016 -5.296 -10.524 85 HA CYS 13 HA CYS 13 2.183 -3.115 -9.134 86 HB2 CYS 13 2HB CYS 13 2.321 -5.371 -8.244 87 HB3 CYS 13 3HB CYS 13 3.223 -5.906 -9.658 88 H ILE 14 HN ILE 14 3.400 -1.573 -9.984 89 HA ILE 14 HA ILE 14 4.500 -1.691 -12.585 90 HB ILE 14 HB ILE 14 3.871 0.382 -11.157 91 HG12 ILE 14 2HG1 ILE 14 4.683 0.598 -13.413 92 HG13 ILE 14 3HG1 ILE 14 5.544 1.763 -12.413 93 HG21 ILE 14 1HG2 ILE 14 6.751 0.019 -10.340 94 HG22 ILE 14 2HG2 ILE 14 5.747 1.427 -10.001 95 HG23 ILE 14 3HG2 ILE 14 5.350 -0.132 -9.279 96 HD11 ILE 14 1HD1 ILE 14 7.283 0.926 -13.597 97 HD12 ILE 14 2HD1 ILE 14 7.284 -0.222 -12.257 98 HD13 ILE 14 3HD1 ILE 14 6.536 -0.659 -13.793 99 H ILE 15 HN ILE 15 5.982 -1.923 -9.364 100 HA ILE 15 HA ILE 15 8.610 -1.964 -9.772 101 HB ILE 15 HB ILE 15 7.137 -4.130 -8.267 102 HG12 ILE 15 2HG1 ILE 15 8.463 -1.801 -6.957 103 HG13 ILE 15 3HG1 ILE 15 6.917 -1.530 -7.753 104 HG21 ILE 15 1HG2 ILE 15 9.475 -3.829 -6.960 105 HG22 ILE 15 2HG2 ILE 15 9.195 -5.045 -8.205 106 HG23 ILE 15 3HG2 ILE 15 9.997 -3.530 -8.618 107 HD11 ILE 15 1HD1 ILE 15 6.319 -1.986 -5.571 108 HD12 ILE 15 2HD1 ILE 15 6.115 -3.548 -6.364 109 HD13 ILE 15 3HD1 ILE 15 7.549 -3.236 -5.387 110 H CYS 16 HN CYS 16 6.532 -4.758 -10.518 111 HA CYS 16 HA CYS 16 8.691 -5.786 -12.241 112 HB2 CYS 16 2HB CYS 16 7.694 -8.030 -11.898 113 HB3 CYS 16 3HB CYS 16 8.253 -7.302 -10.396 114 H ARG 17 HN ARG 17 5.781 -4.257 -12.313 115 HA ARG 17 HA ARG 17 4.102 -4.010 -13.838 116 HB2 ARG 17 2HB ARG 17 6.527 -4.589 -15.507 117 HB3 ARG 17 3HB ARG 17 4.964 -4.343 -16.274 118 HG2 ARG 17 2HG ARG 17 5.032 -2.192 -14.663 119 HG3 ARG 17 3HG ARG 17 6.757 -2.413 -14.963 120 HD2 ARG 17 2HD ARG 17 4.902 -2.551 -17.281 121 HD3 ARG 17 3HD ARG 17 5.226 -0.970 -16.573 122 HE ARG 17 HE ARG 17 7.051 -2.601 -18.094 123 HH11 ARG 17 1HH1 ARG 17 6.726 -0.002 -15.801 124 HH12 ARG 17 2HH1 ARG 17 8.265 0.697 -16.179 125 HH21 ARG 17 1HH2 ARG 17 9.078 -1.689 -18.602 126 HH22 ARG 17 2HH2 ARG 17 9.602 -0.262 -17.772 127 H GLU 18 HN GLU 18 3.402 -6.152 -12.693 128 HA GLU 18 HA GLU 18 2.961 -8.168 -14.797 129 HB2 GLU 18 2HB GLU 18 3.426 -8.546 -11.843 130 HB3 GLU 18 3HB GLU 18 2.720 -9.800 -12.853 131 HG2 GLU 18 2HG GLU 18 5.402 -8.539 -13.366 132 HG3 GLU 18 3HG GLU 18 5.164 -10.033 -12.461 133 H GLU 19 HN GLU 19 1.516 -8.341 -11.639 134 HA GLU 19 HA GLU 19 -0.892 -6.971 -12.229 135 HB2 GLU 19 2HB GLU 19 -0.737 -9.410 -13.511 136 HB3 GLU 19 3HB GLU 19 -1.621 -9.799 -12.041 137 HG2 GLU 19 2HG GLU 19 -3.043 -7.713 -12.675 138 HG3 GLU 19 3HG GLU 19 -2.382 -7.992 -14.284 139 H MET 20 HN MET 20 -2.376 -7.002 -10.490 140 HA MET 20 HA MET 20 -1.451 -8.405 -8.076 141 HB2 MET 20 2HB MET 20 -2.064 -5.497 -8.441 142 HB3 MET 20 3HB MET 20 -2.361 -6.255 -6.882 143 HG2 MET 20 2HG MET 20 -0.057 -6.860 -6.666 144 HG3 MET 20 3HG MET 20 0.285 -6.318 -8.307 145 HE1 MET 20 1HE MET 20 0.067 -2.641 -8.304 146 HE2 MET 20 2HE MET 20 -0.693 -4.062 -9.020 147 HE3 MET 20 3HE MET 20 -1.572 -3.095 -7.835 148 H VAL 21 HN VAL 21 -3.020 -9.920 -7.927 149 HA VAL 21 HA VAL 21 -5.820 -9.080 -8.160 150 HB VAL 21 HB VAL 21 -6.178 -11.648 -7.940 151 HG11 VAL 21 1HG1 VAL 21 -5.342 -11.783 -10.475 152 HG12 VAL 21 2HG1 VAL 21 -6.794 -10.903 -9.993 153 HG13 VAL 21 3HG1 VAL 21 -5.280 -10.034 -10.254 154 HG21 VAL 21 1HG2 VAL 21 -3.737 -11.961 -7.289 155 HG22 VAL 21 2HG2 VAL 21 -4.383 -13.056 -8.511 156 HG23 VAL 21 3HG2 VAL 21 -3.363 -11.700 -8.992 157 H THR 22 HN THR 22 -3.462 -10.265 -5.893 158 HA THR 22 HA THR 22 -4.953 -9.466 -3.644 159 HB THR 22 HB THR 22 -6.326 -11.434 -4.128 160 HG1 THR 22 1HG THR 22 -6.364 -11.363 -2.005 161 HG21 THR 22 1HG2 THR 22 -4.354 -13.444 -3.420 162 HG22 THR 22 2HG2 THR 22 -3.938 -12.604 -4.914 163 HG23 THR 22 3HG2 THR 22 -5.497 -13.412 -4.761 164 H GLY 23 HN GLY 23 -3.667 -9.330 -1.861 165 HA2 GLY 23 1HA GLY 23 -1.873 -10.033 -0.459 166 HA3 GLY 23 2HA GLY 23 -1.148 -10.837 -1.843 167 H ALA 24 HN ALA 24 -2.296 -7.508 -1.314 168 HA ALA 24 HA ALA 24 0.430 -6.515 -1.569 169 HB1 ALA 24 1HB ALA 24 -0.647 -6.728 -3.883 170 HB2 ALA 24 2HB ALA 24 -1.662 -5.372 -3.390 171 HB3 ALA 24 3HB ALA 24 0.090 -5.183 -3.457 172 H LYS 25 HN LYS 25 0.530 -4.132 -1.205 173 HA LYS 25 HA LYS 25 -1.579 -3.309 0.679 174 HB2 LYS 25 2HB LYS 25 1.167 -2.119 0.713 175 HB3 LYS 25 3HB LYS 25 0.011 -2.284 2.026 176 HG2 LYS 25 2HG LYS 25 1.396 -4.637 0.771 177 HG3 LYS 25 3HG LYS 25 2.055 -3.750 2.148 178 HD2 LYS 25 2HD LYS 25 -0.673 -4.349 2.692 179 HD3 LYS 25 3HD LYS 25 0.120 -5.828 2.144 180 HE2 LYS 25 2HE LYS 25 0.591 -5.930 4.379 181 HE3 LYS 25 3HE LYS 25 1.999 -5.031 3.812 182 HZ1 LYS 25 1HZ LYS 25 0.930 -4.073 5.809 183 HZ2 LYS 25 2HZ LYS 25 -0.457 -3.763 4.893 184 HZ3 LYS 25 3HZ LYS 25 1.000 -2.994 4.507 185 H ARG 26 HN ARG 26 -1.281 -0.730 0.992 186 HA ARG 26 HA ARG 26 -1.242 0.475 -1.692 187 HB2 ARG 26 2HB ARG 26 -3.568 0.142 -1.083 188 HB3 ARG 26 3HB ARG 26 -3.306 0.924 0.469 189 HG2 ARG 26 2HG ARG 26 -3.009 3.042 -0.544 190 HG3 ARG 26 3HG ARG 26 -2.906 2.330 -2.155 191 HD2 ARG 26 2HD ARG 26 -5.081 3.350 -1.824 192 HD3 ARG 26 3HD ARG 26 -5.243 1.601 -1.967 193 HE ARG 26 HE ARG 26 -6.061 1.546 0.165 194 HH11 ARG 26 1HH1 ARG 26 -4.426 4.578 -0.337 195 HH12 ARG 26 2HH1 ARG 26 -4.922 5.247 1.182 196 HH21 ARG 26 1HH2 ARG 26 -6.722 2.415 2.168 197 HH22 ARG 26 2HH2 ARG 26 -6.228 4.015 2.606 198 H LEU 27 HN LEU 27 -0.082 2.291 -1.846 199 HA LEU 27 HA LEU 27 1.233 3.309 0.523 200 HB2 LEU 27 2HB LEU 27 1.458 4.081 -2.382 201 HB3 LEU 27 3HB LEU 27 2.448 4.751 -1.087 202 HG LEU 27 HG LEU 27 2.413 1.846 -1.907 203 HD11 LEU 27 1HD1 LEU 27 4.236 2.196 -3.232 204 HD12 LEU 27 2HD1 LEU 27 4.744 3.635 -2.349 205 HD13 LEU 27 3HD1 LEU 27 3.392 3.726 -3.478 206 HD21 LEU 27 1HD2 LEU 27 3.672 3.367 0.282 207 HD22 LEU 27 2HD2 LEU 27 4.719 2.232 -0.570 208 HD23 LEU 27 3HD2 LEU 27 3.232 1.662 0.187 209 HA PRO 28 HA PRO 28 -1.335 6.796 1.251 210 HB2 PRO 28 2HB PRO 28 0.484 8.584 2.184 211 HB3 PRO 28 3HB PRO 28 -0.059 7.187 3.122 212 HG2 PRO 28 2HG PRO 28 2.438 7.529 1.507 213 HG3 PRO 28 3HG PRO 28 2.235 6.802 3.111 214 HD2 PRO 28 2HD PRO 28 2.469 5.319 0.858 215 HD3 PRO 28 3HD PRO 28 1.492 4.799 2.247 216 H CYS 29 HN CYS 29 0.766 6.652 -1.280 217 HA CYS 29 HA CYS 29 0.275 9.426 -2.124 218 HB2 CYS 29 2HB CYS 29 2.015 8.829 -3.913 219 HB3 CYS 29 3HB CYS 29 2.588 9.006 -2.259 220 H ASN 30 HN ASN 30 -1.095 6.481 -2.406 221 HA ASN 30 HA ASN 30 -2.857 5.828 -3.734 222 HB2 ASN 30 2HB ASN 30 -2.798 8.423 -4.377 223 HB3 ASN 30 3HB ASN 30 -2.237 7.762 -5.910 224 HD21 ASN 30 1HD2 ASN 30 -4.759 9.110 -5.089 225 HD22 ASN 30 2HD2 ASN 30 -6.019 8.042 -5.595 226 H HIS 31 HN HIS 31 -0.519 4.491 -3.761 227 HA HIS 31 HA HIS 31 -0.449 3.460 -6.481 228 HB2 HIS 31 2HB HIS 31 2.065 4.320 -5.032 229 HB3 HIS 31 3HB HIS 31 2.010 3.470 -6.574 230 HD2 HIS 31 2HD HIS 31 0.046 5.245 -8.320 231 HE1 HIS 31 1HE HIS 31 2.312 8.590 -7.025 232 HE2 HIS 31 2HE HIS 31 0.602 7.747 -8.670 233 H ILE 32 HN ILE 32 -1.010 1.411 -6.140 234 HA ILE 32 HA ILE 32 -0.064 0.018 -3.754 235 HB ILE 32 HB ILE 32 -2.111 -0.733 -5.837 236 HG12 ILE 32 2HG1 ILE 32 -2.799 -0.625 -2.973 237 HG13 ILE 32 3HG1 ILE 32 -2.352 0.922 -3.682 238 HG21 ILE 32 1HG2 ILE 32 -2.364 -2.505 -3.727 239 HG22 ILE 32 2HG2 ILE 32 -1.705 -2.860 -5.323 240 HG23 ILE 32 3HG2 ILE 32 -0.625 -2.411 -4.002 241 HD11 ILE 32 1HD1 ILE 32 -4.045 0.383 -5.502 242 HD12 ILE 32 2HD1 ILE 32 -4.616 -0.891 -4.424 243 HD13 ILE 32 3HD1 ILE 32 -4.670 0.793 -3.905 244 H PHE 33 HN PHE 33 1.249 -1.756 -3.786 245 HA PHE 33 HA PHE 33 2.072 -2.915 -6.319 246 HB2 PHE 33 2HB PHE 33 4.125 -1.726 -4.444 247 HB3 PHE 33 3HB PHE 33 4.439 -2.528 -5.979 248 HD1 PHE 33 1HD PHE 33 3.496 -1.449 -8.090 249 HD2 PHE 33 2HD PHE 33 3.787 0.570 -4.355 250 HE1 PHE 33 1HE PHE 33 3.347 0.715 -9.252 251 HE2 PHE 33 2HE PHE 33 3.638 2.737 -5.510 252 HZ PHE 33 HZ PHE 33 3.417 2.811 -7.961 253 H HIS 34 HN HIS 34 3.211 -4.913 -6.085 254 HA HIS 34 HA HIS 34 2.237 -6.701 -4.299 255 HB2 HIS 34 2HB HIS 34 4.936 -6.634 -5.642 256 HB3 HIS 34 3HB HIS 34 4.403 -8.007 -4.675 257 HD2 HIS 34 2HD HIS 34 1.327 -8.206 -5.859 258 HE1 HIS 34 1HE HIS 34 3.286 -8.650 -9.595 259 HE2 HIS 34 2HE HIS 34 1.112 -8.886 -8.345 260 H THR 35 HN THR 35 2.611 -7.359 -2.245 261 HA THR 35 HA THR 35 3.868 -5.583 -0.442 262 HB THR 35 HB THR 35 3.002 -8.446 0.011 263 HG1 THR 35 1HG THR 35 1.087 -7.523 0.716 264 HG21 THR 35 1HG2 THR 35 2.767 -7.155 2.403 265 HG22 THR 35 2HG2 THR 35 4.235 -6.428 1.750 266 HG23 THR 35 3HG2 THR 35 4.128 -8.177 1.942 267 H SER 36 HN SER 36 5.081 -8.131 -2.361 268 HA SER 36 HA SER 36 7.421 -8.544 -0.666 269 HB2 SER 36 2HB SER 36 6.173 -9.986 -2.935 270 HB3 SER 36 3HB SER 36 7.932 -10.066 -2.835 271 HG SER 36 HG SER 36 7.232 -11.722 -1.597 272 H CYS 37 HN CYS 37 6.476 -7.047 -3.679 273 HA CYS 37 HA CYS 37 9.138 -6.561 -4.607 274 HB2 CYS 37 2HB CYS 37 6.473 -5.376 -5.401 275 HB3 CYS 37 3HB CYS 37 7.989 -5.003 -6.212 276 H LEU 38 HN LEU 38 6.843 -4.852 -2.606 277 HA LEU 38 HA LEU 38 8.144 -2.322 -2.691 278 HB2 LEU 38 2HB LEU 38 6.112 -3.570 -0.876 279 HB3 LEU 38 3HB LEU 38 6.804 -1.991 -0.515 280 HG LEU 38 HG LEU 38 5.180 -2.727 -2.948 281 HD11 LEU 38 1HD1 LEU 38 3.841 -2.504 -0.936 282 HD12 LEU 38 2HD1 LEU 38 3.561 -1.139 -2.017 283 HD13 LEU 38 3HD1 LEU 38 4.584 -0.940 -0.593 284 HD21 LEU 38 1HD2 LEU 38 5.289 -0.184 -3.270 285 HD22 LEU 38 2HD2 LEU 38 6.697 -1.138 -3.734 286 HD23 LEU 38 3HD2 LEU 38 6.698 -0.248 -2.211 287 H ARG 39 HN ARG 39 7.851 -4.584 0.054 288 HA ARG 39 HA ARG 39 9.743 -3.489 1.704 289 HB2 ARG 39 2HB ARG 39 9.120 -6.419 1.304 290 HB3 ARG 39 3HB ARG 39 10.019 -5.766 2.667 291 HG2 ARG 39 2HG ARG 39 7.958 -4.326 3.109 292 HG3 ARG 39 3HG ARG 39 7.122 -5.405 1.991 293 HD2 ARG 39 2HD ARG 39 6.741 -6.243 4.179 294 HD3 ARG 39 3HD ARG 39 7.907 -7.319 3.412 295 HE ARG 39 HE ARG 39 9.277 -5.329 4.852 296 HH11 ARG 39 1HH1 ARG 39 7.309 -8.154 5.360 297 HH12 ARG 39 2HH1 ARG 39 8.029 -8.541 6.889 298 HH21 ARG 39 1HH2 ARG 39 10.233 -5.827 6.862 299 HH22 ARG 39 2HH2 ARG 39 9.691 -7.216 7.742 300 H SER 40 HN SER 40 10.244 -5.287 -1.212 301 HA SER 40 HA SER 40 13.086 -5.651 -0.669 302 HB2 SER 40 2HB SER 40 11.184 -6.659 -2.746 303 HB3 SER 40 3HB SER 40 12.908 -6.624 -3.117 304 HG SER 40 HG SER 40 13.258 -7.898 -1.255 305 H TRP 41 HN TRP 41 10.940 -3.590 -2.441 306 HA TRP 41 HA TRP 41 12.943 -2.522 -4.199 307 HB2 TRP 41 2HB TRP 41 10.628 -2.499 -4.909 308 HB3 TRP 41 3HB TRP 41 10.164 -1.558 -3.495 309 HD1 TRP 41 1HD TRP 41 10.931 1.051 -3.463 310 HE1 TRP 41 1HE TRP 41 11.428 2.675 -5.396 311 HE3 TRP 41 3HE TRP 41 11.567 -2.346 -7.230 312 HZ2 TRP 41 2HZ TRP 41 12.011 2.534 -8.155 313 HZ3 TRP 41 3HZ TRP 41 12.092 -1.519 -9.487 314 HH2 TRP 41 2HH TRP 41 12.308 0.871 -9.938 315 H PHE 42 HN PHE 42 11.352 -1.445 -1.220 316 HA PHE 42 HA PHE 42 12.705 1.051 -1.091 317 HB2 PHE 42 2HB PHE 42 11.313 -0.559 1.059 318 HB3 PHE 42 3HB PHE 42 11.888 1.093 1.266 319 HD1 PHE 42 1HD PHE 42 11.126 2.334 -1.269 320 HD2 PHE 42 2HD PHE 42 9.008 -0.431 1.178 321 HE1 PHE 42 1HE PHE 42 8.995 3.188 -2.154 322 HE2 PHE 42 2HE PHE 42 6.875 0.418 0.296 323 HZ PHE 42 HZ PHE 42 6.866 2.228 -1.373 324 H GLN 43 HN GLN 43 13.605 -2.162 -0.322 325 HA GLN 43 HA GLN 43 15.520 -1.643 1.696 326 HB2 GLN 43 2HB GLN 43 14.954 -3.915 -0.159 327 HB3 GLN 43 3HB GLN 43 16.487 -3.892 0.703 328 HG2 GLN 43 2HG GLN 43 14.095 -3.396 2.342 329 HG3 GLN 43 3HG GLN 43 14.235 -5.012 1.652 330 HE21 GLN 43 1HE2 GLN 43 16.718 -5.727 1.785 331 HE22 GLN 43 2HE2 GLN 43 17.359 -5.643 3.388 332 H ARG 44 HN ARG 44 15.477 -0.796 -1.535 333 HA ARG 44 HA ARG 44 18.377 -0.328 -1.496 334 HB2 ARG 44 2HB ARG 44 16.831 -1.267 -3.918 335 HB3 ARG 44 3HB ARG 44 18.553 -0.917 -3.851 336 HG2 ARG 44 2HG ARG 44 18.394 -2.756 -1.906 337 HG3 ARG 44 3HG ARG 44 17.061 -3.285 -2.934 338 HD2 ARG 44 2HD ARG 44 19.380 -2.618 -4.512 339 HD3 ARG 44 3HD ARG 44 19.782 -3.812 -3.279 340 HE ARG 44 HE ARG 44 17.472 -4.737 -4.402 341 HH11 ARG 44 1HH1 ARG 44 20.613 -3.844 -5.607 342 HH12 ARG 44 2HH1 ARG 44 20.570 -4.964 -6.928 343 HH21 ARG 44 1HH2 ARG 44 17.402 -6.215 -6.138 344 HH22 ARG 44 2HH2 ARG 44 18.742 -6.311 -7.229 345 H GLN 45 HN GLN 45 15.197 0.583 -2.657 346 HA GLN 45 HA GLN 45 16.238 3.281 -3.194 347 HB2 GLN 45 2HB GLN 45 14.500 1.553 -4.896 348 HB3 GLN 45 3HB GLN 45 14.222 3.289 -4.908 349 HG2 GLN 45 2HG GLN 45 15.672 2.733 -6.719 350 HG3 GLN 45 3HG GLN 45 16.597 3.621 -5.509 351 HE21 GLN 45 1HE2 GLN 45 15.640 0.221 -5.853 352 HE22 GLN 45 2HE2 GLN 45 17.239 -0.420 -5.721 353 H GLN 46 HN GLN 46 15.506 4.389 -1.477 354 HA GLN 46 HA GLN 46 12.974 3.852 -0.250 355 HB2 GLN 46 2HB GLN 46 15.040 4.730 0.926 356 HB3 GLN 46 3HB GLN 46 14.711 6.282 0.169 357 HG2 GLN 46 2HG GLN 46 13.252 6.797 1.745 358 HG3 GLN 46 3HG GLN 46 12.337 5.322 1.438 359 HE21 GLN 46 1HE2 GLN 46 13.303 6.875 3.901 360 HE22 GLN 46 2HE2 GLN 46 13.948 5.641 4.923 361 H THR 47 HN THR 47 12.333 4.262 -2.804 362 HA THR 47 HA THR 47 10.713 6.662 -2.668 363 HB THR 47 HB THR 47 11.651 6.784 -5.295 364 HG1 THR 47 1HG THR 47 13.561 5.829 -5.050 365 HG21 THR 47 1HG2 THR 47 12.259 8.973 -4.747 366 HG22 THR 47 2HG2 THR 47 12.705 8.536 -3.097 367 HG23 THR 47 3HG2 THR 47 11.006 8.588 -3.569 368 H CYS 48 HN CYS 48 8.834 6.511 -3.834 369 HA CYS 48 HA CYS 48 7.733 4.069 -4.405 370 HB2 CYS 48 2HB CYS 48 6.851 6.664 -4.494 371 HB3 CYS 48 3HB CYS 48 6.773 6.197 -6.189 372 HA PRO 49 HA PRO 49 9.659 2.683 -8.121 373 HB2 PRO 49 2HB PRO 49 7.812 0.833 -8.853 374 HB3 PRO 49 3HB PRO 49 8.945 0.583 -7.520 375 HG2 PRO 49 2HG PRO 49 6.079 1.440 -7.433 376 HG3 PRO 49 3HG PRO 49 6.931 0.277 -6.400 377 HD2 PRO 49 2HD PRO 49 6.419 2.817 -5.617 378 HD3 PRO 49 3HD PRO 49 7.864 1.928 -5.092 379 H THR 50 HN THR 50 6.993 4.616 -7.986 380 HA THR 50 HA THR 50 6.882 4.821 -10.915 381 HB THR 50 HB THR 50 4.868 3.600 -10.121 382 HG1 THR 50 1HG THR 50 4.165 6.204 -11.020 383 HG21 THR 50 1HG2 THR 50 4.089 6.187 -8.782 384 HG22 THR 50 2HG2 THR 50 4.763 4.809 -7.911 385 HG23 THR 50 3HG2 THR 50 3.223 4.651 -8.756 386 H CYS 51 HN CYS 51 5.884 6.387 -7.873 387 HA CYS 51 HA CYS 51 6.237 9.002 -9.145 388 HB2 CYS 51 2HB CYS 51 4.847 9.909 -7.499 389 HB3 CYS 51 3HB CYS 51 4.140 8.322 -7.788 390 H ARG 52 HN ARG 52 8.040 6.847 -7.447 391 HA ARG 52 HA ARG 52 9.760 7.000 -5.905 392 HB2 ARG 52 2HB ARG 52 11.625 8.102 -6.860 393 HB3 ARG 52 3HB ARG 52 10.640 7.568 -8.214 394 HG2 ARG 52 2HG ARG 52 10.374 9.644 -8.955 395 HG3 ARG 52 3HG ARG 52 9.924 10.236 -7.354 396 HD2 ARG 52 2HD ARG 52 12.383 10.188 -6.782 397 HD3 ARG 52 3HD ARG 52 12.689 9.898 -8.495 398 HE ARG 52 HE ARG 52 11.105 12.128 -8.432 399 HH11 ARG 52 1HH1 ARG 52 14.163 11.216 -7.041 400 HH12 ARG 52 2HH1 ARG 52 14.790 12.830 -7.036 401 HH21 ARG 52 1HH2 ARG 52 11.919 14.258 -8.431 402 HH22 ARG 52 2HH2 ARG 52 13.514 14.561 -7.826 403 H MET 53 HN MET 53 7.590 8.374 -4.863 404 HA MET 53 HA MET 53 8.716 10.876 -3.820 405 HB2 MET 53 2HB MET 53 6.419 10.880 -4.835 406 HB3 MET 53 3HB MET 53 5.894 9.839 -3.519 407 HG2 MET 53 2HG MET 53 6.971 11.801 -2.080 408 HG3 MET 53 3HG MET 53 6.545 12.721 -3.522 409 HE1 MET 53 1HE MET 53 5.495 10.721 -0.523 410 HE2 MET 53 2HE MET 53 3.733 10.759 -0.500 411 HE3 MET 53 3HE MET 53 4.577 9.675 -1.606 412 H ASP 54 HN ASP 54 9.744 10.749 -1.946 413 HA ASP 54 HA ASP 54 10.151 8.709 -0.281 414 HB2 ASP 54 2HB ASP 54 11.289 10.603 0.380 415 HB3 ASP 54 3HB ASP 54 9.864 11.631 0.260 416 H VAL 55 HN VAL 55 9.009 7.371 0.950 417 HA VAL 55 HA VAL 55 6.351 8.238 1.882 418 HB VAL 55 HB VAL 55 5.697 5.784 1.676 419 HG11 VAL 55 1HG1 VAL 55 5.748 7.895 -0.253 420 HG12 VAL 55 2HG1 VAL 55 5.886 6.340 -1.076 421 HG13 VAL 55 3HG1 VAL 55 4.525 6.651 0.003 422 HG21 VAL 55 1HG2 VAL 55 7.821 4.752 1.380 423 HG22 VAL 55 2HG2 VAL 55 6.941 4.565 -0.137 424 HG23 VAL 55 3HG2 VAL 55 8.203 5.789 0.005 425 H LEU 56 HN LEU 56 9.042 5.984 2.402 426 HA LEU 56 HA LEU 56 8.273 4.983 4.883 427 HB2 LEU 56 2HB LEU 56 10.423 4.673 3.208 428 HB3 LEU 56 3HB LEU 56 11.146 5.444 4.618 429 HG LEU 56 HG LEU 56 9.395 3.093 5.089 430 HD11 LEU 56 1HD1 LEU 56 10.606 2.202 3.272 431 HD12 LEU 56 2HD1 LEU 56 11.419 1.625 4.725 432 HD13 LEU 56 3HD1 LEU 56 12.108 2.960 3.802 433 HD21 LEU 56 1HD2 LEU 56 11.321 2.664 6.713 434 HD22 LEU 56 2HD2 LEU 56 10.285 4.055 7.028 435 HD23 LEU 56 3HD2 LEU 56 11.872 4.285 6.293 Start of MODEL 2 1 H1 ALA 1 HN ALA 1 -4.866 -3.838 0.610 2 HA ALA 1 HA ALA 1 -6.421 -2.097 -0.298 3 HB1 ALA 1 1HB ALA 1 -5.821 -2.721 -2.810 4 HB2 ALA 1 2HB ALA 1 -4.612 -2.117 -1.676 5 HB3 ALA 1 3HB ALA 1 -4.734 -3.846 -1.996 6 H THR 2 HN THR 2 -8.218 -1.666 -1.607 7 HA THR 2 HA THR 2 -10.141 -3.840 -1.714 8 HB THR 2 HB THR 2 -11.606 -1.856 -2.642 9 HG1 THR 2 1HG THR 2 -9.931 -0.350 -2.867 10 HG21 THR 2 1HG2 THR 2 -12.423 -1.546 -0.503 11 HG22 THR 2 2HG2 THR 2 -10.817 -1.560 0.225 12 HG23 THR 2 3HG2 THR 2 -11.551 -3.068 -0.322 13 HA PRO 3 HA PRO 3 -9.887 -4.672 -6.017 14 HB2 PRO 3 2HB PRO 3 -12.480 -5.209 -6.614 15 HB3 PRO 3 3HB PRO 3 -11.463 -6.309 -5.677 16 HG2 PRO 3 2HG PRO 3 -13.499 -4.333 -4.720 17 HG3 PRO 3 3HG PRO 3 -13.211 -5.996 -4.176 18 HD2 PRO 3 2HD PRO 3 -12.302 -3.840 -2.813 19 HD3 PRO 3 3HD PRO 3 -11.432 -5.387 -2.844 20 H GLU 4 HN GLU 4 -12.095 -2.203 -4.906 21 HA GLU 4 HA GLU 4 -12.715 -1.174 -7.505 22 HB2 GLU 4 2HB GLU 4 -13.841 -0.876 -5.053 23 HB3 GLU 4 3HB GLU 4 -12.952 0.634 -5.183 24 HG2 GLU 4 2HG GLU 4 -14.099 0.681 -7.565 25 HG3 GLU 4 3HG GLU 4 -15.274 -0.342 -6.741 26 H GLU 5 HN GLU 5 -10.441 -0.309 -4.937 27 HA GLU 5 HA GLU 5 -9.428 1.983 -6.332 28 HB2 GLU 5 2HB GLU 5 -8.213 0.483 -4.007 29 HB3 GLU 5 3HB GLU 5 -7.775 2.096 -4.549 30 HG2 GLU 5 2HG GLU 5 -10.609 1.645 -3.842 31 HG3 GLU 5 3HG GLU 5 -9.440 1.648 -2.523 32 H LEU 6 HN LEU 6 -8.589 -1.399 -6.093 33 HA LEU 6 HA LEU 6 -5.978 -1.219 -7.169 34 HB2 LEU 6 2HB LEU 6 -7.946 -3.365 -6.656 35 HB3 LEU 6 3HB LEU 6 -6.705 -3.707 -7.859 36 HG LEU 6 HG LEU 6 -6.081 -2.808 -5.052 37 HD11 LEU 6 1HD1 LEU 6 -5.716 -5.088 -4.456 38 HD12 LEU 6 2HD1 LEU 6 -6.055 -5.632 -6.099 39 HD13 LEU 6 3HD1 LEU 6 -7.350 -4.959 -5.108 40 HD21 LEU 6 1HD2 LEU 6 -4.285 -4.371 -6.853 41 HD22 LEU 6 2HD2 LEU 6 -3.877 -3.276 -5.532 42 HD23 LEU 6 3HD2 LEU 6 -4.441 -2.628 -7.073 43 H GLN 7 HN GLN 7 -9.109 -2.025 -8.656 44 HA GLN 7 HA GLN 7 -8.062 -2.256 -11.287 45 HB2 GLN 7 2HB GLN 7 -10.484 -2.814 -10.045 46 HB3 GLN 7 3HB GLN 7 -10.875 -1.520 -11.170 47 HG2 GLN 7 2HG GLN 7 -9.369 -3.982 -11.996 48 HG3 GLN 7 3HG GLN 7 -11.129 -3.883 -12.021 49 HE21 GLN 7 1HE2 GLN 7 -8.179 -2.870 -13.501 50 HE22 GLN 7 2HE2 GLN 7 -8.884 -2.106 -14.881 51 H ALA 8 HN ALA 8 -8.672 0.410 -9.321 52 HA ALA 8 HA ALA 8 -9.330 2.255 -11.448 53 HB1 ALA 8 1HB ALA 8 -9.990 3.612 -9.808 54 HB2 ALA 8 2HB ALA 8 -9.707 2.259 -8.714 55 HB3 ALA 8 3HB ALA 8 -8.449 3.469 -8.962 56 H MET 9 HN MET 9 -6.541 0.768 -10.471 57 HA MET 9 HA MET 9 -4.909 2.877 -11.694 58 HB2 MET 9 2HB MET 9 -3.130 2.504 -10.039 59 HB3 MET 9 3HB MET 9 -4.603 3.096 -9.284 60 HG2 MET 9 2HG MET 9 -4.860 1.251 -8.053 61 HG3 MET 9 3HG MET 9 -4.408 0.184 -9.380 62 HE1 MET 9 1HE MET 9 -0.724 -0.379 -9.075 63 HE2 MET 9 2HE MET 9 -2.231 -0.600 -9.963 64 HE3 MET 9 3HE MET 9 -1.322 0.903 -10.128 65 H ASP 10 HN ASP 10 -6.015 0.325 -12.654 66 HA ASP 10 HA ASP 10 -5.303 -1.267 -14.135 67 HB2 ASP 10 2HB ASP 10 -3.391 0.423 -14.518 68 HB3 ASP 10 3HB ASP 10 -2.440 -0.624 -13.468 69 H ASN 11 HN ASN 11 -4.656 -1.138 -10.884 70 HA ASN 11 HA ASN 11 -3.946 -2.649 -9.302 71 HB2 ASN 11 2HB ASN 11 -5.392 -4.458 -9.168 72 HB3 ASN 11 3HB ASN 11 -6.273 -3.383 -10.251 73 HD21 ASN 11 1HD2 ASN 11 -4.882 -6.436 -9.845 74 HD22 ASN 11 2HD2 ASN 11 -5.122 -7.029 -11.451 75 H VAL 12 HN VAL 12 -2.055 -2.318 -11.455 76 HA VAL 12 HA VAL 12 -0.847 -5.009 -11.487 77 HB VAL 12 HB VAL 12 -0.936 -2.886 -13.589 78 HG11 VAL 12 1HG1 VAL 12 1.368 -4.672 -12.985 79 HG12 VAL 12 2HG1 VAL 12 0.951 -4.364 -14.671 80 HG13 VAL 12 3HG1 VAL 12 1.351 -3.020 -13.601 81 HG21 VAL 12 1HG2 VAL 12 -0.788 -5.541 -14.580 82 HG22 VAL 12 2HG2 VAL 12 -1.933 -5.523 -13.239 83 HG23 VAL 12 3HG2 VAL 12 -2.161 -4.434 -14.607 84 H CYS 13 HN CYS 13 1.051 -5.220 -10.496 85 HA CYS 13 HA CYS 13 2.247 -3.044 -9.121 86 HB2 CYS 13 2HB CYS 13 2.364 -5.301 -8.223 87 HB3 CYS 13 3HB CYS 13 3.259 -5.848 -9.637 88 H ILE 14 HN ILE 14 3.473 -1.519 -9.986 89 HA ILE 14 HA ILE 14 4.561 -1.660 -12.591 90 HB ILE 14 HB ILE 14 3.960 0.423 -11.154 91 HG12 ILE 14 2HG1 ILE 14 4.712 0.661 -13.414 92 HG13 ILE 14 3HG1 ILE 14 5.660 1.776 -12.436 93 HG21 ILE 14 1HG2 ILE 14 6.852 0.035 -10.390 94 HG22 ILE 14 2HG2 ILE 14 5.872 1.459 -10.044 95 HG23 ILE 14 3HG2 ILE 14 5.469 -0.090 -9.303 96 HD11 ILE 14 1HD1 ILE 14 7.248 0.840 -13.810 97 HD12 ILE 14 2HD1 ILE 14 7.380 -0.160 -12.363 98 HD13 ILE 14 3HD1 ILE 14 6.497 -0.755 -13.769 99 H ILE 15 HN ILE 15 6.052 -1.896 -9.375 100 HA ILE 15 HA ILE 15 8.678 -1.965 -9.794 101 HB ILE 15 HB ILE 15 7.190 -4.107 -8.271 102 HG12 ILE 15 2HG1 ILE 15 8.548 -1.781 -6.985 103 HG13 ILE 15 3HG1 ILE 15 6.997 -1.505 -7.768 104 HG21 ILE 15 1HG2 ILE 15 9.222 -5.052 -8.164 105 HG22 ILE 15 2HG2 ILE 15 10.044 -3.580 -8.677 106 HG23 ILE 15 3HG2 ILE 15 9.565 -3.779 -6.993 107 HD11 ILE 15 1HD1 ILE 15 6.183 -3.498 -6.359 108 HD12 ILE 15 2HD1 ILE 15 7.635 -3.211 -5.401 109 HD13 ILE 15 3HD1 ILE 15 6.425 -1.940 -5.571 110 H CYS 16 HN CYS 16 6.579 -4.755 -10.496 111 HA CYS 16 HA CYS 16 8.718 -5.814 -12.225 112 HB2 CYS 16 2HB CYS 16 7.690 -8.041 -11.870 113 HB3 CYS 16 3HB CYS 16 8.258 -7.313 -10.372 114 H ARG 17 HN ARG 17 5.820 -4.252 -12.301 115 HA ARG 17 HA ARG 17 4.148 -3.988 -13.830 116 HB2 ARG 17 2HB ARG 17 6.556 -4.625 -15.508 117 HB3 ARG 17 3HB ARG 17 4.994 -4.329 -16.261 118 HG2 ARG 17 2HG ARG 17 5.139 -2.186 -14.645 119 HG3 ARG 17 3HG ARG 17 6.856 -2.459 -14.955 120 HD2 ARG 17 2HD ARG 17 4.730 -2.208 -17.081 121 HD3 ARG 17 3HD ARG 17 5.807 -0.908 -16.572 122 HE ARG 17 HE ARG 17 7.468 -2.968 -17.271 123 HH11 ARG 17 1HH1 ARG 17 4.954 -1.155 -18.855 124 HH12 ARG 17 2HH1 ARG 17 5.646 -1.325 -20.434 125 HH21 ARG 17 1HH2 ARG 17 8.391 -3.198 -19.345 126 HH22 ARG 17 2HH2 ARG 17 7.600 -2.487 -20.711 127 H GLU 18 HN GLU 18 3.421 -6.114 -12.670 128 HA GLU 18 HA GLU 18 2.941 -8.130 -14.766 129 HB2 GLU 18 2HB GLU 18 3.475 -8.501 -11.826 130 HB3 GLU 18 3HB GLU 18 2.683 -9.742 -12.787 131 HG2 GLU 18 2HG GLU 18 5.437 -8.617 -13.240 132 HG3 GLU 18 3HG GLU 18 5.042 -10.207 -12.587 133 H GLU 19 HN GLU 19 1.530 -8.287 -11.592 134 HA GLU 19 HA GLU 19 -0.870 -6.891 -12.161 135 HB2 GLU 19 2HB GLU 19 -0.697 -9.505 -13.258 136 HB3 GLU 19 3HB GLU 19 -1.824 -9.575 -11.910 137 HG2 GLU 19 2HG GLU 19 -2.820 -7.429 -13.031 138 HG3 GLU 19 3HG GLU 19 -2.015 -8.065 -14.465 139 H MET 20 HN MET 20 -2.328 -6.887 -10.402 140 HA MET 20 HA MET 20 -1.367 -8.263 -7.984 141 HB2 MET 20 2HB MET 20 -1.989 -5.373 -8.404 142 HB3 MET 20 3HB MET 20 -2.351 -6.090 -6.840 143 HG2 MET 20 2HG MET 20 -0.055 -6.713 -6.530 144 HG3 MET 20 3HG MET 20 0.348 -6.184 -8.162 145 HE1 MET 20 1HE MET 20 0.162 -2.533 -8.226 146 HE2 MET 20 2HE MET 20 -0.636 -3.945 -8.920 147 HE3 MET 20 3HE MET 20 -1.498 -2.919 -7.773 148 H VAL 21 HN VAL 21 -2.960 -9.856 -8.215 149 HA VAL 21 HA VAL 21 -5.753 -9.069 -8.318 150 HB VAL 21 HB VAL 21 -6.168 -11.548 -8.189 151 HG11 VAL 21 1HG1 VAL 21 -4.277 -10.924 -10.429 152 HG12 VAL 21 2HG1 VAL 21 -5.764 -11.876 -10.459 153 HG13 VAL 21 3HG1 VAL 21 -5.843 -10.120 -10.305 154 HG21 VAL 21 1HG2 VAL 21 -3.691 -11.737 -7.167 155 HG22 VAL 21 2HG2 VAL 21 -4.510 -13.073 -7.975 156 HG23 VAL 21 3HG2 VAL 21 -3.344 -12.089 -8.860 157 H THR 22 HN THR 22 -3.418 -10.242 -5.994 158 HA THR 22 HA THR 22 -4.990 -9.401 -3.787 159 HB THR 22 HB THR 22 -6.222 -11.475 -4.281 160 HG1 THR 22 1HG THR 22 -6.412 -11.697 -2.188 161 HG21 THR 22 1HG2 THR 22 -3.759 -13.023 -3.537 162 HG22 THR 22 2HG2 THR 22 -4.116 -12.620 -5.217 163 HG23 THR 22 3HG2 THR 22 -5.246 -13.603 -4.285 164 H GLY 23 HN GLY 23 -3.837 -9.415 -1.840 165 HA2 GLY 23 1HA GLY 23 -2.014 -9.848 -0.436 166 HA3 GLY 23 2HA GLY 23 -1.232 -10.708 -1.754 167 H ALA 24 HN ALA 24 -2.420 -7.383 -1.240 168 HA ALA 24 HA ALA 24 0.276 -6.363 -1.645 169 HB1 ALA 24 1HB ALA 24 -1.769 -6.286 -3.693 170 HB2 ALA 24 2HB ALA 24 -1.211 -4.670 -3.259 171 HB3 ALA 24 3HB ALA 24 -0.053 -5.888 -3.794 172 H LYS 25 HN LYS 25 0.417 -4.019 -1.215 173 HA LYS 25 HA LYS 25 -1.638 -3.188 0.726 174 HB2 LYS 25 2HB LYS 25 1.181 -2.147 0.707 175 HB3 LYS 25 3HB LYS 25 0.018 -2.143 2.026 176 HG2 LYS 25 2HG LYS 25 1.304 -4.617 0.889 177 HG3 LYS 25 3HG LYS 25 1.858 -3.763 2.331 178 HD2 LYS 25 2HD LYS 25 -0.963 -4.285 2.508 179 HD3 LYS 25 3HD LYS 25 -0.088 -5.781 2.171 180 HE2 LYS 25 2HE LYS 25 1.005 -5.750 4.165 181 HE3 LYS 25 3HE LYS 25 1.046 -3.990 4.240 182 HZ1 LYS 25 1HZ LYS 25 -1.515 -5.412 4.530 183 HZ2 LYS 25 2HZ LYS 25 -1.068 -3.890 5.115 184 HZ3 LYS 25 3HZ LYS 25 -0.468 -5.289 5.853 185 H ARG 26 HN ARG 26 -1.380 -0.648 1.077 186 HA ARG 26 HA ARG 26 -1.336 0.610 -1.586 187 HB2 ARG 26 2HB ARG 26 -3.654 0.268 -0.771 188 HB3 ARG 26 3HB ARG 26 -3.272 1.227 0.652 189 HG2 ARG 26 2HG ARG 26 -2.585 3.012 -1.165 190 HG3 ARG 26 3HG ARG 26 -3.714 2.082 -2.154 191 HD2 ARG 26 2HD ARG 26 -4.768 3.997 -0.981 192 HD3 ARG 26 3HD ARG 26 -5.482 2.439 -0.568 193 HE ARG 26 HE ARG 26 -3.418 3.281 1.246 194 HH11 ARG 26 1HH1 ARG 26 -6.807 3.476 0.473 195 HH12 ARG 26 2HH1 ARG 26 -7.288 3.853 2.095 196 HH21 ARG 26 1HH2 ARG 26 -4.039 3.777 3.384 197 HH22 ARG 26 2HH2 ARG 26 -5.713 4.024 3.749 198 H LEU 27 HN LEU 27 -0.249 2.490 -1.755 199 HA LEU 27 HA LEU 27 1.210 3.409 0.586 200 HB2 LEU 27 2HB LEU 27 1.387 4.103 -2.338 201 HB3 LEU 27 3HB LEU 27 2.362 4.884 -1.096 202 HG LEU 27 HG LEU 27 2.429 1.946 -1.784 203 HD11 LEU 27 1HD1 LEU 27 3.417 3.879 -3.341 204 HD12 LEU 27 2HD1 LEU 27 4.210 2.317 -3.129 205 HD13 LEU 27 3HD1 LEU 27 4.758 3.716 -2.206 206 HD21 LEU 27 1HD2 LEU 27 4.615 2.222 -0.396 207 HD22 LEU 27 2HD2 LEU 27 3.071 2.008 0.430 208 HD23 LEU 27 3HD2 LEU 27 3.782 3.617 0.289 209 HA PRO 28 HA PRO 28 -1.236 6.964 1.400 210 HB2 PRO 28 2HB PRO 28 0.657 8.705 2.271 211 HB3 PRO 28 3HB PRO 28 0.112 7.321 3.227 212 HG2 PRO 28 2HG PRO 28 2.562 7.604 1.527 213 HG3 PRO 28 3HG PRO 28 2.393 6.880 3.137 214 HD2 PRO 28 2HD PRO 28 2.514 5.394 0.878 215 HD3 PRO 28 3HD PRO 28 1.573 4.896 2.298 216 H CYS 29 HN CYS 29 0.840 6.797 -1.176 217 HA CYS 29 HA CYS 29 0.327 9.568 -2.019 218 HB2 CYS 29 2HB CYS 29 2.063 9.006 -3.807 219 HB3 CYS 29 3HB CYS 29 2.648 9.140 -2.151 220 H ASN 30 HN ASN 30 -1.030 6.617 -2.285 221 HA ASN 30 HA ASN 30 -2.797 5.951 -3.601 222 HB2 ASN 30 2HB ASN 30 -2.850 8.510 -4.216 223 HB3 ASN 30 3HB ASN 30 -2.139 7.953 -5.728 224 HD21 ASN 30 1HD2 ASN 30 -4.868 9.005 -4.743 225 HD22 ASN 30 2HD2 ASN 30 -5.992 7.939 -5.508 226 H HIS 31 HN HIS 31 -0.555 4.544 -3.632 227 HA HIS 31 HA HIS 31 -0.468 3.527 -6.346 228 HB2 HIS 31 2HB HIS 31 2.053 4.423 -4.931 229 HB3 HIS 31 3HB HIS 31 1.999 3.531 -6.449 230 HD2 HIS 31 2HD HIS 31 0.113 5.208 -8.306 231 HE1 HIS 31 1HE HIS 31 2.194 8.663 -6.990 232 HE2 HIS 31 2HE HIS 31 0.596 7.720 -8.694 233 H ILE 32 HN ILE 32 -0.898 1.445 -6.077 234 HA ILE 32 HA ILE 32 0.033 0.082 -3.657 235 HB ILE 32 HB ILE 32 -2.047 -0.657 -5.709 236 HG12 ILE 32 2HG1 ILE 32 -2.675 -0.668 -2.835 237 HG13 ILE 32 3HG1 ILE 32 -2.227 0.911 -3.471 238 HG21 ILE 32 1HG2 ILE 32 -0.532 -2.364 -3.882 239 HG22 ILE 32 2HG2 ILE 32 -2.281 -2.525 -3.729 240 HG23 ILE 32 3HG2 ILE 32 -1.505 -2.790 -5.291 241 HD11 ILE 32 1HD1 ILE 32 -3.962 0.656 -5.207 242 HD12 ILE 32 2HD1 ILE 32 -4.448 -0.862 -4.452 243 HD13 ILE 32 3HD1 ILE 32 -4.607 0.655 -3.566 244 H PHE 33 HN PHE 33 1.323 -1.722 -3.700 245 HA PHE 33 HA PHE 33 2.159 -2.844 -6.247 246 HB2 PHE 33 2HB PHE 33 4.200 -1.695 -4.335 247 HB3 PHE 33 3HB PHE 33 4.525 -2.478 -5.878 248 HD1 PHE 33 1HD PHE 33 3.682 0.593 -4.207 249 HD2 PHE 33 2HD PHE 33 3.800 -1.355 -7.989 250 HE1 PHE 33 1HE PHE 33 3.556 2.778 -5.333 251 HE2 PHE 33 2HE PHE 33 3.675 0.826 -9.121 252 HZ PHE 33 HZ PHE 33 3.554 2.896 -7.793 253 H HIS 34 HN HIS 34 3.319 -4.842 -6.028 254 HA HIS 34 HA HIS 34 2.308 -6.653 -4.271 255 HB2 HIS 34 2HB HIS 34 4.987 -6.587 -5.647 256 HB3 HIS 34 3HB HIS 34 4.481 -7.961 -4.670 257 HD2 HIS 34 2HD HIS 34 1.392 -8.205 -5.780 258 HE1 HIS 34 1HE HIS 34 3.257 -8.590 -9.571 259 HE2 HIS 34 2HE HIS 34 1.123 -8.870 -8.265 260 H THR 35 HN THR 35 2.587 -7.226 -2.199 261 HA THR 35 HA THR 35 3.900 -5.529 -0.391 262 HB THR 35 HB THR 35 3.059 -8.397 0.071 263 HG1 THR 35 1HG THR 35 1.096 -7.517 0.695 264 HG21 THR 35 1HG2 THR 35 3.915 -8.122 2.111 265 HG22 THR 35 2HG2 THR 35 2.743 -6.834 2.383 266 HG23 THR 35 3HG2 THR 35 4.344 -6.450 1.751 267 H SER 36 HN SER 36 5.102 -8.045 -2.349 268 HA SER 36 HA SER 36 7.435 -8.501 -0.651 269 HB2 SER 36 2HB SER 36 7.902 -10.384 -1.967 270 HB3 SER 36 3HB SER 36 6.140 -10.346 -1.937 271 HG SER 36 HG SER 36 6.379 -10.416 -4.031 272 H CYS 37 HN CYS 37 6.520 -7.036 -3.705 273 HA CYS 37 HA CYS 37 9.185 -6.532 -4.595 274 HB2 CYS 37 2HB CYS 37 6.531 -5.337 -5.415 275 HB3 CYS 37 3HB CYS 37 8.058 -4.987 -6.218 276 H LEU 38 HN LEU 38 6.915 -4.869 -2.550 277 HA LEU 38 HA LEU 38 8.186 -2.316 -2.651 278 HB2 LEU 38 2HB LEU 38 6.160 -3.591 -0.852 279 HB3 LEU 38 3HB LEU 38 6.861 -2.026 -0.446 280 HG LEU 38 HG LEU 38 5.227 -2.687 -2.894 281 HD11 LEU 38 1HD1 LEU 38 3.621 -2.402 -1.318 282 HD12 LEU 38 2HD1 LEU 38 3.913 -0.705 -1.700 283 HD13 LEU 38 3HD1 LEU 38 4.658 -1.428 -0.275 284 HD21 LEU 38 1HD2 LEU 38 5.366 -0.156 -3.192 285 HD22 LEU 38 2HD2 LEU 38 6.788 -1.102 -3.631 286 HD23 LEU 38 3HD2 LEU 38 6.750 -0.223 -2.102 287 H ARG 39 HN ARG 39 8.093 -4.843 -0.133 288 HA ARG 39 HA ARG 39 9.942 -3.665 1.594 289 HB2 ARG 39 2HB ARG 39 9.363 -6.601 1.158 290 HB3 ARG 39 3HB ARG 39 10.228 -5.934 2.536 291 HG2 ARG 39 2HG ARG 39 8.161 -4.587 3.038 292 HG3 ARG 39 3HG ARG 39 7.337 -5.554 1.813 293 HD2 ARG 39 2HD ARG 39 7.807 -6.182 4.535 294 HD3 ARG 39 3HD ARG 39 6.990 -7.153 3.312 295 HE ARG 39 HE ARG 39 9.683 -7.488 4.288 296 HH11 ARG 39 1HH1 ARG 39 7.431 -8.165 1.721 297 HH12 ARG 39 2HH1 ARG 39 8.294 -9.557 1.155 298 HH21 ARG 39 1HH2 ARG 39 10.828 -9.319 3.552 299 HH22 ARG 39 2HH2 ARG 39 10.224 -10.213 2.199 300 H SER 40 HN SER 40 10.397 -5.546 -1.306 301 HA SER 40 HA SER 40 13.247 -5.864 -0.838 302 HB2 SER 40 2HB SER 40 11.409 -6.720 -3.074 303 HB3 SER 40 3HB SER 40 13.159 -6.921 -3.160 304 HG SER 40 HG SER 40 11.513 -8.591 -2.108 305 H TRP 41 HN TRP 41 11.098 -3.704 -2.434 306 HA TRP 41 HA TRP 41 13.072 -2.627 -4.240 307 HB2 TRP 41 2HB TRP 41 10.784 -2.560 -4.964 308 HB3 TRP 41 3HB TRP 41 10.286 -1.732 -3.489 309 HD1 TRP 41 1HD TRP 41 10.864 0.889 -3.298 310 HE1 TRP 41 1HE TRP 41 11.374 2.656 -5.099 311 HE3 TRP 41 3HE TRP 41 11.896 -2.223 -7.219 312 HZ2 TRP 41 2HZ TRP 41 12.114 2.721 -7.821 313 HZ3 TRP 41 3HZ TRP 41 12.497 -1.228 -9.388 314 HH2 TRP 41 2HH TRP 41 12.603 1.193 -9.681 315 H PHE 42 HN PHE 42 11.550 -1.650 -1.197 316 HA PHE 42 HA PHE 42 12.956 0.838 -1.046 317 HB2 PHE 42 2HB PHE 42 11.424 -0.727 1.040 318 HB3 PHE 42 3HB PHE 42 12.080 0.886 1.297 319 HD1 PHE 42 1HD PHE 42 11.463 2.295 -1.137 320 HD2 PHE 42 2HD PHE 42 9.132 -0.561 0.990 321 HE1 PHE 42 1HE PHE 42 9.410 3.279 -2.073 322 HE2 PHE 42 2HE PHE 42 7.076 0.418 0.058 323 HZ PHE 42 HZ PHE 42 7.213 2.339 -1.476 324 H GLN 43 HN GLN 43 13.746 -2.400 -0.346 325 HA GLN 43 HA GLN 43 15.518 -2.129 1.798 326 HB2 GLN 43 2HB GLN 43 15.020 -4.116 -0.319 327 HB3 GLN 43 3HB GLN 43 16.650 -4.136 0.340 328 HG2 GLN 43 2HG GLN 43 14.818 -3.961 2.503 329 HG3 GLN 43 3HG GLN 43 14.291 -5.253 1.426 330 HE21 GLN 43 1HE2 GLN 43 14.835 -6.955 2.695 331 HE22 GLN 43 2HE2 GLN 43 16.458 -7.351 3.133 332 H ARG 44 HN ARG 44 15.913 -1.474 -1.615 333 HA ARG 44 HA ARG 44 18.693 -0.647 -1.097 334 HB2 ARG 44 2HB ARG 44 17.661 -1.187 -3.856 335 HB3 ARG 44 3HB ARG 44 19.308 -1.275 -3.249 336 HG2 ARG 44 2HG ARG 44 18.095 -3.213 -1.781 337 HG3 ARG 44 3HG ARG 44 17.207 -3.310 -3.303 338 HD2 ARG 44 2HD ARG 44 19.061 -4.799 -3.457 339 HD3 ARG 44 3HD ARG 44 19.409 -3.410 -4.485 340 HE ARG 44 HE ARG 44 21.173 -2.879 -3.121 341 HH11 ARG 44 1HH1 ARG 44 19.143 -5.215 -1.526 342 HH12 ARG 44 2HH1 ARG 44 20.256 -5.488 -0.226 343 HH21 ARG 44 1HH2 ARG 44 22.646 -3.229 -1.414 344 HH22 ARG 44 2HH2 ARG 44 22.247 -4.357 -0.164 345 H GLN 45 HN GLN 45 15.571 0.292 -2.254 346 HA GLN 45 HA GLN 45 16.630 2.953 -2.945 347 HB2 GLN 45 2HB GLN 45 14.442 1.300 -4.108 348 HB3 GLN 45 3HB GLN 45 14.230 3.045 -4.091 349 HG2 GLN 45 2HG GLN 45 15.161 2.463 -6.188 350 HG3 GLN 45 3HG GLN 45 16.430 3.247 -5.248 351 HE21 GLN 45 1HE2 GLN 45 15.165 0.094 -6.196 352 HE22 GLN 45 2HE2 GLN 45 16.684 -0.727 -6.157 353 H GLN 46 HN GLN 46 14.819 4.683 -2.694 354 HA GLN 46 HA GLN 46 13.171 4.206 -0.332 355 HB2 GLN 46 2HB GLN 46 15.560 5.225 0.156 356 HB3 GLN 46 3HB GLN 46 14.792 6.714 -0.376 357 HG2 GLN 46 2HG GLN 46 13.023 6.337 1.329 358 HG3 GLN 46 3HG GLN 46 13.954 4.961 1.918 359 HE21 GLN 46 1HE2 GLN 46 14.121 8.434 1.337 360 HE22 GLN 46 2HE2 GLN 46 15.240 8.776 2.608 361 H THR 47 HN THR 47 12.415 4.511 -3.026 362 HA THR 47 HA THR 47 10.676 6.824 -2.772 363 HB THR 47 HB THR 47 11.558 6.870 -5.477 364 HG1 THR 47 1HG THR 47 13.787 7.602 -4.906 365 HG21 THR 47 1HG2 THR 47 12.311 8.943 -3.454 366 HG22 THR 47 2HG2 THR 47 10.612 8.673 -3.843 367 HG23 THR 47 3HG2 THR 47 11.743 9.149 -5.110 368 H CYS 48 HN CYS 48 8.792 6.687 -4.015 369 HA CYS 48 HA CYS 48 7.704 4.192 -4.437 370 HB2 CYS 48 2HB CYS 48 6.777 6.765 -4.589 371 HB3 CYS 48 3HB CYS 48 6.676 6.250 -6.269 372 HA PRO 49 HA PRO 49 9.569 2.705 -8.146 373 HB2 PRO 49 2HB PRO 49 7.738 0.800 -8.766 374 HB3 PRO 49 3HB PRO 49 8.907 0.617 -7.453 375 HG2 PRO 49 2HG PRO 49 6.027 1.429 -7.327 376 HG3 PRO 49 3HG PRO 49 6.924 0.317 -6.276 377 HD2 PRO 49 2HD PRO 49 6.386 2.875 -5.570 378 HD3 PRO 49 3HD PRO 49 7.858 2.031 -5.049 379 H THR 50 HN THR 50 6.861 4.587 -8.013 380 HA THR 50 HA THR 50 6.683 4.691 -10.945 381 HB THR 50 HB THR 50 4.712 3.459 -10.019 382 HG1 THR 50 1HG THR 50 3.170 5.064 -11.064 383 HG21 THR 50 1HG2 THR 50 3.054 4.593 -8.727 384 HG22 THR 50 2HG2 THR 50 3.916 6.126 -8.861 385 HG23 THR 50 3HG2 THR 50 4.598 4.812 -7.904 386 H CYS 51 HN CYS 51 5.730 6.341 -7.934 387 HA CYS 51 HA CYS 51 5.953 8.918 -9.301 388 HB2 CYS 51 2HB CYS 51 4.628 9.835 -7.620 389 HB3 CYS 51 3HB CYS 51 3.979 8.204 -7.765 390 H ARG 52 HN ARG 52 7.900 6.866 -7.602 391 HA ARG 52 HA ARG 52 9.705 7.132 -6.177 392 HB2 ARG 52 2HB ARG 52 10.514 9.352 -8.016 393 HB3 ARG 52 3HB ARG 52 11.487 8.048 -7.350 394 HG2 ARG 52 2HG ARG 52 9.297 7.455 -9.294 395 HG3 ARG 52 3HG ARG 52 10.872 8.018 -9.855 396 HD2 ARG 52 2HD ARG 52 11.181 5.932 -7.897 397 HD3 ARG 52 3HD ARG 52 10.124 5.399 -9.203 398 HE ARG 52 HE ARG 52 12.938 5.823 -9.345 399 HH11 ARG 52 1HH1 ARG 52 9.987 5.984 -11.184 400 HH12 ARG 52 2HH1 ARG 52 10.772 5.744 -12.711 401 HH21 ARG 52 1HH2 ARG 52 13.984 5.507 -11.348 402 HH22 ARG 52 2HH2 ARG 52 13.045 5.472 -12.802 403 H MET 53 HN MET 53 8.025 8.195 -4.634 404 HA MET 53 HA MET 53 9.079 10.845 -3.906 405 HB2 MET 53 2HB MET 53 6.675 10.743 -4.881 406 HB3 MET 53 3HB MET 53 6.242 10.052 -3.323 407 HG2 MET 53 2HG MET 53 7.400 12.114 -2.320 408 HG3 MET 53 3HG MET 53 7.274 12.789 -3.943 409 HE1 MET 53 1HE MET 53 4.473 10.441 -2.094 410 HE2 MET 53 2HE MET 53 5.518 11.281 -0.948 411 HE3 MET 53 3HE MET 53 3.825 11.751 -1.106 412 H ASP 54 HN ASP 54 10.055 10.804 -2.002 413 HA ASP 54 HA ASP 54 10.458 8.767 -0.312 414 HB2 ASP 54 2HB ASP 54 11.623 10.709 0.232 415 HB3 ASP 54 3HB ASP 54 10.166 11.699 0.243 416 H VAL 55 HN VAL 55 9.308 7.481 0.968 417 HA VAL 55 HA VAL 55 6.651 8.399 1.857 418 HB VAL 55 HB VAL 55 6.000 5.942 1.782 419 HG11 VAL 55 1HG1 VAL 55 5.820 7.948 -0.095 420 HG12 VAL 55 2HG1 VAL 55 6.438 6.581 -1.024 421 HG13 VAL 55 3HG1 VAL 55 4.932 6.425 -0.118 422 HG21 VAL 55 1HG2 VAL 55 8.029 4.800 1.575 423 HG22 VAL 55 2HG2 VAL 55 7.310 4.686 -0.032 424 HG23 VAL 55 3HG2 VAL 55 8.596 5.853 0.278 425 H LEU 56 HN LEU 56 9.224 6.023 2.508 426 HA LEU 56 HA LEU 56 8.466 5.243 5.047 427 HB2 LEU 56 2HB LEU 56 11.103 5.463 3.666 428 HB3 LEU 56 3HB LEU 56 11.056 5.047 5.378 429 HG LEU 56 HG LEU 56 9.306 3.241 4.409 430 HD11 LEU 56 1HD1 LEU 56 11.400 3.319 2.268 431 HD12 LEU 56 2HD1 LEU 56 9.869 4.175 2.082 432 HD13 LEU 56 3HD1 LEU 56 9.879 2.426 2.307 433 HD21 LEU 56 1HD2 LEU 56 11.694 1.929 4.090 434 HD22 LEU 56 2HD2 LEU 56 10.844 2.162 5.619 435 HD23 LEU 56 3HD2 LEU 56 12.128 3.275 5.145 Start of MODEL 3 1 H1 ALA 1 HN ALA 1 -4.216 -3.561 0.254 2 HA ALA 1 HA ALA 1 -6.101 -1.923 -0.526 3 HB1 ALA 1 1HB ALA 1 -5.436 -2.317 -2.949 4 HB2 ALA 1 2HB ALA 1 -4.136 -1.945 -1.815 5 HB3 ALA 1 3HB ALA 1 -4.400 -3.608 -2.340 6 H THR 2 HN THR 2 -7.996 -1.828 -1.718 7 HA THR 2 HA THR 2 -9.501 -4.325 -1.808 8 HB THR 2 HB THR 2 -11.238 -2.348 -2.634 9 HG1 THR 2 1HG THR 2 -10.485 -0.952 -0.537 10 HG21 THR 2 1HG2 THR 2 -11.394 -4.188 -0.832 11 HG22 THR 2 2HG2 THR 2 -12.317 -2.704 -0.594 12 HG23 THR 2 3HG2 THR 2 -10.802 -2.949 0.273 13 HA PRO 3 HA PRO 3 -9.584 -4.800 -6.170 14 HB2 PRO 3 2HB PRO 3 -12.185 -5.383 -6.688 15 HB3 PRO 3 3HB PRO 3 -11.089 -6.512 -5.882 16 HG2 PRO 3 2HG PRO 3 -13.140 -4.685 -4.691 17 HG3 PRO 3 3HG PRO 3 -12.774 -6.372 -4.286 18 HD2 PRO 3 2HD PRO 3 -11.872 -4.290 -2.808 19 HD3 PRO 3 3HD PRO 3 -10.954 -5.799 -2.992 20 H GLU 4 HN GLU 4 -12.317 -2.825 -5.022 21 HA GLU 4 HA GLU 4 -12.874 -1.538 -7.442 22 HB2 GLU 4 2HB GLU 4 -13.974 -1.510 -4.950 23 HB3 GLU 4 3HB GLU 4 -13.236 0.084 -5.010 24 HG2 GLU 4 2HG GLU 4 -14.423 0.295 -7.291 25 HG3 GLU 4 3HG GLU 4 -15.406 -1.052 -6.719 26 H GLU 5 HN GLU 5 -10.703 -0.622 -4.793 27 HA GLU 5 HA GLU 5 -9.877 1.817 -6.043 28 HB2 GLU 5 2HB GLU 5 -8.483 0.294 -3.837 29 HB3 GLU 5 3HB GLU 5 -8.277 1.992 -4.242 30 HG2 GLU 5 2HG GLU 5 -11.042 1.348 -3.692 31 HG3 GLU 5 3HG GLU 5 -9.985 0.934 -2.343 32 H LEU 6 HN LEU 6 -8.675 -1.479 -5.931 33 HA LEU 6 HA LEU 6 -6.126 -0.974 -7.046 34 HB2 LEU 6 2HB LEU 6 -7.840 -3.350 -6.605 35 HB3 LEU 6 3HB LEU 6 -6.552 -3.500 -7.798 36 HG LEU 6 HG LEU 6 -6.018 -2.573 -4.990 37 HD11 LEU 6 1HD1 LEU 6 -6.344 -5.354 -6.042 38 HD12 LEU 6 2HD1 LEU 6 -6.944 -4.649 -4.541 39 HD13 LEU 6 3HD1 LEU 6 -5.228 -5.013 -4.720 40 HD21 LEU 6 1HD2 LEU 6 -3.762 -3.269 -5.479 41 HD22 LEU 6 2HD2 LEU 6 -4.315 -2.167 -6.738 42 HD23 LEU 6 3HD2 LEU 6 -4.259 -3.903 -7.047 43 H GLN 7 HN GLN 7 -9.217 -1.946 -8.494 44 HA GLN 7 HA GLN 7 -8.233 -2.105 -11.148 45 HB2 GLN 7 2HB GLN 7 -10.594 -2.763 -9.877 46 HB3 GLN 7 3HB GLN 7 -11.064 -1.418 -10.907 47 HG2 GLN 7 2HG GLN 7 -9.494 -3.035 -12.532 48 HG3 GLN 7 3HG GLN 7 -10.485 -4.154 -11.598 49 HE21 GLN 7 1HE2 GLN 7 -12.848 -3.236 -11.380 50 HE22 GLN 7 2HE2 GLN 7 -13.569 -2.786 -12.884 51 H ALA 8 HN ALA 8 -8.549 0.516 -9.177 52 HA ALA 8 HA ALA 8 -9.318 2.375 -11.303 53 HB1 ALA 8 1HB ALA 8 -8.679 3.093 -8.454 54 HB2 ALA 8 2HB ALA 8 -9.617 4.012 -9.633 55 HB3 ALA 8 3HB ALA 8 -10.271 2.520 -8.957 56 H MET 9 HN MET 9 -6.630 0.846 -10.749 57 HA MET 9 HA MET 9 -4.966 3.034 -11.663 58 HB2 MET 9 2HB MET 9 -3.238 2.698 -9.960 59 HB3 MET 9 3HB MET 9 -4.752 3.219 -9.233 60 HG2 MET 9 2HG MET 9 -4.948 1.358 -8.026 61 HG3 MET 9 3HG MET 9 -4.482 0.324 -9.375 62 HE1 MET 9 1HE MET 9 -2.244 -0.454 -9.940 63 HE2 MET 9 2HE MET 9 -1.486 1.124 -10.152 64 HE3 MET 9 3HE MET 9 -0.736 -0.082 -9.104 65 H ASP 10 HN ASP 10 -6.010 0.415 -12.611 66 HA ASP 10 HA ASP 10 -5.221 -1.133 -14.106 67 HB2 ASP 10 2HB ASP 10 -3.294 0.621 -14.343 68 HB3 ASP 10 3HB ASP 10 -2.376 -0.531 -13.377 69 H ASN 11 HN ASN 11 -4.579 -0.984 -10.830 70 HA ASN 11 HA ASN 11 -3.866 -2.495 -9.249 71 HB2 ASN 11 2HB ASN 11 -5.303 -4.338 -9.117 72 HB3 ASN 11 3HB ASN 11 -6.216 -3.188 -10.088 73 HD21 ASN 11 1HD2 ASN 11 -4.763 -6.264 -9.958 74 HD22 ASN 11 2HD2 ASN 11 -5.149 -6.772 -11.564 75 H VAL 12 HN VAL 12 -1.991 -2.203 -11.412 76 HA VAL 12 HA VAL 12 -0.840 -4.918 -11.475 77 HB VAL 12 HB VAL 12 -0.834 -2.747 -13.540 78 HG11 VAL 12 1HG1 VAL 12 1.517 -3.237 -13.166 79 HG12 VAL 12 2HG1 VAL 12 1.201 -4.965 -13.333 80 HG13 VAL 12 3HG1 VAL 12 0.990 -3.891 -14.716 81 HG21 VAL 12 1HG2 VAL 12 -1.961 -4.226 -14.788 82 HG22 VAL 12 2HG2 VAL 12 -0.896 -5.558 -14.339 83 HG23 VAL 12 3HG2 VAL 12 -2.222 -5.094 -13.275 84 H CYS 13 HN CYS 13 1.053 -5.188 -10.489 85 HA CYS 13 HA CYS 13 2.303 -3.054 -9.092 86 HB2 CYS 13 2HB CYS 13 2.363 -5.309 -8.199 87 HB3 CYS 13 3HB CYS 13 3.222 -5.887 -9.623 88 H ILE 14 HN ILE 14 3.577 -1.560 -9.943 89 HA ILE 14 HA ILE 14 4.667 -1.723 -12.548 90 HB ILE 14 HB ILE 14 4.103 0.378 -11.138 91 HG12 ILE 14 2HG1 ILE 14 4.941 0.552 -13.388 92 HG13 ILE 14 3HG1 ILE 14 5.830 1.695 -12.387 93 HG21 ILE 14 1HG2 ILE 14 6.963 -0.078 -10.295 94 HG22 ILE 14 2HG2 ILE 14 6.004 1.365 -9.972 95 HG23 ILE 14 3HG2 ILE 14 5.549 -0.176 -9.245 96 HD11 ILE 14 1HD1 ILE 14 7.493 0.756 -13.665 97 HD12 ILE 14 2HD1 ILE 14 7.563 -0.223 -12.198 98 HD13 ILE 14 3HD1 ILE 14 6.757 -0.846 -13.637 99 H ILE 15 HN ILE 15 6.136 -1.992 -9.326 100 HA ILE 15 HA ILE 15 8.763 -2.119 -9.730 101 HB ILE 15 HB ILE 15 7.222 -4.235 -8.221 102 HG12 ILE 15 2HG1 ILE 15 8.610 -1.943 -6.910 103 HG13 ILE 15 3HG1 ILE 15 7.080 -1.624 -7.719 104 HG21 ILE 15 1HG2 ILE 15 9.562 -4.000 -6.907 105 HG22 ILE 15 2HG2 ILE 15 9.255 -5.206 -8.155 106 HG23 ILE 15 3HG2 ILE 15 10.101 -3.712 -8.561 107 HD11 ILE 15 1HD1 ILE 15 6.169 -3.576 -6.337 108 HD12 ILE 15 2HD1 ILE 15 7.627 -3.382 -5.363 109 HD13 ILE 15 3HD1 ILE 15 6.486 -2.048 -5.517 110 H CYS 16 HN CYS 16 6.580 -4.821 -10.504 111 HA CYS 16 HA CYS 16 8.711 -5.932 -12.210 112 HB2 CYS 16 2HB CYS 16 7.644 -8.143 -11.862 113 HB3 CYS 16 3HB CYS 16 8.226 -7.430 -10.362 114 H ARG 17 HN ARG 17 5.849 -4.314 -12.281 115 HA ARG 17 HA ARG 17 4.177 -4.015 -13.806 116 HB2 ARG 17 2HB ARG 17 6.572 -4.691 -15.488 117 HB3 ARG 17 3HB ARG 17 5.015 -4.365 -16.239 118 HG2 ARG 17 2HG ARG 17 5.200 -2.230 -14.616 119 HG3 ARG 17 3HG ARG 17 6.910 -2.533 -14.932 120 HD2 ARG 17 2HD ARG 17 4.816 -2.300 -17.083 121 HD3 ARG 17 3HD ARG 17 5.809 -0.953 -16.531 122 HE ARG 17 HE ARG 17 7.444 -3.136 -17.274 123 HH11 ARG 17 1HH1 ARG 17 5.446 -0.630 -18.633 124 HH12 ARG 17 2HH1 ARG 17 6.325 -0.556 -20.123 125 HH21 ARG 17 1HH2 ARG 17 8.610 -3.048 -19.233 126 HH22 ARG 17 2HH2 ARG 17 8.124 -1.932 -20.464 127 H GLU 18 HN GLU 18 3.412 -6.131 -12.654 128 HA GLU 18 HA GLU 18 2.901 -8.137 -14.751 129 HB2 GLU 18 2HB GLU 18 3.367 -8.521 -11.799 130 HB3 GLU 18 3HB GLU 18 2.608 -9.753 -12.797 131 HG2 GLU 18 2HG GLU 18 5.278 -8.599 -13.509 132 HG3 GLU 18 3HG GLU 18 5.121 -9.923 -12.356 133 H GLU 19 HN GLU 19 1.458 -8.252 -11.590 134 HA GLU 19 HA GLU 19 -0.900 -6.801 -12.159 135 HB2 GLU 19 2HB GLU 19 -0.818 -9.268 -13.443 136 HB3 GLU 19 3HB GLU 19 -1.793 -9.564 -12.009 137 HG2 GLU 19 2HG GLU 19 -3.514 -8.765 -13.148 138 HG3 GLU 19 3HG GLU 19 -2.770 -7.174 -12.997 139 H MET 20 HN MET 20 -2.315 -6.721 -10.399 140 HA MET 20 HA MET 20 -1.435 -8.202 -8.009 141 HB2 MET 20 2HB MET 20 -1.989 -5.295 -8.384 142 HB3 MET 20 3HB MET 20 -2.405 -6.029 -6.841 143 HG2 MET 20 2HG MET 20 -0.140 -6.697 -6.472 144 HG3 MET 20 3HG MET 20 0.322 -6.189 -8.096 145 HE1 MET 20 1HE MET 20 0.405 -2.584 -8.209 146 HE2 MET 20 2HE MET 20 -0.454 -3.949 -8.923 147 HE3 MET 20 3HE MET 20 -1.309 -2.824 -7.865 148 H VAL 21 HN VAL 21 -3.018 -9.750 -8.036 149 HA VAL 21 HA VAL 21 -5.813 -8.913 -8.221 150 HB VAL 21 HB VAL 21 -6.214 -11.440 -8.067 151 HG11 VAL 21 1HG1 VAL 21 -4.611 -10.932 -10.498 152 HG12 VAL 21 2HG1 VAL 21 -6.266 -11.523 -10.330 153 HG13 VAL 21 3HG1 VAL 21 -5.922 -9.801 -10.165 154 HG21 VAL 21 1HG2 VAL 21 -4.450 -12.929 -8.367 155 HG22 VAL 21 2HG2 VAL 21 -3.345 -11.665 -8.904 156 HG23 VAL 21 3HG2 VAL 21 -3.805 -11.769 -7.205 157 H THR 22 HN THR 22 -3.460 -9.970 -5.913 158 HA THR 22 HA THR 22 -5.007 -9.221 -3.694 159 HB THR 22 HB THR 22 -6.272 -11.287 -4.264 160 HG1 THR 22 1HG THR 22 -6.190 -12.100 -2.114 161 HG21 THR 22 1HG2 THR 22 -4.280 -12.535 -5.140 162 HG22 THR 22 2HG2 THR 22 -5.284 -13.454 -4.019 163 HG23 THR 22 3HG2 THR 22 -3.761 -12.756 -3.469 164 H GLY 23 HN GLY 23 -3.878 -9.433 -1.704 165 HA2 GLY 23 1HA GLY 23 -2.047 -9.865 -0.338 166 HA3 GLY 23 2HA GLY 23 -1.313 -10.767 -1.654 167 H ALA 24 HN ALA 24 -2.402 -7.390 -1.350 168 HA ALA 24 HA ALA 24 0.358 -6.492 -1.702 169 HB1 ALA 24 1HB ALA 24 -0.370 -4.878 -3.463 170 HB2 ALA 24 2HB ALA 24 -0.413 -6.570 -3.962 171 HB3 ALA 24 3HB ALA 24 -1.909 -5.737 -3.537 172 H LYS 25 HN LYS 25 0.643 -4.198 -1.242 173 HA LYS 25 HA LYS 25 -1.376 -3.235 0.673 174 HB2 LYS 25 2HB LYS 25 1.515 -2.382 0.552 175 HB3 LYS 25 3HB LYS 25 0.369 -2.128 1.862 176 HG2 LYS 25 2HG LYS 25 1.501 -4.778 0.986 177 HG3 LYS 25 3HG LYS 25 1.966 -3.865 2.424 178 HD2 LYS 25 2HD LYS 25 -0.850 -4.151 2.471 179 HD3 LYS 25 3HD LYS 25 -0.163 -5.735 2.101 180 HE2 LYS 25 2HE LYS 25 -0.056 -5.841 4.367 181 HE3 LYS 25 3HE LYS 25 1.483 -5.035 4.071 182 HZ1 LYS 25 1HZ LYS 25 -0.643 -4.118 5.602 183 HZ2 LYS 25 2HZ LYS 25 -0.572 -3.114 4.242 184 HZ3 LYS 25 3HZ LYS 25 0.790 -3.298 5.230 185 H ARG 26 HN ARG 26 -1.166 -0.729 0.954 186 HA ARG 26 HA ARG 26 -1.073 0.490 -1.727 187 HB2 ARG 26 2HB ARG 26 -3.389 0.249 -1.000 188 HB3 ARG 26 3HB ARG 26 -3.021 1.068 0.512 189 HG2 ARG 26 2HG ARG 26 -2.480 3.109 -0.748 190 HG3 ARG 26 3HG ARG 26 -2.919 2.279 -2.242 191 HD2 ARG 26 2HD ARG 26 -4.673 3.786 -1.105 192 HD3 ARG 26 3HD ARG 26 -5.172 2.198 -1.683 193 HE ARG 26 HE ARG 26 -5.571 1.573 0.484 194 HH11 ARG 26 1HH1 ARG 26 -3.650 4.476 0.464 195 HH12 ARG 26 2HH1 ARG 26 -3.776 4.726 2.174 196 HH21 ARG 26 1HH2 ARG 26 -5.744 1.891 2.736 197 HH22 ARG 26 2HH2 ARG 26 -4.966 3.255 3.465 198 H LEU 27 HN LEU 27 -0.299 2.600 -1.879 199 HA LEU 27 HA LEU 27 1.315 3.454 0.413 200 HB2 LEU 27 2HB LEU 27 1.449 4.075 -2.525 201 HB3 LEU 27 3HB LEU 27 2.389 4.958 -1.324 202 HG LEU 27 HG LEU 27 2.602 2.008 -1.919 203 HD11 LEU 27 1HD1 LEU 27 4.488 2.441 -3.142 204 HD12 LEU 27 2HD1 LEU 27 4.793 3.980 -2.337 205 HD13 LEU 27 3HD1 LEU 27 3.513 3.854 -3.543 206 HD21 LEU 27 1HD2 LEU 27 4.732 2.395 -0.481 207 HD22 LEU 27 2HD2 LEU 27 3.177 2.145 0.314 208 HD23 LEU 27 3HD2 LEU 27 3.834 3.775 0.153 209 HA PRO 28 HA PRO 28 -1.155 6.989 1.242 210 HB2 PRO 28 2HB PRO 28 0.731 8.754 2.076 211 HB3 PRO 28 3HB PRO 28 0.214 7.370 3.046 212 HG2 PRO 28 2HG PRO 28 2.636 7.668 1.312 213 HG3 PRO 28 3HG PRO 28 2.499 6.952 2.929 214 HD2 PRO 28 2HD PRO 28 2.603 5.454 0.675 215 HD3 PRO 28 3HD PRO 28 1.686 4.955 2.113 216 H CYS 29 HN CYS 29 0.862 6.818 -1.370 217 HA CYS 29 HA CYS 29 0.303 9.578 -2.224 218 HB2 CYS 29 2HB CYS 29 2.035 9.016 -4.030 219 HB3 CYS 29 3HB CYS 29 2.625 9.227 -2.384 220 H ASN 30 HN ASN 30 -1.004 6.609 -2.451 221 HA ASN 30 HA ASN 30 -2.762 5.895 -3.752 222 HB2 ASN 30 2HB ASN 30 -2.840 8.454 -4.404 223 HB3 ASN 30 3HB ASN 30 -2.161 7.866 -5.920 224 HD21 ASN 30 1HD2 ASN 30 -4.947 8.101 -3.947 225 HD22 ASN 30 2HD2 ASN 30 -6.053 7.331 -5.028 226 H HIS 31 HN HIS 31 -0.501 4.522 -3.777 227 HA HIS 31 HA HIS 31 -0.399 3.488 -6.486 228 HB2 HIS 31 2HB HIS 31 2.103 4.415 -5.059 229 HB3 HIS 31 3HB HIS 31 2.071 3.509 -6.569 230 HD2 HIS 31 2HD HIS 31 0.198 5.147 -8.466 231 HE1 HIS 31 1HE HIS 31 2.214 8.640 -7.150 232 HE2 HIS 31 2HE HIS 31 0.655 7.661 -8.869 233 H ILE 32 HN ILE 32 -0.941 1.439 -6.117 234 HA ILE 32 HA ILE 32 0.047 0.083 -3.723 235 HB ILE 32 HB ILE 32 -2.054 -0.671 -5.750 236 HG12 ILE 32 2HG1 ILE 32 -2.624 -0.600 -2.853 237 HG13 ILE 32 3HG1 ILE 32 -2.238 0.956 -3.578 238 HG21 ILE 32 1HG2 ILE 32 -1.658 -2.808 -5.278 239 HG22 ILE 32 2HG2 ILE 32 -0.487 -2.381 -4.031 240 HG23 ILE 32 3HG2 ILE 32 -2.203 -2.470 -3.635 241 HD11 ILE 32 1HD1 ILE 32 -4.133 -0.562 -5.162 242 HD12 ILE 32 2HD1 ILE 32 -4.705 -0.250 -3.523 243 HD13 ILE 32 3HD1 ILE 32 -4.224 1.093 -4.559 244 H PHE 33 HN PHE 33 1.429 -1.617 -3.752 245 HA PHE 33 HA PHE 33 2.205 -2.802 -6.302 246 HB2 PHE 33 2HB PHE 33 4.258 -1.648 -4.406 247 HB3 PHE 33 3HB PHE 33 4.573 -2.437 -5.949 248 HD1 PHE 33 1HD PHE 33 3.762 -1.328 -8.059 249 HD2 PHE 33 2HD PHE 33 3.819 0.646 -4.289 250 HE1 PHE 33 1HE PHE 33 3.634 0.849 -9.200 251 HE2 PHE 33 2HE PHE 33 3.690 2.826 -5.424 252 HZ PHE 33 HZ PHE 33 3.596 2.929 -7.883 253 H HIS 34 HN HIS 34 3.179 -4.847 -6.119 254 HA HIS 34 HA HIS 34 2.233 -6.622 -4.333 255 HB2 HIS 34 2HB HIS 34 4.897 -6.591 -5.738 256 HB3 HIS 34 3HB HIS 34 4.394 -7.954 -4.743 257 HD2 HIS 34 2HD HIS 34 1.258 -8.084 -5.841 258 HE1 HIS 34 1HE HIS 34 3.125 -8.684 -9.603 259 HE2 HIS 34 2HE HIS 34 0.971 -8.819 -8.304 260 H THR 35 HN THR 35 2.630 -7.329 -2.297 261 HA THR 35 HA THR 35 3.990 -5.596 -0.504 262 HB THR 35 HB THR 35 3.071 -8.415 0.075 263 HG1 THR 35 1HG THR 35 1.077 -7.507 0.559 264 HG21 THR 35 1HG2 THR 35 4.411 -6.526 1.646 265 HG22 THR 35 2HG2 THR 35 3.609 -7.996 2.199 266 HG23 THR 35 3HG2 THR 35 2.730 -6.468 2.174 267 H SER 36 HN SER 36 5.014 -8.223 -2.426 268 HA SER 36 HA SER 36 7.340 -8.777 -0.749 269 HB2 SER 36 2HB SER 36 7.329 -10.165 -3.290 270 HB3 SER 36 3HB SER 36 7.286 -10.827 -1.656 271 HG SER 36 HG SER 36 5.241 -10.410 -3.443 272 H CYS 37 HN CYS 37 6.428 -7.000 -3.546 273 HA CYS 37 HA CYS 37 9.121 -6.780 -4.590 274 HB2 CYS 37 2HB CYS 37 6.513 -5.470 -5.377 275 HB3 CYS 37 3HB CYS 37 8.044 -5.156 -6.188 276 H LEU 38 HN LEU 38 6.912 -4.915 -2.618 277 HA LEU 38 HA LEU 38 8.382 -2.478 -2.708 278 HB2 LEU 38 2HB LEU 38 6.209 -3.570 -0.967 279 HB3 LEU 38 3HB LEU 38 7.029 -2.073 -0.528 280 HG LEU 38 HG LEU 38 5.350 -2.605 -2.973 281 HD11 LEU 38 1HD1 LEU 38 3.778 -1.236 -2.044 282 HD12 LEU 38 2HD1 LEU 38 4.958 -0.340 -1.088 283 HD13 LEU 38 3HD1 LEU 38 4.454 -1.953 -0.581 284 HD21 LEU 38 1HD2 LEU 38 7.155 -1.308 -3.775 285 HD22 LEU 38 2HD2 LEU 38 7.173 -0.299 -2.329 286 HD23 LEU 38 3HD2 LEU 38 5.837 -0.177 -3.475 287 H ARG 39 HN ARG 39 8.359 -5.270 -0.557 288 HA ARG 39 HA ARG 39 9.967 -4.226 1.487 289 HB2 ARG 39 2HB ARG 39 10.493 -6.624 1.986 290 HB3 ARG 39 3HB ARG 39 8.775 -6.270 1.857 291 HG2 ARG 39 2HG ARG 39 8.828 -7.130 -0.470 292 HG3 ARG 39 3HG ARG 39 10.508 -7.602 -0.212 293 HD2 ARG 39 2HD ARG 39 9.668 -8.925 1.787 294 HD3 ARG 39 3HD ARG 39 8.045 -8.649 1.158 295 HE ARG 39 HE ARG 39 9.612 -9.697 -0.904 296 HH11 ARG 39 1HH1 ARG 39 8.298 -10.665 2.171 297 HH12 ARG 39 2HH1 ARG 39 8.188 -12.341 1.744 298 HH21 ARG 39 1HH2 ARG 39 9.474 -11.901 -1.478 299 HH22 ARG 39 2HH2 ARG 39 8.859 -13.042 -0.331 300 H SER 40 HN SER 40 10.869 -6.144 -1.374 301 HA SER 40 HA SER 40 13.679 -5.883 -0.835 302 HB2 SER 40 2HB SER 40 12.116 -7.585 -2.388 303 HB3 SER 40 3HB SER 40 13.021 -6.637 -3.568 304 HG SER 40 HG SER 40 14.311 -8.338 -3.039 305 H TRP 41 HN TRP 41 11.309 -4.001 -2.416 306 HA TRP 41 HA TRP 41 13.086 -2.658 -4.231 307 HB2 TRP 41 2HB TRP 41 10.787 -2.761 -4.867 308 HB3 TRP 41 3HB TRP 41 10.263 -2.097 -3.321 309 HD1 TRP 41 1HD TRP 41 10.398 0.538 -3.005 310 HE1 TRP 41 1HE TRP 41 10.696 2.476 -4.674 311 HE3 TRP 41 3HE TRP 41 11.978 -2.129 -7.070 312 HZ2 TRP 41 2HZ TRP 41 11.494 2.825 -7.358 313 HZ3 TRP 41 3HZ TRP 41 12.487 -0.917 -9.151 314 HH2 TRP 41 2HH TRP 41 12.249 1.508 -9.290 315 H PHE 42 HN PHE 42 11.488 -1.787 -1.174 316 HA PHE 42 HA PHE 42 12.839 0.733 -0.995 317 HB2 PHE 42 2HB PHE 42 11.111 -0.847 0.898 318 HB3 PHE 42 3HB PHE 42 11.904 0.642 1.401 319 HD1 PHE 42 1HD PHE 42 11.638 2.422 -0.817 320 HD2 PHE 42 2HD PHE 42 8.864 -0.457 0.645 321 HE1 PHE 42 1HE PHE 42 9.783 3.731 -1.766 322 HE2 PHE 42 2HE PHE 42 7.006 0.847 -0.302 323 HZ PHE 42 HZ PHE 42 7.464 2.943 -1.510 324 H GLN 43 HN GLN 43 13.684 -2.472 -0.286 325 HA GLN 43 HA GLN 43 15.309 -2.220 1.963 326 HB2 GLN 43 2HB GLN 43 15.097 -4.114 -0.298 327 HB3 GLN 43 3HB GLN 43 16.632 -4.114 0.559 328 HG2 GLN 43 2HG GLN 43 14.289 -4.154 2.307 329 HG3 GLN 43 3HG GLN 43 14.438 -5.563 1.257 330 HE21 GLN 43 1HE2 GLN 43 15.375 -7.172 2.271 331 HE22 GLN 43 2HE2 GLN 43 16.698 -7.057 3.376 332 H ARG 44 HN ARG 44 15.840 -1.257 -1.332 333 HA ARG 44 HA ARG 44 18.526 -0.308 -0.578 334 HB2 ARG 44 2HB ARG 44 17.669 -1.209 -3.333 335 HB3 ARG 44 3HB ARG 44 19.279 -0.686 -2.853 336 HG2 ARG 44 2HG ARG 44 19.382 -2.625 -1.303 337 HG3 ARG 44 3HG ARG 44 17.839 -3.174 -1.964 338 HD2 ARG 44 2HD ARG 44 20.439 -2.828 -3.449 339 HD3 ARG 44 3HD ARG 44 19.628 -4.346 -3.067 340 HE ARG 44 HE ARG 44 17.768 -3.095 -4.520 341 HH11 ARG 44 1HH1 ARG 44 21.178 -3.552 -5.053 342 HH12 ARG 44 2HH1 ARG 44 21.040 -3.557 -6.780 343 HH21 ARG 44 1HH2 ARG 44 17.573 -3.098 -6.793 344 HH22 ARG 44 2HH2 ARG 44 18.989 -3.297 -7.768 345 H GLN 45 HN GLN 45 15.446 0.403 -1.905 346 HA GLN 45 HA GLN 45 16.363 3.094 -2.675 347 HB2 GLN 45 2HB GLN 45 13.743 1.924 -3.551 348 HB3 GLN 45 3HB GLN 45 14.683 3.210 -4.296 349 HG2 GLN 45 2HG GLN 45 15.157 0.254 -4.385 350 HG3 GLN 45 3HG GLN 45 14.917 1.377 -5.722 351 HE21 GLN 45 1HE2 GLN 45 17.057 -0.491 -5.396 352 HE22 GLN 45 2HE2 GLN 45 18.523 0.419 -5.324 353 H GLN 46 HN GLN 46 14.734 4.834 -2.335 354 HA GLN 46 HA GLN 46 12.987 4.331 -0.031 355 HB2 GLN 46 2HB GLN 46 15.223 5.326 0.651 356 HB3 GLN 46 3HB GLN 46 14.747 6.773 -0.229 357 HG2 GLN 46 2HG GLN 46 12.575 6.315 1.372 358 HG3 GLN 46 3HG GLN 46 13.921 5.815 2.394 359 HE21 GLN 46 1HE2 GLN 46 14.590 7.371 3.667 360 HE22 GLN 46 2HE2 GLN 46 14.646 9.054 3.287 361 H THR 47 HN THR 47 12.549 4.742 -2.932 362 HA THR 47 HA THR 47 10.658 6.975 -2.691 363 HB THR 47 HB THR 47 11.507 6.910 -5.393 364 HG1 THR 47 1HG THR 47 13.470 6.000 -4.686 365 HG21 THR 47 1HG2 THR 47 12.243 8.978 -3.331 366 HG22 THR 47 2HG2 THR 47 10.610 8.814 -3.975 367 HG23 THR 47 3HG2 THR 47 11.948 9.213 -5.052 368 H CYS 48 HN CYS 48 8.937 6.910 -4.334 369 HA CYS 48 HA CYS 48 7.793 4.333 -4.517 370 HB2 CYS 48 2HB CYS 48 6.837 6.889 -4.705 371 HB3 CYS 48 3HB CYS 48 6.754 6.358 -6.382 372 HA PRO 49 HA PRO 49 9.680 2.803 -8.199 373 HB2 PRO 49 2HB PRO 49 7.874 0.862 -8.782 374 HB3 PRO 49 3HB PRO 49 9.046 0.719 -7.468 375 HG2 PRO 49 2HG PRO 49 6.157 1.494 -7.353 376 HG3 PRO 49 3HG PRO 49 7.069 0.415 -6.282 377 HD2 PRO 49 2HD PRO 49 6.497 2.978 -5.622 378 HD3 PRO 49 3HD PRO 49 7.981 2.162 -5.089 379 H THR 50 HN THR 50 6.971 4.671 -8.102 380 HA THR 50 HA THR 50 6.788 4.719 -11.033 381 HB THR 50 HB THR 50 4.837 3.460 -10.079 382 HG1 THR 50 1HG THR 50 3.278 5.033 -11.181 383 HG21 THR 50 1HG2 THR 50 3.989 6.152 -9.012 384 HG22 THR 50 2HG2 THR 50 4.665 4.868 -8.009 385 HG23 THR 50 3HG2 THR 50 3.137 4.615 -8.852 386 H CYS 51 HN CYS 51 5.807 6.386 -8.041 387 HA CYS 51 HA CYS 51 5.971 8.952 -9.440 388 HB2 CYS 51 2HB CYS 51 4.615 9.854 -7.787 389 HB3 CYS 51 3HB CYS 51 4.023 8.198 -7.873 390 H ARG 52 HN ARG 52 7.986 6.966 -7.767 391 HA ARG 52 HA ARG 52 9.793 7.276 -6.355 392 HB2 ARG 52 2HB ARG 52 10.174 8.239 -8.922 393 HB3 ARG 52 3HB ARG 52 10.780 9.541 -7.908 394 HG2 ARG 52 2HG ARG 52 12.346 8.081 -6.848 395 HG3 ARG 52 3HG ARG 52 11.642 6.671 -7.644 396 HD2 ARG 52 2HD ARG 52 13.330 6.991 -9.105 397 HD3 ARG 52 3HD ARG 52 12.227 8.181 -9.793 398 HE ARG 52 HE ARG 52 13.634 9.558 -7.900 399 HH11 ARG 52 1HH1 ARG 52 14.465 7.651 -10.691 400 HH12 ARG 52 2HH1 ARG 52 15.912 8.540 -11.031 401 HH21 ARG 52 1HH2 ARG 52 15.537 10.737 -8.337 402 HH22 ARG 52 2HH2 ARG 52 16.522 10.294 -9.690 403 H MET 53 HN MET 53 7.719 8.517 -5.125 404 HA MET 53 HA MET 53 8.781 11.136 -4.303 405 HB2 MET 53 2HB MET 53 6.434 11.037 -5.198 406 HB3 MET 53 3HB MET 53 6.008 10.044 -3.811 407 HG2 MET 53 2HG MET 53 7.342 12.388 -2.893 408 HG3 MET 53 3HG MET 53 6.057 12.853 -4.005 409 HE1 MET 53 1HE MET 53 3.451 12.822 -3.310 410 HE2 MET 53 2HE MET 53 3.796 11.183 -3.859 411 HE3 MET 53 3HE MET 53 2.870 11.441 -2.380 412 H ASP 54 HN ASP 54 9.771 11.239 -2.406 413 HA ASP 54 HA ASP 54 10.350 9.224 -0.701 414 HB2 ASP 54 2HB ASP 54 11.402 11.365 -0.429 415 HB3 ASP 54 3HB ASP 54 9.867 12.128 -0.026 416 H VAL 55 HN VAL 55 9.198 7.866 0.485 417 HA VAL 55 HA VAL 55 6.553 8.735 1.456 418 HB VAL 55 HB VAL 55 6.115 6.212 1.606 419 HG11 VAL 55 1HG1 VAL 55 5.197 6.176 -0.550 420 HG12 VAL 55 2HG1 VAL 55 5.243 7.886 -0.116 421 HG13 VAL 55 3HG1 VAL 55 6.462 7.216 -1.201 422 HG21 VAL 55 1HG2 VAL 55 7.403 4.855 -0.015 423 HG22 VAL 55 2HG2 VAL 55 8.509 6.212 -0.228 424 HG23 VAL 55 3HG2 VAL 55 8.379 5.419 1.341 425 H LEU 56 HN LEU 56 9.393 6.765 2.265 426 HA LEU 56 HA LEU 56 8.576 6.361 4.980 427 HB2 LEU 56 2HB LEU 56 11.232 5.957 3.613 428 HB3 LEU 56 3HB LEU 56 10.875 5.468 5.269 429 HG LEU 56 HG LEU 56 9.735 4.338 2.720 430 HD11 LEU 56 1HD1 LEU 56 11.871 3.425 3.273 431 HD12 LEU 56 2HD1 LEU 56 10.645 2.231 3.698 432 HD13 LEU 56 3HD1 LEU 56 11.402 3.204 4.958 433 HD21 LEU 56 1HD2 LEU 56 8.747 2.788 4.736 434 HD22 LEU 56 2HD2 LEU 56 7.841 4.034 3.878 435 HD23 LEU 56 3HD2 LEU 56 8.610 4.406 5.421 Start of MODEL 4 1 H1 ALA 1 HN ALA 1 -4.424 -3.863 0.066 2 HA ALA 1 HA ALA 1 -5.949 -2.217 -0.877 3 HB1 ALA 1 1HB ALA 1 -3.927 -2.766 -2.197 4 HB2 ALA 1 2HB ALA 1 -4.869 -3.964 -3.084 5 HB3 ALA 1 3HB ALA 1 -5.290 -2.255 -3.192 6 H THR 2 HN THR 2 -7.981 -1.835 -1.521 7 HA THR 2 HA THR 2 -9.848 -3.973 -1.687 8 HB THR 2 HB THR 2 -11.299 -1.908 -2.616 9 HG1 THR 2 1HG THR 2 -9.870 -0.342 -0.926 10 HG21 THR 2 1HG2 THR 2 -11.497 -1.278 -0.071 11 HG22 THR 2 2HG2 THR 2 -10.489 -2.708 0.142 12 HG23 THR 2 3HG2 THR 2 -12.056 -2.845 -0.654 13 HA PRO 3 HA PRO 3 -10.041 -4.867 -5.980 14 HB2 PRO 3 2HB PRO 3 -12.707 -5.169 -6.395 15 HB3 PRO 3 3HB PRO 3 -11.736 -6.343 -5.499 16 HG2 PRO 3 2HG PRO 3 -13.512 -4.169 -4.460 17 HG3 PRO 3 3HG PRO 3 -13.345 -5.842 -3.897 18 HD2 PRO 3 2HD PRO 3 -12.153 -3.758 -2.646 19 HD3 PRO 3 3HD PRO 3 -11.433 -5.379 -2.697 20 H GLU 4 HN GLU 4 -11.935 -2.184 -4.786 21 HA GLU 4 HA GLU 4 -12.526 -1.143 -7.411 22 HB2 GLU 4 2HB GLU 4 -13.720 -0.825 -5.005 23 HB3 GLU 4 3HB GLU 4 -12.746 0.638 -5.060 24 HG2 GLU 4 2HG GLU 4 -14.120 1.604 -6.505 25 HG3 GLU 4 3HG GLU 4 -14.122 0.191 -7.559 26 H GLU 5 HN GLU 5 -10.551 -0.013 -4.663 27 HA GLU 5 HA GLU 5 -9.346 2.129 -6.012 28 HB2 GLU 5 2HB GLU 5 -8.193 0.502 -3.739 29 HB3 GLU 5 3HB GLU 5 -7.699 2.121 -4.213 30 HG2 GLU 5 2HG GLU 5 -9.913 2.970 -3.625 31 HG3 GLU 5 3HG GLU 5 -10.403 1.346 -3.143 32 H LEU 6 HN LEU 6 -8.695 -1.272 -6.062 33 HA LEU 6 HA LEU 6 -6.038 -1.065 -7.114 34 HB2 LEU 6 2HB LEU 6 -7.987 -3.247 -6.610 35 HB3 LEU 6 3HB LEU 6 -6.703 -3.551 -7.779 36 HG LEU 6 HG LEU 6 -6.136 -2.615 -4.978 37 HD11 LEU 6 1HD1 LEU 6 -5.569 -5.085 -4.620 38 HD12 LEU 6 2HD1 LEU 6 -6.616 -5.390 -6.006 39 HD13 LEU 6 3HD1 LEU 6 -7.267 -4.613 -4.563 40 HD21 LEU 6 1HD2 LEU 6 -4.468 -4.068 -7.028 41 HD22 LEU 6 2HD2 LEU 6 -3.939 -3.561 -5.424 42 HD23 LEU 6 3HD2 LEU 6 -4.354 -2.351 -6.640 43 H GLN 7 HN GLN 7 -9.152 -2.073 -8.533 44 HA GLN 7 HA GLN 7 -8.210 -2.240 -11.179 45 HB2 GLN 7 2HB GLN 7 -10.689 -2.578 -9.813 46 HB3 GLN 7 3HB GLN 7 -10.968 -1.525 -11.193 47 HG2 GLN 7 2HG GLN 7 -9.604 -3.341 -12.482 48 HG3 GLN 7 3HG GLN 7 -10.074 -4.363 -11.125 49 HE21 GLN 7 1HE2 GLN 7 -11.474 -2.062 -13.431 50 HE22 GLN 7 2HE2 GLN 7 -12.950 -2.930 -13.663 51 H ALA 8 HN ALA 8 -8.602 0.441 -9.234 52 HA ALA 8 HA ALA 8 -9.307 2.270 -11.389 53 HB1 ALA 8 1HB ALA 8 -8.586 2.996 -8.559 54 HB2 ALA 8 2HB ALA 8 -9.486 3.955 -9.734 55 HB3 ALA 8 3HB ALA 8 -10.207 2.500 -9.046 56 H MET 9 HN MET 9 -6.613 0.700 -10.744 57 HA MET 9 HA MET 9 -4.933 2.800 -11.832 58 HB2 MET 9 2HB MET 9 -3.189 2.541 -10.130 59 HB3 MET 9 3HB MET 9 -4.685 3.136 -9.423 60 HG2 MET 9 2HG MET 9 -4.878 1.374 -8.081 61 HG3 MET 9 3HG MET 9 -4.495 0.239 -9.373 62 HE1 MET 9 1HE MET 9 -2.599 -0.747 -9.893 63 HE2 MET 9 2HE MET 9 -1.256 0.379 -10.093 64 HE3 MET 9 3HE MET 9 -1.159 -0.904 -8.886 65 H ASP 10 HN ASP 10 -6.012 0.193 -12.672 66 HA ASP 10 HA ASP 10 -5.272 -1.483 -14.041 67 HB2 ASP 10 2HB ASP 10 -3.257 0.291 -14.266 68 HB3 ASP 10 3HB ASP 10 -2.392 -1.038 -13.495 69 H ASN 11 HN ASN 11 -4.683 -1.163 -10.804 70 HA ASN 11 HA ASN 11 -3.910 -2.562 -9.139 71 HB2 ASN 11 2HB ASN 11 -5.312 -4.440 -8.907 72 HB3 ASN 11 3HB ASN 11 -6.260 -3.306 -9.864 73 HD21 ASN 11 1HD2 ASN 11 -4.680 -6.350 -9.786 74 HD22 ASN 11 2HD2 ASN 11 -5.176 -6.897 -11.347 75 H VAL 12 HN VAL 12 -2.040 -2.387 -11.306 76 HA VAL 12 HA VAL 12 -0.887 -5.100 -11.229 77 HB VAL 12 HB VAL 12 -0.916 -3.053 -13.410 78 HG11 VAL 12 1HG1 VAL 12 1.358 -4.761 -12.655 79 HG12 VAL 12 2HG1 VAL 12 0.902 -4.811 -14.358 80 HG13 VAL 12 3HG1 VAL 12 1.319 -3.274 -13.601 81 HG21 VAL 12 1HG2 VAL 12 -2.074 -5.582 -12.965 82 HG22 VAL 12 2HG2 VAL 12 -2.165 -4.588 -14.419 83 HG23 VAL 12 3HG2 VAL 12 -0.882 -5.786 -14.249 84 H CYS 13 HN CYS 13 1.038 -5.323 -10.285 85 HA CYS 13 HA CYS 13 2.271 -3.145 -8.951 86 HB2 CYS 13 2HB CYS 13 2.401 -5.388 -8.032 87 HB3 CYS 13 3HB CYS 13 3.249 -5.960 -9.464 88 H ILE 14 HN ILE 14 3.468 -1.624 -9.863 89 HA ILE 14 HA ILE 14 4.522 -1.795 -12.478 90 HB ILE 14 HB ILE 14 3.936 0.308 -11.083 91 HG12 ILE 14 2HG1 ILE 14 4.730 0.477 -13.350 92 HG13 ILE 14 3HG1 ILE 14 5.610 1.651 -12.377 93 HG21 ILE 14 1HG2 ILE 14 5.430 -0.195 -9.211 94 HG22 ILE 14 2HG2 ILE 14 6.820 -0.067 -10.287 95 HG23 ILE 14 3HG2 ILE 14 5.828 1.354 -9.957 96 HD11 ILE 14 1HD1 ILE 14 7.293 0.752 -13.634 97 HD12 ILE 14 2HD1 ILE 14 7.370 -0.270 -12.199 98 HD13 ILE 14 3HD1 ILE 14 6.568 -0.855 -13.657 99 H ILE 15 HN ILE 15 6.064 -1.984 -9.283 100 HA ILE 15 HA ILE 15 8.683 -2.057 -9.744 101 HB ILE 15 HB ILE 15 7.226 -4.181 -8.165 102 HG12 ILE 15 2HG1 ILE 15 8.588 -1.836 -6.925 103 HG13 ILE 15 3HG1 ILE 15 7.034 -1.566 -7.704 104 HG21 ILE 15 1HG2 ILE 15 9.624 -3.802 -6.931 105 HG22 ILE 15 2HG2 ILE 15 9.261 -5.113 -8.053 106 HG23 ILE 15 3HG2 ILE 15 10.069 -3.656 -8.632 107 HD11 ILE 15 1HD1 ILE 15 6.548 -1.961 -5.451 108 HD12 ILE 15 2HD1 ILE 15 6.165 -3.473 -6.272 109 HD13 ILE 15 3HD1 ILE 15 7.666 -3.321 -5.359 110 H CYS 16 HN CYS 16 6.571 -4.854 -10.375 111 HA CYS 16 HA CYS 16 8.679 -5.932 -12.131 112 HB2 CYS 16 2HB CYS 16 7.737 -8.161 -11.698 113 HB3 CYS 16 3HB CYS 16 8.248 -7.379 -10.206 114 H ARG 17 HN ARG 17 5.822 -4.346 -12.199 115 HA ARG 17 HA ARG 17 4.091 -4.135 -13.676 116 HB2 ARG 17 2HB ARG 17 6.452 -4.813 -15.408 117 HB3 ARG 17 3HB ARG 17 4.871 -4.511 -16.116 118 HG2 ARG 17 2HG ARG 17 5.086 -2.349 -14.536 119 HG3 ARG 17 3HG ARG 17 6.789 -2.643 -14.895 120 HD2 ARG 17 2HD ARG 17 4.626 -2.453 -16.986 121 HD3 ARG 17 3HD ARG 17 5.643 -1.100 -16.490 122 HE ARG 17 HE ARG 17 7.169 -3.378 -17.296 123 HH11 ARG 17 1HH1 ARG 17 5.414 -0.606 -18.456 124 HH12 ARG 17 2HH1 ARG 17 6.308 -0.495 -19.935 125 HH21 ARG 17 1HH2 ARG 17 8.355 -3.243 -19.240 126 HH22 ARG 17 2HH2 ARG 17 7.981 -1.995 -20.381 127 H GLU 18 HN GLU 18 3.443 -6.266 -12.438 128 HA GLU 18 HA GLU 18 2.950 -8.345 -14.469 129 HB2 GLU 18 2HB GLU 18 3.471 -8.557 -11.517 130 HB3 GLU 18 3HB GLU 18 2.610 -9.828 -12.373 131 HG2 GLU 18 2HG GLU 18 5.317 -8.844 -13.219 132 HG3 GLU 18 3HG GLU 18 5.087 -10.161 -12.072 133 H GLU 19 HN GLU 19 1.460 -8.351 -11.328 134 HA GLU 19 HA GLU 19 -0.906 -6.958 -11.970 135 HB2 GLU 19 2HB GLU 19 -0.779 -9.437 -13.213 136 HB3 GLU 19 3HB GLU 19 -1.755 -9.737 -11.782 137 HG2 GLU 19 2HG GLU 19 -2.858 -7.435 -12.708 138 HG3 GLU 19 3HG GLU 19 -2.377 -8.225 -14.209 139 H MET 20 HN MET 20 -2.344 -6.849 -10.234 140 HA MET 20 HA MET 20 -1.549 -8.329 -7.817 141 HB2 MET 20 2HB MET 20 -2.059 -5.385 -8.141 142 HB3 MET 20 3HB MET 20 -2.266 -6.173 -6.582 143 HG2 MET 20 2HG MET 20 0.013 -6.749 -6.457 144 HG3 MET 20 3HG MET 20 0.281 -6.364 -8.156 145 HE1 MET 20 1HE MET 20 0.215 -2.731 -8.498 146 HE2 MET 20 2HE MET 20 -0.733 -4.142 -8.972 147 HE3 MET 20 3HE MET 20 -1.396 -2.980 -7.822 148 H VAL 21 HN VAL 21 -3.228 -9.767 -7.843 149 HA VAL 21 HA VAL 21 -5.946 -8.908 -8.278 150 HB VAL 21 HB VAL 21 -6.402 -11.341 -7.472 151 HG11 VAL 21 1HG1 VAL 21 -4.927 -10.686 -10.017 152 HG12 VAL 21 2HG1 VAL 21 -5.778 -12.203 -9.725 153 HG13 VAL 21 3HG1 VAL 21 -6.671 -10.682 -9.762 154 HG21 VAL 21 1HG2 VAL 21 -4.648 -12.830 -7.344 155 HG22 VAL 21 2HG2 VAL 21 -3.563 -11.799 -8.277 156 HG23 VAL 21 3HG2 VAL 21 -3.940 -11.395 -6.602 157 H THR 22 HN THR 22 -3.835 -9.275 -5.590 158 HA THR 22 HA THR 22 -5.469 -7.988 -3.765 159 HB THR 22 HB THR 22 -7.007 -9.815 -3.781 160 HG1 THR 22 1HG THR 22 -5.455 -10.383 -1.488 161 HG21 THR 22 1HG2 THR 22 -4.687 -11.653 -3.180 162 HG22 THR 22 2HG2 THR 22 -5.463 -11.494 -4.756 163 HG23 THR 22 3HG2 THR 22 -6.375 -12.118 -3.381 164 H GLY 23 HN GLY 23 -2.916 -10.262 -4.400 165 HA2 GLY 23 1HA GLY 23 -1.719 -10.115 -1.798 166 HA3 GLY 23 2HA GLY 23 -0.984 -10.783 -3.249 167 H ALA 24 HN ALA 24 -2.124 -7.542 -2.291 168 HA ALA 24 HA ALA 24 0.576 -6.501 -2.476 169 HB1 ALA 24 1HB ALA 24 -0.993 -6.443 -4.756 170 HB2 ALA 24 2HB ALA 24 -1.163 -4.823 -4.077 171 HB3 ALA 24 3HB ALA 24 0.440 -5.463 -4.441 172 H LYS 25 HN LYS 25 0.703 -4.227 -1.803 173 HA LYS 25 HA LYS 25 -1.458 -3.575 0.085 174 HB2 LYS 25 2HB LYS 25 1.300 -2.410 0.256 175 HB3 LYS 25 3HB LYS 25 0.114 -2.639 1.534 176 HG2 LYS 25 2HG LYS 25 1.445 -4.945 0.148 177 HG3 LYS 25 3HG LYS 25 2.143 -4.153 1.564 178 HD2 LYS 25 2HD LYS 25 -0.651 -4.780 1.972 179 HD3 LYS 25 3HD LYS 25 0.276 -6.221 1.547 180 HE2 LYS 25 2HE LYS 25 1.370 -6.233 3.504 181 HE3 LYS 25 3HE LYS 25 1.603 -4.486 3.491 182 HZ1 LYS 25 1HZ LYS 25 -0.194 -4.158 4.757 183 HZ2 LYS 25 2HZ LYS 25 -0.038 -5.792 5.166 184 HZ3 LYS 25 3HZ LYS 25 -1.119 -5.324 3.953 185 H ARG 26 HN ARG 26 -1.161 -1.031 0.651 186 HA ARG 26 HA ARG 26 -1.194 0.398 -1.924 187 HB2 ARG 26 2HB ARG 26 -3.483 -0.002 -1.016 188 HB3 ARG 26 3HB ARG 26 -3.036 0.918 0.414 189 HG2 ARG 26 2HG ARG 26 -2.475 2.804 -1.256 190 HG3 ARG 26 3HG ARG 26 -3.461 1.873 -2.385 191 HD2 ARG 26 2HD ARG 26 -4.654 3.686 -1.082 192 HD3 ARG 26 3HD ARG 26 -5.381 2.080 -1.036 193 HE ARG 26 HE ARG 26 -4.882 1.937 1.212 194 HH11 ARG 26 1HH1 ARG 26 -3.348 4.733 -0.184 195 HH12 ARG 26 2HH1 ARG 26 -2.906 5.416 1.345 196 HH21 ARG 26 1HH2 ARG 26 -4.305 2.827 3.232 197 HH22 ARG 26 2HH2 ARG 26 -3.449 4.331 3.288 198 H LEU 27 HN LEU 27 -0.223 2.373 -1.989 199 HA LEU 27 HA LEU 27 1.356 3.109 0.355 200 HB2 LEU 27 2HB LEU 27 1.474 3.891 -2.544 201 HB3 LEU 27 3HB LEU 27 2.423 4.712 -1.308 202 HG LEU 27 HG LEU 27 2.624 1.793 -2.047 203 HD11 LEU 27 1HD1 LEU 27 4.703 3.922 -2.436 204 HD12 LEU 27 2HD1 LEU 27 3.506 3.544 -3.674 205 HD13 LEU 27 3HD1 LEU 27 4.636 2.303 -3.132 206 HD21 LEU 27 1HD2 LEU 27 4.795 2.184 -0.613 207 HD22 LEU 27 2HD2 LEU 27 3.262 1.760 0.150 208 HD23 LEU 27 3HD2 LEU 27 3.806 3.439 0.133 209 HA PRO 28 HA PRO 28 -1.055 6.620 1.425 210 HB2 PRO 28 2HB PRO 28 0.865 8.305 2.344 211 HB3 PRO 28 3HB PRO 28 0.339 6.872 3.234 212 HG2 PRO 28 2HG PRO 28 2.747 7.243 1.494 213 HG3 PRO 28 3HG PRO 28 2.617 6.431 3.065 214 HD2 PRO 28 2HD PRO 28 2.675 5.072 0.724 215 HD3 PRO 28 3HD PRO 28 1.768 4.499 2.138 216 H CYS 29 HN CYS 29 0.889 6.568 -1.232 217 HA CYS 29 HA CYS 29 0.364 9.385 -1.905 218 HB2 CYS 29 2HB CYS 29 2.083 8.923 -3.753 219 HB3 CYS 29 3HB CYS 29 2.683 9.034 -2.101 220 H ASN 30 HN ASN 30 -1.015 6.488 -2.270 221 HA ASN 30 HA ASN 30 -2.788 5.879 -3.604 222 HB2 ASN 30 2HB ASN 30 -2.613 8.509 -4.239 223 HB3 ASN 30 3HB ASN 30 -2.211 7.783 -5.792 224 HD21 ASN 30 1HD2 ASN 30 -4.542 9.325 -5.061 225 HD22 ASN 30 2HD2 ASN 30 -5.913 8.311 -5.348 226 H HIS 31 HN HIS 31 -0.589 4.421 -3.664 227 HA HIS 31 HA HIS 31 -0.503 3.477 -6.404 228 HB2 HIS 31 2HB HIS 31 2.016 4.300 -4.943 229 HB3 HIS 31 3HB HIS 31 1.974 3.413 -6.464 230 HD2 HIS 31 2HD HIS 31 0.228 5.102 -8.398 231 HE1 HIS 31 1HE HIS 31 2.214 8.561 -6.952 232 HE2 HIS 31 2HE HIS 31 0.720 7.617 -8.748 233 H ILE 32 HN ILE 32 -0.965 1.395 -6.210 234 HA ILE 32 HA ILE 32 -0.181 -0.049 -3.794 235 HB ILE 32 HB ILE 32 -2.113 -0.651 -6.015 236 HG12 ILE 32 2HG1 ILE 32 -2.789 -0.985 -3.152 237 HG13 ILE 32 3HG1 ILE 32 -2.456 0.663 -3.673 238 HG21 ILE 32 1HG2 ILE 32 -1.601 -2.817 -5.839 239 HG22 ILE 32 2HG2 ILE 32 -0.613 -2.552 -4.404 240 HG23 ILE 32 3HG2 ILE 32 -2.358 -2.747 -4.248 241 HD11 ILE 32 1HD1 ILE 32 -4.824 0.175 -3.785 242 HD12 ILE 32 2HD1 ILE 32 -4.172 0.455 -5.400 243 HD13 ILE 32 3HD1 ILE 32 -4.511 -1.188 -4.857 244 H PHE 33 HN PHE 33 1.267 -1.680 -3.748 245 HA PHE 33 HA PHE 33 2.267 -2.817 -6.235 246 HB2 PHE 33 2HB PHE 33 4.120 -1.512 -4.231 247 HB3 PHE 33 3HB PHE 33 4.605 -2.366 -5.692 248 HD1 PHE 33 1HD PHE 33 3.957 0.777 -4.295 249 HD2 PHE 33 2HD PHE 33 3.549 -1.428 -7.914 250 HE1 PHE 33 1HE PHE 33 3.832 2.883 -5.561 251 HE2 PHE 33 2HE PHE 33 3.424 0.675 -9.185 252 HZ PHE 33 HZ PHE 33 3.566 2.834 -8.009 253 H HIS 34 HN HIS 34 3.221 -4.841 -5.999 254 HA HIS 34 HA HIS 34 2.273 -6.604 -4.195 255 HB2 HIS 34 2HB HIS 34 4.944 -6.563 -5.586 256 HB3 HIS 34 3HB HIS 34 4.451 -7.918 -4.575 257 HD2 HIS 34 2HD HIS 34 1.313 -8.065 -5.698 258 HE1 HIS 34 1HE HIS 34 3.224 -8.752 -9.424 259 HE2 HIS 34 2HE HIS 34 1.055 -8.853 -8.147 260 H THR 35 HN THR 35 2.762 -7.381 -2.177 261 HA THR 35 HA THR 35 4.023 -5.579 -0.370 262 HB THR 35 HB THR 35 3.384 -8.436 0.315 263 HG1 THR 35 1HG THR 35 1.672 -6.720 -0.767 264 HG21 THR 35 1HG2 THR 35 4.440 -7.095 2.044 265 HG22 THR 35 2HG2 THR 35 2.761 -7.415 2.474 266 HG23 THR 35 3HG2 THR 35 3.223 -5.835 1.842 267 H SER 36 HN SER 36 5.150 -8.190 -2.280 268 HA SER 36 HA SER 36 7.506 -8.634 -0.620 269 HB2 SER 36 2HB SER 36 6.622 -10.649 -1.509 270 HB3 SER 36 3HB SER 36 6.456 -9.955 -3.122 271 HG SER 36 HG SER 36 8.293 -11.053 -3.307 272 H CYS 37 HN CYS 37 6.543 -7.031 -3.554 273 HA CYS 37 HA CYS 37 9.230 -6.607 -4.501 274 HB2 CYS 37 2HB CYS 37 6.578 -5.430 -5.353 275 HB3 CYS 37 3HB CYS 37 8.109 -5.100 -6.159 276 H LEU 38 HN LEU 38 6.912 -4.898 -2.535 277 HA LEU 38 HA LEU 38 8.201 -2.356 -2.650 278 HB2 LEU 38 2HB LEU 38 6.083 -3.593 -0.951 279 HB3 LEU 38 3HB LEU 38 6.825 -2.079 -0.439 280 HG LEU 38 HG LEU 38 5.294 -2.556 -2.995 281 HD11 LEU 38 1HD1 LEU 38 3.505 -2.028 -1.802 282 HD12 LEU 38 2HD1 LEU 38 4.231 -0.461 -1.442 283 HD13 LEU 38 3HD1 LEU 38 4.491 -1.823 -0.354 284 HD21 LEU 38 1HD2 LEU 38 6.864 -0.203 -1.995 285 HD22 LEU 38 2HD2 LEU 38 5.529 -0.012 -3.132 286 HD23 LEU 38 3HD2 LEU 38 6.930 -0.989 -3.573 287 H ARG 39 HN ARG 39 8.164 -4.978 -0.248 288 HA ARG 39 HA ARG 39 9.858 -3.777 1.624 289 HB2 ARG 39 2HB ARG 39 9.358 -6.683 0.980 290 HB3 ARG 39 3HB ARG 39 10.335 -6.153 2.343 291 HG2 ARG 39 2HG ARG 39 8.269 -4.798 3.037 292 HG3 ARG 39 3HG ARG 39 7.394 -5.826 1.901 293 HD2 ARG 39 2HD ARG 39 7.543 -7.640 3.231 294 HD3 ARG 39 3HD ARG 39 9.177 -7.242 3.762 295 HE ARG 39 HE ARG 39 6.734 -6.605 5.097 296 HH11 ARG 39 1HH1 ARG 39 10.006 -5.547 4.558 297 HH12 ARG 39 2HH1 ARG 39 10.104 -4.664 6.045 298 HH21 ARG 39 1HH2 ARG 39 6.849 -5.446 7.058 299 HH22 ARG 39 2HH2 ARG 39 8.309 -4.609 7.467 300 H SER 40 HN SER 40 10.550 -5.555 -1.315 301 HA SER 40 HA SER 40 13.398 -5.644 -0.766 302 HB2 SER 40 2HB SER 40 11.669 -7.172 -2.333 303 HB3 SER 40 3HB SER 40 12.642 -6.279 -3.502 304 HG SER 40 HG SER 40 14.504 -7.075 -2.444 305 H TRP 41 HN TRP 41 11.128 -3.689 -2.519 306 HA TRP 41 HA TRP 41 13.007 -2.405 -4.232 307 HB2 TRP 41 2HB TRP 41 10.624 -2.432 -4.767 308 HB3 TRP 41 3HB TRP 41 10.266 -1.516 -3.306 309 HD1 TRP 41 1HD TRP 41 11.094 1.090 -3.282 310 HE1 TRP 41 1HE TRP 41 11.415 2.748 -5.225 311 HE3 TRP 41 3HE TRP 41 11.293 -2.234 -7.160 312 HZ2 TRP 41 2HZ TRP 41 11.713 2.657 -8.030 313 HZ3 TRP 41 3HZ TRP 41 11.597 -1.367 -9.442 314 HH2 TRP 41 2HH TRP 41 11.802 1.028 -9.866 315 H PHE 42 HN PHE 42 11.585 -1.589 -1.092 316 HA PHE 42 HA PHE 42 12.979 0.913 -0.906 317 HB2 PHE 42 2HB PHE 42 11.433 -0.700 1.130 318 HB3 PHE 42 3HB PHE 42 12.133 0.881 1.461 319 HD1 PHE 42 1HD PHE 42 11.549 2.438 -0.876 320 HD2 PHE 42 2HD PHE 42 9.147 -0.486 1.069 321 HE1 PHE 42 1HE PHE 42 9.523 3.522 -1.758 322 HE2 PHE 42 2HE PHE 42 7.117 0.591 0.191 323 HZ PHE 42 HZ PHE 42 7.303 2.597 -1.225 324 H GLN 43 HN GLN 43 13.803 -2.328 -0.366 325 HA GLN 43 HA GLN 43 15.575 -2.138 1.796 326 HB2 GLN 43 2HB GLN 43 15.059 -4.046 -0.382 327 HB3 GLN 43 3HB GLN 43 16.702 -4.082 0.243 328 HG2 GLN 43 2HG GLN 43 14.762 -4.008 2.380 329 HG3 GLN 43 3HG GLN 43 14.481 -5.367 1.293 330 HE21 GLN 43 1HE2 GLN 43 16.929 -6.128 0.540 331 HE22 GLN 43 2HE2 GLN 43 17.870 -6.632 1.899 332 H ARG 44 HN ARG 44 15.907 -1.243 -1.549 333 HA ARG 44 HA ARG 44 18.721 -0.521 -1.054 334 HB2 ARG 44 2HB ARG 44 17.635 -0.735 -3.825 335 HB3 ARG 44 3HB ARG 44 19.268 -1.019 -3.238 336 HG2 ARG 44 2HG ARG 44 18.436 -3.100 -2.145 337 HG3 ARG 44 3HG ARG 44 16.888 -2.834 -2.950 338 HD2 ARG 44 2HD ARG 44 19.272 -2.731 -4.681 339 HD3 ARG 44 3HD ARG 44 18.898 -4.308 -3.986 340 HE ARG 44 HE ARG 44 16.639 -2.999 -5.192 341 HH11 ARG 44 1HH1 ARG 44 19.381 -5.074 -5.734 342 HH12 ARG 44 2HH1 ARG 44 18.705 -5.816 -7.146 343 HH21 ARG 44 1HH2 ARG 44 15.738 -3.969 -7.050 344 HH22 ARG 44 2HH2 ARG 44 16.633 -5.187 -7.894 345 H GLN 45 HN GLN 45 15.591 0.566 -2.109 346 HA GLN 45 HA GLN 45 16.674 3.294 -2.381 347 HB2 GLN 45 2HB GLN 45 14.764 1.782 -4.074 348 HB3 GLN 45 3HB GLN 45 14.392 3.477 -3.792 349 HG2 GLN 45 2HG GLN 45 15.624 3.371 -5.801 350 HG3 GLN 45 3HG GLN 45 16.710 4.018 -4.572 351 HE21 GLN 45 1HE2 GLN 45 18.457 2.813 -3.901 352 HE22 GLN 45 2HE2 GLN 45 18.985 1.389 -4.725 353 H GLN 46 HN GLN 46 14.470 4.799 -2.378 354 HA GLN 46 HA GLN 46 12.751 4.011 -0.168 355 HB2 GLN 46 2HB GLN 46 13.554 5.415 1.390 356 HB3 GLN 46 3HB GLN 46 15.011 5.449 0.408 357 HG2 GLN 46 2HG GLN 46 13.799 7.388 -0.833 358 HG3 GLN 46 3HG GLN 46 12.841 7.477 0.645 359 HE21 GLN 46 1HE2 GLN 46 14.901 9.264 -0.625 360 HE22 GLN 46 2HE2 GLN 46 16.028 9.589 0.644 361 H THR 47 HN THR 47 12.806 4.934 -3.136 362 HA THR 47 HA THR 47 10.697 6.977 -2.867 363 HB THR 47 HB THR 47 11.604 6.879 -5.554 364 HG1 THR 47 1HG THR 47 13.587 6.122 -5.040 365 HG21 THR 47 1HG2 THR 47 10.731 8.770 -3.923 366 HG22 THR 47 2HG2 THR 47 11.751 9.153 -5.310 367 HG23 THR 47 3HG2 THR 47 12.457 9.043 -3.697 368 H CYS 48 HN CYS 48 8.861 6.816 -4.216 369 HA CYS 48 HA CYS 48 7.801 4.254 -4.523 370 HB2 CYS 48 2HB CYS 48 6.791 6.789 -4.634 371 HB3 CYS 48 3HB CYS 48 6.691 6.303 -6.323 372 HA PRO 49 HA PRO 49 9.633 2.825 -8.272 373 HB2 PRO 49 2HB PRO 49 7.853 0.856 -8.846 374 HB3 PRO 49 3HB PRO 49 9.059 0.716 -7.561 375 HG2 PRO 49 2HG PRO 49 6.158 1.430 -7.366 376 HG3 PRO 49 3HG PRO 49 7.116 0.351 -6.336 377 HD2 PRO 49 2HD PRO 49 6.510 2.891 -5.620 378 HD3 PRO 49 3HD PRO 49 8.022 2.097 -5.135 379 H THR 50 HN THR 50 6.896 4.640 -8.081 380 HA THR 50 HA THR 50 6.618 4.702 -11.006 381 HB THR 50 HB THR 50 4.700 3.456 -9.965 382 HG1 THR 50 1HG THR 50 4.077 4.269 -11.854 383 HG21 THR 50 1HG2 THR 50 3.913 6.165 -8.892 384 HG22 THR 50 2HG2 THR 50 4.609 4.881 -7.905 385 HG23 THR 50 3HG2 THR 50 3.050 4.640 -8.693 386 H CYS 51 HN CYS 51 5.772 6.380 -7.980 387 HA CYS 51 HA CYS 51 5.943 8.942 -9.396 388 HB2 CYS 51 2HB CYS 51 4.646 9.889 -7.684 389 HB3 CYS 51 3HB CYS 51 3.949 8.287 -7.903 390 H ARG 52 HN ARG 52 7.911 6.929 -7.693 391 HA ARG 52 HA ARG 52 9.713 7.217 -6.269 392 HB2 ARG 52 2HB ARG 52 10.423 9.433 -8.172 393 HB3 ARG 52 3HB ARG 52 11.484 8.257 -7.408 394 HG2 ARG 52 2HG ARG 52 10.278 6.497 -8.785 395 HG3 ARG 52 3HG ARG 52 9.593 7.843 -9.697 396 HD2 ARG 52 2HD ARG 52 11.788 8.598 -10.328 397 HD3 ARG 52 3HD ARG 52 12.544 7.393 -9.287 398 HE ARG 52 HE ARG 52 11.631 7.001 -11.940 399 HH11 ARG 52 1HH1 ARG 52 11.853 5.420 -8.845 400 HH12 ARG 52 2HH1 ARG 52 11.896 3.824 -9.518 401 HH21 ARG 52 1HH2 ARG 52 11.688 4.904 -12.837 402 HH22 ARG 52 2HH2 ARG 52 11.803 3.531 -11.788 403 H MET 53 HN MET 53 7.962 8.277 -4.763 404 HA MET 53 HA MET 53 8.982 10.940 -4.023 405 HB2 MET 53 2HB MET 53 6.613 10.874 -4.970 406 HB3 MET 53 3HB MET 53 6.161 10.012 -3.507 407 HG2 MET 53 2HG MET 53 7.650 12.504 -3.078 408 HG3 MET 53 3HG MET 53 6.055 12.691 -3.803 409 HE1 MET 53 1HE MET 53 4.250 10.164 -1.441 410 HE2 MET 53 2HE MET 53 3.556 11.743 -1.811 411 HE3 MET 53 3HE MET 53 4.381 10.824 -3.072 412 H ASP 54 HN ASP 54 10.047 10.860 -2.169 413 HA ASP 54 HA ASP 54 10.496 8.853 -0.475 414 HB2 ASP 54 2HB ASP 54 11.639 10.813 0.048 415 HB3 ASP 54 3HB ASP 54 10.167 11.781 0.084 416 H VAL 55 HN VAL 55 9.342 7.505 0.727 417 HA VAL 55 HA VAL 55 6.718 8.405 1.727 418 HB VAL 55 HB VAL 55 6.097 5.924 1.612 419 HG11 VAL 55 1HG1 VAL 55 4.842 6.873 0.032 420 HG12 VAL 55 2HG1 VAL 55 6.140 7.968 -0.450 421 HG13 VAL 55 3HG1 VAL 55 6.065 6.337 -1.120 422 HG21 VAL 55 1HG2 VAL 55 8.371 5.886 -0.368 423 HG22 VAL 55 2HG2 VAL 55 8.416 5.134 1.226 424 HG23 VAL 55 3HG2 VAL 55 7.273 4.559 0.012 425 H LEU 56 HN LEU 56 9.534 6.351 2.289 426 HA LEU 56 HA LEU 56 8.931 5.165 4.676 427 HB2 LEU 56 2HB LEU 56 11.259 5.691 3.187 428 HB3 LEU 56 3HB LEU 56 11.596 6.218 4.835 429 HG LEU 56 HG LEU 56 10.365 3.565 4.665 430 HD11 LEU 56 1HD1 LEU 56 12.583 4.216 2.919 431 HD12 LEU 56 2HD1 LEU 56 11.613 2.747 3.017 432 HD13 LEU 56 3HD1 LEU 56 13.001 2.958 4.083 433 HD21 LEU 56 1HD2 LEU 56 11.741 3.115 6.453 434 HD22 LEU 56 2HD2 LEU 56 11.525 4.858 6.617 435 HD23 LEU 56 3HD2 LEU 56 13.003 4.215 5.899 Start of MODEL 5 1 H1 ALA 1 HN ALA 1 -4.465 -3.851 0.555 2 HA ALA 1 HA ALA 1 -6.194 -1.902 -0.079 3 HB1 ALA 1 1HB ALA 1 -4.383 -2.214 -1.529 4 HB2 ALA 1 2HB ALA 1 -4.850 -3.874 -1.899 5 HB3 ALA 1 3HB ALA 1 -5.806 -2.529 -2.523 6 H THR 2 HN THR 2 -7.698 -2.139 -2.228 7 HA THR 2 HA THR 2 -9.660 -4.260 -1.658 8 HB THR 2 HB THR 2 -11.291 -2.811 -1.202 9 HG1 THR 2 1HG THR 2 -12.057 -1.930 -2.956 10 HG21 THR 2 1HG2 THR 2 -10.729 -0.643 -0.441 11 HG22 THR 2 2HG2 THR 2 -9.348 -0.534 -1.534 12 HG23 THR 2 3HG2 THR 2 -9.297 -1.632 -0.155 13 HA PRO 3 HA PRO 3 -9.804 -5.069 -5.968 14 HB2 PRO 3 2HB PRO 3 -12.431 -5.627 -6.365 15 HB3 PRO 3 3HB PRO 3 -11.335 -6.719 -5.509 16 HG2 PRO 3 2HG PRO 3 -13.309 -4.761 -4.399 17 HG3 PRO 3 3HG PRO 3 -12.968 -6.421 -3.879 18 HD2 PRO 3 2HD PRO 3 -11.975 -4.258 -2.589 19 HD3 PRO 3 3HD PRO 3 -11.097 -5.797 -2.686 20 H GLU 4 HN GLU 4 -12.067 -2.687 -4.721 21 HA GLU 4 HA GLU 4 -12.746 -1.630 -7.303 22 HB2 GLU 4 2HB GLU 4 -13.963 -1.507 -4.905 23 HB3 GLU 4 3HB GLU 4 -13.128 0.040 -4.884 24 HG2 GLU 4 2HG GLU 4 -14.465 -0.435 -7.407 25 HG3 GLU 4 3HG GLU 4 -15.576 -0.503 -6.041 26 H GLU 5 HN GLU 5 -10.636 -0.632 -4.634 27 HA GLU 5 HA GLU 5 -9.753 1.759 -5.902 28 HB2 GLU 5 2HB GLU 5 -8.597 0.150 -3.623 29 HB3 GLU 5 3HB GLU 5 -7.951 1.698 -4.151 30 HG2 GLU 5 2HG GLU 5 -10.838 1.574 -3.506 31 HG3 GLU 5 3HG GLU 5 -9.695 1.479 -2.168 32 H LEU 6 HN LEU 6 -8.608 -1.556 -5.829 33 HA LEU 6 HA LEU 6 -6.068 -1.078 -6.985 34 HB2 LEU 6 2HB LEU 6 -7.774 -3.417 -6.428 35 HB3 LEU 6 3HB LEU 6 -6.607 -3.615 -7.733 36 HG LEU 6 HG LEU 6 -5.809 -2.689 -4.984 37 HD11 LEU 6 1HD1 LEU 6 -5.430 -4.870 -4.287 38 HD12 LEU 6 2HD1 LEU 6 -5.542 -5.520 -5.923 39 HD13 LEU 6 3HD1 LEU 6 -6.998 -4.974 -5.088 40 HD21 LEU 6 1HD2 LEU 6 -4.227 -2.253 -6.786 41 HD22 LEU 6 2HD2 LEU 6 -4.280 -3.951 -7.259 42 HD23 LEU 6 3HD2 LEU 6 -3.610 -3.491 -5.692 43 H GLN 7 HN GLN 7 -9.137 -2.208 -8.396 44 HA GLN 7 HA GLN 7 -8.192 -2.279 -11.059 45 HB2 GLN 7 2HB GLN 7 -10.583 -2.914 -9.704 46 HB3 GLN 7 3HB GLN 7 -11.016 -1.751 -10.950 47 HG2 GLN 7 2HG GLN 7 -9.387 -3.442 -12.323 48 HG3 GLN 7 3HG GLN 7 -10.170 -4.538 -11.185 49 HE21 GLN 7 1HE2 GLN 7 -12.289 -5.037 -11.439 50 HE22 GLN 7 2HE2 GLN 7 -13.254 -4.498 -12.766 51 H ALA 8 HN ALA 8 -8.654 0.316 -9.064 52 HA ALA 8 HA ALA 8 -9.532 2.141 -11.171 53 HB1 ALA 8 1HB ALA 8 -10.637 2.885 -9.353 54 HB2 ALA 8 2HB ALA 8 -9.450 2.224 -8.228 55 HB3 ALA 8 3HB ALA 8 -9.131 3.752 -9.050 56 H MET 9 HN MET 9 -6.762 0.749 -10.680 57 HA MET 9 HA MET 9 -5.226 3.011 -11.623 58 HB2 MET 9 2HB MET 9 -3.470 2.813 -9.940 59 HB3 MET 9 3HB MET 9 -5.006 3.222 -9.187 60 HG2 MET 9 2HG MET 9 -5.051 1.346 -7.984 61 HG3 MET 9 3HG MET 9 -4.508 0.353 -9.336 62 HE1 MET 9 1HE MET 9 -0.805 0.027 -8.978 63 HE2 MET 9 2HE MET 9 -2.318 -0.495 -9.718 64 HE3 MET 9 3HE MET 9 -1.612 1.062 -10.156 65 H ASP 10 HN ASP 10 -6.132 0.370 -12.578 66 HA ASP 10 HA ASP 10 -5.270 -1.144 -14.067 67 HB2 ASP 10 2HB ASP 10 -3.239 0.726 -13.936 68 HB3 ASP 10 3HB ASP 10 -2.427 -0.773 -13.496 69 H ASN 11 HN ASN 11 -4.647 -0.973 -10.784 70 HA ASN 11 HA ASN 11 -3.855 -2.461 -9.212 71 HB2 ASN 11 2HB ASN 11 -5.265 -4.320 -9.038 72 HB3 ASN 11 3HB ASN 11 -6.214 -3.187 -9.998 73 HD21 ASN 11 1HD2 ASN 11 -4.719 -6.244 -9.880 74 HD22 ASN 11 2HD2 ASN 11 -5.130 -6.766 -11.474 75 H VAL 12 HN VAL 12 -2.014 -2.149 -11.382 76 HA VAL 12 HA VAL 12 -0.843 -4.854 -11.482 77 HB VAL 12 HB VAL 12 -0.903 -2.675 -13.533 78 HG11 VAL 12 1HG1 VAL 12 0.944 -3.763 -14.733 79 HG12 VAL 12 2HG1 VAL 12 1.467 -3.087 -13.190 80 HG13 VAL 12 3HG1 VAL 12 1.206 -4.824 -13.351 81 HG21 VAL 12 1HG2 VAL 12 -0.871 -5.378 -14.502 82 HG22 VAL 12 2HG2 VAL 12 -2.085 -5.200 -13.235 83 HG23 VAL 12 3HG2 VAL 12 -2.130 -4.153 -14.654 84 H CYS 13 HN CYS 13 1.061 -5.116 -10.516 85 HA CYS 13 HA CYS 13 2.314 -2.972 -9.130 86 HB2 CYS 13 2HB CYS 13 2.383 -5.223 -8.226 87 HB3 CYS 13 3HB CYS 13 3.233 -5.806 -9.654 88 H ILE 14 HN ILE 14 3.596 -1.487 -9.984 89 HA ILE 14 HA ILE 14 4.655 -1.648 -12.602 90 HB ILE 14 HB ILE 14 4.126 0.448 -11.166 91 HG12 ILE 14 2HG1 ILE 14 4.913 0.631 -13.433 92 HG13 ILE 14 3HG1 ILE 14 5.833 1.761 -12.447 93 HG21 ILE 14 1HG2 ILE 14 6.058 1.420 -10.039 94 HG22 ILE 14 2HG2 ILE 14 5.608 -0.121 -9.309 95 HG23 ILE 14 3HG2 ILE 14 6.999 -0.029 -10.388 96 HD11 ILE 14 1HD1 ILE 14 7.519 -0.248 -12.310 97 HD12 ILE 14 2HD1 ILE 14 6.710 -0.726 -13.803 98 HD13 ILE 14 3HD1 ILE 14 7.502 0.846 -13.693 99 H ILE 15 HN ILE 15 6.164 -1.934 -9.398 100 HA ILE 15 HA ILE 15 8.783 -2.082 -9.839 101 HB ILE 15 HB ILE 15 7.249 -4.184 -8.306 102 HG12 ILE 15 2HG1 ILE 15 8.670 -1.905 -7.012 103 HG13 ILE 15 3HG1 ILE 15 7.136 -1.569 -7.807 104 HG21 ILE 15 1HG2 ILE 15 10.077 -3.833 -8.817 105 HG22 ILE 15 2HG2 ILE 15 9.708 -3.796 -7.094 106 HG23 ILE 15 3HG2 ILE 15 9.225 -5.183 -8.068 107 HD11 ILE 15 1HD1 ILE 15 7.701 -3.251 -5.414 108 HD12 ILE 15 2HD1 ILE 15 6.477 -2.003 -5.653 109 HD13 ILE 15 3HD1 ILE 15 6.283 -3.585 -6.407 110 H CYS 16 HN CYS 16 6.573 -4.774 -10.569 111 HA CYS 16 HA CYS 16 8.670 -5.908 -12.301 112 HB2 CYS 16 2HB CYS 16 7.578 -8.103 -11.944 113 HB3 CYS 16 3HB CYS 16 8.178 -7.397 -10.446 114 H ARG 17 HN ARG 17 5.832 -4.248 -12.352 115 HA ARG 17 HA ARG 17 4.146 -3.937 -13.861 116 HB2 ARG 17 2HB ARG 17 6.534 -4.603 -15.553 117 HB3 ARG 17 3HB ARG 17 4.976 -4.282 -16.302 118 HG2 ARG 17 2HG ARG 17 5.150 -2.150 -14.676 119 HG3 ARG 17 3HG ARG 17 6.862 -2.444 -14.990 120 HD2 ARG 17 2HD ARG 17 4.762 -2.204 -17.138 121 HD3 ARG 17 3HD ARG 17 5.771 -0.867 -16.589 122 HE ARG 17 HE ARG 17 6.559 -3.058 -18.287 123 HH11 ARG 17 1HH1 ARG 17 7.638 -0.555 -16.122 124 HH12 ARG 17 2HH1 ARG 17 9.238 -0.492 -16.782 125 HH21 ARG 17 1HH2 ARG 17 8.663 -2.985 -19.165 126 HH22 ARG 17 2HH2 ARG 17 9.820 -1.875 -18.514 127 H GLU 18 HN GLU 18 3.365 -6.051 -12.724 128 HA GLU 18 HA GLU 18 2.820 -8.028 -14.841 129 HB2 GLU 18 2HB GLU 18 3.390 -8.459 -11.915 130 HB3 GLU 18 3HB GLU 18 2.555 -9.666 -12.883 131 HG2 GLU 18 2HG GLU 18 5.318 -8.588 -13.397 132 HG3 GLU 18 3HG GLU 18 4.924 -10.162 -12.707 133 H GLU 19 HN GLU 19 1.454 -8.204 -11.648 134 HA GLU 19 HA GLU 19 -0.917 -6.741 -12.141 135 HB2 GLU 19 2HB GLU 19 -0.840 -9.278 -13.370 136 HB3 GLU 19 3HB GLU 19 -1.892 -9.442 -11.970 137 HG2 GLU 19 2HG GLU 19 -2.891 -7.183 -12.936 138 HG3 GLU 19 3HG GLU 19 -2.249 -7.849 -14.437 139 H MET 20 HN MET 20 -2.355 -6.760 -10.365 140 HA MET 20 HA MET 20 -1.380 -8.219 -8.001 141 HB2 MET 20 2HB MET 20 -1.984 -5.318 -8.339 142 HB3 MET 20 3HB MET 20 -2.357 -6.070 -6.793 143 HG2 MET 20 2HG MET 20 -0.082 -6.692 -6.462 144 HG3 MET 20 3HG MET 20 0.346 -6.203 -8.100 145 HE1 MET 20 1HE MET 20 -0.591 -3.981 -8.909 146 HE2 MET 20 2HE MET 20 -1.320 -2.804 -7.816 147 HE3 MET 20 3HE MET 20 0.367 -2.629 -8.303 148 H VAL 21 HN VAL 21 -2.953 -9.798 -8.097 149 HA VAL 21 HA VAL 21 -5.756 -9.012 -8.209 150 HB VAL 21 HB VAL 21 -6.181 -11.482 -8.123 151 HG11 VAL 21 1HG1 VAL 21 -5.624 -11.853 -10.402 152 HG12 VAL 21 2HG1 VAL 21 -5.941 -10.126 -10.231 153 HG13 VAL 21 3HG1 VAL 21 -4.281 -10.714 -10.328 154 HG21 VAL 21 1HG2 VAL 21 -4.568 -12.978 -7.735 155 HG22 VAL 21 2HG2 VAL 21 -3.452 -12.187 -8.848 156 HG23 VAL 21 3HG2 VAL 21 -3.594 -11.614 -7.186 157 H THR 22 HN THR 22 -3.375 -10.106 -5.920 158 HA THR 22 HA THR 22 -4.968 -9.354 -3.697 159 HB THR 22 HB THR 22 -6.155 -11.409 -4.027 160 HG1 THR 22 1HG THR 22 -6.014 -11.694 -1.943 161 HG21 THR 22 1HG2 THR 22 -3.578 -12.380 -4.865 162 HG22 THR 22 2HG2 THR 22 -5.172 -13.096 -5.105 163 HG23 THR 22 3HG2 THR 22 -4.262 -13.442 -3.635 164 H GLY 23 HN GLY 23 -3.851 -9.632 -1.650 165 HA2 GLY 23 1HA GLY 23 -1.984 -9.794 -0.303 166 HA3 GLY 23 2HA GLY 23 -1.200 -10.711 -1.579 167 H ALA 24 HN ALA 24 -2.401 -7.373 -1.193 168 HA ALA 24 HA ALA 24 0.282 -6.355 -1.669 169 HB1 ALA 24 1HB ALA 24 -0.430 -4.887 -3.499 170 HB2 ALA 24 2HB ALA 24 -0.594 -6.591 -3.924 171 HB3 ALA 24 3HB ALA 24 -2.020 -5.650 -3.485 172 H LYS 25 HN LYS 25 0.458 -4.041 -1.268 173 HA LYS 25 HA LYS 25 -1.626 -3.107 0.594 174 HB2 LYS 25 2HB LYS 25 1.150 -1.994 0.599 175 HB3 LYS 25 3HB LYS 25 -0.003 -2.120 1.922 176 HG2 LYS 25 2HG LYS 25 1.216 -4.566 0.698 177 HG3 LYS 25 3HG LYS 25 2.061 -3.642 1.942 178 HD2 LYS 25 2HD LYS 25 -0.673 -4.101 2.714 179 HD3 LYS 25 3HD LYS 25 0.117 -5.628 2.313 180 HE2 LYS 25 2HE LYS 25 1.505 -5.522 4.088 181 HE3 LYS 25 3HE LYS 25 1.712 -3.777 3.952 182 HZ1 LYS 25 1HZ LYS 25 -0.899 -4.132 4.718 183 HZ2 LYS 25 2HZ LYS 25 0.377 -3.613 5.700 184 HZ3 LYS 25 3HZ LYS 25 -0.034 -5.253 5.645 185 H ARG 26 HN ARG 26 -1.285 -0.543 0.854 186 HA ARG 26 HA ARG 26 -1.171 0.623 -1.845 187 HB2 ARG 26 2HB ARG 26 -3.525 0.290 -1.222 188 HB3 ARG 26 3HB ARG 26 -3.265 1.210 0.255 189 HG2 ARG 26 2HG ARG 26 -2.423 3.002 -1.564 190 HG3 ARG 26 3HG ARG 26 -3.631 2.133 -2.514 191 HD2 ARG 26 2HD ARG 26 -4.632 4.039 -1.382 192 HD3 ARG 26 3HD ARG 26 -5.291 2.526 -0.761 193 HE ARG 26 HE ARG 26 -3.101 3.385 0.817 194 HH11 ARG 26 1HH1 ARG 26 -6.453 4.065 0.161 195 HH12 ARG 26 2HH1 ARG 26 -6.761 4.725 1.732 196 HH21 ARG 26 1HH2 ARG 26 -3.497 4.252 2.891 197 HH22 ARG 26 2HH2 ARG 26 -5.079 4.831 3.283 198 H LEU 27 HN LEU 27 -0.128 2.533 -2.001 199 HA LEU 27 HA LEU 27 1.177 3.537 0.397 200 HB2 LEU 27 2HB LEU 27 1.520 4.183 -2.524 201 HB3 LEU 27 3HB LEU 27 2.426 4.968 -1.232 202 HG LEU 27 HG LEU 27 2.532 2.039 -1.951 203 HD11 LEU 27 1HD1 LEU 27 4.692 2.465 -2.822 204 HD12 LEU 27 2HD1 LEU 27 4.691 4.118 -2.209 205 HD13 LEU 27 3HD1 LEU 27 3.618 3.668 -3.534 206 HD21 LEU 27 1HD2 LEU 27 3.845 3.646 0.223 207 HD22 LEU 27 2HD2 LEU 27 4.503 2.113 -0.351 208 HD23 LEU 27 3HD2 LEU 27 2.894 2.168 0.371 209 HA PRO 28 HA PRO 28 -1.375 7.065 0.957 210 HB2 PRO 28 2HB PRO 28 0.428 8.863 1.897 211 HB3 PRO 28 3HB PRO 28 -0.153 7.495 2.854 212 HG2 PRO 28 2HG PRO 28 2.395 7.777 1.308 213 HG3 PRO 28 3HG PRO 28 2.136 7.093 2.923 214 HD2 PRO 28 2HD PRO 28 2.426 5.550 0.717 215 HD3 PRO 28 3HD PRO 28 1.404 5.074 2.089 216 H CYS 29 HN CYS 29 0.813 6.847 -1.499 217 HA CYS 29 HA CYS 29 0.355 9.597 -2.434 218 HB2 CYS 29 2HB CYS 29 2.161 8.956 -4.139 219 HB3 CYS 29 3HB CYS 29 2.672 9.179 -2.469 220 H ASN 30 HN ASN 30 -1.006 6.648 -2.686 221 HA ASN 30 HA ASN 30 -2.717 5.958 -4.062 222 HB2 ASN 30 2HB ASN 30 -2.558 8.552 -4.806 223 HB3 ASN 30 3HB ASN 30 -2.055 7.775 -6.304 224 HD21 ASN 30 1HD2 ASN 30 -4.375 9.274 -6.082 225 HD22 ASN 30 2HD2 ASN 30 -5.737 8.229 -6.283 226 H HIS 31 HN HIS 31 -0.307 4.680 -3.963 227 HA HIS 31 HA HIS 31 -0.151 3.561 -6.653 228 HB2 HIS 31 2HB HIS 31 2.274 4.486 -5.099 229 HB3 HIS 31 3HB HIS 31 2.328 3.536 -6.581 230 HD2 HIS 31 2HD HIS 31 0.627 5.124 -8.656 231 HE1 HIS 31 1HE HIS 31 2.534 8.656 -7.284 232 HE2 HIS 31 2HE HIS 31 1.115 7.625 -9.092 233 H ILE 32 HN ILE 32 -0.740 1.521 -6.300 234 HA ILE 32 HA ILE 32 0.132 0.168 -3.856 235 HB ILE 32 HB ILE 32 -1.957 -0.522 -5.912 236 HG12 ILE 32 2HG1 ILE 32 -2.662 -0.533 -3.078 237 HG13 ILE 32 3HG1 ILE 32 -2.052 1.026 -3.619 238 HG21 ILE 32 1HG2 ILE 32 -2.248 -2.363 -3.899 239 HG22 ILE 32 2HG2 ILE 32 -1.527 -2.671 -5.478 240 HG23 ILE 32 3HG2 ILE 32 -0.498 -2.279 -4.101 241 HD11 ILE 32 1HD1 ILE 32 -4.102 1.453 -4.335 242 HD12 ILE 32 2HD1 ILE 32 -3.833 0.250 -5.597 243 HD13 ILE 32 3HD1 ILE 32 -4.607 -0.217 -4.083 244 H PHE 33 HN PHE 33 1.406 -1.633 -3.846 245 HA PHE 33 HA PHE 33 2.215 -2.844 -6.365 246 HB2 PHE 33 2HB PHE 33 4.280 -1.760 -4.442 247 HB3 PHE 33 3HB PHE 33 4.580 -2.543 -5.991 248 HD1 PHE 33 1HD PHE 33 3.990 0.546 -4.305 249 HD2 PHE 33 2HD PHE 33 3.754 -1.382 -8.092 250 HE1 PHE 33 1HE PHE 33 3.946 2.741 -5.415 251 HE2 PHE 33 2HE PHE 33 3.710 0.809 -9.209 252 HZ PHE 33 HZ PHE 33 3.806 2.875 -7.871 253 H HIS 34 HN HIS 34 3.345 -4.867 -6.090 254 HA HIS 34 HA HIS 34 2.235 -6.620 -4.322 255 HB2 HIS 34 2HB HIS 34 4.939 -6.669 -5.651 256 HB3 HIS 34 3HB HIS 34 4.352 -8.014 -4.677 257 HD2 HIS 34 2HD HIS 34 1.328 -8.272 -5.824 258 HE1 HIS 34 1HE HIS 34 3.186 -8.519 -9.630 259 HE2 HIS 34 2HE HIS 34 1.060 -8.870 -8.327 260 H THR 35 HN THR 35 2.587 -7.322 -2.273 261 HA THR 35 HA THR 35 3.853 -5.594 -0.439 262 HB THR 35 HB THR 35 3.158 -8.481 0.102 263 HG1 THR 35 1HG THR 35 1.086 -7.929 0.163 264 HG21 THR 35 1HG2 THR 35 2.699 -6.310 2.063 265 HG22 THR 35 2HG2 THR 35 4.378 -6.735 1.733 266 HG23 THR 35 3HG2 THR 35 3.256 -7.964 2.313 267 H SER 36 HN SER 36 5.053 -8.158 -2.368 268 HA SER 36 HA SER 36 7.392 -8.582 -0.679 269 HB2 SER 36 2HB SER 36 6.959 -9.830 -3.384 270 HB3 SER 36 3HB SER 36 7.887 -10.451 -2.020 271 HG SER 36 HG SER 36 5.997 -10.925 -0.961 272 H CYS 37 HN CYS 37 6.523 -7.233 -3.819 273 HA CYS 37 HA CYS 37 9.168 -6.688 -4.678 274 HB2 CYS 37 2HB CYS 37 6.525 -5.460 -5.483 275 HB3 CYS 37 3HB CYS 37 8.051 -5.140 -6.299 276 H LEU 38 HN LEU 38 6.989 -5.079 -2.531 277 HA LEU 38 HA LEU 38 8.266 -2.514 -2.655 278 HB2 LEU 38 2HB LEU 38 6.241 -3.763 -0.829 279 HB3 LEU 38 3HB LEU 38 6.937 -2.182 -0.480 280 HG LEU 38 HG LEU 38 5.277 -2.932 -2.884 281 HD11 LEU 38 1HD1 LEU 38 3.825 -2.659 -1.070 282 HD12 LEU 38 2HD1 LEU 38 3.821 -1.091 -1.877 283 HD13 LEU 38 3HD1 LEU 38 4.763 -1.322 -0.405 284 HD21 LEU 38 1HD2 LEU 38 5.408 -0.403 -3.262 285 HD22 LEU 38 2HD2 LEU 38 6.810 -1.374 -3.713 286 HD23 LEU 38 3HD2 LEU 38 6.823 -0.449 -2.209 287 H ARG 39 HN ARG 39 8.135 -5.063 -0.162 288 HA ARG 39 HA ARG 39 9.941 -3.954 1.624 289 HB2 ARG 39 2HB ARG 39 9.412 -6.863 0.996 290 HB3 ARG 39 3HB ARG 39 10.336 -6.305 2.385 291 HG2 ARG 39 2HG ARG 39 8.226 -4.939 2.958 292 HG3 ARG 39 3HG ARG 39 7.411 -6.029 1.833 293 HD2 ARG 39 2HD ARG 39 7.502 -7.761 3.258 294 HD3 ARG 39 3HD ARG 39 9.146 -7.376 3.769 295 HE ARG 39 HE ARG 39 6.738 -6.684 5.114 296 HH11 ARG 39 1HH1 ARG 39 9.963 -5.564 4.434 297 HH12 ARG 39 2HH1 ARG 39 10.069 -4.597 5.868 298 HH21 ARG 39 1HH2 ARG 39 6.865 -5.413 7.003 299 HH22 ARG 39 2HH2 ARG 39 8.307 -4.512 7.328 300 H SER 40 HN SER 40 10.508 -5.482 -1.428 301 HA SER 40 HA SER 40 13.358 -5.805 -0.919 302 HB2 SER 40 2HB SER 40 11.628 -7.264 -2.430 303 HB3 SER 40 3HB SER 40 12.340 -6.221 -3.660 304 HG SER 40 HG SER 40 13.951 -7.600 -1.799 305 H TRP 41 HN TRP 41 11.158 -3.638 -2.503 306 HA TRP 41 HA TRP 41 13.153 -2.320 -4.093 307 HB2 TRP 41 2HB TRP 41 10.761 -2.377 -4.741 308 HB3 TRP 41 3HB TRP 41 10.376 -1.386 -3.337 309 HD1 TRP 41 1HD TRP 41 10.873 1.203 -3.490 310 HE1 TRP 41 1HE TRP 41 11.511 2.756 -5.442 311 HE3 TRP 41 3HE TRP 41 12.138 -2.332 -6.960 312 HZ2 TRP 41 2HZ TRP 41 12.428 2.513 -8.100 313 HZ3 TRP 41 3HZ TRP 41 12.884 -1.589 -9.184 314 HH2 TRP 41 2HH TRP 41 13.025 0.784 -9.740 315 H PHE 42 HN PHE 42 11.485 -1.643 -1.043 316 HA PHE 42 HA PHE 42 12.696 0.889 -0.623 317 HB2 PHE 42 2HB PHE 42 11.269 -1.052 1.184 318 HB3 PHE 42 3HB PHE 42 11.972 0.438 1.805 319 HD1 PHE 42 1HD PHE 42 10.877 0.882 -1.516 320 HD2 PHE 42 2HD PHE 42 9.482 0.696 2.501 321 HE1 PHE 42 1HE PHE 42 8.846 2.108 -2.169 322 HE2 PHE 42 2HE PHE 42 7.448 1.921 1.855 323 HZ PHE 42 HZ PHE 42 7.128 2.628 -0.482 324 H GLN 43 HN GLN 43 13.953 -2.211 -0.516 325 HA GLN 43 HA GLN 43 15.720 -2.056 1.676 326 HB2 GLN 43 2HB GLN 43 15.556 -3.715 -0.800 327 HB3 GLN 43 3HB GLN 43 17.050 -3.739 0.127 328 HG2 GLN 43 2HG GLN 43 14.883 -4.049 1.933 329 HG3 GLN 43 3HG GLN 43 14.656 -5.171 0.593 330 HE21 GLN 43 1HE2 GLN 43 14.999 -6.809 2.227 331 HE22 GLN 43 2HE2 GLN 43 16.612 -7.255 2.655 332 H ARG 44 HN ARG 44 16.012 -1.066 -1.696 333 HA ARG 44 HA ARG 44 18.514 0.319 -0.988 334 HB2 ARG 44 2HB ARG 44 17.881 -0.914 -3.675 335 HB3 ARG 44 3HB ARG 44 19.378 -0.115 -3.211 336 HG2 ARG 44 2HG ARG 44 19.594 -1.919 -1.426 337 HG3 ARG 44 3HG ARG 44 18.320 -2.768 -2.303 338 HD2 ARG 44 2HD ARG 44 19.725 -2.619 -4.353 339 HD3 ARG 44 3HD ARG 44 21.014 -1.933 -3.365 340 HE ARG 44 HE ARG 44 20.208 -4.350 -2.210 341 HH11 ARG 44 1HH1 ARG 44 21.791 -3.179 -5.081 342 HH12 ARG 44 2HH1 ARG 44 22.730 -4.618 -5.307 343 HH21 ARG 44 1HH2 ARG 44 21.439 -6.249 -2.498 344 HH22 ARG 44 2HH2 ARG 44 22.528 -6.364 -3.837 345 H GLN 45 HN GLN 45 15.359 0.556 -2.122 346 HA GLN 45 HA GLN 45 15.820 3.336 -2.917 347 HB2 GLN 45 2HB GLN 45 14.313 1.270 -4.511 348 HB3 GLN 45 3HB GLN 45 14.079 2.997 -4.741 349 HG2 GLN 45 2HG GLN 45 15.603 2.357 -6.392 350 HG3 GLN 45 3HG GLN 45 16.574 3.138 -5.147 351 HE21 GLN 45 1HE2 GLN 45 15.291 -0.113 -5.786 352 HE22 GLN 45 2HE2 GLN 45 16.777 -0.942 -5.487 353 H GLN 46 HN GLN 46 14.903 4.129 -1.059 354 HA GLN 46 HA GLN 46 12.408 3.166 -0.042 355 HB2 GLN 46 2HB GLN 46 12.794 4.519 1.744 356 HB3 GLN 46 3HB GLN 46 14.431 4.494 1.102 357 HG2 GLN 46 2HG GLN 46 12.362 6.638 0.681 358 HG3 GLN 46 3HG GLN 46 13.817 6.744 1.672 359 HE21 GLN 46 1HE2 GLN 46 13.411 8.636 -0.189 360 HE22 GLN 46 2HE2 GLN 46 14.505 8.441 -1.511 361 H THR 47 HN THR 47 12.969 4.726 -2.789 362 HA THR 47 HA THR 47 10.746 6.622 -2.575 363 HB THR 47 HB THR 47 11.760 6.711 -5.190 364 HG1 THR 47 1HG THR 47 13.956 6.773 -4.943 365 HG21 THR 47 1HG2 THR 47 10.969 8.553 -3.621 366 HG22 THR 47 2HG2 THR 47 12.356 8.930 -4.642 367 HG23 THR 47 3HG2 THR 47 12.596 8.529 -2.942 368 H CYS 48 HN CYS 48 8.948 6.534 -3.927 369 HA CYS 48 HA CYS 48 7.837 4.064 -4.460 370 HB2 CYS 48 2HB CYS 48 6.985 6.676 -4.626 371 HB3 CYS 48 3HB CYS 48 6.934 6.153 -6.306 372 HA PRO 49 HA PRO 49 9.872 2.626 -8.095 373 HB2 PRO 49 2HB PRO 49 8.026 0.799 -8.886 374 HB3 PRO 49 3HB PRO 49 9.104 0.541 -7.509 375 HG2 PRO 49 2HG PRO 49 6.250 1.441 -7.538 376 HG3 PRO 49 3HG PRO 49 7.043 0.271 -6.466 377 HD2 PRO 49 2HD PRO 49 6.540 2.825 -5.717 378 HD3 PRO 49 3HD PRO 49 7.950 1.918 -5.133 379 H THR 50 HN THR 50 7.202 4.575 -8.072 380 HA THR 50 HA THR 50 7.218 4.774 -11.005 381 HB THR 50 HB THR 50 5.167 3.585 -10.366 382 HG1 THR 50 1HG THR 50 3.795 5.692 -11.065 383 HG21 THR 50 1HG2 THR 50 3.507 4.530 -8.952 384 HG22 THR 50 2HG2 THR 50 4.355 6.075 -8.874 385 HG23 THR 50 3HG2 THR 50 5.033 4.656 -8.078 386 H CYS 51 HN CYS 51 6.086 6.368 -8.023 387 HA CYS 51 HA CYS 51 6.507 8.974 -9.289 388 HB2 CYS 51 2HB CYS 51 5.082 9.893 -7.683 389 HB3 CYS 51 3HB CYS 51 4.378 8.305 -7.972 390 H ARG 52 HN ARG 52 8.244 6.814 -7.511 391 HA ARG 52 HA ARG 52 9.921 6.977 -5.923 392 HB2 ARG 52 2HB ARG 52 11.648 8.753 -6.869 393 HB3 ARG 52 3HB ARG 52 11.351 7.227 -7.691 394 HG2 ARG 52 2HG ARG 52 11.277 8.756 -9.416 395 HG3 ARG 52 3HG ARG 52 9.571 8.551 -9.012 396 HD2 ARG 52 2HD ARG 52 10.091 10.568 -7.381 397 HD3 ARG 52 3HD ARG 52 11.375 10.869 -8.551 398 HE ARG 52 HE ARG 52 8.527 11.173 -8.964 399 HH11 ARG 52 1HH1 ARG 52 11.673 10.895 -10.430 400 HH12 ARG 52 2HH1 ARG 52 11.189 11.640 -11.917 401 HH21 ARG 52 1HH2 ARG 52 7.879 12.156 -10.918 402 HH22 ARG 52 2HH2 ARG 52 9.032 12.359 -12.193 403 H MET 53 HN MET 53 7.775 8.377 -4.929 404 HA MET 53 HA MET 53 8.889 10.911 -3.955 405 HB2 MET 53 2HB MET 53 6.622 10.953 -4.964 406 HB3 MET 53 3HB MET 53 6.068 9.851 -3.710 407 HG2 MET 53 2HG MET 53 6.210 11.454 -2.051 408 HG3 MET 53 3HG MET 53 7.337 12.450 -2.971 409 HE1 MET 53 1HE MET 53 3.073 12.097 -2.590 410 HE2 MET 53 2HE MET 53 3.142 11.605 -4.282 411 HE3 MET 53 3HE MET 53 4.087 10.737 -3.071 412 H ASP 54 HN ASP 54 9.937 10.812 -2.089 413 HA ASP 54 HA ASP 54 10.299 8.806 -0.362 414 HB2 ASP 54 2HB ASP 54 11.507 10.712 0.174 415 HB3 ASP 54 3HB ASP 54 10.088 11.754 0.117 416 H VAL 55 HN VAL 55 9.140 7.576 0.971 417 HA VAL 55 HA VAL 55 6.444 8.503 1.724 418 HB VAL 55 HB VAL 55 5.916 6.025 1.942 419 HG11 VAL 55 1HG1 VAL 55 6.576 6.876 -0.866 420 HG12 VAL 55 2HG1 VAL 55 5.250 5.849 -0.316 421 HG13 VAL 55 3HG1 VAL 55 5.242 7.574 0.052 422 HG21 VAL 55 1HG2 VAL 55 7.280 4.451 0.751 423 HG22 VAL 55 2HG2 VAL 55 8.361 5.731 0.201 424 HG23 VAL 55 3HG2 VAL 55 8.301 5.302 1.910 425 H LEU 56 HN LEU 56 9.291 6.689 2.767 426 HA LEU 56 HA LEU 56 8.672 5.790 5.227 427 HB2 LEU 56 2HB LEU 56 11.086 6.860 3.987 428 HB3 LEU 56 3HB LEU 56 11.079 7.015 5.743 429 HG LEU 56 HG LEU 56 12.221 4.978 4.979 430 HD11 LEU 56 1HD1 LEU 56 11.117 3.435 6.477 431 HD12 LEU 56 2HD1 LEU 56 9.643 4.404 6.434 432 HD13 LEU 56 3HD1 LEU 56 11.107 5.057 7.171 433 HD21 LEU 56 1HD2 LEU 56 11.127 3.239 3.836 434 HD22 LEU 56 2HD2 LEU 56 10.696 4.710 2.963 435 HD23 LEU 56 3HD2 LEU 56 9.540 3.971 4.070 Start of MODEL 6 1 H1 ALA 1 HN ALA 1 -4.161 -4.318 -0.148 2 HA ALA 1 HA ALA 1 -5.878 -2.275 -0.307 3 HB1 ALA 1 1HB ALA 1 -4.333 -1.834 -1.856 4 HB2 ALA 1 2HB ALA 1 -4.079 -3.543 -2.213 5 HB3 ALA 1 3HB ALA 1 -5.402 -2.669 -2.985 6 H THR 2 HN THR 2 -7.840 -1.754 -1.190 7 HA THR 2 HA THR 2 -9.720 -3.875 -1.516 8 HB THR 2 HB THR 2 -11.087 -1.712 -2.410 9 HG1 THR 2 1HG THR 2 -10.311 0.115 -1.359 10 HG21 THR 2 1HG2 THR 2 -10.930 -1.505 0.442 11 HG22 THR 2 2HG2 THR 2 -10.875 -3.205 -0.025 12 HG23 THR 2 3HG2 THR 2 -12.216 -2.188 -0.551 13 HA PRO 3 HA PRO 3 -9.758 -4.521 -5.856 14 HB2 PRO 3 2HB PRO 3 -12.409 -4.741 -6.401 15 HB3 PRO 3 3HB PRO 3 -11.501 -5.984 -5.532 16 HG2 PRO 3 2HG PRO 3 -13.277 -3.832 -4.448 17 HG3 PRO 3 3HG PRO 3 -13.168 -5.537 -3.974 18 HD2 PRO 3 2HD PRO 3 -11.990 -3.552 -2.559 19 HD3 PRO 3 3HD PRO 3 -11.301 -5.183 -2.670 20 H GLU 4 HN GLU 4 -11.992 -2.016 -4.722 21 HA GLU 4 HA GLU 4 -12.416 -0.787 -7.226 22 HB2 GLU 4 2HB GLU 4 -13.535 -0.490 -4.798 23 HB3 GLU 4 3HB GLU 4 -12.468 0.906 -4.793 24 HG2 GLU 4 2HG GLU 4 -13.850 2.039 -6.094 25 HG3 GLU 4 3HG GLU 4 -13.856 0.747 -7.294 26 H GLU 5 HN GLU 5 -10.129 -0.087 -4.603 27 HA GLU 5 HA GLU 5 -8.918 2.120 -5.932 28 HB2 GLU 5 2HB GLU 5 -7.956 0.401 -3.639 29 HB3 GLU 5 3HB GLU 5 -7.136 1.853 -4.195 30 HG2 GLU 5 2HG GLU 5 -9.976 1.802 -3.210 31 HG3 GLU 5 3HG GLU 5 -8.582 2.173 -2.197 32 H LEU 6 HN LEU 6 -8.426 -1.319 -5.972 33 HA LEU 6 HA LEU 6 -5.808 -1.245 -7.125 34 HB2 LEU 6 2HB LEU 6 -7.831 -3.315 -6.506 35 HB3 LEU 6 3HB LEU 6 -6.659 -3.697 -7.766 36 HG LEU 6 HG LEU 6 -5.823 -2.790 -5.024 37 HD11 LEU 6 1HD1 LEU 6 -7.299 -4.865 -5.011 38 HD12 LEU 6 2HD1 LEU 6 -5.704 -5.007 -4.274 39 HD13 LEU 6 3HD1 LEU 6 -5.991 -5.661 -5.886 40 HD21 LEU 6 1HD2 LEU 6 -4.469 -4.150 -7.339 41 HD22 LEU 6 2HD2 LEU 6 -3.783 -4.130 -5.714 42 HD23 LEU 6 3HD2 LEU 6 -4.057 -2.614 -6.575 43 H GLN 7 HN GLN 7 -8.979 -2.205 -8.452 44 HA GLN 7 HA GLN 7 -8.102 -2.329 -11.128 45 HB2 GLN 7 2HB GLN 7 -10.448 -2.922 -9.748 46 HB3 GLN 7 3HB GLN 7 -10.915 -1.649 -10.868 47 HG2 GLN 7 2HG GLN 7 -9.690 -3.082 -12.635 48 HG3 GLN 7 3HG GLN 7 -9.851 -4.378 -11.450 49 HE21 GLN 7 1HE2 GLN 7 -11.094 -3.694 -14.160 50 HE22 GLN 7 2HE2 GLN 7 -12.784 -3.947 -13.904 51 H ALA 8 HN ALA 8 -8.445 0.312 -9.147 52 HA ALA 8 HA ALA 8 -9.239 2.147 -11.280 53 HB1 ALA 8 1HB ALA 8 -8.816 2.532 -8.325 54 HB2 ALA 8 2HB ALA 8 -9.140 3.860 -9.440 55 HB3 ALA 8 3HB ALA 8 -10.335 2.581 -9.221 56 H MET 9 HN MET 9 -6.559 0.652 -10.897 57 HA MET 9 HA MET 9 -4.923 2.824 -11.829 58 HB2 MET 9 2HB MET 9 -3.228 2.734 -10.128 59 HB3 MET 9 3HB MET 9 -4.772 3.048 -9.349 60 HG2 MET 9 2HG MET 9 -4.626 1.213 -8.114 61 HG3 MET 9 3HG MET 9 -4.214 0.218 -9.508 62 HE1 MET 9 1HE MET 9 -2.354 -0.701 -10.037 63 HE2 MET 9 2HE MET 9 -1.072 0.465 -10.361 64 HE3 MET 9 3HE MET 9 -0.853 -0.762 -9.113 65 H ASP 10 HN ASP 10 -5.885 0.265 -12.799 66 HA ASP 10 HA ASP 10 -5.056 -1.340 -14.205 67 HB2 ASP 10 2HB ASP 10 -2.921 0.427 -14.000 68 HB3 ASP 10 3HB ASP 10 -2.221 -1.133 -13.574 69 H ASN 11 HN ASN 11 -4.637 -1.160 -10.917 70 HA ASN 11 HA ASN 11 -3.974 -2.644 -9.279 71 HB2 ASN 11 2HB ASN 11 -5.448 -4.456 -9.171 72 HB3 ASN 11 3HB ASN 11 -6.300 -3.313 -10.207 73 HD21 ASN 11 1HD2 ASN 11 -4.791 -6.384 -9.979 74 HD22 ASN 11 2HD2 ASN 11 -5.159 -6.930 -11.576 75 H VAL 12 HN VAL 12 -2.037 -2.435 -11.428 76 HA VAL 12 HA VAL 12 -0.895 -5.151 -11.320 77 HB VAL 12 HB VAL 12 -0.881 -3.127 -13.527 78 HG11 VAL 12 1HG1 VAL 12 1.438 -3.469 -13.302 79 HG12 VAL 12 2HG1 VAL 12 1.234 -5.191 -12.972 80 HG13 VAL 12 3HG1 VAL 12 0.928 -4.560 -14.591 81 HG21 VAL 12 1HG2 VAL 12 -1.912 -4.728 -14.733 82 HG22 VAL 12 2HG2 VAL 12 -0.934 -6.025 -14.047 83 HG23 VAL 12 3HG2 VAL 12 -2.310 -5.389 -13.148 84 H CYS 13 HN CYS 13 1.018 -5.361 -10.348 85 HA CYS 13 HA CYS 13 2.236 -3.180 -9.019 86 HB2 CYS 13 2HB CYS 13 2.383 -5.429 -8.113 87 HB3 CYS 13 3HB CYS 13 3.247 -5.983 -9.545 88 H ILE 14 HN ILE 14 3.397 -1.635 -9.939 89 HA ILE 14 HA ILE 14 4.473 -1.794 -12.545 90 HB ILE 14 HB ILE 14 3.846 0.298 -11.140 91 HG12 ILE 14 2HG1 ILE 14 4.610 0.486 -13.414 92 HG13 ILE 14 3HG1 ILE 14 5.487 1.670 -12.450 93 HG21 ILE 14 1HG2 ILE 14 5.736 1.381 -10.041 94 HG22 ILE 14 2HG2 ILE 14 5.362 -0.165 -9.282 95 HG23 ILE 14 3HG2 ILE 14 6.744 -0.028 -10.370 96 HD11 ILE 14 1HD1 ILE 14 7.286 -0.200 -12.297 97 HD12 ILE 14 2HD1 ILE 14 6.467 -0.836 -13.723 98 HD13 ILE 14 3HD1 ILE 14 7.154 0.788 -13.751 99 H ILE 15 HN ILE 15 5.997 -1.956 -9.340 100 HA ILE 15 HA ILE 15 8.620 -1.982 -9.779 101 HB ILE 15 HB ILE 15 7.188 -4.139 -8.223 102 HG12 ILE 15 2HG1 ILE 15 8.499 -1.778 -6.959 103 HG13 ILE 15 3HG1 ILE 15 6.946 -1.532 -7.750 104 HG21 ILE 15 1HG2 ILE 15 9.220 -5.042 -8.025 105 HG22 ILE 15 2HG2 ILE 15 10.008 -3.623 -8.711 106 HG23 ILE 15 3HG2 ILE 15 9.604 -3.663 -6.995 107 HD11 ILE 15 1HD1 ILE 15 6.420 -1.949 -5.522 108 HD12 ILE 15 2HD1 ILE 15 6.122 -3.486 -6.333 109 HD13 ILE 15 3HD1 ILE 15 7.596 -3.256 -5.392 110 H CYS 16 HN CYS 16 6.562 -4.810 -10.447 111 HA CYS 16 HA CYS 16 8.698 -5.831 -12.204 112 HB2 CYS 16 2HB CYS 16 7.840 -8.088 -11.765 113 HB3 CYS 16 3HB CYS 16 8.316 -7.289 -10.269 114 H ARG 17 HN ARG 17 5.814 -4.316 -12.266 115 HA ARG 17 HA ARG 17 4.070 -4.147 -13.733 116 HB2 ARG 17 2HB ARG 17 6.412 -4.829 -15.497 117 HB3 ARG 17 3HB ARG 17 4.821 -4.497 -16.170 118 HG2 ARG 17 2HG ARG 17 5.121 -2.354 -14.559 119 HG3 ARG 17 3HG ARG 17 6.801 -2.669 -15.000 120 HD2 ARG 17 2HD ARG 17 5.399 -2.932 -17.382 121 HD3 ARG 17 3HD ARG 17 4.647 -1.553 -16.582 122 HE ARG 17 HE ARG 17 7.338 -1.711 -17.629 123 HH11 ARG 17 1HH1 ARG 17 5.119 -0.023 -15.544 124 HH12 ARG 17 2HH1 ARG 17 6.025 1.454 -15.558 125 HH21 ARG 17 1HH2 ARG 17 8.539 0.229 -17.657 126 HH22 ARG 17 2HH2 ARG 17 7.969 1.596 -16.761 127 H GLU 18 HN GLU 18 3.495 -6.292 -12.463 128 HA GLU 18 HA GLU 18 3.042 -8.408 -14.463 129 HB2 GLU 18 2HB GLU 18 3.377 -8.582 -11.470 130 HB3 GLU 18 3HB GLU 18 2.752 -9.910 -12.439 131 HG2 GLU 18 2HG GLU 18 4.813 -10.052 -13.667 132 HG3 GLU 18 3HG GLU 18 5.440 -8.622 -12.848 133 H GLU 19 HN GLU 19 1.489 -8.356 -11.353 134 HA GLU 19 HA GLU 19 -0.881 -7.010 -12.059 135 HB2 GLU 19 2HB GLU 19 -0.667 -9.611 -13.163 136 HB3 GLU 19 3HB GLU 19 -1.840 -9.703 -11.857 137 HG2 GLU 19 2HG GLU 19 -3.357 -8.911 -13.253 138 HG3 GLU 19 3HG GLU 19 -2.485 -7.378 -13.253 139 H MET 20 HN MET 20 -2.362 -6.916 -10.355 140 HA MET 20 HA MET 20 -1.584 -8.355 -7.908 141 HB2 MET 20 2HB MET 20 -2.088 -5.433 -8.319 142 HB3 MET 20 3HB MET 20 -2.480 -6.164 -6.768 143 HG2 MET 20 2HG MET 20 -0.229 -6.793 -6.394 144 HG3 MET 20 3HG MET 20 0.223 -6.403 -8.051 145 HE1 MET 20 1HE MET 20 -1.341 -2.941 -7.945 146 HE2 MET 20 2HE MET 20 0.349 -2.848 -8.439 147 HE3 MET 20 3HE MET 20 -0.654 -4.198 -8.975 148 H VAL 21 HN VAL 21 -3.199 -9.816 -7.773 149 HA VAL 21 HA VAL 21 -5.935 -9.101 -8.374 150 HB VAL 21 HB VAL 21 -6.276 -11.513 -7.369 151 HG11 VAL 21 1HG1 VAL 21 -5.178 -10.678 -10.014 152 HG12 VAL 21 2HG1 VAL 21 -5.402 -12.395 -9.673 153 HG13 VAL 21 3HG1 VAL 21 -6.779 -11.293 -9.604 154 HG21 VAL 21 1HG2 VAL 21 -3.396 -11.707 -8.210 155 HG22 VAL 21 2HG2 VAL 21 -3.879 -11.504 -6.526 156 HG23 VAL 21 3HG2 VAL 21 -4.393 -12.932 -7.425 157 H THR 22 HN THR 22 -3.915 -9.474 -5.563 158 HA THR 22 HA THR 22 -5.621 -8.053 -3.865 159 HB THR 22 HB THR 22 -6.920 -10.261 -4.134 160 HG1 THR 22 1HG THR 22 -6.657 -8.584 -2.146 161 HG21 THR 22 1HG2 THR 22 -4.764 -11.176 -2.225 162 HG22 THR 22 2HG2 THR 22 -4.994 -11.762 -3.872 163 HG23 THR 22 3HG2 THR 22 -6.223 -12.071 -2.647 164 H GLY 23 HN GLY 23 -3.051 -10.379 -4.270 165 HA2 GLY 23 1HA GLY 23 -1.941 -10.058 -1.649 166 HA3 GLY 23 2HA GLY 23 -1.158 -10.819 -3.026 167 H ALA 24 HN ALA 24 -2.255 -7.540 -2.141 168 HA ALA 24 HA ALA 24 0.447 -6.536 -2.452 169 HB1 ALA 24 1HB ALA 24 -0.851 -4.675 -3.971 170 HB2 ALA 24 2HB ALA 24 0.145 -5.988 -4.602 171 HB3 ALA 24 3HB ALA 24 -1.606 -6.178 -4.503 172 H LYS 25 HN LYS 25 0.649 -4.279 -1.777 173 HA LYS 25 HA LYS 25 -1.447 -3.560 0.163 174 HB2 LYS 25 2HB LYS 25 1.439 -2.671 0.204 175 HB3 LYS 25 3HB LYS 25 0.247 -2.495 1.487 176 HG2 LYS 25 2HG LYS 25 1.416 -5.085 0.488 177 HG3 LYS 25 3HG LYS 25 1.808 -4.271 2.005 178 HD2 LYS 25 2HD LYS 25 -0.926 -4.476 2.122 179 HD3 LYS 25 3HD LYS 25 -0.462 -5.978 1.319 180 HE2 LYS 25 2HE LYS 25 1.370 -5.909 3.291 181 HE3 LYS 25 3HE LYS 25 0.042 -5.058 4.079 182 HZ1 LYS 25 1HZ LYS 25 -1.248 -6.903 4.108 183 HZ2 LYS 25 2HZ LYS 25 0.257 -7.673 4.134 184 HZ3 LYS 25 3HZ LYS 25 -0.599 -7.540 2.680 185 H ARG 26 HN ARG 26 -1.264 -1.077 0.699 186 HA ARG 26 HA ARG 26 -1.217 0.374 -1.866 187 HB2 ARG 26 2HB ARG 26 -3.506 0.066 -1.035 188 HB3 ARG 26 3HB ARG 26 -3.059 0.817 0.490 189 HG2 ARG 26 2HG ARG 26 -2.807 2.933 -0.503 190 HG3 ARG 26 3HG ARG 26 -2.807 2.254 -2.131 191 HD2 ARG 26 2HD ARG 26 -4.935 3.300 -1.708 192 HD3 ARG 26 3HD ARG 26 -5.154 1.553 -1.797 193 HE ARG 26 HE ARG 26 -5.891 1.595 0.359 194 HH11 ARG 26 1HH1 ARG 26 -4.041 4.483 -0.237 195 HH12 ARG 26 2HH1 ARG 26 -4.392 5.183 1.308 196 HH21 ARG 26 1HH2 ARG 26 -6.361 2.505 2.396 197 HH22 ARG 26 2HH2 ARG 26 -5.711 4.057 2.806 198 H LEU 27 HN LEU 27 -0.337 2.422 -1.903 199 HA LEU 27 HA LEU 27 1.315 3.101 0.419 200 HB2 LEU 27 2HB LEU 27 1.423 3.908 -2.475 201 HB3 LEU 27 3HB LEU 27 2.408 4.681 -1.234 202 HG LEU 27 HG LEU 27 2.522 1.772 -2.032 203 HD11 LEU 27 1HD1 LEU 27 4.699 3.799 -2.373 204 HD12 LEU 27 2HD1 LEU 27 3.447 3.595 -3.599 205 HD13 LEU 27 3HD1 LEU 27 4.490 2.239 -3.171 206 HD21 LEU 27 1HD2 LEU 27 4.612 1.860 -0.594 207 HD22 LEU 27 2HD2 LEU 27 3.068 1.864 0.258 208 HD23 LEU 27 3HD2 LEU 27 3.973 3.366 0.064 209 HA PRO 28 HA PRO 28 -1.052 6.635 1.505 210 HB2 PRO 28 2HB PRO 28 0.891 8.299 2.416 211 HB3 PRO 28 3HB PRO 28 0.354 6.871 3.307 212 HG2 PRO 28 2HG PRO 28 2.757 7.217 1.556 213 HG3 PRO 28 3HG PRO 28 2.625 6.405 3.127 214 HD2 PRO 28 2HD PRO 28 2.658 5.049 0.784 215 HD3 PRO 28 3HD PRO 28 1.751 4.484 2.201 216 H CYS 29 HN CYS 29 0.891 6.570 -1.156 217 HA CYS 29 HA CYS 29 0.388 9.392 -1.827 218 HB2 CYS 29 2HB CYS 29 2.094 8.915 -3.681 219 HB3 CYS 29 3HB CYS 29 2.703 9.017 -2.032 220 H ASN 30 HN ASN 30 -1.011 6.500 -2.195 221 HA ASN 30 HA ASN 30 -2.797 5.911 -3.522 222 HB2 ASN 30 2HB ASN 30 -2.763 8.496 -4.077 223 HB3 ASN 30 3HB ASN 30 -2.117 7.932 -5.615 224 HD21 ASN 30 1HD2 ASN 30 -3.819 8.354 -6.902 225 HD22 ASN 30 2HD2 ASN 30 -5.376 7.622 -6.733 226 H HIS 31 HN HIS 31 -0.605 4.441 -3.600 227 HA HIS 31 HA HIS 31 -0.542 3.505 -6.343 228 HB2 HIS 31 2HB HIS 31 1.995 4.307 -4.902 229 HB3 HIS 31 3HB HIS 31 1.931 3.436 -6.431 230 HD2 HIS 31 2HD HIS 31 0.182 5.151 -8.335 231 HE1 HIS 31 1HE HIS 31 2.184 8.590 -6.862 232 HE2 HIS 31 2HE HIS 31 0.678 7.668 -8.660 233 H ILE 32 HN ILE 32 -1.047 1.433 -6.122 234 HA ILE 32 HA ILE 32 -0.212 -0.022 -3.731 235 HB ILE 32 HB ILE 32 -2.222 -0.585 -5.890 236 HG12 ILE 32 2HG1 ILE 32 -2.837 -0.974 -3.030 237 HG13 ILE 32 3HG1 ILE 32 -2.439 0.679 -3.485 238 HG21 ILE 32 1HG2 ILE 32 -0.698 -2.525 -4.336 239 HG22 ILE 32 2HG2 ILE 32 -2.443 -2.703 -4.158 240 HG23 ILE 32 3HG2 ILE 32 -1.711 -2.757 -5.762 241 HD11 ILE 32 1HD1 ILE 32 -4.585 0.873 -4.019 242 HD12 ILE 32 2HD1 ILE 32 -4.198 -0.093 -5.444 243 HD13 ILE 32 3HD1 ILE 32 -4.835 -0.873 -3.996 244 H PHE 33 HN PHE 33 1.210 -1.680 -3.728 245 HA PHE 33 HA PHE 33 2.128 -2.818 -6.247 246 HB2 PHE 33 2HB PHE 33 4.043 -1.553 -4.276 247 HB3 PHE 33 3HB PHE 33 4.488 -2.417 -5.744 248 HD1 PHE 33 1HD PHE 33 3.481 -1.463 -7.956 249 HD2 PHE 33 2HD PHE 33 3.850 0.739 -4.333 250 HE1 PHE 33 1HE PHE 33 3.372 0.641 -9.227 251 HE2 PHE 33 2HE PHE 33 3.740 2.846 -5.598 252 HZ PHE 33 HZ PHE 33 3.500 2.798 -8.049 253 H HIS 34 HN HIS 34 3.279 -4.800 -6.001 254 HA HIS 34 HA HIS 34 2.272 -6.610 -4.236 255 HB2 HIS 34 2HB HIS 34 4.951 -6.528 -5.611 256 HB3 HIS 34 3HB HIS 34 4.465 -7.898 -4.616 257 HD2 HIS 34 2HD HIS 34 1.302 -7.936 -5.802 258 HE1 HIS 34 1HE HIS 34 3.299 -8.789 -9.447 259 HE2 HIS 34 2HE HIS 34 1.087 -8.770 -8.241 260 H THR 35 HN THR 35 2.724 -7.368 -2.213 261 HA THR 35 HA THR 35 3.971 -5.583 -0.386 262 HB THR 35 HB THR 35 3.368 -8.443 0.297 263 HG1 THR 35 1HG THR 35 1.180 -7.251 0.785 264 HG21 THR 35 1HG2 THR 35 3.130 -5.825 1.783 265 HG22 THR 35 2HG2 THR 35 4.337 -7.084 2.047 266 HG23 THR 35 3HG2 THR 35 2.642 -7.393 2.424 267 H SER 36 HN SER 36 5.153 -8.112 -2.343 268 HA SER 36 HA SER 36 7.496 -8.568 -0.657 269 HB2 SER 36 2HB SER 36 8.076 -10.288 -2.377 270 HB3 SER 36 3HB SER 36 6.509 -10.558 -1.617 271 HG SER 36 HG SER 36 5.501 -9.821 -3.439 272 H CYS 37 HN CYS 37 6.534 -6.990 -3.612 273 HA CYS 37 HA CYS 37 9.214 -6.533 -4.545 274 HB2 CYS 37 2HB CYS 37 6.558 -5.359 -5.387 275 HB3 CYS 37 3HB CYS 37 8.087 -5.022 -6.193 276 H LEU 38 HN LEU 38 6.855 -4.804 -2.626 277 HA LEU 38 HA LEU 38 8.135 -2.271 -2.709 278 HB2 LEU 38 2HB LEU 38 6.072 -3.532 -0.952 279 HB3 LEU 38 3HB LEU 38 6.773 -1.975 -0.516 280 HG LEU 38 HG LEU 38 5.284 -2.563 -3.075 281 HD11 LEU 38 1HD1 LEU 38 4.420 -1.694 -0.407 282 HD12 LEU 38 2HD1 LEU 38 3.504 -2.449 -1.711 283 HD13 LEU 38 3HD1 LEU 38 3.820 -0.714 -1.746 284 HD21 LEU 38 1HD2 LEU 38 7.127 -0.549 -2.490 285 HD22 LEU 38 2HD2 LEU 38 5.542 0.208 -2.330 286 HD23 LEU 38 3HD2 LEU 38 5.989 -0.597 -3.835 287 H ARG 39 HN ARG 39 7.991 -4.735 -0.131 288 HA ARG 39 HA ARG 39 9.834 -3.514 1.580 289 HB2 ARG 39 2HB ARG 39 9.215 -6.457 1.256 290 HB3 ARG 39 3HB ARG 39 10.058 -5.741 2.623 291 HG2 ARG 39 2HG ARG 39 7.887 -4.271 2.779 292 HG3 ARG 39 3HG ARG 39 7.180 -5.626 1.896 293 HD2 ARG 39 2HD ARG 39 7.384 -7.052 3.651 294 HD3 ARG 39 3HD ARG 39 8.868 -6.295 4.230 295 HE ARG 39 HE ARG 39 6.708 -4.533 4.614 296 HH11 ARG 39 1HH1 ARG 39 7.995 -7.528 5.833 297 HH12 ARG 39 2HH1 ARG 39 7.326 -7.321 7.418 298 HH21 ARG 39 1HH2 ARG 39 5.822 -4.249 6.696 299 HH22 ARG 39 2HH2 ARG 39 6.090 -5.456 7.907 300 H SER 40 HN SER 40 10.295 -5.361 -1.308 301 HA SER 40 HA SER 40 13.126 -5.788 -0.769 302 HB2 SER 40 2HB SER 40 11.298 -6.636 -3.015 303 HB3 SER 40 3HB SER 40 13.045 -6.873 -3.081 304 HG SER 40 HG SER 40 12.464 -8.688 -2.130 305 H TRP 41 HN TRP 41 11.058 -3.596 -2.421 306 HA TRP 41 HA TRP 41 13.050 -2.605 -4.243 307 HB2 TRP 41 2HB TRP 41 10.721 -2.450 -4.880 308 HB3 TRP 41 3HB TRP 41 10.346 -1.523 -3.429 309 HD1 TRP 41 1HD TRP 41 10.787 1.064 -3.488 310 HE1 TRP 41 1HE TRP 41 11.477 2.702 -5.351 311 HE3 TRP 41 3HE TRP 41 12.218 -2.313 -7.050 312 HZ2 TRP 41 2HZ TRP 41 12.492 2.578 -7.982 313 HZ3 TRP 41 3HZ TRP 41 13.036 -1.472 -9.213 314 HH2 TRP 41 2HH TRP 41 13.169 0.924 -9.667 315 H PHE 42 HN PHE 42 11.532 -1.406 -1.260 316 HA PHE 42 HA PHE 42 13.133 0.947 -1.132 317 HB2 PHE 42 2HB PHE 42 11.492 -0.455 0.986 318 HB3 PHE 42 3HB PHE 42 12.239 1.126 1.190 319 HD1 PHE 42 1HD PHE 42 9.213 -0.101 0.980 320 HD2 PHE 42 2HD PHE 42 11.716 2.422 -1.363 321 HE1 PHE 42 1HE PHE 42 7.220 0.960 0.000 322 HE2 PHE 42 2HE PHE 42 9.728 3.487 -2.345 323 HZ PHE 42 HZ PHE 42 7.477 2.758 -1.664 324 H GLN 43 HN GLN 43 13.730 -2.312 -0.411 325 HA GLN 43 HA GLN 43 15.332 -2.406 1.773 326 HB2 GLN 43 2HB GLN 43 15.134 -3.903 -0.709 327 HB3 GLN 43 3HB GLN 43 16.780 -3.887 -0.088 328 HG2 GLN 43 2HG GLN 43 15.076 -4.396 2.099 329 HG3 GLN 43 3HG GLN 43 14.549 -5.431 0.772 330 HE21 GLN 43 1HE2 GLN 43 15.393 -7.368 0.986 331 HE22 GLN 43 2HE2 GLN 43 17.015 -7.730 1.453 332 H ARG 44 HN ARG 44 16.306 -1.297 -1.454 333 HA ARG 44 HA ARG 44 18.717 -0.128 -0.227 334 HB2 ARG 44 2HB ARG 44 18.463 -0.861 -3.138 335 HB3 ARG 44 3HB ARG 44 19.924 -0.490 -2.234 336 HG2 ARG 44 2HG ARG 44 18.477 -2.761 -1.142 337 HG3 ARG 44 3HG ARG 44 18.973 -2.997 -2.819 338 HD2 ARG 44 2HD ARG 44 21.245 -1.998 -1.883 339 HD3 ARG 44 3HD ARG 44 20.619 -2.655 -0.373 340 HE ARG 44 HE ARG 44 21.556 -4.142 -2.668 341 HH11 ARG 44 1HH1 ARG 44 19.718 -4.208 0.287 342 HH12 ARG 44 2HH1 ARG 44 19.850 -5.925 0.485 343 HH21 ARG 44 1HH2 ARG 44 21.738 -6.402 -2.420 344 HH22 ARG 44 2HH2 ARG 44 21.000 -7.171 -1.056 345 H GLN 45 HN GLN 45 15.818 0.454 -1.904 346 HA GLN 45 HA GLN 45 16.697 3.160 -2.654 347 HB2 GLN 45 2HB GLN 45 14.908 1.210 -3.896 348 HB3 GLN 45 3HB GLN 45 14.198 2.814 -3.773 349 HG2 GLN 45 2HG GLN 45 15.290 2.579 -5.896 350 HG3 GLN 45 3HG GLN 45 16.165 3.750 -4.911 351 HE21 GLN 45 1HE2 GLN 45 16.225 0.597 -6.354 352 HE22 GLN 45 2HE2 GLN 45 17.908 0.292 -6.112 353 H GLN 46 HN GLN 46 14.766 4.769 -2.583 354 HA GLN 46 HA GLN 46 12.993 4.328 -0.322 355 HB2 GLN 46 2HB GLN 46 15.281 5.341 0.416 356 HB3 GLN 46 3HB GLN 46 14.656 6.823 -0.296 357 HG2 GLN 46 2HG GLN 46 13.081 7.105 1.320 358 HG3 GLN 46 3HG GLN 46 12.920 5.375 1.621 359 HE21 GLN 46 1HE2 GLN 46 13.781 4.633 3.420 360 HE22 GLN 46 2HE2 GLN 46 15.008 5.408 4.356 361 H THR 47 HN THR 47 12.427 4.574 -3.053 362 HA THR 47 HA THR 47 10.721 6.938 -2.990 363 HB THR 47 HB THR 47 11.604 6.858 -5.649 364 HG1 THR 47 1HG THR 47 13.963 7.434 -4.527 365 HG21 THR 47 1HG2 THR 47 12.117 9.102 -5.307 366 HG22 THR 47 2HG2 THR 47 12.656 8.829 -3.650 367 HG23 THR 47 3HG2 THR 47 10.936 8.780 -4.039 368 H CYS 48 HN CYS 48 8.829 6.723 -4.145 369 HA CYS 48 HA CYS 48 7.758 4.202 -4.519 370 HB2 CYS 48 2HB CYS 48 6.783 6.752 -4.625 371 HB3 CYS 48 3HB CYS 48 6.658 6.263 -6.311 372 HA PRO 49 HA PRO 49 9.543 2.754 -8.284 373 HB2 PRO 49 2HB PRO 49 7.731 0.814 -8.849 374 HB3 PRO 49 3HB PRO 49 8.943 0.653 -7.573 375 HG2 PRO 49 2HG PRO 49 6.055 1.408 -7.358 376 HG3 PRO 49 3HG PRO 49 7.004 0.314 -6.335 377 HD2 PRO 49 2HD PRO 49 6.439 2.861 -5.611 378 HD3 PRO 49 3HD PRO 49 7.942 2.044 -5.137 379 H THR 50 HN THR 50 6.835 4.609 -8.072 380 HA THR 50 HA THR 50 6.550 4.695 -10.994 381 HB THR 50 HB THR 50 4.626 3.444 -9.966 382 HG1 THR 50 1HG THR 50 3.230 5.508 -10.940 383 HG21 THR 50 1HG2 THR 50 2.978 4.620 -8.685 384 HG22 THR 50 2HG2 THR 50 3.846 6.144 -8.870 385 HG23 THR 50 3HG2 THR 50 4.536 4.849 -7.894 386 H CYS 51 HN CYS 51 5.707 6.342 -7.950 387 HA CYS 51 HA CYS 51 5.877 8.919 -9.338 388 HB2 CYS 51 2HB CYS 51 4.574 9.841 -7.632 389 HB3 CYS 51 3HB CYS 51 3.904 8.223 -7.812 390 H ARG 52 HN ARG 52 7.861 6.885 -7.683 391 HA ARG 52 HA ARG 52 9.679 7.151 -6.277 392 HB2 ARG 52 2HB ARG 52 9.981 8.827 -8.707 393 HB3 ARG 52 3HB ARG 52 11.162 9.076 -7.427 394 HG2 ARG 52 2HG ARG 52 10.986 6.313 -7.700 395 HG3 ARG 52 3HG ARG 52 10.952 6.940 -9.350 396 HD2 ARG 52 2HD ARG 52 12.953 8.025 -7.423 397 HD3 ARG 52 3HD ARG 52 13.229 6.439 -8.140 398 HE ARG 52 HE ARG 52 12.602 8.536 -10.027 399 HH11 ARG 52 1HH1 ARG 52 15.102 6.812 -8.324 400 HH12 ARG 52 2HH1 ARG 52 16.340 7.216 -9.468 401 HH21 ARG 52 1HH2 ARG 52 14.222 9.073 -11.539 402 HH22 ARG 52 2HH2 ARG 52 15.838 8.503 -11.296 403 H MET 53 HN MET 53 7.614 8.411 -5.035 404 HA MET 53 HA MET 53 8.727 10.990 -4.161 405 HB2 MET 53 2HB MET 53 6.401 10.999 -5.076 406 HB3 MET 53 3HB MET 53 5.921 9.948 -3.751 407 HG2 MET 53 2HG MET 53 6.835 11.782 -2.218 408 HG3 MET 53 3HG MET 53 6.800 12.807 -3.652 409 HE1 MET 53 1HE MET 53 4.079 10.490 -1.402 410 HE2 MET 53 2HE MET 53 5.300 11.573 -0.734 411 HE3 MET 53 3HE MET 53 3.605 12.061 -0.754 412 H ASP 54 HN ASP 54 9.834 10.904 -2.331 413 HA ASP 54 HA ASP 54 10.313 8.902 -0.640 414 HB2 ASP 54 2HB ASP 54 11.470 10.828 -0.090 415 HB3 ASP 54 3HB ASP 54 10.023 11.833 -0.129 416 H VAL 55 HN VAL 55 9.218 7.581 0.650 417 HA VAL 55 HA VAL 55 6.562 8.441 1.605 418 HB VAL 55 HB VAL 55 6.001 5.964 1.614 419 HG11 VAL 55 1HG1 VAL 55 4.844 6.475 -0.211 420 HG12 VAL 55 2HG1 VAL 55 5.865 7.900 -0.419 421 HG13 VAL 55 3HG1 VAL 55 6.298 6.381 -1.205 422 HG21 VAL 55 1HG2 VAL 55 7.314 4.653 -0.115 423 HG22 VAL 55 2HG2 VAL 55 8.549 5.905 0.016 424 HG23 VAL 55 3HG2 VAL 55 8.120 4.939 1.427 425 H LEU 56 HN LEU 56 9.402 6.439 2.290 426 HA LEU 56 HA LEU 56 8.598 5.842 4.970 427 HB2 LEU 56 2HB LEU 56 11.248 5.584 3.562 428 HB3 LEU 56 3HB LEU 56 10.938 5.012 5.199 429 HG LEU 56 HG LEU 56 9.927 3.926 2.596 430 HD11 LEU 56 1HD1 LEU 56 11.865 2.828 3.237 431 HD12 LEU 56 2HD1 LEU 56 10.594 1.793 3.886 432 HD13 LEU 56 3HD1 LEU 56 11.459 2.900 4.953 433 HD21 LEU 56 1HD2 LEU 56 7.900 3.987 3.717 434 HD22 LEU 56 2HD2 LEU 56 8.647 3.736 5.294 435 HD23 LEU 56 3HD2 LEU 56 8.532 2.399 4.150 Start of MODEL 7 1 H1 ALA 1 HN ALA 1 -3.908 -4.075 -0.039 2 HA ALA 1 HA ALA 1 -5.857 -2.373 -0.278 3 HB1 ALA 1 1HB ALA 1 -4.275 -1.871 -1.821 4 HB2 ALA 1 2HB ALA 1 -4.142 -3.535 -2.393 5 HB3 ALA 1 3HB ALA 1 -5.492 -2.527 -2.915 6 H THR 2 HN THR 2 -7.686 -2.023 -1.793 7 HA THR 2 HA THR 2 -9.344 -4.441 -1.906 8 HB THR 2 HB THR 2 -11.003 -3.166 -1.150 9 HG1 THR 2 1HG THR 2 -11.980 -1.938 -2.603 10 HG21 THR 2 1HG2 THR 2 -9.206 -0.754 -1.393 11 HG22 THR 2 2HG2 THR 2 -9.129 -1.911 -0.065 12 HG23 THR 2 3HG2 THR 2 -10.589 -0.955 -0.318 13 HA PRO 3 HA PRO 3 -9.579 -4.576 -6.286 14 HB2 PRO 3 2HB PRO 3 -12.218 -4.995 -6.763 15 HB3 PRO 3 3HB PRO 3 -11.156 -6.233 -6.079 16 HG2 PRO 3 2HG PRO 3 -13.081 -4.407 -4.690 17 HG3 PRO 3 3HG PRO 3 -12.787 -6.135 -4.424 18 HD2 PRO 3 2HD PRO 3 -11.743 -4.217 -2.824 19 HD3 PRO 3 3HD PRO 3 -10.905 -5.749 -3.150 20 H GLU 4 HN GLU 4 -11.657 -2.286 -4.658 21 HA GLU 4 HA GLU 4 -12.481 -0.877 -6.998 22 HB2 GLU 4 2HB GLU 4 -13.392 -0.904 -4.479 23 HB3 GLU 4 3HB GLU 4 -12.374 0.526 -4.381 24 HG2 GLU 4 2HG GLU 4 -13.737 0.970 -6.698 25 HG3 GLU 4 3HG GLU 4 -14.939 0.126 -5.723 26 H GLU 5 HN GLU 5 -10.000 -0.292 -4.523 27 HA GLU 5 HA GLU 5 -9.015 2.061 -5.845 28 HB2 GLU 5 2HB GLU 5 -8.100 0.440 -3.485 29 HB3 GLU 5 3HB GLU 5 -7.095 1.721 -4.146 30 HG2 GLU 5 2HG GLU 5 -9.857 1.996 -2.991 31 HG3 GLU 5 3HG GLU 5 -8.346 2.581 -2.299 32 H LEU 6 HN LEU 6 -8.395 -1.327 -6.000 33 HA LEU 6 HA LEU 6 -5.766 -1.143 -7.116 34 HB2 LEU 6 2HB LEU 6 -7.781 -3.315 -6.758 35 HB3 LEU 6 3HB LEU 6 -6.417 -3.572 -7.843 36 HG LEU 6 HG LEU 6 -6.064 -2.771 -4.965 37 HD11 LEU 6 1HD1 LEU 6 -5.803 -5.058 -4.371 38 HD12 LEU 6 2HD1 LEU 6 -5.966 -5.578 -6.048 39 HD13 LEU 6 3HD1 LEU 6 -7.356 -4.906 -5.195 40 HD21 LEU 6 1HD2 LEU 6 -3.971 -4.367 -5.963 41 HD22 LEU 6 2HD2 LEU 6 -3.929 -2.652 -5.553 42 HD23 LEU 6 3HD2 LEU 6 -4.320 -3.157 -7.198 43 H GLN 7 HN GLN 7 -8.989 -1.810 -8.467 44 HA GLN 7 HA GLN 7 -8.119 -1.977 -11.155 45 HB2 GLN 7 2HB GLN 7 -10.486 -2.448 -9.807 46 HB3 GLN 7 3HB GLN 7 -10.868 -1.051 -10.805 47 HG2 GLN 7 2HG GLN 7 -9.428 -3.021 -12.326 48 HG3 GLN 7 3HG GLN 7 -10.852 -3.730 -11.567 49 HE21 GLN 7 1HE2 GLN 7 -10.612 -3.502 -14.305 50 HE22 GLN 7 2HE2 GLN 7 -11.769 -2.357 -14.884 51 H ALA 8 HN ALA 8 -8.355 0.644 -9.080 52 HA ALA 8 HA ALA 8 -8.964 2.598 -11.149 53 HB1 ALA 8 1HB ALA 8 -8.878 4.244 -9.374 54 HB2 ALA 8 2HB ALA 8 -9.891 2.883 -8.888 55 HB3 ALA 8 3HB ALA 8 -8.253 3.036 -8.251 56 H MET 9 HN MET 9 -6.388 0.852 -10.759 57 HA MET 9 HA MET 9 -4.597 2.912 -11.712 58 HB2 MET 9 2HB MET 9 -2.842 2.473 -10.077 59 HB3 MET 9 3HB MET 9 -4.296 3.051 -9.275 60 HG2 MET 9 2HG MET 9 -4.489 1.199 -8.067 61 HG3 MET 9 3HG MET 9 -4.220 0.160 -9.465 62 HE1 MET 9 1HE MET 9 -2.259 -0.796 -10.215 63 HE2 MET 9 2HE MET 9 -1.109 0.526 -10.420 64 HE3 MET 9 3HE MET 9 -0.691 -0.858 -9.409 65 H ASP 10 HN ASP 10 -5.860 0.420 -12.667 66 HA ASP 10 HA ASP 10 -5.259 -1.204 -14.162 67 HB2 ASP 10 2HB ASP 10 -3.274 0.411 -14.572 68 HB3 ASP 10 3HB ASP 10 -2.352 -0.714 -13.579 69 H ASN 11 HN ASN 11 -4.572 -1.123 -10.931 70 HA ASN 11 HA ASN 11 -3.908 -2.664 -9.361 71 HB2 ASN 11 2HB ASN 11 -5.362 -4.492 -9.273 72 HB3 ASN 11 3HB ASN 11 -6.247 -3.334 -10.261 73 HD21 ASN 11 1HD2 ASN 11 -4.786 -6.411 -10.117 74 HD22 ASN 11 2HD2 ASN 11 -5.146 -6.912 -11.731 75 H VAL 12 HN VAL 12 -2.000 -2.354 -11.498 76 HA VAL 12 HA VAL 12 -0.848 -5.068 -11.548 77 HB VAL 12 HB VAL 12 -0.861 -2.922 -13.636 78 HG11 VAL 12 1HG1 VAL 12 0.992 -4.047 -14.791 79 HG12 VAL 12 2HG1 VAL 12 1.499 -3.355 -13.249 80 HG13 VAL 12 3HG1 VAL 12 1.221 -5.091 -13.388 81 HG21 VAL 12 1HG2 VAL 12 -2.110 -5.393 -13.321 82 HG22 VAL 12 2HG2 VAL 12 -2.052 -4.412 -14.785 83 HG23 VAL 12 3HG2 VAL 12 -0.846 -5.670 -14.519 84 H CYS 13 HN CYS 13 1.028 -5.319 -10.529 85 HA CYS 13 HA CYS 13 2.262 -3.197 -9.127 86 HB2 CYS 13 2HB CYS 13 2.370 -5.482 -8.302 87 HB3 CYS 13 3HB CYS 13 3.258 -5.986 -9.735 88 H ILE 14 HN ILE 14 3.433 -1.631 -10.001 89 HA ILE 14 HA ILE 14 4.535 -1.723 -12.597 90 HB ILE 14 HB ILE 14 3.912 0.334 -11.149 91 HG12 ILE 14 2HG1 ILE 14 4.732 0.570 -13.402 92 HG13 ILE 14 3HG1 ILE 14 5.585 1.727 -12.386 93 HG21 ILE 14 1HG2 ILE 14 6.787 -0.047 -10.326 94 HG22 ILE 14 2HG2 ILE 14 5.789 1.364 -9.980 95 HG23 ILE 14 3HG2 ILE 14 5.381 -0.198 -9.272 96 HD11 ILE 14 1HD1 ILE 14 6.590 -0.681 -13.783 97 HD12 ILE 14 2HD1 ILE 14 7.333 0.905 -13.568 98 HD13 ILE 14 3HD1 ILE 14 7.330 -0.253 -12.240 99 H ILE 15 HN ILE 15 6.024 -2.004 -9.385 100 HA ILE 15 HA ILE 15 8.652 -2.037 -9.799 101 HB ILE 15 HB ILE 15 7.185 -4.228 -8.325 102 HG12 ILE 15 2HG1 ILE 15 8.508 -1.913 -6.985 103 HG13 ILE 15 3HG1 ILE 15 6.956 -1.640 -7.769 104 HG21 ILE 15 1HG2 ILE 15 9.996 -3.789 -8.819 105 HG22 ILE 15 2HG2 ILE 15 9.632 -3.749 -7.095 106 HG23 ILE 15 3HG2 ILE 15 9.188 -5.158 -8.057 107 HD11 ILE 15 1HD1 ILE 15 7.601 -3.422 -5.455 108 HD12 ILE 15 2HD1 ILE 15 6.413 -2.123 -5.564 109 HD13 ILE 15 3HD1 ILE 15 6.135 -3.644 -6.411 110 H CYS 16 HN CYS 16 6.619 -4.884 -10.496 111 HA CYS 16 HA CYS 16 8.760 -5.865 -12.266 112 HB2 CYS 16 2HB CYS 16 7.742 -8.113 -11.952 113 HB3 CYS 16 3HB CYS 16 8.333 -7.409 -10.451 114 H ARG 17 HN ARG 17 5.832 -4.353 -12.313 115 HA ARG 17 HA ARG 17 4.173 -4.067 -13.849 116 HB2 ARG 17 2HB ARG 17 6.566 -4.722 -15.546 117 HB3 ARG 17 3HB ARG 17 5.003 -4.388 -16.279 118 HG2 ARG 17 2HG ARG 17 5.207 -2.267 -14.641 119 HG3 ARG 17 3HG ARG 17 6.914 -2.569 -14.974 120 HD2 ARG 17 2HD ARG 17 4.770 -2.255 -17.072 121 HD3 ARG 17 3HD ARG 17 5.875 -0.980 -16.560 122 HE ARG 17 HE ARG 17 6.440 -3.101 -18.371 123 HH11 ARG 17 1HH1 ARG 17 7.858 -1.072 -15.924 124 HH12 ARG 17 2HH1 ARG 17 9.463 -1.198 -16.565 125 HH21 ARG 17 1HH2 ARG 17 8.548 -3.275 -19.225 126 HH22 ARG 17 2HH2 ARG 17 9.854 -2.450 -18.443 127 H GLU 18 HN GLU 18 3.455 -6.200 -12.686 128 HA GLU 18 HA GLU 18 2.978 -8.220 -14.780 129 HB2 GLU 18 2HB GLU 18 3.453 -8.572 -11.825 130 HB3 GLU 18 3HB GLU 18 2.688 -9.818 -12.801 131 HG2 GLU 18 2HG GLU 18 5.491 -8.785 -12.930 132 HG3 GLU 18 3HG GLU 18 4.923 -10.442 -12.732 133 H GLU 19 HN GLU 19 1.517 -8.344 -11.627 134 HA GLU 19 HA GLU 19 -0.867 -6.942 -12.247 135 HB2 GLU 19 2HB GLU 19 -0.682 -9.621 -13.250 136 HB3 GLU 19 3HB GLU 19 -1.904 -9.566 -11.987 137 HG2 GLU 19 2HG GLU 19 -3.343 -8.489 -13.289 138 HG3 GLU 19 3HG GLU 19 -2.124 -7.330 -13.816 139 H MET 20 HN MET 20 -2.352 -6.914 -10.511 140 HA MET 20 HA MET 20 -1.435 -8.270 -8.065 141 HB2 MET 20 2HB MET 20 -2.039 -5.382 -8.524 142 HB3 MET 20 3HB MET 20 -2.431 -6.082 -6.960 143 HG2 MET 20 2HG MET 20 -0.144 -6.709 -6.602 144 HG3 MET 20 3HG MET 20 0.291 -6.203 -8.233 145 HE1 MET 20 1HE MET 20 0.260 -2.613 -8.396 146 HE2 MET 20 2HE MET 20 -0.622 -3.992 -9.053 147 HE3 MET 20 3HE MET 20 -1.436 -2.857 -7.974 148 H VAL 21 HN VAL 21 -2.980 -9.811 -7.903 149 HA VAL 21 HA VAL 21 -5.794 -9.009 -8.143 150 HB VAL 21 HB VAL 21 -6.170 -11.544 -7.979 151 HG11 VAL 21 1HG1 VAL 21 -4.619 -10.728 -10.413 152 HG12 VAL 21 2HG1 VAL 21 -6.040 -11.768 -10.299 153 HG13 VAL 21 3HG1 VAL 21 -6.197 -10.029 -10.051 154 HG21 VAL 21 1HG2 VAL 21 -4.313 -12.966 -8.576 155 HG22 VAL 21 2HG2 VAL 21 -3.237 -11.572 -8.688 156 HG23 VAL 21 3HG2 VAL 21 -3.901 -12.051 -7.125 157 H THR 22 HN THR 22 -3.397 -9.941 -5.858 158 HA THR 22 HA THR 22 -4.982 -9.277 -3.633 159 HB THR 22 HB THR 22 -6.105 -11.422 -4.147 160 HG1 THR 22 1HG THR 22 -6.297 -11.688 -2.054 161 HG21 THR 22 1HG2 THR 22 -4.953 -13.237 -4.732 162 HG22 THR 22 2HG2 THR 22 -4.087 -13.213 -3.196 163 HG23 THR 22 3HG2 THR 22 -3.459 -12.315 -4.577 164 H GLY 23 HN GLY 23 -3.869 -9.688 -1.566 165 HA2 GLY 23 1HA GLY 23 -1.991 -9.833 -0.239 166 HA3 GLY 23 2HA GLY 23 -1.215 -10.734 -1.533 167 H ALA 24 HN ALA 24 -2.431 -7.400 -1.171 168 HA ALA 24 HA ALA 24 0.263 -6.384 -1.627 169 HB1 ALA 24 1HB ALA 24 -0.235 -5.105 -3.520 170 HB2 ALA 24 2HB ALA 24 -0.965 -6.675 -3.852 171 HB3 ALA 24 3HB ALA 24 -1.974 -5.328 -3.326 172 H LYS 25 HN LYS 25 0.449 -4.073 -1.200 173 HA LYS 25 HA LYS 25 -1.577 -3.180 0.739 174 HB2 LYS 25 2HB LYS 25 1.176 -2.013 0.616 175 HB3 LYS 25 3HB LYS 25 0.087 -2.155 1.990 176 HG2 LYS 25 2HG LYS 25 1.515 -4.462 0.685 177 HG3 LYS 25 3HG LYS 25 2.052 -3.633 2.147 178 HD2 LYS 25 2HD LYS 25 -0.682 -4.355 2.474 179 HD3 LYS 25 3HD LYS 25 0.203 -5.772 1.906 180 HE2 LYS 25 2HE LYS 25 1.476 -5.900 3.789 181 HE3 LYS 25 3HE LYS 25 1.454 -4.158 4.054 182 HZ1 LYS 25 1HZ LYS 25 -0.372 -6.195 5.003 183 HZ2 LYS 25 2HZ LYS 25 -1.112 -4.778 4.450 184 HZ3 LYS 25 3HZ LYS 25 0.039 -4.704 5.688 185 H ARG 26 HN ARG 26 -1.298 -0.613 0.997 186 HA ARG 26 HA ARG 26 -1.331 0.571 -1.694 187 HB2 ARG 26 2HB ARG 26 -3.647 0.141 -0.885 188 HB3 ARG 26 3HB ARG 26 -3.322 1.181 0.495 189 HG2 ARG 26 2HG ARG 26 -2.711 2.932 -1.350 190 HG3 ARG 26 3HG ARG 26 -3.712 1.894 -2.368 191 HD2 ARG 26 2HD ARG 26 -5.001 3.726 -1.360 192 HD3 ARG 26 3HD ARG 26 -5.576 2.144 -0.838 193 HE ARG 26 HE ARG 26 -3.680 3.169 0.997 194 HH11 ARG 26 1HH1 ARG 26 -6.978 3.556 -0.048 195 HH12 ARG 26 2HH1 ARG 26 -7.531 4.152 1.482 196 HH21 ARG 26 1HH2 ARG 26 -4.395 3.953 3.017 197 HH22 ARG 26 2HH2 ARG 26 -6.061 4.378 3.225 198 H LEU 27 HN LEU 27 -0.024 2.264 -1.859 199 HA LEU 27 HA LEU 27 1.254 3.356 0.475 200 HB2 LEU 27 2HB LEU 27 1.466 3.977 -2.462 201 HB3 LEU 27 3HB LEU 27 2.387 4.832 -1.227 202 HG LEU 27 HG LEU 27 2.577 1.889 -1.865 203 HD11 LEU 27 1HD1 LEU 27 4.257 2.359 -3.251 204 HD12 LEU 27 2HD1 LEU 27 4.957 3.536 -2.142 205 HD13 LEU 27 3HD1 LEU 27 3.659 4.018 -3.234 206 HD21 LEU 27 1HD2 LEU 27 3.431 3.471 0.427 207 HD22 LEU 27 2HD2 LEU 27 4.757 2.602 -0.347 208 HD23 LEU 27 3HD2 LEU 27 3.340 1.721 0.226 209 HA PRO 28 HA PRO 28 -1.283 6.869 1.179 210 HB2 PRO 28 2HB PRO 28 0.556 8.671 2.044 211 HB3 PRO 28 3HB PRO 28 0.027 7.294 3.019 212 HG2 PRO 28 2HG PRO 28 2.497 7.598 1.354 213 HG3 PRO 28 3HG PRO 28 2.319 6.902 2.975 214 HD2 PRO 28 2HD PRO 28 2.509 5.375 0.748 215 HD3 PRO 28 3HD PRO 28 1.556 4.884 2.163 216 H CYS 29 HN CYS 29 0.770 6.671 -1.386 217 HA CYS 29 HA CYS 29 0.268 9.429 -2.276 218 HB2 CYS 29 2HB CYS 29 1.980 8.799 -4.079 219 HB3 CYS 29 3HB CYS 29 2.579 9.006 -2.435 220 H ASN 30 HN ASN 30 -1.102 6.477 -2.479 221 HA ASN 30 HA ASN 30 -2.886 5.797 -3.766 222 HB2 ASN 30 2HB ASN 30 -2.770 8.399 -4.493 223 HB3 ASN 30 3HB ASN 30 -2.348 7.637 -6.024 224 HD21 ASN 30 1HD2 ASN 30 -3.961 7.075 -7.287 225 HD22 ASN 30 2HD2 ASN 30 -5.598 6.826 -6.795 226 H HIS 31 HN HIS 31 -0.406 4.585 -3.821 227 HA HIS 31 HA HIS 31 -0.418 3.463 -6.520 228 HB2 HIS 31 2HB HIS 31 2.086 4.397 -5.102 229 HB3 HIS 31 3HB HIS 31 2.058 3.464 -6.597 230 HD2 HIS 31 2HD HIS 31 0.209 5.063 -8.539 231 HE1 HIS 31 1HE HIS 31 2.189 8.591 -7.257 232 HE2 HIS 31 2HE HIS 31 0.657 7.572 -8.978 233 H ILE 32 HN ILE 32 -0.922 1.402 -6.181 234 HA ILE 32 HA ILE 32 0.043 0.049 -3.775 235 HB ILE 32 HB ILE 32 -2.029 -0.739 -5.821 236 HG12 ILE 32 2HG1 ILE 32 -2.783 -0.659 -3.004 237 HG13 ILE 32 3HG1 ILE 32 -2.188 0.894 -3.580 238 HG21 ILE 32 1HG2 ILE 32 -2.267 -2.491 -3.707 239 HG22 ILE 32 2HG2 ILE 32 -1.571 -2.855 -5.285 240 HG23 ILE 32 3HG2 ILE 32 -0.525 -2.377 -3.948 241 HD11 ILE 32 1HD1 ILE 32 -3.845 0.337 -5.579 242 HD12 ILE 32 2HD1 ILE 32 -4.636 -0.589 -4.303 243 HD13 ILE 32 3HD1 ILE 32 -4.370 1.143 -4.101 244 H PHE 33 HN PHE 33 1.330 -1.756 -3.810 245 HA PHE 33 HA PHE 33 2.143 -2.909 -6.349 246 HB2 PHE 33 2HB PHE 33 4.211 -1.751 -4.471 247 HB3 PHE 33 3HB PHE 33 4.509 -2.536 -6.018 248 HD1 PHE 33 1HD PHE 33 3.904 0.546 -4.350 249 HD2 PHE 33 2HD PHE 33 3.548 -1.422 -8.108 250 HE1 PHE 33 1HE PHE 33 3.766 2.729 -5.477 251 HE2 PHE 33 2HE PHE 33 3.410 0.758 -9.240 252 HZ PHE 33 HZ PHE 33 3.520 2.837 -7.925 253 H HIS 34 HN HIS 34 3.254 -4.920 -6.127 254 HA HIS 34 HA HIS 34 2.273 -6.706 -4.345 255 HB2 HIS 34 2HB HIS 34 4.950 -6.646 -5.724 256 HB3 HIS 34 3HB HIS 34 4.457 -8.010 -4.723 257 HD2 HIS 34 2HD HIS 34 1.318 -8.137 -5.867 258 HE1 HIS 34 1HE HIS 34 3.258 -8.836 -9.575 259 HE2 HIS 34 2HE HIS 34 1.077 -8.924 -8.319 260 H THR 35 HN THR 35 2.542 -7.247 -2.264 261 HA THR 35 HA THR 35 3.862 -5.529 -0.478 262 HB THR 35 HB THR 35 3.050 -8.388 0.072 263 HG1 THR 35 1HG THR 35 1.026 -7.630 0.423 264 HG21 THR 35 1HG2 THR 35 3.469 -5.989 1.857 265 HG22 THR 35 2HG2 THR 35 4.400 -7.488 1.845 266 HG23 THR 35 3HG2 THR 35 2.720 -7.497 2.382 267 H SER 36 HN SER 36 5.032 -8.122 -2.371 268 HA SER 36 HA SER 36 7.357 -8.566 -0.664 269 HB2 SER 36 2HB SER 36 6.160 -10.477 -1.790 270 HB3 SER 36 3HB SER 36 6.735 -9.848 -3.334 271 HG SER 36 HG SER 36 8.579 -10.305 -1.272 272 H CYS 37 HN CYS 37 6.473 -7.117 -3.732 273 HA CYS 37 HA CYS 37 9.159 -6.650 -4.598 274 HB2 CYS 37 2HB CYS 37 6.534 -5.447 -5.498 275 HB3 CYS 37 3HB CYS 37 8.080 -5.175 -6.296 276 H LEU 38 HN LEU 38 6.921 -5.011 -2.539 277 HA LEU 38 HA LEU 38 8.175 -2.435 -2.705 278 HB2 LEU 38 2HB LEU 38 6.067 -3.669 -0.987 279 HB3 LEU 38 3HB LEU 38 6.800 -2.140 -0.505 280 HG LEU 38 HG LEU 38 5.241 -2.681 -3.031 281 HD11 LEU 38 1HD1 LEU 38 4.655 -1.226 -0.477 282 HD12 LEU 38 2HD1 LEU 38 3.695 -2.455 -1.302 283 HD13 LEU 38 3HD1 LEU 38 3.816 -0.830 -1.977 284 HD21 LEU 38 1HD2 LEU 38 5.651 0.069 -2.669 285 HD22 LEU 38 2HD2 LEU 38 6.312 -0.961 -3.938 286 HD23 LEU 38 3HD2 LEU 38 7.228 -0.691 -2.455 287 H ARG 39 HN ARG 39 8.140 -5.058 -0.306 288 HA ARG 39 HA ARG 39 9.900 -3.818 1.516 289 HB2 ARG 39 2HB ARG 39 9.255 -6.735 1.058 290 HB3 ARG 39 3HB ARG 39 10.217 -6.143 2.405 291 HG2 ARG 39 2HG ARG 39 8.186 -4.665 2.941 292 HG3 ARG 39 3HG ARG 39 7.302 -5.743 1.860 293 HD2 ARG 39 2HD ARG 39 7.336 -7.449 3.329 294 HD3 ARG 39 3HD ARG 39 8.981 -7.094 3.856 295 HE ARG 39 HE ARG 39 7.491 -5.078 4.920 296 HH11 ARG 39 1HH1 ARG 39 7.340 -8.555 5.038 297 HH12 ARG 39 2HH1 ARG 39 6.637 -8.601 6.620 298 HH21 ARG 39 1HH2 ARG 39 6.566 -5.127 7.004 299 HH22 ARG 39 2HH2 ARG 39 6.196 -6.651 7.738 300 H SER 40 HN SER 40 10.420 -5.562 -1.429 301 HA SER 40 HA SER 40 13.271 -5.881 -0.888 302 HB2 SER 40 2HB SER 40 11.665 -6.716 -3.316 303 HB3 SER 40 3HB SER 40 13.336 -7.162 -2.969 304 HG SER 40 HG SER 40 11.205 -7.768 -1.209 305 H TRP 41 HN TRP 41 11.100 -3.775 -2.498 306 HA TRP 41 HA TRP 41 13.110 -2.684 -4.284 307 HB2 TRP 41 2HB TRP 41 10.958 -2.697 -5.240 308 HB3 TRP 41 3HB TRP 41 10.208 -2.075 -3.773 309 HD1 TRP 41 1HD TRP 41 10.578 0.583 -3.258 310 HE1 TRP 41 1HE TRP 41 10.960 2.550 -4.873 311 HE3 TRP 41 3HE TRP 41 12.000 -2.041 -7.409 312 HZ2 TRP 41 2HZ TRP 41 11.758 2.938 -7.553 313 HZ3 TRP 41 3HZ TRP 41 12.556 -0.796 -9.458 314 HH2 TRP 41 2HH TRP 41 12.436 1.641 -9.526 315 H PHE 42 HN PHE 42 11.149 -1.491 -1.557 316 HA PHE 42 HA PHE 42 12.484 0.995 -1.357 317 HB2 PHE 42 2HB PHE 42 10.768 -0.561 0.573 318 HB3 PHE 42 3HB PHE 42 11.439 1.017 0.969 319 HD1 PHE 42 1HD PHE 42 11.124 2.600 -1.373 320 HD2 PHE 42 2HD PHE 42 8.514 -0.372 0.198 321 HE1 PHE 42 1HE PHE 42 9.219 3.691 -2.485 322 HE2 PHE 42 2HE PHE 42 6.606 0.714 -0.910 323 HZ PHE 42 HZ PHE 42 6.955 2.747 -2.255 324 H GLN 43 HN GLN 43 13.538 -2.093 -0.660 325 HA GLN 43 HA GLN 43 14.955 -1.881 1.710 326 HB2 GLN 43 2HB GLN 43 15.135 -3.543 -0.719 327 HB3 GLN 43 3HB GLN 43 16.623 -3.425 0.211 328 HG2 GLN 43 2HG GLN 43 14.395 -3.903 1.956 329 HG3 GLN 43 3HG GLN 43 14.447 -5.111 0.674 330 HE21 GLN 43 1HE2 GLN 43 14.856 -5.755 3.331 331 HE22 GLN 43 2HE2 GLN 43 16.497 -6.249 3.548 332 H ARG 44 HN ARG 44 15.963 -0.972 -1.568 333 HA ARG 44 HA ARG 44 18.122 0.625 -0.361 334 HB2 ARG 44 2HB ARG 44 18.266 -0.832 -3.006 335 HB3 ARG 44 3HB ARG 44 19.543 0.129 -2.272 336 HG2 ARG 44 2HG ARG 44 19.652 -1.468 -0.409 337 HG3 ARG 44 3HG ARG 44 18.409 -2.443 -1.195 338 HD2 ARG 44 2HD ARG 44 19.971 -2.523 -3.204 339 HD3 ARG 44 3HD ARG 44 21.211 -1.883 -2.127 340 HE ARG 44 HE ARG 44 20.187 -4.064 -0.821 341 HH11 ARG 44 1HH1 ARG 44 21.681 -3.481 -3.912 342 HH12 ARG 44 2HH1 ARG 44 22.378 -5.063 -4.020 343 HH21 ARG 44 1HH2 ARG 44 21.099 -6.150 -0.952 344 HH22 ARG 44 2HH2 ARG 44 22.045 -6.582 -2.337 345 H GLN 45 HN GLN 45 15.351 0.574 -2.250 346 HA GLN 45 HA GLN 45 15.987 2.732 -4.024 347 HB2 GLN 45 2HB GLN 45 13.367 1.458 -3.232 348 HB3 GLN 45 3HB GLN 45 13.498 2.747 -4.421 349 HG2 GLN 45 2HG GLN 45 13.548 0.101 -4.991 350 HG3 GLN 45 3HG GLN 45 14.219 1.367 -6.018 351 HE21 GLN 45 1HE2 GLN 45 16.434 1.639 -6.131 352 HE22 GLN 45 2HE2 GLN 45 17.547 0.462 -5.533 353 H GLN 46 HN GLN 46 13.356 2.660 -1.636 354 HA GLN 46 HA GLN 46 12.831 4.135 0.051 355 HB2 GLN 46 2HB GLN 46 15.451 4.547 -0.028 356 HB3 GLN 46 3HB GLN 46 14.953 6.074 -0.742 357 HG2 GLN 46 2HG GLN 46 13.310 5.783 1.473 358 HG3 GLN 46 3HG GLN 46 14.889 5.213 2.012 359 HE21 GLN 46 1HE2 GLN 46 12.960 7.866 1.676 360 HE22 GLN 46 2HE2 GLN 46 14.164 9.103 1.736 361 H THR 47 HN THR 47 12.181 4.247 -2.910 362 HA THR 47 HA THR 47 10.624 6.674 -2.773 363 HB THR 47 HB THR 47 11.625 6.982 -5.321 364 HG1 THR 47 1HG THR 47 13.860 6.611 -3.600 365 HG21 THR 47 1HG2 THR 47 13.080 8.800 -3.950 366 HG22 THR 47 2HG2 THR 47 11.888 8.360 -2.726 367 HG23 THR 47 3HG2 THR 47 11.360 8.977 -4.291 368 H CYS 48 HN CYS 48 8.693 6.315 -3.659 369 HA CYS 48 HA CYS 48 7.651 4.012 -4.495 370 HB2 CYS 48 2HB CYS 48 6.725 6.554 -4.476 371 HB3 CYS 48 3HB CYS 48 6.805 6.269 -6.212 372 HA PRO 49 HA PRO 49 9.730 2.740 -8.174 373 HB2 PRO 49 2HB PRO 49 7.955 0.848 -8.973 374 HB3 PRO 49 3HB PRO 49 9.066 0.610 -7.620 375 HG2 PRO 49 2HG PRO 49 6.174 1.382 -7.583 376 HG3 PRO 49 3HG PRO 49 7.038 0.227 -6.550 377 HD2 PRO 49 2HD PRO 49 6.434 2.739 -5.739 378 HD3 PRO 49 3HD PRO 49 7.893 1.886 -5.197 379 H THR 50 HN THR 50 7.026 4.608 -8.069 380 HA THR 50 HA THR 50 6.970 4.856 -10.995 381 HB THR 50 HB THR 50 4.978 3.551 -10.262 382 HG1 THR 50 1HG THR 50 3.921 4.532 -11.819 383 HG21 THR 50 1HG2 THR 50 3.259 4.539 -8.942 384 HG22 THR 50 2HG2 THR 50 4.072 6.104 -8.940 385 HG23 THR 50 3HG2 THR 50 4.766 4.748 -8.051 386 H CYS 51 HN CYS 51 5.843 6.326 -7.950 387 HA CYS 51 HA CYS 51 6.091 8.978 -9.162 388 HB2 CYS 51 2HB CYS 51 4.642 9.769 -7.540 389 HB3 CYS 51 3HB CYS 51 4.073 8.113 -7.728 390 H ARG 52 HN ARG 52 8.019 6.870 -7.540 391 HA ARG 52 HA ARG 52 9.757 7.071 -6.023 392 HB2 ARG 52 2HB ARG 52 10.299 9.260 -8.038 393 HB3 ARG 52 3HB ARG 52 11.495 8.613 -6.922 394 HG2 ARG 52 2HG ARG 52 11.955 7.442 -8.843 395 HG3 ARG 52 3HG ARG 52 10.876 6.331 -7.996 396 HD2 ARG 52 2HD ARG 52 8.983 7.294 -9.311 397 HD3 ARG 52 3HD ARG 52 10.167 8.212 -10.241 398 HE ARG 52 HE ARG 52 9.495 5.477 -10.580 399 HH11 ARG 52 1HH1 ARG 52 12.170 7.701 -10.713 400 HH12 ARG 52 2HH1 ARG 52 13.062 6.763 -11.863 401 HH21 ARG 52 1HH2 ARG 52 10.660 4.233 -12.096 402 HH22 ARG 52 2HH2 ARG 52 12.203 4.790 -12.650 403 H MET 53 HN MET 53 8.005 7.956 -4.461 404 HA MET 53 HA MET 53 8.852 10.635 -3.570 405 HB2 MET 53 2HB MET 53 6.521 10.605 -4.383 406 HB3 MET 53 3HB MET 53 6.137 9.352 -3.210 407 HG2 MET 53 2HG MET 53 6.973 11.050 -1.460 408 HG3 MET 53 3HG MET 53 6.767 12.236 -2.748 409 HE1 MET 53 1HE MET 53 4.691 9.307 -0.820 410 HE2 MET 53 2HE MET 53 5.376 10.613 0.146 411 HE3 MET 53 3HE MET 53 3.629 10.488 -0.054 412 H ASP 54 HN ASP 54 9.893 10.640 -1.699 413 HA ASP 54 HA ASP 54 10.600 8.527 -0.165 414 HB2 ASP 54 2HB ASP 54 11.612 10.638 0.268 415 HB3 ASP 54 3HB ASP 54 10.065 11.373 0.680 416 H VAL 55 HN VAL 55 9.523 7.039 0.931 417 HA VAL 55 HA VAL 55 7.073 7.815 2.358 418 HB VAL 55 HB VAL 55 6.120 5.556 1.756 419 HG11 VAL 55 1HG1 VAL 55 6.310 7.954 0.134 420 HG12 VAL 55 2HG1 VAL 55 5.959 6.519 -0.831 421 HG13 VAL 55 3HG1 VAL 55 4.906 6.957 0.516 422 HG21 VAL 55 1HG2 VAL 55 8.533 5.587 -0.008 423 HG22 VAL 55 2HG2 VAL 55 7.868 4.269 0.959 424 HG23 VAL 55 3HG2 VAL 55 7.067 4.758 -0.534 425 H LEU 56 HN LEU 56 9.570 5.328 1.933 426 HA LEU 56 HA LEU 56 10.348 3.720 3.380 427 HB2 LEU 56 2HB LEU 56 11.035 6.281 4.152 428 HB3 LEU 56 3HB LEU 56 10.466 5.540 5.647 429 HG LEU 56 HG LEU 56 12.667 4.456 3.889 430 HD11 LEU 56 1HD1 LEU 56 12.658 6.202 6.309 431 HD12 LEU 56 2HD1 LEU 56 13.648 6.300 4.855 432 HD13 LEU 56 3HD1 LEU 56 13.976 5.057 6.061 433 HD21 LEU 56 1HD2 LEU 56 11.058 3.144 5.747 434 HD22 LEU 56 2HD2 LEU 56 12.559 3.491 6.607 435 HD23 LEU 56 3HD2 LEU 56 12.598 2.588 5.091 Start of MODEL 8 1 H1 ALA 1 HN ALA 1 -4.787 -3.850 0.396 2 HA ALA 1 HA ALA 1 -6.117 -2.181 -0.692 3 HB1 ALA 1 1HB ALA 1 -4.984 -4.047 -2.773 4 HB2 ALA 1 2HB ALA 1 -5.452 -2.368 -3.044 5 HB3 ALA 1 3HB ALA 1 -4.118 -2.746 -1.955 6 H THR 2 HN THR 2 -8.087 -1.678 -1.456 7 HA THR 2 HA THR 2 -10.084 -3.696 -1.633 8 HB THR 2 HB THR 2 -11.330 -1.539 -2.695 9 HG1 THR 2 1HG THR 2 -9.621 -0.281 -0.864 10 HG21 THR 2 1HG2 THR 2 -10.721 -1.847 0.247 11 HG22 THR 2 2HG2 THR 2 -11.914 -2.805 -0.631 12 HG23 THR 2 3HG2 THR 2 -12.127 -1.062 -0.470 13 HA PRO 3 HA PRO 3 -10.119 -4.714 -5.903 14 HB2 PRO 3 2HB PRO 3 -12.776 -4.990 -6.386 15 HB3 PRO 3 3HB PRO 3 -11.847 -6.154 -5.435 16 HG2 PRO 3 2HG PRO 3 -13.621 -3.931 -4.501 17 HG3 PRO 3 3HG PRO 3 -13.494 -5.592 -3.891 18 HD2 PRO 3 2HD PRO 3 -12.308 -3.492 -2.659 19 HD3 PRO 3 3HD PRO 3 -11.609 -5.125 -2.650 20 H GLU 4 HN GLU 4 -12.022 -1.982 -4.834 21 HA GLU 4 HA GLU 4 -12.534 -0.999 -7.492 22 HB2 GLU 4 2HB GLU 4 -13.743 -0.583 -5.098 23 HB3 GLU 4 3HB GLU 4 -12.755 0.867 -5.214 24 HG2 GLU 4 2HG GLU 4 -13.751 1.198 -7.515 25 HG3 GLU 4 3HG GLU 4 -14.902 -0.067 -7.090 26 H GLU 5 HN GLU 5 -10.374 -0.137 -4.814 27 HA GLU 5 HA GLU 5 -9.167 2.063 -6.143 28 HB2 GLU 5 2HB GLU 5 -8.382 0.395 -3.764 29 HB3 GLU 5 3HB GLU 5 -7.339 1.669 -4.378 30 HG2 GLU 5 2HG GLU 5 -10.172 2.344 -3.821 31 HG3 GLU 5 3HG GLU 5 -9.090 2.095 -2.452 32 H LEU 6 HN LEU 6 -8.551 -1.371 -6.087 33 HA LEU 6 HA LEU 6 -5.937 -1.250 -7.217 34 HB2 LEU 6 2HB LEU 6 -7.928 -3.350 -6.615 35 HB3 LEU 6 3HB LEU 6 -6.745 -3.722 -7.867 36 HG LEU 6 HG LEU 6 -5.943 -2.798 -5.119 37 HD11 LEU 6 1HD1 LEU 6 -5.686 -5.072 -4.447 38 HD12 LEU 6 2HD1 LEU 6 -6.154 -5.656 -6.044 39 HD13 LEU 6 3HD1 LEU 6 -7.344 -4.862 -5.011 40 HD21 LEU 6 1HD2 LEU 6 -4.513 -4.227 -7.355 41 HD22 LEU 6 2HD2 LEU 6 -3.840 -3.960 -5.745 42 HD23 LEU 6 3HD2 LEU 6 -4.223 -2.584 -6.782 43 H GLN 7 HN GLN 7 -9.160 -1.914 -8.557 44 HA GLN 7 HA GLN 7 -8.222 -2.190 -11.236 45 HB2 GLN 7 2HB GLN 7 -10.698 -2.493 -9.836 46 HB3 GLN 7 3HB GLN 7 -10.965 -1.463 -11.236 47 HG2 GLN 7 2HG GLN 7 -9.349 -3.668 -12.024 48 HG3 GLN 7 3HG GLN 7 -10.747 -4.273 -11.138 49 HE21 GLN 7 1HE2 GLN 7 -9.939 -4.291 -14.034 50 HE22 GLN 7 2HE2 GLN 7 -11.322 -3.679 -14.870 51 H ALA 8 HN ALA 8 -8.386 0.458 -9.293 52 HA ALA 8 HA ALA 8 -9.120 2.316 -11.438 53 HB1 ALA 8 1HB ALA 8 -9.973 2.416 -8.966 54 HB2 ALA 8 2HB ALA 8 -8.429 3.221 -8.682 55 HB3 ALA 8 3HB ALA 8 -9.576 3.899 -9.837 56 H MET 9 HN MET 9 -6.497 0.720 -10.935 57 HA MET 9 HA MET 9 -4.762 2.845 -11.834 58 HB2 MET 9 2HB MET 9 -3.079 2.578 -10.110 59 HB3 MET 9 3HB MET 9 -4.609 3.033 -9.372 60 HG2 MET 9 2HG MET 9 -4.710 1.164 -8.170 61 HG3 MET 9 3HG MET 9 -4.254 0.155 -9.541 62 HE1 MET 9 1HE MET 9 -0.702 -0.667 -9.112 63 HE2 MET 9 2HE MET 9 -2.269 -0.926 -9.879 64 HE3 MET 9 3HE MET 9 -1.273 0.452 -10.351 65 H ASP 10 HN ASP 10 -5.852 0.267 -12.776 66 HA ASP 10 HA ASP 10 -5.065 -1.308 -14.250 67 HB2 ASP 10 2HB ASP 10 -2.986 0.362 -14.258 68 HB3 ASP 10 3HB ASP 10 -2.225 -0.984 -13.415 69 H ASN 11 HN ASN 11 -4.518 -1.179 -10.937 70 HA ASN 11 HA ASN 11 -4.038 -2.731 -9.322 71 HB2 ASN 11 2HB ASN 11 -5.565 -4.482 -9.291 72 HB3 ASN 11 3HB ASN 11 -6.330 -3.360 -10.412 73 HD21 ASN 11 1HD2 ASN 11 -4.902 -6.441 -9.994 74 HD22 ASN 11 2HD2 ASN 11 -5.148 -7.023 -11.602 75 H VAL 12 HN VAL 12 -2.042 -2.506 -11.446 76 HA VAL 12 HA VAL 12 -0.908 -5.225 -11.300 77 HB VAL 12 HB VAL 12 -0.875 -3.230 -13.531 78 HG11 VAL 12 1HG1 VAL 12 1.358 -3.477 -13.678 79 HG12 VAL 12 2HG1 VAL 12 1.368 -4.929 -12.677 80 HG13 VAL 12 3HG1 VAL 12 0.946 -5.039 -14.386 81 HG21 VAL 12 1HG2 VAL 12 -2.381 -5.356 -13.241 82 HG22 VAL 12 2HG2 VAL 12 -1.703 -4.946 -14.816 83 HG23 VAL 12 3HG2 VAL 12 -0.946 -6.196 -13.828 84 H CYS 13 HN CYS 13 0.991 -5.423 -10.299 85 HA CYS 13 HA CYS 13 2.185 -3.250 -8.952 86 HB2 CYS 13 2HB CYS 13 2.368 -5.502 -8.075 87 HB3 CYS 13 3HB CYS 13 3.228 -6.032 -9.517 88 H ILE 14 HN ILE 14 3.300 -1.666 -9.866 89 HA ILE 14 HA ILE 14 4.403 -1.777 -12.461 90 HB ILE 14 HB ILE 14 3.717 0.289 -11.049 91 HG12 ILE 14 2HG1 ILE 14 4.515 0.504 -13.312 92 HG13 ILE 14 3HG1 ILE 14 5.339 1.709 -12.327 93 HG21 ILE 14 1HG2 ILE 14 5.564 1.401 -9.910 94 HG22 ILE 14 2HG2 ILE 14 5.218 -0.163 -9.173 95 HG23 ILE 14 3HG2 ILE 14 6.611 0.020 -10.241 96 HD11 ILE 14 1HD1 ILE 14 7.091 0.909 -13.530 97 HD12 ILE 14 2HD1 ILE 14 7.155 -0.192 -12.153 98 HD13 ILE 14 3HD1 ILE 14 6.408 -0.710 -13.664 99 H ILE 15 HN ILE 15 5.909 -1.931 -9.247 100 HA ILE 15 HA ILE 15 8.535 -1.898 -9.672 101 HB ILE 15 HB ILE 15 7.141 -4.091 -8.131 102 HG12 ILE 15 2HG1 ILE 15 8.392 -1.707 -6.848 103 HG13 ILE 15 3HG1 ILE 15 6.841 -1.488 -7.652 104 HG21 ILE 15 1HG2 ILE 15 9.544 -3.552 -6.892 105 HG22 ILE 15 2HG2 ILE 15 9.189 -4.947 -7.910 106 HG23 ILE 15 3HG2 ILE 15 9.950 -3.518 -8.607 107 HD11 ILE 15 1HD1 ILE 15 6.271 -1.933 -5.452 108 HD12 ILE 15 2HD1 ILE 15 6.069 -3.493 -6.249 109 HD13 ILE 15 3HD1 ILE 15 7.508 -3.177 -5.279 110 H CYS 16 HN CYS 16 6.562 -4.794 -10.319 111 HA CYS 16 HA CYS 16 8.723 -5.758 -12.076 112 HB2 CYS 16 2HB CYS 16 7.912 -8.030 -11.648 113 HB3 CYS 16 3HB CYS 16 8.338 -7.223 -10.142 114 H ARG 17 HN ARG 17 5.824 -4.282 -12.175 115 HA ARG 17 HA ARG 17 4.094 -4.140 -13.661 116 HB2 ARG 17 2HB ARG 17 6.480 -4.770 -15.377 117 HB3 ARG 17 3HB ARG 17 4.894 -4.518 -16.094 118 HG2 ARG 17 2HG ARG 17 5.056 -2.336 -14.524 119 HG3 ARG 17 3HG ARG 17 6.762 -2.587 -14.903 120 HD2 ARG 17 2HD ARG 17 4.920 -2.829 -17.182 121 HD3 ARG 17 3HD ARG 17 5.021 -1.220 -16.470 122 HE ARG 17 HE ARG 17 7.165 -1.026 -17.271 123 HH11 ARG 17 1HH1 ARG 17 6.109 -4.333 -17.543 124 HH12 ARG 17 2HH1 ARG 17 7.466 -4.824 -18.502 125 HH21 ARG 17 1HH2 ARG 17 8.956 -1.661 -18.534 126 HH22 ARG 17 2HH2 ARG 17 9.084 -3.304 -19.064 127 H GLU 18 HN GLU 18 3.548 -6.298 -12.387 128 HA GLU 18 HA GLU 18 3.133 -8.419 -14.390 129 HB2 GLU 18 2HB GLU 18 3.483 -8.573 -11.401 130 HB3 GLU 18 3HB GLU 18 2.827 -9.906 -12.340 131 HG2 GLU 18 2HG GLU 18 5.555 -8.673 -12.635 132 HG3 GLU 18 3HG GLU 18 5.177 -10.249 -11.942 133 H GLU 19 HN GLU 19 1.556 -8.386 -11.292 134 HA GLU 19 HA GLU 19 -0.831 -7.081 -12.038 135 HB2 GLU 19 2HB GLU 19 -0.568 -9.677 -13.112 136 HB3 GLU 19 3HB GLU 19 -1.714 -9.807 -11.785 137 HG2 GLU 19 2HG GLU 19 -3.297 -9.026 -13.108 138 HG3 GLU 19 3HG GLU 19 -2.421 -7.500 -13.225 139 H MET 20 HN MET 20 -2.320 -6.969 -10.345 140 HA MET 20 HA MET 20 -1.524 -8.331 -7.859 141 HB2 MET 20 2HB MET 20 -2.114 -5.440 -8.352 142 HB3 MET 20 3HB MET 20 -2.501 -6.140 -6.785 143 HG2 MET 20 2HG MET 20 -0.232 -6.701 -6.380 144 HG3 MET 20 3HG MET 20 0.223 -6.318 -8.039 145 HE1 MET 20 1HE MET 20 -0.785 -4.077 -8.973 146 HE2 MET 20 2HE MET 20 -1.749 -3.116 -7.852 147 HE3 MET 20 3HE MET 20 -0.133 -2.580 -8.310 148 H VAL 21 HN VAL 21 -3.086 -9.798 -7.553 149 HA VAL 21 HA VAL 21 -5.858 -9.141 -8.176 150 HB VAL 21 HB VAL 21 -6.163 -11.593 -7.331 151 HG11 VAL 21 1HG1 VAL 21 -5.398 -12.417 -9.609 152 HG12 VAL 21 2HG1 VAL 21 -6.558 -11.087 -9.598 153 HG13 VAL 21 3HG1 VAL 21 -4.852 -10.767 -9.907 154 HG21 VAL 21 1HG2 VAL 21 -3.299 -11.838 -8.160 155 HG22 VAL 21 2HG2 VAL 21 -3.715 -11.515 -6.478 156 HG23 VAL 21 3HG2 VAL 21 -4.305 -12.977 -7.266 157 H THR 22 HN THR 22 -3.743 -9.396 -5.470 158 HA THR 22 HA THR 22 -5.446 -8.172 -3.663 159 HB THR 22 HB THR 22 -6.896 -10.074 -3.686 160 HG1 THR 22 1HG THR 22 -5.225 -10.260 -1.381 161 HG21 THR 22 1HG2 THR 22 -4.555 -11.531 -4.195 162 HG22 THR 22 2HG2 THR 22 -6.199 -12.158 -4.068 163 HG23 THR 22 3HG2 THR 22 -5.156 -12.120 -2.646 164 H GLY 23 HN GLY 23 -2.790 -10.333 -4.266 165 HA2 GLY 23 1HA GLY 23 -1.617 -10.111 -1.658 166 HA3 GLY 23 2HA GLY 23 -0.845 -10.759 -3.097 167 H ALA 24 HN ALA 24 -2.152 -7.555 -2.244 168 HA ALA 24 HA ALA 24 0.501 -6.394 -2.369 169 HB1 ALA 24 1HB ALA 24 0.335 -5.900 -4.546 170 HB2 ALA 24 2HB ALA 24 -1.404 -6.196 -4.578 171 HB3 ALA 24 3HB ALA 24 -0.784 -4.642 -4.021 172 H LYS 25 HN LYS 25 0.569 -4.200 -1.612 173 HA LYS 25 HA LYS 25 -1.756 -3.523 0.061 174 HB2 LYS 25 2HB LYS 25 1.022 -2.454 0.489 175 HB3 LYS 25 3HB LYS 25 -0.302 -2.568 1.643 176 HG2 LYS 25 2HG LYS 25 1.274 -4.874 0.518 177 HG3 LYS 25 3HG LYS 25 1.426 -4.194 2.140 178 HD2 LYS 25 2HD LYS 25 -1.309 -4.787 1.730 179 HD3 LYS 25 3HD LYS 25 -0.384 -6.190 1.191 180 HE2 LYS 25 2HE LYS 25 0.539 -6.546 3.284 181 HE3 LYS 25 3HE LYS 25 0.271 -4.882 3.798 182 HZ1 LYS 25 1HZ LYS 25 -2.004 -5.287 4.119 183 HZ2 LYS 25 2HZ LYS 25 -1.226 -6.623 4.803 184 HZ3 LYS 25 3HZ LYS 25 -1.961 -6.758 3.286 185 H ARG 26 HN ARG 26 -1.524 -0.999 0.664 186 HA ARG 26 HA ARG 26 -1.338 0.431 -1.906 187 HB2 ARG 26 2HB ARG 26 -3.662 0.200 -1.178 188 HB3 ARG 26 3HB ARG 26 -3.259 0.918 0.376 189 HG2 ARG 26 2HG ARG 26 -2.795 3.031 -0.648 190 HG3 ARG 26 3HG ARG 26 -2.971 2.337 -2.261 191 HD2 ARG 26 2HD ARG 26 -4.976 3.544 -1.708 192 HD3 ARG 26 3HD ARG 26 -5.334 1.817 -1.729 193 HE ARG 26 HE ARG 26 -4.671 2.867 0.874 194 HH11 ARG 26 1HH1 ARG 26 -7.206 2.237 -1.428 195 HH12 ARG 26 2HH1 ARG 26 -8.460 2.201 -0.232 196 HH21 ARG 26 1HH2 ARG 26 -6.314 2.823 2.455 197 HH22 ARG 26 2HH2 ARG 26 -7.952 2.536 1.976 198 H LEU 27 HN LEU 27 -0.387 2.442 -1.931 199 HA LEU 27 HA LEU 27 1.198 3.098 0.440 200 HB2 LEU 27 2HB LEU 27 1.409 3.911 -2.448 201 HB3 LEU 27 3HB LEU 27 2.385 4.640 -1.175 202 HG LEU 27 HG LEU 27 2.426 1.740 -2.010 203 HD11 LEU 27 1HD1 LEU 27 4.668 3.715 -2.238 204 HD12 LEU 27 2HD1 LEU 27 3.468 3.535 -3.518 205 HD13 LEU 27 3HD1 LEU 27 4.468 2.160 -3.047 206 HD21 LEU 27 1HD2 LEU 27 3.458 3.161 0.345 207 HD22 LEU 27 2HD2 LEU 27 4.630 2.133 -0.482 208 HD23 LEU 27 3HD2 LEU 27 3.115 1.446 0.109 209 HA PRO 28 HA PRO 28 -1.117 6.689 1.451 210 HB2 PRO 28 2HB PRO 28 0.837 8.308 2.417 211 HB3 PRO 28 3HB PRO 28 0.239 6.894 3.295 212 HG2 PRO 28 2HG PRO 28 2.700 7.181 1.614 213 HG3 PRO 28 3HG PRO 28 2.503 6.376 3.181 214 HD2 PRO 28 2HD PRO 28 2.574 5.013 0.842 215 HD3 PRO 28 3HD PRO 28 1.613 4.472 2.233 216 H CYS 29 HN CYS 29 0.891 6.569 -1.156 217 HA CYS 29 HA CYS 29 0.485 9.403 -1.840 218 HB2 CYS 29 2HB CYS 29 2.223 8.875 -3.653 219 HB3 CYS 29 3HB CYS 29 2.793 8.959 -1.989 220 H ASN 30 HN ASN 30 -0.992 6.556 -2.239 221 HA ASN 30 HA ASN 30 -2.762 6.020 -3.609 222 HB2 ASN 30 2HB ASN 30 -2.578 8.615 -4.190 223 HB3 ASN 30 3HB ASN 30 -1.996 7.974 -5.724 224 HD21 ASN 30 1HD2 ASN 30 -3.910 8.988 -6.595 225 HD22 ASN 30 2HD2 ASN 30 -5.419 8.150 -6.531 226 H HIS 31 HN HIS 31 -0.615 4.481 -3.626 227 HA HIS 31 HA HIS 31 -0.518 3.525 -6.360 228 HB2 HIS 31 2HB HIS 31 2.012 4.261 -4.872 229 HB3 HIS 31 3HB HIS 31 1.950 3.390 -6.402 230 HD2 HIS 31 2HD HIS 31 0.297 5.151 -8.343 231 HE1 HIS 31 1HE HIS 31 2.357 8.536 -6.828 232 HE2 HIS 31 2HE HIS 31 0.868 7.654 -8.658 233 H ILE 32 HN ILE 32 -0.976 1.440 -6.208 234 HA ILE 32 HA ILE 32 -0.261 -0.013 -3.767 235 HB ILE 32 HB ILE 32 -2.240 -0.567 -5.962 236 HG12 ILE 32 2HG1 ILE 32 -3.026 -0.868 -3.159 237 HG13 ILE 32 3HG1 ILE 32 -2.443 0.748 -3.543 238 HG21 ILE 32 1HG2 ILE 32 -2.547 -2.600 -4.120 239 HG22 ILE 32 2HG2 ILE 32 -1.846 -2.748 -5.730 240 HG23 ILE 32 3HG2 ILE 32 -0.801 -2.490 -4.333 241 HD11 ILE 32 1HD1 ILE 32 -4.944 0.269 -3.769 242 HD12 ILE 32 2HD1 ILE 32 -4.139 1.120 -5.087 243 HD13 ILE 32 3HD1 ILE 32 -4.506 -0.597 -5.241 244 H PHE 33 HN PHE 33 1.121 -1.702 -3.739 245 HA PHE 33 HA PHE 33 2.033 -2.887 -6.237 246 HB2 PHE 33 2HB PHE 33 3.998 -1.689 -4.274 247 HB3 PHE 33 3HB PHE 33 4.383 -2.500 -5.789 248 HD1 PHE 33 1HD PHE 33 3.895 0.605 -4.236 249 HD2 PHE 33 2HD PHE 33 3.297 -1.432 -7.925 250 HE1 PHE 33 1HE PHE 33 3.798 2.766 -5.410 251 HE2 PHE 33 2HE PHE 33 3.200 0.725 -9.104 252 HZ PHE 33 HZ PHE 33 3.451 2.828 -7.847 253 H HIS 34 HN HIS 34 3.457 -4.783 -5.847 254 HA HIS 34 HA HIS 34 2.310 -6.581 -4.066 255 HB2 HIS 34 2HB HIS 34 4.976 -6.590 -5.473 256 HB3 HIS 34 3HB HIS 34 4.440 -7.936 -4.472 257 HD2 HIS 34 2HD HIS 34 1.278 -7.867 -5.653 258 HE1 HIS 34 1HE HIS 34 3.237 -8.806 -9.298 259 HE2 HIS 34 2HE HIS 34 1.029 -8.703 -8.088 260 H THR 35 HN THR 35 2.798 -7.303 -2.037 261 HA THR 35 HA THR 35 4.049 -5.502 -0.254 262 HB THR 35 HB THR 35 3.784 -8.305 0.644 263 HG1 THR 35 1HG THR 35 1.472 -6.784 -0.044 264 HG21 THR 35 1HG2 THR 35 2.217 -6.184 1.920 265 HG22 THR 35 2HG2 THR 35 3.948 -5.850 1.846 266 HG23 THR 35 3HG2 THR 35 3.367 -7.322 2.621 267 H SER 36 HN SER 36 5.217 -8.208 -2.081 268 HA SER 36 HA SER 36 7.642 -8.477 -0.516 269 HB2 SER 36 2HB SER 36 6.327 -10.330 -1.851 270 HB3 SER 36 3HB SER 36 7.292 -9.746 -3.207 271 HG SER 36 HG SER 36 9.145 -10.064 -1.746 272 H CYS 37 HN CYS 37 6.599 -7.032 -3.535 273 HA CYS 37 HA CYS 37 9.222 -6.447 -4.498 274 HB2 CYS 37 2HB CYS 37 6.513 -5.332 -5.243 275 HB3 CYS 37 3HB CYS 37 8.005 -4.937 -6.088 276 H LEU 38 HN LEU 38 6.832 -4.725 -2.580 277 HA LEU 38 HA LEU 38 8.104 -2.195 -2.646 278 HB2 LEU 38 2HB LEU 38 6.077 -3.467 -0.845 279 HB3 LEU 38 3HB LEU 38 6.742 -1.878 -0.476 280 HG LEU 38 HG LEU 38 5.227 -2.599 -2.984 281 HD11 LEU 38 1HD1 LEU 38 3.562 -0.968 -1.937 282 HD12 LEU 38 2HD1 LEU 38 4.416 -1.263 -0.424 283 HD13 LEU 38 3HD1 LEU 38 3.638 -2.599 -1.272 284 HD21 LEU 38 1HD2 LEU 38 5.979 -0.698 -3.843 285 HD22 LEU 38 2HD2 LEU 38 7.005 -0.469 -2.426 286 HD23 LEU 38 3HD2 LEU 38 5.370 0.193 -2.448 287 H ARG 39 HN ARG 39 7.977 -4.648 -0.057 288 HA ARG 39 HA ARG 39 9.819 -3.420 1.645 289 HB2 ARG 39 2HB ARG 39 9.110 -6.337 1.306 290 HB3 ARG 39 3HB ARG 39 10.113 -5.721 2.612 291 HG2 ARG 39 2HG ARG 39 8.093 -4.151 3.070 292 HG3 ARG 39 3HG ARG 39 7.194 -5.346 2.132 293 HD2 ARG 39 2HD ARG 39 7.362 -6.931 3.740 294 HD3 ARG 39 3HD ARG 39 8.973 -6.410 4.232 295 HE ARG 39 HE ARG 39 7.000 -4.500 4.963 296 HH11 ARG 39 1HH1 ARG 39 8.340 -7.586 5.856 297 HH12 ARG 39 2HH1 ARG 39 7.923 -7.430 7.530 298 HH21 ARG 39 1HH2 ARG 39 6.445 -4.281 7.164 299 HH22 ARG 39 2HH2 ARG 39 6.844 -5.550 8.273 300 H SER 40 HN SER 40 10.283 -5.332 -1.215 301 HA SER 40 HA SER 40 13.123 -5.703 -0.692 302 HB2 SER 40 2HB SER 40 11.351 -6.558 -2.989 303 HB3 SER 40 3HB SER 40 13.085 -6.874 -2.919 304 HG SER 40 HG SER 40 11.684 -7.611 -0.664 305 H TRP 41 HN TRP 41 11.008 -3.602 -2.438 306 HA TRP 41 HA TRP 41 13.015 -2.592 -4.232 307 HB2 TRP 41 2HB TRP 41 10.686 -2.535 -4.912 308 HB3 TRP 41 3HB TRP 41 10.266 -1.556 -3.510 309 HD1 TRP 41 1HD TRP 41 11.096 1.031 -3.538 310 HE1 TRP 41 1HE TRP 41 11.609 2.606 -5.508 311 HE3 TRP 41 3HE TRP 41 11.603 -2.450 -7.246 312 HZ2 TRP 41 2HZ TRP 41 12.158 2.398 -8.269 313 HZ3 TRP 41 3HZ TRP 41 12.123 -1.680 -9.525 314 HH2 TRP 41 2HH TRP 41 12.393 0.695 -10.023 315 H PHE 42 HN PHE 42 11.519 -1.518 -1.212 316 HA PHE 42 HA PHE 42 12.885 0.977 -1.118 317 HB2 PHE 42 2HB PHE 42 11.627 -0.596 1.141 318 HB3 PHE 42 3HB PHE 42 12.074 1.106 1.190 319 HD1 PHE 42 1HD PHE 42 11.102 2.158 -1.313 320 HD2 PHE 42 2HD PHE 42 9.334 -0.723 1.273 321 HE1 PHE 42 1HE PHE 42 8.875 2.769 -2.161 322 HE2 PHE 42 2HE PHE 42 7.104 -0.118 0.429 323 HZ PHE 42 HZ PHE 42 6.872 1.629 -1.291 324 H GLN 43 HN GLN 43 13.819 -2.231 -0.460 325 HA GLN 43 HA GLN 43 15.756 -1.780 1.552 326 HB2 GLN 43 2HB GLN 43 15.286 -3.968 -0.446 327 HB3 GLN 43 3HB GLN 43 16.735 -3.971 0.552 328 HG2 GLN 43 2HG GLN 43 14.338 -3.525 2.114 329 HG3 GLN 43 3HG GLN 43 14.276 -5.036 1.209 330 HE21 GLN 43 1HE2 GLN 43 16.743 -5.980 1.231 331 HE22 GLN 43 2HE2 GLN 43 17.312 -6.246 2.839 332 H ARG 44 HN ARG 44 15.663 -0.809 -1.649 333 HA ARG 44 HA ARG 44 18.552 -0.285 -1.615 334 HB2 ARG 44 2HB ARG 44 16.965 -1.290 -3.985 335 HB3 ARG 44 3HB ARG 44 18.627 -0.718 -4.062 336 HG2 ARG 44 2HG ARG 44 19.463 -2.571 -3.005 337 HG3 ARG 44 3HG ARG 44 17.946 -2.910 -2.168 338 HD2 ARG 44 2HD ARG 44 17.108 -4.102 -3.893 339 HD3 ARG 44 3HD ARG 44 17.841 -3.054 -5.107 340 HE ARG 44 HE ARG 44 18.841 -5.523 -4.253 341 HH11 ARG 44 1HH1 ARG 44 19.951 -2.284 -4.879 342 HH12 ARG 44 2HH1 ARG 44 21.555 -2.776 -5.307 343 HH21 ARG 44 1HH2 ARG 44 20.951 -6.185 -4.815 344 HH22 ARG 44 2HH2 ARG 44 22.123 -4.996 -5.271 345 H GLN 45 HN GLN 45 15.346 0.595 -2.732 346 HA GLN 45 HA GLN 45 16.315 3.340 -3.145 347 HB2 GLN 45 2HB GLN 45 14.072 2.915 -4.830 348 HB3 GLN 45 3HB GLN 45 15.724 3.299 -5.293 349 HG2 GLN 45 2HG GLN 45 14.958 0.482 -4.669 350 HG3 GLN 45 3HG GLN 45 14.581 1.181 -6.242 351 HE21 GLN 45 1HE2 GLN 45 17.374 2.290 -4.574 352 HE22 GLN 45 2HE2 GLN 45 18.548 1.477 -5.546 353 H GLN 46 HN GLN 46 15.492 4.363 -1.421 354 HA GLN 46 HA GLN 46 12.946 3.682 -0.290 355 HB2 GLN 46 2HB GLN 46 15.133 4.768 0.783 356 HB3 GLN 46 3HB GLN 46 14.283 6.255 0.383 357 HG2 GLN 46 2HG GLN 46 12.444 5.679 1.762 358 HG3 GLN 46 3HG GLN 46 13.039 4.034 1.977 359 HE21 GLN 46 1HE2 GLN 46 15.225 3.881 3.012 360 HE22 GLN 46 2HE2 GLN 46 15.552 4.957 4.323 361 H THR 47 HN THR 47 12.449 4.226 -2.887 362 HA THR 47 HA THR 47 10.770 6.603 -2.687 363 HB THR 47 HB THR 47 11.624 6.816 -5.292 364 HG1 THR 47 1HG THR 47 14.037 6.717 -3.871 365 HG21 THR 47 1HG2 THR 47 12.430 8.258 -2.779 366 HG22 THR 47 2HG2 THR 47 11.263 8.752 -4.006 367 HG23 THR 47 3HG2 THR 47 12.989 8.776 -4.368 368 H CYS 48 HN CYS 48 8.898 6.497 -3.886 369 HA CYS 48 HA CYS 48 7.793 4.034 -4.464 370 HB2 CYS 48 2HB CYS 48 6.880 6.620 -4.440 371 HB3 CYS 48 3HB CYS 48 6.766 6.213 -6.149 372 HA PRO 49 HA PRO 49 9.677 2.814 -8.265 373 HB2 PRO 49 2HB PRO 49 7.882 0.905 -8.977 374 HB3 PRO 49 3HB PRO 49 9.073 0.673 -7.690 375 HG2 PRO 49 2HG PRO 49 6.177 1.406 -7.484 376 HG3 PRO 49 3HG PRO 49 7.113 0.256 -6.510 377 HD2 PRO 49 2HD PRO 49 6.523 2.755 -5.648 378 HD3 PRO 49 3HD PRO 49 8.022 1.916 -5.195 379 H THR 50 HN THR 50 6.953 4.642 -7.993 380 HA THR 50 HA THR 50 6.687 4.857 -10.915 381 HB THR 50 HB THR 50 4.727 3.643 -10.008 382 HG1 THR 50 1HG THR 50 4.159 4.756 -11.782 383 HG21 THR 50 1HG2 THR 50 4.056 6.214 -8.579 384 HG22 THR 50 2HG2 THR 50 4.768 4.811 -7.779 385 HG23 THR 50 3HG2 THR 50 3.174 4.688 -8.525 386 H CYS 51 HN CYS 51 5.876 6.442 -7.827 387 HA CYS 51 HA CYS 51 6.198 9.048 -9.137 388 HB2 CYS 51 2HB CYS 51 4.909 9.993 -7.393 389 HB3 CYS 51 3HB CYS 51 4.105 8.480 -7.797 390 H ARG 52 HN ARG 52 7.995 6.883 -7.428 391 HA ARG 52 HA ARG 52 9.737 7.041 -5.910 392 HB2 ARG 52 2HB ARG 52 10.778 9.291 -7.556 393 HB3 ARG 52 3HB ARG 52 11.587 7.826 -7.017 394 HG2 ARG 52 2HG ARG 52 9.836 6.721 -8.687 395 HG3 ARG 52 3HG ARG 52 9.954 8.316 -9.433 396 HD2 ARG 52 2HD ARG 52 12.581 7.538 -8.817 397 HD3 ARG 52 3HD ARG 52 11.803 6.121 -9.521 398 HE ARG 52 HE ARG 52 11.143 8.207 -11.177 399 HH11 ARG 52 1HH1 ARG 52 14.095 6.758 -10.033 400 HH12 ARG 52 2HH1 ARG 52 14.994 7.152 -11.460 401 HH21 ARG 52 1HH2 ARG 52 12.317 8.730 -13.061 402 HH22 ARG 52 2HH2 ARG 52 13.982 8.274 -13.182 403 H MET 53 HN MET 53 7.837 8.253 -4.583 404 HA MET 53 HA MET 53 8.991 10.815 -3.692 405 HB2 MET 53 2HB MET 53 6.665 10.860 -4.736 406 HB3 MET 53 3HB MET 53 6.118 9.981 -3.314 407 HG2 MET 53 2HG MET 53 6.828 11.803 -1.884 408 HG3 MET 53 3HG MET 53 7.458 12.675 -3.279 409 HE1 MET 53 1HE MET 53 3.174 11.799 -2.128 410 HE2 MET 53 2HE MET 53 3.617 10.909 -3.585 411 HE3 MET 53 3HE MET 53 4.552 10.696 -2.104 412 H ASP 54 HN ASP 54 9.396 7.897 -2.872 413 HA ASP 54 HA ASP 54 9.777 6.720 -0.961 414 HB2 ASP 54 2HB ASP 54 10.927 9.002 -0.492 415 HB3 ASP 54 3HB ASP 54 9.572 9.279 0.600 416 H VAL 55 HN VAL 55 8.841 6.042 1.129 417 HA VAL 55 HA VAL 55 6.210 7.017 1.807 418 HB VAL 55 HB VAL 55 5.233 4.657 1.591 419 HG11 VAL 55 1HG1 VAL 55 4.450 5.083 -0.642 420 HG12 VAL 55 2HG1 VAL 55 4.597 6.621 0.211 421 HG13 VAL 55 3HG1 VAL 55 5.821 6.143 -0.966 422 HG21 VAL 55 1HG2 VAL 55 6.230 3.407 -0.377 423 HG22 VAL 55 2HG2 VAL 55 7.657 4.423 -0.176 424 HG23 VAL 55 3HG2 VAL 55 7.148 3.352 1.128 425 H LEU 56 HN LEU 56 8.511 4.334 2.191 426 HA LEU 56 HA LEU 56 7.812 3.218 4.536 427 HB2 LEU 56 2HB LEU 56 10.135 3.342 3.025 428 HB3 LEU 56 3HB LEU 56 10.632 3.890 4.624 429 HG LEU 56 HG LEU 56 9.022 1.433 4.617 430 HD11 LEU 56 1HD1 LEU 56 11.092 0.099 3.978 431 HD12 LEU 56 2HD1 LEU 56 11.680 1.582 3.228 432 HD13 LEU 56 3HD1 LEU 56 10.181 0.844 2.664 433 HD21 LEU 56 1HD2 LEU 56 10.483 2.703 6.448 434 HD22 LEU 56 2HD2 LEU 56 11.731 1.639 5.798 435 HD23 LEU 56 3HD2 LEU 56 10.248 0.956 6.466 Start of MODEL 9 1 H1 ALA 1 HN ALA 1 -4.254 -3.948 0.218 2 HA ALA 1 HA ALA 1 -5.934 -2.190 -0.399 3 HB1 ALA 1 1HB ALA 1 -4.251 -2.188 -1.961 4 HB2 ALA 1 2HB ALA 1 -4.536 -3.865 -2.431 5 HB3 ALA 1 3HB ALA 1 -5.640 -2.598 -2.968 6 H THR 2 HN THR 2 -7.772 -1.769 -1.832 7 HA THR 2 HA THR 2 -9.734 -3.929 -1.629 8 HB THR 2 HB THR 2 -11.231 -1.880 -2.473 9 HG1 THR 2 1HG THR 2 -10.113 -0.096 -1.037 10 HG21 THR 2 1HG2 THR 2 -12.069 -1.886 -0.371 11 HG22 THR 2 2HG2 THR 2 -10.492 -1.604 0.368 12 HG23 THR 2 3HG2 THR 2 -10.948 -3.228 -0.147 13 HA PRO 3 HA PRO 3 -9.959 -4.753 -5.934 14 HB2 PRO 3 2HB PRO 3 -12.619 -5.155 -6.294 15 HB3 PRO 3 3HB PRO 3 -11.580 -6.307 -5.446 16 HG2 PRO 3 2HG PRO 3 -13.418 -4.228 -4.321 17 HG3 PRO 3 3HG PRO 3 -13.170 -5.905 -3.797 18 HD2 PRO 3 2HD PRO 3 -12.033 -3.799 -2.530 19 HD3 PRO 3 3HD PRO 3 -11.250 -5.388 -2.632 20 H GLU 4 HN GLU 4 -12.077 -2.245 -4.674 21 HA GLU 4 HA GLU 4 -12.758 -1.161 -7.233 22 HB2 GLU 4 2HB GLU 4 -13.964 -0.923 -4.916 23 HB3 GLU 4 3HB GLU 4 -12.878 0.443 -4.707 24 HG2 GLU 4 2HG GLU 4 -14.689 1.488 -5.609 25 HG3 GLU 4 3HG GLU 4 -13.772 1.124 -7.070 26 H GLU 5 HN GLU 5 -10.452 -0.282 -4.685 27 HA GLU 5 HA GLU 5 -9.441 1.993 -6.087 28 HB2 GLU 5 2HB GLU 5 -8.333 0.424 -3.755 29 HB3 GLU 5 3HB GLU 5 -7.626 1.913 -4.366 30 HG2 GLU 5 2HG GLU 5 -10.455 2.197 -3.818 31 HG3 GLU 5 3HG GLU 5 -9.547 1.684 -2.398 32 H LEU 6 HN LEU 6 -8.598 -1.396 -5.911 33 HA LEU 6 HA LEU 6 -6.034 -1.187 -7.104 34 HB2 LEU 6 2HB LEU 6 -7.971 -3.396 -6.605 35 HB3 LEU 6 3HB LEU 6 -6.619 -3.678 -7.698 36 HG LEU 6 HG LEU 6 -6.279 -2.733 -4.858 37 HD11 LEU 6 1HD1 LEU 6 -7.373 -4.884 -4.793 38 HD12 LEU 6 2HD1 LEU 6 -5.679 -5.065 -4.340 39 HD13 LEU 6 3HD1 LEU 6 -6.216 -5.541 -5.951 40 HD21 LEU 6 1HD2 LEU 6 -4.018 -3.109 -5.146 41 HD22 LEU 6 2HD2 LEU 6 -4.485 -2.451 -6.715 42 HD23 LEU 6 3HD2 LEU 6 -4.264 -4.191 -6.517 43 H GLN 7 HN GLN 7 -9.174 -2.217 -8.445 44 HA GLN 7 HA GLN 7 -8.249 -2.370 -11.116 45 HB2 GLN 7 2HB GLN 7 -10.622 -2.973 -9.731 46 HB3 GLN 7 3HB GLN 7 -11.073 -1.809 -10.969 47 HG2 GLN 7 2HG GLN 7 -9.398 -3.619 -12.259 48 HG3 GLN 7 3HG GLN 7 -10.427 -4.601 -11.219 49 HE21 GLN 7 1HE2 GLN 7 -12.681 -2.858 -11.289 50 HE22 GLN 7 2HE2 GLN 7 -13.375 -2.975 -12.866 51 H ALA 8 HN ALA 8 -8.665 0.273 -9.175 52 HA ALA 8 HA ALA 8 -9.547 2.060 -11.313 53 HB1 ALA 8 1HB ALA 8 -10.516 2.289 -9.045 54 HB2 ALA 8 2HB ALA 8 -8.917 2.726 -8.441 55 HB3 ALA 8 3HB ALA 8 -9.729 3.759 -9.619 56 H MET 9 HN MET 9 -6.774 0.654 -10.757 57 HA MET 9 HA MET 9 -5.229 2.870 -11.799 58 HB2 MET 9 2HB MET 9 -3.479 2.747 -10.120 59 HB3 MET 9 3HB MET 9 -5.013 3.135 -9.354 60 HG2 MET 9 2HG MET 9 -4.949 1.319 -8.081 61 HG3 MET 9 3HG MET 9 -4.531 0.282 -9.443 62 HE1 MET 9 1HE MET 9 -2.535 -0.618 -9.986 63 HE2 MET 9 2HE MET 9 -1.512 0.761 -10.391 64 HE3 MET 9 3HE MET 9 -0.966 -0.424 -9.204 65 H ASP 10 HN ASP 10 -6.161 0.198 -12.649 66 HA ASP 10 HA ASP 10 -5.306 -1.349 -14.117 67 HB2 ASP 10 2HB ASP 10 -3.282 0.475 -14.080 68 HB3 ASP 10 3HB ASP 10 -2.464 -0.947 -13.440 69 H ASN 11 HN ASN 11 -4.607 -1.091 -10.822 70 HA ASN 11 HA ASN 11 -3.929 -2.572 -9.206 71 HB2 ASN 11 2HB ASN 11 -5.348 -4.441 -9.042 72 HB3 ASN 11 3HB ASN 11 -6.280 -3.273 -9.974 73 HD21 ASN 11 1HD2 ASN 11 -4.751 -6.338 -9.955 74 HD22 ASN 11 2HD2 ASN 11 -5.225 -6.833 -11.542 75 H VAL 12 HN VAL 12 -2.032 -2.331 -11.327 76 HA VAL 12 HA VAL 12 -0.900 -5.054 -11.342 77 HB VAL 12 HB VAL 12 -0.882 -2.934 -13.459 78 HG11 VAL 12 1HG1 VAL 12 1.301 -4.825 -12.804 79 HG12 VAL 12 2HG1 VAL 12 0.875 -4.640 -14.506 80 HG13 VAL 12 3HG1 VAL 12 1.367 -3.234 -13.561 81 HG21 VAL 12 1HG2 VAL 12 -2.404 -5.093 -13.221 82 HG22 VAL 12 2HG2 VAL 12 -1.843 -4.517 -14.790 83 HG23 VAL 12 3HG2 VAL 12 -1.011 -5.852 -13.992 84 H CYS 13 HN CYS 13 0.995 -5.306 -10.355 85 HA CYS 13 HA CYS 13 2.241 -3.171 -8.975 86 HB2 CYS 13 2HB CYS 13 2.350 -5.428 -8.101 87 HB3 CYS 13 3HB CYS 13 3.193 -5.985 -9.543 88 H ILE 14 HN ILE 14 3.442 -1.634 -9.857 89 HA ILE 14 HA ILE 14 4.524 -1.765 -12.463 90 HB ILE 14 HB ILE 14 3.927 0.315 -11.033 91 HG12 ILE 14 2HG1 ILE 14 4.727 0.517 -13.295 92 HG13 ILE 14 3HG1 ILE 14 5.598 1.679 -12.303 93 HG21 ILE 14 1HG2 ILE 14 5.414 -0.213 -9.165 94 HG22 ILE 14 2HG2 ILE 14 6.807 -0.077 -10.235 95 HG23 ILE 14 3HG2 ILE 14 5.821 1.343 -9.891 96 HD11 ILE 14 1HD1 ILE 14 6.571 -0.749 -13.683 97 HD12 ILE 14 2HD1 ILE 14 7.331 0.830 -13.486 98 HD13 ILE 14 3HD1 ILE 14 7.327 -0.319 -12.149 99 H ILE 15 HN ILE 15 6.030 -2.007 -9.254 100 HA ILE 15 HA ILE 15 8.656 -2.075 -9.689 101 HB ILE 15 HB ILE 15 7.179 -4.218 -8.155 102 HG12 ILE 15 2HG1 ILE 15 8.532 -1.888 -6.872 103 HG13 ILE 15 3HG1 ILE 15 6.981 -1.613 -7.659 104 HG21 ILE 15 1HG2 ILE 15 10.036 -3.652 -8.550 105 HG22 ILE 15 2HG2 ILE 15 9.541 -3.904 -6.876 106 HG23 ILE 15 3HG2 ILE 15 9.227 -5.148 -8.085 107 HD11 ILE 15 1HD1 ILE 15 6.104 -3.536 -6.257 108 HD12 ILE 15 2HD1 ILE 15 7.599 -3.395 -5.332 109 HD13 ILE 15 3HD1 ILE 15 6.482 -2.034 -5.413 110 H CYS 16 HN CYS 16 6.548 -4.865 -10.374 111 HA CYS 16 HA CYS 16 8.673 -5.925 -12.120 112 HB2 CYS 16 2HB CYS 16 7.698 -8.154 -11.736 113 HB3 CYS 16 3HB CYS 16 8.218 -7.403 -10.232 114 H ARG 17 HN ARG 17 5.813 -4.335 -12.198 115 HA ARG 17 HA ARG 17 4.112 -4.089 -13.700 116 HB2 ARG 17 2HB ARG 17 6.490 -4.761 -15.408 117 HB3 ARG 17 3HB ARG 17 4.921 -4.438 -16.135 118 HG2 ARG 17 2HG ARG 17 5.138 -2.298 -14.517 119 HG3 ARG 17 3HG ARG 17 6.840 -2.600 -14.870 120 HD2 ARG 17 2HD ARG 17 4.666 -2.306 -16.939 121 HD3 ARG 17 3HD ARG 17 5.784 -1.030 -16.459 122 HE ARG 17 HE ARG 17 6.311 -3.176 -18.254 123 HH11 ARG 17 1HH1 ARG 17 7.776 -1.118 -15.860 124 HH12 ARG 17 2HH1 ARG 17 9.369 -1.256 -16.527 125 HH21 ARG 17 1HH2 ARG 17 8.403 -3.365 -19.143 126 HH22 ARG 17 2HH2 ARG 17 9.724 -2.533 -18.395 127 H GLU 18 HN GLU 18 3.423 -6.224 -12.504 128 HA GLU 18 HA GLU 18 2.937 -8.270 -14.570 129 HB2 GLU 18 2HB GLU 18 3.472 -8.536 -11.627 130 HB3 GLU 18 3HB GLU 18 2.576 -9.781 -12.487 131 HG2 GLU 18 2HG GLU 18 5.396 -8.875 -12.997 132 HG3 GLU 18 3HG GLU 18 4.861 -10.440 -12.387 133 H GLU 19 HN GLU 19 1.443 -8.329 -11.431 134 HA GLU 19 HA GLU 19 -0.921 -6.918 -12.067 135 HB2 GLU 19 2HB GLU 19 -0.761 -9.519 -13.186 136 HB3 GLU 19 3HB GLU 19 -1.918 -9.592 -11.865 137 HG2 GLU 19 2HG GLU 19 -3.380 -8.917 -13.412 138 HG3 GLU 19 3HG GLU 19 -2.705 -7.319 -13.098 139 H MET 20 HN MET 20 -2.370 -6.826 -10.333 140 HA MET 20 HA MET 20 -1.522 -8.259 -7.903 141 HB2 MET 20 2HB MET 20 -2.110 -5.356 -8.317 142 HB3 MET 20 3HB MET 20 -2.474 -6.087 -6.759 143 HG2 MET 20 2HG MET 20 -0.210 -6.648 -6.387 144 HG3 MET 20 3HG MET 20 0.226 -6.284 -8.054 145 HE1 MET 20 1HE MET 20 0.255 -2.724 -8.512 146 HE2 MET 20 2HE MET 20 -0.710 -4.111 -9.016 147 HE3 MET 20 3HE MET 20 -1.428 -2.860 -7.999 148 H VAL 21 HN VAL 21 -3.079 -9.735 -7.604 149 HA VAL 21 HA VAL 21 -5.856 -9.104 -8.181 150 HB VAL 21 HB VAL 21 -6.095 -11.539 -7.196 151 HG11 VAL 21 1HG1 VAL 21 -5.822 -12.427 -9.414 152 HG12 VAL 21 2HG1 VAL 21 -6.496 -10.800 -9.534 153 HG13 VAL 21 3HG1 VAL 21 -4.786 -11.076 -9.872 154 HG21 VAL 21 1HG2 VAL 21 -3.228 -11.585 -8.114 155 HG22 VAL 21 2HG2 VAL 21 -3.705 -11.526 -6.417 156 HG23 VAL 21 3HG2 VAL 21 -4.160 -12.907 -7.413 157 H THR 22 HN THR 22 -3.732 -9.383 -5.453 158 HA THR 22 HA THR 22 -5.410 -8.050 -3.681 159 HB THR 22 HB THR 22 -6.874 -9.979 -3.721 160 HG1 THR 22 1HG THR 22 -6.629 -10.572 -1.420 161 HG21 THR 22 1HG2 THR 22 -6.215 -12.143 -3.639 162 HG22 THR 22 2HG2 THR 22 -4.923 -11.815 -2.484 163 HG23 THR 22 3HG2 THR 22 -4.680 -11.480 -4.198 164 H GLY 23 HN GLY 23 -2.808 -10.304 -4.215 165 HA2 GLY 23 1HA GLY 23 -1.630 -10.026 -1.617 166 HA3 GLY 23 2HA GLY 23 -0.874 -10.740 -3.033 167 H ALA 24 HN ALA 24 -2.055 -7.488 -2.163 168 HA ALA 24 HA ALA 24 0.626 -6.414 -2.424 169 HB1 ALA 24 1HB ALA 24 -0.806 -4.636 -4.000 170 HB2 ALA 24 2HB ALA 24 0.402 -5.798 -4.550 171 HB3 ALA 24 3HB ALA 24 -1.308 -6.228 -4.568 172 H LYS 25 HN LYS 25 0.768 -4.168 -1.747 173 HA LYS 25 HA LYS 25 -1.402 -3.465 0.114 174 HB2 LYS 25 2HB LYS 25 1.433 -2.451 0.252 175 HB3 LYS 25 3HB LYS 25 0.206 -2.415 1.510 176 HG2 LYS 25 2HG LYS 25 1.518 -4.898 0.422 177 HG3 LYS 25 3HG LYS 25 1.922 -4.100 1.944 178 HD2 LYS 25 2HD LYS 25 -0.899 -4.563 1.839 179 HD3 LYS 25 3HD LYS 25 -0.049 -6.066 1.475 180 HE2 LYS 25 2HE LYS 25 0.730 -6.271 3.572 181 HE3 LYS 25 3HE LYS 25 1.085 -4.550 3.711 182 HZ1 LYS 25 1HZ LYS 25 -0.645 -4.516 5.096 183 HZ2 LYS 25 2HZ LYS 25 -1.229 -6.018 4.580 184 HZ3 LYS 25 3HZ LYS 25 -1.619 -4.616 3.716 185 H ARG 26 HN ARG 26 -1.219 -0.956 0.639 186 HA ARG 26 HA ARG 26 -1.157 0.460 -1.946 187 HB2 ARG 26 2HB ARG 26 -3.459 0.084 -1.059 188 HB3 ARG 26 3HB ARG 26 -3.021 1.014 0.368 189 HG2 ARG 26 2HG ARG 26 -2.438 2.889 -1.297 190 HG3 ARG 26 3HG ARG 26 -3.392 1.950 -2.448 191 HD2 ARG 26 2HD ARG 26 -4.674 3.729 -1.257 192 HD3 ARG 26 3HD ARG 26 -5.336 2.105 -1.068 193 HE ARG 26 HE ARG 26 -3.550 2.843 1.049 194 HH11 ARG 26 1HH1 ARG 26 -6.823 3.070 -0.117 195 HH12 ARG 26 2HH1 ARG 26 -7.507 3.302 1.459 196 HH21 ARG 26 1HH2 ARG 26 -4.438 3.147 3.128 197 HH22 ARG 26 2HH2 ARG 26 -6.149 3.347 3.303 198 H LEU 27 HN LEU 27 -0.242 2.477 -2.007 199 HA LEU 27 HA LEU 27 1.337 3.216 0.342 200 HB2 LEU 27 2HB LEU 27 1.500 3.958 -2.566 201 HB3 LEU 27 3HB LEU 27 2.435 4.792 -1.326 202 HG LEU 27 HG LEU 27 2.637 1.868 -2.048 203 HD11 LEU 27 1HD1 LEU 27 3.587 3.697 -3.602 204 HD12 LEU 27 2HD1 LEU 27 4.628 2.356 -3.128 205 HD13 LEU 27 3HD1 LEU 27 4.793 3.922 -2.336 206 HD21 LEU 27 1HD2 LEU 27 3.680 3.472 0.212 207 HD22 LEU 27 2HD2 LEU 27 4.791 2.329 -0.542 208 HD23 LEU 27 3HD2 LEU 27 3.262 1.761 0.129 209 HA PRO 28 HA PRO 28 -1.074 6.750 1.327 210 HB2 PRO 28 2HB PRO 28 0.839 8.443 2.248 211 HB3 PRO 28 3HB PRO 28 0.295 7.024 3.152 212 HG2 PRO 28 2HG PRO 28 2.728 7.362 1.440 213 HG3 PRO 28 3HG PRO 28 2.571 6.573 3.021 214 HD2 PRO 28 2HD PRO 28 2.659 5.180 0.701 215 HD3 PRO 28 3HD PRO 28 1.729 4.631 2.109 216 H CYS 29 HN CYS 29 0.904 6.653 -1.301 217 HA CYS 29 HA CYS 29 0.410 9.464 -2.021 218 HB2 CYS 29 2HB CYS 29 2.137 8.958 -3.848 219 HB3 CYS 29 3HB CYS 29 2.726 9.085 -2.194 220 H ASN 30 HN ASN 30 -0.981 6.562 -2.366 221 HA ASN 30 HA ASN 30 -2.751 5.950 -3.703 222 HB2 ASN 30 2HB ASN 30 -2.776 8.509 -4.270 223 HB3 ASN 30 3HB ASN 30 -2.028 7.990 -5.778 224 HD21 ASN 30 1HD2 ASN 30 -3.252 7.062 -7.320 225 HD22 ASN 30 2HD2 ASN 30 -4.952 6.789 -7.181 226 H HIS 31 HN HIS 31 -0.552 4.489 -3.745 227 HA HIS 31 HA HIS 31 -0.453 3.530 -6.480 228 HB2 HIS 31 2HB HIS 31 2.057 4.345 -5.001 229 HB3 HIS 31 3HB HIS 31 2.025 3.451 -6.517 230 HD2 HIS 31 2HD HIS 31 0.304 5.138 -8.476 231 HE1 HIS 31 1HE HIS 31 2.295 8.594 -7.031 232 HE2 HIS 31 2HE HIS 31 0.813 7.649 -8.835 233 H ILE 32 HN ILE 32 -0.968 1.462 -6.256 234 HA ILE 32 HA ILE 32 -0.178 0.018 -3.843 235 HB ILE 32 HB ILE 32 -2.097 -0.653 -6.067 236 HG12 ILE 32 2HG1 ILE 32 -2.709 -0.536 -3.130 237 HG13 ILE 32 3HG1 ILE 32 -2.617 0.950 -4.070 238 HG21 ILE 32 1HG2 ILE 32 -2.359 -2.525 -3.986 239 HG22 ILE 32 2HG2 ILE 32 -1.823 -2.813 -5.640 240 HG23 ILE 32 3HG2 ILE 32 -0.642 -2.453 -4.382 241 HD11 ILE 32 1HD1 ILE 32 -4.872 0.406 -4.086 242 HD12 ILE 32 2HD1 ILE 32 -4.292 -0.186 -5.643 243 HD13 ILE 32 3HD1 ILE 32 -4.555 -1.314 -4.313 244 H PHE 33 HN PHE 33 1.264 -1.616 -3.803 245 HA PHE 33 HA PHE 33 2.207 -2.791 -6.295 246 HB2 PHE 33 2HB PHE 33 4.121 -1.524 -4.327 247 HB3 PHE 33 3HB PHE 33 4.550 -2.357 -5.816 248 HD1 PHE 33 1HD PHE 33 3.380 -1.361 -7.978 249 HD2 PHE 33 2HD PHE 33 4.054 0.766 -4.353 250 HE1 PHE 33 1HE PHE 33 3.249 0.766 -9.207 251 HE2 PHE 33 2HE PHE 33 3.923 2.897 -5.576 252 HZ PHE 33 HZ PHE 33 3.519 2.900 -8.006 253 H HIS 34 HN HIS 34 3.180 -4.816 -6.049 254 HA HIS 34 HA HIS 34 2.221 -6.565 -4.235 255 HB2 HIS 34 2HB HIS 34 4.891 -6.544 -5.629 256 HB3 HIS 34 3HB HIS 34 4.393 -7.890 -4.608 257 HD2 HIS 34 2HD HIS 34 1.222 -7.901 -5.773 258 HE1 HIS 34 1HE HIS 34 3.181 -8.848 -9.415 259 HE2 HIS 34 2HE HIS 34 0.978 -8.775 -8.195 260 H THR 35 HN THR 35 2.724 -7.346 -2.219 261 HA THR 35 HA THR 35 4.023 -5.532 -0.435 262 HB THR 35 HB THR 35 3.298 -8.345 0.325 263 HG1 THR 35 1HG THR 35 1.327 -7.929 -0.318 264 HG21 THR 35 1HG2 THR 35 3.380 -7.579 2.435 265 HG22 THR 35 2HG2 THR 35 2.529 -6.090 2.025 266 HG23 THR 35 3HG2 THR 35 4.267 -6.217 1.754 267 H SER 36 HN SER 36 5.065 -8.190 -2.312 268 HA SER 36 HA SER 36 7.406 -8.684 -0.638 269 HB2 SER 36 2HB SER 36 7.792 -10.620 -1.940 270 HB3 SER 36 3HB SER 36 6.039 -10.542 -1.762 271 HG SER 36 HG SER 36 7.100 -10.875 -3.968 272 H CYS 37 HN CYS 37 6.465 -6.985 -3.481 273 HA CYS 37 HA CYS 37 9.145 -6.755 -4.542 274 HB2 CYS 37 2HB CYS 37 6.532 -5.444 -5.312 275 HB3 CYS 37 3HB CYS 37 8.052 -5.163 -6.153 276 H LEU 38 HN LEU 38 6.945 -4.860 -2.584 277 HA LEU 38 HA LEU 38 8.414 -2.427 -2.711 278 HB2 LEU 38 2HB LEU 38 6.253 -3.503 -0.951 279 HB3 LEU 38 3HB LEU 38 7.083 -2.013 -0.510 280 HG LEU 38 HG LEU 38 5.506 -2.487 -3.037 281 HD11 LEU 38 1HD1 LEU 38 4.045 -2.285 -1.144 282 HD12 LEU 38 2HD1 LEU 38 3.998 -0.779 -2.059 283 HD13 LEU 38 3HD1 LEU 38 4.924 -0.872 -0.561 284 HD21 LEU 38 1HD2 LEU 38 6.044 0.253 -2.520 285 HD22 LEU 38 2HD2 LEU 38 6.534 -0.724 -3.904 286 HD23 LEU 38 3HD2 LEU 38 7.571 -0.627 -2.480 287 H ARG 39 HN ARG 39 8.389 -5.171 -0.490 288 HA ARG 39 HA ARG 39 10.033 -4.099 1.505 289 HB2 ARG 39 2HB ARG 39 10.548 -6.489 2.049 290 HB3 ARG 39 3HB ARG 39 8.832 -6.127 1.929 291 HG2 ARG 39 2HG ARG 39 8.849 -7.043 -0.373 292 HG3 ARG 39 3HG ARG 39 10.535 -7.505 -0.134 293 HD2 ARG 39 2HD ARG 39 9.706 -8.767 1.929 294 HD3 ARG 39 3HD ARG 39 8.089 -8.546 1.262 295 HE ARG 39 HE ARG 39 9.457 -9.623 -0.803 296 HH11 ARG 39 1HH1 ARG 39 9.064 -10.540 2.532 297 HH12 ARG 39 2HH1 ARG 39 9.224 -12.237 2.219 298 HH21 ARG 39 1HH2 ARG 39 9.670 -11.854 -1.227 299 HH22 ARG 39 2HH2 ARG 39 9.571 -12.983 0.082 300 H SER 40 HN SER 40 10.887 -6.075 -1.331 301 HA SER 40 HA SER 40 13.705 -5.832 -0.829 302 HB2 SER 40 2HB SER 40 12.358 -7.713 -2.099 303 HB3 SER 40 3HB SER 40 12.626 -6.666 -3.493 304 HG SER 40 HG SER 40 14.357 -8.317 -2.233 305 H TRP 41 HN TRP 41 11.337 -3.946 -2.404 306 HA TRP 41 HA TRP 41 13.100 -2.648 -4.264 307 HB2 TRP 41 2HB TRP 41 10.789 -2.728 -4.860 308 HB3 TRP 41 3HB TRP 41 10.300 -2.039 -3.314 309 HD1 TRP 41 1HD TRP 41 10.547 0.605 -3.010 310 HE1 TRP 41 1HE TRP 41 10.812 2.515 -4.714 311 HE3 TRP 41 3HE TRP 41 11.850 -2.146 -7.118 312 HZ2 TRP 41 2HZ TRP 41 11.485 2.816 -7.439 313 HZ3 TRP 41 3HZ TRP 41 12.286 -0.969 -9.235 314 HH2 TRP 41 2HH TRP 41 12.106 1.460 -9.390 315 H PHE 42 HN PHE 42 11.547 -1.696 -1.205 316 HA PHE 42 HA PHE 42 12.964 0.793 -1.080 317 HB2 PHE 42 2HB PHE 42 11.134 -0.694 0.776 318 HB3 PHE 42 3HB PHE 42 12.042 0.698 1.357 319 HD1 PHE 42 1HD PHE 42 8.940 -0.143 0.435 320 HD2 PHE 42 2HD PHE 42 11.962 2.627 -0.711 321 HE1 PHE 42 1HE PHE 42 7.216 1.355 -0.482 322 HE2 PHE 42 2HE PHE 42 10.243 4.129 -1.628 323 HZ PHE 42 HZ PHE 42 7.866 3.495 -1.513 324 H GLN 43 HN GLN 43 13.590 -2.445 -0.107 325 HA GLN 43 HA GLN 43 15.245 -2.199 2.072 326 HB2 GLN 43 2HB GLN 43 14.965 -4.115 -0.140 327 HB3 GLN 43 3HB GLN 43 16.549 -4.116 0.624 328 HG2 GLN 43 2HG GLN 43 14.572 -4.072 2.664 329 HG3 GLN 43 3HG GLN 43 14.158 -5.339 1.509 330 HE21 GLN 43 1HE2 GLN 43 14.609 -6.895 3.112 331 HE22 GLN 43 2HE2 GLN 43 16.234 -7.328 3.507 332 H ARG 44 HN ARG 44 15.836 -1.219 -1.199 333 HA ARG 44 HA ARG 44 18.543 -0.359 -0.416 334 HB2 ARG 44 2HB ARG 44 17.989 -0.814 -3.292 335 HB3 ARG 44 3HB ARG 44 19.462 -1.088 -2.371 336 HG2 ARG 44 2HG ARG 44 18.586 -3.138 -1.479 337 HG3 ARG 44 3HG ARG 44 17.017 -2.837 -2.229 338 HD2 ARG 44 2HD ARG 44 18.243 -2.825 -4.448 339 HD3 ARG 44 3HD ARG 44 19.633 -3.466 -3.573 340 HE ARG 44 HE ARG 44 17.319 -5.019 -3.060 341 HH11 ARG 44 1HH1 ARG 44 19.727 -4.384 -5.493 342 HH12 ARG 44 2HH1 ARG 44 19.597 -5.952 -6.217 343 HH21 ARG 44 1HH2 ARG 44 17.140 -7.088 -4.005 344 HH22 ARG 44 2HH2 ARG 44 18.124 -7.489 -5.370 345 H GLN 45 HN GLN 45 15.506 0.431 -1.837 346 HA GLN 45 HA GLN 45 16.498 3.122 -2.508 347 HB2 GLN 45 2HB GLN 45 13.890 2.022 -3.504 348 HB3 GLN 45 3HB GLN 45 14.885 3.300 -4.189 349 HG2 GLN 45 2HG GLN 45 15.381 0.340 -4.262 350 HG3 GLN 45 3HG GLN 45 15.065 1.424 -5.616 351 HE21 GLN 45 1HE2 GLN 45 16.804 3.503 -4.494 352 HE22 GLN 45 2HE2 GLN 45 18.421 2.976 -4.793 353 H GLN 46 HN GLN 46 14.772 4.851 -2.274 354 HA GLN 46 HA GLN 46 12.987 4.343 -0.006 355 HB2 GLN 46 2HB GLN 46 15.265 5.381 0.654 356 HB3 GLN 46 3HB GLN 46 14.646 6.846 -0.095 357 HG2 GLN 46 2HG GLN 46 12.575 6.201 1.510 358 HG3 GLN 46 3HG GLN 46 13.927 5.568 2.448 359 HE21 GLN 46 1HE2 GLN 46 12.116 8.276 1.705 360 HE22 GLN 46 2HE2 GLN 46 13.150 9.479 2.388 361 H THR 47 HN THR 47 12.509 4.682 -2.849 362 HA THR 47 HA THR 47 10.682 6.968 -2.680 363 HB THR 47 HB THR 47 11.518 6.871 -5.370 364 HG1 THR 47 1HG THR 47 13.446 5.845 -4.258 365 HG21 THR 47 1HG2 THR 47 12.391 8.905 -3.329 366 HG22 THR 47 2HG2 THR 47 10.732 8.808 -3.921 367 HG23 THR 47 3HG2 THR 47 12.049 9.152 -5.042 368 H CYS 48 HN CYS 48 9.018 6.912 -4.424 369 HA CYS 48 HA CYS 48 7.864 4.307 -4.569 370 HB2 CYS 48 2HB CYS 48 6.863 6.848 -4.658 371 HB3 CYS 48 3HB CYS 48 6.763 6.377 -6.352 372 HA PRO 49 HA PRO 49 9.696 2.908 -8.330 373 HB2 PRO 49 2HB PRO 49 7.911 0.950 -8.922 374 HB3 PRO 49 3HB PRO 49 9.116 0.795 -7.638 375 HG2 PRO 49 2HG PRO 49 6.217 1.513 -7.439 376 HG3 PRO 49 3HG PRO 49 7.173 0.423 -6.417 377 HD2 PRO 49 2HD PRO 49 6.571 2.959 -5.678 378 HD3 PRO 49 3HD PRO 49 8.081 2.156 -5.200 379 H THR 50 HN THR 50 6.993 4.754 -8.130 380 HA THR 50 HA THR 50 6.704 4.830 -11.052 381 HB THR 50 HB THR 50 4.776 3.593 -10.044 382 HG1 THR 50 1HG THR 50 4.745 5.646 -11.771 383 HG21 THR 50 1HG2 THR 50 4.726 4.969 -7.940 384 HG22 THR 50 2HG2 THR 50 3.155 4.735 -8.709 385 HG23 THR 50 3HG2 THR 50 4.006 6.270 -8.887 386 H CYS 51 HN CYS 51 5.851 6.497 -8.021 387 HA CYS 51 HA CYS 51 6.080 9.064 -9.420 388 HB2 CYS 51 2HB CYS 51 4.772 10.025 -7.709 389 HB3 CYS 51 3HB CYS 51 4.030 8.457 -8.013 390 H ARG 52 HN ARG 52 8.020 7.030 -7.762 391 HA ARG 52 HA ARG 52 9.795 7.268 -6.297 392 HB2 ARG 52 2HB ARG 52 10.151 8.994 -8.681 393 HB3 ARG 52 3HB ARG 52 11.291 9.238 -7.364 394 HG2 ARG 52 2HG ARG 52 12.146 7.082 -7.539 395 HG3 ARG 52 3HG ARG 52 10.746 6.500 -8.442 396 HD2 ARG 52 2HD ARG 52 12.812 6.814 -9.812 397 HD3 ARG 52 3HD ARG 52 11.404 7.704 -10.390 398 HE ARG 52 HE ARG 52 13.172 9.192 -8.651 399 HH11 ARG 52 1HH1 ARG 52 12.352 8.332 -11.923 400 HH12 ARG 52 2HH1 ARG 52 13.129 9.716 -12.620 401 HH21 ARG 52 1HH2 ARG 52 14.198 11.017 -9.556 402 HH22 ARG 52 2HH2 ARG 52 14.179 11.242 -11.273 403 H MET 53 HN MET 53 7.673 8.505 -5.104 404 HA MET 53 HA MET 53 8.716 11.086 -4.162 405 HB2 MET 53 2HB MET 53 6.558 11.734 -3.648 406 HB3 MET 53 3HB MET 53 6.290 10.728 -5.065 407 HG2 MET 53 2HG MET 53 4.655 9.983 -3.640 408 HG3 MET 53 3HG MET 53 5.951 8.828 -3.336 409 HE1 MET 53 1HE MET 53 3.924 11.659 -2.447 410 HE2 MET 53 2HE MET 53 3.405 10.957 -0.915 411 HE3 MET 53 3HE MET 53 4.520 12.325 -0.927 412 H ASP 54 HN ASP 54 9.670 11.176 -2.244 413 HA ASP 54 HA ASP 54 10.265 9.080 -0.609 414 HB2 ASP 54 2HB ASP 54 11.411 11.118 -0.239 415 HB3 ASP 54 3HB ASP 54 9.913 12.002 0.036 416 H VAL 55 HN VAL 55 9.057 7.703 0.497 417 HA VAL 55 HA VAL 55 6.459 8.622 1.537 418 HB VAL 55 HB VAL 55 5.959 6.110 1.640 419 HG11 VAL 55 1HG1 VAL 55 6.304 7.420 -1.056 420 HG12 VAL 55 2HG1 VAL 55 5.236 6.065 -0.688 421 HG13 VAL 55 3HG1 VAL 55 4.935 7.647 0.033 422 HG21 VAL 55 1HG2 VAL 55 7.203 4.692 0.117 423 HG22 VAL 55 2HG2 VAL 55 8.261 6.035 -0.312 424 HG23 VAL 55 3HG2 VAL 55 8.292 5.376 1.323 425 H LEU 56 HN LEU 56 9.310 6.659 2.286 426 HA LEU 56 HA LEU 56 8.688 5.761 4.807 427 HB2 LEU 56 2HB LEU 56 11.213 6.504 3.436 428 HB3 LEU 56 3HB LEU 56 11.274 6.259 5.181 429 HG LEU 56 HG LEU 56 11.929 4.255 3.912 430 HD11 LEU 56 1HD1 LEU 56 10.891 2.781 5.329 431 HD12 LEU 56 2HD1 LEU 56 9.323 3.576 5.187 432 HD13 LEU 56 3HD1 LEU 56 10.595 4.306 6.164 433 HD21 LEU 56 1HD2 LEU 56 10.335 4.759 2.003 434 HD22 LEU 56 2HD2 LEU 56 9.066 4.067 3.013 435 HD23 LEU 56 3HD2 LEU 56 10.439 3.075 2.519 Start of MODEL 10 1 H1 ALA 1 HN ALA 1 -4.735 -3.834 0.489 2 HA ALA 1 HA ALA 1 -6.293 -2.263 -0.487 3 HB1 ALA 1 1HB ALA 1 -4.474 -2.573 -1.951 4 HB2 ALA 1 2HB ALA 1 -5.052 -4.160 -2.462 5 HB3 ALA 1 3HB ALA 1 -5.918 -2.705 -2.956 6 H THR 2 HN THR 2 -7.998 -2.069 -2.258 7 HA THR 2 HA THR 2 -9.987 -4.207 -1.873 8 HB THR 2 HB THR 2 -11.433 -2.621 -1.290 9 HG1 THR 2 1HG THR 2 -12.226 -1.274 -2.882 10 HG21 THR 2 1HG2 THR 2 -9.284 -0.625 -2.016 11 HG22 THR 2 2HG2 THR 2 -9.541 -1.354 -0.430 12 HG23 THR 2 3HG2 THR 2 -10.748 -0.258 -1.105 13 HA PRO 3 HA PRO 3 -10.187 -5.032 -6.179 14 HB2 PRO 3 2HB PRO 3 -12.840 -5.458 -6.559 15 HB3 PRO 3 3HB PRO 3 -11.797 -6.599 -5.703 16 HG2 PRO 3 2HG PRO 3 -13.661 -4.537 -4.592 17 HG3 PRO 3 3HG PRO 3 -13.402 -6.211 -4.065 18 HD2 PRO 3 2HD PRO 3 -12.294 -4.095 -2.791 19 HD3 PRO 3 3HD PRO 3 -11.495 -5.677 -2.887 20 H GLU 4 HN GLU 4 -12.248 -2.497 -4.914 21 HA GLU 4 HA GLU 4 -12.902 -1.427 -7.507 22 HB2 GLU 4 2HB GLU 4 -14.307 -1.260 -5.358 23 HB3 GLU 4 3HB GLU 4 -13.202 0.025 -4.889 24 HG2 GLU 4 2HG GLU 4 -13.937 1.447 -6.547 25 HG3 GLU 4 3HG GLU 4 -14.560 0.133 -7.542 26 H GLU 5 HN GLU 5 -10.797 -0.475 -4.810 27 HA GLU 5 HA GLU 5 -9.769 1.831 -6.129 28 HB2 GLU 5 2HB GLU 5 -8.609 0.274 -3.811 29 HB3 GLU 5 3HB GLU 5 -8.127 1.890 -4.309 30 HG2 GLU 5 2HG GLU 5 -10.967 1.331 -3.578 31 HG3 GLU 5 3HG GLU 5 -9.756 1.590 -2.324 32 H LEU 6 HN LEU 6 -8.863 -1.536 -6.001 33 HA LEU 6 HA LEU 6 -6.228 -1.264 -6.997 34 HB2 LEU 6 2HB LEU 6 -8.178 -3.476 -6.682 35 HB3 LEU 6 3HB LEU 6 -6.838 -3.728 -7.797 36 HG LEU 6 HG LEU 6 -6.471 -2.944 -4.911 37 HD11 LEU 6 1HD1 LEU 6 -6.510 -5.676 -6.177 38 HD12 LEU 6 2HD1 LEU 6 -7.570 -5.069 -4.905 39 HD13 LEU 6 3HD1 LEU 6 -5.857 -5.331 -4.575 40 HD21 LEU 6 1HD2 LEU 6 -4.309 -4.400 -6.015 41 HD22 LEU 6 2HD2 LEU 6 -4.338 -2.720 -5.476 42 HD23 LEU 6 3HD2 LEU 6 -4.726 -3.117 -7.151 43 H GLN 7 HN GLN 7 -9.257 -2.207 -8.627 44 HA GLN 7 HA GLN 7 -8.119 -2.211 -11.225 45 HB2 GLN 7 2HB GLN 7 -10.531 -3.004 -10.096 46 HB3 GLN 7 3HB GLN 7 -10.982 -1.688 -11.171 47 HG2 GLN 7 2HG GLN 7 -9.123 -3.549 -12.402 48 HG3 GLN 7 3HG GLN 7 -10.619 -4.320 -11.877 49 HE21 GLN 7 1HE2 GLN 7 -9.187 -2.947 -14.431 50 HE22 GLN 7 2HE2 GLN 7 -10.566 -2.343 -15.278 51 H ALA 8 HN ALA 8 -8.629 0.311 -9.192 52 HA ALA 8 HA ALA 8 -9.409 2.209 -11.282 53 HB1 ALA 8 1HB ALA 8 -9.903 3.749 -9.585 54 HB2 ALA 8 2HB ALA 8 -10.456 2.197 -8.956 55 HB3 ALA 8 3HB ALA 8 -8.932 2.883 -8.396 56 H MET 9 HN MET 9 -6.660 0.797 -10.515 57 HA MET 9 HA MET 9 -5.071 3.112 -11.288 58 HB2 MET 9 2HB MET 9 -3.446 2.834 -9.525 59 HB3 MET 9 3HB MET 9 -5.033 3.072 -8.805 60 HG2 MET 9 2HG MET 9 -4.915 1.144 -7.728 61 HG3 MET 9 3HG MET 9 -4.515 0.274 -9.206 62 HE1 MET 9 1HE MET 9 -2.608 -0.548 -9.887 63 HE2 MET 9 2HE MET 9 -1.375 0.704 -10.040 64 HE3 MET 9 3HE MET 9 -1.092 -0.691 -8.997 65 H ASP 10 HN ASP 10 -5.950 0.493 -12.423 66 HA ASP 10 HA ASP 10 -4.993 -0.866 -14.016 67 HB2 ASP 10 2HB ASP 10 -3.022 0.941 -13.754 68 HB3 ASP 10 3HB ASP 10 -2.209 -0.462 -13.065 69 H ASN 11 HN ASN 11 -4.300 -0.922 -10.665 70 HA ASN 11 HA ASN 11 -3.765 -2.579 -9.186 71 HB2 ASN 11 2HB ASN 11 -6.023 -3.260 -9.723 72 HB3 ASN 11 3HB ASN 11 -5.469 -4.100 -11.169 73 HD21 ASN 11 1HD2 ASN 11 -4.654 -6.126 -11.005 74 HD22 ASN 11 2HD2 ASN 11 -4.603 -7.026 -9.531 75 H VAL 12 HN VAL 12 -2.017 -2.228 -11.646 76 HA VAL 12 HA VAL 12 -0.789 -4.902 -11.699 77 HB VAL 12 HB VAL 12 -0.763 -2.631 -13.658 78 HG11 VAL 12 1HG1 VAL 12 0.956 -4.442 -14.760 79 HG12 VAL 12 2HG1 VAL 12 1.438 -2.947 -13.955 80 HG13 VAL 12 3HG1 VAL 12 1.436 -4.470 -13.063 81 HG21 VAL 12 1HG2 VAL 12 -2.473 -4.329 -13.923 82 HG22 VAL 12 2HG2 VAL 12 -1.303 -4.441 -15.239 83 HG23 VAL 12 3HG2 VAL 12 -1.249 -5.598 -13.908 84 H CYS 13 HN CYS 13 0.946 -5.175 -10.476 85 HA CYS 13 HA CYS 13 2.245 -3.095 -9.098 86 HB2 CYS 13 2HB CYS 13 2.257 -5.353 -8.225 87 HB3 CYS 13 3HB CYS 13 3.119 -5.936 -9.645 88 H ILE 14 HN ILE 14 3.528 -1.595 -9.925 89 HA ILE 14 HA ILE 14 4.681 -1.734 -12.497 90 HB ILE 14 HB ILE 14 4.131 0.352 -11.079 91 HG12 ILE 14 2HG1 ILE 14 5.067 0.551 -13.287 92 HG13 ILE 14 3HG1 ILE 14 5.943 1.650 -12.226 93 HG21 ILE 14 1HG2 ILE 14 5.984 1.272 -9.801 94 HG22 ILE 14 2HG2 ILE 14 5.491 -0.286 -9.141 95 HG23 ILE 14 3HG2 ILE 14 6.946 -0.170 -10.129 96 HD11 ILE 14 1HD1 ILE 14 7.676 0.721 -13.365 97 HD12 ILE 14 2HD1 ILE 14 7.570 -0.408 -12.013 98 HD13 ILE 14 3HD1 ILE 14 6.859 -0.829 -13.571 99 H ILE 15 HN ILE 15 6.096 -2.079 -9.256 100 HA ILE 15 HA ILE 15 8.727 -2.262 -9.645 101 HB ILE 15 HB ILE 15 7.124 -4.329 -8.135 102 HG12 ILE 15 2HG1 ILE 15 8.566 -2.046 -6.855 103 HG13 ILE 15 3HG1 ILE 15 7.019 -1.733 -7.634 104 HG21 ILE 15 1HG2 ILE 15 9.458 -4.161 -6.808 105 HG22 ILE 15 2HG2 ILE 15 9.132 -5.353 -8.064 106 HG23 ILE 15 3HG2 ILE 15 10.020 -3.881 -8.456 107 HD11 ILE 15 1HD1 ILE 15 6.084 -3.602 -6.214 108 HD12 ILE 15 2HD1 ILE 15 7.597 -3.534 -5.309 109 HD13 ILE 15 3HD1 ILE 15 6.542 -2.123 -5.372 110 H CYS 16 HN CYS 16 6.544 -5.009 -10.284 111 HA CYS 16 HA CYS 16 8.644 -6.174 -11.986 112 HB2 CYS 16 2HB CYS 16 7.457 -8.327 -11.668 113 HB3 CYS 16 3HB CYS 16 8.018 -7.634 -10.150 114 H ARG 17 HN ARG 17 5.871 -4.418 -12.175 115 HA ARG 17 HA ARG 17 4.266 -4.061 -13.760 116 HB2 ARG 17 2HB ARG 17 6.682 -4.845 -15.369 117 HB3 ARG 17 3HB ARG 17 5.172 -4.399 -16.152 118 HG2 ARG 17 2HG ARG 17 5.453 -2.317 -14.478 119 HG3 ARG 17 3HG ARG 17 7.147 -2.727 -14.751 120 HD2 ARG 17 2HD ARG 17 5.110 -2.244 -16.923 121 HD3 ARG 17 3HD ARG 17 6.279 -1.053 -16.353 122 HE ARG 17 HE ARG 17 6.782 -3.285 -18.097 123 HH11 ARG 17 1HH1 ARG 17 8.179 -1.021 -15.852 124 HH12 ARG 17 2HH1 ARG 17 9.779 -1.161 -16.503 125 HH21 ARG 17 1HH2 ARG 17 8.884 -3.479 -18.963 126 HH22 ARG 17 2HH2 ARG 17 10.178 -2.559 -18.273 127 H GLU 18 HN GLU 18 3.358 -6.138 -12.657 128 HA GLU 18 HA GLU 18 2.776 -8.060 -14.809 129 HB2 GLU 18 2HB GLU 18 3.433 -8.615 -11.925 130 HB3 GLU 18 3HB GLU 18 2.526 -9.764 -12.898 131 HG2 GLU 18 2HG GLU 18 5.322 -8.776 -13.396 132 HG3 GLU 18 3HG GLU 18 4.833 -10.394 -12.893 133 H GLU 19 HN GLU 19 1.487 -8.378 -11.602 134 HA GLU 19 HA GLU 19 -0.896 -6.868 -12.048 135 HB2 GLU 19 2HB GLU 19 -0.877 -9.362 -13.259 136 HB3 GLU 19 3HB GLU 19 -1.730 -9.644 -11.748 137 HG2 GLU 19 2HG GLU 19 -3.187 -7.680 -12.335 138 HG3 GLU 19 3HG GLU 19 -2.439 -7.707 -13.931 139 H MET 20 HN MET 20 -2.301 -6.861 -10.229 140 HA MET 20 HA MET 20 -1.195 -8.168 -7.832 141 HB2 MET 20 2HB MET 20 -2.155 -5.332 -8.168 142 HB3 MET 20 3HB MET 20 -2.032 -6.097 -6.589 143 HG2 MET 20 2HG MET 20 0.339 -6.412 -6.878 144 HG3 MET 20 3HG MET 20 0.252 -5.780 -8.521 145 HE1 MET 20 1HE MET 20 -1.318 -2.340 -7.770 146 HE2 MET 20 2HE MET 20 0.126 -2.562 -8.759 147 HE3 MET 20 3HE MET 20 -1.202 -3.718 -8.866 148 H VAL 21 HN VAL 21 -3.012 -9.621 -8.926 149 HA VAL 21 HA VAL 21 -5.709 -9.039 -8.674 150 HB VAL 21 HB VAL 21 -5.854 -11.626 -8.176 151 HG11 VAL 21 1HG1 VAL 21 -6.459 -11.615 -10.312 152 HG12 VAL 21 2HG1 VAL 21 -5.718 -10.024 -10.491 153 HG13 VAL 21 3HG1 VAL 21 -4.776 -11.479 -10.820 154 HG21 VAL 21 1HG2 VAL 21 -3.957 -12.896 -8.666 155 HG22 VAL 21 2HG2 VAL 21 -3.112 -11.529 -9.391 156 HG23 VAL 21 3HG2 VAL 21 -3.339 -11.599 -7.643 157 H THR 22 HN THR 22 -3.416 -10.135 -6.241 158 HA THR 22 HA THR 22 -5.018 -9.146 -4.111 159 HB THR 22 HB THR 22 -6.353 -11.081 -4.268 160 HG1 THR 22 1HG THR 22 -5.677 -12.287 -2.362 161 HG21 THR 22 1HG2 THR 22 -5.455 -13.352 -4.455 162 HG22 THR 22 2HG2 THR 22 -3.815 -12.702 -4.500 163 HG23 THR 22 3HG2 THR 22 -4.940 -12.351 -5.811 164 H GLY 23 HN GLY 23 -4.024 -9.629 -1.957 165 HA2 GLY 23 1HA GLY 23 -2.205 -9.829 -0.561 166 HA3 GLY 23 2HA GLY 23 -1.414 -10.766 -1.820 167 H ALA 24 HN ALA 24 -2.442 -7.388 -1.301 168 HA ALA 24 HA ALA 24 0.277 -6.482 -1.739 169 HB1 ALA 24 1HB ALA 24 -0.972 -6.714 -4.000 170 HB2 ALA 24 2HB ALA 24 -1.804 -5.244 -3.491 171 HB3 ALA 24 3HB ALA 24 -0.049 -5.249 -3.666 172 H LYS 25 HN LYS 25 0.544 -4.184 -1.285 173 HA LYS 25 HA LYS 25 -1.529 -3.207 0.564 174 HB2 LYS 25 2HB LYS 25 1.351 -2.328 0.571 175 HB3 LYS 25 3HB LYS 25 0.158 -2.168 1.854 176 HG2 LYS 25 2HG LYS 25 1.252 -4.800 0.887 177 HG3 LYS 25 3HG LYS 25 1.888 -3.903 2.267 178 HD2 LYS 25 2HD LYS 25 -1.008 -4.284 2.351 179 HD3 LYS 25 3HD LYS 25 -0.095 -5.795 2.370 180 HE2 LYS 25 2HE LYS 25 -0.086 -5.376 4.600 181 HE3 LYS 25 3HE LYS 25 1.336 -4.433 4.158 182 HZ1 LYS 25 1HZ LYS 25 -1.378 -3.252 4.272 183 HZ2 LYS 25 2HZ LYS 25 0.109 -2.447 4.229 184 HZ3 LYS 25 3HZ LYS 25 -0.352 -3.295 5.617 185 H ARG 26 HN ARG 26 -1.224 -0.686 0.863 186 HA ARG 26 HA ARG 26 -1.034 0.525 -1.816 187 HB2 ARG 26 2HB ARG 26 -3.385 0.298 -1.164 188 HB3 ARG 26 3HB ARG 26 -3.061 1.158 0.336 189 HG2 ARG 26 2HG ARG 26 -2.564 3.178 -0.871 190 HG3 ARG 26 3HG ARG 26 -2.717 2.334 -2.412 191 HD2 ARG 26 2HD ARG 26 -5.008 2.290 -0.507 192 HD3 ARG 26 3HD ARG 26 -4.703 3.757 -1.438 193 HE ARG 26 HE ARG 26 -5.713 1.248 -2.427 194 HH11 ARG 26 1HH1 ARG 26 -4.104 4.226 -3.243 195 HH12 ARG 26 2HH1 ARG 26 -4.573 4.174 -4.910 196 HH21 ARG 26 1HH2 ARG 26 -6.337 1.169 -4.619 197 HH22 ARG 26 2HH2 ARG 26 -5.844 2.435 -5.692 198 H LEU 27 HN LEU 27 -0.322 2.687 -1.908 199 HA LEU 27 HA LEU 27 1.242 3.497 0.440 200 HB2 LEU 27 2HB LEU 27 1.482 4.164 -2.483 201 HB3 LEU 27 3HB LEU 27 2.400 4.998 -1.232 202 HG LEU 27 HG LEU 27 2.567 2.050 -1.855 203 HD11 LEU 27 1HD1 LEU 27 3.531 3.915 -3.458 204 HD12 LEU 27 2HD1 LEU 27 4.434 2.444 -3.102 205 HD13 LEU 27 3HD1 LEU 27 4.822 3.941 -2.257 206 HD21 LEU 27 1HD2 LEU 27 4.599 2.221 -0.379 207 HD22 LEU 27 2HD2 LEU 27 3.047 2.360 0.447 208 HD23 LEU 27 3HD2 LEU 27 4.006 3.805 0.122 209 HA PRO 28 HA PRO 28 -1.242 7.036 1.204 210 HB2 PRO 28 2HB PRO 28 0.620 8.789 2.116 211 HB3 PRO 28 3HB PRO 28 0.063 7.400 3.059 212 HG2 PRO 28 2HG PRO 28 2.546 7.700 1.414 213 HG3 PRO 28 3HG PRO 28 2.349 6.974 3.019 214 HD2 PRO 28 2HD PRO 28 2.527 5.491 0.761 215 HD3 PRO 28 3HD PRO 28 1.560 4.986 2.161 216 H CYS 29 HN CYS 29 0.821 6.858 -1.354 217 HA CYS 29 HA CYS 29 0.343 9.637 -2.195 218 HB2 CYS 29 2HB CYS 29 2.093 9.046 -3.975 219 HB3 CYS 29 3HB CYS 29 2.659 9.229 -2.318 220 H ASN 30 HN ASN 30 -1.055 6.723 -2.458 221 HA ASN 30 HA ASN 30 -2.811 6.074 -3.796 222 HB2 ASN 30 2HB ASN 30 -2.762 8.634 -4.464 223 HB3 ASN 30 3HB ASN 30 -2.090 8.001 -5.963 224 HD21 ASN 30 1HD2 ASN 30 -3.938 8.731 -7.067 225 HD22 ASN 30 2HD2 ASN 30 -5.432 7.867 -6.981 226 H HIS 31 HN HIS 31 -0.611 4.609 -3.764 227 HA HIS 31 HA HIS 31 -0.485 3.560 -6.464 228 HB2 HIS 31 2HB HIS 31 2.015 4.414 -4.989 229 HB3 HIS 31 3HB HIS 31 1.989 3.483 -6.484 230 HD2 HIS 31 2HD HIS 31 0.271 5.135 -8.483 231 HE1 HIS 31 1HE HIS 31 2.289 8.610 -7.123 232 HE2 HIS 31 2HE HIS 31 0.798 7.632 -8.903 233 H ILE 32 HN ILE 32 -0.805 1.451 -6.296 234 HA ILE 32 HA ILE 32 -0.090 0.101 -3.791 235 HB ILE 32 HB ILE 32 -1.990 -0.690 -5.997 236 HG12 ILE 32 2HG1 ILE 32 -2.492 -0.113 -3.070 237 HG13 ILE 32 3HG1 ILE 32 -2.735 1.054 -4.365 238 HG21 ILE 32 1HG2 ILE 32 -0.585 -2.346 -4.120 239 HG22 ILE 32 2HG2 ILE 32 -2.317 -2.397 -3.798 240 HG23 ILE 32 3HG2 ILE 32 -1.705 -2.810 -5.400 241 HD11 ILE 32 1HD1 ILE 32 -4.343 -0.608 -5.378 242 HD12 ILE 32 2HD1 ILE 32 -4.238 -1.490 -3.853 243 HD13 ILE 32 3HD1 ILE 32 -4.851 0.164 -3.876 244 H PHE 33 HN PHE 33 1.291 -1.602 -3.721 245 HA PHE 33 HA PHE 33 2.259 -2.795 -6.192 246 HB2 PHE 33 2HB PHE 33 4.188 -1.567 -4.214 247 HB3 PHE 33 3HB PHE 33 4.592 -2.364 -5.730 248 HD1 PHE 33 1HD PHE 33 3.769 0.722 -4.141 249 HD2 PHE 33 2HD PHE 33 3.788 -1.294 -7.889 250 HE1 PHE 33 1HE PHE 33 3.650 2.888 -5.302 251 HE2 PHE 33 2HE PHE 33 3.670 0.868 -9.056 252 HZ PHE 33 HZ PHE 33 3.602 2.962 -7.764 253 H HIS 34 HN HIS 34 3.025 -4.865 -5.945 254 HA HIS 34 HA HIS 34 2.085 -6.548 -4.085 255 HB2 HIS 34 2HB HIS 34 4.724 -6.643 -5.534 256 HB3 HIS 34 3HB HIS 34 4.198 -7.958 -4.486 257 HD2 HIS 34 2HD HIS 34 1.081 -8.162 -5.484 258 HE1 HIS 34 1HE HIS 34 2.791 -8.705 -9.328 259 HE2 HIS 34 2HE HIS 34 0.702 -8.896 -7.935 260 H THR 35 HN THR 35 2.615 -7.342 -2.075 261 HA THR 35 HA THR 35 3.999 -5.553 -0.331 262 HB THR 35 HB THR 35 3.152 -8.353 0.391 263 HG1 THR 35 1HG THR 35 1.098 -7.430 0.861 264 HG21 THR 35 1HG2 THR 35 2.877 -5.959 2.146 265 HG22 THR 35 2HG2 THR 35 4.481 -6.651 1.907 266 HG23 THR 35 3HG2 THR 35 3.183 -7.642 2.574 267 H SER 36 HN SER 36 4.934 -8.249 -2.214 268 HA SER 36 HA SER 36 7.304 -8.779 -0.593 269 HB2 SER 36 2HB SER 36 6.783 -10.160 -3.195 270 HB3 SER 36 3HB SER 36 7.517 -10.789 -1.721 271 HG SER 36 HG SER 36 5.332 -11.540 -2.187 272 H CYS 37 HN CYS 37 6.329 -7.034 -3.375 273 HA CYS 37 HA CYS 37 8.990 -6.897 -4.522 274 HB2 CYS 37 2HB CYS 37 6.383 -5.561 -5.271 275 HB3 CYS 37 3HB CYS 37 7.892 -5.326 -6.146 276 H LEU 38 HN LEU 38 6.957 -5.053 -2.402 277 HA LEU 38 HA LEU 38 8.404 -2.592 -2.652 278 HB2 LEU 38 2HB LEU 38 6.297 -3.639 -0.808 279 HB3 LEU 38 3HB LEU 38 7.155 -2.152 -0.409 280 HG LEU 38 HG LEU 38 5.482 -2.634 -2.874 281 HD11 LEU 38 1HD1 LEU 38 4.096 -0.805 -1.813 282 HD12 LEU 38 2HD1 LEU 38 5.008 -1.100 -0.333 283 HD13 LEU 38 3HD1 LEU 38 4.027 -2.387 -1.034 284 HD21 LEU 38 1HD2 LEU 38 6.061 0.106 -2.410 285 HD22 LEU 38 2HD2 LEU 38 6.500 -0.893 -3.795 286 HD23 LEU 38 3HD2 LEU 38 7.583 -0.785 -2.407 287 H ARG 39 HN ARG 39 8.444 -5.332 -0.429 288 HA ARG 39 HA ARG 39 10.139 -4.279 1.524 289 HB2 ARG 39 2HB ARG 39 10.686 -6.654 2.039 290 HB3 ARG 39 3HB ARG 39 8.960 -6.341 1.915 291 HG2 ARG 39 2HG ARG 39 9.009 -7.235 -0.392 292 HG3 ARG 39 3HG ARG 39 10.710 -7.644 -0.159 293 HD2 ARG 39 2HD ARG 39 8.560 -8.629 1.694 294 HD3 ARG 39 3HD ARG 39 8.986 -9.493 0.217 295 HE ARG 39 HE ARG 39 11.333 -9.006 1.658 296 HH11 ARG 39 1HH1 ARG 39 8.402 -10.868 1.918 297 HH12 ARG 39 2HH1 ARG 39 9.129 -12.124 2.865 298 HH21 ARG 39 1HH2 ARG 39 12.302 -10.653 2.905 299 HH22 ARG 39 2HH2 ARG 39 11.347 -11.999 3.427 300 H SER 40 HN SER 40 10.943 -6.198 -1.365 301 HA SER 40 HA SER 40 13.770 -5.926 -0.939 302 HB2 SER 40 2HB SER 40 12.108 -7.571 -2.508 303 HB3 SER 40 3HB SER 40 13.100 -6.662 -3.648 304 HG SER 40 HG SER 40 14.180 -8.538 -3.017 305 H TRP 41 HN TRP 41 11.342 -4.018 -2.377 306 HA TRP 41 HA TRP 41 13.026 -2.667 -4.273 307 HB2 TRP 41 2HB TRP 41 10.698 -2.743 -4.786 308 HB3 TRP 41 3HB TRP 41 10.260 -2.104 -3.204 309 HD1 TRP 41 1HD TRP 41 10.186 0.495 -2.926 310 HE1 TRP 41 1HE TRP 41 10.497 2.471 -4.545 311 HE3 TRP 41 3HE TRP 41 12.106 -2.034 -6.933 312 HZ2 TRP 41 2HZ TRP 41 11.433 2.901 -7.173 313 HZ3 TRP 41 3HZ TRP 41 12.683 -0.765 -8.961 314 HH2 TRP 41 2HH TRP 41 12.352 1.651 -9.077 315 H PHE 42 HN PHE 42 11.477 -1.677 -1.215 316 HA PHE 42 HA PHE 42 12.906 0.777 -1.060 317 HB2 PHE 42 2HB PHE 42 11.164 -0.780 0.817 318 HB3 PHE 42 3HB PHE 42 12.100 0.581 1.427 319 HD1 PHE 42 1HD PHE 42 8.959 -0.167 0.669 320 HD2 PHE 42 2HD PHE 42 11.955 2.565 -0.626 321 HE1 PHE 42 1HE PHE 42 7.209 1.376 -0.110 322 HE2 PHE 42 2HE PHE 42 10.210 4.114 -1.406 323 HZ PHE 42 HZ PHE 42 7.833 3.522 -1.148 324 H GLN 43 HN GLN 43 13.744 -2.441 -0.377 325 HA GLN 43 HA GLN 43 15.446 -2.256 1.798 326 HB2 GLN 43 2HB GLN 43 15.163 -4.056 -0.517 327 HB3 GLN 43 3HB GLN 43 16.761 -4.045 0.217 328 HG2 GLN 43 2HG GLN 43 14.637 -4.207 2.188 329 HG3 GLN 43 3HG GLN 43 14.596 -5.537 1.030 330 HE21 GLN 43 1HE2 GLN 43 15.668 -7.244 1.681 331 HE22 GLN 43 2HE2 GLN 43 17.097 -7.250 2.653 332 H ARG 44 HN ARG 44 15.937 -1.240 -1.511 333 HA ARG 44 HA ARG 44 18.579 -0.189 -0.736 334 HB2 ARG 44 2HB ARG 44 17.801 -1.094 -3.510 335 HB3 ARG 44 3HB ARG 44 19.393 -0.579 -2.968 336 HG2 ARG 44 2HG ARG 44 19.595 -2.533 -1.568 337 HG3 ARG 44 3HG ARG 44 17.950 -3.028 -1.976 338 HD2 ARG 44 2HD ARG 44 18.761 -4.155 -3.709 339 HD3 ARG 44 3HD ARG 44 19.289 -2.628 -4.415 340 HE ARG 44 HE ARG 44 21.191 -3.469 -2.530 341 HH11 ARG 44 1HH1 ARG 44 19.949 -4.352 -5.660 342 HH12 ARG 44 2HH1 ARG 44 21.430 -5.078 -6.188 343 HH21 ARG 44 1HH2 ARG 44 23.147 -4.422 -3.214 344 HH22 ARG 44 2HH2 ARG 44 23.249 -5.118 -4.795 345 H GLN 45 HN GLN 45 15.481 0.417 -2.046 346 HA GLN 45 HA GLN 45 16.312 3.110 -2.900 347 HB2 GLN 45 2HB GLN 45 14.430 1.164 -4.002 348 HB3 GLN 45 3HB GLN 45 13.733 2.768 -3.824 349 HG2 GLN 45 2HG GLN 45 14.660 2.530 -6.025 350 HG3 GLN 45 3HG GLN 45 15.608 3.701 -5.110 351 HE21 GLN 45 1HE2 GLN 45 15.515 0.322 -6.117 352 HE22 GLN 45 2HE2 GLN 45 17.229 0.104 -6.172 353 H GLN 46 HN GLN 46 14.629 4.819 -2.556 354 HA GLN 46 HA GLN 46 12.989 4.354 -0.173 355 HB2 GLN 46 2HB GLN 46 15.256 5.366 0.407 356 HB3 GLN 46 3HB GLN 46 14.717 6.807 -0.446 357 HG2 GLN 46 2HG GLN 46 12.957 7.168 1.101 358 HG3 GLN 46 3HG GLN 46 13.203 5.589 1.844 359 HE21 GLN 46 1HE2 GLN 46 14.277 8.860 1.644 360 HE22 GLN 46 2HE2 GLN 46 15.409 8.795 2.948 361 H THR 47 HN THR 47 12.742 4.955 -3.195 362 HA THR 47 HA THR 47 10.726 7.077 -2.875 363 HB THR 47 HB THR 47 11.611 7.097 -5.570 364 HG1 THR 47 1HG THR 47 13.688 6.775 -5.405 365 HG21 THR 47 1HG2 THR 47 10.694 8.918 -3.928 366 HG22 THR 47 2HG2 THR 47 11.797 9.376 -5.227 367 HG23 THR 47 3HG2 THR 47 12.402 9.185 -3.582 368 H CYS 48 HN CYS 48 8.848 6.874 -4.104 369 HA CYS 48 HA CYS 48 7.819 4.347 -4.499 370 HB2 CYS 48 2HB CYS 48 6.808 6.873 -4.633 371 HB3 CYS 48 3HB CYS 48 6.752 6.399 -6.328 372 HA PRO 49 HA PRO 49 9.720 2.892 -8.204 373 HB2 PRO 49 2HB PRO 49 7.958 0.910 -8.786 374 HB3 PRO 49 3HB PRO 49 9.146 0.788 -7.483 375 HG2 PRO 49 2HG PRO 49 6.239 1.489 -7.337 376 HG3 PRO 49 3HG PRO 49 7.187 0.424 -6.282 377 HD2 PRO 49 2HD PRO 49 6.557 2.968 -5.600 378 HD3 PRO 49 3HD PRO 49 8.066 2.186 -5.084 379 H THR 50 HN THR 50 6.971 4.694 -8.071 380 HA THR 50 HA THR 50 6.725 4.714 -11.001 381 HB THR 50 HB THR 50 4.789 3.503 -9.974 382 HG1 THR 50 1HG THR 50 4.652 5.746 -11.599 383 HG21 THR 50 1HG2 THR 50 3.158 4.681 -8.685 384 HG22 THR 50 2HG2 THR 50 4.010 6.211 -8.898 385 HG23 THR 50 3HG2 THR 50 4.721 4.934 -7.910 386 H CYS 51 HN CYS 51 5.855 6.457 -8.018 387 HA CYS 51 HA CYS 51 6.098 8.989 -9.481 388 HB2 CYS 51 2HB CYS 51 4.772 9.995 -7.807 389 HB3 CYS 51 3HB CYS 51 4.029 8.424 -8.089 390 H ARG 52 HN ARG 52 7.969 6.986 -7.664 391 HA ARG 52 HA ARG 52 9.713 7.279 -6.172 392 HB2 ARG 52 2HB ARG 52 10.217 9.047 -8.544 393 HB3 ARG 52 3HB ARG 52 11.399 8.938 -7.246 394 HG2 ARG 52 2HG ARG 52 11.213 6.384 -7.619 395 HG3 ARG 52 3HG ARG 52 10.512 6.837 -9.174 396 HD2 ARG 52 2HD ARG 52 12.616 8.394 -9.315 397 HD3 ARG 52 3HD ARG 52 13.277 7.263 -8.135 398 HE ARG 52 HE ARG 52 12.861 6.793 -10.927 399 HH11 ARG 52 1HH1 ARG 52 13.012 5.278 -7.795 400 HH12 ARG 52 2HH1 ARG 52 13.457 3.725 -8.424 401 HH21 ARG 52 1HH2 ARG 52 13.446 4.755 -11.765 402 HH22 ARG 52 2HH2 ARG 52 13.704 3.430 -10.682 403 H MET 53 HN MET 53 7.999 8.351 -4.694 404 HA MET 53 HA MET 53 8.987 11.036 -4.000 405 HB2 MET 53 2HB MET 53 6.715 11.144 -4.978 406 HB3 MET 53 3HB MET 53 6.141 10.055 -3.722 407 HG2 MET 53 2HG MET 53 7.072 11.844 -2.097 408 HG3 MET 53 3HG MET 53 7.004 12.902 -3.504 409 HE1 MET 53 1HE MET 53 4.529 10.427 -1.301 410 HE2 MET 53 2HE MET 53 5.481 11.704 -0.545 411 HE3 MET 53 3HE MET 53 3.731 11.874 -0.687 412 H ASP 54 HN ASP 54 10.038 10.953 -2.136 413 HA ASP 54 HA ASP 54 10.389 8.965 -0.389 414 HB2 ASP 54 2HB ASP 54 11.580 10.975 -0.002 415 HB3 ASP 54 3HB ASP 54 10.098 11.908 0.193 416 H VAL 55 HN VAL 55 9.159 7.695 0.819 417 HA VAL 55 HA VAL 55 6.547 8.716 1.728 418 HB VAL 55 HB VAL 55 5.822 6.295 1.722 419 HG11 VAL 55 1HG1 VAL 55 6.342 6.718 -1.094 420 HG12 VAL 55 2HG1 VAL 55 4.815 6.765 -0.209 421 HG13 VAL 55 3HG1 VAL 55 5.832 8.204 -0.293 422 HG21 VAL 55 1HG2 VAL 55 7.079 4.793 0.200 423 HG22 VAL 55 2HG2 VAL 55 8.364 5.999 0.123 424 HG23 VAL 55 3HG2 VAL 55 7.978 5.219 1.656 425 H LEU 56 HN LEU 56 9.384 6.805 2.514 426 HA LEU 56 HA LEU 56 8.434 6.282 5.211 427 HB2 LEU 56 2HB LEU 56 9.606 4.450 4.568 428 HB3 LEU 56 3HB LEU 56 10.678 5.371 3.515 429 HG LEU 56 HG LEU 56 12.107 5.943 5.294 430 HD11 LEU 56 1HD1 LEU 56 11.271 6.471 7.276 431 HD12 LEU 56 2HD1 LEU 56 11.012 4.756 7.596 432 HD13 LEU 56 3HD1 LEU 56 9.728 5.720 6.867 433 HD21 LEU 56 1HD2 LEU 56 12.645 3.763 4.706 434 HD22 LEU 56 2HD2 LEU 56 11.162 3.103 5.394 435 HD23 LEU 56 3HD2 LEU 56 12.454 3.663 6.456 Start of MODEL 11 1 H1 ALA 1 HN ALA 1 -3.893 -3.804 0.214 2 HA ALA 1 HA ALA 1 -5.743 -2.182 -0.440 3 HB1 ALA 1 1HB ALA 1 -5.166 -3.479 -2.972 4 HB2 ALA 1 2HB ALA 1 -4.710 -1.878 -2.391 5 HB3 ALA 1 3HB ALA 1 -3.725 -3.280 -1.974 6 H THR 2 HN THR 2 -7.502 -2.070 -2.130 7 HA THR 2 HA THR 2 -9.216 -4.459 -1.916 8 HB THR 2 HB THR 2 -10.863 -3.172 -1.153 9 HG1 THR 2 1HG THR 2 -11.641 -1.421 -2.467 10 HG21 THR 2 1HG2 THR 2 -9.189 -0.697 -1.501 11 HG22 THR 2 2HG2 THR 2 -8.857 -1.882 -0.236 12 HG23 THR 2 3HG2 THR 2 -10.405 -1.037 -0.270 13 HA PRO 3 HA PRO 3 -9.661 -4.734 -6.273 14 HB2 PRO 3 2HB PRO 3 -12.327 -5.108 -6.628 15 HB3 PRO 3 3HB PRO 3 -11.266 -6.345 -5.944 16 HG2 PRO 3 2HG PRO 3 -13.090 -4.428 -4.545 17 HG3 PRO 3 3HG PRO 3 -12.825 -6.153 -4.229 18 HD2 PRO 3 2HD PRO 3 -11.673 -4.205 -2.742 19 HD3 PRO 3 3HD PRO 3 -10.885 -5.766 -3.046 20 H GLU 4 HN GLU 4 -11.613 -2.337 -4.644 21 HA GLU 4 HA GLU 4 -12.484 -0.992 -7.010 22 HB2 GLU 4 2HB GLU 4 -13.810 -0.717 -5.048 23 HB3 GLU 4 3HB GLU 4 -12.422 -0.201 -4.101 24 HG2 GLU 4 2HG GLU 4 -12.816 1.911 -4.609 25 HG3 GLU 4 3HG GLU 4 -12.717 1.548 -6.331 26 H GLU 5 HN GLU 5 -9.960 -0.350 -4.590 27 HA GLU 5 HA GLU 5 -8.969 1.958 -5.954 28 HB2 GLU 5 2HB GLU 5 -7.842 0.268 -3.722 29 HB3 GLU 5 3HB GLU 5 -7.027 1.692 -4.354 30 HG2 GLU 5 2HG GLU 5 -9.736 2.351 -3.738 31 HG3 GLU 5 3HG GLU 5 -8.992 1.559 -2.351 32 H LEU 6 HN LEU 6 -8.224 -1.458 -5.966 33 HA LEU 6 HA LEU 6 -5.717 -1.303 -7.263 34 HB2 LEU 6 2HB LEU 6 -7.758 -3.427 -6.829 35 HB3 LEU 6 3HB LEU 6 -6.487 -3.709 -8.017 36 HG LEU 6 HG LEU 6 -5.924 -2.987 -5.147 37 HD11 LEU 6 1HD1 LEU 6 -6.055 -5.731 -6.392 38 HD12 LEU 6 2HD1 LEU 6 -7.200 -5.073 -5.222 39 HD13 LEU 6 3HD1 LEU 6 -5.524 -5.354 -4.753 40 HD21 LEU 6 1HD2 LEU 6 -4.065 -2.547 -6.567 41 HD22 LEU 6 2HD2 LEU 6 -4.265 -4.083 -7.411 42 HD23 LEU 6 3HD2 LEU 6 -3.734 -4.063 -5.728 43 H GLN 7 HN GLN 7 -9.024 -1.646 -8.476 44 HA GLN 7 HA GLN 7 -8.287 -1.924 -11.206 45 HB2 GLN 7 2HB GLN 7 -10.624 -2.184 -9.765 46 HB3 GLN 7 3HB GLN 7 -10.917 -0.738 -10.722 47 HG2 GLN 7 2HG GLN 7 -9.967 -3.333 -11.902 48 HG3 GLN 7 3HG GLN 7 -11.669 -2.895 -11.750 49 HE21 GLN 7 1HE2 GLN 7 -12.085 -0.569 -12.602 50 HE22 GLN 7 2HE2 GLN 7 -11.420 -0.240 -14.162 51 H ALA 8 HN ALA 8 -8.482 0.755 -9.089 52 HA ALA 8 HA ALA 8 -8.892 2.740 -11.143 53 HB1 ALA 8 1HB ALA 8 -9.682 3.064 -8.822 54 HB2 ALA 8 2HB ALA 8 -8.001 3.129 -8.289 55 HB3 ALA 8 3HB ALA 8 -8.628 4.363 -9.381 56 H MET 9 HN MET 9 -6.414 0.786 -10.720 57 HA MET 9 HA MET 9 -4.519 2.673 -11.833 58 HB2 MET 9 2HB MET 9 -2.747 2.167 -10.235 59 HB3 MET 9 3HB MET 9 -4.129 2.883 -9.416 60 HG2 MET 9 2HG MET 9 -4.549 1.033 -8.213 61 HG3 MET 9 3HG MET 9 -4.112 -0.053 -9.531 62 HE1 MET 9 1HE MET 9 -2.014 -1.327 -9.685 63 HE2 MET 9 2HE MET 9 -1.281 0.136 -10.344 64 HE3 MET 9 3HE MET 9 -0.445 -0.782 -9.091 65 H ASP 10 HN ASP 10 -5.940 0.354 -12.800 66 HA ASP 10 HA ASP 10 -5.572 -1.477 -14.098 67 HB2 ASP 10 2HB ASP 10 -2.675 -0.618 -13.917 68 HB3 ASP 10 3HB ASP 10 -3.332 -1.777 -15.069 69 H ASN 11 HN ASN 11 -4.879 -1.322 -11.002 70 HA ASN 11 HA ASN 11 -3.971 -2.721 -9.398 71 HB2 ASN 11 2HB ASN 11 -5.246 -4.707 -9.227 72 HB3 ASN 11 3HB ASN 11 -6.285 -3.564 -10.074 73 HD21 ASN 11 1HD2 ASN 11 -4.628 -6.548 -10.217 74 HD22 ASN 11 2HD2 ASN 11 -5.131 -7.012 -11.804 75 H VAL 12 HN VAL 12 -2.117 -2.354 -11.518 76 HA VAL 12 HA VAL 12 -0.850 -5.015 -11.625 77 HB VAL 12 HB VAL 12 -0.942 -2.809 -13.643 78 HG11 VAL 12 1HG1 VAL 12 0.956 -3.960 -14.824 79 HG12 VAL 12 2HG1 VAL 12 1.408 -3.057 -13.377 80 HG13 VAL 12 3HG1 VAL 12 1.278 -4.815 -13.316 81 HG21 VAL 12 1HG2 VAL 12 -0.792 -5.464 -14.688 82 HG22 VAL 12 2HG2 VAL 12 -2.003 -5.410 -13.407 83 HG23 VAL 12 3HG2 VAL 12 -2.122 -4.309 -14.779 84 H CYS 13 HN CYS 13 1.019 -5.226 -10.588 85 HA CYS 13 HA CYS 13 2.177 -3.058 -9.161 86 HB2 CYS 13 2HB CYS 13 2.272 -5.333 -8.290 87 HB3 CYS 13 3HB CYS 13 3.219 -5.850 -9.681 88 H ILE 14 HN ILE 14 3.409 -1.521 -9.997 89 HA ILE 14 HA ILE 14 4.540 -1.621 -12.578 90 HB ILE 14 HB ILE 14 3.949 0.440 -11.126 91 HG12 ILE 14 2HG1 ILE 14 4.800 0.691 -13.358 92 HG13 ILE 14 3HG1 ILE 14 5.691 1.799 -12.321 93 HG21 ILE 14 1HG2 ILE 14 6.805 -0.003 -10.267 94 HG22 ILE 14 2HG2 ILE 14 5.822 1.417 -9.914 95 HG23 ILE 14 3HG2 ILE 14 5.384 -0.150 -9.234 96 HD11 ILE 14 1HD1 ILE 14 6.609 -0.693 -13.665 97 HD12 ILE 14 2HD1 ILE 14 7.367 0.898 -13.596 98 HD13 ILE 14 3HD1 ILE 14 7.403 -0.157 -12.184 99 H ILE 15 HN ILE 15 6.000 -1.943 -9.355 100 HA ILE 15 HA ILE 15 8.628 -2.039 -9.755 101 HB ILE 15 HB ILE 15 7.099 -4.190 -8.287 102 HG12 ILE 15 2HG1 ILE 15 8.479 -1.896 -6.961 103 HG13 ILE 15 3HG1 ILE 15 6.919 -1.610 -7.726 104 HG21 ILE 15 1HG2 ILE 15 9.521 -3.833 -7.019 105 HG22 ILE 15 2HG2 ILE 15 9.087 -5.176 -8.075 106 HG23 ILE 15 3HG2 ILE 15 9.939 -3.779 -8.731 107 HD11 ILE 15 1HD1 ILE 15 7.594 -3.252 -5.343 108 HD12 ILE 15 2HD1 ILE 15 6.277 -2.104 -5.592 109 HD13 ILE 15 3HD1 ILE 15 6.203 -3.704 -6.329 110 H CYS 16 HN CYS 16 6.541 -4.846 -10.448 111 HA CYS 16 HA CYS 16 8.666 -5.881 -12.205 112 HB2 CYS 16 2HB CYS 16 7.600 -8.099 -11.900 113 HB3 CYS 16 3HB CYS 16 8.164 -7.404 -10.384 114 H ARG 17 HN ARG 17 5.804 -4.267 -12.298 115 HA ARG 17 HA ARG 17 4.143 -3.969 -13.835 116 HB2 ARG 17 2HB ARG 17 6.564 -4.586 -15.506 117 HB3 ARG 17 3HB ARG 17 5.014 -4.232 -16.258 118 HG2 ARG 17 2HG ARG 17 5.193 -2.153 -14.564 119 HG3 ARG 17 3HG ARG 17 6.904 -2.448 -14.880 120 HD2 ARG 17 2HD ARG 17 5.740 -2.625 -17.378 121 HD3 ARG 17 3HD ARG 17 4.854 -1.313 -16.602 122 HE ARG 17 HE ARG 17 6.744 -0.020 -16.702 123 HH11 ARG 17 1HH1 ARG 17 7.587 -3.342 -17.315 124 HH12 ARG 17 2HH1 ARG 17 9.216 -2.979 -17.783 125 HH21 ARG 17 1HH2 ARG 17 8.886 0.471 -17.316 126 HH22 ARG 17 2HH2 ARG 17 9.953 -0.810 -17.782 127 H GLU 18 HN GLU 18 3.370 -6.109 -12.750 128 HA GLU 18 HA GLU 18 2.912 -8.067 -14.904 129 HB2 GLU 18 2HB GLU 18 3.472 -8.513 -11.985 130 HB3 GLU 18 3HB GLU 18 2.611 -9.716 -12.935 131 HG2 GLU 18 2HG GLU 18 5.376 -8.670 -13.499 132 HG3 GLU 18 3HG GLU 18 4.980 -10.233 -12.787 133 H GLU 19 HN GLU 19 1.478 -8.315 -11.747 134 HA GLU 19 HA GLU 19 -0.916 -6.897 -12.300 135 HB2 GLU 19 2HB GLU 19 -0.806 -9.295 -13.633 136 HB3 GLU 19 3HB GLU 19 -1.648 -9.734 -12.154 137 HG2 GLU 19 2HG GLU 19 -3.461 -8.417 -12.626 138 HG3 GLU 19 3HG GLU 19 -2.536 -7.322 -13.652 139 H MET 20 HN MET 20 -2.411 -6.963 -10.560 140 HA MET 20 HA MET 20 -1.451 -8.370 -8.159 141 HB2 MET 20 2HB MET 20 -2.118 -5.479 -8.521 142 HB3 MET 20 3HB MET 20 -2.453 -6.239 -6.970 143 HG2 MET 20 2HG MET 20 -0.151 -6.807 -6.676 144 HG3 MET 20 3HG MET 20 0.238 -6.276 -8.310 145 HE1 MET 20 1HE MET 20 -0.608 -4.067 -9.117 146 HE2 MET 20 2HE MET 20 -1.520 -3.003 -8.045 147 HE3 MET 20 3HE MET 20 0.174 -2.659 -8.398 148 H VAL 21 HN VAL 21 -2.960 -9.893 -7.856 149 HA VAL 21 HA VAL 21 -5.791 -9.161 -8.151 150 HB VAL 21 HB VAL 21 -6.099 -11.712 -7.927 151 HG11 VAL 21 1HG1 VAL 21 -5.893 -12.003 -10.275 152 HG12 VAL 21 2HG1 VAL 21 -6.324 -10.313 -10.006 153 HG13 VAL 21 3HG1 VAL 21 -4.658 -10.749 -10.388 154 HG21 VAL 21 1HG2 VAL 21 -3.833 -12.186 -7.118 155 HG22 VAL 21 2HG2 VAL 21 -4.189 -13.063 -8.607 156 HG23 VAL 21 3HG2 VAL 21 -3.172 -11.623 -8.653 157 H THR 22 HN THR 22 -3.382 -9.926 -5.840 158 HA THR 22 HA THR 22 -4.908 -9.241 -3.624 159 HB THR 22 HB THR 22 -6.236 -11.215 -3.927 160 HG1 THR 22 1HG THR 22 -5.987 -12.011 -1.904 161 HG21 THR 22 1HG2 THR 22 -3.637 -12.436 -4.560 162 HG22 THR 22 2HG2 THR 22 -5.252 -12.841 -5.141 163 HG23 THR 22 3HG2 THR 22 -4.703 -13.435 -3.574 164 H GLY 23 HN GLY 23 -3.776 -9.510 -1.606 165 HA2 GLY 23 1HA GLY 23 -1.915 -9.881 -0.272 166 HA3 GLY 23 2HA GLY 23 -1.176 -10.761 -1.600 167 H ALA 24 HN ALA 24 -2.310 -7.407 -1.183 168 HA ALA 24 HA ALA 24 0.414 -6.444 -1.565 169 HB1 ALA 24 1HB ALA 24 -1.166 -4.805 -3.231 170 HB2 ALA 24 2HB ALA 24 0.155 -5.879 -3.694 171 HB3 ALA 24 3HB ALA 24 -1.504 -6.477 -3.678 172 H LYS 25 HN LYS 25 0.617 -4.119 -1.147 173 HA LYS 25 HA LYS 25 -1.430 -3.212 0.765 174 HB2 LYS 25 2HB LYS 25 1.363 -2.121 0.669 175 HB3 LYS 25 3HB LYS 25 0.236 -2.157 2.018 176 HG2 LYS 25 2HG LYS 25 1.581 -4.581 0.843 177 HG3 LYS 25 3HG LYS 25 2.131 -3.715 2.280 178 HD2 LYS 25 2HD LYS 25 -0.645 -4.299 2.570 179 HD3 LYS 25 3HD LYS 25 0.197 -5.778 2.100 180 HE2 LYS 25 2HE LYS 25 1.437 -5.841 4.016 181 HE3 LYS 25 3HE LYS 25 1.433 -4.089 4.207 182 HZ1 LYS 25 1HZ LYS 25 0.065 -5.493 5.828 183 HZ2 LYS 25 2HZ LYS 25 -1.045 -5.650 4.561 184 HZ3 LYS 25 3HZ LYS 25 -0.662 -4.117 5.163 185 H ARG 26 HN ARG 26 -1.102 -0.643 1.036 186 HA ARG 26 HA ARG 26 -1.119 0.535 -1.661 187 HB2 ARG 26 2HB ARG 26 -3.432 0.225 -0.948 188 HB3 ARG 26 3HB ARG 26 -3.101 1.071 0.557 189 HG2 ARG 26 2HG ARG 26 -2.720 3.132 -0.627 190 HG3 ARG 26 3HG ARG 26 -2.888 2.307 -2.178 191 HD2 ARG 26 2HD ARG 26 -4.967 3.313 -1.853 192 HD3 ARG 26 3HD ARG 26 -5.222 1.642 -1.348 193 HE ARG 26 HE ARG 26 -5.251 3.999 0.332 194 HH11 ARG 26 1HH1 ARG 26 -5.048 0.526 0.179 195 HH12 ARG 26 2HH1 ARG 26 -5.570 0.293 1.815 196 HH21 ARG 26 1HH2 ARG 26 -5.941 3.704 2.486 197 HH22 ARG 26 2HH2 ARG 26 -6.079 2.102 3.125 198 H LEU 27 HN LEU 27 -0.029 2.404 -1.871 199 HA LEU 27 HA LEU 27 1.407 3.402 0.444 200 HB2 LEU 27 2HB LEU 27 1.553 3.996 -2.499 201 HB3 LEU 27 3HB LEU 27 2.475 4.903 -1.302 202 HG LEU 27 HG LEU 27 2.723 1.948 -1.864 203 HD11 LEU 27 1HD1 LEU 27 3.706 4.027 -3.347 204 HD12 LEU 27 2HD1 LEU 27 4.393 2.405 -3.276 205 HD13 LEU 27 3HD1 LEU 27 5.040 3.681 -2.246 206 HD21 LEU 27 1HD2 LEU 27 4.695 2.111 -0.367 207 HD22 LEU 27 2HD2 LEU 27 3.160 2.373 0.460 208 HD23 LEU 27 3HD2 LEU 27 4.190 3.747 0.058 209 HA PRO 28 HA PRO 28 -1.099 6.921 1.228 210 HB2 PRO 28 2HB PRO 28 0.768 8.710 2.057 211 HB3 PRO 28 3HB PRO 28 0.257 7.331 3.037 212 HG2 PRO 28 2HG PRO 28 2.686 7.635 1.315 213 HG3 PRO 28 3HG PRO 28 2.546 6.931 2.936 214 HD2 PRO 28 2HD PRO 28 2.675 5.415 0.696 215 HD3 PRO 28 3HD PRO 28 1.756 4.921 2.132 216 H CYS 29 HN CYS 29 0.892 6.730 -1.387 217 HA CYS 29 HA CYS 29 0.385 9.495 -2.249 218 HB2 CYS 29 2HB CYS 29 2.043 8.873 -4.097 219 HB3 CYS 29 3HB CYS 29 2.689 9.043 -2.468 220 H ASN 30 HN ASN 30 -1.051 6.587 -2.411 221 HA ASN 30 HA ASN 30 -2.877 5.942 -3.657 222 HB2 ASN 30 2HB ASN 30 -2.782 8.512 -4.375 223 HB3 ASN 30 3HB ASN 30 -2.280 7.799 -5.906 224 HD21 ASN 30 1HD2 ASN 30 -4.502 9.142 -6.058 225 HD22 ASN 30 2HD2 ASN 30 -5.894 8.121 -6.109 226 H HIS 31 HN HIS 31 -0.565 4.551 -3.724 227 HA HIS 31 HA HIS 31 -0.622 3.436 -6.413 228 HB2 HIS 31 2HB HIS 31 1.936 4.341 -5.074 229 HB3 HIS 31 3HB HIS 31 1.862 3.349 -6.527 230 HD2 HIS 31 2HD HIS 31 0.043 4.902 -8.520 231 HE1 HIS 31 1HE HIS 31 2.087 8.445 -7.392 232 HE2 HIS 31 2HE HIS 31 0.530 7.384 -9.064 233 H ILE 32 HN ILE 32 -0.926 1.327 -6.207 234 HA ILE 32 HA ILE 32 -0.047 0.004 -3.736 235 HB ILE 32 HB ILE 32 -2.157 -0.747 -5.753 236 HG12 ILE 32 2HG1 ILE 32 -2.896 -0.749 -2.948 237 HG13 ILE 32 3HG1 ILE 32 -2.224 0.806 -3.427 238 HG21 ILE 32 1HG2 ILE 32 -0.632 -2.437 -3.943 239 HG22 ILE 32 2HG2 ILE 32 -2.372 -2.545 -3.681 240 HG23 ILE 32 3HG2 ILE 32 -1.699 -2.879 -5.275 241 HD11 ILE 32 1HD1 ILE 32 -4.484 1.064 -3.817 242 HD12 ILE 32 2HD1 ILE 32 -3.862 0.637 -5.412 243 HD13 ILE 32 3HD1 ILE 32 -4.671 -0.580 -4.425 244 H PHE 33 HN PHE 33 1.253 -1.781 -3.765 245 HA PHE 33 HA PHE 33 2.025 -2.970 -6.304 246 HB2 PHE 33 2HB PHE 33 4.127 -1.839 -4.451 247 HB3 PHE 33 3HB PHE 33 4.388 -2.602 -6.015 248 HD1 PHE 33 1HD PHE 33 3.609 -1.441 -8.084 249 HD2 PHE 33 2HD PHE 33 3.635 0.454 -4.272 250 HE1 PHE 33 1HE PHE 33 3.470 0.758 -9.180 251 HE2 PHE 33 2HE PHE 33 3.496 2.654 -5.361 252 HZ PHE 33 HZ PHE 33 3.412 2.809 -7.818 253 H HIS 34 HN HIS 34 3.148 -4.981 -6.072 254 HA HIS 34 HA HIS 34 2.161 -6.761 -4.292 255 HB2 HIS 34 2HB HIS 34 4.893 -6.720 -5.576 256 HB3 HIS 34 3HB HIS 34 4.288 -8.100 -4.664 257 HD2 HIS 34 2HD HIS 34 1.270 -8.244 -5.941 258 HE1 HIS 34 1HE HIS 34 3.315 -8.544 -9.646 259 HE2 HIS 34 2HE HIS 34 1.112 -8.823 -8.457 260 H THR 35 HN THR 35 2.569 -7.480 -2.252 261 HA THR 35 HA THR 35 3.791 -5.693 -0.424 262 HB THR 35 HB THR 35 2.867 -8.547 -0.046 263 HG1 THR 35 1HG THR 35 0.982 -7.612 0.073 264 HG21 THR 35 1HG2 THR 35 2.795 -7.658 2.422 265 HG22 THR 35 2HG2 THR 35 4.053 -6.565 1.846 266 HG23 THR 35 3HG2 THR 35 4.290 -8.310 1.752 267 H SER 36 HN SER 36 5.042 -8.186 -2.377 268 HA SER 36 HA SER 36 7.371 -8.613 -0.666 269 HB2 SER 36 2HB SER 36 8.007 -10.300 -2.407 270 HB3 SER 36 3HB SER 36 6.447 -10.615 -1.648 271 HG SER 36 HG SER 36 5.982 -10.795 -3.743 272 H CYS 37 HN CYS 37 6.463 -7.183 -3.743 273 HA CYS 37 HA CYS 37 9.108 -6.641 -4.634 274 HB2 CYS 37 2HB CYS 37 6.433 -5.458 -5.395 275 HB3 CYS 37 3HB CYS 37 7.943 -5.028 -6.192 276 H LEU 38 HN LEU 38 6.744 -4.846 -2.742 277 HA LEU 38 HA LEU 38 8.056 -2.356 -2.751 278 HB2 LEU 38 2HB LEU 38 6.086 -3.657 -0.907 279 HB3 LEU 38 3HB LEU 38 6.775 -2.080 -0.526 280 HG LEU 38 HG LEU 38 5.136 -2.752 -2.970 281 HD11 LEU 38 1HD1 LEU 38 4.490 -1.216 -0.461 282 HD12 LEU 38 2HD1 LEU 38 3.740 -2.708 -1.026 283 HD13 LEU 38 3HD1 LEU 38 3.497 -1.207 -1.919 284 HD21 LEU 38 1HD2 LEU 38 6.962 -0.608 -2.427 285 HD22 LEU 38 2HD2 LEU 38 5.320 0.019 -2.564 286 HD23 LEU 38 3HD2 LEU 38 6.014 -0.929 -3.880 287 H ARG 39 HN ARG 39 7.887 -4.685 -0.050 288 HA ARG 39 HA ARG 39 9.816 -3.567 1.559 289 HB2 ARG 39 2HB ARG 39 9.237 -6.511 1.180 290 HB3 ARG 39 3HB ARG 39 10.102 -5.813 2.543 291 HG2 ARG 39 2HG ARG 39 8.032 -4.471 3.030 292 HG3 ARG 39 3HG ARG 39 7.208 -5.454 1.817 293 HD2 ARG 39 2HD ARG 39 6.889 -7.064 3.312 294 HD3 ARG 39 3HD ARG 39 8.627 -7.182 3.580 295 HE ARG 39 HE ARG 39 8.310 -6.142 5.577 296 HH11 ARG 39 1HH1 ARG 39 5.660 -5.312 3.476 297 HH12 ARG 39 2HH1 ARG 39 4.815 -4.404 4.686 298 HH21 ARG 39 1HH2 ARG 39 7.205 -4.950 7.178 299 HH22 ARG 39 2HH2 ARG 39 5.695 -4.198 6.791 300 H SER 40 HN SER 40 10.234 -5.651 -1.235 301 HA SER 40 HA SER 40 13.074 -5.951 -0.824 302 HB2 SER 40 2HB SER 40 11.205 -6.748 -3.056 303 HB3 SER 40 3HB SER 40 12.950 -6.984 -3.159 304 HG SER 40 HG SER 40 12.852 -8.352 -1.407 305 H TRP 41 HN TRP 41 10.968 -3.746 -2.430 306 HA TRP 41 HA TRP 41 12.955 -2.702 -4.231 307 HB2 TRP 41 2HB TRP 41 10.645 -2.567 -4.904 308 HB3 TRP 41 3HB TRP 41 10.217 -1.704 -3.430 309 HD1 TRP 41 1HD TRP 41 11.209 0.867 -3.226 310 HE1 TRP 41 1HE TRP 41 11.637 2.601 -5.079 311 HE3 TRP 41 3HE TRP 41 11.305 -2.267 -7.265 312 HZ2 TRP 41 2HZ TRP 41 11.970 2.636 -7.882 313 HZ3 TRP 41 3HZ TRP 41 11.683 -1.303 -9.496 314 HH2 TRP 41 2HH TRP 41 12.008 1.097 -9.797 315 H PHE 42 HN PHE 42 11.336 -1.487 -1.300 316 HA PHE 42 HA PHE 42 12.925 0.858 -1.116 317 HB2 PHE 42 2HB PHE 42 11.196 -0.578 0.901 318 HB3 PHE 42 3HB PHE 42 12.010 0.945 1.241 319 HD1 PHE 42 1HD PHE 42 11.567 2.835 -0.556 320 HD2 PHE 42 2HD PHE 42 9.030 -0.510 0.151 321 HE1 PHE 42 1HE PHE 42 9.676 4.065 -1.538 322 HE2 PHE 42 2HE PHE 42 7.136 0.715 -0.830 323 HZ PHE 42 HZ PHE 42 7.457 3.005 -1.677 324 H GLN 43 HN GLN 43 13.548 -2.395 -0.400 325 HA GLN 43 HA GLN 43 15.183 -2.329 1.825 326 HB2 GLN 43 2HB GLN 43 14.783 -4.102 -0.448 327 HB3 GLN 43 3HB GLN 43 16.448 -4.119 0.118 328 HG2 GLN 43 2HG GLN 43 14.664 -4.244 2.353 329 HG3 GLN 43 3HG GLN 43 14.250 -5.493 1.180 330 HE21 GLN 43 1HE2 GLN 43 15.339 -7.321 1.292 331 HE22 GLN 43 2HE2 GLN 43 16.859 -7.551 2.078 332 H ARG 44 HN ARG 44 15.891 -1.372 -1.477 333 HA ARG 44 HA ARG 44 18.542 -0.451 -0.577 334 HB2 ARG 44 2HB ARG 44 17.985 -0.985 -3.463 335 HB3 ARG 44 3HB ARG 44 19.509 -1.048 -2.590 336 HG2 ARG 44 2HG ARG 44 18.826 -3.123 -1.517 337 HG3 ARG 44 3HG ARG 44 17.278 -3.055 -2.361 338 HD2 ARG 44 2HD ARG 44 19.740 -2.901 -4.004 339 HD3 ARG 44 3HD ARG 44 19.351 -4.457 -3.272 340 HE ARG 44 HE ARG 44 18.104 -3.318 -5.524 341 HH11 ARG 44 1HH1 ARG 44 17.344 -5.056 -2.605 342 HH12 ARG 44 2HH1 ARG 44 15.918 -5.791 -3.259 343 HH21 ARG 44 1HH2 ARG 44 16.229 -4.280 -6.397 344 HH22 ARG 44 2HH2 ARG 44 15.286 -5.350 -5.416 345 H GLN 45 HN GLN 45 15.548 0.339 -2.079 346 HA GLN 45 HA GLN 45 16.554 3.011 -2.788 347 HB2 GLN 45 2HB GLN 45 13.869 2.002 -3.641 348 HB3 GLN 45 3HB GLN 45 14.918 3.174 -4.427 349 HG2 GLN 45 2HG GLN 45 15.221 0.186 -4.363 350 HG3 GLN 45 3HG GLN 45 14.903 1.215 -5.759 351 HE21 GLN 45 1HE2 GLN 45 16.838 3.223 -4.714 352 HE22 GLN 45 2HE2 GLN 45 18.394 2.587 -5.107 353 H GLN 46 HN GLN 46 14.658 4.696 -2.639 354 HA GLN 46 HA GLN 46 12.997 4.303 -0.286 355 HB2 GLN 46 2HB GLN 46 15.288 5.189 0.430 356 HB3 GLN 46 3HB GLN 46 14.844 6.681 -0.388 357 HG2 GLN 46 2HG GLN 46 12.669 6.332 1.149 358 HG3 GLN 46 3HG GLN 46 13.888 5.556 2.158 359 HE21 GLN 46 1HE2 GLN 46 12.463 7.926 2.788 360 HE22 GLN 46 2HE2 GLN 46 13.611 9.209 2.917 361 H THR 47 HN THR 47 12.307 4.584 -2.991 362 HA THR 47 HA THR 47 10.596 6.918 -2.811 363 HB THR 47 HB THR 47 11.551 7.007 -5.473 364 HG1 THR 47 1HG THR 47 13.553 6.335 -5.143 365 HG21 THR 47 1HG2 THR 47 11.790 9.263 -5.046 366 HG22 THR 47 2HG2 THR 47 12.379 8.998 -3.404 367 HG23 THR 47 3HG2 THR 47 10.666 8.794 -3.771 368 H CYS 48 HN CYS 48 8.741 6.768 -4.068 369 HA CYS 48 HA CYS 48 7.714 4.257 -4.596 370 HB2 CYS 48 2HB CYS 48 6.640 6.708 -4.521 371 HB3 CYS 48 3HB CYS 48 6.717 6.505 -6.268 372 HA PRO 49 HA PRO 49 9.684 3.030 -8.354 373 HB2 PRO 49 2HB PRO 49 7.986 1.018 -9.018 374 HB3 PRO 49 3HB PRO 49 9.182 0.878 -7.724 375 HG2 PRO 49 2HG PRO 49 6.254 1.474 -7.541 376 HG3 PRO 49 3HG PRO 49 7.240 0.398 -6.536 377 HD2 PRO 49 2HD PRO 49 6.529 2.886 -5.740 378 HD3 PRO 49 3HD PRO 49 8.065 2.134 -5.263 379 H THR 50 HN THR 50 6.896 4.751 -8.138 380 HA THR 50 HA THR 50 6.620 4.869 -11.063 381 HB THR 50 HB THR 50 4.719 3.592 -9.971 382 HG1 THR 50 1HG THR 50 4.710 5.426 -11.885 383 HG21 THR 50 1HG2 THR 50 4.577 5.090 -7.973 384 HG22 THR 50 2HG2 THR 50 3.033 4.820 -8.781 385 HG23 THR 50 3HG2 THR 50 3.900 6.336 -9.020 386 H CYS 51 HN CYS 51 5.902 6.485 -7.982 387 HA CYS 51 HA CYS 51 6.079 9.074 -9.371 388 HB2 CYS 51 2HB CYS 51 4.694 10.015 -7.713 389 HB3 CYS 51 3HB CYS 51 3.973 8.446 -8.055 390 H ARG 52 HN ARG 52 7.937 7.022 -7.628 391 HA ARG 52 HA ARG 52 9.652 7.251 -6.093 392 HB2 ARG 52 2HB ARG 52 10.262 9.436 -8.094 393 HB3 ARG 52 3HB ARG 52 11.427 8.714 -6.991 394 HG2 ARG 52 2HG ARG 52 11.796 7.654 -9.040 395 HG3 ARG 52 3HG ARG 52 10.858 6.494 -8.095 396 HD2 ARG 52 2HD ARG 52 8.879 6.976 -9.289 397 HD3 ARG 52 3HD ARG 52 9.576 8.426 -10.008 398 HE ARG 52 HE ARG 52 10.962 6.010 -10.711 399 HH11 ARG 52 1HH1 ARG 52 8.308 8.120 -11.500 400 HH12 ARG 52 2HH1 ARG 52 8.235 7.622 -13.158 401 HH21 ARG 52 1HH2 ARG 52 10.876 5.346 -12.891 402 HH22 ARG 52 2HH2 ARG 52 9.696 6.044 -13.948 403 H MET 53 HN MET 53 7.732 8.251 -4.698 404 HA MET 53 HA MET 53 8.551 10.949 -3.851 405 HB2 MET 53 2HB MET 53 5.920 9.497 -3.675 406 HB3 MET 53 3HB MET 53 6.262 10.904 -2.677 407 HG2 MET 53 2HG MET 53 6.635 12.241 -4.685 408 HG3 MET 53 3HG MET 53 6.293 10.832 -5.685 409 HE1 MET 53 1HE MET 53 4.140 10.594 -2.616 410 HE2 MET 53 2HE MET 53 4.654 12.270 -2.415 411 HE3 MET 53 3HE MET 53 2.963 11.900 -2.755 412 H ASP 54 HN ASP 54 9.866 10.901 -2.155 413 HA ASP 54 HA ASP 54 10.635 8.937 -0.528 414 HB2 ASP 54 2HB ASP 54 11.630 11.058 -0.201 415 HB3 ASP 54 3HB ASP 54 10.086 11.813 0.184 416 H VAL 55 HN VAL 55 9.640 7.459 0.656 417 HA VAL 55 HA VAL 55 7.287 8.238 2.230 418 HB VAL 55 HB VAL 55 6.226 6.046 1.692 419 HG11 VAL 55 1HG1 VAL 55 5.007 7.209 0.246 420 HG12 VAL 55 2HG1 VAL 55 6.295 8.413 0.171 421 HG13 VAL 55 3HG1 VAL 55 6.271 7.075 -0.976 422 HG21 VAL 55 1HG2 VAL 55 7.017 4.997 -0.486 423 HG22 VAL 55 2HG2 VAL 55 8.511 5.908 -0.257 424 HG23 VAL 55 3HG2 VAL 55 8.014 4.712 0.941 425 H LEU 56 HN LEU 56 9.876 5.907 1.665 426 HA LEU 56 HA LEU 56 10.844 4.338 3.028 427 HB2 LEU 56 2HB LEU 56 11.375 6.824 3.892 428 HB3 LEU 56 3HB LEU 56 10.617 6.166 5.341 429 HG LEU 56 HG LEU 56 12.903 4.757 3.999 430 HD11 LEU 56 1HD1 LEU 56 14.282 6.408 4.535 431 HD12 LEU 56 2HD1 LEU 56 13.894 6.114 6.230 432 HD13 LEU 56 3HD1 LEU 56 12.983 7.314 5.313 433 HD21 LEU 56 1HD2 LEU 56 11.337 3.777 5.832 434 HD22 LEU 56 2HD2 LEU 56 12.271 4.805 6.920 435 HD23 LEU 56 3HD2 LEU 56 13.082 3.562 5.966 Start of MODEL 12 1 H1 ALA 1 HN ALA 1 -4.368 -4.140 0.383 2 HA ALA 1 HA ALA 1 -5.984 -2.316 -0.248 3 HB1 ALA 1 1HB ALA 1 -4.206 -2.093 -1.639 4 HB2 ALA 1 2HB ALA 1 -4.263 -3.778 -2.162 5 HB3 ALA 1 3HB ALA 1 -5.400 -2.608 -2.831 6 H THR 2 HN THR 2 -7.853 -1.775 -1.352 7 HA THR 2 HA THR 2 -9.729 -3.933 -1.728 8 HB THR 2 HB THR 2 -11.034 -1.671 -2.587 9 HG1 THR 2 1HG THR 2 -9.368 -0.868 -0.427 10 HG21 THR 2 1HG2 THR 2 -12.316 -2.598 -1.008 11 HG22 THR 2 2HG2 THR 2 -11.389 -1.665 0.165 12 HG23 THR 2 3HG2 THR 2 -10.925 -3.325 -0.206 13 HA PRO 3 HA PRO 3 -9.569 -4.366 -6.092 14 HB2 PRO 3 2HB PRO 3 -12.187 -4.701 -6.729 15 HB3 PRO 3 3HB PRO 3 -11.235 -5.936 -5.897 16 HG2 PRO 3 2HG PRO 3 -13.160 -3.943 -4.762 17 HG3 PRO 3 3HG PRO 3 -12.968 -5.662 -4.370 18 HD2 PRO 3 2HD PRO 3 -11.945 -3.692 -2.820 19 HD3 PRO 3 3HD PRO 3 -11.161 -5.276 -2.992 20 H GLU 4 HN GLU 4 -12.088 -2.118 -4.975 21 HA GLU 4 HA GLU 4 -12.459 -0.766 -7.405 22 HB2 GLU 4 2HB GLU 4 -13.943 -0.636 -5.379 23 HB3 GLU 4 3HB GLU 4 -12.747 0.423 -4.644 24 HG2 GLU 4 2HG GLU 4 -13.958 2.072 -5.525 25 HG3 GLU 4 3HG GLU 4 -13.154 1.647 -7.036 26 H GLU 5 HN GLU 5 -10.065 -0.414 -4.882 27 HA GLU 5 HA GLU 5 -9.027 2.061 -5.968 28 HB2 GLU 5 2HB GLU 5 -7.730 0.324 -3.873 29 HB3 GLU 5 3HB GLU 5 -7.486 2.042 -4.154 30 HG2 GLU 5 2HG GLU 5 -10.191 1.034 -3.404 31 HG3 GLU 5 3HG GLU 5 -8.952 1.239 -2.168 32 H LEU 6 HN LEU 6 -8.270 -1.356 -6.043 33 HA LEU 6 HA LEU 6 -5.675 -1.076 -7.187 34 HB2 LEU 6 2HB LEU 6 -7.573 -3.290 -6.676 35 HB3 LEU 6 3HB LEU 6 -6.352 -3.554 -7.920 36 HG LEU 6 HG LEU 6 -5.667 -2.713 -5.111 37 HD11 LEU 6 1HD1 LEU 6 -5.108 -5.088 -4.722 38 HD12 LEU 6 2HD1 LEU 6 -5.875 -5.493 -6.257 39 HD13 LEU 6 3HD1 LEU 6 -6.837 -4.813 -4.944 40 HD21 LEU 6 1HD2 LEU 6 -4.023 -4.055 -7.253 41 HD22 LEU 6 2HD2 LEU 6 -3.460 -3.482 -5.683 42 HD23 LEU 6 3HD2 LEU 6 -3.998 -2.326 -6.903 43 H GLN 7 HN GLN 7 -8.914 -1.565 -8.498 44 HA GLN 7 HA GLN 7 -8.083 -1.936 -11.190 45 HB2 GLN 7 2HB GLN 7 -10.548 -1.897 -9.736 46 HB3 GLN 7 3HB GLN 7 -10.704 -0.853 -11.143 47 HG2 GLN 7 2HG GLN 7 -9.425 -3.194 -12.025 48 HG3 GLN 7 3HG GLN 7 -10.756 -3.703 -10.989 49 HE21 GLN 7 1HE2 GLN 7 -12.791 -2.235 -11.418 50 HE22 GLN 7 2HE2 GLN 7 -13.236 -2.122 -13.083 51 H ALA 8 HN ALA 8 -8.493 0.830 -9.189 52 HA ALA 8 HA ALA 8 -8.909 2.740 -11.273 53 HB1 ALA 8 1HB ALA 8 -8.461 4.414 -9.542 54 HB2 ALA 8 2HB ALA 8 -9.617 3.200 -8.991 55 HB3 ALA 8 3HB ALA 8 -7.942 3.135 -8.444 56 H MET 9 HN MET 9 -6.286 0.879 -10.524 57 HA MET 9 HA MET 9 -4.491 2.724 -11.916 58 HB2 MET 9 2HB MET 9 -2.657 2.224 -10.359 59 HB3 MET 9 3HB MET 9 -3.994 3.029 -9.549 60 HG2 MET 9 2HG MET 9 -4.448 1.258 -8.241 61 HG3 MET 9 3HG MET 9 -4.063 0.091 -9.504 62 HE1 MET 9 1HE MET 9 -1.967 -1.170 -9.716 63 HE2 MET 9 2HE MET 9 -1.192 0.272 -10.375 64 HE3 MET 9 3HE MET 9 -0.388 -0.664 -9.115 65 H ASP 10 HN ASP 10 -5.907 0.398 -12.817 66 HA ASP 10 HA ASP 10 -5.559 -1.458 -14.086 67 HB2 ASP 10 2HB ASP 10 -2.657 -0.609 -13.950 68 HB3 ASP 10 3HB ASP 10 -3.330 -1.786 -15.075 69 H ASN 11 HN ASN 11 -4.832 -1.249 -10.999 70 HA ASN 11 HA ASN 11 -3.912 -2.623 -9.380 71 HB2 ASN 11 2HB ASN 11 -5.192 -4.606 -9.164 72 HB3 ASN 11 3HB ASN 11 -6.237 -3.466 -10.006 73 HD21 ASN 11 1HD2 ASN 11 -4.530 -6.438 -10.176 74 HD22 ASN 11 2HD2 ASN 11 -5.090 -6.925 -11.736 75 H VAL 12 HN VAL 12 -2.069 -2.300 -11.503 76 HA VAL 12 HA VAL 12 -0.832 -4.975 -11.605 77 HB VAL 12 HB VAL 12 -0.915 -2.771 -13.623 78 HG11 VAL 12 1HG1 VAL 12 1.290 -4.819 -13.407 79 HG12 VAL 12 2HG1 VAL 12 1.011 -3.761 -14.791 80 HG13 VAL 12 3HG1 VAL 12 1.460 -3.072 -13.230 81 HG21 VAL 12 1HG2 VAL 12 -0.736 -5.412 -14.683 82 HG22 VAL 12 2HG2 VAL 12 -1.933 -5.399 -13.387 83 HG23 VAL 12 3HG2 VAL 12 -2.091 -4.285 -14.745 84 H CYS 13 HN CYS 13 1.006 -5.205 -10.524 85 HA CYS 13 HA CYS 13 2.196 -3.063 -9.102 86 HB2 CYS 13 2HB CYS 13 2.289 -5.316 -8.219 87 HB3 CYS 13 3HB CYS 13 3.173 -5.873 -9.636 88 H ILE 14 HN ILE 14 3.454 -1.534 -9.913 89 HA ILE 14 HA ILE 14 4.596 -1.639 -12.496 90 HB ILE 14 HB ILE 14 3.984 0.427 -11.048 91 HG12 ILE 14 2HG1 ILE 14 4.835 0.650 -13.291 92 HG13 ILE 14 3HG1 ILE 14 5.694 1.792 -12.263 93 HG21 ILE 14 1HG2 ILE 14 5.424 -0.140 -9.156 94 HG22 ILE 14 2HG2 ILE 14 6.843 -0.006 -10.194 95 HG23 ILE 14 3HG2 ILE 14 5.863 1.419 -9.851 96 HD11 ILE 14 1HD1 ILE 14 7.401 -0.227 -12.100 97 HD12 ILE 14 2HD1 ILE 14 6.680 -0.617 -13.663 98 HD13 ILE 14 3HD1 ILE 14 7.449 0.949 -13.413 99 H ILE 15 HN ILE 15 6.022 -1.940 -9.255 100 HA ILE 15 HA ILE 15 8.657 -2.031 -9.641 101 HB ILE 15 HB ILE 15 7.128 -4.161 -8.141 102 HG12 ILE 15 2HG1 ILE 15 8.473 -1.852 -6.820 103 HG13 ILE 15 3HG1 ILE 15 6.946 -1.553 -7.645 104 HG21 ILE 15 1HG2 ILE 15 9.994 -3.635 -8.490 105 HG22 ILE 15 2HG2 ILE 15 9.476 -3.851 -6.819 106 HG23 ILE 15 3HG2 ILE 15 9.159 -5.113 -8.010 107 HD11 ILE 15 1HD1 ILE 15 7.504 -3.229 -5.244 108 HD12 ILE 15 2HD1 ILE 15 6.267 -1.997 -5.496 109 HD13 ILE 15 3HD1 ILE 15 6.107 -3.578 -6.261 110 H CYS 16 HN CYS 16 6.524 -4.786 -10.382 111 HA CYS 16 HA CYS 16 8.677 -5.884 -12.068 112 HB2 CYS 16 2HB CYS 16 7.591 -8.088 -11.747 113 HB3 CYS 16 3HB CYS 16 8.134 -7.377 -10.231 114 H ARG 17 HN ARG 17 5.843 -4.234 -12.223 115 HA ARG 17 HA ARG 17 4.196 -3.946 -13.780 116 HB2 ARG 17 2HB ARG 17 6.650 -4.568 -15.392 117 HB3 ARG 17 3HB ARG 17 5.114 -4.265 -16.194 118 HG2 ARG 17 2HG ARG 17 5.211 -2.143 -14.539 119 HG3 ARG 17 3HG ARG 17 6.933 -2.408 -14.818 120 HD2 ARG 17 2HD ARG 17 5.490 -2.637 -17.287 121 HD3 ARG 17 3HD ARG 17 5.090 -1.112 -16.498 122 HE ARG 17 HE ARG 17 7.829 -1.319 -16.369 123 HH11 ARG 17 1HH1 ARG 17 5.420 -1.250 -18.881 124 HH12 ARG 17 2HH1 ARG 17 6.470 -0.515 -20.047 125 HH21 ARG 17 1HH2 ARG 17 9.221 -0.352 -17.896 126 HH22 ARG 17 2HH2 ARG 17 8.633 -0.006 -19.486 127 H GLU 18 HN GLU 18 3.391 -6.069 -12.691 128 HA GLU 18 HA GLU 18 2.936 -8.033 -14.839 129 HB2 GLU 18 2HB GLU 18 3.445 -8.507 -11.907 130 HB3 GLU 18 3HB GLU 18 2.670 -9.713 -12.926 131 HG2 GLU 18 2HG GLU 18 5.416 -8.553 -13.341 132 HG3 GLU 18 3HG GLU 18 5.049 -10.147 -12.684 133 H GLU 19 HN GLU 19 1.514 -8.288 -11.677 134 HA GLU 19 HA GLU 19 -0.885 -6.870 -12.240 135 HB2 GLU 19 2HB GLU 19 -0.776 -9.291 -13.526 136 HB3 GLU 19 3HB GLU 19 -1.599 -9.709 -12.030 137 HG2 GLU 19 2HG GLU 19 -3.464 -8.578 -12.575 138 HG3 GLU 19 3HG GLU 19 -2.578 -7.292 -13.392 139 H MET 20 HN MET 20 -2.394 -6.942 -10.496 140 HA MET 20 HA MET 20 -1.414 -8.289 -8.072 141 HB2 MET 20 2HB MET 20 -2.095 -5.401 -8.467 142 HB3 MET 20 3HB MET 20 -2.371 -6.145 -6.899 143 HG2 MET 20 2HG MET 20 -0.034 -6.746 -6.735 144 HG3 MET 20 3HG MET 20 0.266 -6.095 -8.345 145 HE1 MET 20 1HE MET 20 -0.720 -3.885 -8.953 146 HE2 MET 20 2HE MET 20 -1.483 -2.814 -7.777 147 HE3 MET 20 3HE MET 20 0.194 -2.548 -8.254 148 H VAL 21 HN VAL 21 -2.926 -9.771 -7.654 149 HA VAL 21 HA VAL 21 -5.756 -9.022 -7.950 150 HB VAL 21 HB VAL 21 -6.065 -11.587 -7.699 151 HG11 VAL 21 1HG1 VAL 21 -6.624 -10.505 -9.735 152 HG12 VAL 21 2HG1 VAL 21 -4.927 -10.250 -10.144 153 HG13 VAL 21 3HG1 VAL 21 -5.604 -11.879 -10.158 154 HG21 VAL 21 1HG2 VAL 21 -4.286 -12.987 -8.019 155 HG22 VAL 21 2HG2 VAL 21 -3.356 -11.784 -8.913 156 HG23 VAL 21 3HG2 VAL 21 -3.480 -11.676 -7.157 157 H THR 22 HN THR 22 -3.318 -9.956 -5.695 158 HA THR 22 HA THR 22 -4.910 -9.282 -3.456 159 HB THR 22 HB THR 22 -5.957 -11.456 -3.869 160 HG1 THR 22 1HG THR 22 -6.023 -11.478 -1.761 161 HG21 THR 22 1HG2 THR 22 -4.826 -13.295 -4.450 162 HG22 THR 22 2HG2 THR 22 -3.699 -13.112 -3.106 163 HG23 THR 22 3HG2 THR 22 -3.410 -12.261 -4.624 164 H GLY 23 HN GLY 23 -3.748 -10.112 -1.349 165 HA2 GLY 23 1HA GLY 23 -1.856 -9.932 -0.061 166 HA3 GLY 23 2HA GLY 23 -1.079 -10.873 -1.325 167 H ALA 24 HN ALA 24 -2.297 -7.536 -0.978 168 HA ALA 24 HA ALA 24 0.369 -6.525 -1.586 169 HB1 ALA 24 1HB ALA 24 -0.286 -6.458 -3.775 170 HB2 ALA 24 2HB ALA 24 -1.992 -6.243 -3.374 171 HB3 ALA 24 3HB ALA 24 -0.874 -4.886 -3.230 172 H LYS 25 HN LYS 25 0.546 -4.183 -1.237 173 HA LYS 25 HA LYS 25 -1.346 -3.291 0.834 174 HB2 LYS 25 2HB LYS 25 1.406 -2.151 0.451 175 HB3 LYS 25 3HB LYS 25 0.399 -2.134 1.893 176 HG2 LYS 25 2HG LYS 25 1.705 -4.578 0.714 177 HG3 LYS 25 3HG LYS 25 2.304 -3.660 2.098 178 HD2 LYS 25 2HD LYS 25 -0.431 -4.289 2.561 179 HD3 LYS 25 3HD LYS 25 0.396 -5.765 2.059 180 HE2 LYS 25 2HE LYS 25 1.789 -5.765 3.881 181 HE3 LYS 25 3HE LYS 25 1.705 -4.015 4.081 182 HZ1 LYS 25 1HZ LYS 25 -0.247 -4.148 5.236 183 HZ2 LYS 25 2HZ LYS 25 0.481 -5.592 5.729 184 HZ3 LYS 25 3HZ LYS 25 -0.715 -5.613 4.533 185 H ARG 26 HN ARG 26 -0.980 -0.686 1.016 186 HA ARG 26 HA ARG 26 -1.248 0.448 -1.678 187 HB2 ARG 26 2HB ARG 26 -3.515 0.041 -0.921 188 HB3 ARG 26 3HB ARG 26 -3.185 0.847 0.606 189 HG2 ARG 26 2HG ARG 26 -3.069 2.964 -0.417 190 HG3 ARG 26 3HG ARG 26 -2.974 2.261 -2.032 191 HD2 ARG 26 2HD ARG 26 -5.184 3.085 -1.766 192 HD3 ARG 26 3HD ARG 26 -5.274 1.328 -1.651 193 HE ARG 26 HE ARG 26 -4.994 2.314 0.932 194 HH11 ARG 26 1HH1 ARG 26 -7.295 2.459 -1.677 195 HH12 ARG 26 2HH1 ARG 26 -8.664 2.646 -0.632 196 HH21 ARG 26 1HH2 ARG 26 -6.790 2.559 2.317 197 HH22 ARG 26 2HH2 ARG 26 -8.376 2.703 1.640 198 H LEU 27 HN LEU 27 0.089 2.105 -1.901 199 HA LEU 27 HA LEU 27 1.417 3.275 0.349 200 HB2 LEU 27 2HB LEU 27 1.446 4.020 -2.571 201 HB3 LEU 27 3HB LEU 27 2.514 4.701 -1.345 202 HG LEU 27 HG LEU 27 2.464 1.852 -2.333 203 HD11 LEU 27 1HD1 LEU 27 4.790 3.729 -2.407 204 HD12 LEU 27 2HD1 LEU 27 3.558 3.784 -3.666 205 HD13 LEU 27 3HD1 LEU 27 4.471 2.301 -3.392 206 HD21 LEU 27 1HD2 LEU 27 4.070 3.124 -0.120 207 HD22 LEU 27 2HD2 LEU 27 4.418 1.547 -0.832 208 HD23 LEU 27 3HD2 LEU 27 2.901 1.811 0.029 209 HA PRO 28 HA PRO 28 -1.168 6.727 1.173 210 HB2 PRO 28 2HB PRO 28 0.667 8.579 1.930 211 HB3 PRO 28 3HB PRO 28 0.227 7.195 2.938 212 HG2 PRO 28 2HG PRO 28 2.595 7.554 1.142 213 HG3 PRO 28 3HG PRO 28 2.522 6.862 2.773 214 HD2 PRO 28 2HD PRO 28 2.633 5.328 0.545 215 HD3 PRO 28 3HD PRO 28 1.771 4.822 2.011 216 H CYS 29 HN CYS 29 0.742 6.565 -1.500 217 HA CYS 29 HA CYS 29 0.116 9.302 -2.374 218 HB2 CYS 29 2HB CYS 29 1.758 8.716 -4.256 219 HB3 CYS 29 3HB CYS 29 2.429 8.956 -2.647 220 H ASN 30 HN ASN 30 -1.301 6.428 -2.425 221 HA ASN 30 HA ASN 30 -3.122 5.714 -3.634 222 HB2 ASN 30 2HB ASN 30 -4.134 7.169 -5.020 223 HB3 ASN 30 3HB ASN 30 -2.838 8.284 -4.593 224 HD21 ASN 30 1HD2 ASN 30 -4.472 7.722 -7.087 225 HD22 ASN 30 2HD2 ASN 30 -3.287 7.604 -8.340 226 H HIS 31 HN HIS 31 -0.118 5.105 -4.011 227 HA HIS 31 HA HIS 31 -0.369 3.653 -6.561 228 HB2 HIS 31 2HB HIS 31 2.079 4.650 -5.101 229 HB3 HIS 31 3HB HIS 31 2.152 3.553 -6.476 230 HD2 HIS 31 2HD HIS 31 0.559 4.856 -8.764 231 HE1 HIS 31 1HE HIS 31 2.220 8.603 -7.666 232 HE2 HIS 31 2HE HIS 31 0.957 7.324 -9.431 233 H ILE 32 HN ILE 32 -0.967 1.618 -6.201 234 HA ILE 32 HA ILE 32 -0.072 0.246 -3.781 235 HB ILE 32 HB ILE 32 -2.159 -0.416 -5.846 236 HG12 ILE 32 2HG1 ILE 32 -2.905 -0.559 -3.046 237 HG13 ILE 32 3HG1 ILE 32 -2.213 1.010 -3.442 238 HG21 ILE 32 1HG2 ILE 32 -0.721 -2.208 -4.013 239 HG22 ILE 32 2HG2 ILE 32 -2.478 -2.348 -3.979 240 HG23 ILE 32 3HG2 ILE 32 -1.605 -2.569 -5.496 241 HD11 ILE 32 1HD1 ILE 32 -4.791 -0.125 -4.140 242 HD12 ILE 32 2HD1 ILE 32 -4.260 1.556 -4.107 243 HD13 ILE 32 3HD1 ILE 32 -3.939 0.558 -5.524 244 H PHE 33 HN PHE 33 1.146 -1.613 -3.785 245 HA PHE 33 HA PHE 33 2.000 -2.777 -6.305 246 HB2 PHE 33 2HB PHE 33 4.039 -1.689 -4.356 247 HB3 PHE 33 3HB PHE 33 4.368 -2.489 -5.890 248 HD1 PHE 33 1HD PHE 33 3.823 0.617 -4.254 249 HD2 PHE 33 2HD PHE 33 3.499 -1.352 -8.014 250 HE1 PHE 33 1HE PHE 33 3.796 2.798 -5.391 251 HE2 PHE 33 2HE PHE 33 3.473 0.827 -9.157 252 HZ PHE 33 HZ PHE 33 3.622 2.906 -7.845 253 H HIS 34 HN HIS 34 3.325 -4.743 -5.969 254 HA HIS 34 HA HIS 34 2.139 -6.530 -4.224 255 HB2 HIS 34 2HB HIS 34 4.810 -6.570 -5.613 256 HB3 HIS 34 3HB HIS 34 4.273 -7.911 -4.606 257 HD2 HIS 34 2HD HIS 34 1.156 -8.037 -5.706 258 HE1 HIS 34 1HE HIS 34 3.008 -8.632 -9.476 259 HE2 HIS 34 2HE HIS 34 0.858 -8.767 -8.169 260 H THR 35 HN THR 35 2.550 -7.272 -2.192 261 HA THR 35 HA THR 35 3.889 -5.534 -0.389 262 HB THR 35 HB THR 35 2.918 -8.354 0.110 263 HG1 THR 35 1HG THR 35 1.030 -7.285 0.863 264 HG21 THR 35 1HG2 THR 35 4.475 -7.528 1.819 265 HG22 THR 35 2HG2 THR 35 2.837 -7.674 2.457 266 HG23 THR 35 3HG2 THR 35 3.478 -6.088 2.029 267 H SER 36 HN SER 36 4.943 -8.143 -2.320 268 HA SER 36 HA SER 36 7.274 -8.678 -0.641 269 HB2 SER 36 2HB SER 36 6.034 -10.027 -3.011 270 HB3 SER 36 3HB SER 36 7.733 -10.321 -2.642 271 HG SER 36 HG SER 36 5.765 -10.548 -0.638 272 H CYS 37 HN CYS 37 6.348 -6.954 -3.483 273 HA CYS 37 HA CYS 37 9.039 -6.687 -4.505 274 HB2 CYS 37 2HB CYS 37 6.413 -5.417 -5.293 275 HB3 CYS 37 3HB CYS 37 7.938 -5.062 -6.096 276 H LEU 38 HN LEU 38 6.812 -4.843 -2.534 277 HA LEU 38 HA LEU 38 8.264 -2.394 -2.623 278 HB2 LEU 38 2HB LEU 38 6.088 -3.501 -0.897 279 HB3 LEU 38 3HB LEU 38 6.899 -2.003 -0.443 280 HG LEU 38 HG LEU 38 5.323 -2.500 -2.967 281 HD11 LEU 38 1HD1 LEU 38 3.760 -2.196 -1.277 282 HD12 LEU 38 2HD1 LEU 38 3.983 -0.567 -1.914 283 HD13 LEU 38 3HD1 LEU 38 4.774 -1.040 -0.411 284 HD21 LEU 38 1HD2 LEU 38 6.442 -0.815 -3.877 285 HD22 LEU 38 2HD2 LEU 38 7.394 -0.606 -2.407 286 HD23 LEU 38 3HD2 LEU 38 5.854 0.237 -2.589 287 H ARG 39 HN ARG 39 8.244 -5.179 -0.460 288 HA ARG 39 HA ARG 39 9.853 -4.111 1.576 289 HB2 ARG 39 2HB ARG 39 10.361 -6.507 2.109 290 HB3 ARG 39 3HB ARG 39 8.647 -6.138 1.980 291 HG2 ARG 39 2HG ARG 39 8.666 -7.043 -0.321 292 HG3 ARG 39 3HG ARG 39 10.354 -7.501 -0.089 293 HD2 ARG 39 2HD ARG 39 9.521 -8.773 1.975 294 HD3 ARG 39 3HD ARG 39 7.911 -8.570 1.286 295 HE ARG 39 HE ARG 39 8.407 -10.199 -0.233 296 HH11 ARG 39 1HH1 ARG 39 11.375 -8.992 1.127 297 HH12 ARG 39 2HH1 ARG 39 12.369 -10.177 0.345 298 HH21 ARG 39 1HH2 ARG 39 9.704 -11.765 -1.268 299 HH22 ARG 39 2HH2 ARG 39 11.416 -11.754 -1.018 300 H SER 40 HN SER 40 10.732 -6.062 -1.268 301 HA SER 40 HA SER 40 13.546 -5.835 -0.731 302 HB2 SER 40 2HB SER 40 12.493 -7.796 -1.896 303 HB3 SER 40 3HB SER 40 12.209 -6.749 -3.287 304 HG SER 40 HG SER 40 14.148 -7.349 -3.835 305 H TRP 41 HN TRP 41 11.200 -3.927 -2.315 306 HA TRP 41 HA TRP 41 13.037 -2.600 -4.101 307 HB2 TRP 41 2HB TRP 41 10.768 -2.762 -4.842 308 HB3 TRP 41 3HB TRP 41 10.164 -2.067 -3.340 309 HD1 TRP 41 1HD TRP 41 10.009 0.535 -3.190 310 HE1 TRP 41 1HE TRP 41 10.459 2.450 -4.851 311 HE3 TRP 41 3HE TRP 41 12.394 -2.112 -6.856 312 HZ2 TRP 41 2HZ TRP 41 11.665 2.793 -7.380 313 HZ3 TRP 41 3HZ TRP 41 13.164 -0.917 -8.864 314 HH2 TRP 41 2HH TRP 41 12.806 1.485 -9.118 315 H PHE 42 HN PHE 42 11.489 -1.923 -1.002 316 HA PHE 42 HA PHE 42 12.475 0.740 -0.786 317 HB2 PHE 42 2HB PHE 42 11.319 -1.198 1.214 318 HB3 PHE 42 3HB PHE 42 11.868 0.410 1.675 319 HD1 PHE 42 1HD PHE 42 10.980 2.069 -0.536 320 HD2 PHE 42 2HD PHE 42 9.020 -1.185 1.384 321 HE1 PHE 42 1HE PHE 42 8.800 3.002 -1.189 322 HE2 PHE 42 2HE PHE 42 6.836 -0.258 0.733 323 HZ PHE 42 HZ PHE 42 6.723 1.838 -0.556 324 H GLN 43 HN GLN 43 13.980 -2.245 -0.551 325 HA GLN 43 HA GLN 43 15.834 -1.759 1.535 326 HB2 GLN 43 2HB GLN 43 15.719 -3.672 -0.770 327 HB3 GLN 43 3HB GLN 43 17.183 -3.547 0.196 328 HG2 GLN 43 2HG GLN 43 15.292 -3.792 2.127 329 HG3 GLN 43 3HG GLN 43 14.600 -4.766 0.832 330 HE21 GLN 43 1HE2 GLN 43 15.039 -6.318 2.725 331 HE22 GLN 43 2HE2 GLN 43 16.542 -7.166 2.655 332 H ARG 44 HN ARG 44 15.830 -1.069 -1.911 333 HA ARG 44 HA ARG 44 18.314 0.468 -1.532 334 HB2 ARG 44 2HB ARG 44 17.540 -0.967 -4.073 335 HB3 ARG 44 3HB ARG 44 19.052 -0.133 -3.742 336 HG2 ARG 44 2HG ARG 44 19.861 -1.827 -2.429 337 HG3 ARG 44 3HG ARG 44 18.251 -2.403 -1.991 338 HD2 ARG 44 2HD ARG 44 19.478 -2.654 -4.734 339 HD3 ARG 44 3HD ARG 44 19.480 -3.929 -3.516 340 HE ARG 44 HE ARG 44 16.862 -3.319 -3.747 341 HH11 ARG 44 1HH1 ARG 44 19.334 -4.101 -6.070 342 HH12 ARG 44 2HH1 ARG 44 18.234 -4.831 -7.191 343 HH21 ARG 44 1HH2 ARG 44 15.402 -4.277 -5.215 344 HH22 ARG 44 2HH2 ARG 44 15.998 -4.930 -6.704 345 H GLN 45 HN GLN 45 15.072 0.489 -2.394 346 HA GLN 45 HA GLN 45 15.367 3.163 -3.577 347 HB2 GLN 45 2HB GLN 45 13.746 0.852 -4.588 348 HB3 GLN 45 3HB GLN 45 13.221 2.501 -4.902 349 HG2 GLN 45 2HG GLN 45 14.444 1.830 -6.791 350 HG3 GLN 45 3HG GLN 45 15.498 2.917 -5.888 351 HE21 GLN 45 1HE2 GLN 45 17.490 2.227 -6.258 352 HE22 GLN 45 2HE2 GLN 45 18.047 0.603 -6.063 353 H GLN 46 HN GLN 46 14.854 4.142 -1.619 354 HA GLN 46 HA GLN 46 12.475 3.426 -0.171 355 HB2 GLN 46 2HB GLN 46 13.156 4.941 1.437 356 HB3 GLN 46 3HB GLN 46 14.693 4.485 0.714 357 HG2 GLN 46 2HG GLN 46 13.956 6.608 -0.828 358 HG3 GLN 46 3HG GLN 46 13.323 7.062 0.753 359 HE21 GLN 46 1HE2 GLN 46 14.827 8.747 0.895 360 HE22 GLN 46 2HE2 GLN 46 16.490 8.450 1.254 361 H THR 47 HN THR 47 12.650 4.690 -3.056 362 HA THR 47 HA THR 47 10.507 6.663 -2.598 363 HB THR 47 HB THR 47 11.614 6.986 -5.207 364 HG1 THR 47 1HG THR 47 13.763 7.491 -4.645 365 HG21 THR 47 1HG2 THR 47 11.662 9.215 -4.624 366 HG22 THR 47 2HG2 THR 47 12.156 8.882 -2.965 367 HG23 THR 47 3HG2 THR 47 10.488 8.596 -3.463 368 H CYS 48 HN CYS 48 8.657 6.519 -3.801 369 HA CYS 48 HA CYS 48 7.645 4.140 -4.611 370 HB2 CYS 48 2HB CYS 48 6.664 6.645 -4.561 371 HB3 CYS 48 3HB CYS 48 6.843 6.444 -6.302 372 HA PRO 49 HA PRO 49 9.865 2.953 -8.237 373 HB2 PRO 49 2HB PRO 49 8.158 1.028 -9.102 374 HB3 PRO 49 3HB PRO 49 9.238 0.804 -7.721 375 HG2 PRO 49 2HG PRO 49 6.327 1.506 -7.755 376 HG3 PRO 49 3HG PRO 49 7.190 0.362 -6.710 377 HD2 PRO 49 2HD PRO 49 6.505 2.851 -5.893 378 HD3 PRO 49 3HD PRO 49 7.969 2.027 -5.319 379 H THR 50 HN THR 50 7.115 4.756 -8.190 380 HA THR 50 HA THR 50 7.130 5.029 -11.113 381 HB THR 50 HB THR 50 5.111 3.692 -10.139 382 HG1 THR 50 1HG THR 50 5.016 5.839 -11.984 383 HG21 THR 50 1HG2 THR 50 4.271 6.535 -9.556 384 HG22 THR 50 2HG2 THR 50 4.568 5.276 -8.355 385 HG23 THR 50 3HG2 THR 50 3.225 5.117 -9.488 386 H CYS 51 HN CYS 51 6.034 6.440 -8.039 387 HA CYS 51 HA CYS 51 6.236 9.112 -9.238 388 HB2 CYS 51 2HB CYS 51 4.696 9.869 -7.691 389 HB3 CYS 51 3HB CYS 51 4.163 8.204 -7.901 390 H ARG 52 HN ARG 52 8.123 7.012 -7.580 391 HA ARG 52 HA ARG 52 9.786 7.207 -5.979 392 HB2 ARG 52 2HB ARG 52 10.568 9.607 -7.617 393 HB3 ARG 52 3HB ARG 52 11.610 8.412 -6.856 394 HG2 ARG 52 2HG ARG 52 9.941 7.047 -8.689 395 HG3 ARG 52 3HG ARG 52 10.601 8.466 -9.506 396 HD2 ARG 52 2HD ARG 52 12.800 7.774 -9.198 397 HD3 ARG 52 3HD ARG 52 12.371 6.677 -7.885 398 HE ARG 52 HE ARG 52 11.119 5.806 -10.239 399 HH11 ARG 52 1HH1 ARG 52 14.299 6.085 -8.847 400 HH12 ARG 52 2HH1 ARG 52 14.946 4.741 -9.730 401 HH21 ARG 52 1HH2 ARG 52 11.959 4.036 -11.408 402 HH22 ARG 52 2HH2 ARG 52 13.614 3.577 -11.187 403 H MET 53 HN MET 53 7.958 8.033 -4.476 404 HA MET 53 HA MET 53 8.721 10.708 -3.500 405 HB2 MET 53 2HB MET 53 6.440 10.705 -4.394 406 HB3 MET 53 3HB MET 53 6.015 9.369 -3.333 407 HG2 MET 53 2HG MET 53 5.756 10.695 -1.545 408 HG3 MET 53 3HG MET 53 7.123 11.719 -1.976 409 HE1 MET 53 1HE MET 53 3.563 11.087 -1.797 410 HE2 MET 53 2HE MET 53 2.742 12.429 -2.596 411 HE3 MET 53 3HE MET 53 3.306 11.049 -3.542 412 H ASP 54 HN ASP 54 9.800 10.600 -1.655 413 HA ASP 54 HA ASP 54 10.439 8.503 -0.117 414 HB2 ASP 54 2HB ASP 54 11.359 10.668 0.370 415 HB3 ASP 54 3HB ASP 54 9.780 11.295 0.833 416 H VAL 55 HN VAL 55 9.364 6.972 0.919 417 HA VAL 55 HA VAL 55 6.782 7.649 2.166 418 HB VAL 55 HB VAL 55 6.075 5.277 1.630 419 HG11 VAL 55 1HG1 VAL 55 5.832 7.625 0.195 420 HG12 VAL 55 2HG1 VAL 55 6.312 6.438 -1.020 421 HG13 VAL 55 3HG1 VAL 55 4.878 6.159 -0.031 422 HG21 VAL 55 1HG2 VAL 55 7.957 4.106 1.008 423 HG22 VAL 55 2HG2 VAL 55 7.265 4.496 -0.567 424 HG23 VAL 55 3HG2 VAL 55 8.611 5.445 0.065 425 H LEU 56 HN LEU 56 9.417 5.258 2.073 426 HA LEU 56 HA LEU 56 10.111 3.761 3.687 427 HB2 LEU 56 2HB LEU 56 10.745 6.421 4.256 428 HB3 LEU 56 3HB LEU 56 10.238 5.729 5.795 429 HG LEU 56 HG LEU 56 12.481 4.756 4.027 430 HD11 LEU 56 1HD1 LEU 56 12.310 6.402 6.490 431 HD12 LEU 56 2HD1 LEU 56 13.428 6.506 5.130 432 HD13 LEU 56 3HD1 LEU 56 13.641 5.254 6.354 433 HD21 LEU 56 1HD2 LEU 56 12.291 3.614 6.690 434 HD22 LEU 56 2HD2 LEU 56 12.529 2.821 5.133 435 HD23 LEU 56 3HD2 LEU 56 10.899 3.212 5.684 Start of MODEL 13 1 H1 ALA 1 HN ALA 1 -4.683 -4.194 0.176 2 HA ALA 1 HA ALA 1 -6.171 -2.206 -0.406 3 HB1 ALA 1 1HB ALA 1 -5.637 -2.412 -2.917 4 HB2 ALA 1 2HB ALA 1 -4.297 -2.356 -1.773 5 HB3 ALA 1 3HB ALA 1 -4.802 -3.898 -2.464 6 H THR 2 HN THR 2 -8.079 -1.565 -1.293 7 HA THR 2 HA THR 2 -10.132 -3.529 -1.584 8 HB THR 2 HB THR 2 -11.588 -1.592 -2.176 9 HG1 THR 2 1HG THR 2 -10.733 0.400 -2.387 10 HG21 THR 2 1HG2 THR 2 -11.774 -0.882 0.001 11 HG22 THR 2 2HG2 THR 2 -10.030 -0.744 0.220 12 HG23 THR 2 3HG2 THR 2 -10.797 -2.332 0.230 13 HA PRO 3 HA PRO 3 -10.003 -4.310 -5.907 14 HB2 PRO 3 2HB PRO 3 -12.632 -4.769 -6.408 15 HB3 PRO 3 3HB PRO 3 -11.606 -5.913 -5.533 16 HG2 PRO 3 2HG PRO 3 -13.551 -3.906 -4.459 17 HG3 PRO 3 3HG PRO 3 -13.285 -5.586 -3.958 18 HD2 PRO 3 2HD PRO 3 -12.268 -3.481 -2.593 19 HD3 PRO 3 3HD PRO 3 -11.440 -5.048 -2.687 20 H GLU 4 HN GLU 4 -12.145 -1.829 -4.674 21 HA GLU 4 HA GLU 4 -12.805 -0.727 -7.231 22 HB2 GLU 4 2HB GLU 4 -14.103 -0.506 -5.012 23 HB3 GLU 4 3HB GLU 4 -12.955 0.769 -4.628 24 HG2 GLU 4 2HG GLU 4 -13.728 1.543 -7.089 25 HG3 GLU 4 3HG GLU 4 -15.196 0.747 -6.527 26 H GLU 5 HN GLU 5 -10.177 -0.404 -5.022 27 HA GLU 5 HA GLU 5 -9.250 2.081 -6.230 28 HB2 GLU 5 2HB GLU 5 -8.294 0.411 -3.916 29 HB3 GLU 5 3HB GLU 5 -7.318 1.717 -4.574 30 HG2 GLU 5 2HG GLU 5 -10.120 2.049 -3.531 31 HG3 GLU 5 3HG GLU 5 -8.658 2.354 -2.594 32 H LEU 6 HN LEU 6 -8.367 -1.327 -6.035 33 HA LEU 6 HA LEU 6 -5.888 -1.154 -7.352 34 HB2 LEU 6 2HB LEU 6 -7.851 -3.314 -6.794 35 HB3 LEU 6 3HB LEU 6 -6.604 -3.621 -8.001 36 HG LEU 6 HG LEU 6 -6.005 -2.763 -5.176 37 HD11 LEU 6 1HD1 LEU 6 -5.560 -5.057 -4.650 38 HD12 LEU 6 2HD1 LEU 6 -5.934 -5.557 -6.299 39 HD13 LEU 6 3HD1 LEU 6 -7.212 -4.932 -5.256 40 HD21 LEU 6 1HD2 LEU 6 -4.095 -4.296 -6.817 41 HD22 LEU 6 2HD2 LEU 6 -3.818 -2.963 -5.696 42 HD23 LEU 6 3HD2 LEU 6 -4.400 -2.636 -7.329 43 H GLN 7 HN GLN 7 -9.163 -1.734 -8.578 44 HA GLN 7 HA GLN 7 -8.364 -2.060 -11.288 45 HB2 GLN 7 2HB GLN 7 -10.724 -2.376 -9.833 46 HB3 GLN 7 3HB GLN 7 -11.078 -1.088 -10.977 47 HG2 GLN 7 2HG GLN 7 -9.684 -3.277 -12.244 48 HG3 GLN 7 3HG GLN 7 -11.162 -3.817 -11.451 49 HE21 GLN 7 1HE2 GLN 7 -13.124 -2.531 -11.939 50 HE22 GLN 7 2HE2 GLN 7 -13.320 -1.938 -13.549 51 H ALA 8 HN ALA 8 -8.646 0.652 -9.282 52 HA ALA 8 HA ALA 8 -9.155 2.511 -11.469 53 HB1 ALA 8 1HB ALA 8 -9.406 4.190 -9.839 54 HB2 ALA 8 2HB ALA 8 -10.162 2.752 -9.152 55 HB3 ALA 8 3HB ALA 8 -8.555 3.243 -8.617 56 H MET 9 HN MET 9 -6.583 0.824 -10.756 57 HA MET 9 HA MET 9 -4.752 2.912 -11.622 58 HB2 MET 9 2HB MET 9 -3.082 2.321 -9.892 59 HB3 MET 9 3HB MET 9 -4.535 3.041 -9.213 60 HG2 MET 9 2HG MET 9 -5.053 1.205 -8.049 61 HG3 MET 9 3HG MET 9 -4.605 0.123 -9.366 62 HE1 MET 9 1HE MET 9 -1.233 -1.042 -8.783 63 HE2 MET 9 2HE MET 9 -2.558 -0.735 -9.905 64 HE3 MET 9 3HE MET 9 -1.246 0.434 -9.747 65 H ASP 10 HN ASP 10 -5.965 0.396 -12.667 66 HA ASP 10 HA ASP 10 -5.300 -1.220 -14.135 67 HB2 ASP 10 2HB ASP 10 -3.327 0.519 -14.424 68 HB3 ASP 10 3HB ASP 10 -2.401 -0.732 -13.601 69 H ASN 11 HN ASN 11 -4.686 -1.131 -10.911 70 HA ASN 11 HA ASN 11 -3.910 -2.633 -9.342 71 HB2 ASN 11 2HB ASN 11 -5.303 -4.509 -9.233 72 HB3 ASN 11 3HB ASN 11 -6.240 -3.372 -10.197 73 HD21 ASN 11 1HD2 ASN 11 -4.732 -6.418 -10.087 74 HD22 ASN 11 2HD2 ASN 11 -5.093 -6.916 -11.701 75 H VAL 12 HN VAL 12 -2.007 -2.261 -11.434 76 HA VAL 12 HA VAL 12 -0.800 -4.950 -11.541 77 HB VAL 12 HB VAL 12 -0.875 -2.776 -13.593 78 HG11 VAL 12 1HG1 VAL 12 1.374 -2.912 -13.751 79 HG12 VAL 12 2HG1 VAL 12 1.445 -4.477 -12.939 80 HG13 VAL 12 3HG1 VAL 12 1.004 -4.386 -14.644 81 HG21 VAL 12 1HG2 VAL 12 -0.744 -5.442 -14.604 82 HG22 VAL 12 2HG2 VAL 12 -1.942 -5.374 -13.311 83 HG23 VAL 12 3HG2 VAL 12 -2.074 -4.287 -14.693 84 H CYS 13 HN CYS 13 1.080 -5.178 -10.525 85 HA CYS 13 HA CYS 13 2.275 -3.018 -9.119 86 HB2 CYS 13 2HB CYS 13 2.350 -5.305 -8.257 87 HB3 CYS 13 3HB CYS 13 3.305 -5.814 -9.646 88 H ILE 14 HN ILE 14 3.535 -1.503 -9.952 89 HA ILE 14 HA ILE 14 4.643 -1.632 -12.549 90 HB ILE 14 HB ILE 14 4.059 0.443 -11.081 91 HG12 ILE 14 2HG1 ILE 14 4.790 0.702 -13.343 92 HG13 ILE 14 3HG1 ILE 14 5.765 1.792 -12.363 93 HG21 ILE 14 1HG2 ILE 14 6.948 0.003 -10.338 94 HG22 ILE 14 2HG2 ILE 14 6.003 1.448 -9.987 95 HG23 ILE 14 3HG2 ILE 14 5.569 -0.092 -9.244 96 HD11 ILE 14 1HD1 ILE 14 7.344 0.862 -13.733 97 HD12 ILE 14 2HD1 ILE 14 7.440 -0.206 -12.331 98 HD13 ILE 14 3HD1 ILE 14 6.549 -0.711 -13.767 99 H ILE 15 HN ILE 15 6.102 -1.916 -9.323 100 HA ILE 15 HA ILE 15 8.731 -2.012 -9.718 101 HB ILE 15 HB ILE 15 7.169 -4.116 -8.219 102 HG12 ILE 15 2HG1 ILE 15 8.678 -1.929 -6.881 103 HG13 ILE 15 3HG1 ILE 15 7.183 -1.490 -7.698 104 HG21 ILE 15 1HG2 ILE 15 10.000 -3.879 -8.750 105 HG22 ILE 15 2HG2 ILE 15 9.657 -3.816 -7.023 106 HG23 ILE 15 3HG2 ILE 15 9.104 -5.189 -7.983 107 HD11 ILE 15 1HD1 ILE 15 7.610 -3.170 -5.293 108 HD12 ILE 15 2HD1 ILE 15 6.395 -1.934 -5.612 109 HD13 ILE 15 3HD1 ILE 15 6.238 -3.532 -6.339 110 H CYS 16 HN CYS 16 6.595 -4.752 -10.496 111 HA CYS 16 HA CYS 16 8.740 -5.817 -12.214 112 HB2 CYS 16 2HB CYS 16 7.688 -8.041 -11.892 113 HB3 CYS 16 3HB CYS 16 8.263 -7.337 -10.384 114 H ARG 17 HN ARG 17 5.860 -4.228 -12.287 115 HA ARG 17 HA ARG 17 4.193 -3.936 -13.818 116 HB2 ARG 17 2HB ARG 17 6.618 -4.543 -15.478 117 HB3 ARG 17 3HB ARG 17 5.064 -4.270 -16.253 118 HG2 ARG 17 2HG ARG 17 5.153 -2.130 -14.627 119 HG3 ARG 17 3HG ARG 17 6.877 -2.375 -14.918 120 HD2 ARG 17 2HD ARG 17 5.129 -2.534 -17.287 121 HD3 ARG 17 3HD ARG 17 5.268 -0.944 -16.538 122 HE ARG 17 HE ARG 17 7.473 -0.840 -17.211 123 HH11 ARG 17 1HH1 ARG 17 6.202 -4.035 -17.756 124 HH12 ARG 17 2HH1 ARG 17 7.551 -4.550 -18.714 125 HH21 ARG 17 1HH2 ARG 17 9.255 -1.506 -18.470 126 HH22 ARG 17 2HH2 ARG 17 9.287 -3.111 -19.119 127 H GLU 18 HN GLU 18 3.440 -6.069 -12.698 128 HA GLU 18 HA GLU 18 2.963 -8.054 -14.824 129 HB2 GLU 18 2HB GLU 18 3.534 -8.454 -11.901 130 HB3 GLU 18 3HB GLU 18 2.659 -9.668 -12.824 131 HG2 GLU 18 2HG GLU 18 5.429 -8.650 -13.417 132 HG3 GLU 18 3HG GLU 18 5.023 -10.202 -12.686 133 H GLU 19 HN GLU 19 1.535 -8.249 -11.660 134 HA GLU 19 HA GLU 19 -0.854 -6.831 -12.219 135 HB2 GLU 19 2HB GLU 19 -0.705 -9.372 -13.417 136 HB3 GLU 19 3HB GLU 19 -1.760 -9.561 -12.023 137 HG2 GLU 19 2HG GLU 19 -2.757 -7.289 -13.064 138 HG3 GLU 19 3HG GLU 19 -2.177 -8.079 -14.530 139 H MET 20 HN MET 20 -2.368 -6.916 -10.483 140 HA MET 20 HA MET 20 -1.418 -8.320 -8.080 141 HB2 MET 20 2HB MET 20 -2.044 -5.414 -8.426 142 HB3 MET 20 3HB MET 20 -2.352 -6.180 -6.874 143 HG2 MET 20 2HG MET 20 -0.041 -6.799 -6.661 144 HG3 MET 20 3HG MET 20 0.305 -6.204 -8.283 145 HE1 MET 20 1HE MET 20 -0.668 -3.977 -8.949 146 HE2 MET 20 2HE MET 20 -1.412 -2.877 -7.788 147 HE3 MET 20 3HE MET 20 0.264 -2.635 -8.283 148 H VAL 21 HN VAL 21 -2.980 -9.858 -7.989 149 HA VAL 21 HA VAL 21 -5.784 -9.056 -8.224 150 HB VAL 21 HB VAL 21 -6.134 -11.602 -7.972 151 HG11 VAL 21 1HG1 VAL 21 -6.545 -10.516 -10.052 152 HG12 VAL 21 2HG1 VAL 21 -4.818 -10.352 -10.376 153 HG13 VAL 21 3HG1 VAL 21 -5.572 -11.947 -10.390 154 HG21 VAL 21 1HG2 VAL 21 -3.785 -11.975 -7.170 155 HG22 VAL 21 2HG2 VAL 21 -4.292 -13.021 -8.495 156 HG23 VAL 21 3HG2 VAL 21 -3.242 -11.642 -8.814 157 H THR 22 HN THR 22 -3.421 -9.952 -5.882 158 HA THR 22 HA THR 22 -4.939 -9.169 -3.683 159 HB THR 22 HB THR 22 -6.378 -11.009 -3.829 160 HG1 THR 22 1HG THR 22 -5.837 -11.140 -1.753 161 HG21 THR 22 1HG2 THR 22 -5.892 -12.829 -5.018 162 HG22 THR 22 2HG2 THR 22 -4.624 -13.273 -3.875 163 HG23 THR 22 3HG2 THR 22 -4.254 -12.216 -5.237 164 H GLY 23 HN GLY 23 -3.844 -9.491 -1.651 165 HA2 GLY 23 1HA GLY 23 -2.020 -10.008 -0.298 166 HA3 GLY 23 2HA GLY 23 -1.271 -10.822 -1.664 167 H ALA 24 HN ALA 24 -2.453 -7.488 -1.421 168 HA ALA 24 HA ALA 24 0.313 -6.524 -1.572 169 HB1 ALA 24 1HB ALA 24 -0.456 -4.848 -3.306 170 HB2 ALA 24 2HB ALA 24 -0.290 -6.516 -3.855 171 HB3 ALA 24 3HB ALA 24 -1.888 -5.857 -3.508 172 H LYS 25 HN LYS 25 0.494 -4.193 -1.117 173 HA LYS 25 HA LYS 25 -1.592 -3.341 0.779 174 HB2 LYS 25 2HB LYS 25 1.213 -2.264 0.757 175 HB3 LYS 25 3HB LYS 25 0.052 -2.285 2.078 176 HG2 LYS 25 2HG LYS 25 1.362 -4.741 0.933 177 HG3 LYS 25 3HG LYS 25 1.930 -3.874 2.362 178 HD2 LYS 25 2HD LYS 25 -0.880 -4.421 2.595 179 HD3 LYS 25 3HD LYS 25 -0.003 -5.911 2.238 180 HE2 LYS 25 2HE LYS 25 1.323 -5.724 4.155 181 HE3 LYS 25 3HE LYS 25 0.944 -4.014 4.360 182 HZ1 LYS 25 1HZ LYS 25 -0.681 -6.370 5.032 183 HZ2 LYS 25 2HZ LYS 25 -1.455 -4.910 4.667 184 HZ3 LYS 25 3HZ LYS 25 -0.362 -4.988 5.956 185 H ARG 26 HN ARG 26 -1.213 -0.764 1.119 186 HA ARG 26 HA ARG 26 -1.286 0.446 -1.564 187 HB2 ARG 26 2HB ARG 26 -3.566 0.183 -0.643 188 HB3 ARG 26 3HB ARG 26 -3.093 1.132 0.760 189 HG2 ARG 26 2HG ARG 26 -2.483 2.949 -0.981 190 HG3 ARG 26 3HG ARG 26 -3.523 2.015 -2.059 191 HD2 ARG 26 2HD ARG 26 -4.720 3.844 -0.906 192 HD3 ARG 26 3HD ARG 26 -5.383 2.252 -0.546 193 HE ARG 26 HE ARG 26 -3.440 3.209 1.362 194 HH11 ARG 26 1HH1 ARG 26 -6.803 3.075 0.471 195 HH12 ARG 26 2HH1 ARG 26 -7.376 3.362 2.081 196 HH21 ARG 26 1HH2 ARG 26 -4.182 3.588 3.486 197 HH22 ARG 26 2HH2 ARG 26 -5.884 3.655 3.794 198 H LEU 27 HN LEU 27 -0.286 2.392 -1.808 199 HA LEU 27 HA LEU 27 1.355 3.285 0.433 200 HB2 LEU 27 2HB LEU 27 1.405 3.839 -2.519 201 HB3 LEU 27 3HB LEU 27 2.389 4.751 -1.377 202 HG LEU 27 HG LEU 27 2.558 1.783 -1.901 203 HD11 LEU 27 1HD1 LEU 27 4.268 2.176 -3.305 204 HD12 LEU 27 2HD1 LEU 27 4.862 3.547 -2.367 205 HD13 LEU 27 3HD1 LEU 27 3.511 3.759 -3.480 206 HD21 LEU 27 1HD2 LEU 27 3.314 1.788 0.224 207 HD22 LEU 27 2HD2 LEU 27 3.647 3.520 0.217 208 HD23 LEU 27 3HD2 LEU 27 4.788 2.399 -0.528 209 HA PRO 28 HA PRO 28 -0.986 6.897 1.301 210 HB2 PRO 28 2HB PRO 28 0.978 8.619 2.045 211 HB3 PRO 28 3HB PRO 28 0.457 7.262 3.051 212 HG2 PRO 28 2HG PRO 28 2.823 7.470 1.230 213 HG3 PRO 28 3HG PRO 28 2.724 6.778 2.859 214 HD2 PRO 28 2HD PRO 28 2.706 5.251 0.624 215 HD3 PRO 28 3HD PRO 28 1.828 4.795 2.099 216 H CYS 29 HN CYS 29 0.931 6.638 -1.379 217 HA CYS 29 HA CYS 29 0.445 9.407 -2.242 218 HB2 CYS 29 2HB CYS 29 2.058 8.764 -4.117 219 HB3 CYS 29 3HB CYS 29 2.740 8.920 -2.501 220 H ASN 30 HN ASN 30 -1.030 6.518 -2.358 221 HA ASN 30 HA ASN 30 -2.888 5.888 -3.562 222 HB2 ASN 30 2HB ASN 30 -2.714 8.468 -4.331 223 HB3 ASN 30 3HB ASN 30 -2.363 7.678 -5.866 224 HD21 ASN 30 1HD2 ASN 30 -4.509 9.091 -5.976 225 HD22 ASN 30 2HD2 ASN 30 -5.953 8.150 -5.858 226 H HIS 31 HN HIS 31 -0.681 4.405 -3.660 227 HA HIS 31 HA HIS 31 -0.785 3.293 -6.338 228 HB2 HIS 31 2HB HIS 31 1.829 4.157 -5.083 229 HB3 HIS 31 3HB HIS 31 1.682 3.185 -6.544 230 HD2 HIS 31 2HD HIS 31 -0.395 4.899 -8.277 231 HE1 HIS 31 1HE HIS 31 2.136 8.209 -7.484 232 HE2 HIS 31 2HE HIS 31 0.244 7.328 -8.893 233 H ILE 32 HN ILE 32 -0.847 1.140 -6.244 234 HA ILE 32 HA ILE 32 -0.049 -0.150 -3.721 235 HB ILE 32 HB ILE 32 -2.093 -0.985 -5.776 236 HG12 ILE 32 2HG1 ILE 32 -2.792 -0.813 -2.922 237 HG13 ILE 32 3HG1 ILE 32 -2.348 0.724 -3.655 238 HG21 ILE 32 1HG2 ILE 32 -2.311 -2.695 -3.609 239 HG22 ILE 32 2HG2 ILE 32 -1.659 -3.089 -5.199 240 HG23 ILE 32 3HG2 ILE 32 -0.575 -2.585 -3.902 241 HD11 ILE 32 1HD1 ILE 32 -4.735 0.392 -3.766 242 HD12 ILE 32 2HD1 ILE 32 -4.045 0.362 -5.388 243 HD13 ILE 32 3HD1 ILE 32 -4.508 -1.145 -4.599 244 H PHE 33 HN PHE 33 1.375 -1.810 -3.721 245 HA PHE 33 HA PHE 33 2.188 -3.014 -6.252 246 HB2 PHE 33 2HB PHE 33 4.231 -1.853 -4.354 247 HB3 PHE 33 3HB PHE 33 4.529 -2.579 -5.929 248 HD1 PHE 33 1HD PHE 33 3.434 0.399 -4.148 249 HD2 PHE 33 2HD PHE 33 3.993 -1.374 -7.977 250 HE1 PHE 33 1HE PHE 33 3.253 2.617 -5.197 251 HE2 PHE 33 2HE PHE 33 3.814 0.841 -9.032 252 HZ PHE 33 HZ PHE 33 3.444 2.841 -7.642 253 H HIS 34 HN HIS 34 3.227 -5.032 -6.032 254 HA HIS 34 HA HIS 34 2.288 -6.809 -4.241 255 HB2 HIS 34 2HB HIS 34 5.015 -6.762 -5.535 256 HB3 HIS 34 3HB HIS 34 4.407 -8.147 -4.633 257 HD2 HIS 34 2HD HIS 34 1.414 -8.352 -5.892 258 HE1 HIS 34 1HE HIS 34 3.411 -8.491 -9.632 259 HE2 HIS 34 2HE HIS 34 1.236 -8.870 -8.420 260 H THR 35 HN THR 35 2.599 -7.401 -2.170 261 HA THR 35 HA THR 35 3.857 -5.653 -0.366 262 HB THR 35 HB THR 35 3.145 -8.544 0.155 263 HG1 THR 35 1HG THR 35 1.107 -7.721 0.744 264 HG21 THR 35 1HG2 THR 35 4.351 -6.587 1.776 265 HG22 THR 35 2HG2 THR 35 3.706 -8.151 2.276 266 HG23 THR 35 3HG2 THR 35 2.680 -6.717 2.322 267 H SER 36 HN SER 36 5.132 -8.135 -2.317 268 HA SER 36 HA SER 36 7.466 -8.539 -0.607 269 HB2 SER 36 2HB SER 36 7.885 -9.941 -2.979 270 HB3 SER 36 3HB SER 36 7.273 -10.608 -1.466 271 HG SER 36 HG SER 36 6.016 -10.565 -3.719 272 H CYS 37 HN CYS 37 6.557 -7.158 -3.715 273 HA CYS 37 HA CYS 37 9.185 -6.580 -4.604 274 HB2 CYS 37 2HB CYS 37 6.493 -5.429 -5.343 275 HB3 CYS 37 3HB CYS 37 7.991 -4.946 -6.132 276 H LEU 38 HN LEU 38 6.855 -4.834 -2.642 277 HA LEU 38 HA LEU 38 8.161 -2.329 -2.662 278 HB2 LEU 38 2HB LEU 38 6.191 -3.632 -0.818 279 HB3 LEU 38 3HB LEU 38 6.879 -2.054 -0.443 280 HG LEU 38 HG LEU 38 5.163 -2.772 -2.816 281 HD11 LEU 38 1HD1 LEU 38 3.537 -1.331 -1.847 282 HD12 LEU 38 2HD1 LEU 38 4.661 -0.802 -0.596 283 HD13 LEU 38 3HD1 LEU 38 4.055 -2.457 -0.592 284 HD21 LEU 38 1HD2 LEU 38 6.826 -0.363 -2.213 285 HD22 LEU 38 2HD2 LEU 38 5.309 -0.188 -3.096 286 HD23 LEU 38 3HD2 LEU 38 6.592 -1.214 -3.740 287 H ARG 39 HN ARG 39 8.084 -4.831 -0.115 288 HA ARG 39 HA ARG 39 9.984 -3.683 1.559 289 HB2 ARG 39 2HB ARG 39 9.503 -6.639 1.148 290 HB3 ARG 39 3HB ARG 39 10.220 -5.883 2.565 291 HG2 ARG 39 2HG ARG 39 8.076 -4.698 2.954 292 HG3 ARG 39 3HG ARG 39 7.379 -5.608 1.612 293 HD2 ARG 39 2HD ARG 39 8.432 -6.672 4.224 294 HD3 ARG 39 3HD ARG 39 6.778 -6.739 3.615 295 HE ARG 39 HE ARG 39 8.223 -8.097 1.751 296 HH11 ARG 39 1HH1 ARG 39 7.842 -8.351 5.202 297 HH12 ARG 39 2HH1 ARG 39 8.108 -10.062 5.237 298 HH21 ARG 39 1HH2 ARG 39 8.574 -10.350 1.784 299 HH22 ARG 39 2HH2 ARG 39 8.525 -11.198 3.292 300 H SER 40 HN SER 40 10.375 -5.488 -1.385 301 HA SER 40 HA SER 40 13.222 -5.883 -0.966 302 HB2 SER 40 2HB SER 40 11.523 -6.483 -3.400 303 HB3 SER 40 3HB SER 40 13.181 -7.021 -3.132 304 HG SER 40 HG SER 40 12.322 -8.669 -2.168 305 H TRP 41 HN TRP 41 11.082 -3.678 -2.568 306 HA TRP 41 HA TRP 41 13.073 -2.551 -4.304 307 HB2 TRP 41 2HB TRP 41 10.722 -2.461 -4.935 308 HB3 TRP 41 3HB TRP 41 10.343 -1.536 -3.485 309 HD1 TRP 41 1HD TRP 41 10.842 1.057 -3.519 310 HE1 TRP 41 1HE TRP 41 11.481 2.697 -5.396 311 HE3 TRP 41 3HE TRP 41 12.102 -2.316 -7.150 312 HZ2 TRP 41 2HZ TRP 41 12.398 2.578 -8.063 313 HZ3 TRP 41 3HZ TRP 41 12.850 -1.470 -9.336 314 HH2 TRP 41 2HH TRP 41 12.994 0.926 -9.782 315 H PHE 42 HN PHE 42 11.472 -1.505 -1.304 316 HA PHE 42 HA PHE 42 12.986 0.889 -1.060 317 HB2 PHE 42 2HB PHE 42 11.453 -0.651 1.045 318 HB3 PHE 42 3HB PHE 42 12.048 0.997 1.217 319 HD1 PHE 42 1HD PHE 42 11.372 2.217 -1.325 320 HD2 PHE 42 2HD PHE 42 9.152 -0.535 1.044 321 HE1 PHE 42 1HE PHE 42 9.279 3.074 -2.296 322 HE2 PHE 42 2HE PHE 42 7.056 0.316 0.076 323 HZ PHE 42 HZ PHE 42 7.119 2.122 -1.597 324 H GLN 43 HN GLN 43 13.726 -2.364 -0.502 325 HA GLN 43 HA GLN 43 15.380 -2.354 1.709 326 HB2 GLN 43 2HB GLN 43 15.013 -4.024 -0.643 327 HB3 GLN 43 3HB GLN 43 16.690 -4.003 -0.112 328 HG2 GLN 43 2HG GLN 43 15.002 -4.310 2.164 329 HG3 GLN 43 3HG GLN 43 14.542 -5.489 0.937 330 HE21 GLN 43 1HE2 GLN 43 15.581 -7.336 1.038 331 HE22 GLN 43 2HE2 GLN 43 17.166 -7.586 1.677 332 H ARG 44 HN ARG 44 16.077 -1.308 -1.584 333 HA ARG 44 HA ARG 44 18.678 -0.294 -0.640 334 HB2 ARG 44 2HB ARG 44 18.341 -0.534 -3.543 335 HB3 ARG 44 3HB ARG 44 19.689 -1.014 -2.521 336 HG2 ARG 44 2HG ARG 44 18.169 -2.968 -1.808 337 HG3 ARG 44 3HG ARG 44 17.236 -2.560 -3.250 338 HD2 ARG 44 2HD ARG 44 20.012 -2.621 -3.918 339 HD3 ARG 44 3HD ARG 44 19.594 -4.108 -3.066 340 HE ARG 44 HE ARG 44 18.956 -3.514 -5.719 341 HH11 ARG 44 1HH1 ARG 44 17.419 -4.740 -2.845 342 HH12 ARG 44 2HH1 ARG 44 16.266 -5.699 -3.714 343 HH21 ARG 44 1HH2 ARG 44 17.443 -4.773 -6.873 344 HH22 ARG 44 2HH2 ARG 44 16.282 -5.717 -6.005 345 H GLN 45 HN GLN 45 15.680 0.427 -2.217 346 HA GLN 45 HA GLN 45 16.578 3.182 -2.724 347 HB2 GLN 45 2HB GLN 45 14.699 1.367 -4.092 348 HB3 GLN 45 3HB GLN 45 14.146 3.029 -3.933 349 HG2 GLN 45 2HG GLN 45 15.260 2.755 -6.038 350 HG3 GLN 45 3HG GLN 45 16.230 3.796 -4.995 351 HE21 GLN 45 1HE2 GLN 45 16.172 1.005 -6.893 352 HE22 GLN 45 2HE2 GLN 45 17.740 0.401 -6.495 353 H GLN 46 HN GLN 46 14.589 4.758 -2.585 354 HA GLN 46 HA GLN 46 12.841 4.149 -0.343 355 HB2 GLN 46 2HB GLN 46 14.928 5.056 0.661 356 HB3 GLN 46 3HB GLN 46 14.702 6.529 -0.273 357 HG2 GLN 46 2HG GLN 46 13.086 7.307 1.082 358 HG3 GLN 46 3HG GLN 46 12.414 5.705 1.380 359 HE21 GLN 46 1HE2 GLN 46 12.851 7.730 3.323 360 HE22 GLN 46 2HE2 GLN 46 13.999 7.121 4.461 361 H THR 47 HN THR 47 12.455 4.653 -3.167 362 HA THR 47 HA THR 47 10.604 6.909 -2.930 363 HB THR 47 HB THR 47 11.555 7.013 -5.579 364 HG1 THR 47 1HG THR 47 13.838 7.638 -4.849 365 HG21 THR 47 1HG2 THR 47 12.415 8.935 -3.445 366 HG22 THR 47 2HG2 THR 47 10.717 8.809 -3.905 367 HG23 THR 47 3HG2 THR 47 11.924 9.261 -5.107 368 H CYS 48 HN CYS 48 8.662 6.521 -3.815 369 HA CYS 48 HA CYS 48 7.690 4.089 -4.457 370 HB2 CYS 48 2HB CYS 48 6.552 6.476 -4.352 371 HB3 CYS 48 3HB CYS 48 6.687 6.371 -6.105 372 HA PRO 49 HA PRO 49 9.643 2.848 -8.222 373 HB2 PRO 49 2HB PRO 49 7.990 0.779 -8.818 374 HB3 PRO 49 3HB PRO 49 9.212 0.696 -7.544 375 HG2 PRO 49 2HG PRO 49 6.272 1.216 -7.318 376 HG3 PRO 49 3HG PRO 49 7.307 0.184 -6.313 377 HD2 PRO 49 2HD PRO 49 6.542 2.666 -5.549 378 HD3 PRO 49 3HD PRO 49 8.106 1.965 -5.087 379 H THR 50 HN THR 50 6.789 4.471 -7.980 380 HA THR 50 HA THR 50 6.412 4.467 -10.902 381 HB THR 50 HB THR 50 4.546 3.382 -9.414 382 HG1 THR 50 1HG THR 50 3.721 5.358 -11.277 383 HG21 THR 50 1HG2 THR 50 2.831 5.001 -8.726 384 HG22 THR 50 2HG2 THR 50 3.916 6.324 -9.156 385 HG23 THR 50 3HG2 THR 50 4.336 5.231 -7.838 386 H CYS 51 HN CYS 51 5.902 6.304 -7.901 387 HA CYS 51 HA CYS 51 6.122 8.787 -9.469 388 HB2 CYS 51 2HB CYS 51 4.870 9.901 -7.758 389 HB3 CYS 51 3HB CYS 51 4.004 8.422 -8.161 390 H ARG 52 HN ARG 52 7.879 6.785 -7.523 391 HA ARG 52 HA ARG 52 9.603 7.082 -6.006 392 HB2 ARG 52 2HB ARG 52 10.231 8.690 -8.462 393 HB3 ARG 52 3HB ARG 52 11.380 8.612 -7.134 394 HG2 ARG 52 2HG ARG 52 11.148 6.065 -7.348 395 HG3 ARG 52 3HG ARG 52 10.423 6.410 -8.919 396 HD2 ARG 52 2HD ARG 52 12.882 7.894 -8.470 397 HD3 ARG 52 3HD ARG 52 13.119 6.149 -8.379 398 HE ARG 52 HE ARG 52 11.684 6.426 -10.638 399 HH11 ARG 52 1HH1 ARG 52 14.560 7.999 -9.466 400 HH12 ARG 52 2HH1 ARG 52 15.212 8.274 -11.048 401 HH21 ARG 52 1HH2 ARG 52 12.532 6.782 -12.726 402 HH22 ARG 52 2HH2 ARG 52 14.057 7.581 -12.902 403 H MET 53 HN MET 53 7.792 8.374 -4.735 404 HA MET 53 HA MET 53 8.846 11.073 -4.204 405 HB2 MET 53 2HB MET 53 6.504 10.993 -5.051 406 HB3 MET 53 3HB MET 53 6.061 10.046 -3.637 407 HG2 MET 53 2HG MET 53 6.526 11.858 -2.175 408 HG3 MET 53 3HG MET 53 7.270 12.789 -3.472 409 HE1 MET 53 1HE MET 53 3.697 10.793 -3.353 410 HE2 MET 53 2HE MET 53 4.173 11.467 -1.795 411 HE3 MET 53 3HE MET 53 2.810 12.158 -2.676 412 H ASP 54 HN ASP 54 9.128 8.094 -3.078 413 HA ASP 54 HA ASP 54 9.856 7.237 -1.096 414 HB2 ASP 54 2HB ASP 54 10.945 9.551 -0.916 415 HB3 ASP 54 3HB ASP 54 9.597 9.976 0.133 416 H VAL 55 HN VAL 55 8.965 6.391 0.807 417 HA VAL 55 HA VAL 55 6.352 7.395 1.652 418 HB VAL 55 HB VAL 55 5.471 5.024 1.669 419 HG11 VAL 55 1HG1 VAL 55 4.701 6.675 0.057 420 HG12 VAL 55 2HG1 VAL 55 6.057 6.293 -1.006 421 HG13 VAL 55 3HG1 VAL 55 4.811 5.084 -0.694 422 HG21 VAL 55 1HG2 VAL 55 7.768 4.574 -0.235 423 HG22 VAL 55 2HG2 VAL 55 7.634 3.896 1.388 424 HG23 VAL 55 3HG2 VAL 55 6.483 3.425 0.138 425 H LEU 56 HN LEU 56 8.945 5.034 2.162 426 HA LEU 56 HA LEU 56 8.355 4.112 4.675 427 HB2 LEU 56 2HB LEU 56 10.667 4.265 3.003 428 HB3 LEU 56 3HB LEU 56 11.131 4.629 4.663 429 HG LEU 56 HG LEU 56 9.928 2.457 5.285 430 HD11 LEU 56 1HD1 LEU 56 10.324 1.892 2.354 431 HD12 LEU 56 2HD1 LEU 56 8.764 2.261 3.088 432 HD13 LEU 56 3HD1 LEU 56 9.647 0.815 3.577 433 HD21 LEU 56 1HD2 LEU 56 12.344 2.079 3.540 434 HD22 LEU 56 2HD2 LEU 56 11.900 1.217 5.013 435 HD23 LEU 56 3HD2 LEU 56 12.434 2.895 5.101 Start of MODEL 14 1 H1 ALA 1 HN ALA 1 -4.754 -3.502 0.666 2 HA ALA 1 HA ALA 1 -5.874 -2.082 -0.717 3 HB1 ALA 1 1HB ALA 1 -5.121 -3.902 -2.987 4 HB2 ALA 1 2HB ALA 1 -5.373 -2.156 -3.015 5 HB3 ALA 1 3HB ALA 1 -3.959 -2.829 -2.206 6 H THR 2 HN THR 2 -7.677 -1.963 -2.399 7 HA THR 2 HA THR 2 -9.581 -4.150 -1.873 8 HB THR 2 HB THR 2 -11.155 -2.647 -1.382 9 HG1 THR 2 1HG THR 2 -11.922 -1.417 -2.955 10 HG21 THR 2 1HG2 THR 2 -9.082 -0.488 -1.749 11 HG22 THR 2 2HG2 THR 2 -9.119 -1.571 -0.356 12 HG23 THR 2 3HG2 THR 2 -10.471 -0.480 -0.663 13 HA PRO 3 HA PRO 3 -10.043 -5.019 -6.150 14 HB2 PRO 3 2HB PRO 3 -12.716 -5.426 -6.389 15 HB3 PRO 3 3HB PRO 3 -11.640 -6.566 -5.571 16 HG2 PRO 3 2HG PRO 3 -13.428 -4.472 -4.396 17 HG3 PRO 3 3HG PRO 3 -13.156 -6.141 -3.860 18 HD2 PRO 3 2HD PRO 3 -11.967 -4.018 -2.673 19 HD3 PRO 3 3HD PRO 3 -11.187 -5.610 -2.786 20 H GLU 4 HN GLU 4 -12.158 -2.519 -4.847 21 HA GLU 4 HA GLU 4 -12.927 -1.464 -7.386 22 HB2 GLU 4 2HB GLU 4 -14.001 -1.200 -4.981 23 HB3 GLU 4 3HB GLU 4 -12.963 0.218 -4.921 24 HG2 GLU 4 2HG GLU 4 -14.705 1.256 -5.853 25 HG3 GLU 4 3HG GLU 4 -14.117 0.532 -7.348 26 H GLU 5 HN GLU 5 -10.602 -0.438 -4.899 27 HA GLU 5 HA GLU 5 -9.638 1.783 -6.393 28 HB2 GLU 5 2HB GLU 5 -8.372 0.289 -4.090 29 HB3 GLU 5 3HB GLU 5 -7.818 1.833 -4.720 30 HG2 GLU 5 2HG GLU 5 -10.379 1.229 -3.281 31 HG3 GLU 5 3HG GLU 5 -9.078 2.313 -2.793 32 H LEU 6 HN LEU 6 -8.706 -1.584 -6.122 33 HA LEU 6 HA LEU 6 -6.184 -1.398 -7.369 34 HB2 LEU 6 2HB LEU 6 -8.135 -3.583 -6.842 35 HB3 LEU 6 3HB LEU 6 -6.823 -3.884 -7.979 36 HG LEU 6 HG LEU 6 -6.375 -2.953 -5.149 37 HD11 LEU 6 1HD1 LEU 6 -6.403 -5.064 -4.367 38 HD12 LEU 6 2HD1 LEU 6 -5.800 -5.749 -5.875 39 HD13 LEU 6 3HD1 LEU 6 -7.506 -5.330 -5.717 40 HD21 LEU 6 1HD2 LEU 6 -4.131 -3.376 -5.511 41 HD22 LEU 6 2HD2 LEU 6 -4.635 -2.697 -7.058 42 HD23 LEU 6 3HD2 LEU 6 -4.444 -4.441 -6.881 43 H GLN 7 HN GLN 7 -9.379 -2.260 -8.682 44 HA GLN 7 HA GLN 7 -8.477 -2.488 -11.363 45 HB2 GLN 7 2HB GLN 7 -10.850 -3.004 -9.969 46 HB3 GLN 7 3HB GLN 7 -11.275 -1.783 -11.163 47 HG2 GLN 7 2HG GLN 7 -10.171 -3.257 -12.884 48 HG3 GLN 7 3HG GLN 7 -10.098 -4.504 -11.640 49 HE21 GLN 7 1HE2 GLN 7 -11.562 -4.346 -14.212 50 HE22 GLN 7 2HE2 GLN 7 -13.215 -4.646 -13.811 51 H ALA 8 HN ALA 8 -8.679 0.171 -9.441 52 HA ALA 8 HA ALA 8 -9.516 1.999 -11.569 53 HB1 ALA 8 1HB ALA 8 -10.485 2.980 -9.815 54 HB2 ALA 8 2HB ALA 8 -9.494 2.089 -8.659 55 HB3 ALA 8 3HB ALA 8 -8.872 3.563 -9.403 56 H MET 9 HN MET 9 -6.778 0.470 -10.847 57 HA MET 9 HA MET 9 -5.137 2.598 -11.971 58 HB2 MET 9 2HB MET 9 -3.360 2.274 -10.294 59 HB3 MET 9 3HB MET 9 -4.838 2.898 -9.575 60 HG2 MET 9 2HG MET 9 -5.194 1.039 -8.350 61 HG3 MET 9 3HG MET 9 -4.533 -0.032 -9.583 62 HE1 MET 9 1HE MET 9 -0.860 -0.339 -8.818 63 HE2 MET 9 2HE MET 9 -2.306 -1.082 -9.501 64 HE3 MET 9 3HE MET 9 -1.688 0.428 -10.173 65 H ASP 10 HN ASP 10 -6.217 -0.015 -12.832 66 HA ASP 10 HA ASP 10 -5.480 -1.638 -14.269 67 HB2 ASP 10 2HB ASP 10 -3.465 0.139 -14.455 68 HB3 ASP 10 3HB ASP 10 -2.598 -1.207 -13.721 69 H ASN 11 HN ASN 11 -4.950 -1.430 -11.032 70 HA ASN 11 HA ASN 11 -4.188 -2.869 -9.396 71 HB2 ASN 11 2HB ASN 11 -5.561 -4.769 -9.257 72 HB3 ASN 11 3HB ASN 11 -6.499 -3.645 -10.236 73 HD21 ASN 11 1HD2 ASN 11 -4.942 -6.676 -10.101 74 HD22 ASN 11 2HD2 ASN 11 -5.319 -7.200 -11.704 75 H VAL 12 HN VAL 12 -2.221 -2.553 -11.404 76 HA VAL 12 HA VAL 12 -1.017 -5.244 -11.423 77 HB VAL 12 HB VAL 12 -1.009 -3.116 -13.530 78 HG11 VAL 12 1HG1 VAL 12 1.221 -3.328 -13.695 79 HG12 VAL 12 2HG1 VAL 12 1.252 -4.819 -12.753 80 HG13 VAL 12 3HG1 VAL 12 0.840 -4.867 -14.468 81 HG21 VAL 12 1HG2 VAL 12 -1.889 -4.719 -14.884 82 HG22 VAL 12 2HG2 VAL 12 -1.006 -6.027 -14.097 83 HG23 VAL 12 3HG2 VAL 12 -2.445 -5.351 -13.333 84 H CYS 13 HN CYS 13 0.848 -5.442 -10.370 85 HA CYS 13 HA CYS 13 1.976 -3.333 -8.896 86 HB2 CYS 13 2HB CYS 13 2.242 -5.617 -8.159 87 HB3 CYS 13 3HB CYS 13 3.099 -6.039 -9.639 88 H ILE 14 HN ILE 14 3.006 -1.640 -9.716 89 HA ILE 14 HA ILE 14 4.144 -1.547 -12.294 90 HB ILE 14 HB ILE 14 3.357 0.397 -10.765 91 HG12 ILE 14 2HG1 ILE 14 4.164 0.784 -13.003 92 HG13 ILE 14 3HG1 ILE 14 4.922 1.962 -11.937 93 HG21 ILE 14 1HG2 ILE 14 5.145 1.515 -9.542 94 HG22 ILE 14 2HG2 ILE 14 4.860 -0.103 -8.905 95 HG23 ILE 14 3HG2 ILE 14 6.252 0.204 -9.944 96 HD11 ILE 14 1HD1 ILE 14 6.735 1.326 -13.134 97 HD12 ILE 14 2HD1 ILE 14 6.811 0.107 -11.862 98 HD13 ILE 14 3HD1 ILE 14 6.112 -0.297 -13.430 99 H ILE 15 HN ILE 15 5.625 -1.832 -9.077 100 HA ILE 15 HA ILE 15 8.255 -1.665 -9.487 101 HB ILE 15 HB ILE 15 6.943 -3.976 -8.052 102 HG12 ILE 15 2HG1 ILE 15 8.091 -1.593 -6.670 103 HG13 ILE 15 3HG1 ILE 15 6.526 -1.421 -7.457 104 HG21 ILE 15 1HG2 ILE 15 9.723 -3.295 -8.506 105 HG22 ILE 15 2HG2 ILE 15 9.330 -3.373 -6.790 106 HG23 ILE 15 3HG2 ILE 15 9.016 -4.762 -7.829 107 HD11 ILE 15 1HD1 ILE 15 5.935 -3.575 -6.123 108 HD12 ILE 15 2HD1 ILE 15 7.294 -3.084 -5.112 109 HD13 ILE 15 3HD1 ILE 15 5.919 -2.002 -5.327 110 H CYS 16 HN CYS 16 6.430 -4.640 -10.220 111 HA CYS 16 HA CYS 16 8.631 -5.443 -12.005 112 HB2 CYS 16 2HB CYS 16 7.880 -7.749 -11.697 113 HB3 CYS 16 3HB CYS 16 8.230 -7.000 -10.143 114 H ARG 17 HN ARG 17 5.708 -4.025 -12.111 115 HA ARG 17 HA ARG 17 4.003 -3.862 -13.625 116 HB2 ARG 17 2HB ARG 17 6.426 -4.371 -15.336 117 HB3 ARG 17 3HB ARG 17 4.847 -4.062 -16.047 118 HG2 ARG 17 2HG ARG 17 5.014 -1.993 -14.326 119 HG3 ARG 17 3HG ARG 17 6.719 -2.227 -14.722 120 HD2 ARG 17 2HD ARG 17 4.515 -1.937 -16.759 121 HD3 ARG 17 3HD ARG 17 5.547 -0.616 -16.212 122 HE ARG 17 HE ARG 17 7.109 -2.788 -17.141 123 HH11 ARG 17 1HH1 ARG 17 5.102 -0.170 -18.252 124 HH12 ARG 17 2HH1 ARG 17 5.907 -0.028 -19.780 125 HH21 ARG 17 1HH2 ARG 17 8.177 -2.611 -19.149 126 HH22 ARG 17 2HH2 ARG 17 7.656 -1.418 -20.289 127 H GLU 18 HN GLU 18 3.492 -6.096 -12.470 128 HA GLU 18 HA GLU 18 3.156 -8.112 -14.594 129 HB2 GLU 18 2HB GLU 18 3.565 -8.423 -11.628 130 HB3 GLU 18 3HB GLU 18 2.880 -9.714 -12.604 131 HG2 GLU 18 2HG GLU 18 5.615 -8.493 -12.830 132 HG3 GLU 18 3HG GLU 18 5.198 -10.144 -12.373 133 H GLU 19 HN GLU 19 1.592 -8.319 -11.496 134 HA GLU 19 HA GLU 19 -0.852 -7.072 -12.219 135 HB2 GLU 19 2HB GLU 19 -0.492 -9.618 -13.328 136 HB3 GLU 19 3HB GLU 19 -1.556 -9.865 -11.950 137 HG2 GLU 19 2HG GLU 19 -3.246 -8.613 -12.850 138 HG3 GLU 19 3HG GLU 19 -2.152 -7.645 -13.836 139 H MET 20 HN MET 20 -2.412 -7.137 -10.542 140 HA MET 20 HA MET 20 -1.518 -8.415 -8.049 141 HB2 MET 20 2HB MET 20 -2.236 -5.550 -8.532 142 HB3 MET 20 3HB MET 20 -2.578 -6.271 -6.964 143 HG2 MET 20 2HG MET 20 -0.243 -6.814 -6.666 144 HG3 MET 20 3HG MET 20 0.128 -6.202 -8.276 145 HE1 MET 20 1HE MET 20 -0.294 -2.545 -8.172 146 HE2 MET 20 2HE MET 20 -0.931 -3.984 -8.967 147 HE3 MET 20 3HE MET 20 -1.923 -3.108 -7.799 148 H VAL 21 HN VAL 21 -3.023 -10.000 -7.931 149 HA VAL 21 HA VAL 21 -5.848 -9.288 -8.283 150 HB VAL 21 HB VAL 21 -6.133 -11.844 -8.064 151 HG11 VAL 21 1HG1 VAL 21 -5.530 -12.160 -10.460 152 HG12 VAL 21 2HG1 VAL 21 -6.488 -10.710 -10.148 153 HG13 VAL 21 3HG1 VAL 21 -4.751 -10.578 -10.425 154 HG21 VAL 21 1HG2 VAL 21 -4.323 -13.233 -8.217 155 HG22 VAL 21 2HG2 VAL 21 -3.327 -12.029 -9.035 156 HG23 VAL 21 3HG2 VAL 21 -3.605 -11.910 -7.297 157 H THR 22 HN THR 22 -3.514 -10.175 -5.896 158 HA THR 22 HA THR 22 -5.093 -9.436 -3.723 159 HB THR 22 HB THR 22 -6.460 -11.384 -4.128 160 HG1 THR 22 1HG THR 22 -4.772 -12.154 -1.989 161 HG21 THR 22 1HG2 THR 22 -5.705 -13.477 -4.614 162 HG22 THR 22 2HG2 THR 22 -4.252 -13.302 -3.630 163 HG23 THR 22 3HG2 THR 22 -4.330 -12.561 -5.229 164 H GLY 23 HN GLY 23 -3.870 -9.257 -1.898 165 HA2 GLY 23 1HA GLY 23 -2.113 -9.860 -0.424 166 HA3 GLY 23 2HA GLY 23 -1.360 -10.760 -1.732 167 H ALA 24 HN ALA 24 -2.437 -7.385 -1.325 168 HA ALA 24 HA ALA 24 0.310 -6.477 -1.690 169 HB1 ALA 24 1HB ALA 24 -1.941 -5.669 -3.524 170 HB2 ALA 24 2HB ALA 24 -0.368 -4.875 -3.456 171 HB3 ALA 24 3HB ALA 24 -0.484 -6.562 -3.959 172 H LYS 25 HN LYS 25 0.536 -4.132 -1.294 173 HA LYS 25 HA LYS 25 -1.453 -3.230 0.679 174 HB2 LYS 25 2HB LYS 25 1.408 -2.298 0.450 175 HB3 LYS 25 3HB LYS 25 0.296 -2.023 1.784 176 HG2 LYS 25 2HG LYS 25 1.472 -4.670 0.961 177 HG3 LYS 25 3HG LYS 25 1.926 -3.709 2.371 178 HD2 LYS 25 2HD LYS 25 -0.795 -3.967 2.659 179 HD3 LYS 25 3HD LYS 25 -0.325 -5.529 1.984 180 HE2 LYS 25 2HE LYS 25 1.605 -4.972 3.912 181 HE3 LYS 25 3HE LYS 25 0.084 -4.464 4.642 182 HZ1 LYS 25 1HZ LYS 25 0.420 -7.110 3.356 183 HZ2 LYS 25 2HZ LYS 25 -0.816 -6.605 4.394 184 HZ3 LYS 25 3HZ LYS 25 0.746 -6.851 4.996 185 H ARG 26 HN ARG 26 -1.000 -0.635 0.941 186 HA ARG 26 HA ARG 26 -1.166 0.532 -1.753 187 HB2 ARG 26 2HB ARG 26 -3.445 0.261 -0.922 188 HB3 ARG 26 3HB ARG 26 -3.024 1.104 0.563 189 HG2 ARG 26 2HG ARG 26 -2.868 3.166 -0.509 190 HG3 ARG 26 3HG ARG 26 -2.727 2.429 -2.106 191 HD2 ARG 26 2HD ARG 26 -4.909 3.150 -2.143 192 HD3 ARG 26 3HD ARG 26 -5.108 1.498 -1.559 193 HE ARG 26 HE ARG 26 -5.551 3.940 -0.074 194 HH11 ARG 26 1HH1 ARG 26 -5.055 0.497 0.061 195 HH12 ARG 26 2HH1 ARG 26 -5.780 0.323 1.624 196 HH21 ARG 26 1HH2 ARG 26 -6.508 3.723 1.985 197 HH22 ARG 26 2HH2 ARG 26 -6.607 2.158 2.718 198 H LEU 27 HN LEU 27 -0.092 2.407 -2.023 199 HA LEU 27 HA LEU 27 1.490 3.380 0.211 200 HB2 LEU 27 2HB LEU 27 1.482 4.048 -2.725 201 HB3 LEU 27 3HB LEU 27 2.540 4.824 -1.549 202 HG LEU 27 HG LEU 27 2.555 1.923 -2.373 203 HD11 LEU 27 1HD1 LEU 27 4.433 2.367 -3.574 204 HD12 LEU 27 2HD1 LEU 27 4.912 3.716 -2.543 205 HD13 LEU 27 3HD1 LEU 27 3.628 3.930 -3.733 206 HD21 LEU 27 1HD2 LEU 27 4.798 2.440 -0.828 207 HD22 LEU 27 2HD2 LEU 27 3.389 1.488 -0.357 208 HD23 LEU 27 3HD2 LEU 27 3.476 3.201 0.056 209 HA PRO 28 HA PRO 28 -0.924 6.934 1.121 210 HB2 PRO 28 2HB PRO 28 1.007 8.698 1.847 211 HB3 PRO 28 3HB PRO 28 0.531 7.326 2.855 212 HG2 PRO 28 2HG PRO 28 2.869 7.596 1.006 213 HG3 PRO 28 3HG PRO 28 2.805 6.896 2.634 214 HD2 PRO 28 2HD PRO 28 2.797 5.375 0.393 215 HD3 PRO 28 3HD PRO 28 1.948 4.895 1.876 216 H CYS 29 HN CYS 29 0.925 6.712 -1.595 217 HA CYS 29 HA CYS 29 0.349 9.472 -2.444 218 HB2 CYS 29 2HB CYS 29 2.011 8.988 -4.278 219 HB3 CYS 29 3HB CYS 29 2.686 9.022 -2.651 220 H ASN 30 HN ASN 30 -1.073 6.595 -2.524 221 HA ASN 30 HA ASN 30 -2.900 5.907 -3.741 222 HB2 ASN 30 2HB ASN 30 -2.923 8.401 -4.518 223 HB3 ASN 30 3HB ASN 30 -2.209 7.763 -5.996 224 HD21 ASN 30 1HD2 ASN 30 -4.879 8.968 -5.288 225 HD22 ASN 30 2HD2 ASN 30 -6.031 7.851 -5.930 226 H HIS 31 HN HIS 31 -0.147 4.926 -3.898 227 HA HIS 31 HA HIS 31 -0.296 3.626 -6.538 228 HB2 HIS 31 2HB HIS 31 2.111 4.609 -5.017 229 HB3 HIS 31 3HB HIS 31 2.249 3.381 -6.272 230 HD2 HIS 31 2HD HIS 31 0.300 4.761 -8.521 231 HE1 HIS 31 1HE HIS 31 2.916 8.078 -8.133 232 HE2 HIS 31 2HE HIS 31 1.104 7.008 -9.517 233 H ILE 32 HN ILE 32 -0.979 1.612 -6.222 234 HA ILE 32 HA ILE 32 -0.168 0.179 -3.799 235 HB ILE 32 HB ILE 32 -2.309 -0.407 -5.842 236 HG12 ILE 32 2HG1 ILE 32 -2.920 -0.198 -2.961 237 HG13 ILE 32 3HG1 ILE 32 -2.378 1.294 -3.721 238 HG21 ILE 32 1HG2 ILE 32 -2.211 -2.550 -5.277 239 HG22 ILE 32 2HG2 ILE 32 -0.910 -2.224 -4.133 240 HG23 ILE 32 3HG2 ILE 32 -2.591 -2.101 -3.615 241 HD11 ILE 32 1HD1 ILE 32 -4.743 -0.391 -4.495 242 HD12 ILE 32 2HD1 ILE 32 -4.755 1.230 -3.799 243 HD13 ILE 32 3HD1 ILE 32 -4.152 0.978 -5.436 244 H PHE 33 HN PHE 33 1.186 -1.513 -3.829 245 HA PHE 33 HA PHE 33 1.773 -2.865 -6.347 246 HB2 PHE 33 2HB PHE 33 3.984 -1.753 -4.613 247 HB3 PHE 33 3HB PHE 33 4.160 -2.589 -6.151 248 HD1 PHE 33 1HD PHE 33 2.362 -1.364 -7.952 249 HD2 PHE 33 2HD PHE 33 4.587 0.446 -4.806 250 HE1 PHE 33 1HE PHE 33 2.273 0.792 -9.134 251 HE2 PHE 33 2HE PHE 33 4.500 2.604 -5.983 252 HZ PHE 33 HZ PHE 33 3.341 2.781 -8.148 253 H HIS 34 HN HIS 34 3.210 -4.796 -5.975 254 HA HIS 34 HA HIS 34 2.098 -6.542 -4.155 255 HB2 HIS 34 2HB HIS 34 4.783 -6.550 -5.523 256 HB3 HIS 34 3HB HIS 34 4.270 -7.871 -4.478 257 HD2 HIS 34 2HD HIS 34 1.115 -7.914 -5.683 258 HE1 HIS 34 1HE HIS 34 3.122 -8.938 -9.278 259 HE2 HIS 34 2HE HIS 34 0.904 -8.842 -8.088 260 H THR 35 HN THR 35 2.533 -7.195 -2.095 261 HA THR 35 HA THR 35 3.784 -5.340 -0.352 262 HB THR 35 HB THR 35 3.169 -8.184 0.416 263 HG1 THR 35 1HG THR 35 1.003 -7.237 0.884 264 HG21 THR 35 1HG2 THR 35 2.363 -6.007 2.178 265 HG22 THR 35 2HG2 THR 35 4.094 -6.010 1.841 266 HG23 THR 35 3HG2 THR 35 3.326 -7.442 2.524 267 H SER 36 HN SER 36 4.955 -8.010 -2.154 268 HA SER 36 HA SER 36 7.305 -8.367 -0.469 269 HB2 SER 36 2HB SER 36 7.903 -10.142 -2.110 270 HB3 SER 36 3HB SER 36 6.310 -10.382 -1.391 271 HG SER 36 HG SER 36 6.998 -9.635 -3.999 272 H CYS 37 HN CYS 37 6.381 -6.979 -3.550 273 HA CYS 37 HA CYS 37 9.018 -6.542 -4.519 274 HB2 CYS 37 2HB CYS 37 6.344 -5.335 -5.232 275 HB3 CYS 37 3HB CYS 37 7.838 -4.880 -6.046 276 H LEU 38 HN LEU 38 6.762 -4.637 -2.602 277 HA LEU 38 HA LEU 38 8.225 -2.214 -2.676 278 HB2 LEU 38 2HB LEU 38 6.119 -3.317 -0.850 279 HB3 LEU 38 3HB LEU 38 6.892 -1.767 -0.523 280 HG LEU 38 HG LEU 38 5.310 -2.446 -3.002 281 HD11 LEU 38 1HD1 LEU 38 3.835 -2.309 -1.118 282 HD12 LEU 38 2HD1 LEU 38 3.681 -0.825 -2.059 283 HD13 LEU 38 3HD1 LEU 38 4.610 -0.826 -0.559 284 HD21 LEU 38 1HD2 LEU 38 5.680 0.349 -2.499 285 HD22 LEU 38 2HD2 LEU 38 6.132 -0.599 -3.916 286 HD23 LEU 38 3HD2 LEU 38 7.248 -0.457 -2.556 287 H ARG 39 HN ARG 39 7.996 -4.754 -0.187 288 HA ARG 39 HA ARG 39 9.839 -3.656 1.601 289 HB2 ARG 39 2HB ARG 39 9.079 -6.533 1.083 290 HB3 ARG 39 3HB ARG 39 10.091 -6.020 2.428 291 HG2 ARG 39 2HG ARG 39 8.117 -4.451 3.002 292 HG3 ARG 39 3HG ARG 39 7.183 -5.524 1.957 293 HD2 ARG 39 2HD ARG 39 6.879 -6.513 4.013 294 HD3 ARG 39 3HD ARG 39 8.268 -7.406 3.399 295 HE ARG 39 HE ARG 39 9.551 -6.489 5.060 296 HH11 ARG 39 1HH1 ARG 39 6.572 -4.707 4.793 297 HH12 ARG 39 2HH1 ARG 39 6.854 -3.768 6.221 298 HH21 ARG 39 1HH2 ARG 39 9.933 -5.258 6.943 299 HH22 ARG 39 2HH2 ARG 39 8.767 -4.081 7.443 300 H SER 40 HN SER 40 10.299 -5.610 -1.272 301 HA SER 40 HA SER 40 13.142 -5.926 -0.768 302 HB2 SER 40 2HB SER 40 11.635 -7.685 -1.870 303 HB3 SER 40 3HB SER 40 11.698 -6.667 -3.309 304 HG SER 40 HG SER 40 13.363 -8.068 -3.531 305 H TRP 41 HN TRP 41 11.012 -3.851 -2.529 306 HA TRP 41 HA TRP 41 12.931 -2.852 -4.387 307 HB2 TRP 41 2HB TRP 41 10.682 -2.563 -5.026 308 HB3 TRP 41 3HB TRP 41 10.231 -1.900 -3.457 309 HD1 TRP 41 1HD TRP 41 10.672 0.687 -3.041 310 HE1 TRP 41 1HE TRP 41 11.206 2.636 -4.634 311 HE3 TRP 41 3HE TRP 41 11.955 -1.993 -7.201 312 HZ2 TRP 41 2HZ TRP 41 12.058 2.991 -7.302 313 HZ3 TRP 41 3HZ TRP 41 12.617 -0.773 -9.232 314 HH2 TRP 41 2HH TRP 41 12.666 1.668 -9.280 315 H PHE 42 HN PHE 42 11.626 -1.629 -1.315 316 HA PHE 42 HA PHE 42 13.239 0.712 -1.288 317 HB2 PHE 42 2HB PHE 42 11.689 -0.726 0.865 318 HB3 PHE 42 3HB PHE 42 12.579 0.762 1.168 319 HD1 PHE 42 1HD PHE 42 9.479 -0.600 0.250 320 HD2 PHE 42 2HD PHE 42 12.016 2.745 -0.448 321 HE1 PHE 42 1HE PHE 42 7.539 0.707 -0.513 322 HE2 PHE 42 2HE PHE 42 10.081 4.059 -1.210 323 HZ PHE 42 HZ PHE 42 7.838 3.040 -1.242 324 H GLN 43 HN GLN 43 13.888 -2.556 -0.627 325 HA GLN 43 HA GLN 43 15.805 -2.414 1.393 326 HB2 GLN 43 2HB GLN 43 14.996 -4.338 -0.642 327 HB3 GLN 43 3HB GLN 43 16.718 -4.416 -0.292 328 HG2 GLN 43 2HG GLN 43 15.262 -4.242 2.159 329 HG3 GLN 43 3HG GLN 43 14.597 -5.539 1.166 330 HE21 GLN 43 1HE2 GLN 43 16.379 -6.905 0.097 331 HE22 GLN 43 2HE2 GLN 43 17.661 -7.402 1.142 332 H ARG 44 HN ARG 44 15.995 -1.586 -1.980 333 HA ARG 44 HA ARG 44 18.876 -1.055 -1.682 334 HB2 ARG 44 2HB ARG 44 17.469 -1.156 -4.331 335 HB3 ARG 44 3HB ARG 44 19.171 -1.413 -3.972 336 HG2 ARG 44 2HG ARG 44 17.975 -3.433 -2.571 337 HG3 ARG 44 3HG ARG 44 16.952 -3.304 -4.003 338 HD2 ARG 44 2HD ARG 44 19.293 -3.207 -5.226 339 HD3 ARG 44 3HD ARG 44 19.820 -4.053 -3.772 340 HE ARG 44 HE ARG 44 17.516 -5.303 -4.784 341 HH11 ARG 44 1HH1 ARG 44 20.883 -4.847 -5.545 342 HH12 ARG 44 2HH1 ARG 44 21.022 -6.337 -6.415 343 HH21 ARG 44 1HH2 ARG 44 17.687 -7.267 -5.929 344 HH22 ARG 44 2HH2 ARG 44 19.204 -7.713 -6.635 345 H GLN 45 HN GLN 45 15.776 0.294 -2.585 346 HA GLN 45 HA GLN 45 17.044 2.920 -2.974 347 HB2 GLN 45 2HB GLN 45 14.249 2.115 -3.778 348 HB3 GLN 45 3HB GLN 45 15.113 3.574 -4.243 349 HG2 GLN 45 2HG GLN 45 16.236 0.909 -4.963 350 HG3 GLN 45 3HG GLN 45 14.902 1.582 -5.901 351 HE21 GLN 45 1HE2 GLN 45 17.998 1.150 -6.140 352 HE22 GLN 45 2HE2 GLN 45 18.510 2.612 -6.907 353 H GLN 46 HN GLN 46 14.938 4.590 -2.557 354 HA GLN 46 HA GLN 46 13.766 4.010 0.034 355 HB2 GLN 46 2HB GLN 46 16.122 5.035 0.325 356 HB3 GLN 46 3HB GLN 46 15.383 6.530 -0.234 357 HG2 GLN 46 2HG GLN 46 14.590 6.940 1.785 358 HG3 GLN 46 3HG GLN 46 13.754 5.388 1.810 359 HE21 GLN 46 1HE2 GLN 46 14.643 6.329 4.141 360 HE22 GLN 46 2HE2 GLN 46 16.026 5.448 4.685 361 H THR 47 HN THR 47 13.088 4.760 -2.856 362 HA THR 47 HA THR 47 11.209 6.925 -2.169 363 HB THR 47 HB THR 47 11.611 6.951 -4.973 364 HG1 THR 47 1HG THR 47 13.633 6.065 -4.789 365 HG21 THR 47 1HG2 THR 47 12.051 9.224 -4.643 366 HG22 THR 47 2HG2 THR 47 12.772 8.950 -3.057 367 HG23 THR 47 3HG2 THR 47 11.029 8.794 -3.272 368 H CYS 48 HN CYS 48 9.528 7.006 -4.171 369 HA CYS 48 HA CYS 48 8.227 4.408 -4.084 370 HB2 CYS 48 2HB CYS 48 6.988 6.537 -3.612 371 HB3 CYS 48 3HB CYS 48 7.215 6.986 -5.299 372 HA PRO 49 HA PRO 49 9.600 3.240 -8.118 373 HB2 PRO 49 2HB PRO 49 7.842 1.211 -8.520 374 HB3 PRO 49 3HB PRO 49 9.233 1.076 -7.438 375 HG2 PRO 49 2HG PRO 49 6.366 1.631 -6.777 376 HG3 PRO 49 3HG PRO 49 7.516 0.560 -5.957 377 HD2 PRO 49 2HD PRO 49 6.913 3.031 -5.031 378 HD3 PRO 49 3HD PRO 49 8.513 2.296 -4.816 379 H THR 50 HN THR 50 8.450 5.502 -8.564 380 HA THR 50 HA THR 50 7.246 5.431 -11.002 381 HB THR 50 HB THR 50 5.259 4.424 -10.495 382 HG1 THR 50 1HG THR 50 3.784 5.994 -10.658 383 HG21 THR 50 1HG2 THR 50 5.925 5.234 -7.778 384 HG22 THR 50 2HG2 THR 50 5.036 3.822 -8.349 385 HG23 THR 50 3HG2 THR 50 4.200 5.356 -8.120 386 H CYS 51 HN CYS 51 6.158 7.100 -8.040 387 HA CYS 51 HA CYS 51 6.541 9.665 -9.358 388 HB2 CYS 51 2HB CYS 51 5.442 10.605 -7.365 389 HB3 CYS 51 3HB CYS 51 4.484 9.318 -8.088 390 H ARG 52 HN ARG 52 8.171 7.613 -7.152 391 HA ARG 52 HA ARG 52 10.158 7.788 -6.059 392 HB2 ARG 52 2HB ARG 52 10.325 9.927 -8.110 393 HB3 ARG 52 3HB ARG 52 11.475 10.015 -6.781 394 HG2 ARG 52 2HG ARG 52 11.586 7.369 -7.550 395 HG3 ARG 52 3HG ARG 52 11.413 8.243 -9.074 396 HD2 ARG 52 2HD ARG 52 13.258 9.739 -7.658 397 HD3 ARG 52 3HD ARG 52 13.682 8.073 -7.267 398 HE ARG 52 HE ARG 52 14.534 7.890 -9.367 399 HH11 ARG 52 1HH1 ARG 52 12.119 10.398 -9.383 400 HH12 ARG 52 2HH1 ARG 52 12.380 10.819 -11.044 401 HH21 ARG 52 1HH2 ARG 52 14.887 8.435 -11.554 402 HH22 ARG 52 2HH2 ARG 52 13.954 9.700 -12.277 403 H MET 53 HN MET 53 7.955 8.631 -4.672 404 HA MET 53 HA MET 53 8.788 11.101 -3.320 405 HB2 MET 53 2HB MET 53 6.577 11.362 -2.566 406 HB3 MET 53 3HB MET 53 6.412 10.797 -4.222 407 HG2 MET 53 2HG MET 53 4.927 9.392 -3.300 408 HG3 MET 53 3HG MET 53 6.370 8.445 -2.944 409 HE1 MET 53 1HE MET 53 3.284 10.194 -0.434 410 HE2 MET 53 2HE MET 53 4.409 11.548 -0.544 411 HE3 MET 53 3HE MET 53 3.791 10.793 -2.014 412 H ASP 54 HN ASP 54 9.661 11.028 -1.354 413 HA ASP 54 HA ASP 54 10.552 8.753 -0.110 414 HB2 ASP 54 2HB ASP 54 11.554 10.617 0.770 415 HB3 ASP 54 3HB ASP 54 10.056 11.542 0.797 416 H VAL 55 HN VAL 55 9.664 7.166 1.040 417 HA VAL 55 HA VAL 55 7.080 7.627 2.358 418 HB VAL 55 HB VAL 55 6.410 5.289 1.649 419 HG11 VAL 55 1HG1 VAL 55 5.389 6.039 -0.343 420 HG12 VAL 55 2HG1 VAL 55 5.569 7.471 0.672 421 HG13 VAL 55 3HG1 VAL 55 6.685 7.190 -0.664 422 HG21 VAL 55 1HG2 VAL 55 8.980 5.511 0.307 423 HG22 VAL 55 2HG2 VAL 55 8.007 4.083 0.656 424 HG23 VAL 55 3HG2 VAL 55 7.679 5.043 -0.786 425 H LEU 56 HN LEU 56 9.906 5.524 1.999 426 HA LEU 56 HA LEU 56 9.425 4.027 4.370 427 HB2 LEU 56 2HB LEU 56 10.800 2.906 2.917 428 HB3 LEU 56 3HB LEU 56 11.690 4.359 2.470 429 HG LEU 56 HG LEU 56 13.044 4.245 4.399 430 HD11 LEU 56 1HD1 LEU 56 10.857 2.545 5.436 431 HD12 LEU 56 2HD1 LEU 56 11.830 3.769 6.250 432 HD13 LEU 56 3HD1 LEU 56 12.493 2.159 5.970 433 HD21 LEU 56 1HD2 LEU 56 13.698 2.672 2.681 434 HD22 LEU 56 2HD2 LEU 56 12.609 1.452 3.344 435 HD23 LEU 56 3HD2 LEU 56 14.012 1.983 4.274 Start of MODEL 15 1 H1 ALA 1 HN ALA 1 -4.486 -3.095 0.628 2 HA ALA 1 HA ALA 1 -5.983 -1.625 -0.611 3 HB1 ALA 1 1HB ALA 1 -5.661 -2.583 -2.945 4 HB2 ALA 1 2HB ALA 1 -4.204 -2.306 -1.987 5 HB3 ALA 1 3HB ALA 1 -4.851 -3.938 -2.157 6 H THR 2 HN THR 2 -7.609 -1.831 -2.556 7 HA THR 2 HA THR 2 -9.666 -3.821 -1.868 8 HB THR 2 HB THR 2 -11.165 -2.268 -1.318 9 HG1 THR 2 1HG THR 2 -11.979 -1.060 -2.892 10 HG21 THR 2 1HG2 THR 2 -9.426 -1.098 -0.203 11 HG22 THR 2 2HG2 THR 2 -10.373 0.121 -1.055 12 HG23 THR 2 3HG2 THR 2 -8.826 -0.412 -1.711 13 HA PRO 3 HA PRO 3 -10.161 -4.615 -6.156 14 HB2 PRO 3 2HB PRO 3 -12.852 -4.807 -6.451 15 HB3 PRO 3 3HB PRO 3 -11.888 -6.032 -5.619 16 HG2 PRO 3 2HG PRO 3 -13.527 -3.808 -4.468 17 HG3 PRO 3 3HG PRO 3 -13.400 -5.495 -3.937 18 HD2 PRO 3 2HD PRO 3 -12.070 -3.479 -2.713 19 HD3 PRO 3 3HD PRO 3 -11.418 -5.126 -2.820 20 H GLU 4 HN GLU 4 -11.890 -1.881 -4.838 21 HA GLU 4 HA GLU 4 -12.556 -0.775 -7.419 22 HB2 GLU 4 2HB GLU 4 -13.716 -0.468 -5.046 23 HB3 GLU 4 3HB GLU 4 -12.599 0.887 -4.945 24 HG2 GLU 4 2HG GLU 4 -13.678 1.191 -7.444 25 HG3 GLU 4 3HG GLU 4 -15.039 0.579 -6.506 26 H GLU 5 HN GLU 5 -10.316 0.067 -4.784 27 HA GLU 5 HA GLU 5 -9.113 2.232 -6.164 28 HB2 GLU 5 2HB GLU 5 -8.001 0.567 -3.899 29 HB3 GLU 5 3HB GLU 5 -7.395 2.133 -4.418 30 HG2 GLU 5 2HG GLU 5 -10.254 1.984 -3.685 31 HG3 GLU 5 3HG GLU 5 -9.079 1.828 -2.379 32 H LEU 6 HN LEU 6 -8.402 -1.201 -5.945 33 HA LEU 6 HA LEU 6 -5.845 -1.128 -7.136 34 HB2 LEU 6 2HB LEU 6 -7.916 -3.230 -6.704 35 HB3 LEU 6 3HB LEU 6 -6.554 -3.573 -7.767 36 HG LEU 6 HG LEU 6 -6.212 -2.662 -4.918 37 HD11 LEU 6 1HD1 LEU 6 -6.535 -5.433 -6.033 38 HD12 LEU 6 2HD1 LEU 6 -7.399 -4.679 -4.693 39 HD13 LEU 6 3HD1 LEU 6 -5.699 -5.113 -4.513 40 HD21 LEU 6 1HD2 LEU 6 -4.202 -4.363 -6.173 41 HD22 LEU 6 2HD2 LEU 6 -4.015 -2.857 -5.276 42 HD23 LEU 6 3HD2 LEU 6 -4.422 -2.816 -6.991 43 H GLN 7 HN GLN 7 -9.052 -1.834 -8.516 44 HA GLN 7 HA GLN 7 -8.122 -2.094 -11.180 45 HB2 GLN 7 2HB GLN 7 -10.540 -2.480 -9.834 46 HB3 GLN 7 3HB GLN 7 -10.877 -1.212 -11.004 47 HG2 GLN 7 2HG GLN 7 -9.355 -3.333 -12.211 48 HG3 GLN 7 3HG GLN 7 -10.818 -3.958 -11.452 49 HE21 GLN 7 1HE2 GLN 7 -11.660 -4.461 -13.500 50 HE22 GLN 7 2HE2 GLN 7 -12.307 -3.237 -14.533 51 H ALA 8 HN ALA 8 -8.468 0.598 -9.202 52 HA ALA 8 HA ALA 8 -9.044 2.461 -11.364 53 HB1 ALA 8 1HB ALA 8 -8.264 3.425 -8.669 54 HB2 ALA 8 2HB ALA 8 -9.509 4.017 -9.769 55 HB3 ALA 8 3HB ALA 8 -9.792 2.557 -8.821 56 H MET 9 HN MET 9 -6.449 0.787 -10.824 57 HA MET 9 HA MET 9 -4.666 2.862 -11.766 58 HB2 MET 9 2HB MET 9 -2.954 2.462 -10.068 59 HB3 MET 9 3HB MET 9 -4.435 3.059 -9.333 60 HG2 MET 9 2HG MET 9 -4.721 1.209 -8.122 61 HG3 MET 9 3HG MET 9 -4.285 0.150 -9.461 62 HE1 MET 9 1HE MET 9 -2.265 -1.048 -9.720 63 HE2 MET 9 2HE MET 9 -1.348 0.363 -10.245 64 HE3 MET 9 3HE MET 9 -0.694 -0.702 -9.000 65 H ASP 10 HN ASP 10 -5.867 0.292 -12.666 66 HA ASP 10 HA ASP 10 -5.173 -1.313 -14.153 67 HB2 ASP 10 2HB ASP 10 -3.142 0.316 -14.408 68 HB3 ASP 10 3HB ASP 10 -2.296 -0.877 -13.427 69 H ASN 11 HN ASN 11 -4.508 -1.165 -10.877 70 HA ASN 11 HA ASN 11 -3.947 -2.699 -9.270 71 HB2 ASN 11 2HB ASN 11 -5.454 -4.474 -9.173 72 HB3 ASN 11 3HB ASN 11 -6.279 -3.339 -10.236 73 HD21 ASN 11 1HD2 ASN 11 -4.843 -6.427 -9.933 74 HD22 ASN 11 2HD2 ASN 11 -5.171 -6.986 -11.535 75 H VAL 12 HN VAL 12 -2.007 -2.474 -11.408 76 HA VAL 12 HA VAL 12 -0.885 -5.201 -11.337 77 HB VAL 12 HB VAL 12 -0.908 -3.173 -13.533 78 HG11 VAL 12 1HG1 VAL 12 0.929 -4.908 -14.468 79 HG12 VAL 12 2HG1 VAL 12 1.335 -3.375 -13.694 80 HG13 VAL 12 3HG1 VAL 12 1.374 -4.871 -12.762 81 HG21 VAL 12 1HG2 VAL 12 -0.843 -5.914 -14.345 82 HG22 VAL 12 2HG2 VAL 12 -2.047 -5.709 -13.073 83 HG23 VAL 12 3HG2 VAL 12 -2.135 -4.729 -14.538 84 H CYS 13 HN CYS 13 1.029 -5.429 -10.375 85 HA CYS 13 HA CYS 13 2.258 -3.313 -8.988 86 HB2 CYS 13 2HB CYS 13 2.473 -5.615 -8.237 87 HB3 CYS 13 3HB CYS 13 3.329 -6.046 -9.714 88 H ILE 14 HN ILE 14 3.282 -1.663 -9.901 89 HA ILE 14 HA ILE 14 4.339 -1.671 -12.514 90 HB ILE 14 HB ILE 14 3.636 0.334 -11.023 91 HG12 ILE 14 2HG1 ILE 14 4.376 0.634 -13.297 92 HG13 ILE 14 3HG1 ILE 14 5.187 1.832 -12.293 93 HG21 ILE 14 1HG2 ILE 14 5.190 -0.136 -9.197 94 HG22 ILE 14 2HG2 ILE 14 6.552 0.110 -10.288 95 HG23 ILE 14 3HG2 ILE 14 5.484 1.456 -9.893 96 HD11 ILE 14 1HD1 ILE 14 6.294 -0.489 -13.752 97 HD12 ILE 14 2HD1 ILE 14 6.953 1.130 -13.518 98 HD13 ILE 14 3HD1 ILE 14 7.044 -0.056 -12.216 99 H ILE 15 HN ILE 15 5.915 -1.885 -9.338 100 HA ILE 15 HA ILE 15 8.531 -1.776 -9.818 101 HB ILE 15 HB ILE 15 7.185 -4.009 -8.294 102 HG12 ILE 15 2HG1 ILE 15 8.550 -1.686 -7.011 103 HG13 ILE 15 3HG1 ILE 15 6.966 -1.419 -7.731 104 HG21 ILE 15 1HG2 ILE 15 9.273 -4.887 -8.414 105 HG22 ILE 15 2HG2 ILE 15 10.033 -3.326 -8.714 106 HG23 ILE 15 3HG2 ILE 15 9.547 -3.770 -7.078 107 HD11 ILE 15 1HD1 ILE 15 6.380 -3.579 -6.318 108 HD12 ILE 15 2HD1 ILE 15 7.728 -2.990 -5.345 109 HD13 ILE 15 3HD1 ILE 15 6.328 -1.957 -5.630 110 H CYS 16 HN CYS 16 6.654 -4.746 -10.440 111 HA CYS 16 HA CYS 16 8.792 -5.603 -12.276 112 HB2 CYS 16 2HB CYS 16 7.970 -7.900 -11.920 113 HB3 CYS 16 3HB CYS 16 8.466 -7.142 -10.410 114 H ARG 17 HN ARG 17 5.828 -4.210 -12.280 115 HA ARG 17 HA ARG 17 4.108 -4.023 -13.766 116 HB2 ARG 17 2HB ARG 17 6.462 -4.634 -15.540 117 HB3 ARG 17 3HB ARG 17 4.866 -4.312 -16.207 118 HG2 ARG 17 2HG ARG 17 5.132 -2.197 -14.558 119 HG3 ARG 17 3HG ARG 17 6.817 -2.478 -14.998 120 HD2 ARG 17 2HD ARG 17 4.544 -2.171 -16.956 121 HD3 ARG 17 3HD ARG 17 5.671 -0.891 -16.508 122 HE ARG 17 HE ARG 17 6.158 -3.080 -18.304 123 HH11 ARG 17 1HH1 ARG 17 7.622 -0.757 -16.164 124 HH12 ARG 17 2HH1 ARG 17 9.160 -0.798 -16.960 125 HH21 ARG 17 1HH2 ARG 17 8.178 -3.143 -19.360 126 HH22 ARG 17 2HH2 ARG 17 9.475 -2.154 -18.779 127 H GLU 18 HN GLU 18 3.574 -6.202 -12.533 128 HA GLU 18 HA GLU 18 3.154 -8.286 -14.574 129 HB2 GLU 18 2HB GLU 18 3.605 -8.482 -11.606 130 HB3 GLU 18 3HB GLU 18 2.851 -9.792 -12.506 131 HG2 GLU 18 2HG GLU 18 4.783 -10.210 -13.748 132 HG3 GLU 18 3HG GLU 18 5.498 -8.655 -13.326 133 H GLU 19 HN GLU 19 1.619 -8.334 -11.455 134 HA GLU 19 HA GLU 19 -0.787 -7.029 -12.143 135 HB2 GLU 19 2HB GLU 19 -0.531 -9.568 -13.303 136 HB3 GLU 19 3HB GLU 19 -1.604 -9.794 -11.929 137 HG2 GLU 19 2HG GLU 19 -2.914 -7.808 -12.822 138 HG3 GLU 19 3HG GLU 19 -1.970 -7.995 -14.301 139 H MET 20 HN MET 20 -2.264 -6.973 -10.431 140 HA MET 20 HA MET 20 -1.433 -8.383 -7.984 141 HB2 MET 20 2HB MET 20 -1.971 -5.474 -8.409 142 HB3 MET 20 3HB MET 20 -2.386 -6.194 -6.859 143 HG2 MET 20 2HG MET 20 -0.102 -6.891 -6.525 144 HG3 MET 20 3HG MET 20 0.340 -6.303 -8.126 145 HE1 MET 20 1HE MET 20 0.142 -2.629 -8.024 146 HE2 MET 20 2HE MET 20 -0.622 -4.013 -8.804 147 HE3 MET 20 3HE MET 20 -1.519 -3.062 -7.620 148 H VAL 21 HN VAL 21 -3.022 -9.888 -7.891 149 HA VAL 21 HA VAL 21 -5.808 -9.007 -8.169 150 HB VAL 21 HB VAL 21 -6.240 -11.545 -8.052 151 HG11 VAL 21 1HG1 VAL 21 -5.408 -11.757 -10.506 152 HG12 VAL 21 2HG1 VAL 21 -6.651 -10.569 -10.108 153 HG13 VAL 21 3HG1 VAL 21 -4.976 -10.058 -10.317 154 HG21 VAL 21 1HG2 VAL 21 -3.432 -11.814 -9.024 155 HG22 VAL 21 2HG2 VAL 21 -3.755 -11.841 -7.291 156 HG23 VAL 21 3HG2 VAL 21 -4.509 -13.035 -8.347 157 H THR 22 HN THR 22 -3.481 -9.963 -5.848 158 HA THR 22 HA THR 22 -5.026 -9.298 -3.636 159 HB THR 22 HB THR 22 -6.403 -11.232 -4.077 160 HG1 THR 22 1HG THR 22 -5.981 -12.381 -2.080 161 HG21 THR 22 1HG2 THR 22 -5.530 -13.007 -5.106 162 HG22 THR 22 2HG2 THR 22 -4.719 -13.427 -3.597 163 HG23 THR 22 3HG2 THR 22 -3.891 -12.434 -4.796 164 H GLY 23 HN GLY 23 -3.777 -9.171 -1.823 165 HA2 GLY 23 1HA GLY 23 -2.002 -9.804 -0.391 166 HA3 GLY 23 2HA GLY 23 -1.276 -10.690 -1.724 167 H ALA 24 HN ALA 24 -2.286 -7.315 -1.158 168 HA ALA 24 HA ALA 24 0.446 -6.412 -1.515 169 HB1 ALA 24 1HB ALA 24 -0.110 -6.441 -3.798 170 HB2 ALA 24 2HB ALA 24 -1.723 -5.792 -3.498 171 HB3 ALA 24 3HB ALA 24 -0.307 -4.761 -3.298 172 H LYS 25 HN LYS 25 0.646 -4.048 -1.167 173 HA LYS 25 HA LYS 25 -1.408 -3.126 0.729 174 HB2 LYS 25 2HB LYS 25 1.448 -2.167 0.571 175 HB3 LYS 25 3HB LYS 25 0.293 -1.894 1.870 176 HG2 LYS 25 2HG LYS 25 1.475 -4.557 1.106 177 HG3 LYS 25 3HG LYS 25 1.970 -3.560 2.477 178 HD2 LYS 25 2HD LYS 25 -0.827 -3.861 2.659 179 HD3 LYS 25 3HD LYS 25 -0.167 -5.459 2.299 180 HE2 LYS 25 2HE LYS 25 1.050 -5.542 4.249 181 HE3 LYS 25 3HE LYS 25 1.142 -3.787 4.392 182 HZ1 LYS 25 1HZ LYS 25 -0.422 -5.180 5.931 183 HZ2 LYS 25 2HZ LYS 25 -1.483 -5.070 4.617 184 HZ3 LYS 25 3HZ LYS 25 -0.904 -3.662 5.357 185 H ARG 26 HN ARG 26 -1.342 -0.617 0.940 186 HA ARG 26 HA ARG 26 -1.234 0.562 -1.756 187 HB2 ARG 26 2HB ARG 26 -3.569 0.088 -1.041 188 HB3 ARG 26 3HB ARG 26 -3.325 1.135 0.351 189 HG2 ARG 26 2HG ARG 26 -2.744 2.950 -1.364 190 HG3 ARG 26 3HG ARG 26 -3.486 1.872 -2.547 191 HD2 ARG 26 2HD ARG 26 -4.990 3.639 -1.525 192 HD3 ARG 26 3HD ARG 26 -5.583 1.979 -1.480 193 HE ARG 26 HE ARG 26 -4.158 2.777 0.889 194 HH11 ARG 26 1HH1 ARG 26 -7.246 2.700 -0.719 195 HH12 ARG 26 2HH1 ARG 26 -8.159 2.797 0.750 196 HH21 ARG 26 1HH2 ARG 26 -5.350 2.904 2.829 197 HH22 ARG 26 2HH2 ARG 26 -7.080 2.914 2.767 198 H LEU 27 HN LEU 27 -0.211 2.468 -1.926 199 HA LEU 27 HA LEU 27 1.030 3.560 0.463 200 HB2 LEU 27 2HB LEU 27 1.346 4.211 -2.462 201 HB3 LEU 27 3HB LEU 27 2.232 5.017 -1.169 202 HG LEU 27 HG LEU 27 2.405 2.071 -1.799 203 HD11 LEU 27 1HD1 LEU 27 4.438 2.486 -2.901 204 HD12 LEU 27 2HD1 LEU 27 4.500 4.155 -2.336 205 HD13 LEU 27 3HD1 LEU 27 3.310 3.678 -3.547 206 HD21 LEU 27 1HD2 LEU 27 4.633 2.750 -0.398 207 HD22 LEU 27 2HD2 LEU 27 3.185 2.027 0.303 208 HD23 LEU 27 3HD2 LEU 27 3.416 3.775 0.362 209 HA PRO 28 HA PRO 28 -1.657 6.992 0.992 210 HB2 PRO 28 2HB PRO 28 0.077 8.871 1.905 211 HB3 PRO 28 3HB PRO 28 -0.447 7.492 2.880 212 HG2 PRO 28 2HG PRO 28 2.083 7.859 1.321 213 HG3 PRO 28 3HG PRO 28 1.857 7.184 2.945 214 HD2 PRO 28 2HD PRO 28 2.201 5.629 0.754 215 HD3 PRO 28 3HD PRO 28 1.204 5.126 2.136 216 H CYS 29 HN CYS 29 0.523 6.831 -1.473 217 HA CYS 29 HA CYS 29 -0.034 9.554 -2.432 218 HB2 CYS 29 2HB CYS 29 1.782 9.020 -4.120 219 HB3 CYS 29 3HB CYS 29 2.308 9.143 -2.444 220 H ASN 30 HN ASN 30 -1.336 6.586 -2.628 221 HA ASN 30 HA ASN 30 -3.041 5.837 -3.982 222 HB2 ASN 30 2HB ASN 30 -3.067 8.376 -4.724 223 HB3 ASN 30 3HB ASN 30 -2.337 7.726 -6.189 224 HD21 ASN 30 1HD2 ASN 30 -5.007 8.932 -5.564 225 HD22 ASN 30 2HD2 ASN 30 -6.151 7.795 -6.181 226 H HIS 31 HN HIS 31 -0.599 4.613 -3.870 227 HA HIS 31 HA HIS 31 -0.424 3.459 -6.550 228 HB2 HIS 31 2HB HIS 31 1.936 4.501 -4.976 229 HB3 HIS 31 3HB HIS 31 2.088 3.407 -6.347 230 HD2 HIS 31 2HD HIS 31 0.373 4.762 -8.616 231 HE1 HIS 31 1HE HIS 31 2.292 8.406 -7.597 232 HE2 HIS 31 2HE HIS 31 0.883 7.203 -9.303 233 H ILE 32 HN ILE 32 -0.710 1.345 -6.370 234 HA ILE 32 HA ILE 32 0.042 0.027 -3.848 235 HB ILE 32 HB ILE 32 -1.996 -0.758 -5.931 236 HG12 ILE 32 2HG1 ILE 32 -2.774 -0.557 -3.110 237 HG13 ILE 32 3HG1 ILE 32 -2.216 0.965 -3.797 238 HG21 ILE 32 1HG2 ILE 32 -1.616 -2.868 -5.324 239 HG22 ILE 32 2HG2 ILE 32 -0.564 -2.377 -3.998 240 HG23 ILE 32 3HG2 ILE 32 -2.311 -2.440 -3.760 241 HD11 ILE 32 1HD1 ILE 32 -3.870 0.807 -5.554 242 HD12 ILE 32 2HD1 ILE 32 -4.399 -0.760 -4.940 243 HD13 ILE 32 3HD1 ILE 32 -4.638 0.694 -3.971 244 H PHE 33 HN PHE 33 1.303 -1.793 -3.846 245 HA PHE 33 HA PHE 33 2.139 -2.985 -6.360 246 HB2 PHE 33 2HB PHE 33 4.223 -1.895 -4.465 247 HB3 PHE 33 3HB PHE 33 4.486 -2.616 -6.050 248 HD1 PHE 33 1HD PHE 33 3.233 -1.380 -8.023 249 HD2 PHE 33 2HD PHE 33 4.251 0.390 -4.289 250 HE1 PHE 33 1HE PHE 33 3.122 0.850 -9.055 251 HE2 PHE 33 2HE PHE 33 4.142 2.624 -5.315 252 HZ PHE 33 HZ PHE 33 3.575 2.856 -7.700 253 H HIS 34 HN HIS 34 3.538 -4.909 -5.997 254 HA HIS 34 HA HIS 34 2.401 -6.699 -4.223 255 HB2 HIS 34 2HB HIS 34 5.093 -6.701 -5.581 256 HB3 HIS 34 3HB HIS 34 4.537 -8.051 -4.597 257 HD2 HIS 34 2HD HIS 34 1.405 -8.006 -5.830 258 HE1 HIS 34 1HE HIS 34 3.424 -8.872 -9.459 259 HE2 HIS 34 2HE HIS 34 1.201 -8.813 -8.278 260 H THR 35 HN THR 35 2.611 -7.109 -2.117 261 HA THR 35 HA THR 35 3.941 -5.403 -0.367 262 HB THR 35 HB THR 35 3.120 -8.267 0.153 263 HG1 THR 35 1HG THR 35 1.149 -7.465 0.590 264 HG21 THR 35 1HG2 THR 35 2.847 -6.685 2.456 265 HG22 THR 35 2HG2 THR 35 4.438 -6.307 1.795 266 HG23 THR 35 3HG2 THR 35 4.014 -7.977 2.174 267 H SER 36 HN SER 36 5.184 -7.938 -2.268 268 HA SER 36 HA SER 36 7.522 -8.324 -0.559 269 HB2 SER 36 2HB SER 36 6.185 -10.159 -1.943 270 HB3 SER 36 3HB SER 36 7.279 -9.642 -3.226 271 HG SER 36 HG SER 36 8.988 -9.993 -1.590 272 H CYS 37 HN CYS 37 6.606 -6.997 -3.685 273 HA CYS 37 HA CYS 37 9.238 -6.470 -4.602 274 HB2 CYS 37 2HB CYS 37 6.548 -5.325 -5.358 275 HB3 CYS 37 3HB CYS 37 8.045 -4.854 -6.158 276 H LEU 38 HN LEU 38 7.063 -4.803 -2.473 277 HA LEU 38 HA LEU 38 8.464 -2.288 -2.598 278 HB2 LEU 38 2HB LEU 38 6.236 -3.381 -0.920 279 HB3 LEU 38 3HB LEU 38 7.012 -1.853 -0.509 280 HG LEU 38 HG LEU 38 5.503 -2.481 -3.045 281 HD11 LEU 38 1HD1 LEU 38 4.167 -2.111 -0.965 282 HD12 LEU 38 2HD1 LEU 38 3.866 -0.943 -2.252 283 HD13 LEU 38 3HD1 LEU 38 4.870 -0.496 -0.873 284 HD21 LEU 38 1HD2 LEU 38 5.983 0.271 -2.804 285 HD22 LEU 38 2HD2 LEU 38 6.646 -0.839 -4.004 286 HD23 LEU 38 3HD2 LEU 38 7.531 -0.522 -2.510 287 H ARG 39 HN ARG 39 8.342 -5.069 -0.434 288 HA ARG 39 HA ARG 39 9.851 -4.021 1.677 289 HB2 ARG 39 2HB ARG 39 9.747 -6.886 0.716 290 HB3 ARG 39 3HB ARG 39 10.279 -6.347 2.303 291 HG2 ARG 39 2HG ARG 39 7.586 -5.466 1.535 292 HG3 ARG 39 3HG ARG 39 7.783 -7.209 1.732 293 HD2 ARG 39 2HD ARG 39 8.251 -5.032 3.746 294 HD3 ARG 39 3HD ARG 39 7.150 -6.404 3.851 295 HE ARG 39 HE ARG 39 9.886 -6.359 4.607 296 HH11 ARG 39 1HH1 ARG 39 7.431 -8.396 3.216 297 HH12 ARG 39 2HH1 ARG 39 8.166 -9.871 3.752 298 HH21 ARG 39 1HH2 ARG 39 10.864 -8.293 5.319 299 HH22 ARG 39 2HH2 ARG 39 10.118 -9.811 4.948 300 H SER 40 HN SER 40 10.846 -5.659 -1.293 301 HA SER 40 HA SER 40 13.649 -5.495 -0.579 302 HB2 SER 40 2HB SER 40 12.089 -7.045 -2.392 303 HB3 SER 40 3HB SER 40 13.305 -6.176 -3.329 304 HG SER 40 HG SER 40 13.644 -8.069 -1.282 305 H TRP 41 HN TRP 41 11.402 -3.943 -2.810 306 HA TRP 41 HA TRP 41 13.280 -2.413 -4.237 307 HB2 TRP 41 2HB TRP 41 11.029 -2.691 -5.078 308 HB3 TRP 41 3HB TRP 41 10.358 -1.896 -3.656 309 HD1 TRP 41 1HD TRP 41 11.049 0.808 -3.412 310 HE1 TRP 41 1HE TRP 41 11.266 2.571 -5.276 311 HE3 TRP 41 3HE TRP 41 11.596 -2.313 -7.423 312 HZ2 TRP 41 2HZ TRP 41 11.622 2.630 -8.075 313 HZ3 TRP 41 3HZ TRP 41 11.869 -1.324 -9.659 314 HH2 TRP 41 2HH TRP 41 11.881 1.097 -9.976 315 H PHE 42 HN PHE 42 11.412 -1.703 -1.310 316 HA PHE 42 HA PHE 42 12.314 0.963 -1.020 317 HB2 PHE 42 2HB PHE 42 11.070 -1.027 0.862 318 HB3 PHE 42 3HB PHE 42 11.607 0.551 1.432 319 HD1 PHE 42 1HD PHE 42 10.871 2.321 -0.751 320 HD2 PHE 42 2HD PHE 42 8.765 -0.990 0.899 321 HE1 PHE 42 1HE PHE 42 8.742 3.311 -1.489 322 HE2 PHE 42 2HE PHE 42 6.634 -0.005 0.164 323 HZ PHE 42 HZ PHE 42 6.621 2.147 -1.033 324 H GLN 43 HN GLN 43 13.791 -2.063 -0.406 325 HA GLN 43 HA GLN 43 15.713 -0.993 1.492 326 HB2 GLN 43 2HB GLN 43 15.256 -3.718 0.300 327 HB3 GLN 43 3HB GLN 43 16.697 -3.353 1.239 328 HG2 GLN 43 2HG GLN 43 14.159 -2.601 2.507 329 HG3 GLN 43 3HG GLN 43 14.403 -4.330 2.271 330 HE21 GLN 43 1HE2 GLN 43 16.577 -5.142 2.985 331 HE22 GLN 43 2HE2 GLN 43 17.200 -4.511 4.468 332 H ARG 44 HN ARG 44 15.352 -1.056 -1.825 333 HA ARG 44 HA ARG 44 18.247 -0.679 -2.206 334 HB2 ARG 44 2HB ARG 44 16.360 -1.897 -4.228 335 HB3 ARG 44 3HB ARG 44 18.100 -1.702 -4.394 336 HG2 ARG 44 2HG ARG 44 16.871 -3.370 -2.223 337 HG3 ARG 44 3HG ARG 44 17.257 -4.016 -3.819 338 HD2 ARG 44 2HD ARG 44 19.436 -2.502 -2.589 339 HD3 ARG 44 3HD ARG 44 18.963 -3.936 -1.681 340 HE ARG 44 HE ARG 44 19.346 -4.386 -4.502 341 HH11 ARG 44 1HH1 ARG 44 20.846 -4.305 -1.361 342 HH12 ARG 44 2HH1 ARG 44 22.149 -5.355 -1.812 343 HH21 ARG 44 1HH2 ARG 44 21.056 -5.769 -5.108 344 HH22 ARG 44 2HH2 ARG 44 22.268 -6.187 -3.944 345 H GLN 45 HN GLN 45 15.165 0.626 -2.424 346 HA GLN 45 HA GLN 45 16.140 2.758 -4.207 347 HB2 GLN 45 2HB GLN 45 13.361 1.585 -4.046 348 HB3 GLN 45 3HB GLN 45 13.749 3.069 -4.906 349 HG2 GLN 45 2HG GLN 45 14.373 0.254 -5.594 350 HG3 GLN 45 3HG GLN 45 13.828 1.579 -6.621 351 HE21 GLN 45 1HE2 GLN 45 16.229 -0.424 -6.400 352 HE22 GLN 45 2HE2 GLN 45 17.575 0.575 -6.817 353 H GLN 46 HN GLN 46 13.410 2.180 -1.981 354 HA GLN 46 HA GLN 46 12.834 3.290 -0.047 355 HB2 GLN 46 2HB GLN 46 15.431 3.869 -0.083 356 HB3 GLN 46 3HB GLN 46 14.818 5.470 -0.475 357 HG2 GLN 46 2HG GLN 46 14.405 5.845 1.659 358 HG3 GLN 46 3HG GLN 46 13.302 4.469 1.698 359 HE21 GLN 46 1HE2 GLN 46 15.922 5.762 3.133 360 HE22 GLN 46 2HE2 GLN 46 16.655 4.334 3.772 361 H THR 47 HN THR 47 12.136 3.901 -2.938 362 HA THR 47 HA THR 47 10.474 6.198 -2.347 363 HB THR 47 HB THR 47 11.539 6.752 -4.928 364 HG1 THR 47 1HG THR 47 13.390 5.563 -3.857 365 HG21 THR 47 1HG2 THR 47 10.506 8.236 -3.066 366 HG22 THR 47 2HG2 THR 47 11.775 8.909 -4.089 367 HG23 THR 47 3HG2 THR 47 12.160 8.341 -2.464 368 H CYS 48 HN CYS 48 8.566 6.125 -3.411 369 HA CYS 48 HA CYS 48 7.433 3.943 -4.430 370 HB2 CYS 48 2HB CYS 48 6.709 6.589 -4.344 371 HB3 CYS 48 3HB CYS 48 6.724 6.270 -6.076 372 HA PRO 49 HA PRO 49 9.622 2.795 -8.092 373 HB2 PRO 49 2HB PRO 49 7.829 0.987 -9.031 374 HB3 PRO 49 3HB PRO 49 8.895 0.658 -7.661 375 HG2 PRO 49 2HG PRO 49 6.020 1.495 -7.666 376 HG3 PRO 49 3HG PRO 49 6.828 0.272 -6.667 377 HD2 PRO 49 2HD PRO 49 6.258 2.756 -5.751 378 HD3 PRO 49 3HD PRO 49 7.682 1.843 -5.211 379 H THR 50 HN THR 50 6.971 4.729 -7.971 380 HA THR 50 HA THR 50 6.949 5.058 -10.894 381 HB THR 50 HB THR 50 4.873 3.925 -10.293 382 HG1 THR 50 1HG THR 50 4.250 6.653 -10.780 383 HG21 THR 50 1HG2 THR 50 3.325 4.735 -8.720 384 HG22 THR 50 2HG2 THR 50 4.118 6.308 -8.622 385 HG23 THR 50 3HG2 THR 50 4.888 4.886 -7.918 386 H CYS 51 HN CYS 51 5.923 6.578 -7.837 387 HA CYS 51 HA CYS 51 6.479 9.207 -9.011 388 HB2 CYS 51 2HB CYS 51 5.070 10.149 -7.379 389 HB3 CYS 51 3HB CYS 51 4.262 8.655 -7.844 390 H ARG 52 HN ARG 52 8.050 6.910 -7.268 391 HA ARG 52 HA ARG 52 9.670 6.930 -5.613 392 HB2 ARG 52 2HB ARG 52 10.662 9.124 -7.439 393 HB3 ARG 52 3HB ARG 52 11.646 8.132 -6.372 394 HG2 ARG 52 2HG ARG 52 9.995 6.671 -8.325 395 HG3 ARG 52 3HG ARG 52 11.313 7.641 -8.988 396 HD2 ARG 52 2HD ARG 52 12.568 6.422 -6.923 397 HD3 ARG 52 3HD ARG 52 11.391 5.186 -7.365 398 HE ARG 52 HE ARG 52 13.723 5.918 -8.821 399 HH11 ARG 52 1HH1 ARG 52 10.448 4.797 -9.186 400 HH12 ARG 52 2HH1 ARG 52 10.745 4.018 -10.704 401 HH21 ARG 52 1HH2 ARG 52 14.128 4.897 -10.820 402 HH22 ARG 52 2HH2 ARG 52 12.839 4.074 -11.632 403 H MET 53 HN MET 53 8.071 7.879 -4.049 404 HA MET 53 HA MET 53 9.048 10.498 -3.125 405 HB2 MET 53 2HB MET 53 6.257 9.521 -3.488 406 HB3 MET 53 3HB MET 53 6.590 10.560 -2.109 407 HG2 MET 53 2HG MET 53 7.664 12.149 -3.791 408 HG3 MET 53 3HG MET 53 6.863 11.179 -5.026 409 HE1 MET 53 1HE MET 53 4.526 10.343 -2.912 410 HE2 MET 53 2HE MET 53 3.206 11.493 -3.127 411 HE3 MET 53 3HE MET 53 3.904 10.680 -4.529 412 H ASP 54 HN ASP 54 10.151 10.196 -1.311 413 HA ASP 54 HA ASP 54 10.454 8.059 0.261 414 HB2 ASP 54 2HB ASP 54 11.674 10.107 0.689 415 HB3 ASP 54 3HB ASP 54 10.203 10.915 1.223 416 H VAL 55 HN VAL 55 9.139 6.715 1.282 417 HA VAL 55 HA VAL 55 6.622 7.777 2.393 418 HB VAL 55 HB VAL 55 5.659 5.522 2.072 419 HG11 VAL 55 1HG1 VAL 55 4.861 6.309 0.156 420 HG12 VAL 55 2HG1 VAL 55 6.177 7.484 0.119 421 HG13 VAL 55 3HG1 VAL 55 6.370 5.918 -0.669 422 HG21 VAL 55 1HG2 VAL 55 7.019 4.138 0.299 423 HG22 VAL 55 2HG2 VAL 55 8.393 4.983 1.013 424 HG23 VAL 55 3HG2 VAL 55 7.356 3.976 2.022 425 H LEU 56 HN LEU 56 9.259 5.469 2.829 426 HA LEU 56 HA LEU 56 8.450 4.379 5.275 427 HB2 LEU 56 2HB LEU 56 11.225 4.833 4.191 428 HB3 LEU 56 3HB LEU 56 10.847 3.831 5.591 429 HG LEU 56 HG LEU 56 10.421 3.291 2.692 430 HD11 LEU 56 1HD1 LEU 56 10.925 0.943 3.958 431 HD12 LEU 56 2HD1 LEU 56 11.771 2.086 5.000 432 HD13 LEU 56 3HD1 LEU 56 12.161 2.006 3.282 433 HD21 LEU 56 1HD2 LEU 56 8.791 1.563 3.194 434 HD22 LEU 56 2HD2 LEU 56 8.174 3.147 3.667 435 HD23 LEU 56 3HD2 LEU 56 8.785 2.034 4.893 Start of MODEL 16 1 H1 ALA 1 HN ALA 1 -4.680 -4.715 -0.364 2 HA ALA 1 HA ALA 1 -6.079 -2.162 -0.609 3 HB1 ALA 1 1HB ALA 1 -4.216 -2.295 -2.046 4 HB2 ALA 1 2HB ALA 1 -4.656 -3.913 -2.594 5 HB3 ALA 1 3HB ALA 1 -5.630 -2.523 -3.077 6 H THR 2 HN THR 2 -7.998 -1.930 -1.824 7 HA THR 2 HA THR 2 -9.697 -4.309 -1.746 8 HB THR 2 HB THR 2 -11.312 -2.932 -1.074 9 HG1 THR 2 1HG THR 2 -12.264 -1.738 -2.579 10 HG21 THR 2 1HG2 THR 2 -9.282 -1.670 -0.184 11 HG22 THR 2 2HG2 THR 2 -10.793 -0.765 -0.301 12 HG23 THR 2 3HG2 THR 2 -9.536 -0.545 -1.518 13 HA PRO 3 HA PRO 3 -10.035 -4.820 -6.091 14 HB2 PRO 3 2HB PRO 3 -12.681 -5.313 -6.440 15 HB3 PRO 3 3HB PRO 3 -11.578 -6.474 -5.692 16 HG2 PRO 3 2HG PRO 3 -13.484 -4.565 -4.394 17 HG3 PRO 3 3HG PRO 3 -13.153 -6.261 -3.995 18 HD2 PRO 3 2HD PRO 3 -12.087 -4.203 -2.598 19 HD3 PRO 3 3HD PRO 3 -11.236 -5.744 -2.825 20 H GLU 4 HN GLU 4 -12.083 -2.424 -4.586 21 HA GLU 4 HA GLU 4 -12.998 -1.228 -7.014 22 HB2 GLU 4 2HB GLU 4 -13.829 -1.070 -4.456 23 HB3 GLU 4 3HB GLU 4 -12.879 0.407 -4.545 24 HG2 GLU 4 2HG GLU 4 -14.279 1.387 -6.066 25 HG3 GLU 4 3HG GLU 4 -14.850 -0.157 -6.698 26 H GLU 5 HN GLU 5 -10.536 -0.326 -4.607 27 HA GLU 5 HA GLU 5 -9.628 1.953 -6.032 28 HB2 GLU 5 2HB GLU 5 -8.517 0.320 -3.770 29 HB3 GLU 5 3HB GLU 5 -7.556 1.593 -4.509 30 HG2 GLU 5 2HG GLU 5 -10.181 2.574 -3.911 31 HG3 GLU 5 3HG GLU 5 -9.466 1.838 -2.477 32 H LEU 6 HN LEU 6 -8.438 -1.379 -5.784 33 HA LEU 6 HA LEU 6 -6.110 -1.130 -7.274 34 HB2 LEU 6 2HB LEU 6 -7.971 -3.337 -6.625 35 HB3 LEU 6 3HB LEU 6 -6.859 -3.605 -7.965 36 HG LEU 6 HG LEU 6 -5.887 -2.732 -5.260 37 HD11 LEU 6 1HD1 LEU 6 -6.098 -4.767 -4.376 38 HD12 LEU 6 2HD1 LEU 6 -5.577 -5.560 -5.863 39 HD13 LEU 6 3HD1 LEU 6 -7.263 -5.082 -5.663 40 HD21 LEU 6 1HD2 LEU 6 -4.410 -2.546 -7.260 41 HD22 LEU 6 2HD2 LEU 6 -4.538 -4.293 -7.457 42 HD23 LEU 6 3HD2 LEU 6 -3.794 -3.622 -6.005 43 H GLN 7 HN GLN 7 -9.431 -1.268 -8.318 44 HA GLN 7 HA GLN 7 -8.742 -1.672 -11.098 45 HB2 GLN 7 2HB GLN 7 -11.094 -1.915 -9.507 46 HB3 GLN 7 3HB GLN 7 -11.430 -0.777 -10.805 47 HG2 GLN 7 2HG GLN 7 -10.023 -3.173 -11.690 48 HG3 GLN 7 3HG GLN 7 -11.604 -3.497 -10.980 49 HE21 GLN 7 1HE2 GLN 7 -11.766 -4.218 -13.343 50 HE22 GLN 7 2HE2 GLN 7 -12.407 -3.049 -14.441 51 H ALA 8 HN ALA 8 -7.655 0.666 -9.737 52 HA ALA 8 HA ALA 8 -8.625 2.689 -11.616 53 HB1 ALA 8 1HB ALA 8 -8.548 4.416 -9.822 54 HB2 ALA 8 2HB ALA 8 -9.833 3.225 -9.619 55 HB3 ALA 8 3HB ALA 8 -8.366 3.116 -8.644 56 H MET 9 HN MET 9 -6.169 0.921 -11.009 57 HA MET 9 HA MET 9 -4.231 2.948 -11.715 58 HB2 MET 9 2HB MET 9 -2.660 2.414 -9.938 59 HB3 MET 9 3HB MET 9 -4.174 2.987 -9.252 60 HG2 MET 9 2HG MET 9 -4.470 1.108 -8.117 61 HG3 MET 9 3HG MET 9 -4.175 0.117 -9.544 62 HE1 MET 9 1HE MET 9 -0.835 -1.243 -9.270 63 HE2 MET 9 2HE MET 9 -2.311 -0.956 -10.192 64 HE3 MET 9 3HE MET 9 -0.974 0.191 -10.289 65 H ASP 10 HN ASP 10 -5.525 0.380 -12.690 66 HA ASP 10 HA ASP 10 -4.814 -1.164 -14.242 67 HB2 ASP 10 2HB ASP 10 -2.593 0.413 -14.075 68 HB3 ASP 10 3HB ASP 10 -1.961 -1.132 -13.513 69 H ASN 11 HN ASN 11 -4.417 -1.177 -10.951 70 HA ASN 11 HA ASN 11 -4.003 -2.782 -9.366 71 HB2 ASN 11 2HB ASN 11 -5.571 -4.472 -9.444 72 HB3 ASN 11 3HB ASN 11 -6.236 -3.365 -10.644 73 HD21 ASN 11 1HD2 ASN 11 -4.858 -6.445 -10.061 74 HD22 ASN 11 2HD2 ASN 11 -4.986 -7.055 -11.673 75 H VAL 12 HN VAL 12 -1.954 -2.528 -11.495 76 HA VAL 12 HA VAL 12 -0.807 -5.238 -11.300 77 HB VAL 12 HB VAL 12 -0.737 -3.263 -13.550 78 HG11 VAL 12 1HG1 VAL 12 1.132 -4.506 -14.554 79 HG12 VAL 12 2HG1 VAL 12 1.602 -3.693 -13.060 80 HG13 VAL 12 3HG1 VAL 12 1.303 -5.431 -13.063 81 HG21 VAL 12 1HG2 VAL 12 -0.762 -6.151 -14.054 82 HG22 VAL 12 2HG2 VAL 12 -2.146 -5.557 -13.137 83 HG23 VAL 12 3HG2 VAL 12 -1.778 -4.873 -14.721 84 H CYS 13 HN CYS 13 1.088 -5.419 -10.286 85 HA CYS 13 HA CYS 13 2.251 -3.224 -8.942 86 HB2 CYS 13 2HB CYS 13 2.425 -5.483 -8.055 87 HB3 CYS 13 3HB CYS 13 3.339 -5.997 -9.470 88 H ILE 14 HN ILE 14 3.364 -1.642 -9.862 89 HA ILE 14 HA ILE 14 4.494 -1.767 -12.440 90 HB ILE 14 HB ILE 14 3.801 0.303 -11.025 91 HG12 ILE 14 2HG1 ILE 14 4.561 0.532 -13.290 92 HG13 ILE 14 3HG1 ILE 14 5.428 1.717 -12.319 93 HG21 ILE 14 1HG2 ILE 14 5.664 1.426 -9.917 94 HG22 ILE 14 2HG2 ILE 14 5.317 -0.128 -9.162 95 HG23 ILE 14 3HG2 ILE 14 6.701 0.036 -10.243 96 HD11 ILE 14 1HD1 ILE 14 7.066 0.835 -13.693 97 HD12 ILE 14 2HD1 ILE 14 7.276 -0.068 -12.191 98 HD13 ILE 14 3HD1 ILE 14 6.438 -0.807 -13.556 99 H ILE 15 HN ILE 15 5.972 -1.910 -9.213 100 HA ILE 15 HA ILE 15 8.602 -1.876 -9.614 101 HB ILE 15 HB ILE 15 7.193 -4.065 -8.082 102 HG12 ILE 15 2HG1 ILE 15 8.440 -1.669 -6.811 103 HG13 ILE 15 3HG1 ILE 15 6.880 -1.474 -7.603 104 HG21 ILE 15 1HG2 ILE 15 10.003 -3.520 -8.552 105 HG22 ILE 15 2HG2 ILE 15 9.599 -3.514 -6.835 106 HG23 ILE 15 3HG2 ILE 15 9.231 -4.928 -7.822 107 HD11 ILE 15 1HD1 ILE 15 6.351 -1.904 -5.384 108 HD12 ILE 15 2HD1 ILE 15 6.132 -3.463 -6.179 109 HD13 ILE 15 3HD1 ILE 15 7.587 -3.153 -5.232 110 H CYS 16 HN CYS 16 6.658 -4.799 -10.240 111 HA CYS 16 HA CYS 16 8.827 -5.753 -11.990 112 HB2 CYS 16 2HB CYS 16 8.041 -8.025 -11.553 113 HB3 CYS 16 3HB CYS 16 8.422 -7.205 -10.042 114 H ARG 17 HN ARG 17 5.931 -4.284 -12.122 115 HA ARG 17 HA ARG 17 4.209 -4.155 -13.618 116 HB2 ARG 17 2HB ARG 17 6.598 -4.807 -15.324 117 HB3 ARG 17 3HB ARG 17 5.016 -4.533 -16.041 118 HG2 ARG 17 2HG ARG 17 5.203 -2.355 -14.474 119 HG3 ARG 17 3HG ARG 17 6.907 -2.628 -14.839 120 HD2 ARG 17 2HD ARG 17 4.779 -2.564 -16.962 121 HD3 ARG 17 3HD ARG 17 5.629 -1.116 -16.427 122 HE ARG 17 HE ARG 17 6.649 -3.189 -18.125 123 HH11 ARG 17 1HH1 ARG 17 7.505 -0.710 -15.836 124 HH12 ARG 17 2HH1 ARG 17 9.115 -0.519 -16.447 125 HH21 ARG 17 1HH2 ARG 17 8.765 -2.947 -18.939 126 HH22 ARG 17 2HH2 ARG 17 9.831 -1.792 -18.213 127 H GLU 18 HN GLU 18 3.676 -6.316 -12.327 128 HA GLU 18 HA GLU 18 3.286 -8.455 -14.315 129 HB2 GLU 18 2HB GLU 18 3.623 -8.548 -11.326 130 HB3 GLU 18 3HB GLU 18 2.906 -9.887 -12.211 131 HG2 GLU 18 2HG GLU 18 5.656 -8.756 -12.677 132 HG3 GLU 18 3HG GLU 18 5.286 -10.231 -11.785 133 H GLU 19 HN GLU 19 1.643 -8.382 -11.251 134 HA GLU 19 HA GLU 19 -0.728 -7.086 -12.058 135 HB2 GLU 19 2HB GLU 19 -0.465 -9.612 -13.196 136 HB3 GLU 19 3HB GLU 19 -1.523 -9.872 -11.816 137 HG2 GLU 19 2HG GLU 19 -3.223 -9.104 -12.990 138 HG3 GLU 19 3HG GLU 19 -2.424 -7.537 -13.109 139 H MET 20 HN MET 20 -2.269 -6.986 -10.405 140 HA MET 20 HA MET 20 -1.560 -8.364 -7.904 141 HB2 MET 20 2HB MET 20 -2.022 -5.441 -8.371 142 HB3 MET 20 3HB MET 20 -2.428 -6.148 -6.813 143 HG2 MET 20 2HG MET 20 -0.169 -6.830 -6.457 144 HG3 MET 20 3HG MET 20 0.281 -6.367 -8.096 145 HE1 MET 20 1HE MET 20 -0.641 -4.073 -8.911 146 HE2 MET 20 2HE MET 20 -1.545 -3.092 -7.757 147 HE3 MET 20 3HE MET 20 0.104 -2.643 -8.195 148 H VAL 21 HN VAL 21 -3.206 -9.798 -7.808 149 HA VAL 21 HA VAL 21 -5.919 -9.003 -8.451 150 HB VAL 21 HB VAL 21 -6.359 -11.426 -7.570 151 HG11 VAL 21 1HG1 VAL 21 -6.515 -10.674 -9.912 152 HG12 VAL 21 2HG1 VAL 21 -4.787 -10.972 -10.105 153 HG13 VAL 21 3HG1 VAL 21 -5.883 -12.314 -9.772 154 HG21 VAL 21 1HG2 VAL 21 -3.434 -11.674 -8.233 155 HG22 VAL 21 2HG2 VAL 21 -4.033 -11.545 -6.580 156 HG23 VAL 21 3HG2 VAL 21 -4.513 -12.909 -7.587 157 H THR 22 HN THR 22 -3.922 -9.342 -5.657 158 HA THR 22 HA THR 22 -5.610 -7.990 -3.931 159 HB THR 22 HB THR 22 -7.186 -9.785 -3.994 160 HG1 THR 22 1HG THR 22 -7.101 -9.167 -1.916 161 HG21 THR 22 1HG2 THR 22 -4.930 -11.406 -4.404 162 HG22 THR 22 2HG2 THR 22 -6.620 -11.912 -4.350 163 HG23 THR 22 3HG2 THR 22 -5.642 -11.943 -2.883 164 H GLY 23 HN GLY 23 -3.082 -10.327 -4.409 165 HA2 GLY 23 1HA GLY 23 -2.006 -10.166 -1.756 166 HA3 GLY 23 2HA GLY 23 -1.216 -10.867 -3.161 167 H ALA 24 HN ALA 24 -2.313 -7.602 -2.231 168 HA ALA 24 HA ALA 24 0.412 -6.621 -2.360 169 HB1 ALA 24 1HB ALA 24 0.336 -5.574 -4.322 170 HB2 ALA 24 2HB ALA 24 -1.124 -6.504 -4.665 171 HB3 ALA 24 3HB ALA 24 -1.250 -4.885 -3.975 172 H LYS 25 HN LYS 25 0.562 -4.330 -1.700 173 HA LYS 25 HA LYS 25 -1.600 -3.662 0.183 174 HB2 LYS 25 2HB LYS 25 1.219 -2.613 0.321 175 HB3 LYS 25 3HB LYS 25 0.003 -2.637 1.591 176 HG2 LYS 25 2HG LYS 25 1.411 -5.034 0.435 177 HG3 LYS 25 3HG LYS 25 1.717 -4.296 2.009 178 HD2 LYS 25 2HD LYS 25 -1.068 -4.848 1.799 179 HD3 LYS 25 3HD LYS 25 -0.176 -6.299 1.336 180 HE2 LYS 25 2HE LYS 25 0.608 -6.633 3.421 181 HE3 LYS 25 3HE LYS 25 0.849 -4.911 3.717 182 HZ1 LYS 25 1HZ LYS 25 -0.863 -5.865 5.152 183 HZ2 LYS 25 2HZ LYS 25 -1.771 -6.307 3.795 184 HZ3 LYS 25 3HZ LYS 25 -1.503 -4.672 4.136 185 H ARG 26 HN ARG 26 -1.226 -1.109 0.755 186 HA ARG 26 HA ARG 26 -1.277 0.313 -1.824 187 HB2 ARG 26 2HB ARG 26 -3.563 0.009 -0.983 188 HB3 ARG 26 3HB ARG 26 -3.108 0.762 0.540 189 HG2 ARG 26 2HG ARG 26 -2.893 2.876 -0.435 190 HG3 ARG 26 3HG ARG 26 -2.836 2.210 -2.069 191 HD2 ARG 26 2HD ARG 26 -4.989 3.194 -1.752 192 HD3 ARG 26 3HD ARG 26 -5.190 1.443 -1.757 193 HE ARG 26 HE ARG 26 -4.891 2.643 0.858 194 HH11 ARG 26 1HH1 ARG 26 -7.086 1.588 -1.630 195 HH12 ARG 26 2HH1 ARG 26 -8.435 1.428 -0.554 196 HH21 ARG 26 1HH2 ARG 26 -6.659 2.437 2.284 197 HH22 ARG 26 2HH2 ARG 26 -8.192 1.913 1.671 198 H LEU 27 HN LEU 27 -0.216 2.225 -1.920 199 HA LEU 27 HA LEU 27 1.390 2.951 0.401 200 HB2 LEU 27 2HB LEU 27 1.474 3.711 -2.502 201 HB3 LEU 27 3HB LEU 27 2.444 4.545 -1.291 202 HG LEU 27 HG LEU 27 2.628 1.632 -2.055 203 HD11 LEU 27 1HD1 LEU 27 4.529 2.136 -3.216 204 HD12 LEU 27 2HD1 LEU 27 4.867 3.579 -2.260 205 HD13 LEU 27 3HD1 LEU 27 3.605 3.614 -3.491 206 HD21 LEU 27 1HD2 LEU 27 3.325 1.395 0.069 207 HD22 LEU 27 2HD2 LEU 27 3.585 3.126 0.288 208 HD23 LEU 27 3HD2 LEU 27 4.806 2.147 -0.527 209 HA PRO 28 HA PRO 28 -0.932 6.507 1.515 210 HB2 PRO 28 2HB PRO 28 1.036 8.155 2.399 211 HB3 PRO 28 3HB PRO 28 0.499 6.732 3.299 212 HG2 PRO 28 2HG PRO 28 2.881 7.057 1.514 213 HG3 PRO 28 3HG PRO 28 2.764 6.247 3.088 214 HD2 PRO 28 2HD PRO 28 2.754 4.888 0.747 215 HD3 PRO 28 3HD PRO 28 1.862 4.332 2.176 216 H CYS 29 HN CYS 29 0.963 6.419 -1.176 217 HA CYS 29 HA CYS 29 0.501 9.250 -1.835 218 HB2 CYS 29 2HB CYS 29 2.141 8.730 -3.739 219 HB3 CYS 29 3HB CYS 29 2.799 8.813 -2.107 220 H ASN 30 HN ASN 30 -1.002 6.413 -2.153 221 HA ASN 30 HA ASN 30 -2.842 5.880 -3.429 222 HB2 ASN 30 2HB ASN 30 -2.639 8.481 -4.047 223 HB3 ASN 30 3HB ASN 30 -2.199 7.796 -5.608 224 HD21 ASN 30 1HD2 ASN 30 -3.870 5.424 -5.158 225 HD22 ASN 30 2HD2 ASN 30 -5.497 5.946 -5.414 226 H HIS 31 HN HIS 31 -0.713 4.326 -3.548 227 HA HIS 31 HA HIS 31 -0.759 3.355 -6.276 228 HB2 HIS 31 2HB HIS 31 1.852 4.092 -4.935 229 HB3 HIS 31 3HB HIS 31 1.702 3.217 -6.456 230 HD2 HIS 31 2HD HIS 31 -0.052 4.977 -8.307 231 HE1 HIS 31 1HE HIS 31 2.097 8.362 -6.920 232 HE2 HIS 31 2HE HIS 31 0.506 7.478 -8.661 233 H ILE 32 HN ILE 32 -1.029 1.231 -6.198 234 HA ILE 32 HA ILE 32 -0.323 -0.190 -3.733 235 HB ILE 32 HB ILE 32 -2.221 -0.854 -5.975 236 HG12 ILE 32 2HG1 ILE 32 -3.080 -1.065 -3.178 237 HG13 ILE 32 3HG1 ILE 32 -2.567 0.555 -3.637 238 HG21 ILE 32 1HG2 ILE 32 -2.483 -2.812 -4.007 239 HG22 ILE 32 2HG2 ILE 32 -1.843 -3.017 -5.636 240 HG23 ILE 32 3HG2 ILE 32 -0.749 -2.675 -4.296 241 HD11 ILE 32 1HD1 ILE 32 -4.383 -0.807 -5.512 242 HD12 ILE 32 2HD1 ILE 32 -5.061 -0.356 -3.947 243 HD13 ILE 32 3HD1 ILE 32 -4.340 0.874 -4.984 244 H PHE 33 HN PHE 33 1.137 -1.809 -3.677 245 HA PHE 33 HA PHE 33 2.133 -2.961 -6.161 246 HB2 PHE 33 2HB PHE 33 4.009 -1.693 -4.155 247 HB3 PHE 33 3HB PHE 33 4.459 -2.492 -5.659 248 HD1 PHE 33 1HD PHE 33 3.578 -1.466 -7.837 249 HD2 PHE 33 2HD PHE 33 3.628 0.591 -4.112 250 HE1 PHE 33 1HE PHE 33 3.429 0.684 -9.026 251 HE2 PHE 33 2HE PHE 33 3.478 2.744 -5.294 252 HZ PHE 33 HZ PHE 33 3.378 2.792 -7.754 253 H HIS 34 HN HIS 34 3.347 -4.910 -5.852 254 HA HIS 34 HA HIS 34 2.314 -6.710 -4.074 255 HB2 HIS 34 2HB HIS 34 5.024 -6.642 -5.397 256 HB3 HIS 34 3HB HIS 34 4.478 -8.014 -4.438 257 HD2 HIS 34 2HD HIS 34 1.381 -8.081 -5.697 258 HE1 HIS 34 1HE HIS 34 3.444 -8.744 -9.344 259 HE2 HIS 34 2HE HIS 34 1.217 -8.824 -8.168 260 H THR 35 HN THR 35 2.739 -7.411 -2.031 261 HA THR 35 HA THR 35 3.940 -5.600 -0.217 262 HB THR 35 HB THR 35 3.404 -8.491 0.430 263 HG1 THR 35 1HG THR 35 1.504 -7.904 -0.504 264 HG21 THR 35 1HG2 THR 35 3.608 -5.922 1.931 265 HG22 THR 35 2HG2 THR 35 4.246 -7.516 2.333 266 HG23 THR 35 3HG2 THR 35 2.529 -7.176 2.541 267 H SER 36 HN SER 36 5.231 -8.078 -2.167 268 HA SER 36 HA SER 36 7.581 -8.443 -0.470 269 HB2 SER 36 2HB SER 36 6.214 -10.072 -2.366 270 HB3 SER 36 3HB SER 36 7.849 -9.802 -2.967 271 HG SER 36 HG SER 36 8.036 -11.519 -1.638 272 H CYS 37 HN CYS 37 6.598 -6.991 -3.502 273 HA CYS 37 HA CYS 37 9.252 -6.398 -4.396 274 HB2 CYS 37 2HB CYS 37 6.552 -5.335 -5.245 275 HB3 CYS 37 3HB CYS 37 8.066 -4.917 -6.040 276 H LEU 38 HN LEU 38 6.926 -4.848 -2.342 277 HA LEU 38 HA LEU 38 8.096 -2.236 -2.466 278 HB2 LEU 38 2HB LEU 38 6.034 -3.564 -0.762 279 HB3 LEU 38 3HB LEU 38 6.709 -2.014 -0.265 280 HG LEU 38 HG LEU 38 5.166 -2.592 -2.792 281 HD11 LEU 38 1HD1 LEU 38 4.502 -0.786 -0.475 282 HD12 LEU 38 2HD1 LEU 38 3.867 -2.418 -0.677 283 HD13 LEU 38 3HD1 LEU 38 3.482 -1.170 -1.862 284 HD21 LEU 38 1HD2 LEU 38 5.329 0.004 -2.901 285 HD22 LEU 38 2HD2 LEU 38 6.653 -0.986 -3.516 286 HD23 LEU 38 3HD2 LEU 38 6.779 -0.232 -1.925 287 H ARG 39 HN ARG 39 8.102 -4.835 -0.031 288 HA ARG 39 HA ARG 39 9.875 -3.539 1.746 289 HB2 ARG 39 2HB ARG 39 9.254 -6.478 1.400 290 HB3 ARG 39 3HB ARG 39 10.157 -5.798 2.748 291 HG2 ARG 39 2HG ARG 39 8.055 -4.325 3.093 292 HG3 ARG 39 3HG ARG 39 7.254 -5.546 2.101 293 HD2 ARG 39 2HD ARG 39 7.718 -7.257 3.651 294 HD3 ARG 39 3HD ARG 39 8.900 -6.269 4.507 295 HE ARG 39 HE ARG 39 6.113 -6.361 4.991 296 HH11 ARG 39 1HH1 ARG 39 8.809 -4.161 4.888 297 HH12 ARG 39 2HH1 ARG 39 8.119 -3.057 6.031 298 HH21 ARG 39 1HH2 ARG 39 5.194 -4.915 6.497 299 HH22 ARG 39 2HH2 ARG 39 6.063 -3.487 6.945 300 H SER 40 HN SER 40 10.363 -5.381 -1.143 301 HA SER 40 HA SER 40 13.199 -5.771 -0.608 302 HB2 SER 40 2HB SER 40 11.487 -6.540 -2.983 303 HB3 SER 40 3HB SER 40 13.199 -6.928 -2.814 304 HG SER 40 HG SER 40 11.712 -8.612 -2.135 305 H TRP 41 HN TRP 41 11.100 -3.615 -2.297 306 HA TRP 41 HA TRP 41 13.104 -2.567 -4.070 307 HB2 TRP 41 2HB TRP 41 10.811 -2.440 -4.779 308 HB3 TRP 41 3HB TRP 41 10.348 -1.591 -3.307 309 HD1 TRP 41 1HD TRP 41 10.582 1.007 -3.286 310 HE1 TRP 41 1HE TRP 41 11.299 2.751 -5.036 311 HE3 TRP 41 3HE TRP 41 12.505 -2.139 -6.828 312 HZ2 TRP 41 2HZ TRP 41 12.518 2.790 -7.582 313 HZ3 TRP 41 3HZ TRP 41 13.426 -1.167 -8.892 314 HH2 TRP 41 2HH TRP 41 13.431 1.246 -9.260 315 H PHE 42 HN PHE 42 11.571 -1.493 -1.056 316 HA PHE 42 HA PHE 42 12.986 0.957 -0.884 317 HB2 PHE 42 2HB PHE 42 11.675 -0.676 1.300 318 HB3 PHE 42 3HB PHE 42 12.210 0.993 1.460 319 HD1 PHE 42 1HD PHE 42 9.372 -0.492 1.621 320 HD2 PHE 42 2HD PHE 42 11.320 2.051 -1.183 321 HE1 PHE 42 1HE PHE 42 7.183 0.282 0.807 322 HE2 PHE 42 2HE PHE 42 9.134 2.830 -2.000 323 HZ PHE 42 HZ PHE 42 7.062 1.945 -1.005 324 H GLN 43 HN GLN 43 13.910 -2.268 -0.341 325 HA GLN 43 HA GLN 43 15.818 -1.946 1.706 326 HB2 GLN 43 2HB GLN 43 15.451 -3.967 -0.488 327 HB3 GLN 43 3HB GLN 43 16.852 -4.034 0.574 328 HG2 GLN 43 2HG GLN 43 14.250 -3.793 1.922 329 HG3 GLN 43 3HG GLN 43 14.525 -5.300 1.048 330 HE21 GLN 43 1HE2 GLN 43 14.487 -6.366 3.083 331 HE22 GLN 43 2HE2 GLN 43 15.877 -6.352 4.109 332 H ARG 44 HN ARG 44 15.963 -1.474 -1.770 333 HA ARG 44 HA ARG 44 18.756 -0.580 -1.484 334 HB2 ARG 44 2HB ARG 44 17.467 -1.389 -4.082 335 HB3 ARG 44 3HB ARG 44 19.179 -1.226 -3.720 336 HG2 ARG 44 2HG ARG 44 18.198 -3.148 -1.934 337 HG3 ARG 44 3HG ARG 44 17.486 -3.524 -3.504 338 HD2 ARG 44 2HD ARG 44 19.476 -4.680 -3.610 339 HD3 ARG 44 3HD ARG 44 19.912 -3.155 -4.379 340 HE ARG 44 HE ARG 44 21.408 -2.822 -2.698 341 HH11 ARG 44 1HH1 ARG 44 18.953 -5.014 -1.564 342 HH12 ARG 44 2HH1 ARG 44 19.719 -5.285 -0.033 343 HH21 ARG 44 1HH2 ARG 44 22.425 -3.169 -0.686 344 HH22 ARG 44 2HH2 ARG 44 21.693 -4.234 0.465 345 H GLN 45 HN GLN 45 15.580 0.395 -2.092 346 HA GLN 45 HA GLN 45 16.542 3.001 -3.059 347 HB2 GLN 45 2HB GLN 45 14.247 1.357 -4.087 348 HB3 GLN 45 3HB GLN 45 14.257 3.107 -4.269 349 HG2 GLN 45 2HG GLN 45 15.135 2.362 -6.271 350 HG3 GLN 45 3HG GLN 45 16.571 2.771 -5.334 351 HE21 GLN 45 1HE2 GLN 45 18.021 1.404 -6.194 352 HE22 GLN 45 2HE2 GLN 45 17.880 -0.319 -6.171 353 H GLN 46 HN GLN 46 14.504 4.594 -2.906 354 HA GLN 46 HA GLN 46 12.909 4.137 -0.535 355 HB2 GLN 46 2HB GLN 46 15.351 5.232 -0.094 356 HB3 GLN 46 3HB GLN 46 14.400 6.682 -0.388 357 HG2 GLN 46 2HG GLN 46 12.874 6.084 1.386 358 HG3 GLN 46 3HG GLN 46 13.731 4.565 1.644 359 HE21 GLN 46 1HE2 GLN 46 14.136 8.070 1.705 360 HE22 GLN 46 2HE2 GLN 46 15.331 8.091 2.953 361 H THR 47 HN THR 47 12.558 4.700 -3.422 362 HA THR 47 HA THR 47 10.712 6.956 -3.114 363 HB THR 47 HB THR 47 11.597 7.198 -5.741 364 HG1 THR 47 1HG THR 47 13.478 5.916 -4.686 365 HG21 THR 47 1HG2 THR 47 10.931 9.004 -4.191 366 HG22 THR 47 2HG2 THR 47 12.450 9.353 -5.018 367 HG23 THR 47 3HG2 THR 47 12.463 8.812 -3.340 368 H CYS 48 HN CYS 48 8.749 6.505 -3.877 369 HA CYS 48 HA CYS 48 7.801 4.116 -4.649 370 HB2 CYS 48 2HB CYS 48 6.633 6.480 -4.383 371 HB3 CYS 48 3HB CYS 48 6.704 6.458 -6.142 372 HA PRO 49 HA PRO 49 9.672 3.129 -8.531 373 HB2 PRO 49 2HB PRO 49 8.063 1.040 -9.178 374 HB3 PRO 49 3HB PRO 49 9.332 0.932 -7.951 375 HG2 PRO 49 2HG PRO 49 6.387 1.345 -7.601 376 HG3 PRO 49 3HG PRO 49 7.487 0.298 -6.685 377 HD2 PRO 49 2HD PRO 49 6.674 2.712 -5.768 378 HD3 PRO 49 3HD PRO 49 8.274 2.040 -5.397 379 H THR 50 HN THR 50 6.795 4.661 -8.113 380 HA THR 50 HA THR 50 6.321 4.799 -11.016 381 HB THR 50 HB THR 50 4.537 3.517 -9.698 382 HG1 THR 50 1HG THR 50 4.101 5.688 -11.440 383 HG21 THR 50 1HG2 THR 50 2.881 4.841 -8.524 384 HG22 THR 50 2HG2 THR 50 3.790 6.317 -8.850 385 HG23 THR 50 3HG2 THR 50 4.463 5.085 -7.785 386 H CYS 51 HN CYS 51 5.797 6.433 -7.901 387 HA CYS 51 HA CYS 51 5.847 9.011 -9.319 388 HB2 CYS 51 2HB CYS 51 4.636 9.959 -7.496 389 HB3 CYS 51 3HB CYS 51 3.839 8.440 -7.895 390 H ARG 52 HN ARG 52 7.802 6.984 -7.591 391 HA ARG 52 HA ARG 52 9.598 7.282 -6.157 392 HB2 ARG 52 2HB ARG 52 10.237 9.354 -8.260 393 HB3 ARG 52 3HB ARG 52 11.384 8.451 -7.279 394 HG2 ARG 52 2HG ARG 52 9.520 6.888 -8.966 395 HG3 ARG 52 3HG ARG 52 10.802 7.786 -9.780 396 HD2 ARG 52 2HD ARG 52 12.011 6.535 -7.581 397 HD3 ARG 52 3HD ARG 52 10.950 5.326 -8.302 398 HE ARG 52 HE ARG 52 12.233 6.295 -10.447 399 HH11 ARG 52 1HH1 ARG 52 13.380 5.193 -7.351 400 HH12 ARG 52 2HH1 ARG 52 14.903 4.641 -7.966 401 HH21 ARG 52 1HH2 ARG 52 14.234 5.572 -11.269 402 HH22 ARG 52 2HH2 ARG 52 15.388 4.858 -10.194 403 H MET 53 HN MET 53 7.714 8.504 -4.817 404 HA MET 53 HA MET 53 8.699 11.210 -4.211 405 HB2 MET 53 2HB MET 53 6.012 9.908 -3.926 406 HB3 MET 53 3HB MET 53 6.431 11.291 -2.924 407 HG2 MET 53 2HG MET 53 6.537 12.734 -4.727 408 HG3 MET 53 3HG MET 53 6.761 11.426 -5.887 409 HE1 MET 53 1HE MET 53 2.798 11.193 -3.709 410 HE2 MET 53 2HE MET 53 3.978 9.893 -3.880 411 HE3 MET 53 3HE MET 53 4.393 11.348 -2.973 412 H ASP 54 HN ASP 54 9.057 8.134 -3.186 413 HA ASP 54 HA ASP 54 9.932 7.209 -1.298 414 HB2 ASP 54 2HB ASP 54 11.235 9.398 -1.271 415 HB3 ASP 54 3HB ASP 54 10.046 9.981 -0.110 416 H VAL 55 HN VAL 55 9.072 6.256 0.489 417 HA VAL 55 HA VAL 55 6.666 7.486 1.657 418 HB VAL 55 HB VAL 55 5.871 5.035 1.941 419 HG11 VAL 55 1HG1 VAL 55 4.573 5.194 -0.026 420 HG12 VAL 55 2HG1 VAL 55 4.898 6.855 0.474 421 HG13 VAL 55 3HG1 VAL 55 5.810 6.138 -0.856 422 HG21 VAL 55 1HG2 VAL 55 6.581 3.599 0.019 423 HG22 VAL 55 2HG2 VAL 55 7.870 4.761 -0.298 424 HG23 VAL 55 3HG2 VAL 55 7.834 3.876 1.228 425 H LEU 56 HN LEU 56 9.257 5.104 2.066 426 HA LEU 56 HA LEU 56 8.871 4.408 4.709 427 HB2 LEU 56 2HB LEU 56 11.032 4.312 2.795 428 HB3 LEU 56 3HB LEU 56 11.636 4.624 4.420 429 HG LEU 56 HG LEU 56 10.154 2.570 5.058 430 HD11 LEU 56 1HD1 LEU 56 8.992 1.971 3.184 431 HD12 LEU 56 2HD1 LEU 56 10.413 0.942 3.008 432 HD13 LEU 56 3HD1 LEU 56 10.292 2.442 2.089 433 HD21 LEU 56 1HD2 LEU 56 12.730 2.884 4.935 434 HD22 LEU 56 2HD2 LEU 56 12.600 1.904 3.474 435 HD23 LEU 56 3HD2 LEU 56 12.054 1.257 5.022 Start of MODEL 17 1 H1 ALA 1 HN ALA 1 -4.232 -4.080 0.137 2 HA ALA 1 HA ALA 1 -5.856 -2.317 -0.306 3 HB1 ALA 1 1HB ALA 1 -4.595 -1.619 -1.989 4 HB2 ALA 1 2HB ALA 1 -3.979 -3.256 -2.213 5 HB3 ALA 1 3HB ALA 1 -5.420 -2.731 -3.082 6 H THR 2 HN THR 2 -7.815 -1.695 -1.209 7 HA THR 2 HA THR 2 -9.772 -3.727 -1.467 8 HB THR 2 HB THR 2 -11.286 -1.842 -2.176 9 HG1 THR 2 1HG THR 2 -10.471 0.174 -2.353 10 HG21 THR 2 1HG2 THR 2 -10.768 -2.554 0.229 11 HG22 THR 2 2HG2 THR 2 -11.470 -0.953 -0.006 12 HG23 THR 2 3HG2 THR 2 -9.742 -1.122 0.301 13 HA PRO 3 HA PRO 3 -9.686 -4.686 -5.754 14 HB2 PRO 3 2HB PRO 3 -12.310 -5.213 -6.209 15 HB3 PRO 3 3HB PRO 3 -11.256 -6.300 -5.295 16 HG2 PRO 3 2HG PRO 3 -13.228 -4.283 -4.290 17 HG3 PRO 3 3HG PRO 3 -12.927 -5.935 -3.719 18 HD2 PRO 3 2HD PRO 3 -11.936 -3.753 -2.456 19 HD3 PRO 3 3HD PRO 3 -11.080 -5.309 -2.491 20 H GLU 4 HN GLU 4 -11.854 -2.188 -4.605 21 HA GLU 4 HA GLU 4 -12.510 -1.206 -7.226 22 HB2 GLU 4 2HB GLU 4 -13.843 -0.980 -4.988 23 HB3 GLU 4 3HB GLU 4 -12.810 0.419 -4.726 24 HG2 GLU 4 2HG GLU 4 -13.625 0.963 -7.206 25 HG3 GLU 4 3HG GLU 4 -15.006 0.014 -6.658 26 H GLU 5 HN GLU 5 -10.154 -0.461 -4.738 27 HA GLU 5 HA GLU 5 -9.247 1.953 -6.017 28 HB2 GLU 5 2HB GLU 5 -8.190 0.318 -3.716 29 HB3 GLU 5 3HB GLU 5 -7.365 1.748 -4.320 30 HG2 GLU 5 2HG GLU 5 -9.054 3.175 -3.616 31 HG3 GLU 5 3HG GLU 5 -10.237 1.874 -3.498 32 H LEU 6 HN LEU 6 -8.224 -1.410 -5.857 33 HA LEU 6 HA LEU 6 -5.715 -1.097 -7.103 34 HB2 LEU 6 2HB LEU 6 -7.531 -3.318 -6.457 35 HB3 LEU 6 3HB LEU 6 -6.446 -3.608 -7.815 36 HG LEU 6 HG LEU 6 -5.471 -2.722 -5.108 37 HD11 LEU 6 1HD1 LEU 6 -5.284 -5.549 -6.028 38 HD12 LEU 6 2HD1 LEU 6 -6.776 -4.987 -5.275 39 HD13 LEU 6 3HD1 LEU 6 -5.252 -4.889 -4.392 40 HD21 LEU 6 1HD2 LEU 6 -4.096 -4.047 -7.444 41 HD22 LEU 6 2HD2 LEU 6 -3.343 -3.604 -5.912 42 HD23 LEU 6 3HD2 LEU 6 -3.956 -2.349 -6.990 43 H GLN 7 HN GLN 7 -8.842 -2.148 -8.454 44 HA GLN 7 HA GLN 7 -7.942 -2.233 -11.132 45 HB2 GLN 7 2HB GLN 7 -10.303 -2.865 -9.747 46 HB3 GLN 7 3HB GLN 7 -10.765 -1.663 -10.945 47 HG2 GLN 7 2HG GLN 7 -9.060 -3.938 -11.807 48 HG3 GLN 7 3HG GLN 7 -10.769 -4.233 -11.493 49 HE21 GLN 7 1HE2 GLN 7 -12.004 -4.083 -13.209 50 HE22 GLN 7 2HE2 GLN 7 -11.730 -3.076 -14.585 51 H ALA 8 HN ALA 8 -8.405 0.370 -9.117 52 HA ALA 8 HA ALA 8 -9.261 2.203 -11.224 53 HB1 ALA 8 1HB ALA 8 -9.521 3.844 -9.516 54 HB2 ALA 8 2HB ALA 8 -10.216 2.339 -8.915 55 HB3 ALA 8 3HB ALA 8 -8.628 2.863 -8.355 56 H MET 9 HN MET 9 -6.533 0.794 -10.904 57 HA MET 9 HA MET 9 -4.979 3.033 -11.815 58 HB2 MET 9 2HB MET 9 -3.257 2.963 -10.139 59 HB3 MET 9 3HB MET 9 -4.799 3.214 -9.333 60 HG2 MET 9 2HG MET 9 -4.560 1.375 -8.124 61 HG3 MET 9 3HG MET 9 -4.182 0.407 -9.547 62 HE1 MET 9 1HE MET 9 -0.721 -0.434 -9.342 63 HE2 MET 9 2HE MET 9 -2.297 -0.498 -10.133 64 HE3 MET 9 3HE MET 9 -1.148 0.773 -10.557 65 H ASP 10 HN ASP 10 -5.886 0.420 -12.768 66 HA ASP 10 HA ASP 10 -5.003 -1.082 -14.266 67 HB2 ASP 10 2HB ASP 10 -2.922 0.695 -14.030 68 HB3 ASP 10 3HB ASP 10 -2.182 -0.814 -13.499 69 H ASN 11 HN ASN 11 -4.412 -0.960 -10.939 70 HA ASN 11 HA ASN 11 -3.832 -2.517 -9.357 71 HB2 ASN 11 2HB ASN 11 -5.314 -4.327 -9.298 72 HB3 ASN 11 3HB ASN 11 -6.166 -3.144 -10.287 73 HD21 ASN 11 1HD2 ASN 11 -4.661 -6.226 -10.183 74 HD22 ASN 11 2HD2 ASN 11 -5.050 -6.716 -11.793 75 H VAL 12 HN VAL 12 -1.909 -2.254 -11.517 76 HA VAL 12 HA VAL 12 -0.796 -4.986 -11.529 77 HB VAL 12 HB VAL 12 -0.784 -2.853 -13.617 78 HG11 VAL 12 1HG1 VAL 12 1.444 -4.781 -13.067 79 HG12 VAL 12 2HG1 VAL 12 1.104 -4.229 -14.708 80 HG13 VAL 12 3HG1 VAL 12 1.529 -3.063 -13.455 81 HG21 VAL 12 1HG2 VAL 12 -2.033 -4.373 -14.646 82 HG22 VAL 12 2HG2 VAL 12 -0.667 -5.488 -14.644 83 HG23 VAL 12 3HG2 VAL 12 -1.811 -5.493 -13.303 84 H CYS 13 HN CYS 13 1.059 -5.275 -10.482 85 HA CYS 13 HA CYS 13 2.307 -3.193 -9.040 86 HB2 CYS 13 2HB CYS 13 2.396 -5.469 -8.226 87 HB3 CYS 13 3HB CYS 13 3.243 -5.997 -9.677 88 H ILE 14 HN ILE 14 3.520 -1.632 -9.864 89 HA ILE 14 HA ILE 14 4.651 -1.697 -12.452 90 HB ILE 14 HB ILE 14 4.026 0.346 -10.977 91 HG12 ILE 14 2HG1 ILE 14 4.863 0.604 -13.221 92 HG13 ILE 14 3HG1 ILE 14 5.717 1.742 -12.186 93 HG21 ILE 14 1HG2 ILE 14 5.482 -0.228 -9.099 94 HG22 ILE 14 2HG2 ILE 14 6.894 -0.070 -10.143 95 HG23 ILE 14 3HG2 ILE 14 5.903 1.343 -9.780 96 HD11 ILE 14 1HD1 ILE 14 7.443 -0.263 -12.055 97 HD12 ILE 14 2HD1 ILE 14 6.717 -0.642 -13.618 98 HD13 ILE 14 3HD1 ILE 14 7.473 0.929 -13.354 99 H ILE 15 HN ILE 15 6.095 -2.021 -9.222 100 HA ILE 15 HA ILE 15 8.729 -2.082 -9.617 101 HB ILE 15 HB ILE 15 7.225 -4.250 -8.148 102 HG12 ILE 15 2HG1 ILE 15 8.560 -1.945 -6.803 103 HG13 ILE 15 3HG1 ILE 15 7.019 -1.657 -7.603 104 HG21 ILE 15 1HG2 ILE 15 9.294 -5.171 -8.138 105 HG22 ILE 15 2HG2 ILE 15 10.102 -3.631 -8.428 106 HG23 ILE 15 3HG2 ILE 15 9.531 -4.035 -6.810 107 HD11 ILE 15 1HD1 ILE 15 6.147 -3.629 -6.246 108 HD12 ILE 15 2HD1 ILE 15 7.618 -3.457 -5.287 109 HD13 ILE 15 3HD1 ILE 15 6.470 -2.122 -5.389 110 H CYS 16 HN CYS 16 6.634 -4.861 -10.378 111 HA CYS 16 HA CYS 16 8.786 -5.897 -12.103 112 HB2 CYS 16 2HB CYS 16 7.758 -8.124 -11.797 113 HB3 CYS 16 3HB CYS 16 8.281 -7.418 -10.272 114 H ARG 17 HN ARG 17 5.930 -4.289 -12.212 115 HA ARG 17 HA ARG 17 4.274 -3.991 -13.754 116 HB2 ARG 17 2HB ARG 17 6.700 -4.631 -15.403 117 HB3 ARG 17 3HB ARG 17 5.154 -4.313 -16.178 118 HG2 ARG 17 2HG ARG 17 5.304 -2.195 -14.519 119 HG3 ARG 17 3HG ARG 17 7.016 -2.475 -14.841 120 HD2 ARG 17 2HD ARG 17 5.272 -2.592 -17.201 121 HD3 ARG 17 3HD ARG 17 5.362 -1.013 -16.423 122 HE ARG 17 HE ARG 17 7.532 -0.815 -17.137 123 HH11 ARG 17 1HH1 ARG 17 6.483 -4.112 -17.521 124 HH12 ARG 17 2HH1 ARG 17 7.883 -4.590 -18.423 125 HH21 ARG 17 1HH2 ARG 17 9.381 -1.432 -18.323 126 HH22 ARG 17 2HH2 ARG 17 9.531 -3.065 -18.877 127 H GLU 18 HN GLU 18 3.521 -6.135 -12.630 128 HA GLU 18 HA GLU 18 3.049 -8.117 -14.761 129 HB2 GLU 18 2HB GLU 18 3.468 -8.539 -11.804 130 HB3 GLU 18 3HB GLU 18 2.755 -9.765 -12.842 131 HG2 GLU 18 2HG GLU 18 5.497 -8.565 -13.169 132 HG3 GLU 18 3HG GLU 18 5.135 -10.149 -12.483 133 H GLU 19 HN GLU 19 1.569 -8.292 -11.620 134 HA GLU 19 HA GLU 19 -0.802 -6.860 -12.225 135 HB2 GLU 19 2HB GLU 19 -0.682 -9.312 -13.498 136 HB3 GLU 19 3HB GLU 19 -1.612 -9.660 -12.046 137 HG2 GLU 19 2HG GLU 19 -3.198 -7.920 -12.607 138 HG3 GLU 19 3HG GLU 19 -2.245 -7.482 -14.024 139 H MET 20 HN MET 20 -2.232 -6.771 -10.479 140 HA MET 20 HA MET 20 -1.352 -8.199 -8.057 141 HB2 MET 20 2HB MET 20 -2.026 -5.307 -8.453 142 HB3 MET 20 3HB MET 20 -2.303 -6.059 -6.887 143 HG2 MET 20 2HG MET 20 0.007 -6.584 -6.647 144 HG3 MET 20 3HG MET 20 0.344 -6.102 -8.308 145 HE1 MET 20 1HE MET 20 -0.633 -3.904 -9.124 146 HE2 MET 20 2HE MET 20 -1.517 -2.867 -8.005 147 HE3 MET 20 3HE MET 20 0.133 -2.454 -8.474 148 H VAL 21 HN VAL 21 -2.888 -9.725 -7.835 149 HA VAL 21 HA VAL 21 -5.703 -8.966 -8.157 150 HB VAL 21 HB VAL 21 -5.991 -11.535 -7.809 151 HG11 VAL 21 1HG1 VAL 21 -5.111 -11.739 -10.339 152 HG12 VAL 21 2HG1 VAL 21 -6.622 -10.941 -9.899 153 HG13 VAL 21 3HG1 VAL 21 -5.168 -9.984 -10.182 154 HG21 VAL 21 1HG2 VAL 21 -3.151 -11.503 -8.807 155 HG22 VAL 21 2HG2 VAL 21 -3.577 -11.791 -7.121 156 HG23 VAL 21 3HG2 VAL 21 -4.135 -12.902 -8.373 157 H THR 22 HN THR 22 -3.348 -9.784 -5.780 158 HA THR 22 HA THR 22 -4.928 -8.990 -3.614 159 HB THR 22 HB THR 22 -6.076 -11.188 -4.193 160 HG1 THR 22 1HG THR 22 -6.637 -11.052 -2.164 161 HG21 THR 22 1HG2 THR 22 -3.914 -12.594 -2.722 162 HG22 THR 22 2HG2 THR 22 -3.638 -12.239 -4.427 163 HG23 THR 22 3HG2 THR 22 -5.033 -13.201 -3.940 164 H GLY 23 HN GLY 23 -3.885 -9.463 -1.496 165 HA2 GLY 23 1HA GLY 23 -2.039 -9.697 -0.136 166 HA3 GLY 23 2HA GLY 23 -1.265 -10.601 -1.429 167 H ALA 24 HN ALA 24 -2.419 -7.241 -1.128 168 HA ALA 24 HA ALA 24 0.313 -6.279 -1.439 169 HB1 ALA 24 1HB ALA 24 -1.143 -4.666 -3.200 170 HB2 ALA 24 2HB ALA 24 0.111 -5.838 -3.606 171 HB3 ALA 24 3HB ALA 24 -1.584 -6.328 -3.600 172 H LYS 25 HN LYS 25 0.482 -3.930 -1.101 173 HA LYS 25 HA LYS 25 -1.617 -2.994 0.740 174 HB2 LYS 25 2HB LYS 25 1.159 -1.859 0.664 175 HB3 LYS 25 3HB LYS 25 0.007 -1.878 1.993 176 HG2 LYS 25 2HG LYS 25 1.396 -4.319 0.912 177 HG3 LYS 25 3HG LYS 25 1.938 -3.394 2.314 178 HD2 LYS 25 2HD LYS 25 -0.704 -3.854 2.888 179 HD3 LYS 25 3HD LYS 25 -0.227 -5.343 2.070 180 HE2 LYS 25 2HE LYS 25 1.528 -5.731 3.629 181 HE3 LYS 25 3HE LYS 25 1.346 -4.122 4.328 182 HZ1 LYS 25 1HZ LYS 25 -0.615 -6.346 4.495 183 HZ2 LYS 25 2HZ LYS 25 -0.877 -4.785 5.091 184 HZ3 LYS 25 3HZ LYS 25 0.341 -5.751 5.759 185 H ARG 26 HN ARG 26 -1.432 -0.440 0.929 186 HA ARG 26 HA ARG 26 -1.314 0.689 -1.784 187 HB2 ARG 26 2HB ARG 26 -3.656 0.269 -1.262 188 HB3 ARG 26 3HB ARG 26 -3.495 1.138 0.259 189 HG2 ARG 26 2HG ARG 26 -3.254 3.213 -0.836 190 HG3 ARG 26 3HG ARG 26 -3.009 2.439 -2.403 191 HD2 ARG 26 2HD ARG 26 -5.238 3.321 -2.327 192 HD3 ARG 26 3HD ARG 26 -5.329 1.561 -2.267 193 HE ARG 26 HE ARG 26 -6.243 1.714 -0.174 194 HH11 ARG 26 1HH1 ARG 26 -4.812 4.771 -1.023 195 HH12 ARG 26 2HH1 ARG 26 -5.457 5.603 0.354 196 HH21 ARG 26 1HH2 ARG 26 -7.097 2.797 1.643 197 HH22 ARG 26 2HH2 ARG 26 -6.755 4.480 1.870 198 H LEU 27 HN LEU 27 -0.209 2.538 -1.933 199 HA LEU 27 HA LEU 27 0.929 3.679 0.473 200 HB2 LEU 27 2HB LEU 27 1.312 4.329 -2.444 201 HB3 LEU 27 3HB LEU 27 2.178 5.118 -1.128 202 HG LEU 27 HG LEU 27 2.341 2.177 -1.784 203 HD11 LEU 27 1HD1 LEU 27 4.549 4.147 -2.192 204 HD12 LEU 27 2HD1 LEU 27 3.318 3.924 -3.434 205 HD13 LEU 27 3HD1 LEU 27 4.312 2.560 -2.923 206 HD21 LEU 27 1HD2 LEU 27 3.154 2.032 0.284 207 HD22 LEU 27 2HD2 LEU 27 3.203 3.786 0.472 208 HD23 LEU 27 3HD2 LEU 27 4.546 2.942 -0.303 209 HA PRO 28 HA PRO 28 -1.782 7.105 0.913 210 HB2 PRO 28 2HB PRO 28 -0.078 8.992 1.864 211 HB3 PRO 28 3HB PRO 28 -0.624 7.617 2.830 212 HG2 PRO 28 2HG PRO 28 1.946 7.982 1.338 213 HG3 PRO 28 3HG PRO 28 1.678 7.314 2.958 214 HD2 PRO 28 2HD PRO 28 2.084 5.749 0.787 215 HD3 PRO 28 3HD PRO 28 1.051 5.251 2.142 216 H CYS 29 HN CYS 29 0.458 6.934 -1.494 217 HA CYS 29 HA CYS 29 -0.057 9.656 -2.475 218 HB2 CYS 29 2HB CYS 29 1.766 9.022 -4.163 219 HB3 CYS 29 3HB CYS 29 2.266 9.274 -2.494 220 H ASN 30 HN ASN 30 -1.348 6.665 -2.703 221 HA ASN 30 HA ASN 30 -3.040 5.923 -4.076 222 HB2 ASN 30 2HB ASN 30 -2.975 8.510 -4.821 223 HB3 ASN 30 3HB ASN 30 -2.409 7.767 -6.313 224 HD21 ASN 30 1HD2 ASN 30 -4.482 8.807 -7.007 225 HD22 ASN 30 2HD2 ASN 30 -5.915 7.847 -6.905 226 H HIS 31 HN HIS 31 -0.717 4.607 -3.965 227 HA HIS 31 HA HIS 31 -0.499 3.507 -6.645 228 HB2 HIS 31 2HB HIS 31 1.936 4.465 -5.127 229 HB3 HIS 31 3HB HIS 31 1.960 3.567 -6.642 230 HD2 HIS 31 2HD HIS 31 0.070 5.231 -8.544 231 HE1 HIS 31 1HE HIS 31 2.153 8.683 -7.225 232 HE2 HIS 31 2HE HIS 31 0.570 7.738 -8.940 233 H ILE 32 HN ILE 32 -0.837 1.409 -6.389 234 HA ILE 32 HA ILE 32 -0.011 0.124 -3.883 235 HB ILE 32 HB ILE 32 -1.965 -0.764 -6.003 236 HG12 ILE 32 2HG1 ILE 32 -2.889 -0.579 -3.246 237 HG13 ILE 32 3HG1 ILE 32 -2.276 0.959 -3.842 238 HG21 ILE 32 1HG2 ILE 32 -0.538 -2.287 -3.983 239 HG22 ILE 32 2HG2 ILE 32 -2.289 -2.420 -3.822 240 HG23 ILE 32 3HG2 ILE 32 -1.509 -2.846 -5.344 241 HD11 ILE 32 1HD1 ILE 32 -4.058 1.279 -5.129 242 HD12 ILE 32 2HD1 ILE 32 -4.019 -0.374 -5.746 243 HD13 ILE 32 3HD1 ILE 32 -4.807 -0.026 -4.207 244 H PHE 33 HN PHE 33 1.272 -1.696 -3.847 245 HA PHE 33 HA PHE 33 2.235 -2.831 -6.342 246 HB2 PHE 33 2HB PHE 33 4.205 -1.707 -4.344 247 HB3 PHE 33 3HB PHE 33 4.565 -2.426 -5.911 248 HD1 PHE 33 1HD PHE 33 3.888 -1.223 -7.991 249 HD2 PHE 33 2HD PHE 33 3.672 0.575 -4.138 250 HE1 PHE 33 1HE PHE 33 3.782 1.002 -9.039 251 HE2 PHE 33 2HE PHE 33 3.564 2.801 -5.179 252 HZ PHE 33 HZ PHE 33 3.618 3.017 -7.632 253 H HIS 34 HN HIS 34 3.341 -4.837 -6.069 254 HA HIS 34 HA HIS 34 2.265 -6.591 -4.265 255 HB2 HIS 34 2HB HIS 34 4.899 -6.647 -5.723 256 HB3 HIS 34 3HB HIS 34 4.382 -7.984 -4.699 257 HD2 HIS 34 2HD HIS 34 1.194 -7.932 -5.769 258 HE1 HIS 34 1HE HIS 34 3.016 -8.833 -9.493 259 HE2 HIS 34 2HE HIS 34 0.858 -8.755 -8.198 260 H THR 35 HN THR 35 2.529 -7.063 -2.176 261 HA THR 35 HA THR 35 3.956 -5.414 -0.437 262 HB THR 35 HB THR 35 2.839 -8.189 -0.052 263 HG1 THR 35 1HG THR 35 1.097 -7.108 0.483 264 HG21 THR 35 1HG2 THR 35 4.245 -6.399 1.919 265 HG22 THR 35 2HG2 THR 35 4.576 -8.091 1.550 266 HG23 THR 35 3HG2 THR 35 3.107 -7.648 2.419 267 H SER 36 HN SER 36 4.911 -8.313 -2.124 268 HA SER 36 HA SER 36 7.299 -8.716 -0.563 269 HB2 SER 36 2HB SER 36 7.824 -10.381 -2.420 270 HB3 SER 36 3HB SER 36 6.354 -10.689 -1.497 271 HG SER 36 HG SER 36 5.313 -10.566 -3.305 272 H CYS 37 HN CYS 37 6.451 -7.253 -3.647 273 HA CYS 37 HA CYS 37 9.124 -6.833 -4.526 274 HB2 CYS 37 2HB CYS 37 6.514 -5.537 -5.328 275 HB3 CYS 37 3HB CYS 37 8.050 -5.218 -6.129 276 H LEU 38 HN LEU 38 6.922 -5.065 -2.487 277 HA LEU 38 HA LEU 38 8.287 -2.571 -2.576 278 HB2 LEU 38 2HB LEU 38 6.243 -3.798 -0.771 279 HB3 LEU 38 3HB LEU 38 7.022 -2.282 -0.322 280 HG LEU 38 HG LEU 38 5.332 -2.781 -2.770 281 HD11 LEU 38 1HD1 LEU 38 3.834 -1.134 -1.715 282 HD12 LEU 38 2HD1 LEU 38 4.873 -1.129 -0.291 283 HD13 LEU 38 3HD1 LEU 38 4.017 -2.600 -0.751 284 HD21 LEU 38 1HD2 LEU 38 7.364 -0.823 -2.274 285 HD22 LEU 38 2HD2 LEU 38 5.789 -0.037 -2.376 286 HD23 LEU 38 3HD2 LEU 38 6.357 -1.049 -3.704 287 H ARG 39 HN ARG 39 8.475 -5.403 -0.483 288 HA ARG 39 HA ARG 39 10.186 -4.294 1.465 289 HB2 ARG 39 2HB ARG 39 9.806 -7.164 0.599 290 HB3 ARG 39 3HB ARG 39 10.705 -6.667 2.026 291 HG2 ARG 39 2HG ARG 39 7.808 -6.826 1.574 292 HG3 ARG 39 3HG ARG 39 8.745 -7.031 3.055 293 HD2 ARG 39 2HD ARG 39 8.135 -4.386 1.742 294 HD3 ARG 39 3HD ARG 39 7.257 -5.059 3.115 295 HE ARG 39 HE ARG 39 9.729 -3.679 3.203 296 HH11 ARG 39 1HH1 ARG 39 8.006 -6.331 4.659 297 HH12 ARG 39 2HH1 ARG 39 8.849 -6.220 6.168 298 HH21 ARG 39 1HH2 ARG 39 10.846 -3.523 5.185 299 HH22 ARG 39 2HH2 ARG 39 10.463 -4.623 6.467 300 H SER 40 HN SER 40 10.871 -6.268 -1.414 301 HA SER 40 HA SER 40 13.714 -6.074 -1.058 302 HB2 SER 40 2HB SER 40 12.282 -7.920 -2.277 303 HB3 SER 40 3HB SER 40 12.472 -6.853 -3.669 304 HG SER 40 HG SER 40 14.771 -7.393 -2.215 305 H TRP 41 HN TRP 41 11.337 -4.046 -2.340 306 HA TRP 41 HA TRP 41 13.087 -2.745 -4.260 307 HB2 TRP 41 2HB TRP 41 10.795 -2.892 -4.920 308 HB3 TRP 41 3HB TRP 41 10.243 -2.227 -3.385 309 HD1 TRP 41 1HD TRP 41 9.993 0.353 -3.226 310 HE1 TRP 41 1HE TRP 41 10.414 2.307 -4.848 311 HE3 TRP 41 3HE TRP 41 12.474 -2.172 -6.916 312 HZ2 TRP 41 2HZ TRP 41 11.634 2.723 -7.359 313 HZ3 TRP 41 3HZ TRP 41 13.234 -0.922 -8.894 314 HH2 TRP 41 2HH TRP 41 12.822 1.474 -9.110 315 H PHE 42 HN PHE 42 11.561 -2.019 -1.144 316 HA PHE 42 HA PHE 42 12.647 0.604 -0.940 317 HB2 PHE 42 2HB PHE 42 11.428 -1.272 1.085 318 HB3 PHE 42 3HB PHE 42 12.002 0.337 1.508 319 HD1 PHE 42 1HD PHE 42 11.145 2.047 -0.594 320 HD2 PHE 42 2HD PHE 42 9.137 -1.310 1.085 321 HE1 PHE 42 1HE PHE 42 8.983 2.999 -1.284 322 HE2 PHE 42 2HE PHE 42 6.973 -0.364 0.396 323 HZ PHE 42 HZ PHE 42 6.894 1.793 -0.789 324 H GLN 43 HN GLN 43 14.096 -2.377 -0.783 325 HA GLN 43 HA GLN 43 15.913 -2.036 1.361 326 HB2 GLN 43 2HB GLN 43 15.549 -3.903 -0.872 327 HB3 GLN 43 3HB GLN 43 17.231 -3.672 -0.408 328 HG2 GLN 43 2HG GLN 43 15.688 -4.004 1.954 329 HG3 GLN 43 3HG GLN 43 15.268 -5.288 0.822 330 HE21 GLN 43 1HE2 GLN 43 16.373 -7.046 1.263 331 HE22 GLN 43 2HE2 GLN 43 18.040 -7.121 1.706 332 H ARG 44 HN ARG 44 16.010 -1.168 -2.050 333 HA ARG 44 HA ARG 44 18.473 0.356 -1.514 334 HB2 ARG 44 2HB ARG 44 17.788 -1.005 -4.123 335 HB3 ARG 44 3HB ARG 44 19.266 -0.130 -3.749 336 HG2 ARG 44 2HG ARG 44 20.140 -1.841 -2.536 337 HG3 ARG 44 3HG ARG 44 18.559 -2.428 -2.017 338 HD2 ARG 44 2HD ARG 44 18.155 -3.443 -4.133 339 HD3 ARG 44 3HD ARG 44 19.564 -2.657 -4.845 340 HE ARG 44 HE ARG 44 20.143 -4.409 -2.623 341 HH11 ARG 44 1HH1 ARG 44 19.787 -4.118 -6.075 342 HH12 ARG 44 2HH1 ARG 44 20.755 -5.512 -6.423 343 HH21 ARG 44 1HH2 ARG 44 21.419 -6.246 -3.069 344 HH22 ARG 44 2HH2 ARG 44 21.682 -6.722 -4.712 345 H GLN 45 HN GLN 45 15.264 0.408 -2.486 346 HA GLN 45 HA GLN 45 15.610 3.085 -3.664 347 HB2 GLN 45 2HB GLN 45 13.964 0.779 -4.573 348 HB3 GLN 45 3HB GLN 45 13.277 2.389 -4.753 349 HG2 GLN 45 2HG GLN 45 14.366 1.800 -6.788 350 HG3 GLN 45 3HG GLN 45 15.311 3.061 -5.998 351 HE21 GLN 45 1HE2 GLN 45 17.373 2.723 -6.392 352 HE22 GLN 45 2HE2 GLN 45 18.191 1.204 -6.305 353 H GLN 46 HN GLN 46 15.267 4.126 -1.696 354 HA GLN 46 HA GLN 46 12.925 3.565 -0.116 355 HB2 GLN 46 2HB GLN 46 15.262 4.489 0.634 356 HB3 GLN 46 3HB GLN 46 14.567 6.048 0.209 357 HG2 GLN 46 2HG GLN 46 12.755 5.695 1.782 358 HG3 GLN 46 3HG GLN 46 13.391 4.099 2.178 359 HE21 GLN 46 1HE2 GLN 46 13.275 5.111 4.361 360 HE22 GLN 46 2HE2 GLN 46 14.663 5.980 4.911 361 H THR 47 HN THR 47 12.152 4.141 -2.698 362 HA THR 47 HA THR 47 10.415 6.403 -2.245 363 HB THR 47 HB THR 47 11.421 6.846 -4.871 364 HG1 THR 47 1HG THR 47 13.348 5.820 -3.869 365 HG21 THR 47 1HG2 THR 47 10.313 8.487 -3.394 366 HG22 THR 47 2HG2 THR 47 11.851 9.080 -4.021 367 HG23 THR 47 3HG2 THR 47 11.742 8.494 -2.361 368 H CYS 48 HN CYS 48 8.596 6.414 -3.588 369 HA CYS 48 HA CYS 48 7.532 4.021 -4.375 370 HB2 CYS 48 2HB CYS 48 6.558 6.509 -4.263 371 HB3 CYS 48 3HB CYS 48 6.771 6.389 -6.006 372 HA PRO 49 HA PRO 49 9.755 2.877 -8.019 373 HB2 PRO 49 2HB PRO 49 8.064 0.931 -8.873 374 HB3 PRO 49 3HB PRO 49 9.163 0.717 -7.504 375 HG2 PRO 49 2HG PRO 49 6.243 1.378 -7.503 376 HG3 PRO 49 3HG PRO 49 7.134 0.243 -6.473 377 HD2 PRO 49 2HD PRO 49 6.424 2.719 -5.638 378 HD3 PRO 49 3HD PRO 49 7.905 1.913 -5.083 379 H THR 50 HN THR 50 6.980 4.641 -7.933 380 HA THR 50 HA THR 50 6.934 4.895 -10.861 381 HB THR 50 HB THR 50 4.954 3.576 -10.062 382 HG1 THR 50 1HG THR 50 3.636 5.727 -11.002 383 HG21 THR 50 1HG2 THR 50 4.700 4.853 -7.918 384 HG22 THR 50 2HG2 THR 50 3.205 4.649 -8.831 385 HG23 THR 50 3HG2 THR 50 4.055 6.193 -8.863 386 H CYS 51 HN CYS 51 5.834 6.372 -7.812 387 HA CYS 51 HA CYS 51 6.033 9.018 -9.043 388 HB2 CYS 51 2HB CYS 51 4.616 9.808 -7.389 389 HB3 CYS 51 3HB CYS 51 4.049 8.151 -7.572 390 H ARG 52 HN ARG 52 7.975 6.929 -7.371 391 HA ARG 52 HA ARG 52 9.728 7.173 -5.879 392 HB2 ARG 52 2HB ARG 52 10.226 9.185 -8.073 393 HB3 ARG 52 3HB ARG 52 11.435 8.776 -6.863 394 HG2 ARG 52 2HG ARG 52 11.378 6.445 -7.591 395 HG3 ARG 52 3HG ARG 52 10.168 6.858 -8.806 396 HD2 ARG 52 2HD ARG 52 12.731 8.373 -8.762 397 HD3 ARG 52 3HD ARG 52 12.731 6.733 -9.407 398 HE ARG 52 HE ARG 52 11.703 9.058 -10.674 399 HH11 ARG 52 1HH1 ARG 52 11.159 5.641 -10.292 400 HH12 ARG 52 2HH1 ARG 52 10.356 5.465 -11.817 401 HH21 ARG 52 1HH2 ARG 52 10.647 8.840 -12.684 402 HH22 ARG 52 2HH2 ARG 52 10.065 7.286 -13.177 403 H MET 53 HN MET 53 7.875 8.215 -4.439 404 HA MET 53 HA MET 53 8.982 10.757 -3.461 405 HB2 MET 53 2HB MET 53 6.812 11.046 -4.742 406 HB3 MET 53 3HB MET 53 6.031 10.127 -3.463 407 HG2 MET 53 2HG MET 53 6.756 11.809 -1.831 408 HG3 MET 53 3HG MET 53 7.491 12.738 -3.137 409 HE1 MET 53 1HE MET 53 4.376 10.938 -2.020 410 HE2 MET 53 2HE MET 53 3.028 11.977 -2.480 411 HE3 MET 53 3HE MET 53 3.807 10.957 -3.689 412 H ASP 54 HN ASP 54 9.657 10.558 -1.439 413 HA ASP 54 HA ASP 54 9.691 8.437 0.176 414 HB2 ASP 54 2HB ASP 54 10.822 10.385 0.912 415 HB3 ASP 54 3HB ASP 54 9.334 11.329 0.946 416 H VAL 55 HN VAL 55 8.301 7.141 1.179 417 HA VAL 55 HA VAL 55 5.548 8.108 1.600 418 HB VAL 55 HB VAL 55 4.893 5.672 1.471 419 HG11 VAL 55 1HG1 VAL 55 5.441 7.550 -0.593 420 HG12 VAL 55 2HG1 VAL 55 5.802 5.932 -1.199 421 HG13 VAL 55 3HG1 VAL 55 4.204 6.294 -0.545 422 HG21 VAL 55 1HG2 VAL 55 7.008 4.611 1.825 423 HG22 VAL 55 2HG2 VAL 55 6.470 4.213 0.194 424 HG23 VAL 55 3HG2 VAL 55 7.715 5.438 0.437 425 H LEU 56 HN LEU 56 8.063 5.936 2.848 426 HA LEU 56 HA LEU 56 7.028 4.927 5.107 427 HB2 LEU 56 2HB LEU 56 9.716 6.240 4.775 428 HB3 LEU 56 3HB LEU 56 9.270 5.290 6.190 429 HG LEU 56 HG LEU 56 10.376 3.694 5.011 430 HD11 LEU 56 1HD1 LEU 56 7.726 3.503 3.594 431 HD12 LEU 56 2HD1 LEU 56 7.978 3.025 5.272 432 HD13 LEU 56 3HD1 LEU 56 8.844 2.193 3.980 433 HD21 LEU 56 1HD2 LEU 56 11.208 4.255 3.032 434 HD22 LEU 56 2HD2 LEU 56 10.004 5.530 2.844 435 HD23 LEU 56 3HD2 LEU 56 9.645 3.890 2.302 Start of MODEL 18 1 H1 ALA 1 HN ALA 1 -4.312 -4.058 0.064 2 HA ALA 1 HA ALA 1 -5.731 -1.798 -0.553 3 HB1 ALA 1 1HB ALA 1 -3.901 -2.248 -1.918 4 HB2 ALA 1 2HB ALA 1 -4.461 -3.876 -2.298 5 HB3 ALA 1 3HB ALA 1 -5.281 -2.478 -2.992 6 H THR 2 HN THR 2 -7.670 -1.301 -1.451 7 HA THR 2 HA THR 2 -9.695 -3.360 -1.438 8 HB THR 2 HB THR 2 -11.057 -1.229 -2.324 9 HG1 THR 2 1HG THR 2 -8.948 -0.051 -2.336 10 HG21 THR 2 1HG2 THR 2 -11.618 -2.344 -0.286 11 HG22 THR 2 2HG2 THR 2 -11.419 -0.632 0.092 12 HG23 THR 2 3HG2 THR 2 -10.143 -1.779 0.496 13 HA PRO 3 HA PRO 3 -9.953 -4.213 -5.735 14 HB2 PRO 3 2HB PRO 3 -12.633 -4.421 -6.120 15 HB3 PRO 3 3HB PRO 3 -11.690 -5.636 -5.248 16 HG2 PRO 3 2HG PRO 3 -13.380 -3.414 -4.165 17 HG3 PRO 3 3HG PRO 3 -13.261 -5.097 -3.620 18 HD2 PRO 3 2HD PRO 3 -11.984 -3.065 -2.365 19 HD3 PRO 3 3HD PRO 3 -11.319 -4.711 -2.440 20 H GLU 4 HN GLU 4 -11.944 -1.561 -4.542 21 HA GLU 4 HA GLU 4 -12.526 -0.456 -7.102 22 HB2 GLU 4 2HB GLU 4 -13.622 -0.070 -4.717 23 HB3 GLU 4 3HB GLU 4 -12.472 1.258 -4.663 24 HG2 GLU 4 2HG GLU 4 -13.433 2.298 -6.548 25 HG3 GLU 4 3HG GLU 4 -14.382 0.867 -6.945 26 H GLU 5 HN GLU 5 -9.959 -0.015 -4.753 27 HA GLU 5 HA GLU 5 -8.824 2.243 -6.154 28 HB2 GLU 5 2HB GLU 5 -7.711 0.594 -3.877 29 HB3 GLU 5 3HB GLU 5 -7.034 2.103 -4.474 30 HG2 GLU 5 2HG GLU 5 -9.833 1.911 -3.415 31 HG3 GLU 5 3HG GLU 5 -8.445 2.220 -2.374 32 H LEU 6 HN LEU 6 -8.294 -1.212 -5.919 33 HA LEU 6 HA LEU 6 -5.768 -1.255 -7.218 34 HB2 LEU 6 2HB LEU 6 -7.848 -3.272 -6.533 35 HB3 LEU 6 3HB LEU 6 -6.600 -3.709 -7.698 36 HG LEU 6 HG LEU 6 -6.015 -2.721 -4.911 37 HD11 LEU 6 1HD1 LEU 6 -7.261 -4.814 -4.797 38 HD12 LEU 6 2HD1 LEU 6 -5.575 -5.053 -4.340 39 HD13 LEU 6 3HD1 LEU 6 -6.135 -5.554 -5.935 40 HD21 LEU 6 1HD2 LEU 6 -3.852 -4.045 -5.545 41 HD22 LEU 6 2HD2 LEU 6 -4.077 -2.386 -6.102 42 HD23 LEU 6 3HD2 LEU 6 -4.389 -3.735 -7.196 43 H GLN 7 HN GLN 7 -9.020 -2.139 -8.394 44 HA GLN 7 HA GLN 7 -8.209 -2.396 -11.097 45 HB2 GLN 7 2HB GLN 7 -10.500 -2.967 -9.631 46 HB3 GLN 7 3HB GLN 7 -11.017 -1.719 -10.756 47 HG2 GLN 7 2HG GLN 7 -9.411 -3.921 -11.886 48 HG3 GLN 7 3HG GLN 7 -11.035 -4.328 -11.333 49 HE21 GLN 7 1HE2 GLN 7 -12.817 -3.364 -12.334 50 HE22 GLN 7 2HE2 GLN 7 -12.694 -2.625 -13.890 51 H ALA 8 HN ALA 8 -8.375 0.300 -9.230 52 HA ALA 8 HA ALA 8 -9.265 2.060 -11.401 53 HB1 ALA 8 1HB ALA 8 -9.052 2.356 -8.448 54 HB2 ALA 8 2HB ALA 8 -8.924 3.799 -9.455 55 HB3 ALA 8 3HB ALA 8 -10.369 2.793 -9.537 56 H MET 9 HN MET 9 -6.559 0.594 -10.903 57 HA MET 9 HA MET 9 -4.941 2.745 -11.936 58 HB2 MET 9 2HB MET 9 -3.219 2.655 -10.237 59 HB3 MET 9 3HB MET 9 -4.756 3.068 -9.489 60 HG2 MET 9 2HG MET 9 -4.740 1.257 -8.198 61 HG3 MET 9 3HG MET 9 -4.245 0.207 -9.524 62 HE1 MET 9 1HE MET 9 -2.249 -0.784 -9.832 63 HE2 MET 9 2HE MET 9 -1.253 0.574 -10.357 64 HE3 MET 9 3HE MET 9 -0.697 -0.475 -9.053 65 H ASP 10 HN ASP 10 -5.893 0.180 -12.865 66 HA ASP 10 HA ASP 10 -5.069 -1.465 -14.222 67 HB2 ASP 10 2HB ASP 10 -2.978 0.323 -14.145 68 HB3 ASP 10 3HB ASP 10 -2.227 -1.164 -13.573 69 H ASN 11 HN ASN 11 -4.679 -1.217 -10.949 70 HA ASN 11 HA ASN 11 -3.977 -2.651 -9.276 71 HB2 ASN 11 2HB ASN 11 -5.432 -4.484 -9.125 72 HB3 ASN 11 3HB ASN 11 -6.307 -3.345 -10.144 73 HD21 ASN 11 1HD2 ASN 11 -4.779 -6.410 -9.946 74 HD22 ASN 11 2HD2 ASN 11 -5.186 -6.963 -11.532 75 H VAL 12 HN VAL 12 -2.038 -2.481 -11.409 76 HA VAL 12 HA VAL 12 -0.904 -5.200 -11.274 77 HB VAL 12 HB VAL 12 -0.870 -3.189 -13.494 78 HG11 VAL 12 1HG1 VAL 12 1.353 -3.471 -13.675 79 HG12 VAL 12 2HG1 VAL 12 1.356 -4.915 -12.662 80 HG13 VAL 12 3HG1 VAL 12 0.916 -5.032 -14.366 81 HG21 VAL 12 1HG2 VAL 12 -1.917 -4.786 -14.684 82 HG22 VAL 12 2HG2 VAL 12 -0.919 -6.081 -14.019 83 HG23 VAL 12 3HG2 VAL 12 -2.292 -5.465 -13.099 84 H CYS 13 HN CYS 13 0.990 -5.406 -10.272 85 HA CYS 13 HA CYS 13 2.203 -3.250 -8.923 86 HB2 CYS 13 2HB CYS 13 2.398 -5.507 -8.068 87 HB3 CYS 13 3HB CYS 13 3.236 -6.027 -9.527 88 H ILE 14 HN ILE 14 3.291 -1.650 -9.842 89 HA ILE 14 HA ILE 14 4.380 -1.738 -12.443 90 HB ILE 14 HB ILE 14 3.695 0.314 -11.011 91 HG12 ILE 14 2HG1 ILE 14 4.477 0.549 -13.278 92 HG13 ILE 14 3HG1 ILE 14 5.298 1.751 -12.289 93 HG21 ILE 14 1HG2 ILE 14 6.595 0.054 -10.225 94 HG22 ILE 14 2HG2 ILE 14 5.545 1.427 -9.878 95 HG23 ILE 14 3HG2 ILE 14 5.212 -0.144 -9.149 96 HD11 ILE 14 1HD1 ILE 14 7.063 0.982 -13.480 97 HD12 ILE 14 2HD1 ILE 14 7.116 -0.168 -12.143 98 HD13 ILE 14 3HD1 ILE 14 6.374 -0.630 -13.675 99 H ILE 15 HN ILE 15 5.909 -1.908 -9.241 100 HA ILE 15 HA ILE 15 8.532 -1.859 -9.685 101 HB ILE 15 HB ILE 15 7.164 -4.072 -8.150 102 HG12 ILE 15 2HG1 ILE 15 8.401 -1.701 -6.842 103 HG13 ILE 15 3HG1 ILE 15 6.860 -1.464 -7.658 104 HG21 ILE 15 1HG2 ILE 15 9.980 -3.402 -8.585 105 HG22 ILE 15 2HG2 ILE 15 9.532 -3.594 -6.891 106 HG23 ILE 15 3HG2 ILE 15 9.241 -4.906 -8.032 107 HD11 ILE 15 1HD1 ILE 15 7.492 -3.209 -5.312 108 HD12 ILE 15 2HD1 ILE 15 6.288 -1.928 -5.455 109 HD13 ILE 15 3HD1 ILE 15 6.047 -3.463 -6.289 110 H CYS 16 HN CYS 16 6.577 -4.771 -10.322 111 HA CYS 16 HA CYS 16 8.726 -5.709 -12.108 112 HB2 CYS 16 2HB CYS 16 7.931 -7.987 -11.686 113 HB3 CYS 16 3HB CYS 16 8.365 -7.186 -10.179 114 H ARG 17 HN ARG 17 5.823 -4.245 -12.179 115 HA ARG 17 HA ARG 17 4.081 -4.102 -13.650 116 HB2 ARG 17 2HB ARG 17 6.416 -4.778 -15.430 117 HB3 ARG 17 3HB ARG 17 4.825 -4.403 -16.079 118 HG2 ARG 17 2HG ARG 17 5.184 -2.296 -14.435 119 HG3 ARG 17 3HG ARG 17 6.852 -2.635 -14.900 120 HD2 ARG 17 2HD ARG 17 5.516 -2.827 -17.286 121 HD3 ARG 17 3HD ARG 17 4.648 -1.528 -16.467 122 HE ARG 17 HE ARG 17 6.436 -0.188 -16.882 123 HH11 ARG 17 1HH1 ARG 17 7.530 -3.492 -16.865 124 HH12 ARG 17 2HH1 ARG 17 9.161 -3.092 -17.291 125 HH21 ARG 17 1HH2 ARG 17 8.580 0.352 -17.442 126 HH22 ARG 17 2HH2 ARG 17 9.758 -0.904 -17.618 127 H GLU 18 HN GLU 18 3.553 -6.267 -12.376 128 HA GLU 18 HA GLU 18 3.130 -8.385 -14.380 129 HB2 GLU 18 2HB GLU 18 3.558 -8.516 -11.406 130 HB3 GLU 18 3HB GLU 18 2.798 -9.841 -12.277 131 HG2 GLU 18 2HG GLU 18 5.502 -8.728 -12.973 132 HG3 GLU 18 3HG GLU 18 5.251 -10.089 -11.880 133 H GLU 19 HN GLU 19 1.564 -8.367 -11.277 134 HA GLU 19 HA GLU 19 -0.827 -7.059 -12.003 135 HB2 GLU 19 2HB GLU 19 -0.568 -9.640 -13.108 136 HB3 GLU 19 3HB GLU 19 -1.702 -9.792 -11.774 137 HG2 GLU 19 2HG GLU 19 -3.318 -8.814 -12.931 138 HG3 GLU 19 3HG GLU 19 -2.279 -7.456 -13.360 139 H MET 20 HN MET 20 -2.337 -7.002 -10.313 140 HA MET 20 HA MET 20 -1.534 -8.388 -7.844 141 HB2 MET 20 2HB MET 20 -2.096 -5.481 -8.284 142 HB3 MET 20 3HB MET 20 -2.466 -6.206 -6.725 143 HG2 MET 20 2HG MET 20 -0.211 -6.754 -6.330 144 HG3 MET 20 3HG MET 20 0.237 -6.435 -8.004 145 HE1 MET 20 1HE MET 20 -1.617 -3.149 -7.925 146 HE2 MET 20 2HE MET 20 0.023 -2.730 -8.423 147 HE3 MET 20 3HE MET 20 -0.722 -4.219 -9.005 148 H VAL 21 HN VAL 21 -3.118 -9.845 -7.586 149 HA VAL 21 HA VAL 21 -5.880 -9.141 -8.188 150 HB VAL 21 HB VAL 21 -6.215 -11.597 -7.357 151 HG11 VAL 21 1HG1 VAL 21 -6.668 -11.356 -9.575 152 HG12 VAL 21 2HG1 VAL 21 -5.124 -10.571 -9.919 153 HG13 VAL 21 3HG1 VAL 21 -5.197 -12.320 -9.700 154 HG21 VAL 21 1HG2 VAL 21 -4.340 -13.020 -7.436 155 HG22 VAL 21 2HG2 VAL 21 -3.315 -11.766 -8.135 156 HG23 VAL 21 3HG2 VAL 21 -3.838 -11.643 -6.455 157 H THR 22 HN THR 22 -3.772 -9.446 -5.480 158 HA THR 22 HA THR 22 -5.458 -8.210 -3.665 159 HB THR 22 HB THR 22 -6.944 -10.081 -3.702 160 HG1 THR 22 1HG THR 22 -6.698 -10.810 -1.497 161 HG21 THR 22 1HG2 THR 22 -4.462 -11.751 -3.328 162 HG22 THR 22 2HG2 THR 22 -5.616 -11.806 -4.662 163 HG23 THR 22 3HG2 THR 22 -6.091 -12.371 -3.060 164 H GLY 23 HN GLY 23 -2.837 -10.410 -4.285 165 HA2 GLY 23 1HA GLY 23 -1.668 -10.236 -1.672 166 HA3 GLY 23 2HA GLY 23 -0.902 -10.881 -3.117 167 H ALA 24 HN ALA 24 -2.172 -7.662 -2.268 168 HA ALA 24 HA ALA 24 0.500 -6.539 -2.339 169 HB1 ALA 24 1HB ALA 24 0.405 -5.984 -4.497 170 HB2 ALA 24 2HB ALA 24 -1.316 -6.357 -4.603 171 HB3 ALA 24 3HB ALA 24 -0.791 -4.779 -4.019 172 H LYS 25 HN LYS 25 0.545 -4.279 -1.675 173 HA LYS 25 HA LYS 25 -1.761 -3.619 0.031 174 HB2 LYS 25 2HB LYS 25 1.011 -2.496 0.364 175 HB3 LYS 25 3HB LYS 25 -0.291 -2.564 1.546 176 HG2 LYS 25 2HG LYS 25 1.305 -4.895 0.503 177 HG3 LYS 25 3HG LYS 25 1.421 -4.165 2.107 178 HD2 LYS 25 2HD LYS 25 -1.301 -4.837 1.623 179 HD3 LYS 25 3HD LYS 25 -0.305 -6.240 1.229 180 HE2 LYS 25 2HE LYS 25 -0.733 -6.521 3.493 181 HE3 LYS 25 3HE LYS 25 0.857 -5.762 3.483 182 HZ1 LYS 25 1HZ LYS 25 -1.398 -4.882 4.803 183 HZ2 LYS 25 2HZ LYS 25 -1.185 -3.797 3.524 184 HZ3 LYS 25 3HZ LYS 25 0.067 -4.056 4.631 185 H ARG 26 HN ARG 26 -1.514 -1.059 0.579 186 HA ARG 26 HA ARG 26 -1.400 0.317 -2.023 187 HB2 ARG 26 2HB ARG 26 -3.724 0.021 -1.348 188 HB3 ARG 26 3HB ARG 26 -3.384 0.748 0.216 189 HG2 ARG 26 2HG ARG 26 -2.981 2.880 -0.786 190 HG3 ARG 26 3HG ARG 26 -3.078 2.188 -2.407 191 HD2 ARG 26 2HD ARG 26 -5.143 3.328 -1.879 192 HD3 ARG 26 3HD ARG 26 -5.430 1.592 -1.982 193 HE ARG 26 HE ARG 26 -4.989 1.986 0.656 194 HH11 ARG 26 1HH1 ARG 26 -7.110 3.485 -1.662 195 HH12 ARG 26 2HH1 ARG 26 -8.334 3.859 -0.494 196 HH21 ARG 26 1HH2 ARG 26 -6.592 2.473 2.202 197 HH22 ARG 26 2HH2 ARG 26 -8.039 3.284 1.703 198 H LEU 27 HN LEU 27 -0.353 2.238 -2.096 199 HA LEU 27 HA LEU 27 1.118 3.024 0.291 200 HB2 LEU 27 2HB LEU 27 1.306 3.882 -2.590 201 HB3 LEU 27 3HB LEU 27 2.297 4.560 -1.300 202 HG LEU 27 HG LEU 27 2.316 1.695 -2.247 203 HD11 LEU 27 1HD1 LEU 27 4.445 3.814 -2.458 204 HD12 LEU 27 2HD1 LEU 27 3.359 3.357 -3.770 205 HD13 LEU 27 3HD1 LEU 27 4.495 2.178 -3.114 206 HD21 LEU 27 1HD2 LEU 27 2.871 1.457 -0.034 207 HD22 LEU 27 2HD2 LEU 27 3.562 3.075 0.083 208 HD23 LEU 27 3HD2 LEU 27 4.455 1.792 -0.734 209 HA PRO 28 HA PRO 28 -1.316 6.546 1.267 210 HB2 PRO 28 2HB PRO 28 0.581 8.242 2.215 211 HB3 PRO 28 3HB PRO 28 0.034 6.816 3.106 212 HG2 PRO 28 2HG PRO 28 2.482 7.172 1.422 213 HG3 PRO 28 3HG PRO 28 2.314 6.375 2.997 214 HD2 PRO 28 2HD PRO 28 2.430 4.994 0.671 215 HD3 PRO 28 3HD PRO 28 1.488 4.433 2.068 216 H CYS 29 HN CYS 29 0.684 6.466 -1.345 217 HA CYS 29 HA CYS 29 0.110 9.262 -2.078 218 HB2 CYS 29 2HB CYS 29 1.973 8.871 -3.796 219 HB3 CYS 29 3HB CYS 29 2.452 9.037 -2.110 220 H ASN 30 HN ASN 30 -1.474 6.663 -2.353 221 HA ASN 30 HA ASN 30 -2.997 5.834 -3.830 222 HB2 ASN 30 2HB ASN 30 -2.258 7.836 -5.922 223 HB3 ASN 30 3HB ASN 30 -3.847 7.228 -5.464 224 HD21 ASN 30 1HD2 ASN 30 -3.234 7.658 -2.600 225 HD22 ASN 30 2HD2 ASN 30 -3.415 9.358 -2.349 226 H HIS 31 HN HIS 31 -0.641 4.532 -3.740 227 HA HIS 31 HA HIS 31 -0.382 3.565 -6.481 228 HB2 HIS 31 2HB HIS 31 1.953 4.453 -4.780 229 HB3 HIS 31 3HB HIS 31 2.116 3.469 -6.231 230 HD2 HIS 31 2HD HIS 31 0.501 5.022 -8.431 231 HE1 HIS 31 1HE HIS 31 2.410 8.555 -7.063 232 HE2 HIS 31 2HE HIS 31 1.050 7.505 -8.904 233 H ILE 32 HN ILE 32 -1.002 1.515 -6.270 234 HA ILE 32 HA ILE 32 -0.304 0.021 -3.860 235 HB ILE 32 HB ILE 32 -2.238 -0.470 -6.103 236 HG12 ILE 32 2HG1 ILE 32 -2.999 -0.906 -3.295 237 HG13 ILE 32 3HG1 ILE 32 -2.501 0.743 -3.662 238 HG21 ILE 32 1HG2 ILE 32 -0.841 -2.466 -4.480 239 HG22 ILE 32 2HG2 ILE 32 -2.597 -2.614 -4.458 240 HG23 ILE 32 3HG2 ILE 32 -1.730 -2.651 -5.992 241 HD11 ILE 32 1HD1 ILE 32 -4.619 1.045 -4.269 242 HD12 ILE 32 2HD1 ILE 32 -4.183 0.165 -5.734 243 HD13 ILE 32 3HD1 ILE 32 -4.930 -0.687 -4.382 244 H PHE 33 HN PHE 33 1.050 -1.700 -3.817 245 HA PHE 33 HA PHE 33 2.043 -2.849 -6.295 246 HB2 PHE 33 2HB PHE 33 3.942 -1.624 -4.284 247 HB3 PHE 33 3HB PHE 33 4.387 -2.467 -5.766 248 HD1 PHE 33 1HD PHE 33 3.120 -1.437 -7.922 249 HD2 PHE 33 2HD PHE 33 4.085 0.655 -4.344 250 HE1 PHE 33 1HE PHE 33 3.057 0.692 -9.154 251 HE2 PHE 33 2HE PHE 33 4.022 2.787 -5.568 252 HZ PHE 33 HZ PHE 33 3.507 2.808 -7.977 253 H HIS 34 HN HIS 34 3.505 -4.725 -5.862 254 HA HIS 34 HA HIS 34 2.311 -6.537 -4.112 255 HB2 HIS 34 2HB HIS 34 4.977 -6.531 -5.513 256 HB3 HIS 34 3HB HIS 34 4.479 -7.870 -4.483 257 HD2 HIS 34 2HD HIS 34 1.302 -7.871 -5.642 258 HE1 HIS 34 1HE HIS 34 3.254 -8.861 -9.277 259 HE2 HIS 34 2HE HIS 34 1.052 -8.764 -8.058 260 H THR 35 HN THR 35 2.744 -7.231 -2.068 261 HA THR 35 HA THR 35 4.002 -5.439 -0.281 262 HB THR 35 HB THR 35 3.429 -8.320 0.377 263 HG1 THR 35 1HG THR 35 1.512 -7.730 -0.481 264 HG21 THR 35 1HG2 THR 35 2.571 -6.803 2.459 265 HG22 THR 35 2HG2 THR 35 3.908 -5.823 1.858 266 HG23 THR 35 3HG2 THR 35 4.188 -7.496 2.337 267 H SER 36 HN SER 36 5.182 -8.076 -2.149 268 HA SER 36 HA SER 36 7.564 -8.418 -0.514 269 HB2 SER 36 2HB SER 36 7.418 -9.727 -3.164 270 HB3 SER 36 3HB SER 36 7.875 -10.396 -1.599 271 HG SER 36 HG SER 36 5.922 -11.293 -2.207 272 H CYS 37 HN CYS 37 6.582 -6.990 -3.561 273 HA CYS 37 HA CYS 37 9.229 -6.456 -4.494 274 HB2 CYS 37 2HB CYS 37 6.548 -5.312 -5.298 275 HB3 CYS 37 3HB CYS 37 8.060 -4.960 -6.128 276 H LEU 38 HN LEU 38 6.842 -4.691 -2.618 277 HA LEU 38 HA LEU 38 8.122 -2.167 -2.710 278 HB2 LEU 38 2HB LEU 38 6.087 -3.419 -0.909 279 HB3 LEU 38 3HB LEU 38 6.770 -1.841 -0.525 280 HG LEU 38 HG LEU 38 5.268 -2.516 -3.053 281 HD11 LEU 38 1HD1 LEU 38 4.431 -1.295 -0.453 282 HD12 LEU 38 2HD1 LEU 38 3.629 -2.536 -1.416 283 HD13 LEU 38 3HD1 LEU 38 3.620 -0.857 -1.957 284 HD21 LEU 38 1HD2 LEU 38 5.904 -0.546 -3.858 285 HD22 LEU 38 2HD2 LEU 38 7.081 -0.467 -2.546 286 HD23 LEU 38 3HD2 LEU 38 5.491 0.274 -2.352 287 H ARG 39 HN ARG 39 7.887 -4.428 0.043 288 HA ARG 39 HA ARG 39 9.751 -3.243 1.685 289 HB2 ARG 39 2HB ARG 39 9.184 -6.196 1.367 290 HB3 ARG 39 3HB ARG 39 10.033 -5.473 2.727 291 HG2 ARG 39 2HG ARG 39 7.871 -4.037 2.954 292 HG3 ARG 39 3HG ARG 39 7.144 -5.340 2.011 293 HD2 ARG 39 2HD ARG 39 7.247 -6.802 3.720 294 HD3 ARG 39 3HD ARG 39 8.826 -6.223 4.250 295 HE ARG 39 HE ARG 39 7.783 -4.778 5.704 296 HH11 ARG 39 1HH1 ARG 39 5.445 -6.132 3.509 297 HH12 ARG 39 2HH1 ARG 39 4.078 -5.521 4.383 298 HH21 ARG 39 1HH2 ARG 39 5.993 -3.969 6.862 299 HH22 ARG 39 2HH2 ARG 39 4.391 -4.290 6.289 300 H SER 40 HN SER 40 10.271 -5.303 -1.090 301 HA SER 40 HA SER 40 13.109 -5.575 -0.563 302 HB2 SER 40 2HB SER 40 11.889 -7.446 -1.583 303 HB3 SER 40 3HB SER 40 11.464 -6.428 -2.958 304 HG SER 40 HG SER 40 13.465 -7.917 -2.956 305 H TRP 41 HN TRP 41 10.975 -3.593 -2.459 306 HA TRP 41 HA TRP 41 12.976 -2.565 -4.223 307 HB2 TRP 41 2HB TRP 41 10.675 -2.500 -4.929 308 HB3 TRP 41 3HB TRP 41 10.212 -1.577 -3.502 309 HD1 TRP 41 1HD TRP 41 10.929 1.035 -3.449 310 HE1 TRP 41 1HE TRP 41 11.437 2.683 -5.360 311 HE3 TRP 41 3HE TRP 41 11.672 -2.319 -7.236 312 HZ2 TRP 41 2HZ TRP 41 12.069 2.575 -8.109 313 HZ3 TRP 41 3HZ TRP 41 12.224 -1.464 -9.477 314 HH2 TRP 41 2HH TRP 41 12.417 0.932 -9.902 315 H PHE 42 HN PHE 42 11.521 -1.476 -1.192 316 HA PHE 42 HA PHE 42 12.882 1.029 -1.146 317 HB2 PHE 42 2HB PHE 42 11.566 -0.528 1.089 318 HB3 PHE 42 3HB PHE 42 12.114 1.140 1.206 319 HD1 PHE 42 1HD PHE 42 9.275 -0.589 1.123 320 HD2 PHE 42 2HD PHE 42 11.228 2.404 -1.190 321 HE1 PHE 42 1HE PHE 42 7.094 0.178 0.281 322 HE2 PHE 42 2HE PHE 42 9.049 3.177 -2.034 323 HZ PHE 42 HZ PHE 42 6.979 2.065 -1.298 324 H GLN 43 HN GLN 43 13.859 -2.152 -0.544 325 HA GLN 43 HA GLN 43 15.794 -1.676 1.486 326 HB2 GLN 43 2HB GLN 43 15.112 -3.909 -0.347 327 HB3 GLN 43 3HB GLN 43 16.741 -3.896 0.317 328 HG2 GLN 43 2HG GLN 43 15.062 -3.383 2.483 329 HG3 GLN 43 3HG GLN 43 14.259 -4.650 1.556 330 HE21 GLN 43 1HE2 GLN 43 16.661 -5.803 0.515 331 HE22 GLN 43 2HE2 GLN 43 17.441 -6.622 1.820 332 H ARG 44 HN ARG 44 15.689 -0.958 -1.828 333 HA ARG 44 HA ARG 44 18.581 -0.406 -1.814 334 HB2 ARG 44 2HB ARG 44 16.932 -1.414 -4.139 335 HB3 ARG 44 3HB ARG 44 18.608 -0.892 -4.246 336 HG2 ARG 44 2HG ARG 44 17.880 -3.034 -2.309 337 HG3 ARG 44 3HG ARG 44 18.003 -3.423 -4.026 338 HD2 ARG 44 2HD ARG 44 20.283 -2.422 -4.021 339 HD3 ARG 44 3HD ARG 44 20.144 -2.225 -2.275 340 HE ARG 44 HE ARG 44 19.684 -4.916 -3.156 341 HH11 ARG 44 1HH1 ARG 44 22.110 -2.583 -2.270 342 HH12 ARG 44 2HH1 ARG 44 23.280 -3.777 -1.817 343 HH21 ARG 44 1HH2 ARG 44 21.216 -6.498 -2.563 344 HH22 ARG 44 2HH2 ARG 44 22.772 -6.005 -1.985 345 H GLN 45 HN GLN 45 15.363 0.568 -2.724 346 HA GLN 45 HA GLN 45 16.391 3.260 -3.289 347 HB2 GLN 45 2HB GLN 45 14.014 2.692 -4.836 348 HB3 GLN 45 3HB GLN 45 15.570 3.318 -5.368 349 HG2 GLN 45 2HG GLN 45 15.045 0.401 -4.874 350 HG3 GLN 45 3HG GLN 45 14.831 1.179 -6.441 351 HE21 GLN 45 1HE2 GLN 45 16.539 -0.889 -6.264 352 HE22 GLN 45 2HE2 GLN 45 18.174 -0.344 -6.386 353 H GLN 46 HN GLN 46 15.698 4.291 -1.503 354 HA GLN 46 HA GLN 46 13.189 3.725 -0.252 355 HB2 GLN 46 2HB GLN 46 15.325 4.619 0.852 356 HB3 GLN 46 3HB GLN 46 14.854 6.189 0.214 357 HG2 GLN 46 2HG GLN 46 12.567 5.238 1.460 358 HG3 GLN 46 3HG GLN 46 13.886 4.771 2.533 359 HE21 GLN 46 1HE2 GLN 46 15.063 6.337 3.579 360 HE22 GLN 46 2HE2 GLN 46 14.590 7.999 3.618 361 H THR 47 HN THR 47 12.233 4.098 -2.580 362 HA THR 47 HA THR 47 10.701 6.517 -2.411 363 HB THR 47 HB THR 47 11.630 6.607 -5.091 364 HG1 THR 47 1HG THR 47 13.761 6.806 -3.210 365 HG21 THR 47 1HG2 THR 47 12.449 8.564 -2.975 366 HG22 THR 47 2HG2 THR 47 10.752 8.406 -3.432 367 HG23 THR 47 3HG2 THR 47 11.953 8.862 -4.640 368 H CYS 48 HN CYS 48 8.939 6.574 -3.927 369 HA CYS 48 HA CYS 48 7.759 4.071 -4.380 370 HB2 CYS 48 2HB CYS 48 6.881 6.666 -4.397 371 HB3 CYS 48 3HB CYS 48 6.800 6.249 -6.107 372 HA PRO 49 HA PRO 49 9.655 2.760 -8.140 373 HB2 PRO 49 2HB PRO 49 7.801 0.923 -8.888 374 HB3 PRO 49 3HB PRO 49 8.948 0.649 -7.572 375 HG2 PRO 49 2HG PRO 49 6.082 1.500 -7.440 376 HG3 PRO 49 3HG PRO 49 6.945 0.318 -6.440 377 HD2 PRO 49 2HD PRO 49 6.439 2.842 -5.600 378 HD3 PRO 49 3HD PRO 49 7.889 1.945 -5.108 379 H THR 50 HN THR 50 7.005 4.700 -7.941 380 HA THR 50 HA THR 50 6.826 4.921 -10.869 381 HB THR 50 HB THR 50 4.797 3.785 -10.107 382 HG1 THR 50 1HG THR 50 4.360 6.510 -10.834 383 HG21 THR 50 1HG2 THR 50 4.152 6.250 -8.499 384 HG22 THR 50 2HG2 THR 50 4.880 4.810 -7.788 385 HG23 THR 50 3HG2 THR 50 3.286 4.715 -8.535 386 H CYS 51 HN CYS 51 5.945 6.535 -7.813 387 HA CYS 51 HA CYS 51 6.391 9.129 -9.106 388 HB2 CYS 51 2HB CYS 51 5.118 10.110 -7.355 389 HB3 CYS 51 3HB CYS 51 4.257 8.646 -7.819 390 H ARG 52 HN ARG 52 8.094 6.910 -7.371 391 HA ARG 52 HA ARG 52 9.819 7.009 -5.831 392 HB2 ARG 52 2HB ARG 52 10.828 9.235 -7.576 393 HB3 ARG 52 3HB ARG 52 11.730 7.924 -6.827 394 HG2 ARG 52 2HG ARG 52 9.672 7.256 -8.867 395 HG3 ARG 52 3HG ARG 52 11.216 7.927 -9.397 396 HD2 ARG 52 2HD ARG 52 11.355 5.743 -7.418 397 HD3 ARG 52 3HD ARG 52 10.772 5.297 -9.020 398 HE ARG 52 HE ARG 52 13.450 6.038 -8.295 399 HH11 ARG 52 1HH1 ARG 52 11.130 5.886 -10.887 400 HH12 ARG 52 2HH1 ARG 52 12.331 5.830 -12.135 401 HH21 ARG 52 1HH2 ARG 52 15.041 5.964 -9.928 402 HH22 ARG 52 2HH2 ARG 52 14.556 5.872 -11.588 403 H MET 53 HN MET 53 8.108 8.114 -4.350 404 HA MET 53 HA MET 53 9.290 10.643 -3.424 405 HB2 MET 53 2HB MET 53 7.156 11.126 -4.523 406 HB3 MET 53 3HB MET 53 6.347 9.956 -3.488 407 HG2 MET 53 2HG MET 53 7.818 11.961 -1.985 408 HG3 MET 53 3HG MET 53 6.576 12.654 -3.027 409 HE1 MET 53 1HE MET 53 3.963 12.207 -2.739 410 HE2 MET 53 2HE MET 53 4.370 10.550 -3.185 411 HE3 MET 53 3HE MET 53 3.343 10.859 -1.784 412 H ASP 54 HN ASP 54 10.162 10.347 -1.491 413 HA ASP 54 HA ASP 54 10.199 8.234 0.130 414 HB2 ASP 54 2HB ASP 54 11.507 10.075 0.794 415 HB3 ASP 54 3HB ASP 54 10.113 11.149 0.872 416 H VAL 55 HN VAL 55 8.740 6.970 1.054 417 HA VAL 55 HA VAL 55 6.139 8.137 1.809 418 HB VAL 55 HB VAL 55 5.344 5.700 1.667 419 HG11 VAL 55 1HG1 VAL 55 5.532 7.764 -0.238 420 HG12 VAL 55 2HG1 VAL 55 5.868 6.255 -1.090 421 HG13 VAL 55 3HG1 VAL 55 4.367 6.442 -0.183 422 HG21 VAL 55 1HG2 VAL 55 7.910 5.497 0.095 423 HG22 VAL 55 2HG2 VAL 55 7.504 4.616 1.567 424 HG23 VAL 55 3HG2 VAL 55 6.617 4.297 0.077 425 H LEU 56 HN LEU 56 8.647 5.825 2.745 426 HA LEU 56 HA LEU 56 8.914 4.641 4.718 427 HB2 LEU 56 2HB LEU 56 9.372 7.437 4.938 428 HB3 LEU 56 3HB LEU 56 8.717 6.866 6.472 429 HG LEU 56 HG LEU 56 10.545 5.104 6.430 430 HD11 LEU 56 1HD1 LEU 56 10.933 5.845 3.879 431 HD12 LEU 56 2HD1 LEU 56 12.183 5.108 4.879 432 HD13 LEU 56 3HD1 LEU 56 12.138 6.859 4.675 433 HD21 LEU 56 1HD2 LEU 56 12.008 6.493 7.571 434 HD22 LEU 56 2HD2 LEU 56 10.477 7.361 7.693 435 HD23 LEU 56 3HD2 LEU 56 11.689 7.868 6.514 Start of MODEL 19 1 H1 ALA 1 HN ALA 1 -4.351 -3.926 0.123 2 HA ALA 1 HA ALA 1 -6.005 -2.131 -0.540 3 HB1 ALA 1 1HB ALA 1 -5.119 -3.879 -2.828 4 HB2 ALA 1 2HB ALA 1 -5.452 -2.147 -2.862 5 HB3 ALA 1 3HB ALA 1 -4.057 -2.760 -1.973 6 H THR 2 HN THR 2 -7.932 -1.683 -1.658 7 HA THR 2 HA THR 2 -9.903 -3.793 -1.471 8 HB THR 2 HB THR 2 -11.256 -1.675 -2.541 9 HG1 THR 2 1HG THR 2 -10.005 -0.117 -0.796 10 HG21 THR 2 1HG2 THR 2 -11.874 -2.928 -0.531 11 HG22 THR 2 2HG2 THR 2 -11.962 -1.190 -0.244 12 HG23 THR 2 3HG2 THR 2 -10.596 -2.118 0.373 13 HA PRO 3 HA PRO 3 -10.231 -4.897 -5.706 14 HB2 PRO 3 2HB PRO 3 -12.914 -5.085 -6.072 15 HB3 PRO 3 3HB PRO 3 -11.989 -6.257 -5.126 16 HG2 PRO 3 2HG PRO 3 -13.639 -3.944 -4.185 17 HG3 PRO 3 3HG PRO 3 -13.546 -5.590 -3.533 18 HD2 PRO 3 2HD PRO 3 -12.234 -3.504 -2.413 19 HD3 PRO 3 3HD PRO 3 -11.595 -5.161 -2.384 20 H GLU 4 HN GLU 4 -12.719 -2.456 -4.927 21 HA GLU 4 HA GLU 4 -12.936 -1.424 -7.532 22 HB2 GLU 4 2HB GLU 4 -14.386 -1.080 -5.332 23 HB3 GLU 4 3HB GLU 4 -13.396 0.365 -5.193 24 HG2 GLU 4 2HG GLU 4 -14.434 0.058 -7.868 25 HG3 GLU 4 3HG GLU 4 -15.725 0.065 -6.667 26 H GLU 5 HN GLU 5 -10.814 -0.615 -4.850 27 HA GLU 5 HA GLU 5 -9.732 1.729 -6.095 28 HB2 GLU 5 2HB GLU 5 -8.773 0.074 -3.757 29 HB3 GLU 5 3HB GLU 5 -8.024 1.578 -4.273 30 HG2 GLU 5 2HG GLU 5 -10.928 1.434 -3.551 31 HG3 GLU 5 3HG GLU 5 -9.674 1.668 -2.333 32 H LEU 6 HN LEU 6 -8.863 -1.666 -5.923 33 HA LEU 6 HA LEU 6 -6.249 -1.428 -6.972 34 HB2 LEU 6 2HB LEU 6 -8.203 -3.621 -6.570 35 HB3 LEU 6 3HB LEU 6 -6.893 -3.906 -7.714 36 HG LEU 6 HG LEU 6 -6.453 -3.070 -4.851 37 HD11 LEU 6 1HD1 LEU 6 -7.594 -5.223 -4.903 38 HD12 LEU 6 2HD1 LEU 6 -5.912 -5.408 -4.406 39 HD13 LEU 6 3HD1 LEU 6 -6.399 -5.838 -6.045 40 HD21 LEU 6 1HD2 LEU 6 -4.346 -4.566 -6.091 41 HD22 LEU 6 2HD2 LEU 6 -4.307 -2.942 -5.402 42 HD23 LEU 6 3HD2 LEU 6 -4.760 -3.173 -7.090 43 H GLN 7 HN GLN 7 -9.285 -2.450 -8.546 44 HA GLN 7 HA GLN 7 -8.180 -2.473 -11.155 45 HB2 GLN 7 2HB GLN 7 -10.611 -3.217 -9.956 46 HB3 GLN 7 3HB GLN 7 -11.027 -2.014 -11.169 47 HG2 GLN 7 2HG GLN 7 -9.707 -3.353 -12.820 48 HG3 GLN 7 3HG GLN 7 -9.560 -4.604 -11.586 49 HE21 GLN 7 1HE2 GLN 7 -12.057 -4.523 -10.453 50 HE22 GLN 7 2HE2 GLN 7 -13.234 -5.031 -11.610 51 H ALA 8 HN ALA 8 -8.728 0.074 -9.160 52 HA ALA 8 HA ALA 8 -9.537 1.916 -11.293 53 HB1 ALA 8 1HB ALA 8 -9.275 2.372 -8.323 54 HB2 ALA 8 2HB ALA 8 -9.837 3.562 -9.499 55 HB3 ALA 8 3HB ALA 8 -10.775 2.096 -9.210 56 H MET 9 HN MET 9 -6.803 0.593 -10.759 57 HA MET 9 HA MET 9 -5.256 2.927 -11.445 58 HB2 MET 9 2HB MET 9 -3.657 2.779 -9.655 59 HB3 MET 9 3HB MET 9 -5.259 2.948 -8.952 60 HG2 MET 9 2HG MET 9 -5.050 1.051 -7.834 61 HG3 MET 9 3HG MET 9 -4.587 0.174 -9.291 62 HE1 MET 9 1HE MET 9 -1.132 -0.632 -8.991 63 HE2 MET 9 2HE MET 9 -2.647 -0.607 -9.893 64 HE3 MET 9 3HE MET 9 -1.475 0.694 -10.101 65 H ASP 10 HN ASP 10 -6.039 0.278 -12.538 66 HA ASP 10 HA ASP 10 -5.012 -1.089 -14.081 67 HB2 ASP 10 2HB ASP 10 -3.085 0.746 -13.816 68 HB3 ASP 10 3HB ASP 10 -2.271 -0.604 -13.031 69 H ASN 11 HN ASN 11 -4.346 -1.066 -10.709 70 HA ASN 11 HA ASN 11 -3.836 -2.695 -9.190 71 HB2 ASN 11 2HB ASN 11 -6.085 -3.391 -9.711 72 HB3 ASN 11 3HB ASN 11 -5.539 -4.236 -11.156 73 HD21 ASN 11 1HD2 ASN 11 -4.776 -6.273 -10.995 74 HD22 ASN 11 2HD2 ASN 11 -4.701 -7.165 -9.517 75 H VAL 12 HN VAL 12 -2.031 -2.374 -11.580 76 HA VAL 12 HA VAL 12 -0.811 -5.056 -11.573 77 HB VAL 12 HB VAL 12 -0.855 -2.877 -13.621 78 HG11 VAL 12 1HG1 VAL 12 1.514 -3.250 -13.246 79 HG12 VAL 12 2HG1 VAL 12 1.286 -4.993 -13.405 80 HG13 VAL 12 3HG1 VAL 12 1.027 -3.938 -14.794 81 HG21 VAL 12 1HG2 VAL 12 -2.428 -4.555 -14.043 82 HG22 VAL 12 2HG2 VAL 12 -1.067 -4.972 -15.085 83 HG23 VAL 12 3HG2 VAL 12 -1.318 -5.843 -13.572 84 H CYS 13 HN CYS 13 0.950 -5.286 -10.378 85 HA CYS 13 HA CYS 13 2.220 -3.168 -9.034 86 HB2 CYS 13 2HB CYS 13 2.306 -5.387 -8.111 87 HB3 CYS 13 3HB CYS 13 3.103 -6.011 -9.551 88 H ILE 14 HN ILE 14 3.458 -1.648 -9.893 89 HA ILE 14 HA ILE 14 4.600 -1.796 -12.470 90 HB ILE 14 HB ILE 14 4.006 0.293 -11.055 91 HG12 ILE 14 2HG1 ILE 14 4.874 0.483 -13.294 92 HG13 ILE 14 3HG1 ILE 14 5.739 1.628 -12.276 93 HG21 ILE 14 1HG2 ILE 14 5.881 1.285 -9.856 94 HG22 ILE 14 2HG2 ILE 14 5.432 -0.266 -9.148 95 HG23 ILE 14 3HG2 ILE 14 6.858 -0.147 -10.177 96 HD11 ILE 14 1HD1 ILE 14 6.706 -0.821 -13.627 97 HD12 ILE 14 2HD1 ILE 14 7.486 0.747 -13.417 98 HD13 ILE 14 3HD1 ILE 14 7.428 -0.396 -12.076 99 H ILE 15 HN ILE 15 6.037 -2.060 -9.230 100 HA ILE 15 HA ILE 15 8.676 -2.189 -9.661 101 HB ILE 15 HB ILE 15 7.146 -4.224 -8.037 102 HG12 ILE 15 2HG1 ILE 15 8.537 -1.867 -6.850 103 HG13 ILE 15 3HG1 ILE 15 6.998 -1.594 -7.660 104 HG21 ILE 15 1HG2 ILE 15 9.958 -3.917 -8.577 105 HG22 ILE 15 2HG2 ILE 15 9.622 -3.710 -6.859 106 HG23 ILE 15 3HG2 ILE 15 9.118 -5.185 -7.683 107 HD11 ILE 15 1HD1 ILE 15 7.554 -3.316 -5.268 108 HD12 ILE 15 2HD1 ILE 15 6.502 -1.905 -5.385 109 HD13 ILE 15 3HD1 ILE 15 6.051 -3.410 -6.186 110 H CYS 16 HN CYS 16 6.517 -4.980 -10.165 111 HA CYS 16 HA CYS 16 8.617 -6.200 -11.828 112 HB2 CYS 16 2HB CYS 16 7.479 -8.346 -11.412 113 HB3 CYS 16 3HB CYS 16 7.972 -7.569 -9.911 114 H ARG 17 HN ARG 17 5.898 -4.417 -12.122 115 HA ARG 17 HA ARG 17 4.255 -4.159 -13.695 116 HB2 ARG 17 2HB ARG 17 6.693 -4.936 -15.275 117 HB3 ARG 17 3HB ARG 17 5.180 -4.536 -16.075 118 HG2 ARG 17 2HG ARG 17 5.424 -2.412 -14.437 119 HG3 ARG 17 3HG ARG 17 7.123 -2.797 -14.718 120 HD2 ARG 17 2HD ARG 17 5.064 -2.410 -16.886 121 HD3 ARG 17 3HD ARG 17 6.194 -1.170 -16.343 122 HE ARG 17 HE ARG 17 7.577 -3.524 -17.098 123 HH11 ARG 17 1HH1 ARG 17 5.895 -0.777 -18.419 124 HH12 ARG 17 2HH1 ARG 17 6.783 -0.783 -19.906 125 HH21 ARG 17 1HH2 ARG 17 8.753 -3.543 -19.053 126 HH22 ARG 17 2HH2 ARG 17 8.408 -2.358 -20.266 127 H GLU 18 HN GLU 18 3.380 -6.225 -12.548 128 HA GLU 18 HA GLU 18 2.858 -8.216 -14.652 129 HB2 GLU 18 2HB GLU 18 3.490 -8.670 -11.746 130 HB3 GLU 18 3HB GLU 18 2.601 -9.861 -12.685 131 HG2 GLU 18 2HG GLU 18 5.382 -8.851 -13.231 132 HG3 GLU 18 3HG GLU 18 4.932 -10.443 -12.624 133 H GLU 19 HN GLU 19 1.524 -8.456 -11.456 134 HA GLU 19 HA GLU 19 -0.881 -7.008 -11.996 135 HB2 GLU 19 2HB GLU 19 -0.804 -9.528 -13.121 136 HB3 GLU 19 3HB GLU 19 -1.630 -9.805 -11.595 137 HG2 GLU 19 2HG GLU 19 -3.155 -7.893 -12.218 138 HG3 GLU 19 3HG GLU 19 -2.435 -7.965 -13.825 139 H MET 20 HN MET 20 -2.310 -6.951 -10.197 140 HA MET 20 HA MET 20 -1.243 -8.163 -7.737 141 HB2 MET 20 2HB MET 20 -2.199 -5.327 -8.136 142 HB3 MET 20 3HB MET 20 -1.966 -6.056 -6.553 143 HG2 MET 20 2HG MET 20 0.391 -6.385 -7.027 144 HG3 MET 20 3HG MET 20 0.172 -5.713 -8.641 145 HE1 MET 20 1HE MET 20 -1.379 -3.622 -8.768 146 HE2 MET 20 2HE MET 20 -1.188 -2.197 -7.746 147 HE3 MET 20 3HE MET 20 0.075 -2.631 -8.899 148 H VAL 21 HN VAL 21 -3.107 -9.576 -8.868 149 HA VAL 21 HA VAL 21 -5.732 -9.161 -8.882 150 HB VAL 21 HB VAL 21 -5.840 -11.462 -7.487 151 HG11 VAL 21 1HG1 VAL 21 -6.631 -11.518 -9.653 152 HG12 VAL 21 2HG1 VAL 21 -5.134 -10.879 -10.330 153 HG13 VAL 21 3HG1 VAL 21 -5.205 -12.549 -9.769 154 HG21 VAL 21 1HG2 VAL 21 -3.409 -11.242 -6.924 155 HG22 VAL 21 2HG2 VAL 21 -3.845 -12.749 -7.729 156 HG23 VAL 21 3HG2 VAL 21 -3.055 -11.461 -8.638 157 H THR 22 HN THR 22 -3.795 -9.347 -5.946 158 HA THR 22 HA THR 22 -5.480 -7.691 -4.450 159 HB THR 22 HB THR 22 -6.963 -9.749 -4.608 160 HG1 THR 22 1HG THR 22 -7.599 -8.524 -2.967 161 HG21 THR 22 1HG2 THR 22 -5.512 -11.022 -2.395 162 HG22 THR 22 2HG2 THR 22 -4.699 -11.124 -3.958 163 HG23 THR 22 3HG2 THR 22 -6.340 -11.745 -3.774 164 H GLY 23 HN GLY 23 -3.057 -10.197 -4.557 165 HA2 GLY 23 1HA GLY 23 -2.066 -9.816 -1.908 166 HA3 GLY 23 2HA GLY 23 -1.239 -10.648 -3.216 167 H ALA 24 HN ALA 24 -2.186 -7.330 -2.315 168 HA ALA 24 HA ALA 24 0.559 -6.454 -2.643 169 HB1 ALA 24 1HB ALA 24 -0.445 -6.333 -4.924 170 HB2 ALA 24 2HB ALA 24 -1.596 -5.152 -4.297 171 HB3 ALA 24 3HB ALA 24 0.130 -4.787 -4.299 172 H LYS 25 HN LYS 25 0.856 -4.189 -1.962 173 HA LYS 25 HA LYS 25 -1.138 -3.452 0.074 174 HB2 LYS 25 2HB LYS 25 1.821 -2.841 -0.052 175 HB3 LYS 25 3HB LYS 25 0.729 -2.269 1.203 176 HG2 LYS 25 2HG LYS 25 1.402 -5.144 0.613 177 HG3 LYS 25 3HG LYS 25 2.000 -4.185 1.968 178 HD2 LYS 25 2HD LYS 25 -0.823 -3.987 1.975 179 HD3 LYS 25 3HD LYS 25 -0.416 -5.693 1.764 180 HE2 LYS 25 2HE LYS 25 1.310 -5.113 3.702 181 HE3 LYS 25 3HE LYS 25 0.107 -3.874 4.053 182 HZ1 LYS 25 1HZ LYS 25 -1.446 -5.411 4.634 183 HZ2 LYS 25 2HZ LYS 25 -0.056 -6.265 5.082 184 HZ3 LYS 25 3HZ LYS 25 -0.827 -6.613 3.616 185 H ARG 26 HN ARG 26 -1.225 -1.076 0.565 186 HA ARG 26 HA ARG 26 -1.116 0.450 -1.951 187 HB2 ARG 26 2HB ARG 26 -3.391 0.086 -1.072 188 HB3 ARG 26 3HB ARG 26 -2.926 0.862 0.435 189 HG2 ARG 26 2HG ARG 26 -2.757 2.969 -0.568 190 HG3 ARG 26 3HG ARG 26 -2.720 2.286 -2.194 191 HD2 ARG 26 2HD ARG 26 -4.882 3.285 -1.768 192 HD3 ARG 26 3HD ARG 26 -5.046 1.535 -1.907 193 HE ARG 26 HE ARG 26 -5.792 1.486 0.249 194 HH11 ARG 26 1HH1 ARG 26 -4.107 4.486 -0.283 195 HH12 ARG 26 2HH1 ARG 26 -4.521 5.143 1.266 196 HH21 ARG 26 1HH2 ARG 26 -6.341 2.340 2.291 197 HH22 ARG 26 2HH2 ARG 26 -5.791 3.921 2.730 198 H LEU 27 HN LEU 27 -0.299 2.535 -1.952 199 HA LEU 27 HA LEU 27 1.373 3.193 0.366 200 HB2 LEU 27 2HB LEU 27 1.478 4.060 -2.513 201 HB3 LEU 27 3HB LEU 27 2.488 4.766 -1.253 202 HG LEU 27 HG LEU 27 2.531 1.885 -2.154 203 HD11 LEU 27 1HD1 LEU 27 3.474 3.564 -3.747 204 HD12 LEU 27 2HD1 LEU 27 4.638 2.382 -3.149 205 HD13 LEU 27 3HD1 LEU 27 4.629 4.019 -2.493 206 HD21 LEU 27 1HD2 LEU 27 3.225 1.658 0.001 207 HD22 LEU 27 2HD2 LEU 27 3.771 3.331 0.121 208 HD23 LEU 27 3HD2 LEU 27 4.756 2.140 -0.731 209 HA PRO 28 HA PRO 28 -1.011 6.713 1.465 210 HB2 PRO 28 2HB PRO 28 0.922 8.396 2.360 211 HB3 PRO 28 3HB PRO 28 0.405 6.963 3.257 212 HG2 PRO 28 2HG PRO 28 2.791 7.331 1.488 213 HG3 PRO 28 3HG PRO 28 2.679 6.519 3.060 214 HD2 PRO 28 2HD PRO 28 2.708 5.161 0.718 215 HD3 PRO 28 3HD PRO 28 1.817 4.588 2.142 216 H CYS 29 HN CYS 29 0.890 6.655 -1.219 217 HA CYS 29 HA CYS 29 0.362 9.474 -1.886 218 HB2 CYS 29 2HB CYS 29 2.060 9.014 -3.752 219 HB3 CYS 29 3HB CYS 29 2.680 9.123 -2.107 220 H ASN 30 HN ASN 30 -1.037 6.592 -2.224 221 HA ASN 30 HA ASN 30 -2.830 5.994 -3.537 222 HB2 ASN 30 2HB ASN 30 -2.794 8.565 -4.130 223 HB3 ASN 30 3HB ASN 30 -2.133 7.987 -5.657 224 HD21 ASN 30 1HD2 ASN 30 -3.974 8.718 -6.747 225 HD22 ASN 30 2HD2 ASN 30 -5.472 7.861 -6.670 226 H HIS 31 HN HIS 31 -0.559 4.574 -3.596 227 HA HIS 31 HA HIS 31 -0.521 3.586 -6.333 228 HB2 HIS 31 2HB HIS 31 2.006 4.356 -4.859 229 HB3 HIS 31 3HB HIS 31 1.949 3.484 -6.388 230 HD2 HIS 31 2HD HIS 31 -0.130 5.388 -8.020 231 HE1 HIS 31 1HE HIS 31 2.569 8.511 -7.041 232 HE2 HIS 31 2HE HIS 31 0.626 7.818 -8.485 233 H ILE 32 HN ILE 32 -0.989 1.504 -6.160 234 HA ILE 32 HA ILE 32 -0.277 0.056 -3.725 235 HB ILE 32 HB ILE 32 -2.130 -0.579 -6.009 236 HG12 ILE 32 2HG1 ILE 32 -3.057 -0.833 -3.243 237 HG13 ILE 32 3HG1 ILE 32 -2.505 0.789 -3.643 238 HG21 ILE 32 1HG2 ILE 32 -0.705 -2.427 -4.311 239 HG22 ILE 32 2HG2 ILE 32 -2.448 -2.565 -4.087 240 HG23 ILE 32 3HG2 ILE 32 -1.749 -2.747 -5.696 241 HD11 ILE 32 1HD1 ILE 32 -4.969 -0.466 -4.278 242 HD12 ILE 32 2HD1 ILE 32 -4.445 1.184 -4.617 243 HD13 ILE 32 3HD1 ILE 32 -4.119 -0.102 -5.779 244 H PHE 33 HN PHE 33 1.170 -1.573 -3.639 245 HA PHE 33 HA PHE 33 2.208 -2.741 -6.094 246 HB2 PHE 33 2HB PHE 33 4.016 -1.375 -4.088 247 HB3 PHE 33 3HB PHE 33 4.546 -2.294 -5.491 248 HD1 PHE 33 1HD PHE 33 3.549 -1.459 -7.785 249 HD2 PHE 33 2HD PHE 33 3.871 0.907 -4.262 250 HE1 PHE 33 1HE PHE 33 3.466 0.584 -9.154 251 HE2 PHE 33 2HE PHE 33 3.788 2.955 -5.625 252 HZ PHE 33 HZ PHE 33 3.585 2.795 -8.074 253 H HIS 34 HN HIS 34 3.209 -4.748 -5.802 254 HA HIS 34 HA HIS 34 2.215 -6.466 -3.946 255 HB2 HIS 34 2HB HIS 34 4.845 -6.512 -5.415 256 HB3 HIS 34 3HB HIS 34 4.355 -7.834 -4.359 257 HD2 HIS 34 2HD HIS 34 1.162 -7.859 -5.412 258 HE1 HIS 34 1HE HIS 34 2.981 -8.812 -9.125 259 HE2 HIS 34 2HE HIS 34 0.827 -8.741 -7.821 260 H THR 35 HN THR 35 2.728 -7.191 -1.921 261 HA THR 35 HA THR 35 4.077 -5.386 -0.190 262 HB THR 35 HB THR 35 3.610 -8.146 0.774 263 HG1 THR 35 1HG THR 35 1.755 -8.126 -0.336 264 HG21 THR 35 1HG2 THR 35 3.832 -6.925 2.639 265 HG22 THR 35 2HG2 THR 35 2.196 -6.346 2.319 266 HG23 THR 35 3HG2 THR 35 3.585 -5.410 1.770 267 H SER 36 HN SER 36 5.066 -8.164 -1.988 268 HA SER 36 HA SER 36 7.473 -8.570 -0.415 269 HB2 SER 36 2HB SER 36 7.955 -10.350 -2.101 270 HB3 SER 36 3HB SER 36 6.396 -10.552 -1.301 271 HG SER 36 HG SER 36 6.969 -9.812 -3.939 272 H CYS 37 HN CYS 37 6.476 -7.045 -3.387 273 HA CYS 37 HA CYS 37 9.119 -6.704 -4.436 274 HB2 CYS 37 2HB CYS 37 6.483 -5.403 -5.139 275 HB3 CYS 37 3HB CYS 37 7.981 -5.118 -6.018 276 H LEU 38 HN LEU 38 6.847 -4.687 -2.629 277 HA LEU 38 HA LEU 38 8.350 -2.306 -2.715 278 HB2 LEU 38 2HB LEU 38 6.229 -3.354 -0.876 279 HB3 LEU 38 3HB LEU 38 7.023 -1.813 -0.560 280 HG LEU 38 HG LEU 38 5.433 -2.494 -3.033 281 HD11 LEU 38 1HD1 LEU 38 3.784 -0.937 -2.145 282 HD12 LEU 38 2HD1 LEU 38 4.755 -0.722 -0.689 283 HD13 LEU 38 3HD1 LEU 38 4.032 -2.292 -1.044 284 HD21 LEU 38 1HD2 LEU 38 6.999 -0.913 -3.720 285 HD22 LEU 38 2HD2 LEU 38 6.971 -0.069 -2.171 286 HD23 LEU 38 3HD2 LEU 38 5.599 0.062 -3.272 287 H ARG 39 HN ARG 39 7.940 -4.538 0.042 288 HA ARG 39 HA ARG 39 9.837 -3.500 1.725 289 HB2 ARG 39 2HB ARG 39 9.088 -6.395 1.293 290 HB3 ARG 39 3HB ARG 39 10.060 -5.826 2.642 291 HG2 ARG 39 2HG ARG 39 8.020 -4.222 3.026 292 HG3 ARG 39 3HG ARG 39 7.159 -5.458 2.105 293 HD2 ARG 39 2HD ARG 39 6.928 -6.534 4.047 294 HD3 ARG 39 3HD ARG 39 8.640 -6.928 3.900 295 HE ARG 39 HE ARG 39 9.017 -5.586 5.695 296 HH11 ARG 39 1HH1 ARG 39 6.072 -4.549 4.154 297 HH12 ARG 39 2HH1 ARG 39 5.729 -3.328 5.335 298 HH21 ARG 39 1HH2 ARG 39 8.576 -3.983 7.257 299 HH22 ARG 39 2HH2 ARG 39 7.155 -3.007 7.099 300 H SER 40 HN SER 40 10.326 -5.315 -1.188 301 HA SER 40 HA SER 40 13.160 -5.715 -0.609 302 HB2 SER 40 2HB SER 40 12.014 -7.602 -1.609 303 HB3 SER 40 3HB SER 40 11.443 -6.597 -2.941 304 HG SER 40 HG SER 40 13.213 -7.216 -3.885 305 H TRP 41 HN TRP 41 11.079 -3.563 -2.269 306 HA TRP 41 HA TRP 41 13.084 -2.599 -4.115 307 HB2 TRP 41 2HB TRP 41 10.737 -2.562 -4.781 308 HB3 TRP 41 3HB TRP 41 10.342 -1.527 -3.412 309 HD1 TRP 41 1HD TRP 41 11.124 1.050 -3.559 310 HE1 TRP 41 1HE TRP 41 11.685 2.542 -5.579 311 HE3 TRP 41 3HE TRP 41 11.764 -2.585 -7.095 312 HZ2 TRP 41 2HZ TRP 41 12.315 2.220 -8.312 313 HZ3 TRP 41 3HZ TRP 41 12.343 -1.909 -9.389 314 HH2 TRP 41 2HH TRP 41 12.612 0.444 -9.983 315 H PHE 42 HN PHE 42 11.462 -1.382 -1.196 316 HA PHE 42 HA PHE 42 12.876 1.065 -1.093 317 HB2 PHE 42 2HB PHE 42 11.511 -0.475 1.125 318 HB3 PHE 42 3HB PHE 42 12.047 1.199 1.234 319 HD1 PHE 42 1HD PHE 42 9.217 -0.516 1.145 320 HD2 PHE 42 2HD PHE 42 11.212 2.397 -1.231 321 HE1 PHE 42 1HE PHE 42 7.051 0.230 0.246 322 HE2 PHE 42 2HE PHE 42 9.050 3.149 -2.133 323 HZ PHE 42 HZ PHE 42 6.966 2.066 -1.394 324 H GLN 43 HN GLN 43 13.759 -2.140 -0.318 325 HA GLN 43 HA GLN 43 15.664 -1.648 1.712 326 HB2 GLN 43 2HB GLN 43 15.189 -3.890 -0.220 327 HB3 GLN 43 3HB GLN 43 16.641 -3.877 0.771 328 HG2 GLN 43 2HG GLN 43 14.150 -3.398 2.239 329 HG3 GLN 43 3HG GLN 43 14.281 -4.989 1.492 330 HE21 GLN 43 1HE2 GLN 43 14.305 -5.808 3.663 331 HE22 GLN 43 2HE2 GLN 43 15.776 -5.807 4.569 332 H ARG 44 HN ARG 44 15.643 -0.762 -1.512 333 HA ARG 44 HA ARG 44 18.535 -0.263 -1.437 334 HB2 ARG 44 2HB ARG 44 17.071 -1.166 -3.920 335 HB3 ARG 44 3HB ARG 44 18.800 -0.896 -3.744 336 HG2 ARG 44 2HG ARG 44 18.833 -2.757 -2.072 337 HG3 ARG 44 3HG ARG 44 17.155 -3.086 -2.506 338 HD2 ARG 44 2HD ARG 44 17.722 -4.055 -4.451 339 HD3 ARG 44 3HD ARG 44 18.967 -2.854 -4.794 340 HE ARG 44 HE ARG 44 19.960 -4.425 -2.754 341 HH11 ARG 44 1HH1 ARG 44 18.889 -4.890 -6.034 342 HH12 ARG 44 2HH1 ARG 44 19.950 -6.228 -6.328 343 HH21 ARG 44 1HH2 ARG 44 21.361 -6.185 -3.129 344 HH22 ARG 44 2HH2 ARG 44 21.355 -6.964 -4.675 345 H GLN 45 HN GLN 45 15.361 0.596 -2.657 346 HA GLN 45 HA GLN 45 16.360 3.319 -3.148 347 HB2 GLN 45 2HB GLN 45 14.708 1.577 -4.928 348 HB3 GLN 45 3HB GLN 45 14.446 3.315 -4.954 349 HG2 GLN 45 2HG GLN 45 15.968 2.781 -6.694 350 HG3 GLN 45 3HG GLN 45 16.872 3.605 -5.425 351 HE21 GLN 45 1HE2 GLN 45 18.791 2.763 -5.115 352 HE22 GLN 45 2HE2 GLN 45 19.210 1.093 -5.241 353 H GLN 46 HN GLN 46 15.525 4.406 -1.468 354 HA GLN 46 HA GLN 46 12.938 3.795 -0.376 355 HB2 GLN 46 2HB GLN 46 15.119 4.825 0.746 356 HB3 GLN 46 3HB GLN 46 14.341 6.336 0.293 357 HG2 GLN 46 2HG GLN 46 12.878 6.192 1.954 358 HG3 GLN 46 3HG GLN 46 12.496 4.512 1.577 359 HE21 GLN 46 1HE2 GLN 46 15.314 6.297 2.800 360 HE22 GLN 46 2HE2 GLN 46 15.615 5.243 4.134 361 H THR 47 HN THR 47 12.573 4.341 -3.019 362 HA THR 47 HA THR 47 10.940 6.759 -2.885 363 HB THR 47 HB THR 47 11.863 6.926 -5.464 364 HG1 THR 47 1HG THR 47 14.248 6.748 -4.013 365 HG21 THR 47 1HG2 THR 47 12.799 8.979 -4.817 366 HG22 THR 47 2HG2 THR 47 13.205 8.387 -3.206 367 HG23 THR 47 3HG2 THR 47 11.523 8.692 -3.636 368 H CYS 48 HN CYS 48 8.965 6.364 -3.635 369 HA CYS 48 HA CYS 48 7.871 4.043 -4.359 370 HB2 CYS 48 2HB CYS 48 6.950 6.582 -4.338 371 HB3 CYS 48 3HB CYS 48 6.951 6.278 -6.072 372 HA PRO 49 HA PRO 49 9.754 2.684 -8.114 373 HB2 PRO 49 2HB PRO 49 7.938 0.777 -8.772 374 HB3 PRO 49 3HB PRO 49 9.121 0.570 -7.476 375 HG2 PRO 49 2HG PRO 49 6.235 1.345 -7.300 376 HG3 PRO 49 3HG PRO 49 7.153 0.214 -6.289 377 HD2 PRO 49 2HD PRO 49 6.594 2.743 -5.504 378 HD3 PRO 49 3HD PRO 49 8.080 1.901 -5.023 379 H THR 50 HN THR 50 7.065 4.564 -7.906 380 HA THR 50 HA THR 50 6.787 4.670 -10.835 381 HB THR 50 HB THR 50 4.800 3.560 -9.839 382 HG1 THR 50 1HG THR 50 3.285 5.242 -10.756 383 HG21 THR 50 1HG2 THR 50 4.224 6.231 -8.563 384 HG22 THR 50 2HG2 THR 50 4.890 4.854 -7.685 385 HG23 THR 50 3HG2 THR 50 3.290 4.742 -8.417 386 H CYS 51 HN CYS 51 6.070 6.412 -7.810 387 HA CYS 51 HA CYS 51 6.487 8.945 -9.238 388 HB2 CYS 51 2HB CYS 51 5.246 10.020 -7.503 389 HB3 CYS 51 3HB CYS 51 4.347 8.575 -7.954 390 H ARG 52 HN ARG 52 8.182 6.796 -7.419 391 HA ARG 52 HA ARG 52 9.908 6.951 -5.883 392 HB2 ARG 52 2HB ARG 52 10.537 8.587 -8.293 393 HB3 ARG 52 3HB ARG 52 11.661 8.648 -6.941 394 HG2 ARG 52 2HG ARG 52 12.598 6.903 -8.001 395 HG3 ARG 52 3HG ARG 52 11.348 5.989 -7.154 396 HD2 ARG 52 2HD ARG 52 10.019 5.810 -9.052 397 HD3 ARG 52 3HD ARG 52 10.802 7.176 -9.847 398 HE ARG 52 HE ARG 52 12.800 5.379 -9.657 399 HH11 ARG 52 1HH1 ARG 52 9.531 5.161 -10.837 400 HH12 ARG 52 2HH1 ARG 52 9.897 3.936 -12.006 401 HH21 ARG 52 1HH2 ARG 52 13.293 3.766 -11.192 402 HH22 ARG 52 2HH2 ARG 52 12.037 3.142 -12.207 403 H MET 53 HN MET 53 7.781 8.550 -4.996 404 HA MET 53 HA MET 53 8.983 11.072 -4.147 405 HB2 MET 53 2HB MET 53 6.704 11.205 -4.943 406 HB3 MET 53 3HB MET 53 6.195 9.956 -3.814 407 HG2 MET 53 2HG MET 53 6.410 11.373 -1.969 408 HG3 MET 53 3HG MET 53 7.379 12.538 -2.868 409 HE1 MET 53 1HE MET 53 4.239 10.666 -2.602 410 HE2 MET 53 2HE MET 53 3.296 11.997 -1.933 411 HE3 MET 53 3HE MET 53 3.065 11.509 -3.612 412 H ASP 54 HN ASP 54 9.298 8.060 -3.140 413 HA ASP 54 HA ASP 54 9.929 7.074 -1.190 414 HB2 ASP 54 2HB ASP 54 11.289 9.198 -1.011 415 HB3 ASP 54 3HB ASP 54 10.002 9.850 -0.002 416 H VAL 55 HN VAL 55 8.973 6.192 0.620 417 HA VAL 55 HA VAL 55 6.483 7.435 1.567 418 HB VAL 55 HB VAL 55 5.603 5.003 1.745 419 HG11 VAL 55 1HG1 VAL 55 4.538 5.187 -0.400 420 HG12 VAL 55 2HG1 VAL 55 4.710 6.805 0.282 421 HG13 VAL 55 3HG1 VAL 55 5.807 6.261 -0.987 422 HG21 VAL 55 1HG2 VAL 55 6.432 3.619 -0.208 423 HG22 VAL 55 2HG2 VAL 55 7.813 4.714 -0.278 424 HG23 VAL 55 3HG2 VAL 55 7.524 3.750 1.171 425 H LEU 56 HN LEU 56 8.949 4.948 2.129 426 HA LEU 56 HA LEU 56 8.297 4.379 4.796 427 HB2 LEU 56 2HB LEU 56 10.129 3.462 2.984 428 HB3 LEU 56 3HB LEU 56 11.151 4.284 4.160 429 HG LEU 56 HG LEU 56 9.123 2.314 5.117 430 HD11 LEU 56 1HD1 LEU 56 10.649 0.483 4.810 431 HD12 LEU 56 2HD1 LEU 56 11.844 1.549 4.074 432 HD13 LEU 56 3HD1 LEU 56 10.323 1.226 3.245 433 HD21 LEU 56 1HD2 LEU 56 11.888 2.541 6.161 434 HD22 LEU 56 2HD2 LEU 56 10.368 2.280 7.017 435 HD23 LEU 56 3HD2 LEU 56 10.796 3.895 6.452 Start of MODEL 20 1 H1 ALA 1 HN ALA 1 -4.274 -4.338 -0.028 2 HA ALA 1 HA ALA 1 -5.982 -2.563 -0.649 3 HB1 ALA 1 1HB ALA 1 -4.863 -4.216 -2.910 4 HB2 ALA 1 2HB ALA 1 -5.424 -2.547 -3.015 5 HB3 ALA 1 3HB ALA 1 -4.004 -2.939 -2.047 6 H THR 2 HN THR 2 -7.919 -2.142 -1.712 7 HA THR 2 HA THR 2 -9.780 -4.358 -1.744 8 HB THR 2 HB THR 2 -11.373 -2.828 -1.375 9 HG1 THR 2 1HG THR 2 -11.883 -1.395 -2.894 10 HG21 THR 2 1HG2 THR 2 -9.357 -1.936 -0.090 11 HG22 THR 2 2HG2 THR 2 -10.689 -0.813 -0.360 12 HG23 THR 2 3HG2 THR 2 -9.235 -0.712 -1.353 13 HA PRO 3 HA PRO 3 -9.981 -5.099 -6.065 14 HB2 PRO 3 2HB PRO 3 -12.643 -5.436 -6.483 15 HB3 PRO 3 3HB PRO 3 -11.645 -6.623 -5.634 16 HG2 PRO 3 2HG PRO 3 -13.459 -4.523 -4.511 17 HG3 PRO 3 3HG PRO 3 -13.257 -6.212 -4.009 18 HD2 PRO 3 2HD PRO 3 -12.101 -4.151 -2.688 19 HD3 PRO 3 3HD PRO 3 -11.350 -5.755 -2.799 20 H GLU 4 HN GLU 4 -11.972 -2.517 -4.781 21 HA GLU 4 HA GLU 4 -12.562 -1.388 -7.366 22 HB2 GLU 4 2HB GLU 4 -13.650 -1.144 -4.821 23 HB3 GLU 4 3HB GLU 4 -12.889 0.415 -5.103 24 HG2 GLU 4 2HG GLU 4 -14.778 0.961 -6.139 25 HG3 GLU 4 3HG GLU 4 -14.186 -0.034 -7.468 26 H GLU 5 HN GLU 5 -10.462 -0.554 -4.626 27 HA GLU 5 HA GLU 5 -9.356 1.756 -5.859 28 HB2 GLU 5 2HB GLU 5 -8.189 0.073 -3.636 29 HB3 GLU 5 3HB GLU 5 -7.733 1.721 -4.044 30 HG2 GLU 5 2HG GLU 5 -10.563 1.120 -3.338 31 HG3 GLU 5 3HG GLU 5 -9.354 1.245 -2.062 32 H LEU 6 HN LEU 6 -8.580 -1.639 -5.917 33 HA LEU 6 HA LEU 6 -5.942 -1.354 -6.965 34 HB2 LEU 6 2HB LEU 6 -7.848 -3.563 -6.494 35 HB3 LEU 6 3HB LEU 6 -6.628 -3.832 -7.737 36 HG LEU 6 HG LEU 6 -5.925 -2.996 -4.934 37 HD11 LEU 6 1HD1 LEU 6 -6.219 -5.776 -6.058 38 HD12 LEU 6 2HD1 LEU 6 -7.125 -5.063 -4.723 39 HD13 LEU 6 3HD1 LEU 6 -5.401 -5.387 -4.545 40 HD21 LEU 6 1HD2 LEU 6 -4.321 -2.746 -6.913 41 HD22 LEU 6 2HD2 LEU 6 -4.253 -4.509 -6.916 42 HD23 LEU 6 3HD2 LEU 6 -3.737 -3.608 -5.490 43 H GLN 7 HN GLN 7 -8.927 -2.569 -8.505 44 HA GLN 7 HA GLN 7 -7.895 -2.435 -11.129 45 HB2 GLN 7 2HB GLN 7 -10.220 -3.394 -9.912 46 HB3 GLN 7 3HB GLN 7 -10.777 -2.158 -11.032 47 HG2 GLN 7 2HG GLN 7 -9.084 -4.554 -11.700 48 HG3 GLN 7 3HG GLN 7 -10.784 -4.316 -12.102 49 HE21 GLN 7 1HE2 GLN 7 -7.875 -4.372 -13.432 50 HE22 GLN 7 2HE2 GLN 7 -8.065 -3.207 -14.694 51 H ALA 8 HN ALA 8 -8.760 0.013 -9.039 52 HA ALA 8 HA ALA 8 -9.677 1.841 -11.120 53 HB1 ALA 8 1HB ALA 8 -9.852 3.452 -9.170 54 HB2 ALA 8 2HB ALA 8 -10.920 2.047 -9.128 55 HB3 ALA 8 3HB ALA 8 -9.465 2.080 -8.132 56 H MET 9 HN MET 9 -6.838 0.708 -10.692 57 HA MET 9 HA MET 9 -5.483 3.146 -11.406 58 HB2 MET 9 2HB MET 9 -3.849 3.150 -9.651 59 HB3 MET 9 3HB MET 9 -5.442 3.171 -8.907 60 HG2 MET 9 2HG MET 9 -5.018 1.311 -7.790 61 HG3 MET 9 3HG MET 9 -4.539 0.469 -9.260 62 HE1 MET 9 1HE MET 9 -1.093 -0.214 -8.940 63 HE2 MET 9 2HE MET 9 -2.623 -0.284 -9.815 64 HE3 MET 9 3HE MET 9 -1.479 1.017 -10.144 65 H ASP 10 HN ASP 10 -6.072 0.540 -12.577 66 HA ASP 10 HA ASP 10 -4.954 -0.740 -14.132 67 HB2 ASP 10 2HB ASP 10 -3.123 1.161 -13.802 68 HB3 ASP 10 3HB ASP 10 -2.268 -0.143 -12.983 69 H ASN 11 HN ASN 11 -4.457 -0.818 -10.750 70 HA ASN 11 HA ASN 11 -3.795 -2.464 -9.287 71 HB2 ASN 11 2HB ASN 11 -5.349 -4.163 -9.238 72 HB3 ASN 11 3HB ASN 11 -6.156 -3.043 -10.332 73 HD21 ASN 11 1HD2 ASN 11 -4.869 -6.147 -9.929 74 HD22 ASN 11 2HD2 ASN 11 -5.086 -6.711 -11.547 75 H VAL 12 HN VAL 12 -1.898 -2.055 -11.408 76 HA VAL 12 HA VAL 12 -0.800 -4.781 -11.646 77 HB VAL 12 HB VAL 12 -0.829 -2.525 -13.606 78 HG11 VAL 12 1HG1 VAL 12 0.999 -3.740 -14.851 79 HG12 VAL 12 2HG1 VAL 12 1.509 -2.851 -13.415 80 HG13 VAL 12 3HG1 VAL 12 1.330 -4.604 -13.350 81 HG21 VAL 12 1HG2 VAL 12 -0.854 -4.935 -14.936 82 HG22 VAL 12 2HG2 VAL 12 -1.733 -5.289 -13.448 83 HG23 VAL 12 3HG2 VAL 12 -2.272 -3.980 -14.500 84 H CYS 13 HN CYS 13 1.010 -5.106 -10.547 85 HA CYS 13 HA CYS 13 2.329 -3.065 -9.114 86 HB2 CYS 13 2HB CYS 13 2.358 -5.352 -8.316 87 HB3 CYS 13 3HB CYS 13 3.194 -5.887 -9.770 88 H ILE 14 HN ILE 14 3.597 -1.541 -9.924 89 HA ILE 14 HA ILE 14 4.688 -1.603 -12.525 90 HB ILE 14 HB ILE 14 4.180 0.426 -10.963 91 HG12 ILE 14 2HG1 ILE 14 4.891 0.751 -13.227 92 HG13 ILE 14 3HG1 ILE 14 5.901 1.779 -12.215 93 HG21 ILE 14 1HG2 ILE 14 6.168 1.330 -9.858 94 HG22 ILE 14 2HG2 ILE 14 5.697 -0.225 -9.173 95 HG23 ILE 14 3HG2 ILE 14 7.065 -0.129 -10.282 96 HD11 ILE 14 1HD1 ILE 14 6.625 -0.767 -13.611 97 HD12 ILE 14 2HD1 ILE 14 7.372 0.825 -13.746 98 HD13 ILE 14 3HD1 ILE 14 7.591 -0.131 -12.281 99 H ILE 15 HN ILE 15 6.170 -2.057 -9.330 100 HA ILE 15 HA ILE 15 8.796 -2.223 -9.790 101 HB ILE 15 HB ILE 15 7.229 -4.326 -8.293 102 HG12 ILE 15 2HG1 ILE 15 8.700 -2.081 -6.983 103 HG13 ILE 15 3HG1 ILE 15 7.142 -1.737 -7.728 104 HG21 ILE 15 1HG2 ILE 15 9.201 -5.367 -8.158 105 HG22 ILE 15 2HG2 ILE 15 10.081 -3.966 -8.771 106 HG23 ILE 15 3HG2 ILE 15 9.667 -4.068 -7.060 107 HD11 ILE 15 1HD1 ILE 15 7.713 -3.688 -5.515 108 HD12 ILE 15 2HD1 ILE 15 6.788 -2.191 -5.420 109 HD13 ILE 15 3HD1 ILE 15 6.163 -3.557 -6.343 110 H CYS 16 HN CYS 16 6.585 -4.939 -10.455 111 HA CYS 16 HA CYS 16 8.645 -6.074 -12.226 112 HB2 CYS 16 2HB CYS 16 7.409 -8.222 -11.953 113 HB3 CYS 16 3HB CYS 16 8.060 -7.595 -10.442 114 H ARG 17 HN ARG 17 5.866 -4.306 -12.308 115 HA ARG 17 HA ARG 17 4.239 -3.892 -13.855 116 HB2 ARG 17 2HB ARG 17 6.633 -4.623 -15.518 117 HB3 ARG 17 3HB ARG 17 5.110 -4.175 -16.275 118 HG2 ARG 17 2HG ARG 17 5.399 -2.130 -14.547 119 HG3 ARG 17 3HG ARG 17 7.090 -2.514 -14.872 120 HD2 ARG 17 2HD ARG 17 5.025 -2.069 -17.019 121 HD3 ARG 17 3HD ARG 17 6.078 -0.801 -16.397 122 HE ARG 17 HE ARG 17 7.472 -3.140 -17.338 123 HH11 ARG 17 1HH1 ARG 17 6.128 -0.045 -18.197 124 HH12 ARG 17 2HH1 ARG 17 7.146 0.159 -19.584 125 HH21 ARG 17 1HH2 ARG 17 8.817 -2.883 -19.162 126 HH22 ARG 17 2HH2 ARG 17 8.675 -1.457 -20.132 127 H GLU 18 HN GLU 18 3.350 -6.005 -12.798 128 HA GLU 18 HA GLU 18 2.743 -7.870 -14.994 129 HB2 GLU 18 2HB GLU 18 3.413 -8.475 -12.126 130 HB3 GLU 18 3HB GLU 18 2.465 -9.596 -13.093 131 HG2 GLU 18 2HG GLU 18 5.258 -8.643 -13.682 132 HG3 GLU 18 3HG GLU 18 4.790 -10.239 -13.098 133 H GLU 19 HN GLU 19 1.446 -8.222 -11.790 134 HA GLU 19 HA GLU 19 -0.954 -6.727 -12.296 135 HB2 GLU 19 2HB GLU 19 -0.829 -9.467 -13.123 136 HB3 GLU 19 3HB GLU 19 -1.957 -9.327 -11.783 137 HG2 GLU 19 2HG GLU 19 -2.675 -7.207 -13.334 138 HG3 GLU 19 3HG GLU 19 -2.184 -8.392 -14.542 139 H MET 20 HN MET 20 -2.348 -6.625 -10.471 140 HA MET 20 HA MET 20 -1.286 -7.831 -8.011 141 HB2 MET 20 2HB MET 20 -1.926 -4.937 -8.519 142 HB3 MET 20 3HB MET 20 -1.961 -5.606 -6.894 143 HG2 MET 20 2HG MET 20 0.358 -6.184 -7.015 144 HG3 MET 20 3HG MET 20 0.427 -5.729 -8.716 145 HE1 MET 20 1HE MET 20 -0.141 -1.957 -8.664 146 HE2 MET 20 2HE MET 20 -0.829 -3.455 -9.289 147 HE3 MET 20 3HE MET 20 -1.570 -2.654 -7.902 148 H VAL 21 HN VAL 21 -2.859 -9.213 -7.467 149 HA VAL 21 HA VAL 21 -5.634 -8.216 -7.468 150 HB VAL 21 HB VAL 21 -6.360 -10.569 -7.647 151 HG11 VAL 21 1HG1 VAL 21 -5.010 -9.029 -9.688 152 HG12 VAL 21 2HG1 VAL 21 -4.946 -10.759 -10.030 153 HG13 VAL 21 3HG1 VAL 21 -6.502 -9.963 -9.785 154 HG21 VAL 21 1HG2 VAL 21 -3.421 -11.027 -7.573 155 HG22 VAL 21 2HG2 VAL 21 -4.726 -11.947 -6.825 156 HG23 VAL 21 3HG2 VAL 21 -4.417 -12.101 -8.555 157 H THR 22 HN THR 22 -3.364 -10.375 -5.792 158 HA THR 22 HA THR 22 -4.876 -9.886 -3.308 159 HB THR 22 HB THR 22 -3.455 -12.223 -2.855 160 HG1 THR 22 1HG THR 22 -3.062 -12.541 -5.051 161 HG21 THR 22 1HG2 THR 22 -6.332 -11.774 -3.645 162 HG22 THR 22 2HG2 THR 22 -5.665 -11.858 -2.015 163 HG23 THR 22 3HG2 THR 22 -5.715 -13.303 -3.022 164 H GLY 23 HN GLY 23 -3.380 -10.549 -1.345 165 HA2 GLY 23 1HA GLY 23 -1.706 -9.546 -0.072 166 HA3 GLY 23 2HA GLY 23 -0.721 -10.510 -1.163 167 H ALA 24 HN ALA 24 -2.393 -7.366 -1.041 168 HA ALA 24 HA ALA 24 0.033 -6.074 -2.001 169 HB1 ALA 24 1HB ALA 24 -1.049 -4.934 -3.833 170 HB2 ALA 24 2HB ALA 24 -1.220 -6.677 -4.044 171 HB3 ALA 24 3HB ALA 24 -2.582 -5.722 -3.461 172 H LYS 25 HN LYS 25 0.200 -3.922 -1.421 173 HA LYS 25 HA LYS 25 -1.902 -2.956 0.399 174 HB2 LYS 25 2HB LYS 25 0.915 -1.912 0.353 175 HB3 LYS 25 3HB LYS 25 -0.261 -1.847 1.660 176 HG2 LYS 25 2HG LYS 25 1.055 -4.365 0.660 177 HG3 LYS 25 3HG LYS 25 1.577 -3.440 2.071 178 HD2 LYS 25 2HD LYS 25 -1.172 -3.855 2.413 179 HD3 LYS 25 3HD LYS 25 -0.526 -5.395 1.838 180 HE2 LYS 25 2HE LYS 25 0.864 -5.643 3.667 181 HE3 LYS 25 3HE LYS 25 0.895 -3.912 4.007 182 HZ1 LYS 25 1HZ LYS 25 -1.729 -4.642 4.297 183 HZ2 LYS 25 2HZ LYS 25 -0.631 -4.326 5.544 184 HZ3 LYS 25 3HZ LYS 25 -0.868 -5.912 5.007 185 H ARG 26 HN ARG 26 -1.698 -0.415 0.607 186 HA ARG 26 HA ARG 26 -1.507 0.734 -2.095 187 HB2 ARG 26 2HB ARG 26 -3.882 0.271 -1.449 188 HB3 ARG 26 3HB ARG 26 -3.682 1.383 -0.101 189 HG2 ARG 26 2HG ARG 26 -3.017 3.109 -1.873 190 HG3 ARG 26 3HG ARG 26 -3.717 1.980 -3.035 191 HD2 ARG 26 2HD ARG 26 -5.277 3.765 -2.227 192 HD3 ARG 26 3HD ARG 26 -5.854 2.115 -1.995 193 HE ARG 26 HE ARG 26 -4.479 3.231 0.280 194 HH11 ARG 26 1HH1 ARG 26 -7.535 2.826 -1.337 195 HH12 ARG 26 2HH1 ARG 26 -8.475 3.061 0.101 196 HH21 ARG 26 1HH2 ARG 26 -5.705 3.541 2.179 197 HH22 ARG 26 2HH2 ARG 26 -7.432 3.469 2.100 198 H LEU 27 HN LEU 27 0.082 2.177 -2.033 199 HA LEU 27 HA LEU 27 1.061 3.379 0.326 200 HB2 LEU 27 2HB LEU 27 1.455 4.039 -2.583 201 HB3 LEU 27 3HB LEU 27 2.298 4.875 -1.281 202 HG LEU 27 HG LEU 27 2.528 1.940 -1.949 203 HD11 LEU 27 1HD1 LEU 27 4.414 2.392 -3.100 204 HD12 LEU 27 2HD1 LEU 27 4.848 3.757 -2.071 205 HD13 LEU 27 3HD1 LEU 27 3.634 3.957 -3.335 206 HD21 LEU 27 1HD2 LEU 27 3.140 1.758 0.193 207 HD22 LEU 27 2HD2 LEU 27 3.265 3.505 0.403 208 HD23 LEU 27 3HD2 LEU 27 4.609 2.601 -0.296 209 HA PRO 28 HA PRO 28 -1.529 6.876 0.905 210 HB2 PRO 28 2HB PRO 28 0.244 8.674 1.900 211 HB3 PRO 28 3HB PRO 28 -0.338 7.286 2.827 212 HG2 PRO 28 2HG PRO 28 2.227 7.618 1.320 213 HG3 PRO 28 3HG PRO 28 1.954 6.905 2.921 214 HD2 PRO 28 2HD PRO 28 2.288 5.401 0.695 215 HD3 PRO 28 3HD PRO 28 1.253 4.893 2.044 216 H CYS 29 HN CYS 29 0.680 6.711 -1.529 217 HA CYS 29 HA CYS 29 0.223 9.476 -2.420 218 HB2 CYS 29 2HB CYS 29 2.044 8.881 -4.117 219 HB3 CYS 29 3HB CYS 29 2.544 9.048 -2.438 220 H ASN 30 HN ASN 30 -1.133 6.530 -2.733 221 HA ASN 30 HA ASN 30 -2.834 5.864 -4.133 222 HB2 ASN 30 2HB ASN 30 -2.679 8.467 -4.830 223 HB3 ASN 30 3HB ASN 30 -2.146 7.725 -6.335 224 HD21 ASN 30 1HD2 ASN 30 -3.793 7.766 -7.683 225 HD22 ASN 30 2HD2 ASN 30 -5.410 7.276 -7.324 226 H HIS 31 HN HIS 31 -0.603 4.442 -4.035 227 HA HIS 31 HA HIS 31 -0.388 3.390 -6.726 228 HB2 HIS 31 2HB HIS 31 2.076 4.290 -5.217 229 HB3 HIS 31 3HB HIS 31 2.073 3.405 -6.739 230 HD2 HIS 31 2HD HIS 31 0.323 5.077 -8.693 231 HE1 HIS 31 1HE HIS 31 2.262 8.553 -7.224 232 HE2 HIS 31 2HE HIS 31 0.795 7.597 -9.034 233 H ILE 32 HN ILE 32 -0.767 1.297 -6.480 234 HA ILE 32 HA ILE 32 -0.074 -0.018 -3.967 235 HB ILE 32 HB ILE 32 -1.738 -0.964 -6.301 236 HG12 ILE 32 2HG1 ILE 32 -2.873 -0.679 -3.585 237 HG13 ILE 32 3HG1 ILE 32 -2.433 0.825 -4.385 238 HG21 ILE 32 1HG2 ILE 32 -0.490 -2.435 -4.151 239 HG22 ILE 32 2HG2 ILE 32 -2.245 -2.592 -4.108 240 HG23 ILE 32 3HG2 ILE 32 -1.357 -3.028 -5.567 241 HD11 ILE 32 1HD1 ILE 32 -3.775 -0.219 -6.380 242 HD12 ILE 32 2HD1 ILE 32 -4.526 -1.159 -5.090 243 HD13 ILE 32 3HD1 ILE 32 -4.599 0.604 -5.056 244 H PHE 33 HN PHE 33 1.265 -1.791 -3.813 245 HA PHE 33 HA PHE 33 2.542 -2.838 -6.205 246 HB2 PHE 33 2HB PHE 33 4.197 -1.661 -3.964 247 HB3 PHE 33 3HB PHE 33 4.800 -2.403 -5.442 248 HD1 PHE 33 1HD PHE 33 3.864 0.624 -3.866 249 HD2 PHE 33 2HD PHE 33 4.116 -1.284 -7.662 250 HE1 PHE 33 1HE PHE 33 3.850 2.823 -4.969 251 HE2 PHE 33 2HE PHE 33 4.103 0.912 -8.771 252 HZ PHE 33 HZ PHE 33 3.971 2.970 -7.424 253 H HIS 34 HN HIS 34 3.327 -4.903 -5.967 254 HA HIS 34 HA HIS 34 2.201 -6.636 -4.202 255 HB2 HIS 34 2HB HIS 34 4.852 -6.774 -5.624 256 HB3 HIS 34 3HB HIS 34 4.266 -8.107 -4.634 257 HD2 HIS 34 2HD HIS 34 1.160 -8.175 -5.668 258 HE1 HIS 34 1HE HIS 34 2.888 -8.604 -9.518 259 HE2 HIS 34 2HE HIS 34 0.781 -8.792 -8.151 260 H THR 35 HN THR 35 2.442 -7.209 -2.129 261 HA THR 35 HA THR 35 3.861 -5.645 -0.314 262 HB THR 35 HB THR 35 3.082 -8.516 0.192 263 HG1 THR 35 1HG THR 35 1.042 -7.543 0.855 264 HG21 THR 35 1HG2 THR 35 2.747 -6.352 2.191 265 HG22 THR 35 2HG2 THR 35 4.398 -6.860 1.830 266 HG23 THR 35 3HG2 THR 35 3.219 -8.036 2.413 267 H SER 36 HN SER 36 4.936 -8.215 -2.307 268 HA SER 36 HA SER 36 7.298 -8.735 -0.675 269 HB2 SER 36 2HB SER 36 6.781 -9.946 -3.379 270 HB3 SER 36 3HB SER 36 7.689 -10.615 -2.023 271 HG SER 36 HG SER 36 5.504 -10.523 -0.936 272 H CYS 37 HN CYS 37 6.427 -7.417 -3.840 273 HA CYS 37 HA CYS 37 9.082 -6.903 -4.690 274 HB2 CYS 37 2HB CYS 37 6.482 -5.618 -5.554 275 HB3 CYS 37 3HB CYS 37 8.021 -5.457 -6.395 276 H LEU 38 HN LEU 38 6.959 -5.294 -2.524 277 HA LEU 38 HA LEU 38 8.171 -2.700 -2.736 278 HB2 LEU 38 2HB LEU 38 6.195 -3.975 -0.889 279 HB3 LEU 38 3HB LEU 38 6.923 -2.426 -0.469 280 HG LEU 38 HG LEU 38 5.283 -2.990 -2.940 281 HD11 LEU 38 1HD1 LEU 38 4.645 -1.602 -0.348 282 HD12 LEU 38 2HD1 LEU 38 3.833 -2.993 -1.064 283 HD13 LEU 38 3HD1 LEU 38 3.688 -1.404 -1.817 284 HD21 LEU 38 1HD2 LEU 38 6.113 -1.112 -3.775 285 HD22 LEU 38 2HD2 LEU 38 7.168 -0.942 -2.372 286 HD23 LEU 38 3HD2 LEU 38 5.554 -0.229 -2.355 287 H ARG 39 HN ARG 39 8.122 -5.134 -0.123 288 HA ARG 39 HA ARG 39 10.040 -3.954 1.501 289 HB2 ARG 39 2HB ARG 39 9.468 -6.900 1.130 290 HB3 ARG 39 3HB ARG 39 10.355 -6.200 2.477 291 HG2 ARG 39 2HG ARG 39 8.245 -4.825 2.915 292 HG3 ARG 39 3HG ARG 39 7.441 -5.956 1.825 293 HD2 ARG 39 2HD ARG 39 8.310 -7.814 3.270 294 HD3 ARG 39 3HD ARG 39 8.854 -6.585 4.410 295 HE ARG 39 HE ARG 39 6.230 -6.004 4.058 296 HH11 ARG 39 1HH1 ARG 39 7.961 -8.899 4.917 297 HH12 ARG 39 2HH1 ARG 39 6.672 -9.541 5.880 298 HH21 ARG 39 1HH2 ARG 39 4.526 -6.837 5.324 299 HH22 ARG 39 2HH2 ARG 39 4.718 -8.367 6.110 300 H SER 40 HN SER 40 10.414 -5.583 -1.496 301 HA SER 40 HA SER 40 13.264 -6.052 -1.080 302 HB2 SER 40 2HB SER 40 12.395 -7.863 -2.240 303 HB3 SER 40 3HB SER 40 11.271 -6.867 -3.163 304 HG SER 40 HG SER 40 12.963 -6.166 -4.432 305 H TRP 41 HN TRP 41 11.132 -3.761 -2.500 306 HA TRP 41 HA TRP 41 13.086 -2.636 -4.300 307 HB2 TRP 41 2HB TRP 41 10.775 -2.486 -4.951 308 HB3 TRP 41 3HB TRP 41 10.345 -1.708 -3.430 309 HD1 TRP 41 1HD TRP 41 11.038 0.884 -3.141 310 HE1 TRP 41 1HE TRP 41 11.534 2.710 -4.885 311 HE3 TRP 41 3HE TRP 41 11.783 -2.085 -7.236 312 HZ2 TRP 41 2HZ TRP 41 12.158 2.871 -7.633 313 HZ3 TRP 41 3HZ TRP 41 12.326 -1.017 -9.384 314 HH2 TRP 41 2HH TRP 41 12.509 1.410 -9.577 315 H PHE 42 HN PHE 42 11.472 -1.545 -1.316 316 HA PHE 42 HA PHE 42 13.040 0.799 -1.039 317 HB2 PHE 42 2HB PHE 42 11.414 -0.753 0.983 318 HB3 PHE 42 3HB PHE 42 12.145 0.817 1.300 319 HD1 PHE 42 1HD PHE 42 9.155 -0.635 0.670 320 HD2 PHE 42 2HD PHE 42 11.606 2.496 -0.851 321 HE1 PHE 42 1HE PHE 42 7.162 0.474 -0.253 322 HE2 PHE 42 2HE PHE 42 9.616 3.609 -1.775 323 HZ PHE 42 HZ PHE 42 7.390 2.599 -1.476 324 H GLN 43 HN GLN 43 13.725 -2.474 -0.488 325 HA GLN 43 HA GLN 43 15.421 -2.436 1.712 326 HB2 GLN 43 2HB GLN 43 15.018 -4.173 -0.627 327 HB3 GLN 43 3HB GLN 43 16.628 -4.260 0.076 328 HG2 GLN 43 2HG GLN 43 14.500 -4.353 2.061 329 HG3 GLN 43 3HG GLN 43 14.435 -5.676 0.898 330 HE21 GLN 43 1HE2 GLN 43 17.052 -6.146 0.384 331 HE22 GLN 43 2HE2 GLN 43 17.857 -6.680 1.816 332 H ARG 44 HN ARG 44 15.906 -1.227 -1.501 333 HA ARG 44 HA ARG 44 18.661 -0.481 -0.766 334 HB2 ARG 44 2HB ARG 44 17.647 -1.110 -3.544 335 HB3 ARG 44 3HB ARG 44 19.290 -0.653 -3.116 336 HG2 ARG 44 2HG ARG 44 19.765 -2.699 -2.183 337 HG3 ARG 44 3HG ARG 44 18.069 -3.057 -1.849 338 HD2 ARG 44 2HD ARG 44 17.717 -3.215 -4.329 339 HD3 ARG 44 3HD ARG 44 19.466 -3.095 -4.518 340 HE ARG 44 HE ARG 44 19.675 -5.262 -3.769 341 HH11 ARG 44 1HH1 ARG 44 16.425 -4.133 -3.235 342 HH12 ARG 44 2HH1 ARG 44 15.809 -5.699 -2.823 343 HH21 ARG 44 1HH2 ARG 44 18.875 -7.329 -3.231 344 HH22 ARG 44 2HH2 ARG 44 17.203 -7.516 -2.821 345 H GLN 45 HN GLN 45 15.609 0.461 -2.121 346 HA GLN 45 HA GLN 45 16.622 3.202 -2.481 347 HB2 GLN 45 2HB GLN 45 14.548 1.618 -3.936 348 HB3 GLN 45 3HB GLN 45 14.370 3.365 -3.841 349 HG2 GLN 45 2HG GLN 45 15.725 3.557 -5.572 350 HG3 GLN 45 3HG GLN 45 17.030 2.899 -4.585 351 HE21 GLN 45 1HE2 GLN 45 17.533 0.703 -4.743 352 HE22 GLN 45 2HE2 GLN 45 17.029 -0.252 -6.090 353 H GLN 46 HN GLN 46 14.635 4.809 -2.315 354 HA GLN 46 HA GLN 46 12.876 4.093 -0.102 355 HB2 GLN 46 2HB GLN 46 15.147 5.212 0.632 356 HB3 GLN 46 3HB GLN 46 14.343 6.688 0.114 357 HG2 GLN 46 2HG GLN 46 12.573 6.349 1.691 358 HG3 GLN 46 3HG GLN 46 13.208 4.763 2.127 359 HE21 GLN 46 1HE2 GLN 46 14.018 8.200 2.103 360 HE22 GLN 46 2HE2 GLN 46 15.009 8.159 3.517 361 H THR 47 HN THR 47 12.580 4.721 -2.968 362 HA THR 47 HA THR 47 10.628 6.893 -2.668 363 HB THR 47 HB THR 47 11.645 7.001 -5.326 364 HG1 THR 47 1HG THR 47 13.826 7.796 -4.568 365 HG21 THR 47 1HG2 THR 47 11.748 9.273 -4.919 366 HG22 THR 47 2HG2 THR 47 12.264 9.057 -3.246 367 HG23 THR 47 3HG2 THR 47 10.587 8.756 -3.699 368 H CYS 48 HN CYS 48 8.781 6.711 -3.923 369 HA CYS 48 HA CYS 48 7.766 4.224 -4.468 370 HB2 CYS 48 2HB CYS 48 6.779 6.757 -4.584 371 HB3 CYS 48 3HB CYS 48 6.812 6.336 -6.293 372 HA PRO 49 HA PRO 49 9.838 2.840 -8.108 373 HB2 PRO 49 2HB PRO 49 8.095 0.882 -8.818 374 HB3 PRO 49 3HB PRO 49 9.218 0.723 -7.463 375 HG2 PRO 49 2HG PRO 49 6.311 1.439 -7.440 376 HG3 PRO 49 3HG PRO 49 7.203 0.347 -6.366 377 HD2 PRO 49 2HD PRO 49 6.554 2.877 -5.656 378 HD3 PRO 49 3HD PRO 49 8.032 2.076 -5.088 379 H THR 50 HN THR 50 7.091 4.654 -8.065 380 HA THR 50 HA THR 50 7.018 4.782 -10.998 381 HB THR 50 HB THR 50 5.060 3.472 -10.267 382 HG1 THR 50 1HG THR 50 3.912 5.898 -11.016 383 HG21 THR 50 1HG2 THR 50 3.368 4.357 -8.866 384 HG22 THR 50 2HG2 THR 50 4.088 5.967 -8.891 385 HG23 THR 50 3HG2 THR 50 4.892 4.655 -8.029 386 H CYS 51 HN CYS 51 5.948 6.348 -7.986 387 HA CYS 51 HA CYS 51 6.109 8.955 -9.314 388 HB2 CYS 51 2HB CYS 51 4.667 9.788 -7.701 389 HB3 CYS 51 3HB CYS 51 4.114 8.122 -7.838 390 H ARG 52 HN ARG 52 8.080 6.947 -7.610 391 HA ARG 52 HA ARG 52 9.825 7.241 -6.119 392 HB2 ARG 52 2HB ARG 52 10.731 9.574 -7.694 393 HB3 ARG 52 3HB ARG 52 11.576 8.085 -7.297 394 HG2 ARG 52 2HG ARG 52 9.362 8.193 -9.322 395 HG3 ARG 52 3HG ARG 52 11.052 8.482 -9.738 396 HD2 ARG 52 2HD ARG 52 11.087 6.146 -8.230 397 HD3 ARG 52 3HD ARG 52 9.663 5.989 -9.256 398 HE ARG 52 HE ARG 52 12.345 5.730 -10.075 399 HH11 ARG 52 1HH1 ARG 52 9.321 7.109 -11.109 400 HH12 ARG 52 2HH1 ARG 52 9.692 6.984 -12.797 401 HH21 ARG 52 1HH2 ARG 52 12.845 5.561 -12.294 402 HH22 ARG 52 2HH2 ARG 52 11.697 6.103 -13.470 403 H MET 53 HN MET 53 8.026 8.188 -4.618 404 HA MET 53 HA MET 53 8.940 10.855 -3.764 405 HB2 MET 53 2HB MET 53 6.591 10.716 -4.810 406 HB3 MET 53 3HB MET 53 6.127 9.879 -3.335 407 HG2 MET 53 2HG MET 53 7.545 12.468 -3.069 408 HG3 MET 53 3HG MET 53 5.871 12.492 -3.618 409 HE1 MET 53 1HE MET 53 4.199 10.254 -1.256 410 HE2 MET 53 2HE MET 53 3.694 11.935 -1.079 411 HE3 MET 53 3HE MET 53 4.112 11.302 -2.673 412 H ASP 54 HN ASP 54 9.822 10.837 -1.813 413 HA ASP 54 HA ASP 54 10.231 8.708 -0.185 414 HB2 ASP 54 2HB ASP 54 11.409 10.703 0.301 415 HB3 ASP 54 3HB ASP 54 9.922 11.623 0.513 416 H VAL 55 HN VAL 55 9.014 7.402 1.003 417 HA VAL 55 HA VAL 55 6.347 8.348 1.836 418 HB VAL 55 HB VAL 55 5.779 5.853 1.884 419 HG11 VAL 55 1HG1 VAL 55 4.948 7.468 0.206 420 HG12 VAL 55 2HG1 VAL 55 6.345 7.096 -0.805 421 HG13 VAL 55 3HG1 VAL 55 5.156 5.843 -0.447 422 HG21 VAL 55 1HG2 VAL 55 8.291 5.774 0.218 423 HG22 VAL 55 2HG2 VAL 55 7.998 4.933 1.742 424 HG23 VAL 55 3HG2 VAL 55 7.101 4.474 0.294 425 H LEU 56 HN LEU 56 9.169 6.431 2.737 426 HA LEU 56 HA LEU 56 8.523 5.350 5.123 427 HB2 LEU 56 2HB LEU 56 10.944 6.361 3.911 428 HB3 LEU 56 3HB LEU 56 10.973 6.559 5.662 429 HG LEU 56 HG LEU 56 12.005 4.438 4.692 430 HD11 LEU 56 1HD1 LEU 56 10.742 3.036 6.506 431 HD12 LEU 56 2HD1 LEU 56 10.035 4.596 6.922 432 HD13 LEU 56 3HD1 LEU 56 11.785 4.380 6.974 433 HD21 LEU 56 1HD2 LEU 56 10.665 2.721 3.916 434 HD22 LEU 56 2HD2 LEU 56 9.913 4.139 3.185 435 HD23 LEU 56 3HD2 LEU 56 9.200 3.405 4.622
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