NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
8996 | 1n89 | 4977 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ALA 1 HT1 ALA 1 13.388 2.806 0.459 2 2H ALA 1 HT2 ALA 1 14.969 2.666 -0.194 3 3H ALA 1 HT3 ALA 1 13.631 2.943 -1.232 4 HA ALA 1 HA ALA 1 14.350 4.807 0.906 5 1HB ALA 1 HB1 ALA 1 16.157 4.184 -0.977 6 2HB ALA 1 HB2 ALA 1 15.979 5.803 -0.301 7 3HB ALA 1 HB3 ALA 1 15.229 5.406 -1.847 8 H CYS 2 HN CYS 2 11.794 3.892 -0.062 9 HA CYS 2 HA CYS 2 9.786 4.722 -0.736 10 1HB CYS 2 HB2 CYS 2 10.953 7.491 -0.728 11 2HB CYS 2 HB1 CYS 2 9.326 6.977 -0.300 12 H GLN 3 HN GLN 3 9.713 3.878 -2.794 13 HA GLN 3 HA GLN 3 11.018 5.189 -5.000 14 1HB GLN 3 HB2 GLN 3 9.441 2.726 -4.590 15 2HB GLN 3 HB1 GLN 3 9.298 3.456 -6.183 16 1HG GLN 3 HG2 GLN 3 12.010 3.068 -5.029 17 2HG GLN 3 HG1 GLN 3 11.142 1.668 -5.658 18 1HE2 GLN 3 HE21 GLN 3 12.963 4.439 -6.410 19 2HE2 GLN 3 HE22 GLN 3 12.884 4.315 -8.132 20 H ALA 4 HN ALA 4 7.698 4.868 -3.811 21 HA ALA 4 HA ALA 4 5.797 6.042 -4.252 22 1HB ALA 4 HB1 ALA 4 6.001 8.302 -4.298 23 2HB ALA 4 HB2 ALA 4 7.249 8.276 -5.544 24 3HB ALA 4 HB3 ALA 4 7.666 7.908 -3.870 25 H SER 5 HN SER 5 6.848 4.220 -6.241 26 HA SER 5 HA SER 5 5.290 5.158 -8.510 27 1HB SER 5 HB2 SER 5 8.236 4.783 -8.556 28 2HB SER 5 HB1 SER 5 7.335 4.154 -9.936 29 HG SER 5 HG SER 5 7.565 6.177 -10.552 30 H GLN 6 HN GLN 6 7.085 2.562 -6.944 31 HA GLN 6 HA GLN 6 6.213 0.477 -8.601 32 1HB GLN 6 HB2 GLN 6 7.438 0.666 -5.891 33 2HB GLN 6 HB1 GLN 6 6.728 -0.866 -6.380 34 1HG GLN 6 HG2 GLN 6 8.168 -0.626 -8.491 35 2HG GLN 6 HG1 GLN 6 9.050 0.593 -7.573 36 1HE2 GLN 6 HE21 GLN 6 9.273 -2.439 -8.511 37 2HE2 GLN 6 HE22 GLN 6 10.087 -3.153 -7.165 38 H LEU 7 HN LEU 7 4.582 2.333 -6.290 39 HA LEU 7 HA LEU 7 2.520 0.273 -5.920 40 1HB LEU 7 HB2 LEU 7 2.435 2.781 -4.347 41 2HB LEU 7 HB1 LEU 7 2.048 1.140 -3.867 42 HG LEU 7 HG LEU 7 4.900 1.975 -4.333 43 1HD1 LEU 7 HD11 LEU 7 5.148 2.720 -2.136 44 2HD1 LEU 7 HD12 LEU 7 3.589 2.065 -1.636 45 3HD1 LEU 7 HD13 LEU 7 3.655 3.486 -2.678 46 1HD2 LEU 7 HD21 LEU 7 5.300 -0.133 -3.763 47 2HD2 LEU 7 HD22 LEU 7 3.570 -0.427 -3.591 48 3HD2 LEU 7 HD23 LEU 7 4.511 0.128 -2.208 49 H ALA 8 HN ALA 8 3.191 3.301 -7.405 50 HA ALA 8 HA ALA 8 0.793 4.592 -7.525 51 1HB ALA 8 HB1 ALA 8 2.953 5.346 -8.535 52 2HB ALA 8 HB2 ALA 8 1.530 5.631 -9.536 53 3HB ALA 8 HB3 ALA 8 2.609 4.284 -9.900 54 H VAL 9 HN VAL 9 1.835 1.898 -9.513 55 HA VAL 9 HA VAL 9 -0.302 1.761 -11.264 56 HB VAL 9 HB VAL 9 1.744 0.436 -11.545 57 1HG1 VAL 9 HG11 VAL 9 0.683 -1.413 -9.422 58 2HG1 VAL 9 HG12 VAL 9 1.899 -0.176 -9.103 59 3HG1 VAL 9 HG13 VAL 9 2.243 -1.478 -10.242 60 1HG2 VAL 9 HG21 VAL 9 0.491 -0.750 -12.943 61 2HG2 VAL 9 HG22 VAL 9 -0.938 -0.482 -11.945 62 3HG2 VAL 9 HG23 VAL 9 0.114 -1.861 -11.627 63 H CYS 10 HN CYS 10 -0.100 0.900 -7.939 64 HA CYS 10 HA CYS 10 -2.536 -0.685 -7.967 65 1HB CYS 10 HB2 CYS 10 -0.408 -0.981 -6.464 66 2HB CYS 10 HB1 CYS 10 -1.177 0.249 -5.468 67 H ALA 11 HN ALA 11 -1.435 2.501 -7.157 68 HA ALA 11 HA ALA 11 -3.306 3.543 -5.500 69 1HB ALA 11 HB1 ALA 11 -1.384 4.774 -6.491 70 2HB ALA 11 HB2 ALA 11 -2.885 5.699 -6.455 71 3HB ALA 11 HB3 ALA 11 -2.333 4.972 -7.964 72 H SER 12 HN SER 12 -3.753 2.643 -8.812 73 HA SER 12 HA SER 12 -6.091 3.977 -9.444 74 1HB SER 12 HB2 SER 12 -5.335 1.169 -10.281 75 2HB SER 12 HB1 SER 12 -6.479 2.228 -11.104 76 HG SER 12 HG SER 12 -4.629 3.710 -11.313 77 H ALA 13 HN ALA 13 -5.593 1.072 -7.548 78 HA ALA 13 HA ALA 13 -8.408 0.533 -7.302 79 1HB ALA 13 HB1 ALA 13 -6.458 -0.815 -5.530 80 2HB ALA 13 HB2 ALA 13 -6.318 -1.110 -7.263 81 3HB ALA 13 HB3 ALA 13 -7.825 -1.479 -6.425 82 H ILE 14 HN ILE 14 -5.792 1.728 -5.233 83 HA ILE 14 HA ILE 14 -7.257 1.926 -2.850 84 HB ILE 14 HB ILE 14 -4.880 3.523 -3.812 85 1HG1 ILE 14 HG12 ILE 14 -3.833 2.066 -1.907 86 2HG1 ILE 14 HG11 ILE 14 -5.246 1.042 -2.159 87 1HG2 ILE 14 HG21 ILE 14 -4.883 3.640 -1.053 88 2HG2 ILE 14 HG22 ILE 14 -6.570 3.917 -1.485 89 3HG2 ILE 14 HG23 ILE 14 -5.307 4.950 -2.155 90 1HD1 ILE 14 HD11 ILE 14 -4.558 0.378 -4.240 91 2HD1 ILE 14 HD12 ILE 14 -3.009 0.578 -3.421 92 3HD1 ILE 14 HD13 ILE 14 -3.600 1.834 -4.510 93 H LEU 15 HN LEU 15 -6.530 4.439 -5.276 94 HA LEU 15 HA LEU 15 -8.237 6.365 -4.037 95 1HB LEU 15 HB2 LEU 15 -6.739 6.232 -6.628 96 2HB LEU 15 HB1 LEU 15 -7.902 7.514 -6.350 97 HG LEU 15 HG LEU 15 -5.493 6.956 -4.618 98 1HD1 LEU 15 HD11 LEU 15 -5.946 8.706 -6.966 99 2HD1 LEU 15 HD12 LEU 15 -4.484 7.876 -6.434 100 3HD1 LEU 15 HD13 LEU 15 -4.999 9.358 -5.629 101 1HD2 LEU 15 HD21 LEU 15 -6.225 9.441 -3.986 102 2HD2 LEU 15 HD22 LEU 15 -6.840 8.022 -3.138 103 3HD2 LEU 15 HD23 LEU 15 -7.809 8.785 -4.398 104 H SER 16 HN SER 16 -8.511 5.398 -7.436 105 HA SER 16 HA SER 16 -11.261 5.900 -7.579 106 1HB SER 16 HB2 SER 16 -10.031 5.884 -9.615 107 2HB SER 16 HB1 SER 16 -9.422 4.256 -9.320 108 HG SER 16 HG SER 16 -11.207 4.426 -10.847 109 H GLY 17 HN GLY 17 -9.877 2.661 -8.082 110 1HA GLY 17 HA2 GLY 17 -10.516 0.886 -6.459 111 2HA GLY 17 HA1 GLY 17 -12.128 1.583 -6.496 112 H ALA 18 HN ALA 18 -10.002 1.074 -9.266 113 HA ALA 18 HA ALA 18 -11.976 -0.056 -10.876 114 1HB ALA 18 HB1 ALA 18 -9.794 -1.011 -12.067 115 2HB ALA 18 HB2 ALA 18 -9.035 0.183 -11.015 116 3HB ALA 18 HB3 ALA 18 -10.269 0.685 -12.170 117 H LYS 19 HN LYS 19 -9.115 -1.858 -9.936 118 HA LYS 19 HA LYS 19 -10.540 -3.979 -8.700 119 1HB LYS 19 HB2 LYS 19 -9.770 -5.687 -10.475 120 2HB LYS 19 HB1 LYS 19 -11.213 -4.737 -10.802 121 1HG LYS 19 HG2 LYS 19 -8.827 -3.417 -11.768 122 2HG LYS 19 HG1 LYS 19 -9.005 -5.036 -12.448 123 1HD LYS 19 HD2 LYS 19 -11.011 -4.523 -13.479 124 2HD LYS 19 HD1 LYS 19 -11.357 -3.194 -12.371 125 1HE LYS 19 HE2 LYS 19 -10.696 -1.896 -14.081 126 2HE LYS 19 HE1 LYS 19 -9.072 -2.318 -13.541 127 1HZ LYS 19 HZ1 LYS 19 -10.327 -4.189 -15.375 128 2HZ LYS 19 HZ2 LYS 19 -8.729 -3.636 -15.316 129 3HZ LYS 19 HZ3 LYS 19 -9.928 -2.679 -16.027 130 HA PRO 20 HA PRO 20 -6.571 -4.434 -6.794 131 1HB PRO 20 HB2 PRO 20 -7.325 -7.310 -6.618 132 2HB PRO 20 HB1 PRO 20 -6.787 -6.208 -5.346 133 1HG PRO 20 HG2 PRO 20 -9.348 -6.907 -5.539 134 2HG PRO 20 HG1 PRO 20 -8.887 -5.251 -5.105 135 1HD PRO 20 HD2 PRO 20 -9.903 -6.319 -7.702 136 2HD PRO 20 HD1 PRO 20 -10.220 -4.757 -6.920 137 H SER 21 HN SER 21 -4.806 -6.374 -6.833 138 HA SER 21 HA SER 21 -4.459 -7.798 -9.234 139 1HB SER 21 HB2 SER 21 -3.454 -5.007 -9.180 140 2HB SER 21 HB1 SER 21 -2.351 -6.223 -9.823 141 HG SER 21 HG SER 21 -4.119 -6.868 -11.216 142 H GLY 22 HN GLY 22 -2.759 -9.211 -9.092 143 1HA GLY 22 HA2 GLY 22 -1.621 -9.643 -6.540 144 2HA GLY 22 HA1 GLY 22 -1.162 -10.469 -8.022 145 H GLU 23 HN GLU 23 -0.233 -8.330 -9.538 146 HA GLU 23 HA GLU 23 2.400 -8.134 -8.858 147 1HB GLU 23 HB2 GLU 23 1.067 -7.425 -10.997 148 2HB GLU 23 HB1 GLU 23 1.048 -5.839 -10.226 149 1HG GLU 23 HG2 GLU 23 3.652 -6.514 -9.984 150 2HG GLU 23 HG1 GLU 23 3.229 -7.298 -11.503 151 H CYS 24 HN CYS 24 -0.258 -6.067 -7.856 152 HA CYS 24 HA CYS 24 1.108 -3.934 -6.780 153 1HB CYS 24 HB2 CYS 24 -1.296 -3.896 -6.970 154 2HB CYS 24 HB1 CYS 24 -1.443 -5.231 -5.832 155 H CYS 25 HN CYS 25 -0.126 -6.668 -4.929 156 HA CYS 25 HA CYS 25 1.134 -6.113 -2.531 157 1HB CYS 25 HB2 CYS 25 0.589 -8.302 -1.849 158 2HB CYS 25 HB1 CYS 25 -0.648 -7.872 -3.021 159 H GLY 26 HN GLY 26 2.471 -7.426 -5.440 160 1HA GLY 26 HA2 GLY 26 4.832 -8.506 -4.180 161 2HA GLY 26 HA1 GLY 26 4.546 -8.354 -5.906 162 H ASN 27 HN ASN 27 3.997 -5.557 -5.927 163 HA ASN 27 HA ASN 27 6.523 -4.519 -6.309 164 1HB ASN 27 HB2 ASN 27 3.896 -3.127 -5.836 165 2HB ASN 27 HB1 ASN 27 5.366 -2.278 -6.301 166 1HD2 ASN 27 HD21 ASN 27 6.433 -3.107 -8.298 167 2HD2 ASN 27 HD22 ASN 27 5.408 -3.577 -9.606 168 H LEU 28 HN LEU 28 4.338 -3.991 -3.607 169 HA LEU 28 HA LEU 28 5.832 -2.248 -2.110 170 1HB LEU 28 HB2 LEU 28 4.581 -2.935 -0.193 171 2HB LEU 28 HB1 LEU 28 3.521 -2.944 -1.591 172 HG LEU 28 HG LEU 28 4.263 -5.493 -1.660 173 1HD1 LEU 28 HD11 LEU 28 4.029 -5.404 1.248 174 2HD1 LEU 28 HD12 LEU 28 5.534 -4.720 0.632 175 3HD1 LEU 28 HD13 LEU 28 5.084 -6.375 0.221 176 1HD2 LEU 28 HD21 LEU 28 1.968 -4.339 -1.340 177 2HD2 LEU 28 HD22 LEU 28 2.203 -4.718 0.366 178 3HD2 LEU 28 HD23 LEU 28 2.163 -6.015 -0.827 179 H ARG 29 HN ARG 29 6.128 -5.722 -2.318 180 HA ARG 29 HA ARG 29 7.825 -6.201 -0.220 181 1HB ARG 29 HB2 ARG 29 7.813 -7.561 -2.904 182 2HB ARG 29 HB1 ARG 29 8.551 -8.206 -1.441 183 1HG ARG 29 HG2 ARG 29 5.686 -7.456 -1.351 184 2HG ARG 29 HG1 ARG 29 6.141 -8.934 -2.205 185 1HD ARG 29 HD2 ARG 29 6.791 -8.230 0.646 186 2HD ARG 29 HD1 ARG 29 5.580 -9.392 0.117 187 HE ARG 29 HE ARG 29 8.464 -9.751 0.118 188 1HH1 ARG 29 HH11 ARG 29 5.348 -10.979 -0.876 189 2HH1 ARG 29 HH12 ARG 29 5.925 -12.592 -1.118 190 1HH2 ARG 29 HH21 ARG 29 9.220 -11.871 -0.205 191 2HH2 ARG 29 HH22 ARG 29 8.121 -13.099 -0.738 192 H ALA 30 HN ALA 30 8.654 -5.303 -3.505 193 HA ALA 30 HA ALA 30 11.402 -5.395 -3.320 194 1HB ALA 30 HB1 ALA 30 9.693 -3.424 -4.830 195 2HB ALA 30 HB2 ALA 30 10.326 -4.956 -5.432 196 3HB ALA 30 HB3 ALA 30 11.428 -3.629 -5.066 197 H GLN 31 HN GLN 31 9.129 -3.186 -1.970 198 HA GLN 31 HA GLN 31 11.097 -1.211 -1.203 199 1HB GLN 31 HB2 GLN 31 8.297 -1.357 -0.120 200 2HB GLN 31 HB1 GLN 31 9.313 0.057 -0.355 201 1HG GLN 31 HG2 GLN 31 9.115 -0.726 -2.890 202 2HG GLN 31 HG1 GLN 31 7.605 -1.397 -2.277 203 1HE2 GLN 31 HE21 GLN 31 9.368 1.461 -3.048 204 2HE2 GLN 31 HE22 GLN 31 8.067 2.586 -2.810 205 H GLN 32 HN GLN 32 8.700 -2.892 0.794 206 HA GLN 32 HA GLN 32 8.768 -3.614 2.947 207 1HB GLN 32 HB2 GLN 32 10.505 -5.086 1.401 208 2HB GLN 32 HB1 GLN 32 11.477 -4.677 2.808 209 1HG GLN 32 HG2 GLN 32 10.340 -6.064 4.141 210 2HG GLN 32 HG1 GLN 32 8.783 -5.597 3.458 211 1HE2 GLN 32 HE21 GLN 32 8.085 -6.625 1.513 212 2HE2 GLN 32 HE22 GLN 32 8.679 -8.189 1.090 213 H GLY 33 HN GLY 33 10.092 -0.957 2.276 214 1HA GLY 33 HA2 GLY 33 11.509 -0.675 4.848 215 2HA GLY 33 HA1 GLY 33 12.117 0.091 3.385 216 H CYS 34 HN CYS 34 10.815 1.751 2.388 217 HA CYS 34 HA CYS 34 9.771 3.589 4.197 218 1HB CYS 34 HB2 CYS 34 10.685 3.900 1.778 219 2HB CYS 34 HB1 CYS 34 9.004 3.649 1.346 220 H PHE 35 HN PHE 35 8.329 1.152 2.233 221 HA PHE 35 HA PHE 35 5.641 1.842 2.374 222 1HB PHE 35 HB2 PHE 35 5.950 0.120 0.903 223 2HB PHE 35 HB1 PHE 35 7.212 -0.613 1.881 224 HD1 PHE 35 HD1 PHE 35 3.664 0.126 2.769 225 HD2 PHE 35 HD2 PHE 35 6.637 -2.829 2.031 226 HE1 PHE 35 HE1 PHE 35 2.095 -1.631 3.485 227 HE2 PHE 35 HE2 PHE 35 5.075 -4.590 2.742 228 HZ PHE 35 HZ PHE 35 2.802 -3.991 3.476 229 H CYS 36 HN CYS 36 7.683 0.166 4.641 230 HA CYS 36 HA CYS 36 5.597 -0.588 6.436 231 1HB CYS 36 HB2 CYS 36 8.187 -1.342 6.157 232 2HB CYS 36 HB1 CYS 36 8.321 -0.253 7.534 233 H GLN 37 HN GLN 37 8.064 1.982 6.549 234 HA GLN 37 HA GLN 37 7.052 3.144 8.904 235 1HB GLN 37 HB2 GLN 37 8.540 5.070 8.296 236 2HB GLN 37 HB1 GLN 37 9.349 3.514 8.401 237 1HG GLN 37 HG2 GLN 37 9.724 3.398 6.149 238 2HG GLN 37 HG1 GLN 37 8.350 4.429 5.755 239 1HE2 GLN 37 HE21 GLN 37 10.646 4.936 4.482 240 2HE2 GLN 37 HE22 GLN 37 11.389 6.373 5.086 241 H TYR 38 HN TYR 38 6.223 3.406 5.586 242 HA TYR 38 HA TYR 38 5.131 5.951 5.422 243 1HB TYR 38 HB2 TYR 38 4.982 3.492 3.916 244 2HB TYR 38 HB1 TYR 38 3.404 4.270 3.966 245 HD1 TYR 38 HD1 TYR 38 3.778 7.031 3.727 246 HD2 TYR 38 HD2 TYR 38 6.129 3.947 1.978 247 HE1 TYR 38 HE1 TYR 38 4.482 8.582 1.953 248 HE2 TYR 38 HE2 TYR 38 6.840 5.489 0.200 249 HH TYR 38 HH TYR 38 5.639 7.780 -0.840 250 H ALA 39 HN ALA 39 4.036 3.198 7.178 251 HA ALA 39 HA ALA 39 1.317 3.643 7.368 252 1HB ALA 39 HB1 ALA 39 1.328 2.263 9.285 253 2HB ALA 39 HB2 ALA 39 3.008 2.662 9.646 254 3HB ALA 39 HB3 ALA 39 2.619 1.673 8.238 255 H LYS 40 HN LYS 40 3.884 5.524 8.637 256 HA LYS 40 HA LYS 40 2.173 6.828 10.607 257 1HB LYS 40 HB2 LYS 40 4.678 6.170 10.932 258 2HB LYS 40 HB1 LYS 40 4.997 7.645 10.030 259 1HG LYS 40 HG2 LYS 40 4.733 8.852 11.862 260 2HG LYS 40 HG1 LYS 40 3.095 8.229 12.064 261 1HD LYS 40 HD2 LYS 40 5.592 6.822 13.007 262 2HD LYS 40 HD1 LYS 40 4.562 7.828 14.029 263 1HE LYS 40 HE2 LYS 40 2.653 6.290 13.308 264 2HE LYS 40 HE1 LYS 40 3.911 5.208 12.711 265 1HZ LYS 40 HZ1 LYS 40 4.801 4.995 14.891 266 2HZ LYS 40 HZ2 LYS 40 3.136 4.721 15.004 267 3HZ LYS 40 HZ3 LYS 40 3.784 6.201 15.504 268 H ASP 41 HN ASP 41 3.413 7.275 7.437 269 HA ASP 41 HA ASP 41 3.391 10.045 7.181 270 1HB ASP 41 HB2 ASP 41 4.302 8.549 5.474 271 2HB ASP 41 HB1 ASP 41 2.682 7.942 5.124 272 HA PRO 42 HA PRO 42 -1.037 10.640 7.747 273 1HB PRO 42 HB2 PRO 42 -1.000 13.329 7.847 274 2HB PRO 42 HB1 PRO 42 -0.443 12.333 9.197 275 1HG PRO 42 HG2 PRO 42 1.157 13.732 7.089 276 2HG PRO 42 HG1 PRO 42 1.455 13.628 8.834 277 1HD PRO 42 HD2 PRO 42 2.730 12.063 6.999 278 2HD PRO 42 HD1 PRO 42 2.420 11.551 8.670 279 H THR 43 HN THR 43 0.814 12.648 5.454 280 HA THR 43 HA THR 43 -1.244 13.566 3.870 281 HB THR 43 HB THR 43 0.482 13.556 1.999 282 HG1 THR 43 HG1 THR 43 2.204 12.663 4.059 283 1HG2 THR 43 HG21 THR 43 1.043 14.826 4.649 284 2HG2 THR 43 HG22 THR 43 0.394 15.558 3.182 285 3HG2 THR 43 HG23 THR 43 2.090 15.081 3.254 286 H TYR 44 HN TYR 44 0.436 10.459 3.674 287 HA TYR 44 HA TYR 44 -1.328 9.615 1.501 288 1HB TYR 44 HB2 TYR 44 1.125 8.365 2.739 289 2HB TYR 44 HB1 TYR 44 0.144 7.557 1.521 290 HD1 TYR 44 HD1 TYR 44 0.575 7.912 -0.745 291 HD2 TYR 44 HD2 TYR 44 2.105 10.667 2.112 292 HE1 TYR 44 HE1 TYR 44 1.850 9.036 -2.522 293 HE2 TYR 44 HE2 TYR 44 3.384 11.800 0.344 294 HH TYR 44 HH TYR 44 4.282 11.347 -1.858 295 H GLY 45 HN GLY 45 -1.937 9.906 4.540 296 1HA GLY 45 HA2 GLY 45 -2.432 7.383 5.632 297 2HA GLY 45 HA1 GLY 45 -3.303 8.851 6.050 298 H GLN 46 HN GLN 46 -4.211 9.180 3.232 299 HA GLN 46 HA GLN 46 -6.636 7.720 3.475 300 1HB GLN 46 HB2 GLN 46 -5.891 10.012 2.179 301 2HB GLN 46 HB1 GLN 46 -6.044 8.881 0.841 302 1HG GLN 46 HG2 GLN 46 -8.311 8.488 1.288 303 2HG GLN 46 HG1 GLN 46 -8.204 9.212 2.893 304 1HE2 GLN 46 HE21 GLN 46 -9.259 11.047 2.977 305 2HE2 GLN 46 HE22 GLN 46 -9.320 12.255 1.731 306 H TYR 47 HN TYR 47 -3.627 7.189 1.859 307 HA TYR 47 HA TYR 47 -4.579 5.264 -0.019 308 1HB TYR 47 HB2 TYR 47 -2.394 6.695 -0.034 309 2HB TYR 47 HB1 TYR 47 -1.770 5.347 0.908 310 HD1 TYR 47 HD1 TYR 47 -3.035 6.370 -2.371 311 HD2 TYR 47 HD2 TYR 47 -1.366 3.197 -0.082 312 HE1 TYR 47 HE1 TYR 47 -2.581 5.122 -4.442 313 HE2 TYR 47 HE2 TYR 47 -0.907 1.940 -2.145 314 HH TYR 47 HH TYR 47 -1.597 1.818 -4.418 315 H ILE 48 HN ILE 48 -2.721 5.032 2.994 316 HA ILE 48 HA ILE 48 -2.731 2.203 3.060 317 HB ILE 48 HB ILE 48 -2.328 4.074 5.389 318 1HG1 ILE 48 HG12 ILE 48 -0.335 3.007 3.377 319 2HG1 ILE 48 HG11 ILE 48 -0.836 4.685 3.555 320 1HG2 ILE 48 HG21 ILE 48 -0.695 1.919 5.758 321 2HG2 ILE 48 HG22 ILE 48 -2.111 1.181 5.010 322 3HG2 ILE 48 HG23 ILE 48 -2.285 2.123 6.491 323 1HD1 ILE 48 HD11 ILE 48 0.772 3.037 5.481 324 2HD1 ILE 48 HD12 ILE 48 0.109 4.625 5.867 325 3HD1 ILE 48 HD13 ILE 48 1.291 4.455 4.569 326 H ARG 49 HN ARG 49 -4.729 4.668 4.654 327 HA ARG 49 HA ARG 49 -6.275 2.684 6.048 328 1HB ARG 49 HB2 ARG 49 -6.609 5.668 5.773 329 2HB ARG 49 HB1 ARG 49 -7.680 4.656 6.732 330 1HG ARG 49 HG2 ARG 49 -6.098 4.269 8.346 331 2HG ARG 49 HG1 ARG 49 -4.748 4.545 7.243 332 1HD ARG 49 HD2 ARG 49 -4.975 6.867 7.360 333 2HD ARG 49 HD1 ARG 49 -6.615 6.766 7.998 334 HE ARG 49 HE ARG 49 -5.142 5.597 9.934 335 1HH1 ARG 49 HH11 ARG 49 -4.867 8.646 8.258 336 2HH1 ARG 49 HH12 ARG 49 -4.137 9.461 9.599 337 1HH2 ARG 49 HH21 ARG 49 -4.185 6.669 11.702 338 2HH2 ARG 49 HH22 ARG 49 -3.749 8.339 11.555 339 H SER 50 HN SER 50 -6.244 2.569 3.130 340 HA SER 50 HA SER 50 -8.876 3.337 2.265 341 1HB SER 50 HB2 SER 50 -6.611 3.063 0.904 342 2HB SER 50 HB1 SER 50 -7.248 1.434 0.711 343 HG SER 50 HG SER 50 -8.219 2.410 -0.918 344 HA PRO 51 HA PRO 51 -10.861 -0.501 3.172 345 1HB PRO 51 HB2 PRO 51 -12.572 -0.640 0.954 346 2HB PRO 51 HB1 PRO 51 -12.896 0.189 2.474 347 1HG PRO 51 HG2 PRO 51 -12.474 1.355 -0.089 348 2HG PRO 51 HG1 PRO 51 -12.707 2.188 1.456 349 1HD PRO 51 HD2 PRO 51 -10.238 1.685 -0.055 350 2HD PRO 51 HD1 PRO 51 -10.567 2.898 1.198 351 H HIS 52 HN HIS 52 -10.131 -0.229 -0.275 352 HA HIS 52 HA HIS 52 -9.920 -3.074 -0.628 353 1HB HIS 52 HB2 HIS 52 -8.872 -1.316 -2.754 354 2HB HIS 52 HB1 HIS 52 -10.023 -2.644 -2.854 355 HD1 HIS 52 HD1 HIS 52 -10.168 0.452 -4.005 356 HD2 HIS 52 HD2 HIS 52 -12.357 -1.279 -0.929 357 HE1 HIS 52 HE1 HIS 52 -12.245 1.855 -3.774 358 HE2 HIS 52 HE2 HIS 52 -13.612 0.706 -2.005 359 H ALA 53 HN ALA 53 -7.779 -0.573 0.286 360 HA ALA 53 HA ALA 53 -5.377 -1.485 -0.771 361 1HB ALA 53 HB1 ALA 53 -5.992 0.121 1.681 362 2HB ALA 53 HB2 ALA 53 -5.406 0.692 0.119 363 3HB ALA 53 HB3 ALA 53 -4.343 -0.242 1.171 364 H ARG 54 HN ARG 54 -6.623 -1.935 2.490 365 HA ARG 54 HA ARG 54 -4.686 -3.714 3.370 366 1HB ARG 54 HB2 ARG 54 -7.547 -3.781 4.299 367 2HB ARG 54 HB1 ARG 54 -6.107 -4.195 5.216 368 1HG ARG 54 HG2 ARG 54 -5.786 -2.097 5.860 369 2HG ARG 54 HG1 ARG 54 -6.062 -1.462 4.238 370 1HD ARG 54 HD2 ARG 54 -8.412 -1.437 4.554 371 2HD ARG 54 HD1 ARG 54 -8.290 -2.390 6.033 372 HE ARG 54 HE ARG 54 -6.834 -0.123 6.509 373 1HH1 ARG 54 HH11 ARG 54 -10.135 -0.828 5.630 374 2HH1 ARG 54 HH12 ARG 54 -10.779 0.568 6.427 375 1HH2 ARG 54 HH21 ARG 54 -7.677 1.717 7.559 376 2HH2 ARG 54 HH22 ARG 54 -9.383 2.014 7.522 377 H ASP 55 HN ASP 55 -7.573 -4.246 1.523 378 HA ASP 55 HA ASP 55 -7.717 -7.039 1.815 379 1HB ASP 55 HB2 ASP 55 -9.460 -5.355 0.864 380 2HB ASP 55 HB1 ASP 55 -8.635 -5.689 -0.655 381 H THR 56 HN THR 56 -6.218 -4.998 -0.604 382 HA THR 56 HA THR 56 -5.322 -6.999 -2.308 383 HB THR 56 HB THR 56 -3.737 -4.537 -1.882 384 HG1 THR 56 HG1 THR 56 -5.270 -3.340 -2.969 385 1HG2 THR 56 HG21 THR 56 -2.866 -5.608 -3.703 386 2HG2 THR 56 HG22 THR 56 -4.055 -4.549 -4.462 387 3HG2 THR 56 HG23 THR 56 -4.430 -6.253 -4.200 388 H LEU 57 HN LEU 57 -3.608 -5.344 0.321 389 HA LEU 57 HA LEU 57 -1.263 -6.840 0.129 390 1HB LEU 57 HB2 LEU 57 -2.437 -4.950 1.996 391 2HB LEU 57 HB1 LEU 57 -1.330 -6.087 2.744 392 HG LEU 57 HG LEU 57 -0.052 -5.133 0.428 393 1HD1 LEU 57 HD11 LEU 57 -0.586 -2.702 1.981 394 2HD1 LEU 57 HD12 LEU 57 -1.930 -3.272 0.991 395 3HD1 LEU 57 HD13 LEU 57 -0.371 -2.919 0.244 396 1HD2 LEU 57 HD21 LEU 57 0.321 -5.118 3.333 397 2HD2 LEU 57 HD22 LEU 57 1.153 -3.820 2.477 398 3HD2 LEU 57 HD23 LEU 57 1.461 -5.501 2.043 399 H THR 58 HN THR 58 -4.111 -7.207 2.132 400 HA THR 58 HA THR 58 -3.212 -9.407 3.606 401 HB THR 58 HB THR 58 -6.037 -8.575 2.927 402 HG1 THR 58 HG1 THR 58 -4.803 -7.041 4.118 403 1HG2 THR 58 HG21 THR 58 -6.723 -9.799 4.919 404 2HG2 THR 58 HG22 THR 58 -5.081 -10.413 5.108 405 3HG2 THR 58 HG23 THR 58 -6.038 -10.873 3.700 406 H SER 59 HN SER 59 -5.015 -9.178 0.566 407 HA SER 59 HA SER 59 -5.648 -11.821 0.177 408 1HB SER 59 HB2 SER 59 -6.127 -9.740 -1.290 409 2HB SER 59 HB1 SER 59 -4.611 -10.179 -2.066 410 HG SER 59 HG SER 59 -6.633 -11.092 -2.967 411 H CYS 60 HN CYS 60 -2.658 -10.129 -0.310 412 HA CYS 60 HA CYS 60 -1.264 -12.402 -1.379 413 1HB CYS 60 HB2 CYS 60 -0.898 -9.721 -1.570 414 2HB CYS 60 HB1 CYS 60 0.257 -10.111 -0.306 415 H GLY 61 HN GLY 61 -1.468 -10.655 1.702 416 1HA GLY 61 HA2 GLY 61 -0.850 -11.264 3.822 417 2HA GLY 61 HA1 GLY 61 -0.882 -12.926 3.253 418 H LEU 62 HN LEU 62 1.164 -10.076 2.584 419 HA LEU 62 HA LEU 62 3.489 -11.823 3.032 420 1HB LEU 62 HB2 LEU 62 4.639 -9.774 1.783 421 2HB LEU 62 HB1 LEU 62 3.955 -11.143 0.937 422 HG LEU 62 HG LEU 62 1.792 -9.542 0.932 423 1HD1 LEU 62 HD11 LEU 62 3.273 -7.315 0.197 424 2HD1 LEU 62 HD12 LEU 62 3.988 -7.831 1.723 425 3HD1 LEU 62 HD13 LEU 62 2.262 -7.483 1.630 426 1HD2 LEU 62 HD21 LEU 62 2.292 -9.081 -1.320 427 2HD2 LEU 62 HD22 LEU 62 3.086 -10.615 -0.967 428 3HD2 LEU 62 HD23 LEU 62 4.030 -9.126 -1.029 429 H ALA 63 HN ALA 63 2.663 -8.358 3.331 430 HA ALA 63 HA ALA 63 3.744 -8.351 6.003 431 1HB ALA 63 HB1 ALA 63 5.390 -7.622 3.878 432 2HB ALA 63 HB2 ALA 63 5.677 -7.339 5.595 433 3HB ALA 63 HB3 ALA 63 4.887 -6.102 4.618 434 H VAL 64 HN VAL 64 2.680 -6.981 7.299 435 HA VAL 64 HA VAL 64 0.847 -5.084 6.053 436 HB VAL 64 HB VAL 64 -0.139 -6.952 7.433 437 1HG1 VAL 64 HG11 VAL 64 0.276 -7.220 9.635 438 2HG1 VAL 64 HG12 VAL 64 0.480 -5.491 9.919 439 3HG1 VAL 64 HG13 VAL 64 1.798 -6.431 9.219 440 1HG2 VAL 64 HG21 VAL 64 -1.709 -5.439 8.656 441 2HG2 VAL 64 HG22 VAL 64 -1.474 -5.029 6.957 442 3HG2 VAL 64 HG23 VAL 64 -0.665 -4.090 8.212 443 HA PRO 65 HA PRO 65 3.251 -1.738 7.692 444 1HB PRO 65 HB2 PRO 65 1.183 0.059 8.102 445 2HB PRO 65 HB1 PRO 65 2.005 -0.201 6.561 446 1HG PRO 65 HG2 PRO 65 -0.574 -1.340 7.553 447 2HG PRO 65 HG1 PRO 65 -0.173 -0.714 5.942 448 1HD PRO 65 HD2 PRO 65 -0.259 -3.339 6.399 449 2HD PRO 65 HD1 PRO 65 0.996 -2.644 5.352 450 H HIS 66 HN HIS 66 2.375 0.136 9.533 451 HA HIS 66 HA HIS 66 2.220 0.519 11.768 452 1HB HIS 66 HB2 HIS 66 0.516 -1.972 11.613 453 2HB HIS 66 HB1 HIS 66 0.712 -1.022 13.082 454 HD1 HIS 66 HD1 HIS 66 -1.240 -1.219 10.004 455 HD2 HIS 66 HD2 HIS 66 -0.337 1.683 12.833 456 HE1 HIS 66 HE1 HIS 66 -2.928 0.610 9.660 457 HE2 HIS 66 HE2 HIS 66 -2.424 2.308 11.447 458 H CYS 67 HN CYS 67 4.435 -1.007 10.694 459 HA CYS 67 HA CYS 67 5.073 -3.039 12.643 460 1HB CYS 67 HB2 CYS 67 7.266 -3.114 11.440 461 2HB CYS 67 HB1 CYS 67 5.872 -3.379 10.399 Start of MODEL 2 1 1H ALA 1 HT1 ALA 1 15.171 2.267 0.987 2 2H ALA 1 HT2 ALA 1 15.194 3.849 0.323 3 3H ALA 1 HT3 ALA 1 16.379 2.701 -0.148 4 HA ALA 1 HA ALA 1 14.971 2.679 -1.893 5 1HB ALA 1 HB1 ALA 1 14.288 0.512 -1.957 6 2HB ALA 1 HB2 ALA 1 13.511 0.593 -0.376 7 3HB ALA 1 HB3 ALA 1 15.265 0.443 -0.490 8 H CYS 2 HN CYS 2 13.663 4.424 -2.205 9 HA CYS 2 HA CYS 2 10.887 4.106 -1.398 10 1HB CYS 2 HB2 CYS 2 12.308 5.611 0.252 11 2HB CYS 2 HB1 CYS 2 12.051 6.827 -0.995 12 H GLN 3 HN GLN 3 11.003 3.614 -3.757 13 HA GLN 3 HA GLN 3 11.564 5.663 -5.637 14 1HB GLN 3 HB2 GLN 3 11.193 2.994 -5.831 15 2HB GLN 3 HB1 GLN 3 9.622 3.557 -6.384 16 1HG GLN 3 HG2 GLN 3 10.606 4.800 -8.160 17 2HG GLN 3 HG1 GLN 3 12.228 4.521 -7.528 18 1HE2 GLN 3 HE21 GLN 3 13.309 2.748 -8.140 19 2HE2 GLN 3 HE22 GLN 3 12.664 1.493 -9.137 20 H ALA 4 HN ALA 4 8.677 4.668 -3.915 21 HA ALA 4 HA ALA 4 6.619 5.610 -3.687 22 1HB ALA 4 HB1 ALA 4 6.541 7.878 -3.450 23 2HB ALA 4 HB2 ALA 4 7.512 8.175 -4.892 24 3HB ALA 4 HB3 ALA 4 8.288 7.638 -3.403 25 H SER 5 HN SER 5 7.615 4.496 -6.364 26 HA SER 5 HA SER 5 5.388 5.557 -7.967 27 1HB SER 5 HB2 SER 5 7.961 6.036 -8.625 28 2HB SER 5 HB1 SER 5 7.729 4.487 -9.436 29 HG SER 5 HG SER 5 6.208 6.857 -9.777 30 H GLN 6 HN GLN 6 7.192 2.804 -6.870 31 HA GLN 6 HA GLN 6 6.138 0.909 -8.663 32 1HB GLN 6 HB2 GLN 6 7.609 0.799 -6.073 33 2HB GLN 6 HB1 GLN 6 6.817 -0.661 -6.650 34 1HG GLN 6 HG2 GLN 6 8.075 -0.166 -8.860 35 2HG GLN 6 HG1 GLN 6 9.095 0.852 -7.845 36 1HE2 GLN 6 HE21 GLN 6 8.753 -2.160 -9.112 37 2HE2 GLN 6 HE22 GLN 6 9.738 -3.053 -8.010 38 H LEU 7 HN LEU 7 4.813 2.540 -5.994 39 HA LEU 7 HA LEU 7 2.782 0.482 -5.544 40 1HB LEU 7 HB2 LEU 7 2.822 3.023 -4.000 41 2HB LEU 7 HB1 LEU 7 2.394 1.405 -3.479 42 HG LEU 7 HG LEU 7 5.245 2.134 -4.108 43 1HD1 LEU 7 HD11 LEU 7 5.589 3.125 -2.116 44 2HD1 LEU 7 HD12 LEU 7 4.400 2.120 -1.287 45 3HD1 LEU 7 HD13 LEU 7 3.872 3.509 -2.236 46 1HD2 LEU 7 HD21 LEU 7 4.113 -0.270 -3.653 47 2HD2 LEU 7 HD22 LEU 7 4.502 0.208 -2.000 48 3HD2 LEU 7 HD23 LEU 7 5.775 0.128 -3.218 49 H ALA 8 HN ALA 8 3.240 3.607 -6.970 50 HA ALA 8 HA ALA 8 0.746 4.722 -6.939 51 1HB ALA 8 HB1 ALA 8 2.672 5.834 -7.916 52 2HB ALA 8 HB2 ALA 8 1.325 5.814 -9.054 53 3HB ALA 8 HB3 ALA 8 2.667 4.688 -9.256 54 H VAL 9 HN VAL 9 1.901 2.120 -8.958 55 HA VAL 9 HA VAL 9 -0.245 1.948 -10.721 56 HB VAL 9 HB VAL 9 1.871 0.773 -11.104 57 1HG1 VAL 9 HG11 VAL 9 1.020 -1.274 -9.081 58 2HG1 VAL 9 HG12 VAL 9 2.063 0.082 -8.652 59 3HG1 VAL 9 HG13 VAL 9 2.586 -1.083 -9.869 60 1HG2 VAL 9 HG21 VAL 9 -0.602 -0.063 -11.813 61 2HG2 VAL 9 HG22 VAL 9 0.015 -1.508 -11.011 62 3HG2 VAL 9 HG23 VAL 9 0.894 -0.812 -12.372 63 H CYS 10 HN CYS 10 0.097 0.955 -7.441 64 HA CYS 10 HA CYS 10 -2.186 -0.824 -7.462 65 1HB CYS 10 HB2 CYS 10 -0.049 -0.873 -5.933 66 2HB CYS 10 HB1 CYS 10 -0.960 0.276 -4.960 67 H ALA 11 HN ALA 11 -1.420 2.464 -6.623 68 HA ALA 11 HA ALA 11 -3.445 3.293 -5.024 69 1HB ALA 11 HB1 ALA 11 -3.142 5.239 -7.109 70 2HB ALA 11 HB2 ALA 11 -1.577 4.538 -6.696 71 3HB ALA 11 HB3 ALA 11 -2.566 5.287 -5.442 72 H SER 12 HN SER 12 -3.681 2.372 -8.349 73 HA SER 12 HA SER 12 -6.067 3.515 -9.119 74 1HB SER 12 HB2 SER 12 -4.989 0.774 -9.814 75 2HB SER 12 HB1 SER 12 -6.305 1.580 -10.667 76 HG SER 12 HG SER 12 -4.135 1.824 -11.587 77 H ALA 13 HN ALA 13 -5.524 0.526 -7.309 78 HA ALA 13 HA ALA 13 -8.331 -0.025 -7.072 79 1HB ALA 13 HB1 ALA 13 -7.737 -2.034 -6.089 80 2HB ALA 13 HB2 ALA 13 -6.233 -1.384 -5.437 81 3HB ALA 13 HB3 ALA 13 -6.375 -1.716 -7.163 82 H ILE 14 HN ILE 14 -5.899 1.622 -5.235 83 HA ILE 14 HA ILE 14 -7.170 1.521 -2.700 84 HB ILE 14 HB ILE 14 -5.046 3.286 -3.886 85 1HG1 ILE 14 HG12 ILE 14 -3.880 2.254 -1.770 86 2HG1 ILE 14 HG11 ILE 14 -5.187 1.077 -1.868 87 1HG2 ILE 14 HG21 ILE 14 -6.290 4.775 -2.456 88 2HG2 ILE 14 HG22 ILE 14 -4.772 4.345 -1.670 89 3HG2 ILE 14 HG23 ILE 14 -6.277 3.587 -1.151 90 1HD1 ILE 14 HD11 ILE 14 -3.277 0.206 -3.006 91 2HD1 ILE 14 HD12 ILE 14 -3.119 1.672 -3.971 92 3HD1 ILE 14 HD13 ILE 14 -4.504 0.605 -4.207 93 H LEU 15 HN LEU 15 -6.856 4.255 -4.976 94 HA LEU 15 HA LEU 15 -8.913 5.749 -3.673 95 1HB LEU 15 HB2 LEU 15 -7.443 6.132 -6.273 96 2HB LEU 15 HB1 LEU 15 -8.671 7.246 -5.705 97 HG LEU 15 HG LEU 15 -6.362 6.602 -3.922 98 1HD1 LEU 15 HD11 LEU 15 -5.125 8.495 -4.925 99 2HD1 LEU 15 HD12 LEU 15 -6.301 8.528 -6.238 100 3HD1 LEU 15 HD13 LEU 15 -5.277 7.111 -6.008 101 1HD2 LEU 15 HD21 LEU 15 -6.759 8.875 -3.146 102 2HD2 LEU 15 HD22 LEU 15 -8.241 7.922 -3.074 103 3HD2 LEU 15 HD23 LEU 15 -8.007 9.090 -4.374 104 H SER 16 HN SER 16 -8.857 5.037 -7.147 105 HA SER 16 HA SER 16 -11.611 5.165 -7.492 106 1HB SER 16 HB2 SER 16 -10.809 3.444 -9.491 107 2HB SER 16 HB1 SER 16 -10.739 5.204 -9.572 108 HG SER 16 HG SER 16 -8.720 3.420 -9.504 109 H GLY 17 HN GLY 17 -9.655 2.173 -7.516 110 1HA GLY 17 HA2 GLY 17 -10.201 0.236 -6.241 111 2HA GLY 17 HA1 GLY 17 -11.855 0.815 -6.124 112 H ALA 18 HN ALA 18 -9.931 0.639 -9.070 113 HA ALA 18 HA ALA 18 -11.933 -0.553 -10.594 114 1HB ALA 18 HB1 ALA 18 -10.518 0.040 -12.193 115 2HB ALA 18 HB2 ALA 18 -9.447 -1.279 -11.722 116 3HB ALA 18 HB3 ALA 18 -9.256 0.316 -10.993 117 H LYS 19 HN LYS 19 -8.885 -2.198 -10.059 118 HA LYS 19 HA LYS 19 -10.091 -4.522 -8.901 119 1HB LYS 19 HB2 LYS 19 -8.847 -4.744 -11.648 120 2HB LYS 19 HB1 LYS 19 -9.453 -6.077 -10.676 121 1HG LYS 19 HG2 LYS 19 -11.224 -5.796 -12.054 122 2HG LYS 19 HG1 LYS 19 -11.681 -4.663 -10.786 123 1HD LYS 19 HD2 LYS 19 -11.963 -3.312 -12.604 124 2HD LYS 19 HD1 LYS 19 -10.257 -2.997 -12.278 125 1HE LYS 19 HE2 LYS 19 -9.908 -5.055 -13.873 126 2HE LYS 19 HE1 LYS 19 -11.515 -4.610 -14.446 127 1HZ LYS 19 HZ1 LYS 19 -10.746 -2.755 -15.423 128 2HZ LYS 19 HZ2 LYS 19 -9.261 -3.565 -15.401 129 3HZ LYS 19 HZ3 LYS 19 -9.621 -2.426 -14.203 130 HA PRO 20 HA PRO 20 -6.003 -4.791 -7.234 131 1HB PRO 20 HB2 PRO 20 -5.956 -7.403 -6.487 132 2HB PRO 20 HB1 PRO 20 -6.869 -6.169 -5.612 133 1HG PRO 20 HG2 PRO 20 -7.829 -8.160 -7.631 134 2HG PRO 20 HG1 PRO 20 -8.577 -7.669 -6.100 135 1HD PRO 20 HD2 PRO 20 -9.401 -6.709 -8.491 136 2HD PRO 20 HD1 PRO 20 -9.461 -5.741 -7.004 137 H SER 21 HN SER 21 -4.115 -6.570 -7.287 138 HA SER 21 HA SER 21 -3.795 -8.107 -9.625 139 1HB SER 21 HB2 SER 21 -1.899 -6.551 -10.544 140 2HB SER 21 HB1 SER 21 -3.578 -6.223 -10.973 141 HG SER 21 HG SER 21 -1.895 -4.591 -9.809 142 H GLY 22 HN GLY 22 -2.055 -9.441 -9.452 143 1HA GLY 22 HA2 GLY 22 -0.779 -9.736 -6.986 144 2HA GLY 22 HA1 GLY 22 -0.254 -10.485 -8.486 145 H GLU 23 HN GLU 23 0.111 -7.810 -9.754 146 HA GLU 23 HA GLU 23 2.814 -7.477 -9.390 147 1HB GLU 23 HB2 GLU 23 1.136 -6.549 -11.174 148 2HB GLU 23 HB1 GLU 23 1.075 -5.146 -10.106 149 1HG GLU 23 HG2 GLU 23 3.714 -5.445 -10.281 150 2HG GLU 23 HG1 GLU 23 3.241 -6.136 -11.830 151 H CYS 24 HN CYS 24 0.139 -5.765 -7.821 152 HA CYS 24 HA CYS 24 1.580 -3.848 -6.452 153 1HB CYS 24 HB2 CYS 24 -0.889 -3.900 -6.605 154 2HB CYS 24 HB1 CYS 24 -0.911 -5.259 -5.486 155 H CYS 25 HN CYS 25 1.377 -7.234 -5.887 156 HA CYS 25 HA CYS 25 2.229 -7.139 -3.143 157 1HB CYS 25 HB2 CYS 25 2.065 -9.409 -5.132 158 2HB CYS 25 HB1 CYS 25 2.557 -9.614 -3.456 159 H GLY 26 HN GLY 26 3.765 -7.886 -6.255 160 1HA GLY 26 HA2 GLY 26 6.339 -8.374 -5.114 161 2HA GLY 26 HA1 GLY 26 5.984 -8.147 -6.820 162 H ASN 27 HN ASN 27 4.767 -5.541 -6.502 163 HA ASN 27 HA ASN 27 7.035 -3.944 -6.755 164 1HB ASN 27 HB2 ASN 27 4.145 -3.212 -6.335 165 2HB ASN 27 HB1 ASN 27 5.404 -2.031 -6.681 166 1HD2 ASN 27 HD21 ASN 27 6.766 -2.638 -8.651 167 2HD2 ASN 27 HD22 ASN 27 5.885 -3.166 -10.039 168 H LEU 28 HN LEU 28 4.564 -3.845 -4.251 169 HA LEU 28 HA LEU 28 5.822 -2.094 -2.533 170 1HB LEU 28 HB2 LEU 28 4.238 -2.642 -0.947 171 2HB LEU 28 HB1 LEU 28 3.442 -3.069 -2.450 172 HG LEU 28 HG LEU 28 4.491 -5.438 -1.923 173 1HD1 LEU 28 HD11 LEU 28 5.402 -4.159 0.259 174 2HD1 LEU 28 HD12 LEU 28 5.049 -5.885 0.214 175 3HD1 LEU 28 HD13 LEU 28 3.863 -4.761 0.873 176 1HD2 LEU 28 HD21 LEU 28 2.132 -4.835 -0.243 177 2HD2 LEU 28 HD22 LEU 28 2.370 -6.092 -1.457 178 3HD2 LEU 28 HD23 LEU 28 2.012 -4.440 -1.958 179 H ARG 29 HN ARG 29 6.329 -5.485 -3.014 180 HA ARG 29 HA ARG 29 7.735 -6.102 -0.710 181 1HB ARG 29 HB2 ARG 29 7.280 -7.300 -3.317 182 2HB ARG 29 HB1 ARG 29 8.886 -7.658 -2.702 183 1HG ARG 29 HG2 ARG 29 7.016 -9.300 -2.187 184 2HG ARG 29 HG1 ARG 29 8.057 -8.804 -0.856 185 1HD ARG 29 HD2 ARG 29 5.789 -7.038 -1.127 186 2HD ARG 29 HD1 ARG 29 5.273 -8.714 -0.953 187 HE ARG 29 HE ARG 29 6.322 -7.065 1.084 188 1HH1 ARG 29 HH11 ARG 29 6.460 -10.346 -0.098 189 2HH1 ARG 29 HH12 ARG 29 6.820 -11.022 1.454 190 1HH2 ARG 29 HH21 ARG 29 6.795 -7.953 3.127 191 2HH2 ARG 29 HH22 ARG 29 7.009 -9.665 3.285 192 H ALA 30 HN ALA 30 8.895 -4.976 -3.824 193 HA ALA 30 HA ALA 30 11.605 -5.040 -3.397 194 1HB ALA 30 HB1 ALA 30 11.792 -3.808 -5.284 195 2HB ALA 30 HB2 ALA 30 10.611 -2.614 -4.748 196 3HB ALA 30 HB3 ALA 30 10.067 -4.155 -5.411 197 H GLN 31 HN GLN 31 9.230 -2.975 -1.995 198 HA GLN 31 HA GLN 31 11.121 -1.018 -1.032 199 1HB GLN 31 HB2 GLN 31 8.344 -1.275 0.054 200 2HB GLN 31 HB1 GLN 31 9.305 0.171 -0.216 201 1HG GLN 31 HG2 GLN 31 8.965 -0.895 -2.747 202 2HG GLN 31 HG1 GLN 31 7.411 -1.145 -1.953 203 1HE2 GLN 31 HE21 GLN 31 9.670 1.161 -3.175 204 2HE2 GLN 31 HE22 GLN 31 8.652 2.558 -3.014 205 H GLN 32 HN GLN 32 8.754 -2.950 0.785 206 HA GLN 32 HA GLN 32 8.823 -3.789 2.902 207 1HB GLN 32 HB2 GLN 32 10.549 -5.148 1.304 208 2HB GLN 32 HB1 GLN 32 11.601 -4.702 2.639 209 1HG GLN 32 HG2 GLN 32 10.743 -6.293 3.914 210 2HG GLN 32 HG1 GLN 32 9.112 -5.676 3.654 211 1HE2 GLN 32 HE21 GLN 32 8.562 -6.121 1.121 212 2HE2 GLN 32 HE22 GLN 32 8.662 -7.799 0.723 213 H GLY 33 HN GLY 33 10.030 -1.042 2.432 214 1HA GLY 33 HA2 GLY 33 11.224 -0.817 5.097 215 2HA GLY 33 HA1 GLY 33 12.142 -0.197 3.732 216 H CYS 34 HN CYS 34 11.171 1.525 2.454 217 HA CYS 34 HA CYS 34 10.180 3.596 4.006 218 1HB CYS 34 HB2 CYS 34 11.331 3.600 1.661 219 2HB CYS 34 HB1 CYS 34 9.670 3.527 1.100 220 H PHE 35 HN PHE 35 8.608 1.236 2.028 221 HA PHE 35 HA PHE 35 6.038 2.286 1.906 222 1HB PHE 35 HB2 PHE 35 6.060 0.503 0.531 223 2HB PHE 35 HB1 PHE 35 7.344 -0.273 1.443 224 HD1 PHE 35 HD1 PHE 35 6.735 -2.455 1.690 225 HD2 PHE 35 HD2 PHE 35 3.842 0.573 2.444 226 HE1 PHE 35 HE1 PHE 35 5.152 -4.171 2.456 227 HE2 PHE 35 HE2 PHE 35 2.252 -1.138 3.222 228 HZ PHE 35 HZ PHE 35 2.906 -3.512 3.232 229 H CYS 36 HN CYS 36 7.535 0.237 4.313 230 HA CYS 36 HA CYS 36 5.252 -0.095 5.946 231 1HB CYS 36 HB2 CYS 36 7.145 -1.585 6.189 232 2HB CYS 36 HB1 CYS 36 8.197 -0.242 6.623 233 H GLN 37 HN GLN 37 7.721 2.388 5.757 234 HA GLN 37 HA GLN 37 7.265 3.691 8.161 235 1HB GLN 37 HB2 GLN 37 8.082 4.910 5.529 236 2HB GLN 37 HB1 GLN 37 8.269 5.665 7.104 237 1HG GLN 37 HG2 GLN 37 9.792 3.865 7.774 238 2HG GLN 37 HG1 GLN 37 9.627 3.147 6.171 239 1HE2 GLN 37 HE21 GLN 37 9.722 5.318 4.547 240 2HE2 GLN 37 HE22 GLN 37 11.267 6.083 4.666 241 H TYR 38 HN TYR 38 5.579 3.878 5.120 242 HA TYR 38 HA TYR 38 4.064 6.191 5.626 243 1HB TYR 38 HB2 TYR 38 3.553 3.807 3.851 244 2HB TYR 38 HB1 TYR 38 2.480 5.202 3.904 245 HD1 TYR 38 HD1 TYR 38 3.996 7.525 3.814 246 HD2 TYR 38 HD2 TYR 38 4.940 3.788 2.021 247 HE1 TYR 38 HE1 TYR 38 5.419 8.678 2.174 248 HE2 TYR 38 HE2 TYR 38 6.370 4.928 0.377 249 HH TYR 38 HH TYR 38 7.530 7.908 0.703 250 H ALA 39 HN ALA 39 3.887 3.101 7.034 251 HA ALA 39 HA ALA 39 1.247 2.635 7.527 252 1HB ALA 39 HB1 ALA 39 2.047 1.689 9.751 253 2HB ALA 39 HB2 ALA 39 3.655 2.223 9.265 254 3HB ALA 39 HB3 ALA 39 2.787 1.038 8.289 255 H LYS 40 HN LYS 40 3.243 5.131 8.859 256 HA LYS 40 HA LYS 40 0.970 6.062 10.480 257 1HB LYS 40 HB2 LYS 40 3.800 5.753 11.130 258 2HB LYS 40 HB1 LYS 40 3.181 7.353 11.512 259 1HG LYS 40 HG2 LYS 40 1.635 6.527 13.042 260 2HG LYS 40 HG1 LYS 40 1.725 4.889 12.389 261 1HD LYS 40 HD2 LYS 40 4.050 6.254 13.730 262 2HD LYS 40 HD1 LYS 40 2.882 5.263 14.605 263 1HE LYS 40 HE2 LYS 40 3.435 3.475 12.809 264 2HE LYS 40 HE1 LYS 40 4.879 4.449 12.529 265 1HZ LYS 40 HZ1 LYS 40 4.987 2.538 14.215 266 2HZ LYS 40 HZ2 LYS 40 4.162 3.585 15.256 267 3HZ LYS 40 HZ3 LYS 40 5.676 4.023 14.643 268 H ASP 41 HN ASP 41 3.385 6.876 8.140 269 HA ASP 41 HA ASP 41 3.233 9.667 8.199 270 1HB ASP 41 HB2 ASP 41 4.846 8.117 6.896 271 2HB ASP 41 HB1 ASP 41 3.600 8.122 5.646 272 HA PRO 42 HA PRO 42 -0.999 9.827 6.597 273 1HB PRO 42 HB2 PRO 42 -1.216 12.497 7.595 274 2HB PRO 42 HB1 PRO 42 -1.913 11.027 8.274 275 1HG PRO 42 HG2 PRO 42 0.082 12.537 9.458 276 2HG PRO 42 HG1 PRO 42 -0.279 10.846 9.839 277 1HD PRO 42 HD2 PRO 42 1.871 11.985 8.108 278 2HD PRO 42 HD1 PRO 42 1.915 10.578 9.193 279 H THR 43 HN THR 43 1.304 10.427 4.912 280 HA THR 43 HA THR 43 1.042 12.982 3.732 281 HB THR 43 HB THR 43 2.281 11.851 1.795 282 HG1 THR 43 HG1 THR 43 2.614 9.743 3.640 283 1HG2 THR 43 HG21 THR 43 4.132 11.180 3.798 284 2HG2 THR 43 HG22 THR 43 3.214 12.566 4.388 285 3HG2 THR 43 HG23 THR 43 4.049 12.656 2.837 286 H TYR 44 HN TYR 44 -0.380 9.835 3.052 287 HA TYR 44 HA TYR 44 -1.887 10.966 0.810 288 1HB TYR 44 HB2 TYR 44 -1.920 8.089 1.714 289 2HB TYR 44 HB1 TYR 44 -2.364 8.739 0.140 290 HD1 TYR 44 HD1 TYR 44 -0.556 9.634 -1.362 291 HD2 TYR 44 HD2 TYR 44 0.308 7.458 2.191 292 HE1 TYR 44 HE1 TYR 44 1.722 9.207 -2.184 293 HE2 TYR 44 HE2 TYR 44 2.589 7.027 1.379 294 HH TYR 44 HH TYR 44 3.906 8.636 -1.346 295 H GLY 45 HN GLY 45 -2.498 8.976 3.710 296 1HA GLY 45 HA2 GLY 45 -4.217 9.207 5.260 297 2HA GLY 45 HA1 GLY 45 -4.887 10.506 4.285 298 H GLN 46 HN GLN 46 -5.510 9.497 1.946 299 HA GLN 46 HA GLN 46 -7.702 7.767 2.525 300 1HB GLN 46 HB2 GLN 46 -6.677 8.776 -0.131 301 2HB GLN 46 HB1 GLN 46 -8.224 7.983 0.132 302 1HG GLN 46 HG2 GLN 46 -9.071 9.799 1.353 303 2HG GLN 46 HG1 GLN 46 -7.472 10.513 1.555 304 1HE2 GLN 46 HE21 GLN 46 -6.368 11.079 -0.544 305 2HE2 GLN 46 HE22 GLN 46 -7.353 11.832 -1.760 306 H TYR 47 HN TYR 47 -4.466 7.315 1.466 307 HA TYR 47 HA TYR 47 -4.906 4.783 0.188 308 1HB TYR 47 HB2 TYR 47 -2.997 6.516 -0.198 309 2HB TYR 47 HB1 TYR 47 -2.253 5.675 1.156 310 HD1 TYR 47 HD1 TYR 47 -2.664 5.711 -2.345 311 HD2 TYR 47 HD2 TYR 47 -2.079 3.086 0.951 312 HE1 TYR 47 HE1 TYR 47 -1.813 3.985 -3.878 313 HE2 TYR 47 HE2 TYR 47 -1.228 1.352 -0.571 314 HH TYR 47 HH TYR 47 -1.349 0.741 -2.918 315 H ILE 48 HN ILE 48 -3.356 5.813 3.216 316 HA ILE 48 HA ILE 48 -2.869 3.206 4.162 317 HB ILE 48 HB ILE 48 -3.191 5.740 5.772 318 1HG1 ILE 48 HG12 ILE 48 -1.463 5.883 3.998 319 2HG1 ILE 48 HG11 ILE 48 -0.774 5.947 5.617 320 1HG2 ILE 48 HG21 ILE 48 -2.959 3.102 6.653 321 2HG2 ILE 48 HG22 ILE 48 -2.733 4.568 7.606 322 3HG2 ILE 48 HG23 ILE 48 -1.348 3.794 6.836 323 1HD1 ILE 48 HD11 ILE 48 -0.424 3.966 3.492 324 2HD1 ILE 48 HD12 ILE 48 -0.653 3.290 5.105 325 3HD1 ILE 48 HD13 ILE 48 0.656 4.433 4.805 326 H ARG 49 HN ARG 49 -5.343 5.552 5.240 327 HA ARG 49 HA ARG 49 -6.775 3.471 6.618 328 1HB ARG 49 HB2 ARG 49 -7.561 6.345 6.114 329 2HB ARG 49 HB1 ARG 49 -8.361 5.242 7.225 330 1HG ARG 49 HG2 ARG 49 -6.315 5.103 8.559 331 2HG ARG 49 HG1 ARG 49 -5.523 6.223 7.449 332 1HD ARG 49 HD2 ARG 49 -6.699 8.026 8.209 333 2HD ARG 49 HD1 ARG 49 -8.105 7.059 8.652 334 HE ARG 49 HE ARG 49 -5.847 7.699 10.311 335 1HH1 ARG 49 HH11 ARG 49 -8.459 5.447 9.779 336 2HH1 ARG 49 HH12 ARG 49 -8.498 4.911 11.425 337 1HH2 ARG 49 HH21 ARG 49 -5.896 6.994 12.476 338 2HH2 ARG 49 HH22 ARG 49 -7.043 5.789 12.957 339 H SER 50 HN SER 50 -6.483 3.150 3.761 340 HA SER 50 HA SER 50 -9.054 3.655 2.582 341 1HB SER 50 HB2 SER 50 -6.655 3.443 1.477 342 2HB SER 50 HB1 SER 50 -7.153 1.758 1.370 343 HG SER 50 HG SER 50 -8.632 3.964 0.386 344 HA PRO 51 HA PRO 51 -10.902 -0.162 3.844 345 1HB PRO 51 HB2 PRO 51 -12.969 -0.286 2.146 346 2HB PRO 51 HB1 PRO 51 -12.875 0.962 3.395 347 1HG PRO 51 HG2 PRO 51 -12.246 1.151 0.476 348 2HG PRO 51 HG1 PRO 51 -13.104 2.304 1.513 349 1HD PRO 51 HD2 PRO 51 -10.454 2.532 0.806 350 2HD PRO 51 HD1 PRO 51 -11.163 3.249 2.266 351 H HIS 52 HN HIS 52 -10.446 0.243 0.336 352 HA HIS 52 HA HIS 52 -10.477 -2.591 -0.136 353 1HB HIS 52 HB2 HIS 52 -9.523 -0.542 -2.114 354 2HB HIS 52 HB1 HIS 52 -10.312 -2.085 -2.423 355 HD1 HIS 52 HD1 HIS 52 -12.923 -2.112 -1.405 356 HD2 HIS 52 HD2 HIS 52 -11.208 1.547 -2.376 357 HE1 HIS 52 HE1 HIS 52 -14.848 -0.516 -1.671 358 HE2 HIS 52 HE2 HIS 52 -13.781 1.711 -2.171 359 H ALA 53 HN ALA 53 -8.047 -0.157 0.347 360 HA ALA 53 HA ALA 53 -5.843 -1.446 -0.732 361 1HB ALA 53 HB1 ALA 53 -5.912 0.922 0.034 362 2HB ALA 53 HB2 ALA 53 -4.479 0.031 0.547 363 3HB ALA 53 HB3 ALA 53 -5.790 0.325 1.690 364 H ARG 54 HN ARG 54 -6.925 -1.404 2.615 365 HA ARG 54 HA ARG 54 -5.058 -3.132 3.680 366 1HB ARG 54 HB2 ARG 54 -7.784 -2.267 4.454 367 2HB ARG 54 HB1 ARG 54 -7.159 -3.707 5.246 368 1HG ARG 54 HG2 ARG 54 -5.702 -2.547 6.489 369 2HG ARG 54 HG1 ARG 54 -5.290 -1.452 5.168 370 1HD ARG 54 HD2 ARG 54 -6.424 -0.358 7.108 371 2HD ARG 54 HD1 ARG 54 -7.235 -0.128 5.559 372 HE ARG 54 HE ARG 54 -8.472 -2.301 6.599 373 1HH1 ARG 54 HH11 ARG 54 -7.825 0.902 7.824 374 2HH1 ARG 54 HH12 ARG 54 -9.239 0.941 8.823 375 1HH2 ARG 54 HH21 ARG 54 -10.332 -2.251 7.913 376 2HH2 ARG 54 HH22 ARG 54 -10.662 -0.849 8.875 377 H ASP 55 HN ASP 55 -8.015 -3.827 1.979 378 HA ASP 55 HA ASP 55 -8.072 -6.597 2.522 379 1HB ASP 55 HB2 ASP 55 -9.942 -5.032 1.600 380 2HB ASP 55 HB1 ASP 55 -9.237 -5.463 0.046 381 H THR 56 HN THR 56 -6.784 -4.675 -0.091 382 HA THR 56 HA THR 56 -5.985 -6.741 -1.768 383 HB THR 56 HB THR 56 -4.412 -4.244 -1.566 384 HG1 THR 56 HG1 THR 56 -7.049 -4.434 -2.564 385 1HG2 THR 56 HG21 THR 56 -3.688 -4.897 -3.544 386 2HG2 THR 56 HG22 THR 56 -5.323 -4.676 -4.166 387 3HG2 THR 56 HG23 THR 56 -4.818 -6.250 -3.551 388 H LEU 57 HN LEU 57 -4.137 -4.952 0.678 389 HA LEU 57 HA LEU 57 -1.774 -6.401 0.388 390 1HB LEU 57 HB2 LEU 57 -2.864 -4.462 2.242 391 2HB LEU 57 HB1 LEU 57 -1.757 -5.588 3.008 392 HG LEU 57 HG LEU 57 -0.566 -4.687 0.595 393 1HD1 LEU 57 HD11 LEU 57 -1.676 -2.488 2.321 394 2HD1 LEU 57 HD12 LEU 57 -1.956 -2.750 0.600 395 3HD1 LEU 57 HD13 LEU 57 -0.358 -2.268 1.169 396 1HD2 LEU 57 HD21 LEU 57 1.069 -3.693 2.264 397 2HD2 LEU 57 HD22 LEU 57 0.781 -5.429 2.372 398 3HD2 LEU 57 HD23 LEU 57 0.009 -4.334 3.519 399 H THR 58 HN THR 58 -4.455 -6.758 2.612 400 HA THR 58 HA THR 58 -3.434 -8.911 4.064 401 HB THR 58 HB THR 58 -6.325 -8.203 3.538 402 HG1 THR 58 HG1 THR 58 -5.841 -6.555 4.722 403 1HG2 THR 58 HG21 THR 58 -7.005 -9.591 5.180 404 2HG2 THR 58 HG22 THR 58 -5.489 -9.463 6.072 405 3HG2 THR 58 HG23 THR 58 -5.591 -10.502 4.651 406 H SER 59 HN SER 59 -5.454 -8.799 1.155 407 HA SER 59 HA SER 59 -6.050 -11.465 0.882 408 1HB SER 59 HB2 SER 59 -6.701 -9.440 -0.593 409 2HB SER 59 HB1 SER 59 -5.236 -9.854 -1.473 410 HG SER 59 HG SER 59 -6.104 -11.943 -1.798 411 H CYS 60 HN CYS 60 -3.151 -9.724 0.083 412 HA CYS 60 HA CYS 60 -1.812 -12.014 -1.023 413 1HB CYS 60 HB2 CYS 60 -1.507 -9.355 -1.385 414 2HB CYS 60 HB1 CYS 60 -0.262 -9.640 -0.178 415 H GLY 61 HN GLY 61 -1.919 -10.273 2.045 416 1HA GLY 61 HA2 GLY 61 -1.019 -10.757 4.101 417 2HA GLY 61 HA1 GLY 61 -1.079 -12.438 3.588 418 H LEU 62 HN LEU 62 0.817 -9.696 2.363 419 HA LEU 62 HA LEU 62 3.230 -11.307 2.820 420 1HB LEU 62 HB2 LEU 62 4.271 -9.843 1.069 421 2HB LEU 62 HB1 LEU 62 3.009 -10.920 0.507 422 HG LEU 62 HG LEU 62 1.442 -8.882 0.746 423 1HD1 LEU 62 HD11 LEU 62 3.909 -7.732 1.591 424 2HD1 LEU 62 HD12 LEU 62 2.318 -6.981 1.473 425 3HD1 LEU 62 HD13 LEU 62 3.405 -6.966 0.086 426 1HD2 LEU 62 HD21 LEU 62 2.676 -9.982 -1.349 427 2HD2 LEU 62 HD22 LEU 62 3.398 -8.374 -1.412 428 3HD2 LEU 62 HD23 LEU 62 1.647 -8.556 -1.485 429 H ALA 63 HN ALA 63 1.914 -8.036 3.104 430 HA ALA 63 HA ALA 63 3.746 -7.530 5.276 431 1HB ALA 63 HB1 ALA 63 4.372 -5.291 4.262 432 2HB ALA 63 HB2 ALA 63 3.768 -5.935 2.735 433 3HB ALA 63 HB3 ALA 63 5.121 -6.720 3.550 434 H VAL 64 HN VAL 64 3.222 -5.595 6.491 435 HA VAL 64 HA VAL 64 0.683 -4.339 5.972 436 HB VAL 64 HB VAL 64 0.840 -6.558 7.699 437 1HG1 VAL 64 HG11 VAL 64 1.679 -5.160 9.480 438 2HG1 VAL 64 HG12 VAL 64 0.019 -5.641 9.829 439 3HG1 VAL 64 HG13 VAL 64 0.360 -4.014 9.242 440 1HG2 VAL 64 HG21 VAL 64 -1.600 -5.438 8.207 441 2HG2 VAL 64 HG22 VAL 64 -1.213 -6.463 6.826 442 3HG2 VAL 64 HG23 VAL 64 -1.164 -4.708 6.662 443 HA PRO 65 HA PRO 65 2.677 -0.925 7.959 444 1HB PRO 65 HB2 PRO 65 0.661 0.504 8.955 445 2HB PRO 65 HB1 PRO 65 0.783 0.224 7.210 446 1HG PRO 65 HG2 PRO 65 -0.812 -1.312 9.246 447 2HG PRO 65 HG1 PRO 65 -1.386 -0.575 7.733 448 1HD PRO 65 HD2 PRO 65 -0.756 -3.177 7.875 449 2HD PRO 65 HD1 PRO 65 -0.392 -2.220 6.422 450 H HIS 66 HN HIS 66 2.402 -3.339 9.618 451 HA HIS 66 HA HIS 66 2.675 -2.050 12.237 452 1HB HIS 66 HB2 HIS 66 1.073 -4.502 11.551 453 2HB HIS 66 HB1 HIS 66 1.720 -4.271 13.172 454 HD1 HIS 66 HD1 HIS 66 -1.045 -3.290 10.975 455 HD2 HIS 66 HD2 HIS 66 0.652 -1.943 14.516 456 HE1 HIS 66 HE1 HIS 66 -2.741 -1.740 11.992 457 HE2 HIS 66 HE2 HIS 66 -1.660 -0.875 14.092 458 H CYS 67 HN CYS 67 4.788 -2.567 10.541 459 HA CYS 67 HA CYS 67 6.050 -5.033 10.779 460 1HB CYS 67 HB2 CYS 67 7.475 -2.370 10.737 461 2HB CYS 67 HB1 CYS 67 8.083 -3.917 10.160 Start of MODEL 3 1 1H ALA 1 HT1 ALA 1 8.248 10.041 0.838 2 2H ALA 1 HT2 ALA 1 8.547 11.724 0.992 3 3H ALA 1 HT3 ALA 1 9.736 10.590 1.488 4 HA ALA 1 HA ALA 1 8.759 10.677 -1.265 5 1HB ALA 1 HB1 ALA 1 11.208 12.162 -0.398 6 2HB ALA 1 HB2 ALA 1 9.626 12.940 -0.367 7 3HB ALA 1 HB3 ALA 1 10.274 12.319 -1.885 8 H CYS 2 HN CYS 2 9.118 8.432 -1.303 9 HA CYS 2 HA CYS 2 11.925 7.605 -0.973 10 1HB CYS 2 HB2 CYS 2 9.358 6.305 -0.360 11 2HB CYS 2 HB1 CYS 2 10.522 5.264 -1.172 12 H GLN 3 HN GLN 3 9.062 6.831 -2.961 13 HA GLN 3 HA GLN 3 10.628 7.033 -5.376 14 1HB GLN 3 HB2 GLN 3 10.692 4.591 -4.202 15 2HB GLN 3 HB1 GLN 3 9.255 4.423 -5.200 16 1HG GLN 3 HG2 GLN 3 10.429 4.341 -7.101 17 2HG GLN 3 HG1 GLN 3 11.550 5.598 -6.581 18 1HE2 GLN 3 HE21 GLN 3 11.365 2.475 -7.456 19 2HE2 GLN 3 HE22 GLN 3 12.737 1.839 -6.620 20 H ALA 4 HN ALA 4 7.593 5.619 -4.141 21 HA ALA 4 HA ALA 4 5.421 5.900 -4.759 22 1HB ALA 4 HB1 ALA 4 6.081 8.428 -6.199 23 2HB ALA 4 HB2 ALA 4 6.254 8.357 -4.445 24 3HB ALA 4 HB3 ALA 4 4.688 8.038 -5.192 25 H SER 5 HN SER 5 7.261 4.488 -6.507 26 HA SER 5 HA SER 5 5.863 4.875 -9.072 27 1HB SER 5 HB2 SER 5 8.750 4.345 -8.487 28 2HB SER 5 HB1 SER 5 8.049 3.708 -9.975 29 HG SER 5 HG SER 5 8.553 5.652 -10.654 30 H GLN 6 HN GLN 6 7.325 2.551 -6.851 31 HA GLN 6 HA GLN 6 6.442 0.280 -8.302 32 1HB GLN 6 HB2 GLN 6 7.589 0.620 -5.540 33 2HB GLN 6 HB1 GLN 6 7.135 -0.946 -6.197 34 1HG GLN 6 HG2 GLN 6 8.745 0.256 -8.144 35 2HG GLN 6 HG1 GLN 6 9.530 0.577 -6.598 36 1HE2 GLN 6 HE21 GLN 6 11.141 -0.825 -6.461 37 2HE2 GLN 6 HE22 GLN 6 11.015 -2.532 -6.692 38 H LEU 7 HN LEU 7 4.792 2.484 -6.460 39 HA LEU 7 HA LEU 7 2.800 0.490 -5.611 40 1HB LEU 7 HB2 LEU 7 2.907 3.276 -4.522 41 2HB LEU 7 HB1 LEU 7 2.220 1.833 -3.800 42 HG LEU 7 HG LEU 7 5.184 2.053 -4.219 43 1HD1 LEU 7 HD11 LEU 7 3.830 3.939 -2.770 44 2HD1 LEU 7 HD12 LEU 7 5.509 3.464 -2.518 45 3HD1 LEU 7 HD13 LEU 7 4.231 2.737 -1.544 46 1HD2 LEU 7 HD21 LEU 7 3.340 0.199 -2.987 47 2HD2 LEU 7 HD22 LEU 7 4.554 0.755 -1.836 48 3HD2 LEU 7 HD23 LEU 7 5.055 0.008 -3.353 49 H ALA 8 HN ALA 8 3.389 3.196 -7.642 50 HA ALA 8 HA ALA 8 0.980 4.435 -7.925 51 1HB ALA 8 HB1 ALA 8 1.824 5.353 -9.805 52 2HB ALA 8 HB2 ALA 8 2.313 3.793 -10.468 53 3HB ALA 8 HB3 ALA 8 3.309 4.582 -9.246 54 H VAL 9 HN VAL 9 2.007 1.555 -9.669 55 HA VAL 9 HA VAL 9 -0.317 1.096 -11.101 56 HB VAL 9 HB VAL 9 1.778 -0.076 -11.574 57 1HG1 VAL 9 HG11 VAL 9 2.685 -0.539 -9.456 58 2HG1 VAL 9 HG12 VAL 9 2.286 -2.114 -10.140 59 3HG1 VAL 9 HG13 VAL 9 1.233 -1.387 -8.927 60 1HG2 VAL 9 HG21 VAL 9 0.828 -2.076 -12.301 61 2HG2 VAL 9 HG22 VAL 9 -0.555 -0.991 -12.162 62 3HG2 VAL 9 HG23 VAL 9 -0.243 -2.186 -10.904 63 H CYS 10 HN CYS 10 0.345 0.620 -7.766 64 HA CYS 10 HA CYS 10 -1.872 -1.215 -7.350 65 1HB CYS 10 HB2 CYS 10 0.421 -1.100 -6.073 66 2HB CYS 10 HB1 CYS 10 -0.393 0.142 -5.127 67 H ALA 11 HN ALA 11 -1.067 2.145 -6.950 68 HA ALA 11 HA ALA 11 -2.913 3.130 -5.225 69 1HB ALA 11 HB1 ALA 11 -1.165 4.363 -6.657 70 2HB ALA 11 HB2 ALA 11 -2.643 5.217 -6.215 71 3HB ALA 11 HB3 ALA 11 -2.471 4.533 -7.831 72 H SER 12 HN SER 12 -3.498 1.886 -8.402 73 HA SER 12 HA SER 12 -5.985 2.920 -8.989 74 1HB SER 12 HB2 SER 12 -4.494 1.374 -10.405 75 2HB SER 12 HB1 SER 12 -5.283 0.046 -9.554 76 HG SER 12 HG SER 12 -6.743 2.075 -10.877 77 H ALA 13 HN ALA 13 -5.160 0.109 -7.009 78 HA ALA 13 HA ALA 13 -7.891 -0.511 -6.418 79 1HB ALA 13 HB1 ALA 13 -5.693 -2.017 -6.422 80 2HB ALA 13 HB2 ALA 13 -7.108 -2.405 -5.443 81 3HB ALA 13 HB3 ALA 13 -5.727 -1.587 -4.711 82 H ILE 14 HN ILE 14 -5.301 1.284 -4.898 83 HA ILE 14 HA ILE 14 -6.528 1.532 -2.342 84 HB ILE 14 HB ILE 14 -4.329 3.090 -3.696 85 1HG1 ILE 14 HG12 ILE 14 -3.198 1.999 -1.529 86 2HG1 ILE 14 HG11 ILE 14 -4.501 0.835 -1.761 87 1HG2 ILE 14 HG21 ILE 14 -4.100 3.730 -1.057 88 2HG2 ILE 14 HG22 ILE 14 -5.848 3.757 -1.285 89 3HG2 ILE 14 HG23 ILE 14 -4.812 4.768 -2.292 90 1HD1 ILE 14 HD11 ILE 14 -3.441 -0.130 -3.455 91 2HD1 ILE 14 HD12 ILE 14 -2.031 0.828 -3.004 92 3HD1 ILE 14 HD13 ILE 14 -3.138 1.417 -4.243 93 H LEU 15 HN LEU 15 -6.016 3.995 -4.879 94 HA LEU 15 HA LEU 15 -7.847 5.831 -3.739 95 1HB LEU 15 HB2 LEU 15 -6.562 5.640 -6.452 96 2HB LEU 15 HB1 LEU 15 -7.671 6.932 -6.034 97 HG LEU 15 HG LEU 15 -5.196 6.382 -4.415 98 1HD1 LEU 15 HD11 LEU 15 -3.871 7.576 -5.800 99 2HD1 LEU 15 HD12 LEU 15 -5.191 8.604 -6.358 100 3HD1 LEU 15 HD13 LEU 15 -4.997 6.980 -7.019 101 1HD2 LEU 15 HD21 LEU 15 -6.406 9.064 -4.745 102 2HD2 LEU 15 HD22 LEU 15 -5.648 8.325 -3.335 103 3HD2 LEU 15 HD23 LEU 15 -7.298 7.890 -3.778 104 H SER 16 HN SER 16 -8.164 4.534 -7.027 105 HA SER 16 HA SER 16 -10.895 4.931 -7.246 106 1HB SER 16 HB2 SER 16 -8.946 4.042 -8.930 107 2HB SER 16 HB1 SER 16 -9.876 2.564 -8.681 108 HG SER 16 HG SER 16 -11.094 5.026 -9.355 109 H GLY 17 HN GLY 17 -9.446 1.683 -6.954 110 1HA GLY 17 HA2 GLY 17 -10.111 0.200 -5.140 111 2HA GLY 17 HA1 GLY 17 -11.695 0.958 -5.183 112 H ALA 18 HN ALA 18 -10.016 0.143 -8.120 113 HA ALA 18 HA ALA 18 -12.136 -1.313 -9.195 114 1HB ALA 18 HB1 ALA 18 -9.312 -0.858 -9.926 115 2HB ALA 18 HB2 ALA 18 -10.782 -0.608 -10.868 116 3HB ALA 18 HB3 ALA 18 -10.121 -2.232 -10.679 117 H LYS 19 HN LYS 19 -8.991 -2.780 -8.677 118 HA LYS 19 HA LYS 19 -9.864 -4.804 -6.915 119 1HB LYS 19 HB2 LYS 19 -9.521 -6.701 -8.625 120 2HB LYS 19 HB1 LYS 19 -11.054 -5.840 -8.639 121 1HG LYS 19 HG2 LYS 19 -10.581 -5.919 -10.872 122 2HG LYS 19 HG1 LYS 19 -9.864 -4.365 -10.445 123 1HD LYS 19 HD2 LYS 19 -7.776 -6.010 -9.971 124 2HD LYS 19 HD1 LYS 19 -8.580 -6.885 -11.276 125 1HE LYS 19 HE2 LYS 19 -7.297 -5.520 -12.552 126 2HE LYS 19 HE1 LYS 19 -8.661 -4.428 -12.313 127 1HZ LYS 19 HZ1 LYS 19 -7.062 -3.033 -11.628 128 2HZ LYS 19 HZ2 LYS 19 -5.959 -4.267 -11.281 129 3HZ LYS 19 HZ3 LYS 19 -7.171 -3.879 -10.166 130 HA PRO 20 HA PRO 20 -5.465 -4.978 -6.483 131 1HB PRO 20 HB2 PRO 20 -5.224 -7.251 -5.035 132 2HB PRO 20 HB1 PRO 20 -5.861 -5.751 -4.351 133 1HG PRO 20 HG2 PRO 20 -7.341 -8.148 -5.367 134 2HG PRO 20 HG1 PRO 20 -7.631 -7.193 -3.901 135 1HD PRO 20 HD2 PRO 20 -9.085 -6.877 -6.169 136 2HD PRO 20 HD1 PRO 20 -8.754 -5.542 -5.048 137 H SER 21 HN SER 21 -3.754 -6.990 -6.461 138 HA SER 21 HA SER 21 -4.222 -9.011 -8.392 139 1HB SER 21 HB2 SER 21 -3.754 -6.617 -9.577 140 2HB SER 21 HB1 SER 21 -2.102 -7.207 -9.396 141 HG SER 21 HG SER 21 -2.465 -8.645 -10.888 142 H GLY 22 HN GLY 22 -1.574 -9.377 -9.241 143 1HA GLY 22 HA2 GLY 22 -0.340 -10.135 -6.684 144 2HA GLY 22 HA1 GLY 22 -0.024 -10.899 -8.234 145 H GLU 23 HN GLU 23 0.200 -8.233 -9.556 146 HA GLU 23 HA GLU 23 2.948 -7.933 -9.491 147 1HB GLU 23 HB2 GLU 23 1.110 -7.095 -11.159 148 2HB GLU 23 HB1 GLU 23 1.147 -5.637 -10.166 149 1HG GLU 23 HG2 GLU 23 3.798 -6.161 -10.637 150 2HG GLU 23 HG1 GLU 23 3.014 -6.595 -12.153 151 H CYS 24 HN CYS 24 0.446 -5.943 -7.926 152 HA CYS 24 HA CYS 24 2.058 -4.058 -6.741 153 1HB CYS 24 HB2 CYS 24 -0.351 -3.842 -6.706 154 2HB CYS 24 HB1 CYS 24 -0.501 -5.276 -5.697 155 H CYS 25 HN CYS 25 1.584 -7.367 -5.863 156 HA CYS 25 HA CYS 25 2.554 -7.215 -3.205 157 1HB CYS 25 HB2 CYS 25 2.602 -9.584 -5.085 158 2HB CYS 25 HB1 CYS 25 2.779 -9.643 -3.336 159 H GLY 26 HN GLY 26 4.136 -8.507 -6.132 160 1HA GLY 26 HA2 GLY 26 6.679 -8.798 -5.043 161 2HA GLY 26 HA1 GLY 26 6.345 -8.562 -6.751 162 H ASN 27 HN ASN 27 5.115 -5.911 -6.252 163 HA ASN 27 HA ASN 27 7.460 -4.378 -6.501 164 1HB ASN 27 HB2 ASN 27 4.579 -3.548 -6.203 165 2HB ASN 27 HB1 ASN 27 5.893 -2.431 -6.558 166 1HD2 ASN 27 HD21 ASN 27 7.293 -3.220 -8.465 167 2HD2 ASN 27 HD22 ASN 27 6.412 -3.737 -9.858 168 H LEU 28 HN LEU 28 4.835 -3.974 -4.196 169 HA LEU 28 HA LEU 28 6.226 -2.372 -2.425 170 1HB LEU 28 HB2 LEU 28 4.525 -2.918 -0.767 171 2HB LEU 28 HB1 LEU 28 3.816 -2.568 -2.331 172 HG LEU 28 HG LEU 28 3.996 -5.232 -2.535 173 1HD1 LEU 28 HD11 LEU 28 4.963 -5.242 -0.169 174 2HD1 LEU 28 HD12 LEU 28 3.649 -6.360 -0.525 175 3HD1 LEU 28 HD13 LEU 28 3.323 -4.874 0.363 176 1HD2 LEU 28 HD21 LEU 28 1.740 -5.166 -2.512 177 2HD2 LEU 28 HD22 LEU 28 2.003 -3.424 -2.423 178 3HD2 LEU 28 HD23 LEU 28 1.673 -4.343 -0.954 179 H ARG 29 HN ARG 29 6.267 -5.806 -2.837 180 HA ARG 29 HA ARG 29 7.323 -6.547 -0.372 181 1HB ARG 29 HB2 ARG 29 7.023 -7.776 -3.010 182 2HB ARG 29 HB1 ARG 29 8.436 -8.345 -2.138 183 1HG ARG 29 HG2 ARG 29 6.252 -9.638 -1.878 184 2HG ARG 29 HG1 ARG 29 7.169 -9.257 -0.421 185 1HD ARG 29 HD2 ARG 29 5.163 -7.267 -1.248 186 2HD ARG 29 HD1 ARG 29 4.525 -8.815 -0.701 187 HE ARG 29 HE ARG 29 5.623 -6.777 0.924 188 1HH1 ARG 29 HH11 ARG 29 5.515 -10.250 0.600 189 2HH1 ARG 29 HH12 ARG 29 5.746 -10.541 2.292 190 1HH2 ARG 29 HH21 ARG 29 5.927 -7.157 3.150 191 2HH2 ARG 29 HH22 ARG 29 5.980 -8.784 3.740 192 H ALA 30 HN ALA 30 8.880 -5.696 -3.401 193 HA ALA 30 HA ALA 30 11.519 -6.082 -2.690 194 1HB ALA 30 HB1 ALA 30 10.527 -3.824 -4.419 195 2HB ALA 30 HB2 ALA 30 10.676 -5.493 -4.969 196 3HB ALA 30 HB3 ALA 30 12.111 -4.598 -4.470 197 H GLN 31 HN GLN 31 9.274 -3.692 -1.669 198 HA GLN 31 HA GLN 31 11.256 -1.849 -0.667 199 1HB GLN 31 HB2 GLN 31 8.335 -1.862 0.059 200 2HB GLN 31 HB1 GLN 31 9.447 -0.501 0.039 201 1HG GLN 31 HG2 GLN 31 9.601 -0.955 -2.491 202 2HG GLN 31 HG1 GLN 31 8.122 -1.885 -2.252 203 1HE2 GLN 31 HE21 GLN 31 9.536 1.230 -2.450 204 2HE2 GLN 31 HE22 GLN 31 8.073 2.150 -2.290 205 H GLN 32 HN GLN 32 8.581 -3.460 1.040 206 HA GLN 32 HA GLN 32 8.396 -4.173 3.188 207 1HB GLN 32 HB2 GLN 32 10.189 -5.722 1.830 208 2HB GLN 32 HB1 GLN 32 11.098 -5.299 3.278 209 1HG GLN 32 HG2 GLN 32 10.022 -6.888 4.375 210 2HG GLN 32 HG1 GLN 32 8.519 -5.998 4.132 211 1HE2 GLN 32 HE21 GLN 32 8.250 -6.247 1.395 212 2HE2 GLN 32 HE22 GLN 32 7.945 -7.901 1.004 213 H GLY 33 HN GLY 33 9.843 -1.554 2.670 214 1HA GLY 33 HA2 GLY 33 10.882 -1.256 5.405 215 2HA GLY 33 HA1 GLY 33 11.825 -0.650 4.049 216 H CYS 34 HN CYS 34 10.891 1.043 2.729 217 HA CYS 34 HA CYS 34 9.775 3.121 4.194 218 1HB CYS 34 HB2 CYS 34 11.042 3.111 1.913 219 2HB CYS 34 HB1 CYS 34 9.415 2.973 1.259 220 H PHE 35 HN PHE 35 8.374 0.667 2.197 221 HA PHE 35 HA PHE 35 5.751 1.672 2.035 222 1HB PHE 35 HB2 PHE 35 5.972 0.008 0.501 223 2HB PHE 35 HB1 PHE 35 7.135 -0.869 1.485 224 HD1 PHE 35 HD1 PHE 35 6.453 -3.035 1.701 225 HD2 PHE 35 HD2 PHE 35 3.559 0.066 2.050 226 HE1 PHE 35 HE1 PHE 35 4.739 -4.706 2.250 227 HE2 PHE 35 HE2 PHE 35 1.837 -1.603 2.605 228 HZ PHE 35 HZ PHE 35 2.425 -3.992 2.706 229 H CYS 36 HN CYS 36 7.369 -0.400 4.330 230 HA CYS 36 HA CYS 36 5.092 -1.048 5.889 231 1HB CYS 36 HB2 CYS 36 7.550 -2.051 5.838 232 2HB CYS 36 HB1 CYS 36 7.795 -0.901 7.148 233 H GLN 37 HN GLN 37 7.729 1.273 6.481 234 HA GLN 37 HA GLN 37 6.589 2.439 8.743 235 1HB GLN 37 HB2 GLN 37 8.218 4.220 8.458 236 2HB GLN 37 HB1 GLN 37 8.971 2.658 8.164 237 1HG GLN 37 HG2 GLN 37 9.816 3.937 6.454 238 2HG GLN 37 HG1 GLN 37 8.444 3.146 5.680 239 1HE2 GLN 37 HE21 GLN 37 8.000 4.658 4.163 240 2HE2 GLN 37 HE22 GLN 37 7.480 6.266 4.521 241 H TYR 38 HN TYR 38 6.007 2.865 5.382 242 HA TYR 38 HA TYR 38 4.962 5.431 5.258 243 1HB TYR 38 HB2 TYR 38 4.891 3.040 3.633 244 2HB TYR 38 HB1 TYR 38 3.331 3.856 3.592 245 HD1 TYR 38 HD1 TYR 38 3.707 6.586 3.435 246 HD2 TYR 38 HD2 TYR 38 6.280 3.576 1.882 247 HE1 TYR 38 HE1 TYR 38 4.586 8.193 1.796 248 HE2 TYR 38 HE2 TYR 38 7.167 5.174 0.238 249 HH TYR 38 HH TYR 38 7.374 7.563 -0.081 250 H ALA 39 HN ALA 39 3.698 2.601 6.772 251 HA ALA 39 HA ALA 39 0.979 3.085 6.782 252 1HB ALA 39 HB1 ALA 39 0.861 1.350 8.198 253 2HB ALA 39 HB2 ALA 39 2.037 2.051 9.311 254 3HB ALA 39 HB3 ALA 39 2.587 1.196 7.870 255 H LYS 40 HN LYS 40 3.479 4.798 8.394 256 HA LYS 40 HA LYS 40 1.486 6.246 10.008 257 1HB LYS 40 HB2 LYS 40 3.875 5.044 10.804 258 2HB LYS 40 HB1 LYS 40 4.244 6.761 10.750 259 1HG LYS 40 HG2 LYS 40 2.028 7.000 12.095 260 2HG LYS 40 HG1 LYS 40 2.296 5.296 12.467 261 1HD LYS 40 HD2 LYS 40 4.461 7.340 12.846 262 2HD LYS 40 HD1 LYS 40 3.238 7.057 14.087 263 1HE LYS 40 HE2 LYS 40 4.695 4.725 12.935 264 2HE LYS 40 HE1 LYS 40 5.522 5.752 14.105 265 1HZ LYS 40 HZ1 LYS 40 3.200 5.366 15.341 266 2HZ LYS 40 HZ2 LYS 40 4.546 4.366 15.561 267 3HZ LYS 40 HZ3 LYS 40 3.317 3.906 14.493 268 H ASP 41 HN ASP 41 2.600 6.575 7.140 269 HA ASP 41 HA ASP 41 3.897 9.141 7.208 270 1HB ASP 41 HB2 ASP 41 4.480 7.606 5.441 271 2HB ASP 41 HB1 ASP 41 2.792 7.470 4.944 272 HA PRO 42 HA PRO 42 -0.109 11.204 7.427 273 1HB PRO 42 HB2 PRO 42 0.825 13.677 7.922 274 2HB PRO 42 HB1 PRO 42 0.810 12.417 9.162 275 1HG PRO 42 HG2 PRO 42 3.076 13.363 7.449 276 2HG PRO 42 HG1 PRO 42 3.066 12.983 9.182 277 1HD PRO 42 HD2 PRO 42 3.982 11.264 7.268 278 2HD PRO 42 HD1 PRO 42 3.292 10.730 8.814 279 H THR 43 HN THR 43 2.561 11.920 5.307 280 HA THR 43 HA THR 43 1.563 14.009 3.793 281 HB THR 43 HB THR 43 2.830 12.177 2.021 282 HG1 THR 43 HG1 THR 43 4.253 12.476 4.445 283 1HG2 THR 43 HG21 THR 43 3.510 14.260 1.547 284 2HG2 THR 43 HG22 THR 43 4.808 13.858 2.672 285 3HG2 THR 43 HG23 THR 43 3.417 14.791 3.226 286 H TYR 44 HN TYR 44 1.026 10.525 3.329 287 HA TYR 44 HA TYR 44 -0.912 11.069 1.228 288 1HB TYR 44 HB2 TYR 44 0.224 8.518 2.373 289 2HB TYR 44 HB1 TYR 44 -1.080 8.530 1.190 290 HD1 TYR 44 HD1 TYR 44 -0.650 9.535 -1.080 291 HD2 TYR 44 HD2 TYR 44 2.474 8.783 1.708 292 HE1 TYR 44 HE1 TYR 44 0.998 9.668 -2.900 293 HE2 TYR 44 HE2 TYR 44 4.131 8.915 -0.104 294 HH TYR 44 HH TYR 44 3.231 8.961 -3.418 295 H GLY 45 HN GLY 45 -1.083 8.761 3.926 296 1HA GLY 45 HA2 GLY 45 -2.678 8.495 5.574 297 2HA GLY 45 HA1 GLY 45 -3.346 10.054 5.120 298 H GLN 46 HN GLN 46 -4.247 9.796 2.636 299 HA GLN 46 HA GLN 46 -6.574 8.228 2.937 300 1HB GLN 46 HB2 GLN 46 -7.134 8.955 0.682 301 2HB GLN 46 HB1 GLN 46 -6.520 10.306 1.624 302 1HG GLN 46 HG2 GLN 46 -4.239 9.631 0.532 303 2HG GLN 46 HG1 GLN 46 -5.282 8.874 -0.670 304 1HE2 GLN 46 HE21 GLN 46 -3.646 11.610 0.066 305 2HE2 GLN 46 HE22 GLN 46 -4.544 12.756 -0.880 306 H TYR 47 HN TYR 47 -3.459 7.597 1.594 307 HA TYR 47 HA TYR 47 -4.254 5.407 -0.057 308 1HB TYR 47 HB2 TYR 47 -2.112 6.909 -0.161 309 2HB TYR 47 HB1 TYR 47 -1.495 5.708 0.968 310 HD1 TYR 47 HD1 TYR 47 -0.997 3.458 0.264 311 HD2 TYR 47 HD2 TYR 47 -2.643 6.286 -2.451 312 HE1 TYR 47 HE1 TYR 47 -0.432 1.971 -1.613 313 HE2 TYR 47 HE2 TYR 47 -2.086 4.807 -4.339 314 HH TYR 47 HH TYR 47 -0.009 2.639 -4.426 315 H ILE 48 HN ILE 48 -2.499 5.635 3.024 316 HA ILE 48 HA ILE 48 -2.489 2.840 3.485 317 HB ILE 48 HB ILE 48 -2.161 5.046 5.519 318 1HG1 ILE 48 HG12 ILE 48 -0.590 5.267 3.622 319 2HG1 ILE 48 HG11 ILE 48 0.236 4.850 5.120 320 1HG2 ILE 48 HG21 ILE 48 -2.453 2.367 5.966 321 2HG2 ILE 48 HG22 ILE 48 -1.620 3.492 7.038 322 3HG2 ILE 48 HG23 ILE 48 -0.701 2.538 5.875 323 1HD1 ILE 48 HD11 ILE 48 1.116 3.622 3.202 324 2HD1 ILE 48 HD12 ILE 48 -0.477 2.917 2.927 325 3HD1 ILE 48 HD13 ILE 48 0.411 2.541 4.404 326 H ARG 49 HN ARG 49 -4.409 5.486 4.911 327 HA ARG 49 HA ARG 49 -6.095 3.627 6.317 328 1HB ARG 49 HB2 ARG 49 -6.479 6.599 5.948 329 2HB ARG 49 HB1 ARG 49 -7.268 5.580 7.144 330 1HG ARG 49 HG2 ARG 49 -5.145 5.176 8.242 331 2HG ARG 49 HG1 ARG 49 -4.309 6.125 7.010 332 1HD ARG 49 HD2 ARG 49 -6.516 7.271 8.698 333 2HD ARG 49 HD1 ARG 49 -4.832 7.283 9.219 334 HE ARG 49 HE ARG 49 -5.248 8.389 6.597 335 1HH1 ARG 49 HH11 ARG 49 -5.211 9.068 10.020 336 2HH1 ARG 49 HH12 ARG 49 -4.904 10.759 9.808 337 1HH2 ARG 49 HH21 ARG 49 -4.844 10.613 6.317 338 2HH2 ARG 49 HH22 ARG 49 -4.696 11.636 7.706 339 H SER 50 HN SER 50 -6.052 3.380 3.436 340 HA SER 50 HA SER 50 -8.569 4.360 2.462 341 1HB SER 50 HB2 SER 50 -6.311 3.786 1.188 342 2HB SER 50 HB1 SER 50 -7.108 2.221 1.057 343 HG SER 50 HG SER 50 -8.161 3.074 -0.537 344 HA PRO 51 HA PRO 51 -11.087 0.987 3.792 345 1HB PRO 51 HB2 PRO 51 -12.930 0.906 1.786 346 2HB PRO 51 HB1 PRO 51 -12.927 2.140 3.050 347 1HG PRO 51 HG2 PRO 51 -11.881 2.293 0.251 348 2HG PRO 51 HG1 PRO 51 -12.806 3.496 1.168 349 1HD PRO 51 HD2 PRO 51 -10.130 3.671 0.848 350 2HD PRO 51 HD1 PRO 51 -10.946 4.233 2.321 351 H HIS 52 HN HIS 52 -10.291 0.974 0.326 352 HA HIS 52 HA HIS 52 -10.516 -1.891 0.145 353 1HB HIS 52 HB2 HIS 52 -9.188 -0.228 -1.960 354 2HB HIS 52 HB1 HIS 52 -10.215 -1.645 -2.144 355 HD1 HIS 52 HD1 HIS 52 -12.846 -1.150 -1.468 356 HD2 HIS 52 HD2 HIS 52 -10.461 2.107 -2.456 357 HE1 HIS 52 HE1 HIS 52 -14.444 0.709 -2.028 358 HE2 HIS 52 HE2 HIS 52 -12.979 2.642 -2.708 359 H ALA 53 HN ALA 53 -8.049 0.312 1.005 360 HA ALA 53 HA ALA 53 -5.750 -0.923 0.118 361 1HB ALA 53 HB1 ALA 53 -6.367 0.783 2.479 362 2HB ALA 53 HB2 ALA 53 -5.370 1.139 1.068 363 3HB ALA 53 HB3 ALA 53 -4.770 0.052 2.320 364 H ARG 54 HN ARG 54 -7.454 -1.424 3.151 365 HA ARG 54 HA ARG 54 -5.826 -3.349 4.264 366 1HB ARG 54 HB2 ARG 54 -8.658 -2.560 4.592 367 2HB ARG 54 HB1 ARG 54 -8.207 -4.139 5.222 368 1HG ARG 54 HG2 ARG 54 -6.485 -1.831 5.927 369 2HG ARG 54 HG1 ARG 54 -8.073 -1.947 6.690 370 1HD ARG 54 HD2 ARG 54 -6.526 -3.048 8.120 371 2HD ARG 54 HD1 ARG 54 -7.488 -4.297 7.330 372 HE ARG 54 HE ARG 54 -4.983 -3.662 6.031 373 1HH1 ARG 54 HH11 ARG 54 -6.622 -5.706 8.341 374 2HH1 ARG 54 HH12 ARG 54 -5.452 -6.977 8.231 375 1HH2 ARG 54 HH21 ARG 54 -3.446 -5.334 5.889 376 2HH2 ARG 54 HH22 ARG 54 -3.650 -6.766 6.841 377 H ASP 55 HN ASP 55 -8.615 -3.777 2.175 378 HA ASP 55 HA ASP 55 -8.518 -6.589 2.099 379 1HB ASP 55 HB2 ASP 55 -10.415 -4.948 1.388 380 2HB ASP 55 HB1 ASP 55 -9.593 -5.013 -0.168 381 H THR 56 HN THR 56 -7.180 -4.102 0.049 382 HA THR 56 HA THR 56 -6.180 -5.675 -1.994 383 HB THR 56 HB THR 56 -5.045 -3.149 -0.879 384 HG1 THR 56 HG1 THR 56 -7.207 -2.980 -1.610 385 1HG2 THR 56 HG21 THR 56 -3.544 -4.470 -2.447 386 2HG2 THR 56 HG22 THR 56 -3.872 -2.785 -2.854 387 3HG2 THR 56 HG23 THR 56 -4.726 -4.079 -3.696 388 H LEU 57 HN LEU 57 -4.849 -4.902 1.153 389 HA LEU 57 HA LEU 57 -2.286 -5.904 0.792 390 1HB LEU 57 HB2 LEU 57 -3.951 -5.065 2.991 391 2HB LEU 57 HB1 LEU 57 -2.889 -6.388 3.444 392 HG LEU 57 HG LEU 57 -1.360 -4.479 2.004 393 1HD1 LEU 57 HD11 LEU 57 -2.647 -3.209 4.390 394 2HD1 LEU 57 HD12 LEU 57 -3.294 -2.985 2.765 395 3HD1 LEU 57 HD13 LEU 57 -1.652 -2.464 3.139 396 1HD2 LEU 57 HD21 LEU 57 0.113 -4.890 3.649 397 2HD2 LEU 57 HD22 LEU 57 -1.022 -6.163 4.094 398 3HD2 LEU 57 HD23 LEU 57 -1.076 -4.607 4.920 399 H THR 58 HN THR 58 -5.021 -7.434 2.391 400 HA THR 58 HA THR 58 -3.873 -9.960 2.655 401 HB THR 58 HB THR 58 -6.830 -9.536 2.285 402 HG1 THR 58 HG1 THR 58 -5.193 -8.747 4.438 403 1HG2 THR 58 HG21 THR 58 -5.248 -11.704 3.203 404 2HG2 THR 58 HG22 THR 58 -7.002 -11.590 3.066 405 3HG2 THR 58 HG23 THR 58 -6.199 -11.088 4.554 406 H SER 59 HN SER 59 -5.907 -8.584 0.110 407 HA SER 59 HA SER 59 -6.258 -10.796 -1.490 408 1HB SER 59 HB2 SER 59 -7.067 -8.324 -1.723 409 2HB SER 59 HB1 SER 59 -5.616 -8.171 -2.700 410 HG SER 59 HG SER 59 -6.405 -9.603 -4.147 411 H CYS 60 HN CYS 60 -3.510 -8.811 -0.919 412 HA CYS 60 HA CYS 60 -1.919 -9.716 -3.097 413 1HB CYS 60 HB2 CYS 60 -1.834 -7.649 -1.275 414 2HB CYS 60 HB1 CYS 60 -0.545 -8.697 -0.721 415 H GLY 61 HN GLY 61 -2.319 -10.559 0.315 416 1HA GLY 61 HA2 GLY 61 -1.818 -12.515 1.417 417 2HA GLY 61 HA1 GLY 61 -1.373 -13.215 -0.129 418 H LEU 62 HN LEU 62 -0.072 -10.589 1.929 419 HA LEU 62 HA LEU 62 2.468 -12.047 1.970 420 1HB LEU 62 HB2 LEU 62 3.388 -9.499 1.921 421 2HB LEU 62 HB1 LEU 62 3.336 -10.571 0.541 422 HG LEU 62 HG LEU 62 0.817 -9.187 0.741 423 1HD1 LEU 62 HD11 LEU 62 3.294 -7.515 1.015 424 2HD1 LEU 62 HD12 LEU 62 1.755 -7.378 1.870 425 3HD1 LEU 62 HD13 LEU 62 1.866 -6.910 0.175 426 1HD2 LEU 62 HD21 LEU 62 2.176 -8.219 -1.456 427 2HD2 LEU 62 HD22 LEU 62 1.147 -9.651 -1.415 428 3HD2 LEU 62 HD23 LEU 62 2.890 -9.811 -1.205 429 H ALA 63 HN ALA 63 2.050 -8.774 3.179 430 HA ALA 63 HA ALA 63 1.617 -9.706 5.874 431 1HB ALA 63 HB1 ALA 63 3.646 -8.264 6.602 432 2HB ALA 63 HB2 ALA 63 4.198 -8.526 4.948 433 3HB ALA 63 HB3 ALA 63 3.915 -9.904 6.012 434 H VAL 64 HN VAL 64 1.841 -7.647 7.395 435 HA VAL 64 HA VAL 64 0.304 -5.528 6.106 436 HB VAL 64 HB VAL 64 -0.466 -7.050 8.215 437 1HG1 VAL 64 HG11 VAL 64 1.409 -5.863 9.532 438 2HG1 VAL 64 HG12 VAL 64 -0.182 -6.034 10.274 439 3HG1 VAL 64 HG13 VAL 64 0.297 -4.495 9.560 440 1HG2 VAL 64 HG21 VAL 64 -1.581 -5.125 6.751 441 2HG2 VAL 64 HG22 VAL 64 -1.429 -4.254 8.277 442 3HG2 VAL 64 HG23 VAL 64 -2.331 -5.768 8.211 443 HA PRO 65 HA PRO 65 3.630 -2.753 7.062 444 1HB PRO 65 HB2 PRO 65 2.474 -0.400 6.679 445 2HB PRO 65 HB1 PRO 65 2.585 -1.556 5.339 446 1HG PRO 65 HG2 PRO 65 0.287 -1.095 7.226 447 2HG PRO 65 HG1 PRO 65 0.262 -1.084 5.448 448 1HD PRO 65 HD2 PRO 65 -0.434 -3.260 6.881 449 2HD PRO 65 HD1 PRO 65 0.403 -3.396 5.320 450 H HIS 66 HN HIS 66 2.070 -3.715 9.368 451 HA HIS 66 HA HIS 66 2.136 -1.356 11.111 452 1HB HIS 66 HB2 HIS 66 0.751 -4.011 11.333 453 2HB HIS 66 HB1 HIS 66 1.033 -3.032 12.764 454 HD1 HIS 66 HD1 HIS 66 -0.676 -2.783 9.395 455 HD2 HIS 66 HD2 HIS 66 -0.840 -1.107 13.189 456 HE1 HIS 66 HE1 HIS 66 -2.702 -1.308 9.394 457 HE2 HIS 66 HE2 HIS 66 -2.749 -0.249 11.675 458 H CYS 67 HN CYS 67 4.534 -2.674 10.176 459 HA CYS 67 HA CYS 67 5.605 -4.366 12.182 460 1HB CYS 67 HB2 CYS 67 7.808 -3.791 11.118 461 2HB CYS 67 HB1 CYS 67 6.594 -4.403 10.000 Start of MODEL 4 1 1H ALA 1 HT1 ALA 1 17.040 6.878 0.292 2 2H ALA 1 HT2 ALA 1 15.674 7.822 -0.144 3 3H ALA 1 HT3 ALA 1 16.402 6.778 -1.296 4 HA ALA 1 HA ALA 1 15.637 4.903 -0.298 5 1HB ALA 1 HB1 ALA 1 14.430 5.162 1.988 6 2HB ALA 1 HB2 ALA 1 15.372 6.648 2.112 7 3HB ALA 1 HB3 ALA 1 16.191 5.096 1.934 8 H CYS 2 HN CYS 2 13.384 4.152 -0.006 9 HA CYS 2 HA CYS 2 11.202 4.140 -0.645 10 1HB CYS 2 HB2 CYS 2 11.163 7.104 -0.092 11 2HB CYS 2 HB1 CYS 2 9.826 5.965 0.011 12 H GLN 3 HN GLN 3 11.270 3.688 -2.789 13 HA GLN 3 HA GLN 3 12.129 5.458 -4.804 14 1HB GLN 3 HB2 GLN 3 11.551 2.816 -4.731 15 2HB GLN 3 HB1 GLN 3 10.111 3.422 -5.539 16 1HG GLN 3 HG2 GLN 3 11.277 3.285 -7.419 17 2HG GLN 3 HG1 GLN 3 12.152 4.709 -6.857 18 1HE2 GLN 3 HE21 GLN 3 13.905 4.026 -5.147 19 2HE2 GLN 3 HE22 GLN 3 14.948 2.754 -5.675 20 H ALA 4 HN ALA 4 8.973 4.841 -3.380 21 HA ALA 4 HA ALA 4 6.972 5.912 -3.548 22 1HB ALA 4 HB1 ALA 4 8.377 7.826 -2.856 23 2HB ALA 4 HB2 ALA 4 7.002 8.303 -3.853 24 3HB ALA 4 HB3 ALA 4 8.618 8.228 -4.556 25 H SER 5 HN SER 5 8.174 4.501 -5.931 26 HA SER 5 HA SER 5 6.447 5.729 -7.978 27 1HB SER 5 HB2 SER 5 7.995 5.040 -9.698 28 2HB SER 5 HB1 SER 5 8.893 5.947 -8.480 29 HG SER 5 HG SER 5 9.349 3.775 -7.563 30 H GLN 6 HN GLN 6 7.668 2.765 -6.543 31 HA GLN 6 HA GLN 6 6.028 1.109 -8.208 32 1HB GLN 6 HB2 GLN 6 7.791 0.408 -5.863 33 2HB GLN 6 HB1 GLN 6 6.993 -0.757 -6.913 34 1HG GLN 6 HG2 GLN 6 8.557 1.138 -8.432 35 2HG GLN 6 HG1 GLN 6 9.534 0.311 -7.220 36 1HE2 GLN 6 HE21 GLN 6 7.458 -0.117 -10.002 37 2HE2 GLN 6 HE22 GLN 6 8.014 -1.699 -10.416 38 H LEU 7 HN LEU 7 4.374 2.820 -6.935 39 HA LEU 7 HA LEU 7 2.815 1.024 -5.278 40 1HB LEU 7 HB2 LEU 7 3.599 3.752 -4.253 41 2HB LEU 7 HB1 LEU 7 2.540 2.606 -3.453 42 HG LEU 7 HG LEU 7 5.461 2.091 -4.017 43 1HD1 LEU 7 HD11 LEU 7 4.555 3.943 -2.263 44 2HD1 LEU 7 HD12 LEU 7 6.043 3.019 -2.058 45 3HD1 LEU 7 HD13 LEU 7 4.564 2.498 -1.251 46 1HD2 LEU 7 HD21 LEU 7 3.633 0.218 -3.638 47 2HD2 LEU 7 HD22 LEU 7 3.867 0.667 -1.949 48 3HD2 LEU 7 HD23 LEU 7 5.235 0.104 -2.909 49 H ALA 8 HN ALA 8 3.109 4.209 -6.793 50 HA ALA 8 HA ALA 8 0.576 5.180 -6.648 51 1HB ALA 8 HB1 ALA 8 0.989 6.349 -8.743 52 2HB ALA 8 HB2 ALA 8 2.338 5.266 -9.085 53 3HB ALA 8 HB3 ALA 8 2.419 6.371 -7.713 54 H VAL 9 HN VAL 9 1.746 2.796 -8.943 55 HA VAL 9 HA VAL 9 -0.504 2.532 -10.525 56 HB VAL 9 HB VAL 9 1.641 1.476 -11.072 57 1HG1 VAL 9 HG11 VAL 9 0.952 -0.397 -8.813 58 2HG1 VAL 9 HG12 VAL 9 2.328 0.701 -8.902 59 3HG1 VAL 9 HG13 VAL 9 2.230 -0.681 -9.994 60 1HG2 VAL 9 HG21 VAL 9 -0.814 0.568 -11.701 61 2HG2 VAL 9 HG22 VAL 9 -0.132 -0.878 -10.957 62 3HG2 VAL 9 HG23 VAL 9 0.677 -0.130 -12.333 63 H CYS 10 HN CYS 10 0.059 1.475 -7.302 64 HA CYS 10 HA CYS 10 -2.081 -0.461 -7.238 65 1HB CYS 10 HB2 CYS 10 0.101 -0.309 -5.783 66 2HB CYS 10 HB1 CYS 10 -0.878 0.759 -4.783 67 H ALA 11 HN ALA 11 -1.592 2.891 -6.513 68 HA ALA 11 HA ALA 11 -3.581 3.602 -4.820 69 1HB ALA 11 HB1 ALA 11 -3.600 5.773 -5.830 70 2HB ALA 11 HB2 ALA 11 -2.964 5.125 -7.342 71 3HB ALA 11 HB3 ALA 11 -1.953 5.145 -5.897 72 H SER 12 HN SER 12 -3.937 2.543 -8.097 73 HA SER 12 HA SER 12 -6.471 3.398 -8.742 74 1HB SER 12 HB2 SER 12 -5.471 0.625 -9.388 75 2HB SER 12 HB1 SER 12 -6.555 1.637 -10.342 76 HG SER 12 HG SER 12 -3.784 1.745 -10.075 77 H ALA 13 HN ALA 13 -5.495 0.780 -6.630 78 HA ALA 13 HA ALA 13 -8.218 -0.104 -6.242 79 1HB ALA 13 HB1 ALA 13 -5.917 -1.481 -6.255 80 2HB ALA 13 HB2 ALA 13 -7.364 -2.018 -5.403 81 3HB ALA 13 HB3 ALA 13 -6.082 -1.186 -4.524 82 H ILE 14 HN ILE 14 -5.762 1.759 -4.596 83 HA ILE 14 HA ILE 14 -7.083 1.810 -2.059 84 HB ILE 14 HB ILE 14 -4.890 3.544 -3.203 85 1HG1 ILE 14 HG12 ILE 14 -3.628 2.267 -1.315 86 2HG1 ILE 14 HG11 ILE 14 -4.974 1.133 -1.412 87 1HG2 ILE 14 HG21 ILE 14 -6.423 3.774 -0.695 88 2HG2 ILE 14 HG22 ILE 14 -5.555 5.003 -1.614 89 3HG2 ILE 14 HG23 ILE 14 -4.671 3.912 -0.547 90 1HD1 ILE 14 HD11 ILE 14 -2.707 0.957 -2.871 91 2HD1 ILE 14 HD12 ILE 14 -3.762 1.820 -3.991 92 3HD1 ILE 14 HD13 ILE 14 -4.255 0.256 -3.342 93 H LEU 15 HN LEU 15 -6.438 4.472 -4.349 94 HA LEU 15 HA LEU 15 -8.363 6.197 -3.219 95 1HB LEU 15 HB2 LEU 15 -7.037 6.205 -5.927 96 2HB LEU 15 HB1 LEU 15 -8.068 7.499 -5.345 97 HG LEU 15 HG LEU 15 -5.540 6.627 -3.951 98 1HD1 LEU 15 HD11 LEU 15 -5.998 8.483 -6.209 99 2HD1 LEU 15 HD12 LEU 15 -4.580 7.516 -5.801 100 3HD1 LEU 15 HD13 LEU 15 -4.903 9.018 -4.935 101 1HD2 LEU 15 HD21 LEU 15 -7.612 8.022 -2.927 102 2HD2 LEU 15 HD22 LEU 15 -6.652 9.331 -3.617 103 3HD2 LEU 15 HD23 LEU 15 -5.933 8.241 -2.431 104 H SER 16 HN SER 16 -8.487 4.989 -6.563 105 HA SER 16 HA SER 16 -11.196 5.424 -6.947 106 1HB SER 16 HB2 SER 16 -9.168 4.555 -8.529 107 2HB SER 16 HB1 SER 16 -10.088 3.063 -8.339 108 HG SER 16 HG SER 16 -10.868 5.505 -9.493 109 H GLY 17 HN GLY 17 -9.795 2.160 -6.596 110 1HA GLY 17 HA2 GLY 17 -10.583 0.661 -4.851 111 2HA GLY 17 HA1 GLY 17 -12.153 1.439 -4.973 112 H ALA 18 HN ALA 18 -10.359 0.669 -7.846 113 HA ALA 18 HA ALA 18 -12.447 -0.816 -8.980 114 1HB ALA 18 HB1 ALA 18 -11.063 0.101 -10.567 115 2HB ALA 18 HB2 ALA 18 -10.515 -1.576 -10.564 116 3HB ALA 18 HB3 ALA 18 -9.596 -0.347 -9.695 117 H LYS 19 HN LYS 19 -9.237 -2.144 -8.485 118 HA LYS 19 HA LYS 19 -10.002 -4.258 -6.786 119 1HB LYS 19 HB2 LYS 19 -9.610 -6.094 -8.540 120 2HB LYS 19 HB1 LYS 19 -11.170 -5.283 -8.540 121 1HG LYS 19 HG2 LYS 19 -9.431 -3.839 -10.256 122 2HG LYS 19 HG1 LYS 19 -9.311 -5.552 -10.661 123 1HD LYS 19 HD2 LYS 19 -11.705 -5.696 -10.943 124 2HD LYS 19 HD1 LYS 19 -11.903 -4.030 -10.397 125 1HE LYS 19 HE2 LYS 19 -11.057 -3.147 -12.350 126 2HE LYS 19 HE1 LYS 19 -10.136 -4.601 -12.731 127 1HZ LYS 19 HZ1 LYS 19 -13.086 -4.643 -12.738 128 2HZ LYS 19 HZ2 LYS 19 -12.008 -5.673 -13.537 129 3HZ LYS 19 HZ3 LYS 19 -12.228 -4.089 -14.088 130 HA PRO 20 HA PRO 20 -5.647 -4.550 -6.253 131 1HB PRO 20 HB2 PRO 20 -5.285 -7.240 -5.858 132 2HB PRO 20 HB1 PRO 20 -5.910 -6.137 -4.628 133 1HG PRO 20 HG2 PRO 20 -7.399 -7.983 -6.452 134 2HG PRO 20 HG1 PRO 20 -7.669 -7.649 -4.731 135 1HD PRO 20 HD2 PRO 20 -9.197 -6.541 -6.647 136 2HD PRO 20 HD1 PRO 20 -8.776 -5.661 -5.163 137 H SER 21 HN SER 21 -3.814 -6.402 -6.912 138 HA SER 21 HA SER 21 -4.024 -7.534 -9.476 139 1HB SER 21 HB2 SER 21 -3.906 -4.843 -9.732 140 2HB SER 21 HB1 SER 21 -2.184 -5.225 -9.718 141 HG SER 21 HG SER 21 -3.697 -5.349 -11.773 142 H GLY 22 HN GLY 22 -2.220 -8.745 -10.012 143 1HA GLY 22 HA2 GLY 22 -0.528 -9.531 -7.925 144 2HA GLY 22 HA1 GLY 22 -0.284 -9.913 -9.622 145 H GLU 23 HN GLU 23 -0.164 -6.992 -10.285 146 HA GLU 23 HA GLU 23 2.597 -6.672 -10.247 147 1HB GLU 23 HB2 GLU 23 0.702 -5.557 -11.674 148 2HB GLU 23 HB1 GLU 23 0.736 -4.330 -10.406 149 1HG GLU 23 HG2 GLU 23 3.396 -4.818 -11.133 150 2HG GLU 23 HG1 GLU 23 2.474 -4.693 -12.627 151 H CYS 24 HN CYS 24 0.125 -4.917 -8.374 152 HA CYS 24 HA CYS 24 1.834 -3.427 -6.797 153 1HB CYS 24 HB2 CYS 24 -0.571 -3.002 -6.903 154 2HB CYS 24 HB1 CYS 24 -0.886 -4.519 -6.069 155 H CYS 25 HN CYS 25 1.001 -6.764 -6.598 156 HA CYS 25 HA CYS 25 1.680 -7.241 -3.900 157 1HB CYS 25 HB2 CYS 25 0.963 -8.807 -6.225 158 2HB CYS 25 HB1 CYS 25 2.264 -9.585 -5.331 159 H GLY 26 HN GLY 26 3.555 -7.581 -6.904 160 1HA GLY 26 HA2 GLY 26 5.954 -8.302 -5.486 161 2HA GLY 26 HA1 GLY 26 5.811 -7.995 -7.210 162 H ASN 27 HN ASN 27 4.530 -5.332 -6.596 163 HA ASN 27 HA ASN 27 6.852 -3.787 -6.736 164 1HB ASN 27 HB2 ASN 27 3.981 -3.031 -6.238 165 2HB ASN 27 HB1 ASN 27 5.267 -1.844 -6.432 166 1HD2 ASN 27 HD21 ASN 27 6.694 -2.425 -8.448 167 2HD2 ASN 27 HD22 ASN 27 5.791 -2.696 -9.896 168 H LEU 28 HN LEU 28 4.387 -3.787 -4.220 169 HA LEU 28 HA LEU 28 5.778 -2.288 -2.364 170 1HB LEU 28 HB2 LEU 28 4.320 -3.346 -0.647 171 2HB LEU 28 HB1 LEU 28 3.461 -2.667 -2.016 172 HG LEU 28 HG LEU 28 3.723 -5.213 -2.858 173 1HD1 LEU 28 HD11 LEU 28 3.264 -5.496 0.099 174 2HD1 LEU 28 HD12 LEU 28 4.840 -5.755 -0.651 175 3HD1 LEU 28 HD13 LEU 28 3.469 -6.768 -1.105 176 1HD2 LEU 28 HD21 LEU 28 1.465 -5.295 -2.657 177 2HD2 LEU 28 HD22 LEU 28 1.687 -3.581 -2.306 178 3HD2 LEU 28 HD23 LEU 28 1.481 -4.733 -0.986 179 H ARG 29 HN ARG 29 6.177 -5.578 -3.286 180 HA ARG 29 HA ARG 29 7.477 -6.549 -1.024 181 1HB ARG 29 HB2 ARG 29 7.031 -7.415 -3.773 182 2HB ARG 29 HB1 ARG 29 8.572 -7.959 -3.128 183 1HG ARG 29 HG2 ARG 29 6.590 -9.510 -2.873 184 2HG ARG 29 HG1 ARG 29 7.554 -9.199 -1.431 185 1HD ARG 29 HD2 ARG 29 5.373 -7.306 -1.778 186 2HD ARG 29 HD1 ARG 29 4.817 -8.973 -1.641 187 HE ARG 29 HE ARG 29 5.806 -7.358 0.452 188 1HH1 ARG 29 HH11 ARG 29 5.929 -10.634 -0.747 189 2HH1 ARG 29 HH12 ARG 29 6.213 -11.327 0.814 190 1HH2 ARG 29 HH21 ARG 29 6.180 -8.269 2.507 191 2HH2 ARG 29 HH22 ARG 29 6.355 -9.985 2.661 192 H ALA 30 HN ALA 30 8.779 -5.299 -4.042 193 HA ALA 30 HA ALA 30 11.463 -5.507 -3.514 194 1HB ALA 30 HB1 ALA 30 10.966 -2.984 -4.791 195 2HB ALA 30 HB2 ALA 30 9.881 -4.217 -5.434 196 3HB ALA 30 HB3 ALA 30 11.625 -4.470 -5.474 197 H GLN 31 HN GLN 31 9.131 -3.401 -2.114 198 HA GLN 31 HA GLN 31 11.060 -1.566 -0.995 199 1HB GLN 31 HB2 GLN 31 8.223 -1.762 -0.057 200 2HB GLN 31 HB1 GLN 31 9.255 -0.344 -0.187 201 1HG GLN 31 HG2 GLN 31 9.033 -1.232 -2.790 202 2HG GLN 31 HG1 GLN 31 7.429 -1.497 -2.112 203 1HE2 GLN 31 HE21 GLN 31 9.811 0.832 -3.021 204 2HE2 GLN 31 HE22 GLN 31 8.808 2.237 -2.846 205 H GLN 32 HN GLN 32 8.558 -3.508 0.630 206 HA GLN 32 HA GLN 32 8.508 -4.461 2.692 207 1HB GLN 32 HB2 GLN 32 10.355 -5.725 1.125 208 2HB GLN 32 HB1 GLN 32 11.278 -5.394 2.585 209 1HG GLN 32 HG2 GLN 32 10.340 -7.142 3.559 210 2HG GLN 32 HG1 GLN 32 8.762 -6.372 3.394 211 1HE2 GLN 32 HE21 GLN 32 8.124 -6.461 0.872 212 2HE2 GLN 32 HE22 GLN 32 8.115 -8.070 0.245 213 H GLY 33 HN GLY 33 9.784 -1.704 2.407 214 1HA GLY 33 HA2 GLY 33 10.868 -1.633 5.138 215 2HA GLY 33 HA1 GLY 33 11.766 -0.860 3.838 216 H CYS 34 HN CYS 34 10.753 0.915 2.707 217 HA CYS 34 HA CYS 34 9.562 2.775 4.394 218 1HB CYS 34 HB2 CYS 34 10.851 3.071 2.147 219 2HB CYS 34 HB1 CYS 34 9.241 2.953 1.465 220 H PHE 35 HN PHE 35 8.276 0.478 2.175 221 HA PHE 35 HA PHE 35 5.658 1.351 1.898 222 1HB PHE 35 HB2 PHE 35 5.791 -0.431 0.537 223 2HB PHE 35 HB1 PHE 35 7.178 -1.051 1.419 224 HD1 PHE 35 HD1 PHE 35 6.842 -2.566 3.342 225 HD2 PHE 35 HD2 PHE 35 3.632 -1.368 0.819 226 HE1 PHE 35 HE1 PHE 35 5.500 -4.454 4.164 227 HE2 PHE 35 HE2 PHE 35 2.280 -3.251 1.641 228 HZ PHE 35 HZ PHE 35 3.211 -4.797 3.318 229 H CYS 36 HN CYS 36 7.079 -0.716 4.338 230 HA CYS 36 HA CYS 36 4.713 -1.225 5.790 231 1HB CYS 36 HB2 CYS 36 7.037 -2.386 5.924 232 2HB CYS 36 HB1 CYS 36 7.418 -1.127 7.094 233 H GLN 37 HN GLN 37 7.377 1.038 6.512 234 HA GLN 37 HA GLN 37 6.067 2.271 8.656 235 1HB GLN 37 HB2 GLN 37 7.795 4.057 8.396 236 2HB GLN 37 HB1 GLN 37 8.444 2.431 8.537 237 1HG GLN 37 HG2 GLN 37 8.831 2.338 6.158 238 2HG GLN 37 HG1 GLN 37 8.079 3.919 5.947 239 1HE2 GLN 37 HE21 GLN 37 10.320 4.100 4.885 240 2HE2 GLN 37 HE22 GLN 37 11.573 4.733 5.889 241 H TYR 38 HN TYR 38 5.832 2.685 5.259 242 HA TYR 38 HA TYR 38 4.968 5.335 5.079 243 1HB TYR 38 HB2 TYR 38 4.841 2.931 3.395 244 2HB TYR 38 HB1 TYR 38 3.521 4.060 3.118 245 HD1 TYR 38 HD1 TYR 38 5.045 6.626 3.661 246 HD2 TYR 38 HD2 TYR 38 6.038 3.177 1.379 247 HE1 TYR 38 HE1 TYR 38 6.512 7.995 2.244 248 HE2 TYR 38 HE2 TYR 38 7.510 4.536 -0.044 249 HH TYR 38 HH TYR 38 7.814 6.850 -0.699 250 H ALA 39 HN ALA 39 3.434 2.604 6.452 251 HA ALA 39 HA ALA 39 0.756 3.038 6.072 252 1HB ALA 39 HB1 ALA 39 1.705 2.273 8.786 253 2HB ALA 39 HB2 ALA 39 2.043 1.215 7.416 254 3HB ALA 39 HB3 ALA 39 0.377 1.615 7.831 255 H LYS 40 HN LYS 40 2.960 4.970 7.880 256 HA LYS 40 HA LYS 40 0.790 6.375 9.242 257 1HB LYS 40 HB2 LYS 40 3.116 5.633 10.261 258 2HB LYS 40 HB1 LYS 40 3.646 7.160 9.570 259 1HG LYS 40 HG2 LYS 40 2.959 8.111 11.452 260 2HG LYS 40 HG1 LYS 40 1.312 7.822 10.888 261 1HD LYS 40 HD2 LYS 40 1.380 6.905 13.050 262 2HD LYS 40 HD1 LYS 40 1.526 5.519 11.966 263 1HE LYS 40 HE2 LYS 40 3.867 5.366 12.344 264 2HE LYS 40 HE1 LYS 40 3.899 6.922 13.174 265 1HZ LYS 40 HZ1 LYS 40 3.804 4.591 14.439 266 2HZ LYS 40 HZ2 LYS 40 2.147 4.905 14.315 267 3HZ LYS 40 HZ3 LYS 40 3.162 6.018 15.084 268 H ASP 41 HN ASP 41 2.981 6.724 6.608 269 HA ASP 41 HA ASP 41 3.124 9.491 6.348 270 1HB ASP 41 HB2 ASP 41 4.495 7.982 5.014 271 2HB ASP 41 HB1 ASP 41 3.059 7.378 4.183 272 HA PRO 42 HA PRO 42 -1.227 10.084 5.283 273 1HB PRO 42 HB2 PRO 42 -1.476 12.560 6.225 274 2HB PRO 42 HB1 PRO 42 -1.318 11.185 7.325 275 1HG PRO 42 HG2 PRO 42 0.715 13.213 6.520 276 2HG PRO 42 HG1 PRO 42 0.461 12.442 8.094 277 1HD PRO 42 HD2 PRO 42 2.368 11.696 6.179 278 2HD PRO 42 HD1 PRO 42 1.854 10.727 7.572 279 H THR 43 HN THR 43 1.585 11.633 4.112 280 HA THR 43 HA THR 43 0.656 13.731 2.588 281 HB THR 43 HB THR 43 2.594 12.415 1.009 282 HG1 THR 43 HG1 THR 43 3.364 12.370 3.725 283 1HG2 THR 43 HG21 THR 43 3.007 14.629 1.115 284 2HG2 THR 43 HG22 THR 43 4.103 14.104 2.393 285 3HG2 THR 43 HG23 THR 43 2.516 14.756 2.804 286 H TYR 44 HN TYR 44 0.260 10.319 2.040 287 HA TYR 44 HA TYR 44 -0.392 10.442 -0.713 288 1HB TYR 44 HB2 TYR 44 -1.184 8.410 1.384 289 2HB TYR 44 HB1 TYR 44 -1.386 8.200 -0.352 290 HD1 TYR 44 HD1 TYR 44 0.369 6.769 1.976 291 HD2 TYR 44 HD2 TYR 44 1.177 9.291 -1.354 292 HE1 TYR 44 HE1 TYR 44 2.639 5.837 1.829 293 HE2 TYR 44 HE2 TYR 44 3.450 8.364 -1.511 294 HH TYR 44 HH TYR 44 5.072 7.224 -0.157 295 H GLY 45 HN GLY 45 -2.528 10.040 2.127 296 1HA GLY 45 HA2 GLY 45 -4.445 11.593 2.284 297 2HA GLY 45 HA1 GLY 45 -4.648 11.372 0.553 298 H GLN 46 HN GLN 46 -4.851 9.742 3.674 299 HA GLN 46 HA GLN 46 -6.120 8.010 4.422 300 1HB GLN 46 HB2 GLN 46 -7.826 9.623 3.343 301 2HB GLN 46 HB1 GLN 46 -7.915 8.425 2.061 302 1HG GLN 46 HG2 GLN 46 -8.192 6.945 4.384 303 2HG GLN 46 HG1 GLN 46 -9.115 8.415 4.692 304 1HE2 GLN 46 HE21 GLN 46 -8.552 6.560 1.727 305 2HE2 GLN 46 HE22 GLN 46 -10.229 6.267 1.386 306 H TYR 47 HN TYR 47 -4.070 7.644 2.264 307 HA TYR 47 HA TYR 47 -4.858 5.587 0.521 308 1HB TYR 47 HB2 TYR 47 -2.744 7.128 0.560 309 2HB TYR 47 HB1 TYR 47 -2.080 5.808 1.514 310 HD1 TYR 47 HD1 TYR 47 -1.455 3.735 0.515 311 HD2 TYR 47 HD2 TYR 47 -3.418 6.735 -1.768 312 HE1 TYR 47 HE1 TYR 47 -0.899 2.515 -1.548 313 HE2 TYR 47 HE2 TYR 47 -2.871 5.524 -3.842 314 HH TYR 47 HH TYR 47 -1.629 2.322 -3.826 315 H ILE 48 HN ILE 48 -2.971 5.457 3.524 316 HA ILE 48 HA ILE 48 -2.950 2.625 3.645 317 HB ILE 48 HB ILE 48 -2.446 4.580 5.887 318 1HG1 ILE 48 HG12 ILE 48 -1.059 4.957 3.827 319 2HG1 ILE 48 HG11 ILE 48 -0.127 4.544 5.261 320 1HG2 ILE 48 HG21 ILE 48 -1.086 2.755 6.830 321 2HG2 ILE 48 HG22 ILE 48 -1.621 1.703 5.519 322 3HG2 ILE 48 HG23 ILE 48 -2.790 2.322 6.686 323 1HD1 ILE 48 HD11 ILE 48 -0.744 2.828 2.882 324 2HD1 ILE 48 HD12 ILE 48 -0.149 2.157 4.400 325 3HD1 ILE 48 HD13 ILE 48 0.829 3.322 3.507 326 H ARG 49 HN ARG 49 -4.986 5.117 5.102 327 HA ARG 49 HA ARG 49 -6.401 3.214 6.727 328 1HB ARG 49 HB2 ARG 49 -7.249 6.044 6.144 329 2HB ARG 49 HB1 ARG 49 -7.693 5.053 7.526 330 1HG ARG 49 HG2 ARG 49 -5.677 5.368 8.577 331 2HG ARG 49 HG1 ARG 49 -4.821 5.696 7.069 332 1HD ARG 49 HD2 ARG 49 -5.231 7.889 7.193 333 2HD ARG 49 HD1 ARG 49 -6.921 7.634 7.623 334 HE ARG 49 HE ARG 49 -5.293 7.032 9.836 335 1HH1 ARG 49 HH11 ARG 49 -6.382 9.765 7.960 336 2HH1 ARG 49 HH12 ARG 49 -6.262 10.879 9.280 337 1HH2 ARG 49 HH21 ARG 49 -5.132 8.496 11.574 338 2HH2 ARG 49 HH22 ARG 49 -5.552 10.159 11.332 339 H SER 50 HN SER 50 -6.407 2.893 3.799 340 HA SER 50 HA SER 50 -9.115 3.382 2.972 341 1HB SER 50 HB2 SER 50 -6.882 3.225 1.553 342 2HB SER 50 HB1 SER 50 -7.364 1.533 1.486 343 HG SER 50 HG SER 50 -8.296 3.531 0.042 344 HA PRO 51 HA PRO 51 -10.714 -0.519 4.278 345 1HB PRO 51 HB2 PRO 51 -12.772 -0.762 2.438 346 2HB PRO 51 HB1 PRO 51 -12.842 0.176 3.928 347 1HG PRO 51 HG2 PRO 51 -12.786 1.120 1.199 348 2HG PRO 51 HG1 PRO 51 -13.012 2.047 2.688 349 1HD PRO 51 HD2 PRO 51 -10.645 1.780 1.031 350 2HD PRO 51 HD1 PRO 51 -10.946 2.896 2.376 351 H HIS 52 HN HIS 52 -10.341 -0.142 0.789 352 HA HIS 52 HA HIS 52 -10.212 -2.970 0.308 353 1HB HIS 52 HB2 HIS 52 -9.299 -1.081 -1.785 354 2HB HIS 52 HB1 HIS 52 -10.396 -2.453 -1.908 355 HD1 HIS 52 HD1 HIS 52 -10.764 0.667 -2.886 356 HD2 HIS 52 HD2 HIS 52 -12.650 -1.290 0.253 357 HE1 HIS 52 HE1 HIS 52 -12.878 1.960 -2.450 358 HE2 HIS 52 HE2 HIS 52 -13.981 0.781 -0.526 359 H ALA 53 HN ALA 53 -7.951 -0.375 0.752 360 HA ALA 53 HA ALA 53 -5.659 -1.418 -0.355 361 1HB ALA 53 HB1 ALA 53 -4.410 -0.028 1.229 362 2HB ALA 53 HB2 ALA 53 -5.889 0.220 2.156 363 3HB ALA 53 HB3 ALA 53 -5.765 0.842 0.510 364 H ARG 54 HN ARG 54 -7.028 -2.036 2.810 365 HA ARG 54 HA ARG 54 -4.935 -3.608 3.786 366 1HB ARG 54 HB2 ARG 54 -6.202 -3.000 5.553 367 2HB ARG 54 HB1 ARG 54 -7.669 -2.918 4.590 368 1HG ARG 54 HG2 ARG 54 -8.032 -5.248 4.795 369 2HG ARG 54 HG1 ARG 54 -6.435 -5.496 5.504 370 1HD ARG 54 HD2 ARG 54 -7.784 -5.522 7.376 371 2HD ARG 54 HD1 ARG 54 -7.286 -3.832 7.315 372 HE ARG 54 HE ARG 54 -9.591 -3.832 5.912 373 1HH1 ARG 54 HH11 ARG 54 -8.734 -5.053 9.067 374 2HH1 ARG 54 HH12 ARG 54 -10.316 -4.813 9.728 375 1HH2 ARG 54 HH21 ARG 54 -11.673 -3.515 6.781 376 2HH2 ARG 54 HH22 ARG 54 -11.985 -3.940 8.431 377 H ASP 55 HN ASP 55 -7.671 -4.294 1.781 378 HA ASP 55 HA ASP 55 -7.616 -7.110 2.041 379 1HB ASP 55 HB2 ASP 55 -9.484 -5.547 1.113 380 2HB ASP 55 HB1 ASP 55 -8.621 -5.775 -0.404 381 H THR 56 HN THR 56 -6.186 -4.841 -0.182 382 HA THR 56 HA THR 56 -5.160 -6.599 -2.056 383 HB THR 56 HB THR 56 -3.658 -4.176 -1.259 384 HG1 THR 56 HG1 THR 56 -5.172 -2.865 -2.087 385 1HG2 THR 56 HG21 THR 56 -4.480 -4.779 -4.035 386 2HG2 THR 56 HG22 THR 56 -3.190 -5.739 -3.310 387 3HG2 THR 56 HG23 THR 56 -3.024 -3.987 -3.432 388 H LEU 57 HN LEU 57 -3.633 -5.300 0.870 389 HA LEU 57 HA LEU 57 -1.197 -6.592 0.608 390 1HB LEU 57 HB2 LEU 57 -2.623 -5.171 2.677 391 2HB LEU 57 HB1 LEU 57 -1.603 -6.442 3.330 392 HG LEU 57 HG LEU 57 -0.083 -5.018 1.411 393 1HD1 LEU 57 HD11 LEU 57 -0.344 -2.812 1.798 394 2HD1 LEU 57 HD12 LEU 57 -0.835 -3.053 3.475 395 3HD1 LEU 57 HD13 LEU 57 -1.995 -3.307 2.170 396 1HD2 LEU 57 HD21 LEU 57 1.000 -6.104 3.185 397 2HD2 LEU 57 HD22 LEU 57 -0.009 -5.312 4.395 398 3HD2 LEU 57 HD23 LEU 57 1.203 -4.383 3.513 399 H THR 58 HN THR 58 -4.051 -7.569 2.415 400 HA THR 58 HA THR 58 -3.057 -10.004 3.343 401 HB THR 58 HB THR 58 -5.955 -9.457 2.705 402 HG1 THR 58 HG1 THR 58 -4.370 -8.551 4.861 403 1HG2 THR 58 HG21 THR 58 -6.468 -10.863 4.555 404 2HG2 THR 58 HG22 THR 58 -4.763 -11.015 4.982 405 3HG2 THR 58 HG23 THR 58 -5.367 -11.738 3.491 406 H SER 59 HN SER 59 -4.890 -9.197 0.423 407 HA SER 59 HA SER 59 -5.307 -11.697 -0.625 408 1HB SER 59 HB2 SER 59 -5.907 -9.315 -1.502 409 2HB SER 59 HB1 SER 59 -4.397 -9.495 -2.381 410 HG SER 59 HG SER 59 -5.341 -10.820 -3.703 411 H CYS 60 HN CYS 60 -2.440 -9.803 -0.408 412 HA CYS 60 HA CYS 60 -0.842 -11.392 -2.165 413 1HB CYS 60 HB2 CYS 60 -0.646 -8.877 -1.163 414 2HB CYS 60 HB1 CYS 60 0.456 -9.732 -0.094 415 H GLY 61 HN GLY 61 -1.392 -11.172 1.326 416 1HA GLY 61 HA2 GLY 61 -1.057 -12.766 2.957 417 2HA GLY 61 HA1 GLY 61 -0.561 -13.887 1.700 418 H LEU 62 HN LEU 62 0.741 -10.809 2.975 419 HA LEU 62 HA LEU 62 3.290 -12.222 3.411 420 1HB LEU 62 HB2 LEU 62 3.795 -9.439 3.056 421 2HB LEU 62 HB1 LEU 62 4.384 -10.791 2.114 422 HG LEU 62 HG LEU 62 1.648 -9.740 1.538 423 1HD1 LEU 62 HD11 LEU 62 2.338 -7.725 0.936 424 2HD1 LEU 62 HD12 LEU 62 3.494 -8.451 -0.179 425 3HD1 LEU 62 HD13 LEU 62 3.972 -8.102 1.481 426 1HD2 LEU 62 HD21 LEU 62 3.316 -10.315 -0.716 427 2HD2 LEU 62 HD22 LEU 62 1.847 -11.130 -0.186 428 3HD2 LEU 62 HD23 LEU 62 3.412 -11.647 0.436 429 H ALA 63 HN ALA 63 2.331 -8.899 4.170 430 HA ALA 63 HA ALA 63 2.134 -9.524 6.981 431 1HB ALA 63 HB1 ALA 63 4.284 -7.704 5.921 432 2HB ALA 63 HB2 ALA 63 4.510 -9.230 6.775 433 3HB ALA 63 HB3 ALA 63 3.833 -7.838 7.620 434 H VAL 64 HN VAL 64 1.645 -7.503 8.273 435 HA VAL 64 HA VAL 64 -0.108 -5.775 6.709 436 HB VAL 64 HB VAL 64 -1.174 -7.230 8.442 437 1HG1 VAL 64 HG11 VAL 64 0.057 -5.396 10.475 438 2HG1 VAL 64 HG12 VAL 64 0.775 -6.949 10.050 439 3HG1 VAL 64 HG13 VAL 64 -0.846 -6.887 10.741 440 1HG2 VAL 64 HG21 VAL 64 -2.522 -5.386 9.463 441 2HG2 VAL 64 HG22 VAL 64 -2.360 -5.291 7.709 442 3HG2 VAL 64 HG23 VAL 64 -1.391 -4.240 8.742 443 HA PRO 65 HA PRO 65 2.556 -2.334 7.588 444 1HB PRO 65 HB2 PRO 65 0.622 -0.356 7.650 445 2HB PRO 65 HB1 PRO 65 1.376 -0.981 6.181 446 1HG PRO 65 HG2 PRO 65 -1.241 -1.705 7.428 447 2HG PRO 65 HG1 PRO 65 -0.846 -1.456 5.717 448 1HD PRO 65 HD2 PRO 65 -1.094 -3.917 6.718 449 2HD PRO 65 HD1 PRO 65 0.163 -3.545 5.519 450 H HIS 66 HN HIS 66 1.854 -0.074 9.026 451 HA HIS 66 HA HIS 66 1.786 0.756 11.141 452 1HB HIS 66 HB2 HIS 66 -0.116 -1.567 11.467 453 2HB HIS 66 HB1 HIS 66 0.204 -0.407 12.752 454 HD1 HIS 66 HD1 HIS 66 -1.658 -0.851 9.584 455 HD2 HIS 66 HD2 HIS 66 -0.809 2.207 12.261 456 HE1 HIS 66 HE1 HIS 66 -3.247 1.008 9.014 457 HE2 HIS 66 HE2 HIS 66 -2.780 2.811 10.705 458 H CYS 67 HN CYS 67 3.846 -1.143 10.371 459 HA CYS 67 HA CYS 67 4.376 -2.805 12.662 460 1HB CYS 67 HB2 CYS 67 6.551 -3.236 11.502 461 2HB CYS 67 HB1 CYS 67 5.135 -3.588 10.517 Start of MODEL 5 1 1H ALA 1 HT1 ALA 1 15.188 2.823 -5.862 2 2H ALA 1 HT2 ALA 1 14.820 1.170 -5.585 3 3H ALA 1 HT3 ALA 1 16.336 1.807 -5.094 4 HA ALA 1 HA ALA 1 15.205 1.724 -3.160 5 1HB ALA 1 HB1 ALA 1 14.303 4.448 -3.963 6 2HB ALA 1 HB2 ALA 1 16.025 4.072 -3.980 7 3HB ALA 1 HB3 ALA 1 15.103 3.915 -2.485 8 H CYS 2 HN CYS 2 13.165 2.586 -1.945 9 HA CYS 2 HA CYS 2 10.894 1.333 -3.233 10 1HB CYS 2 HB2 CYS 2 9.782 1.726 -1.016 11 2HB CYS 2 HB1 CYS 2 11.248 0.755 -0.934 12 H GLN 3 HN GLN 3 11.126 3.263 -4.836 13 HA GLN 3 HA GLN 3 10.177 5.813 -4.099 14 1HB GLN 3 HB2 GLN 3 11.363 4.913 -6.292 15 2HB GLN 3 HB1 GLN 3 9.703 4.765 -6.851 16 1HG GLN 3 HG2 GLN 3 9.856 6.887 -7.468 17 2HG GLN 3 HG1 GLN 3 9.785 7.291 -5.754 18 1HE2 GLN 3 HE21 GLN 3 11.405 7.932 -8.470 19 2HE2 GLN 3 HE22 GLN 3 12.962 8.318 -7.829 20 H ALA 4 HN ALA 4 8.144 6.798 -4.541 21 HA ALA 4 HA ALA 4 5.923 5.255 -3.746 22 1HB ALA 4 HB1 ALA 4 4.956 7.239 -3.424 23 2HB ALA 4 HB2 ALA 4 5.225 7.735 -5.095 24 3HB ALA 4 HB3 ALA 4 6.503 7.943 -3.896 25 H SER 5 HN SER 5 7.230 6.062 -6.864 26 HA SER 5 HA SER 5 5.022 5.745 -8.510 27 1HB SER 5 HB2 SER 5 7.643 6.238 -8.952 28 2HB SER 5 HB1 SER 5 7.554 4.561 -9.492 29 HG SER 5 HG SER 5 7.048 6.399 -11.032 30 H GLN 6 HN GLN 6 6.863 3.348 -6.793 31 HA GLN 6 HA GLN 6 6.018 1.106 -8.273 32 1HB GLN 6 HB2 GLN 6 7.205 1.450 -5.535 33 2HB GLN 6 HB1 GLN 6 6.721 -0.130 -6.135 34 1HG GLN 6 HG2 GLN 6 8.244 0.151 -8.044 35 2HG GLN 6 HG1 GLN 6 8.758 1.701 -7.381 36 1HE2 GLN 6 HE21 GLN 6 10.046 1.745 -5.545 37 2HE2 GLN 6 HE22 GLN 6 10.875 0.345 -4.965 38 H LEU 7 HN LEU 7 4.401 3.131 -6.118 39 HA LEU 7 HA LEU 7 2.424 1.055 -5.466 40 1HB LEU 7 HB2 LEU 7 2.345 3.713 -4.145 41 2HB LEU 7 HB1 LEU 7 1.953 2.130 -3.502 42 HG LEU 7 HG LEU 7 4.798 2.925 -4.081 43 1HD1 LEU 7 HD11 LEU 7 3.052 3.703 -1.809 44 2HD1 LEU 7 HD12 LEU 7 4.396 4.567 -2.557 45 3HD1 LEU 7 HD13 LEU 7 4.713 3.229 -1.452 46 1HD2 LEU 7 HD21 LEU 7 4.880 1.258 -1.988 47 2HD2 LEU 7 HD22 LEU 7 4.903 0.702 -3.662 48 3HD2 LEU 7 HD23 LEU 7 3.394 0.688 -2.749 49 H ALA 8 HN ALA 8 2.955 3.913 -7.286 50 HA ALA 8 HA ALA 8 0.537 5.153 -7.454 51 1HB ALA 8 HB1 ALA 8 1.135 5.699 -9.812 52 2HB ALA 8 HB2 ALA 8 2.493 4.584 -9.661 53 3HB ALA 8 HB3 ALA 8 2.414 6.021 -8.641 54 H VAL 9 HN VAL 9 1.550 2.578 -9.639 55 HA VAL 9 HA VAL 9 -0.815 2.174 -10.971 56 HB VAL 9 HB VAL 9 1.271 1.103 -11.649 57 1HG1 VAL 9 HG11 VAL 9 1.409 -1.233 -10.155 58 2HG1 VAL 9 HG12 VAL 9 1.156 0.039 -8.961 59 3HG1 VAL 9 HG13 VAL 9 2.516 0.137 -10.079 60 1HG2 VAL 9 HG21 VAL 9 -1.188 0.117 -12.007 61 2HG2 VAL 9 HG22 VAL 9 -0.456 -1.252 -11.170 62 3HG2 VAL 9 HG23 VAL 9 0.256 -0.651 -12.667 63 H CYS 10 HN CYS 10 0.038 1.248 -7.761 64 HA CYS 10 HA CYS 10 -1.970 -0.743 -7.378 65 1HB CYS 10 HB2 CYS 10 0.201 -0.204 -6.007 66 2HB CYS 10 HB1 CYS 10 -0.859 0.897 -5.131 67 H ALA 11 HN ALA 11 -1.796 2.710 -7.049 68 HA ALA 11 HA ALA 11 -3.862 3.383 -5.424 69 1HB ALA 11 HB1 ALA 11 -3.078 4.670 -8.029 70 2HB ALA 11 HB2 ALA 11 -2.502 5.081 -6.413 71 3HB ALA 11 HB3 ALA 11 -4.179 5.398 -6.859 72 H SER 12 HN SER 12 -4.078 1.962 -8.568 73 HA SER 12 HA SER 12 -6.629 2.544 -9.377 74 1HB SER 12 HB2 SER 12 -4.726 0.918 -10.334 75 2HB SER 12 HB1 SER 12 -5.797 -0.299 -9.639 76 HG SER 12 HG SER 12 -7.493 0.613 -10.888 77 H ALA 13 HN ALA 13 -5.609 0.397 -6.818 78 HA ALA 13 HA ALA 13 -8.326 -0.527 -6.387 79 1HB ALA 13 HB1 ALA 13 -6.483 -2.167 -6.362 80 2HB ALA 13 HB2 ALA 13 -7.385 -2.127 -4.847 81 3HB ALA 13 HB3 ALA 13 -5.808 -1.345 -4.955 82 H ILE 14 HN ILE 14 -5.840 1.448 -4.894 83 HA ILE 14 HA ILE 14 -7.229 1.793 -2.414 84 HB ILE 14 HB ILE 14 -4.966 3.388 -3.626 85 1HG1 ILE 14 HG12 ILE 14 -3.805 2.118 -1.612 86 2HG1 ILE 14 HG11 ILE 14 -5.124 0.976 -1.865 87 1HG2 ILE 14 HG21 ILE 14 -5.528 4.908 -2.075 88 2HG2 ILE 14 HG22 ILE 14 -4.797 3.776 -0.937 89 3HG2 ILE 14 HG23 ILE 14 -6.543 3.773 -1.187 90 1HD1 ILE 14 HD11 ILE 14 -3.880 1.675 -4.366 91 2HD1 ILE 14 HD12 ILE 14 -4.101 0.093 -3.618 92 3HD1 ILE 14 HD13 ILE 14 -2.693 1.073 -3.209 93 H LEU 15 HN LEU 15 -6.527 4.067 -5.080 94 HA LEU 15 HA LEU 15 -8.418 5.986 -4.125 95 1HB LEU 15 HB2 LEU 15 -6.904 5.756 -6.721 96 2HB LEU 15 HB1 LEU 15 -7.951 7.106 -6.328 97 HG LEU 15 HG LEU 15 -5.540 6.321 -4.692 98 1HD1 LEU 15 HD11 LEU 15 -4.254 7.875 -5.820 99 2HD1 LEU 15 HD12 LEU 15 -5.658 8.702 -6.495 100 3HD1 LEU 15 HD13 LEU 15 -5.175 7.128 -7.126 101 1HD2 LEU 15 HD21 LEU 15 -7.316 7.565 -3.507 102 2HD2 LEU 15 HD22 LEU 15 -7.184 8.849 -4.708 103 3HD2 LEU 15 HD23 LEU 15 -5.818 8.483 -3.656 104 H SER 16 HN SER 16 -8.338 4.526 -7.368 105 HA SER 16 HA SER 16 -10.968 4.991 -8.032 106 1HB SER 16 HB2 SER 16 -8.863 3.828 -9.298 107 2HB SER 16 HB1 SER 16 -9.895 2.424 -9.025 108 HG SER 16 HG SER 16 -10.282 3.608 -11.022 109 H GLY 17 HN GLY 17 -9.654 1.943 -6.712 110 1HA GLY 17 HA2 GLY 17 -10.717 0.629 -5.062 111 2HA GLY 17 HA1 GLY 17 -12.218 1.484 -5.380 112 H ALA 18 HN ALA 18 -10.396 0.320 -8.074 113 HA ALA 18 HA ALA 18 -12.536 -1.273 -9.002 114 1HB ALA 18 HB1 ALA 18 -11.455 -0.968 -10.912 115 2HB ALA 18 HB2 ALA 18 -10.154 -2.013 -10.341 116 3HB ALA 18 HB3 ALA 18 -10.090 -0.278 -10.035 117 H LYS 19 HN LYS 19 -9.253 -2.444 -8.609 118 HA LYS 19 HA LYS 19 -9.891 -4.470 -6.735 119 1HB LYS 19 HB2 LYS 19 -9.348 -6.371 -8.397 120 2HB LYS 19 HB1 LYS 19 -10.971 -5.696 -8.399 121 1HG LYS 19 HG2 LYS 19 -10.588 -5.720 -10.631 122 2HG LYS 19 HG1 LYS 19 -9.915 -4.132 -10.261 123 1HD LYS 19 HD2 LYS 19 -7.734 -5.616 -9.850 124 2HD LYS 19 HD1 LYS 19 -8.551 -6.651 -11.022 125 1HE LYS 19 HE2 LYS 19 -7.140 -5.199 -12.258 126 2HE LYS 19 HE1 LYS 19 -8.790 -4.623 -12.488 127 1HZ LYS 19 HZ1 LYS 19 -7.353 -2.771 -12.077 128 2HZ LYS 19 HZ2 LYS 19 -6.752 -3.473 -10.660 129 3HZ LYS 19 HZ3 LYS 19 -8.364 -2.966 -10.734 130 HA PRO 20 HA PRO 20 -5.560 -4.656 -6.033 131 1HB PRO 20 HB2 PRO 20 -5.607 -7.598 -6.476 132 2HB PRO 20 HB1 PRO 20 -5.030 -6.678 -5.082 133 1HG PRO 20 HG2 PRO 20 -7.338 -7.999 -4.972 134 2HG PRO 20 HG1 PRO 20 -7.163 -6.407 -4.210 135 1HD PRO 20 HD2 PRO 20 -8.514 -7.146 -6.771 136 2HD PRO 20 HD1 PRO 20 -8.986 -5.944 -5.551 137 H SER 21 HN SER 21 -3.571 -6.264 -6.955 138 HA SER 21 HA SER 21 -3.627 -6.792 -9.724 139 1HB SER 21 HB2 SER 21 -2.845 -4.057 -8.875 140 2HB SER 21 HB1 SER 21 -1.822 -4.828 -10.087 141 HG SER 21 HG SER 21 -3.338 -3.995 -11.336 142 H GLY 22 HN GLY 22 -1.903 -8.015 -10.303 143 1HA GLY 22 HA2 GLY 22 -0.210 -9.055 -8.320 144 2HA GLY 22 HA1 GLY 22 0.001 -9.270 -10.051 145 H GLU 23 HN GLU 23 0.291 -6.454 -10.646 146 HA GLU 23 HA GLU 23 3.036 -6.174 -10.466 147 1HB GLU 23 HB2 GLU 23 1.222 -4.983 -11.934 148 2HB GLU 23 HB1 GLU 23 1.238 -3.785 -10.639 149 1HG GLU 23 HG2 GLU 23 3.907 -4.256 -11.221 150 2HG GLU 23 HG1 GLU 23 3.096 -4.212 -12.783 151 H CYS 24 HN CYS 24 0.500 -4.572 -8.552 152 HA CYS 24 HA CYS 24 2.146 -3.057 -6.922 153 1HB CYS 24 HB2 CYS 24 -0.260 -2.702 -7.011 154 2HB CYS 24 HB1 CYS 24 -0.540 -4.278 -6.280 155 H CYS 25 HN CYS 25 1.435 -6.431 -6.844 156 HA CYS 25 HA CYS 25 2.188 -6.938 -4.155 157 1HB CYS 25 HB2 CYS 25 1.341 -8.473 -6.447 158 2HB CYS 25 HB1 CYS 25 2.707 -9.260 -5.663 159 H GLY 26 HN GLY 26 3.925 -7.358 -7.240 160 1HA GLY 26 HA2 GLY 26 6.353 -8.228 -6.147 161 2HA GLY 26 HA1 GLY 26 6.169 -7.445 -7.709 162 H ASN 27 HN ASN 27 5.176 -4.954 -6.786 163 HA ASN 27 HA ASN 27 7.540 -3.583 -6.320 164 1HB ASN 27 HB2 ASN 27 4.658 -2.880 -6.259 165 2HB ASN 27 HB1 ASN 27 5.787 -1.748 -5.522 166 1HD2 ASN 27 HD21 ASN 27 4.091 -1.839 -8.061 167 2HD2 ASN 27 HD22 ASN 27 5.188 -1.335 -9.296 168 H LEU 28 HN LEU 28 4.862 -4.129 -4.106 169 HA LEU 28 HA LEU 28 5.859 -3.031 -1.816 170 1HB LEU 28 HB2 LEU 28 3.703 -4.650 -2.500 171 2HB LEU 28 HB1 LEU 28 4.536 -5.533 -1.236 172 HG LEU 28 HG LEU 28 3.706 -2.661 -0.962 173 1HD1 LEU 28 HD11 LEU 28 1.994 -3.902 0.639 174 2HD1 LEU 28 HD12 LEU 28 2.187 -5.177 -0.564 175 3HD1 LEU 28 HD13 LEU 28 1.625 -3.579 -1.055 176 1HD2 LEU 28 HD21 LEU 28 4.947 -4.722 0.792 177 2HD2 LEU 28 HD22 LEU 28 3.858 -3.533 1.515 178 3HD2 LEU 28 HD23 LEU 28 5.296 -2.999 0.644 179 H ARG 29 HN ARG 29 6.741 -6.051 -3.286 180 HA ARG 29 HA ARG 29 8.052 -7.151 -1.087 181 1HB ARG 29 HB2 ARG 29 7.717 -7.815 -3.871 182 2HB ARG 29 HB1 ARG 29 9.340 -8.190 -3.305 183 1HG ARG 29 HG2 ARG 29 8.432 -10.118 -2.641 184 2HG ARG 29 HG1 ARG 29 7.836 -9.168 -1.276 185 1HD ARG 29 HD2 ARG 29 5.952 -8.708 -3.224 186 2HD ARG 29 HD1 ARG 29 6.377 -10.398 -3.481 187 HE ARG 29 HE ARG 29 5.101 -9.247 -1.129 188 1HH1 ARG 29 HH11 ARG 29 6.540 -12.053 -2.637 189 2HH1 ARG 29 HH12 ARG 29 5.795 -13.171 -1.547 190 1HH2 ARG 29 HH21 ARG 29 4.127 -10.723 0.303 191 2HH2 ARG 29 HH22 ARG 29 4.428 -12.419 0.121 192 H ALA 30 HN ALA 30 9.349 -5.477 -3.891 193 HA ALA 30 HA ALA 30 12.011 -5.459 -3.216 194 1HB ALA 30 HB1 ALA 30 11.302 -4.620 -5.349 195 2HB ALA 30 HB2 ALA 30 12.168 -3.333 -4.510 196 3HB ALA 30 HB3 ALA 30 10.406 -3.307 -4.584 197 H GLN 31 HN GLN 31 9.375 -3.776 -1.793 198 HA GLN 31 HA GLN 31 10.987 -1.858 -0.360 199 1HB GLN 31 HB2 GLN 31 8.187 -2.441 0.464 200 2HB GLN 31 HB1 GLN 31 9.016 -0.898 0.320 201 1HG GLN 31 HG2 GLN 31 8.937 -1.331 -2.211 202 2HG GLN 31 HG1 GLN 31 7.716 -2.538 -1.814 203 1HE2 GLN 31 HE21 GLN 31 8.442 0.795 -2.124 204 2HE2 GLN 31 HE22 GLN 31 6.854 1.404 -1.785 205 H GLN 32 HN GLN 32 8.657 -4.255 0.875 206 HA GLN 32 HA GLN 32 8.596 -5.391 2.829 207 1HB GLN 32 HB2 GLN 32 10.610 -6.318 1.227 208 2HB GLN 32 HB1 GLN 32 11.414 -6.112 2.778 209 1HG GLN 32 HG2 GLN 32 10.634 -8.203 3.102 210 2HG GLN 32 HG1 GLN 32 9.213 -7.305 3.628 211 1HE2 GLN 32 HE21 GLN 32 8.019 -6.565 1.344 212 2HE2 GLN 32 HE22 GLN 32 7.516 -7.948 0.449 213 H GLY 33 HN GLY 33 9.557 -2.545 2.927 214 1HA GLY 33 HA2 GLY 33 9.891 -2.307 5.683 215 2HA GLY 33 HA1 GLY 33 11.497 -2.287 4.969 216 H CYS 34 HN CYS 34 8.730 -0.971 3.287 217 HA CYS 34 HA CYS 34 9.583 1.708 3.918 218 1HB CYS 34 HB2 CYS 34 10.426 0.698 1.678 219 2HB CYS 34 HB1 CYS 34 8.784 1.043 1.163 220 H PHE 35 HN PHE 35 7.099 -0.375 2.675 221 HA PHE 35 HA PHE 35 5.065 1.475 2.283 222 1HB PHE 35 HB2 PHE 35 3.504 -0.461 2.682 223 2HB PHE 35 HB1 PHE 35 4.717 -0.730 1.439 224 HD1 PHE 35 HD1 PHE 35 6.738 -2.135 2.041 225 HD2 PHE 35 HD2 PHE 35 3.278 -1.868 4.505 226 HE1 PHE 35 HE1 PHE 35 7.374 -4.214 3.158 227 HE2 PHE 35 HE2 PHE 35 3.920 -3.957 5.634 228 HZ PHE 35 HZ PHE 35 5.975 -5.135 4.962 229 H CYS 36 HN CYS 36 5.551 -0.590 5.063 230 HA CYS 36 HA CYS 36 3.587 0.336 6.735 231 1HB CYS 36 HB2 CYS 36 4.912 -1.563 7.384 232 2HB CYS 36 HB1 CYS 36 6.378 -0.590 7.437 233 H GLN 37 HN GLN 37 6.668 1.836 5.995 234 HA GLN 37 HA GLN 37 6.835 3.698 8.023 235 1HB GLN 37 HB2 GLN 37 7.608 4.141 5.142 236 2HB GLN 37 HB1 GLN 37 8.212 5.038 6.527 237 1HG GLN 37 HG2 GLN 37 9.196 2.938 7.396 238 2HG GLN 37 HG1 GLN 37 8.688 2.133 5.912 239 1HE2 GLN 37 HE21 GLN 37 9.306 3.663 3.922 240 2HE2 GLN 37 HE22 GLN 37 10.982 4.085 3.890 241 H TYR 38 HN TYR 38 4.877 3.711 5.148 242 HA TYR 38 HA TYR 38 4.065 6.419 5.257 243 1HB TYR 38 HB2 TYR 38 2.825 3.976 3.992 244 2HB TYR 38 HB1 TYR 38 2.122 5.584 3.840 245 HD1 TYR 38 HD1 TYR 38 4.829 3.375 2.800 246 HD2 TYR 38 HD2 TYR 38 3.278 7.329 2.557 247 HE1 TYR 38 HE1 TYR 38 6.311 3.832 0.893 248 HE2 TYR 38 HE2 TYR 38 4.755 7.796 0.647 249 HH TYR 38 HH TYR 38 6.281 5.465 -1.112 250 H ALA 39 HN ALA 39 3.169 3.656 7.094 251 HA ALA 39 HA ALA 39 0.571 4.230 7.838 252 1HB ALA 39 HB1 ALA 39 2.535 3.094 9.785 253 2HB ALA 39 HB2 ALA 39 2.030 2.180 8.364 254 3HB ALA 39 HB3 ALA 39 0.834 2.689 9.556 255 H LYS 40 HN LYS 40 3.476 5.858 8.678 256 HA LYS 40 HA LYS 40 2.155 7.258 10.888 257 1HB LYS 40 HB2 LYS 40 4.621 6.204 10.849 258 2HB LYS 40 HB1 LYS 40 4.997 7.809 10.239 259 1HG LYS 40 HG2 LYS 40 4.159 8.845 12.205 260 2HG LYS 40 HG1 LYS 40 3.462 7.329 12.779 261 1HD LYS 40 HD2 LYS 40 6.413 7.776 12.354 262 2HD LYS 40 HD1 LYS 40 5.597 7.980 13.905 263 1HE LYS 40 HE2 LYS 40 5.938 5.815 14.277 264 2HE LYS 40 HE1 LYS 40 4.788 5.475 12.985 265 1HZ LYS 40 HZ1 LYS 40 7.527 6.071 12.186 266 2HZ LYS 40 HZ2 LYS 40 6.428 4.960 11.538 267 3HZ LYS 40 HZ3 LYS 40 7.270 4.586 12.956 268 H ASP 41 HN ASP 41 3.175 7.653 7.639 269 HA ASP 41 HA ASP 41 3.453 10.482 7.637 270 1HB ASP 41 HB2 ASP 41 4.429 9.012 5.894 271 2HB ASP 41 HB1 ASP 41 2.799 8.639 5.326 272 HA PRO 42 HA PRO 42 -0.925 11.370 7.789 273 1HB PRO 42 HB2 PRO 42 -0.769 14.050 7.644 274 2HB PRO 42 HB1 PRO 42 -0.294 13.165 9.099 275 1HG PRO 42 HG2 PRO 42 1.424 14.294 6.923 276 2HG PRO 42 HG1 PRO 42 1.669 14.340 8.678 277 1HD PRO 42 HD2 PRO 42 2.918 12.559 7.026 278 2HD PRO 42 HD1 PRO 42 2.559 12.227 8.732 279 H THR 43 HN THR 43 1.126 13.016 5.390 280 HA THR 43 HA THR 43 -0.884 13.822 3.637 281 HB THR 43 HB THR 43 1.300 13.194 2.012 282 HG1 THR 43 HG1 THR 43 2.314 14.236 4.428 283 1HG2 THR 43 HG21 THR 43 0.983 15.329 1.564 284 2HG2 THR 43 HG22 THR 43 1.787 15.740 3.078 285 3HG2 THR 43 HG23 THR 43 0.036 15.536 3.038 286 H TYR 44 HN TYR 44 0.854 10.757 3.854 287 HA TYR 44 HA TYR 44 -0.691 9.677 1.622 288 1HB TYR 44 HB2 TYR 44 1.660 8.633 3.193 289 2HB TYR 44 HB1 TYR 44 0.790 7.644 2.025 290 HD1 TYR 44 HD1 TYR 44 0.408 9.010 -0.315 291 HD2 TYR 44 HD2 TYR 44 3.617 9.561 2.424 292 HE1 TYR 44 HE1 TYR 44 1.789 9.932 -2.128 293 HE2 TYR 44 HE2 TYR 44 5.007 10.486 0.618 294 HH TYR 44 HH TYR 44 5.013 10.209 -2.027 295 H GLY 45 HN GLY 45 -1.608 10.253 4.533 296 1HA GLY 45 HA2 GLY 45 -2.240 7.719 5.665 297 2HA GLY 45 HA1 GLY 45 -2.945 9.263 6.120 298 H GLN 46 HN GLN 46 -3.772 9.695 3.251 299 HA GLN 46 HA GLN 46 -6.369 8.573 3.492 300 1HB GLN 46 HB2 GLN 46 -5.012 10.072 1.252 301 2HB GLN 46 HB1 GLN 46 -6.692 9.559 1.190 302 1HG GLN 46 HG2 GLN 46 -7.164 10.905 3.185 303 2HG GLN 46 HG1 GLN 46 -5.484 11.441 3.205 304 1HE2 GLN 46 HE21 GLN 46 -4.902 13.128 1.992 305 2HE2 GLN 46 HE22 GLN 46 -5.941 13.949 0.868 306 H TYR 47 HN TYR 47 -3.449 7.649 1.871 307 HA TYR 47 HA TYR 47 -4.620 5.807 0.043 308 1HB TYR 47 HB2 TYR 47 -2.273 6.951 0.023 309 2HB TYR 47 HB1 TYR 47 -1.828 5.559 1.003 310 HD1 TYR 47 HD1 TYR 47 -3.256 6.525 -2.271 311 HD2 TYR 47 HD2 TYR 47 -1.373 3.480 0.024 312 HE1 TYR 47 HE1 TYR 47 -2.959 5.181 -4.310 313 HE2 TYR 47 HE2 TYR 47 -1.071 2.126 -2.007 314 HH TYR 47 HH TYR 47 -1.345 3.327 -5.072 315 H ILE 48 HN ILE 48 -2.997 5.479 3.169 316 HA ILE 48 HA ILE 48 -3.253 2.657 3.281 317 HB ILE 48 HB ILE 48 -2.815 4.573 5.570 318 1HG1 ILE 48 HG12 ILE 48 -0.851 3.194 3.728 319 2HG1 ILE 48 HG11 ILE 48 -1.123 4.927 3.872 320 1HG2 ILE 48 HG21 ILE 48 -2.729 2.794 6.895 321 2HG2 ILE 48 HG22 ILE 48 -1.522 2.036 5.856 322 3HG2 ILE 48 HG23 ILE 48 -3.239 1.789 5.538 323 1HD1 ILE 48 HD11 ILE 48 -0.033 3.163 6.051 324 2HD1 ILE 48 HD12 ILE 48 -0.215 4.917 6.107 325 3HD1 ILE 48 HD13 ILE 48 0.931 4.184 4.984 326 H ARG 49 HN ARG 49 -5.293 5.321 4.291 327 HA ARG 49 HA ARG 49 -6.991 3.648 5.894 328 1HB ARG 49 HB2 ARG 49 -7.296 6.501 4.967 329 2HB ARG 49 HB1 ARG 49 -8.442 5.690 6.025 330 1HG ARG 49 HG2 ARG 49 -5.830 5.369 7.109 331 2HG ARG 49 HG1 ARG 49 -6.078 7.072 6.720 332 1HD ARG 49 HD2 ARG 49 -8.202 5.541 8.161 333 2HD ARG 49 HD1 ARG 49 -6.803 6.148 9.045 334 HE ARG 49 HE ARG 49 -9.007 7.672 8.060 335 1HH1 ARG 49 HH11 ARG 49 -5.597 7.813 8.787 336 2HH1 ARG 49 HH12 ARG 49 -5.596 9.525 9.049 337 1HH2 ARG 49 HH21 ARG 49 -9.009 9.923 8.406 338 2HH2 ARG 49 HH22 ARG 49 -7.534 10.723 8.833 339 H SER 50 HN SER 50 -6.614 3.081 3.009 340 HA SER 50 HA SER 50 -9.189 3.515 1.808 341 1HB SER 50 HB2 SER 50 -6.778 3.224 0.719 342 2HB SER 50 HB1 SER 50 -7.303 1.544 0.697 343 HG SER 50 HG SER 50 -8.452 3.767 -0.586 344 HA PRO 51 HA PRO 51 -11.094 -0.172 3.327 345 1HB PRO 51 HB2 PRO 51 -12.921 -0.653 1.397 346 2HB PRO 51 HB1 PRO 51 -13.069 0.703 2.521 347 1HG PRO 51 HG2 PRO 51 -12.077 0.682 -0.302 348 2HG PRO 51 HG1 PRO 51 -13.145 1.848 0.500 349 1HD PRO 51 HD2 PRO 51 -10.486 2.286 0.106 350 2HD PRO 51 HD1 PRO 51 -11.393 2.978 1.465 351 H HIS 52 HN HIS 52 -10.316 -0.252 -0.147 352 HA HIS 52 HA HIS 52 -10.091 -3.121 -0.167 353 1HB HIS 52 HB2 HIS 52 -9.083 -1.356 -2.372 354 2HB HIS 52 HB1 HIS 52 -9.807 -2.956 -2.477 355 HD1 HIS 52 HD1 HIS 52 -12.486 -2.924 -1.688 356 HD2 HIS 52 HD2 HIS 52 -10.794 0.611 -3.070 357 HE1 HIS 52 HE1 HIS 52 -14.424 -1.463 -2.345 358 HE2 HIS 52 HE2 HIS 52 -13.374 0.639 -3.255 359 H ALA 53 HN ALA 53 -7.985 -0.535 0.561 360 HA ALA 53 HA ALA 53 -5.532 -1.415 -0.323 361 1HB ALA 53 HB1 ALA 53 -6.369 0.205 2.035 362 2HB ALA 53 HB2 ALA 53 -5.494 0.705 0.587 363 3HB ALA 53 HB3 ALA 53 -4.678 -0.249 1.827 364 H ARG 54 HN ARG 54 -7.138 -2.157 2.711 365 HA ARG 54 HA ARG 54 -5.179 -3.773 3.822 366 1HB ARG 54 HB2 ARG 54 -8.160 -4.023 4.199 367 2HB ARG 54 HB1 ARG 54 -6.925 -4.651 5.281 368 1HG ARG 54 HG2 ARG 54 -6.343 -2.540 6.049 369 2HG ARG 54 HG1 ARG 54 -7.062 -1.729 4.656 370 1HD ARG 54 HD2 ARG 54 -8.467 -3.040 6.971 371 2HD ARG 54 HD1 ARG 54 -8.504 -1.341 6.501 372 HE ARG 54 HE ARG 54 -9.531 -2.575 4.338 373 1HH1 ARG 54 HH11 ARG 54 -10.275 -2.775 7.742 374 2HH1 ARG 54 HH12 ARG 54 -11.945 -3.153 7.483 375 1HH2 ARG 54 HH21 ARG 54 -11.727 -3.073 3.995 376 2HH2 ARG 54 HH22 ARG 54 -12.769 -3.323 5.356 377 H ASP 55 HN ASP 55 -7.773 -4.544 1.618 378 HA ASP 55 HA ASP 55 -7.472 -7.344 1.698 379 1HB ASP 55 HB2 ASP 55 -9.413 -5.890 0.748 380 2HB ASP 55 HB1 ASP 55 -8.454 -5.955 -0.727 381 H THR 56 HN THR 56 -6.148 -4.864 -0.373 382 HA THR 56 HA THR 56 -4.857 -6.477 -2.220 383 HB THR 56 HB THR 56 -3.661 -3.919 -1.333 384 HG1 THR 56 HG1 THR 56 -5.533 -3.012 -1.527 385 1HG2 THR 56 HG21 THR 56 -3.327 -3.511 -3.674 386 2HG2 THR 56 HG22 THR 56 -4.229 -4.971 -4.084 387 3HG2 THR 56 HG23 THR 56 -2.679 -5.096 -3.252 388 H LEU 57 HN LEU 57 -3.659 -5.096 0.813 389 HA LEU 57 HA LEU 57 -1.076 -6.104 0.656 390 1HB LEU 57 HB2 LEU 57 -2.767 -4.902 2.680 391 2HB LEU 57 HB1 LEU 57 -1.569 -6.000 3.343 392 HG LEU 57 HG LEU 57 -0.212 -4.376 1.497 393 1HD1 LEU 57 HD11 LEU 57 -0.864 -2.230 1.742 394 2HD1 LEU 57 HD12 LEU 57 -1.445 -2.480 3.388 395 3HD1 LEU 57 HD13 LEU 57 -2.434 -2.984 2.018 396 1HD2 LEU 57 HD21 LEU 57 0.465 -3.362 3.921 397 2HD2 LEU 57 HD22 LEU 57 1.120 -4.852 3.242 398 3HD2 LEU 57 HD23 LEU 57 -0.227 -4.918 4.378 399 H THR 58 HN THR 58 -3.909 -7.386 2.290 400 HA THR 58 HA THR 58 -2.707 -9.703 3.279 401 HB THR 58 HB THR 58 -5.602 -9.645 2.504 402 HG1 THR 58 HG1 THR 58 -4.520 -8.317 4.760 403 1HG2 THR 58 HG21 THR 58 -5.055 -10.370 5.213 404 2HG2 THR 58 HG22 THR 58 -4.054 -11.325 4.119 405 3HG2 THR 58 HG23 THR 58 -5.808 -11.315 3.930 406 H SER 59 HN SER 59 -4.427 -9.061 0.256 407 HA SER 59 HA SER 59 -4.560 -11.600 -0.783 408 1HB SER 59 HB2 SER 59 -5.366 -9.305 -1.713 409 2HB SER 59 HB1 SER 59 -3.806 -9.326 -2.521 410 HG SER 59 HG SER 59 -6.057 -10.705 -3.114 411 H CYS 60 HN CYS 60 -1.905 -9.398 -0.545 412 HA CYS 60 HA CYS 60 -0.114 -10.962 -2.154 413 1HB CYS 60 HB2 CYS 60 -0.205 -8.342 -1.439 414 2HB CYS 60 HB1 CYS 60 0.971 -8.952 -0.288 415 H GLY 61 HN GLY 61 -0.875 -10.548 1.253 416 1HA GLY 61 HA2 GLY 61 -0.303 -11.815 3.078 417 2HA GLY 61 HA1 GLY 61 0.272 -13.039 1.956 418 H LEU 62 HN LEU 62 1.293 -9.733 2.839 419 HA LEU 62 HA LEU 62 4.011 -10.813 3.179 420 1HB LEU 62 HB2 LEU 62 4.444 -8.143 2.927 421 2HB LEU 62 HB1 LEU 62 4.577 -9.306 1.628 422 HG LEU 62 HG LEU 62 1.885 -8.555 1.582 423 1HD1 LEU 62 HD11 LEU 62 3.579 -6.361 2.584 424 2HD1 LEU 62 HD12 LEU 62 1.843 -6.624 2.743 425 3HD1 LEU 62 HD13 LEU 62 2.501 -5.968 1.246 426 1HD2 LEU 62 HD21 LEU 62 4.208 -7.534 -0.043 427 2HD2 LEU 62 HD22 LEU 62 2.509 -7.450 -0.505 428 3HD2 LEU 62 HD23 LEU 62 3.302 -9.017 -0.341 429 H ALA 63 HN ALA 63 2.731 -7.672 4.156 430 HA ALA 63 HA ALA 63 2.735 -8.433 6.936 431 1HB ALA 63 HB1 ALA 63 4.436 -6.084 6.216 432 2HB ALA 63 HB2 ALA 63 5.108 -7.715 6.196 433 3HB ALA 63 HB3 ALA 63 4.438 -7.055 7.688 434 H VAL 64 HN VAL 64 1.882 -6.734 8.340 435 HA VAL 64 HA VAL 64 0.073 -4.964 6.888 436 HB VAL 64 HB VAL 64 -0.945 -6.756 8.325 437 1HG1 VAL 64 HG11 VAL 64 -0.956 -6.442 10.743 438 2HG1 VAL 64 HG12 VAL 64 0.154 -5.081 10.578 439 3HG1 VAL 64 HG13 VAL 64 0.681 -6.707 10.143 440 1HG2 VAL 64 HG21 VAL 64 -2.589 -5.230 9.404 441 2HG2 VAL 64 HG22 VAL 64 -2.270 -4.854 7.710 442 3HG2 VAL 64 HG23 VAL 64 -1.539 -3.876 8.984 443 HA PRO 65 HA PRO 65 2.297 -1.444 8.416 444 1HB PRO 65 HB2 PRO 65 0.147 0.289 8.679 445 2HB PRO 65 HB1 PRO 65 1.036 -0.004 7.182 446 1HG PRO 65 HG2 PRO 65 -1.537 -1.192 8.126 447 2HG PRO 65 HG1 PRO 65 -1.088 -0.634 6.502 448 1HD PRO 65 HD2 PRO 65 -1.105 -3.234 7.091 449 2HD PRO 65 HD1 PRO 65 0.167 -2.548 6.060 450 H HIS 66 HN HIS 66 1.294 0.489 10.140 451 HA HIS 66 HA HIS 66 1.111 0.954 12.362 452 1HB HIS 66 HB2 HIS 66 -0.507 -1.601 12.471 453 2HB HIS 66 HB1 HIS 66 -0.535 -0.293 13.649 454 HD1 HIS 66 HD1 HIS 66 -2.486 -1.552 11.012 455 HD2 HIS 66 HD2 HIS 66 -1.328 2.271 12.145 456 HE1 HIS 66 HE1 HIS 66 -4.134 0.004 9.926 457 HE2 HIS 66 HE2 HIS 66 -3.362 2.314 10.554 458 H CYS 67 HN CYS 67 3.344 -0.625 11.413 459 HA CYS 67 HA CYS 67 4.004 -2.779 13.051 460 1HB CYS 67 HB2 CYS 67 6.008 -0.767 12.031 461 2HB CYS 67 HB1 CYS 67 6.258 -2.482 12.340 Start of MODEL 6 1 1H ALA 1 HT1 ALA 1 8.669 6.488 1.074 2 2H ALA 1 HT2 ALA 1 8.920 7.417 2.496 3 3H ALA 1 HT3 ALA 1 9.901 6.044 2.180 4 HA ALA 1 HA ALA 1 9.783 8.320 0.346 5 1HB ALA 1 HB1 ALA 1 10.382 9.283 2.459 6 2HB ALA 1 HB2 ALA 1 11.837 9.151 1.471 7 3HB ALA 1 HB3 ALA 1 11.545 7.993 2.768 8 H CYS 2 HN CYS 2 9.887 5.529 -0.208 9 HA CYS 2 HA CYS 2 12.705 5.131 -0.949 10 1HB CYS 2 HB2 CYS 2 10.529 3.042 -1.056 11 2HB CYS 2 HB1 CYS 2 12.273 2.796 -1.071 12 H GLN 3 HN GLN 3 9.551 4.200 -2.334 13 HA GLN 3 HA GLN 3 10.059 5.611 -4.776 14 1HB GLN 3 HB2 GLN 3 10.738 2.761 -4.548 15 2HB GLN 3 HB1 GLN 3 9.693 3.147 -5.909 16 1HG GLN 3 HG2 GLN 3 11.303 4.281 -7.006 17 2HG GLN 3 HG1 GLN 3 12.034 4.897 -5.525 18 1HE2 GLN 3 HE21 GLN 3 14.108 4.338 -5.769 19 2HE2 GLN 3 HE22 GLN 3 14.678 2.723 -6.000 20 H ALA 4 HN ALA 4 8.100 6.472 -4.970 21 HA ALA 4 HA ALA 4 5.725 5.030 -4.234 22 1HB ALA 4 HB1 ALA 4 6.389 7.814 -4.951 23 2HB ALA 4 HB2 ALA 4 5.353 7.187 -3.669 24 3HB ALA 4 HB3 ALA 4 4.752 7.275 -5.324 25 H SER 5 HN SER 5 7.477 5.781 -7.126 26 HA SER 5 HA SER 5 5.381 5.407 -8.990 27 1HB SER 5 HB2 SER 5 8.297 4.881 -9.547 28 2HB SER 5 HB1 SER 5 7.057 5.448 -10.665 29 HG SER 5 HG SER 5 7.122 7.427 -9.755 30 H GLN 6 HN GLN 6 7.010 3.181 -7.014 31 HA GLN 6 HA GLN 6 6.794 0.964 -8.805 32 1HB GLN 6 HB2 GLN 6 7.570 1.170 -5.901 33 2HB GLN 6 HB1 GLN 6 7.501 -0.356 -6.773 34 1HG GLN 6 HG2 GLN 6 9.078 1.696 -8.121 35 2HG GLN 6 HG1 GLN 6 9.697 1.244 -6.534 36 1HE2 GLN 6 HE21 GLN 6 8.081 -0.606 -9.090 37 2HE2 GLN 6 HE22 GLN 6 9.331 -1.787 -9.264 38 H LEU 7 HN LEU 7 5.009 2.387 -6.193 39 HA LEU 7 HA LEU 7 3.087 0.175 -6.208 40 1HB LEU 7 HB2 LEU 7 2.812 2.452 -4.324 41 2HB LEU 7 HB1 LEU 7 2.498 0.746 -4.073 42 HG LEU 7 HG LEU 7 5.308 1.790 -4.345 43 1HD1 LEU 7 HD11 LEU 7 4.013 1.350 -1.685 44 2HD1 LEU 7 HD12 LEU 7 3.878 2.912 -2.494 45 3HD1 LEU 7 HD13 LEU 7 5.467 2.263 -2.088 46 1HD2 LEU 7 HD21 LEU 7 5.958 -0.276 -3.704 47 2HD2 LEU 7 HD22 LEU 7 4.379 -0.740 -4.339 48 3HD2 LEU 7 HD23 LEU 7 4.594 -0.486 -2.607 49 H ALA 8 HN ALA 8 3.522 3.300 -7.462 50 HA ALA 8 HA ALA 8 1.062 4.487 -7.389 51 1HB ALA 8 HB1 ALA 8 2.388 4.588 -10.014 52 2HB ALA 8 HB2 ALA 8 3.372 5.063 -8.630 53 3HB ALA 8 HB3 ALA 8 1.854 5.897 -8.961 54 H VAL 9 HN VAL 9 2.112 1.848 -9.413 55 HA VAL 9 HA VAL 9 -0.016 1.747 -11.193 56 HB VAL 9 HB VAL 9 2.038 0.443 -11.506 57 1HG1 VAL 9 HG11 VAL 9 2.432 -1.603 -10.262 58 2HG1 VAL 9 HG12 VAL 9 0.980 -1.322 -9.300 59 3HG1 VAL 9 HG13 VAL 9 2.356 -0.226 -9.163 60 1HG2 VAL 9 HG21 VAL 9 0.999 -1.111 -12.763 61 2HG2 VAL 9 HG22 VAL 9 -0.460 -0.256 -12.262 62 3HG2 VAL 9 HG23 VAL 9 0.041 -1.718 -11.411 63 H CYS 10 HN CYS 10 0.197 0.828 -7.884 64 HA CYS 10 HA CYS 10 -2.178 -0.826 -7.917 65 1HB CYS 10 HB2 CYS 10 -0.080 -0.975 -6.345 66 2HB CYS 10 HB1 CYS 10 -0.933 0.254 -5.412 67 H ALA 11 HN ALA 11 -1.235 2.418 -6.971 68 HA ALA 11 HA ALA 11 -3.381 3.295 -5.536 69 1HB ALA 11 HB1 ALA 11 -2.550 5.372 -5.828 70 2HB ALA 11 HB2 ALA 11 -2.433 5.192 -7.579 71 3HB ALA 11 HB3 ALA 11 -1.196 4.491 -6.535 72 H SER 12 HN SER 12 -3.255 2.583 -8.913 73 HA SER 12 HA SER 12 -5.364 4.001 -9.947 74 1HB SER 12 HB2 SER 12 -4.514 1.171 -10.581 75 2HB SER 12 HB1 SER 12 -5.612 2.129 -11.575 76 HG SER 12 HG SER 12 -3.025 3.040 -10.885 77 H ALA 13 HN ALA 13 -5.446 1.224 -7.838 78 HA ALA 13 HA ALA 13 -8.332 1.511 -7.647 79 1HB ALA 13 HB1 ALA 13 -8.859 -0.600 -8.244 80 2HB ALA 13 HB2 ALA 13 -7.371 -1.270 -7.575 81 3HB ALA 13 HB3 ALA 13 -7.351 -0.479 -9.151 82 H ILE 14 HN ILE 14 -5.874 2.079 -5.934 83 HA ILE 14 HA ILE 14 -6.160 0.270 -3.709 84 HB ILE 14 HB ILE 14 -4.027 1.559 -4.422 85 1HG1 ILE 14 HG12 ILE 14 -3.744 1.919 -1.693 86 2HG1 ILE 14 HG11 ILE 14 -5.035 0.726 -1.809 87 1HG2 ILE 14 HG21 ILE 14 -5.285 3.646 -2.648 88 2HG2 ILE 14 HG22 ILE 14 -5.050 3.795 -4.389 89 3HG2 ILE 14 HG23 ILE 14 -3.654 3.680 -3.318 90 1HD1 ILE 14 HD11 ILE 14 -3.669 -0.862 -2.706 91 2HD1 ILE 14 HD12 ILE 14 -2.512 0.016 -1.705 92 3HD1 ILE 14 HD13 ILE 14 -2.587 0.321 -3.441 93 H LEU 15 HN LEU 15 -7.035 3.643 -4.383 94 HA LEU 15 HA LEU 15 -8.316 3.971 -1.824 95 1HB LEU 15 HB2 LEU 15 -8.520 5.757 -4.245 96 2HB LEU 15 HB1 LEU 15 -8.891 6.181 -2.585 97 HG LEU 15 HG LEU 15 -6.250 5.375 -2.444 98 1HD1 LEU 15 HD11 LEU 15 -6.506 7.127 -4.874 99 2HD1 LEU 15 HD12 LEU 15 -6.276 5.381 -4.965 100 3HD1 LEU 15 HD13 LEU 15 -5.048 6.393 -4.206 101 1HD2 LEU 15 HD21 LEU 15 -6.851 8.239 -2.954 102 2HD2 LEU 15 HD22 LEU 15 -5.891 7.492 -1.677 103 3HD2 LEU 15 HD23 LEU 15 -7.653 7.451 -1.594 104 H SER 16 HN SER 16 -9.619 4.371 -5.121 105 HA SER 16 HA SER 16 -12.289 3.830 -4.196 106 1HB SER 16 HB2 SER 16 -11.307 4.135 -7.042 107 2HB SER 16 HB1 SER 16 -12.973 4.268 -6.478 108 HG SER 16 HG SER 16 -10.893 6.087 -6.327 109 H GLY 17 HN GLY 17 -10.330 2.318 -6.774 110 1HA GLY 17 HA2 GLY 17 -9.914 -0.094 -6.667 111 2HA GLY 17 HA1 GLY 17 -11.529 -0.268 -5.999 112 H ALA 18 HN ALA 18 -10.291 1.519 -8.820 113 HA ALA 18 HA ALA 18 -12.498 0.903 -10.439 114 1HB ALA 18 HB1 ALA 18 -9.728 1.778 -11.229 115 2HB ALA 18 HB2 ALA 18 -11.107 2.826 -10.895 116 3HB ALA 18 HB3 ALA 18 -11.130 1.761 -12.300 117 H LYS 19 HN LYS 19 -9.326 -0.556 -10.171 118 HA LYS 19 HA LYS 19 -10.163 -3.134 -10.854 119 1HB LYS 19 HB2 LYS 19 -9.075 -3.343 -13.094 120 2HB LYS 19 HB1 LYS 19 -10.525 -2.348 -13.089 121 1HG LYS 19 HG2 LYS 19 -8.105 -0.801 -12.639 122 2HG LYS 19 HG1 LYS 19 -8.088 -1.673 -14.173 123 1HD LYS 19 HD2 LYS 19 -10.250 0.201 -13.212 124 2HD LYS 19 HD1 LYS 19 -9.043 0.552 -14.450 125 1HE LYS 19 HE2 LYS 19 -9.995 -1.554 -15.621 126 2HE LYS 19 HE1 LYS 19 -11.382 -1.314 -14.560 127 1HZ LYS 19 HZ1 LYS 19 -12.032 0.513 -15.676 128 2HZ LYS 19 HZ2 LYS 19 -11.155 -0.178 -16.946 129 3HZ LYS 19 HZ3 LYS 19 -10.454 1.035 -15.998 130 HA PRO 20 HA PRO 20 -6.063 -2.952 -8.826 131 1HB PRO 20 HB2 PRO 20 -6.362 -5.333 -7.531 132 2HB PRO 20 HB1 PRO 20 -6.983 -3.802 -6.905 133 1HG PRO 20 HG2 PRO 20 -8.424 -5.968 -8.384 134 2HG PRO 20 HG1 PRO 20 -8.950 -5.037 -6.969 135 1HD PRO 20 HD2 PRO 20 -9.813 -4.475 -9.463 136 2HD PRO 20 HD1 PRO 20 -9.564 -3.211 -8.242 137 H SER 21 HN SER 21 -4.608 -5.177 -8.452 138 HA SER 21 HA SER 21 -4.657 -7.062 -10.547 139 1HB SER 21 HB2 SER 21 -3.918 -4.774 -11.635 140 2HB SER 21 HB1 SER 21 -2.358 -5.183 -10.923 141 HG SER 21 HG SER 21 -3.851 -6.632 -12.838 142 H GLY 22 HN GLY 22 -3.152 -8.687 -10.249 143 1HA GLY 22 HA2 GLY 22 -2.115 -9.047 -7.682 144 2HA GLY 22 HA1 GLY 22 -1.649 -9.981 -9.095 145 H GLU 23 HN GLU 23 -0.672 -7.556 -10.496 146 HA GLU 23 HA GLU 23 2.002 -7.702 -10.001 147 1HB GLU 23 HB2 GLU 23 0.609 -6.490 -11.857 148 2HB GLU 23 HB1 GLU 23 0.789 -5.084 -10.807 149 1HG GLU 23 HG2 GLU 23 3.331 -6.076 -10.932 150 2HG GLU 23 HG1 GLU 23 2.708 -6.388 -12.549 151 H CYS 24 HN CYS 24 -0.393 -5.779 -8.330 152 HA CYS 24 HA CYS 24 1.187 -3.932 -7.036 153 1HB CYS 24 HB2 CYS 24 -1.301 -3.987 -6.988 154 2HB CYS 24 HB1 CYS 24 -1.215 -5.336 -5.860 155 H CYS 25 HN CYS 25 0.937 -7.325 -6.500 156 HA CYS 25 HA CYS 25 2.032 -7.316 -3.851 157 1HB CYS 25 HB2 CYS 25 1.191 -9.345 -5.824 158 2HB CYS 25 HB1 CYS 25 2.495 -9.843 -4.753 159 H GLY 26 HN GLY 26 3.309 -8.151 -7.067 160 1HA GLY 26 HA2 GLY 26 5.936 -8.704 -6.231 161 2HA GLY 26 HA1 GLY 26 5.457 -8.262 -7.862 162 H ASN 27 HN ASN 27 4.358 -5.674 -7.059 163 HA ASN 27 HA ASN 27 6.685 -4.140 -7.316 164 1HB ASN 27 HB2 ASN 27 3.868 -3.338 -6.616 165 2HB ASN 27 HB1 ASN 27 5.160 -2.194 -6.964 166 1HD2 ASN 27 HD21 ASN 27 6.291 -2.593 -9.089 167 2HD2 ASN 27 HD22 ASN 27 5.285 -2.989 -10.436 168 H LEU 28 HN LEU 28 4.334 -4.099 -4.698 169 HA LEU 28 HA LEU 28 5.787 -2.647 -2.880 170 1HB LEU 28 HB2 LEU 28 4.267 -3.282 -1.261 171 2HB LEU 28 HB1 LEU 28 3.364 -3.528 -2.744 172 HG LEU 28 HG LEU 28 4.362 -5.979 -2.491 173 1HD1 LEU 28 HD11 LEU 28 4.007 -6.412 0.087 174 2HD1 LEU 28 HD12 LEU 28 4.575 -4.747 0.200 175 3HD1 LEU 28 HD13 LEU 28 5.585 -5.973 -0.568 176 1HD2 LEU 28 HD21 LEU 28 2.043 -5.658 -2.715 177 2HD2 LEU 28 HD22 LEU 28 1.935 -4.789 -1.184 178 3HD2 LEU 28 HD23 LEU 28 2.245 -6.525 -1.192 179 H ARG 29 HN ARG 29 6.139 -5.953 -3.802 180 HA ARG 29 HA ARG 29 7.561 -6.986 -1.681 181 1HB ARG 29 HB2 ARG 29 6.918 -7.784 -4.310 182 2HB ARG 29 HB1 ARG 29 8.658 -7.973 -4.141 183 1HG ARG 29 HG2 ARG 29 8.393 -9.823 -2.962 184 2HG ARG 29 HG1 ARG 29 7.357 -8.983 -1.810 185 1HD ARG 29 HD2 ARG 29 5.730 -9.324 -4.014 186 2HD ARG 29 HD1 ARG 29 6.658 -10.823 -3.945 187 HE ARG 29 HE ARG 29 5.534 -9.988 -1.424 188 1HH1 ARG 29 HH11 ARG 29 5.012 -11.825 -4.348 189 2HH1 ARG 29 HH12 ARG 29 3.833 -12.870 -3.629 190 1HH2 ARG 29 HH21 ARG 29 3.985 -11.368 -0.479 191 2HH2 ARG 29 HH22 ARG 29 3.248 -12.609 -1.435 192 H ALA 30 HN ALA 30 8.679 -5.149 -4.444 193 HA ALA 30 HA ALA 30 11.410 -5.317 -4.040 194 1HB ALA 30 HB1 ALA 30 11.636 -3.558 -5.527 195 2HB ALA 30 HB2 ALA 30 10.181 -2.749 -4.946 196 3HB ALA 30 HB3 ALA 30 10.047 -4.195 -5.947 197 H GLN 31 HN GLN 31 8.989 -3.652 -2.263 198 HA GLN 31 HA GLN 31 10.800 -1.846 -0.925 199 1HB GLN 31 HB2 GLN 31 8.069 -2.444 0.130 200 2HB GLN 31 HB1 GLN 31 8.943 -0.920 0.094 201 1HG GLN 31 HG2 GLN 31 8.529 -1.626 -2.582 202 2HG GLN 31 HG1 GLN 31 7.016 -1.962 -1.744 203 1HE2 GLN 31 HE21 GLN 31 9.294 0.471 -2.692 204 2HE2 GLN 31 HE22 GLN 31 8.291 1.840 -2.330 205 H GLN 32 HN GLN 32 8.572 -4.257 0.445 206 HA GLN 32 HA GLN 32 8.721 -5.539 2.316 207 1HB GLN 32 HB2 GLN 32 10.475 -6.393 0.478 208 2HB GLN 32 HB1 GLN 32 11.562 -6.117 1.834 209 1HG GLN 32 HG2 GLN 32 10.942 -8.042 2.726 210 2HG GLN 32 HG1 GLN 32 9.282 -7.455 2.820 211 1HE2 GLN 32 HE21 GLN 32 7.966 -7.707 0.868 212 2HE2 GLN 32 HE22 GLN 32 8.198 -9.115 -0.103 213 H GLY 33 HN GLY 33 9.719 -2.671 2.461 214 1HA GLY 33 HA2 GLY 33 10.370 -2.672 5.206 215 2HA GLY 33 HA1 GLY 33 11.836 -2.441 4.264 216 H CYS 34 HN CYS 34 8.782 -1.257 3.097 217 HA CYS 34 HA CYS 34 9.460 1.420 3.900 218 1HB CYS 34 HB2 CYS 34 10.128 0.719 1.497 219 2HB CYS 34 HB1 CYS 34 8.417 0.931 1.192 220 H PHE 35 HN PHE 35 7.029 -0.766 2.703 221 HA PHE 35 HA PHE 35 4.826 0.915 2.742 222 1HB PHE 35 HB2 PHE 35 3.549 -1.266 3.336 223 2HB PHE 35 HB1 PHE 35 4.333 -1.122 1.772 224 HD1 PHE 35 HD1 PHE 35 4.513 -2.649 5.110 225 HD2 PHE 35 HD2 PHE 35 6.121 -2.613 1.164 226 HE1 PHE 35 HE1 PHE 35 5.657 -4.777 5.557 227 HE2 PHE 35 HE2 PHE 35 7.259 -4.734 1.613 228 HZ PHE 35 HZ PHE 35 7.037 -5.821 3.808 229 H CYS 36 HN CYS 36 5.948 -1.218 5.269 230 HA CYS 36 HA CYS 36 4.082 -0.623 7.228 231 1HB CYS 36 HB2 CYS 36 6.082 -2.364 7.119 232 2HB CYS 36 HB1 CYS 36 6.902 -1.122 8.058 233 H GLN 37 HN GLN 37 7.267 0.864 6.705 234 HA GLN 37 HA GLN 37 7.018 2.705 8.811 235 1HB GLN 37 HB2 GLN 37 9.010 3.729 7.992 236 2HB GLN 37 HB1 GLN 37 9.176 1.994 7.764 237 1HG GLN 37 HG2 GLN 37 8.758 2.181 5.434 238 2HG GLN 37 HG1 GLN 37 8.292 3.873 5.591 239 1HE2 GLN 37 HE21 GLN 37 10.329 2.752 3.891 240 2HE2 GLN 37 HE22 GLN 37 11.825 3.477 4.356 241 H TYR 38 HN TYR 38 5.904 2.702 5.554 242 HA TYR 38 HA TYR 38 5.585 5.449 5.109 243 1HB TYR 38 HB2 TYR 38 4.730 2.985 3.867 244 2HB TYR 38 HB1 TYR 38 3.421 4.162 3.852 245 HD1 TYR 38 HD1 TYR 38 6.078 2.957 2.009 246 HD2 TYR 38 HD2 TYR 38 4.318 6.645 3.194 247 HE1 TYR 38 HE1 TYR 38 7.108 4.064 0.070 248 HE2 TYR 38 HE2 TYR 38 5.343 7.762 1.258 249 HH TYR 38 HH TYR 38 6.821 6.022 -1.300 250 H ALA 39 HN ALA 39 3.760 3.191 7.014 251 HA ALA 39 HA ALA 39 1.319 4.464 7.220 252 1HB ALA 39 HB1 ALA 39 0.849 3.010 8.907 253 2HB ALA 39 HB2 ALA 39 2.434 3.198 9.656 254 3HB ALA 39 HB3 ALA 39 2.255 2.203 8.212 255 H LYS 40 HN LYS 40 4.361 5.456 8.445 256 HA LYS 40 HA LYS 40 3.200 7.223 10.442 257 1HB LYS 40 HB2 LYS 40 5.453 5.870 10.581 258 2HB LYS 40 HB1 LYS 40 6.099 7.256 9.715 259 1HG LYS 40 HG2 LYS 40 6.309 8.331 11.634 260 2HG LYS 40 HG1 LYS 40 4.558 8.274 11.843 261 1HD LYS 40 HD2 LYS 40 6.501 6.132 12.708 262 2HD LYS 40 HD1 LYS 40 5.745 7.321 13.770 263 1HE LYS 40 HE2 LYS 40 3.951 5.688 12.069 264 2HE LYS 40 HE1 LYS 40 4.757 4.867 13.405 265 1HZ LYS 40 HZ1 LYS 40 2.700 6.931 13.461 266 2HZ LYS 40 HZ2 LYS 40 3.887 7.015 14.664 267 3HZ LYS 40 HZ3 LYS 40 2.947 5.618 14.501 268 H ASP 41 HN ASP 41 4.345 7.316 7.202 269 HA ASP 41 HA ASP 41 4.966 10.069 7.025 270 1HB ASP 41 HB2 ASP 41 5.782 8.501 5.365 271 2HB ASP 41 HB1 ASP 41 4.130 8.086 4.899 272 HA PRO 42 HA PRO 42 0.630 11.337 7.010 273 1HB PRO 42 HB2 PRO 42 0.973 13.783 7.957 274 2HB PRO 42 HB1 PRO 42 1.274 12.384 9.000 275 1HG PRO 42 HG2 PRO 42 3.229 14.110 7.533 276 2HG PRO 42 HG1 PRO 42 3.324 13.471 9.184 277 1HD PRO 42 HD2 PRO 42 4.555 12.350 6.955 278 2HD PRO 42 HD1 PRO 42 4.220 11.496 8.475 279 H THR 43 HN THR 43 0.043 11.506 4.878 280 HA THR 43 HA THR 43 0.075 14.053 3.661 281 HB THR 43 HB THR 43 1.364 12.516 1.652 282 HG1 THR 43 HG1 THR 43 2.267 11.367 3.454 283 1HG2 THR 43 HG21 THR 43 3.147 14.265 1.894 284 2HG2 THR 43 HG22 THR 43 2.189 14.940 3.212 285 3HG2 THR 43 HG23 THR 43 1.519 14.866 1.582 286 H TYR 44 HN TYR 44 -0.161 10.570 3.043 287 HA TYR 44 HA TYR 44 -2.091 10.883 0.951 288 1HB TYR 44 HB2 TYR 44 -1.181 8.466 2.520 289 2HB TYR 44 HB1 TYR 44 -2.329 8.390 1.187 290 HD1 TYR 44 HD1 TYR 44 -1.564 8.189 -1.011 291 HD2 TYR 44 HD2 TYR 44 1.138 9.454 2.022 292 HE1 TYR 44 HE1 TYR 44 0.298 8.024 -2.609 293 HE2 TYR 44 HE2 TYR 44 3.007 9.293 0.432 294 HH TYR 44 HH TYR 44 3.584 8.210 -1.629 295 H GLY 45 HN GLY 45 -2.355 9.353 4.172 296 1HA GLY 45 HA2 GLY 45 -4.141 9.151 5.601 297 2HA GLY 45 HA1 GLY 45 -4.653 10.715 4.984 298 H GLN 46 HN GLN 46 -4.306 7.899 2.946 299 HA GLN 46 HA GLN 46 -7.042 7.122 3.062 300 1HB GLN 46 HB2 GLN 46 -6.432 9.306 1.400 301 2HB GLN 46 HB1 GLN 46 -6.646 7.931 0.325 302 1HG GLN 46 HG2 GLN 46 -8.855 7.678 0.857 303 2HG GLN 46 HG1 GLN 46 -8.666 8.399 2.455 304 1HE2 GLN 46 HE21 GLN 46 -10.470 8.905 0.073 305 2HE2 GLN 46 HE22 GLN 46 -10.365 10.620 -0.173 306 H TYR 47 HN TYR 47 -4.032 7.117 1.215 307 HA TYR 47 HA TYR 47 -4.462 4.813 -0.297 308 1HB TYR 47 HB2 TYR 47 -2.546 6.581 -0.362 309 2HB TYR 47 HB1 TYR 47 -1.770 5.469 0.757 310 HD1 TYR 47 HD1 TYR 47 -2.005 2.883 -0.093 311 HD2 TYR 47 HD2 TYR 47 -1.906 6.351 -2.557 312 HE1 TYR 47 HE1 TYR 47 -1.215 1.515 -1.977 313 HE2 TYR 47 HE2 TYR 47 -1.118 4.992 -4.447 314 HH TYR 47 HH TYR 47 0.199 2.067 -4.188 315 H ILE 48 HN ILE 48 -2.732 5.163 2.785 316 HA ILE 48 HA ILE 48 -2.445 2.349 3.129 317 HB ILE 48 HB ILE 48 -2.110 4.512 5.205 318 1HG1 ILE 48 HG12 ILE 48 -0.170 3.345 3.203 319 2HG1 ILE 48 HG11 ILE 48 -0.668 5.027 3.352 320 1HG2 ILE 48 HG21 ILE 48 -2.166 1.785 5.542 321 2HG2 ILE 48 HG22 ILE 48 -1.393 2.942 6.626 322 3HG2 ILE 48 HG23 ILE 48 -0.443 2.127 5.383 323 1HD1 ILE 48 HD11 ILE 48 0.450 5.125 5.545 324 2HD1 ILE 48 HD12 ILE 48 1.554 4.749 4.222 325 3HD1 ILE 48 HD13 ILE 48 1.007 3.469 5.306 326 H ARG 49 HN ARG 49 -4.497 4.822 4.668 327 HA ARG 49 HA ARG 49 -5.896 2.836 6.209 328 1HB ARG 49 HB2 ARG 49 -6.768 5.691 5.834 329 2HB ARG 49 HB1 ARG 49 -7.104 4.622 7.188 330 1HG ARG 49 HG2 ARG 49 -4.743 4.688 7.824 331 2HG ARG 49 HG1 ARG 49 -4.414 5.771 6.471 332 1HD ARG 49 HD2 ARG 49 -6.291 6.347 8.762 333 2HD ARG 49 HD1 ARG 49 -4.654 6.981 8.600 334 HE ARG 49 HE ARG 49 -6.343 7.573 6.354 335 1HH1 ARG 49 HH11 ARG 49 -5.357 8.611 9.537 336 2HH1 ARG 49 HH12 ARG 49 -5.776 10.269 9.262 337 1HH2 ARG 49 HH21 ARG 49 -6.896 9.751 5.991 338 2HH2 ARG 49 HH22 ARG 49 -6.651 10.916 7.250 339 H SER 50 HN SER 50 -5.992 2.603 3.304 340 HA SER 50 HA SER 50 -8.677 3.247 2.516 341 1HB SER 50 HB2 SER 50 -6.423 2.956 1.106 342 2HB SER 50 HB1 SER 50 -7.077 1.328 0.969 343 HG SER 50 HG SER 50 -8.608 3.631 0.406 344 HA PRO 51 HA PRO 51 -10.557 -0.507 3.887 345 1HB PRO 51 HB2 PRO 51 -12.601 -0.757 2.139 346 2HB PRO 51 HB1 PRO 51 -12.573 0.493 3.388 347 1HG PRO 51 HG2 PRO 51 -11.897 0.703 0.480 348 2HG PRO 51 HG1 PRO 51 -12.825 1.820 1.498 349 1HD PRO 51 HD2 PRO 51 -10.210 2.217 0.848 350 2HD PRO 51 HD1 PRO 51 -10.935 2.805 2.357 351 H HIS 52 HN HIS 52 -10.093 -0.280 0.368 352 HA HIS 52 HA HIS 52 -10.032 -3.138 0.052 353 1HB HIS 52 HB2 HIS 52 -9.118 -1.184 -2.037 354 2HB HIS 52 HB1 HIS 52 -9.881 -2.755 -2.256 355 HD1 HIS 52 HD1 HIS 52 -12.492 -2.741 -1.178 356 HD2 HIS 52 HD2 HIS 52 -10.840 0.838 -2.494 357 HE1 HIS 52 HE1 HIS 52 -14.441 -1.198 -1.555 358 HE2 HIS 52 HE2 HIS 52 -13.413 0.986 -2.274 359 H ALA 53 HN ALA 53 -7.717 -0.620 0.545 360 HA ALA 53 HA ALA 53 -5.427 -1.776 -0.490 361 1HB ALA 53 HB1 ALA 53 -4.189 -0.362 1.124 362 2HB ALA 53 HB2 ALA 53 -5.730 0.042 1.882 363 3HB ALA 53 HB3 ALA 53 -5.418 0.515 0.212 364 H ARG 54 HN ARG 54 -6.669 -1.942 2.797 365 HA ARG 54 HA ARG 54 -4.745 -3.566 3.913 366 1HB ARG 54 HB2 ARG 54 -7.120 -2.449 4.758 367 2HB ARG 54 HB1 ARG 54 -7.432 -4.175 4.876 368 1HG ARG 54 HG2 ARG 54 -5.650 -4.494 6.388 369 2HG ARG 54 HG1 ARG 54 -4.999 -2.885 6.070 370 1HD ARG 54 HD2 ARG 54 -6.263 -3.181 8.243 371 2HD ARG 54 HD1 ARG 54 -6.760 -1.831 7.226 372 HE ARG 54 HE ARG 54 -8.492 -3.656 6.434 373 1HH1 ARG 54 HH11 ARG 54 -7.438 -2.897 9.679 374 2HH1 ARG 54 HH12 ARG 54 -8.927 -3.392 10.407 375 1HH2 ARG 54 HH21 ARG 54 -10.448 -4.301 7.397 376 2HH2 ARG 54 HH22 ARG 54 -10.635 -4.187 9.115 377 H ASP 55 HN ASP 55 -7.445 -4.401 1.899 378 HA ASP 55 HA ASP 55 -7.356 -7.193 2.359 379 1HB ASP 55 HB2 ASP 55 -9.249 -5.729 1.326 380 2HB ASP 55 HB1 ASP 55 -8.381 -6.046 -0.172 381 H THR 56 HN THR 56 -5.975 -5.068 -0.038 382 HA THR 56 HA THR 56 -4.895 -6.977 -1.738 383 HB THR 56 HB THR 56 -3.492 -4.423 -1.228 384 HG1 THR 56 HG1 THR 56 -5.922 -4.610 -2.653 385 1HG2 THR 56 HG21 THR 56 -3.379 -4.320 -3.670 386 2HG2 THR 56 HG22 THR 56 -4.228 -5.864 -3.753 387 3HG2 THR 56 HG23 THR 56 -2.626 -5.776 -3.021 388 H LEU 57 HN LEU 57 -3.433 -5.293 1.019 389 HA LEU 57 HA LEU 57 -0.942 -6.502 0.894 390 1HB LEU 57 HB2 LEU 57 -2.423 -4.897 2.775 391 2HB LEU 57 HB1 LEU 57 -1.375 -6.049 3.584 392 HG LEU 57 HG LEU 57 0.112 -4.812 1.508 393 1HD1 LEU 57 HD11 LEU 57 -0.034 -2.481 2.801 394 2HD1 LEU 57 HD12 LEU 57 -1.712 -3.001 2.956 395 3HD1 LEU 57 HD13 LEU 57 -0.982 -2.842 1.359 396 1HD2 LEU 57 HD21 LEU 57 0.608 -5.752 3.954 397 2HD2 LEU 57 HD22 LEU 57 0.528 -4.031 4.328 398 3HD2 LEU 57 HD23 LEU 57 1.681 -4.621 3.131 399 H THR 58 HN THR 58 -3.765 -7.367 2.798 400 HA THR 58 HA THR 58 -2.690 -9.621 4.034 401 HB THR 58 HB THR 58 -5.591 -9.216 3.301 402 HG1 THR 58 HG1 THR 58 -5.069 -7.412 4.396 403 1HG2 THR 58 HG21 THR 58 -5.401 -11.360 4.211 404 2HG2 THR 58 HG22 THR 58 -5.912 -10.336 5.553 405 3HG2 THR 58 HG23 THR 58 -4.226 -10.838 5.418 406 H SER 59 HN SER 59 -4.500 -9.278 1.009 407 HA SER 59 HA SER 59 -4.793 -11.915 0.305 408 1HB SER 59 HB2 SER 59 -5.514 -9.709 -0.880 409 2HB SER 59 HB1 SER 59 -3.991 -9.920 -1.729 410 HG SER 59 HG SER 59 -4.705 -11.843 -2.551 411 H CYS 60 HN CYS 60 -2.024 -9.858 0.219 412 HA CYS 60 HA CYS 60 -0.361 -11.665 -1.263 413 1HB CYS 60 HB2 CYS 60 -0.320 -8.979 -0.763 414 2HB CYS 60 HB1 CYS 60 0.896 -9.561 0.360 415 H GLY 61 HN GLY 61 -0.952 -10.817 2.109 416 1HA GLY 61 HA2 GLY 61 -0.405 -11.927 4.044 417 2HA GLY 61 HA1 GLY 61 0.069 -13.295 3.047 418 H LEU 62 HN LEU 62 1.267 -9.977 3.617 419 HA LEU 62 HA LEU 62 3.944 -11.155 3.962 420 1HB LEU 62 HB2 LEU 62 4.489 -8.550 3.389 421 2HB LEU 62 HB1 LEU 62 4.546 -9.869 2.242 422 HG LEU 62 HG LEU 62 1.886 -9.016 2.155 423 1HD1 LEU 62 HD11 LEU 62 2.578 -6.520 1.493 424 2HD1 LEU 62 HD12 LEU 62 3.703 -6.787 2.824 425 3HD1 LEU 62 HD13 LEU 62 1.967 -6.960 3.087 426 1HD2 LEU 62 HD21 LEU 62 2.551 -8.133 -0.061 427 2HD2 LEU 62 HD22 LEU 62 3.148 -9.762 0.251 428 3HD2 LEU 62 HD23 LEU 62 4.240 -8.384 0.383 429 H ALA 63 HN ALA 63 2.642 -7.918 4.656 430 HA ALA 63 HA ALA 63 2.929 -8.370 7.492 431 1HB ALA 63 HB1 ALA 63 5.143 -7.499 6.291 432 2HB ALA 63 HB2 ALA 63 4.690 -7.013 7.925 433 3HB ALA 63 HB3 ALA 63 4.344 -5.950 6.561 434 H VAL 64 HN VAL 64 2.750 -5.863 8.467 435 HA VAL 64 HA VAL 64 0.602 -4.470 7.138 436 HB VAL 64 HB VAL 64 0.314 -5.547 9.901 437 1HG1 VAL 64 HG11 VAL 64 -1.830 -4.518 10.004 438 2HG1 VAL 64 HG12 VAL 64 -1.737 -4.033 8.311 439 3HG1 VAL 64 HG13 VAL 64 -0.680 -3.278 9.504 440 1HG2 VAL 64 HG21 VAL 64 -0.798 -6.396 7.276 441 2HG2 VAL 64 HG22 VAL 64 -1.747 -6.640 8.741 442 3HG2 VAL 64 HG23 VAL 64 -0.152 -7.378 8.590 443 HA PRO 65 HA PRO 65 2.843 -0.962 8.679 444 1HB PRO 65 HB2 PRO 65 0.729 0.810 8.875 445 2HB PRO 65 HB1 PRO 65 1.615 0.464 7.388 446 1HG PRO 65 HG2 PRO 65 -0.981 -0.659 8.355 447 2HG PRO 65 HG1 PRO 65 -0.529 -0.130 6.723 448 1HD PRO 65 HD2 PRO 65 -0.584 -2.722 7.352 449 2HD PRO 65 HD1 PRO 65 0.690 -2.069 6.301 450 H HIS 66 HN HIS 66 1.845 0.997 10.363 451 HA HIS 66 HA HIS 66 1.587 1.497 12.567 452 1HB HIS 66 HB2 HIS 66 -0.114 -0.997 12.447 453 2HB HIS 66 HB1 HIS 66 0.003 0.027 13.875 454 HD1 HIS 66 HD1 HIS 66 -1.756 -0.317 10.688 455 HD2 HIS 66 HD2 HIS 66 -1.045 2.702 13.448 456 HE1 HIS 66 HE1 HIS 66 -3.428 1.485 10.166 457 HE2 HIS 66 HE2 HIS 66 -2.920 3.338 11.789 458 H CYS 67 HN CYS 67 3.896 0.024 11.769 459 HA CYS 67 HA CYS 67 4.387 -1.728 14.075 460 1HB CYS 67 HB2 CYS 67 6.435 -2.415 12.781 461 2HB CYS 67 HB1 CYS 67 4.905 -2.817 12.009 Start of MODEL 7 1 1H ALA 1 HT1 ALA 1 16.594 3.989 -3.234 2 2H ALA 1 HT2 ALA 1 15.886 2.431 -3.366 3 3H ALA 1 HT3 ALA 1 17.422 2.619 -2.623 4 HA ALA 1 HA ALA 1 15.836 2.293 -0.956 5 1HB ALA 1 HB1 ALA 1 15.925 4.787 -0.001 6 2HB ALA 1 HB2 ALA 1 17.127 4.932 -1.284 7 3HB ALA 1 HB3 ALA 1 17.327 3.717 -0.021 8 H CYS 2 HN CYS 2 13.836 1.855 -2.186 9 HA CYS 2 HA CYS 2 11.612 2.167 -2.536 10 1HB CYS 2 HB2 CYS 2 11.752 4.609 -0.780 11 2HB CYS 2 HB1 CYS 2 10.405 3.499 -1.006 12 H GLN 3 HN GLN 3 11.313 2.712 -4.608 13 HA GLN 3 HA GLN 3 12.212 5.075 -5.833 14 1HB GLN 3 HB2 GLN 3 9.855 3.464 -6.792 15 2HB GLN 3 HB1 GLN 3 11.009 4.381 -7.751 16 1HG GLN 3 HG2 GLN 3 12.669 2.626 -6.565 17 2HG GLN 3 HG1 GLN 3 11.196 1.661 -6.648 18 1HE2 GLN 3 HE21 GLN 3 10.595 0.801 -8.546 19 2HE2 GLN 3 HE22 GLN 3 11.424 1.044 -10.042 20 H ALA 4 HN ALA 4 9.444 4.440 -3.887 21 HA ALA 4 HA ALA 4 7.845 5.828 -3.044 22 1HB ALA 4 HB1 ALA 4 8.998 8.098 -4.636 23 2HB ALA 4 HB2 ALA 4 9.744 7.520 -3.147 24 3HB ALA 4 HB3 ALA 4 8.100 8.159 -3.119 25 H SER 5 HN SER 5 8.001 4.740 -6.036 26 HA SER 5 HA SER 5 5.376 5.834 -6.735 27 1HB SER 5 HB2 SER 5 7.556 6.757 -8.036 28 2HB SER 5 HB1 SER 5 7.197 5.337 -9.019 29 HG SER 5 HG SER 5 5.159 6.152 -9.415 30 H GLN 6 HN GLN 6 6.813 3.201 -5.809 31 HA GLN 6 HA GLN 6 6.132 1.367 -7.878 32 1HB GLN 6 HB2 GLN 6 7.059 0.963 -5.039 33 2HB GLN 6 HB1 GLN 6 6.768 -0.355 -6.166 34 1HG GLN 6 HG2 GLN 6 8.426 1.116 -7.654 35 2HG GLN 6 HG1 GLN 6 8.981 1.593 -6.051 36 1HE2 GLN 6 HE21 GLN 6 8.288 -1.225 -8.060 37 2HE2 GLN 6 HE22 GLN 6 9.486 -2.249 -7.351 38 H LEU 7 HN LEU 7 4.539 2.799 -5.212 39 HA LEU 7 HA LEU 7 2.486 0.723 -5.118 40 1HB LEU 7 HB2 LEU 7 2.423 3.204 -3.452 41 2HB LEU 7 HB1 LEU 7 1.807 1.604 -3.082 42 HG LEU 7 HG LEU 7 4.762 2.081 -3.320 43 1HD1 LEU 7 HD11 LEU 7 3.828 3.738 -1.733 44 2HD1 LEU 7 HD12 LEU 7 4.895 2.558 -0.971 45 3HD1 LEU 7 HD13 LEU 7 3.146 2.407 -0.799 46 1HD2 LEU 7 HD21 LEU 7 2.963 -0.057 -2.403 47 2HD2 LEU 7 HD22 LEU 7 4.359 0.249 -1.371 48 3HD2 LEU 7 HD23 LEU 7 4.593 -0.149 -3.073 49 H ALA 8 HN ALA 8 3.075 3.777 -6.541 50 HA ALA 8 HA ALA 8 0.653 5.024 -6.650 51 1HB ALA 8 HB1 ALA 8 1.357 6.033 -8.726 52 2HB ALA 8 HB2 ALA 8 2.555 4.761 -8.964 53 3HB ALA 8 HB3 ALA 8 2.734 5.902 -7.632 54 H VAL 9 HN VAL 9 1.793 2.596 -8.932 55 HA VAL 9 HA VAL 9 -0.440 2.399 -10.530 56 HB VAL 9 HB VAL 9 1.681 1.304 -11.072 57 1HG1 VAL 9 HG11 VAL 9 1.075 -0.999 -9.299 58 2HG1 VAL 9 HG12 VAL 9 1.800 0.436 -8.574 59 3HG1 VAL 9 HG13 VAL 9 2.625 -0.399 -9.890 60 1HG2 VAL 9 HG21 VAL 9 0.233 -1.127 -11.226 61 2HG2 VAL 9 HG22 VAL 9 0.473 0.086 -12.482 62 3HG2 VAL 9 HG23 VAL 9 -0.920 0.194 -11.407 63 H CYS 10 HN CYS 10 0.053 1.235 -7.327 64 HA CYS 10 HA CYS 10 -2.091 -0.676 -7.324 65 1HB CYS 10 HB2 CYS 10 0.020 -0.471 -5.771 66 2HB CYS 10 HB1 CYS 10 -1.021 0.593 -4.832 67 H ALA 11 HN ALA 11 -1.686 2.693 -6.639 68 HA ALA 11 HA ALA 11 -3.746 3.413 -5.042 69 1HB ALA 11 HB1 ALA 11 -3.378 5.005 -7.530 70 2HB ALA 11 HB2 ALA 11 -2.024 4.837 -6.412 71 3HB ALA 11 HB3 ALA 11 -3.541 5.547 -5.860 72 H SER 12 HN SER 12 -3.969 2.276 -8.304 73 HA SER 12 HA SER 12 -6.480 3.069 -9.078 74 1HB SER 12 HB2 SER 12 -4.670 1.555 -10.257 75 2HB SER 12 HB1 SER 12 -5.660 0.244 -9.617 76 HG SER 12 HG SER 12 -7.462 1.259 -10.678 77 H ALA 13 HN ALA 13 -5.591 0.630 -6.748 78 HA ALA 13 HA ALA 13 -8.341 -0.249 -6.468 79 1HB ALA 13 HB1 ALA 13 -5.709 -1.341 -5.697 80 2HB ALA 13 HB2 ALA 13 -7.130 -2.157 -6.348 81 3HB ALA 13 HB3 ALA 13 -7.069 -1.720 -4.641 82 H ILE 14 HN ILE 14 -5.915 1.631 -4.817 83 HA ILE 14 HA ILE 14 -7.293 1.718 -2.303 84 HB ILE 14 HB ILE 14 -5.020 3.371 -3.410 85 1HG1 ILE 14 HG12 ILE 14 -3.924 2.102 -1.369 86 2HG1 ILE 14 HG11 ILE 14 -5.253 0.976 -1.633 87 1HG2 ILE 14 HG21 ILE 14 -4.904 3.790 -0.741 88 2HG2 ILE 14 HG22 ILE 14 -6.649 3.747 -0.992 89 3HG2 ILE 14 HG23 ILE 14 -5.657 4.899 -1.886 90 1HD1 ILE 14 HD11 ILE 14 -2.816 0.929 -2.893 91 2HD1 ILE 14 HD12 ILE 14 -3.874 1.672 -4.092 92 3HD1 ILE 14 HD13 ILE 14 -4.274 0.091 -3.422 93 H LEU 15 HN LEU 15 -6.502 4.367 -4.558 94 HA LEU 15 HA LEU 15 -8.489 6.091 -3.509 95 1HB LEU 15 HB2 LEU 15 -6.870 6.170 -6.047 96 2HB LEU 15 HB1 LEU 15 -8.002 7.434 -5.605 97 HG LEU 15 HG LEU 15 -5.691 6.621 -3.851 98 1HD1 LEU 15 HD11 LEU 15 -5.819 8.886 -5.836 99 2HD1 LEU 15 HD12 LEU 15 -4.855 7.419 -6.012 100 3HD1 LEU 15 HD13 LEU 15 -4.502 8.555 -4.710 101 1HD2 LEU 15 HD21 LEU 15 -7.492 9.038 -3.898 102 2HD2 LEU 15 HD22 LEU 15 -6.093 8.834 -2.845 103 3HD2 LEU 15 HD23 LEU 15 -7.480 7.757 -2.686 104 H SER 16 HN SER 16 -8.337 5.105 -6.917 105 HA SER 16 HA SER 16 -10.991 5.558 -7.511 106 1HB SER 16 HB2 SER 16 -9.268 5.148 -9.218 107 2HB SER 16 HB1 SER 16 -9.188 3.455 -8.733 108 HG SER 16 HG SER 16 -11.419 3.298 -9.332 109 H GLY 17 HN GLY 17 -9.552 2.355 -6.850 110 1HA GLY 17 HA2 GLY 17 -10.532 0.754 -5.388 111 2HA GLY 17 HA1 GLY 17 -12.077 1.569 -5.577 112 H ALA 18 HN ALA 18 -10.040 0.824 -8.309 113 HA ALA 18 HA ALA 18 -12.060 -0.472 -9.736 114 1HB ALA 18 HB1 ALA 18 -9.160 -0.074 -10.073 115 2HB ALA 18 HB2 ALA 18 -10.486 0.231 -11.195 116 3HB ALA 18 HB3 ALA 18 -9.877 -1.409 -10.974 117 H LYS 19 HN LYS 19 -9.067 -2.114 -8.925 118 HA LYS 19 HA LYS 19 -10.179 -4.161 -7.356 119 1HB LYS 19 HB2 LYS 19 -9.795 -5.984 -9.193 120 2HB LYS 19 HB1 LYS 19 -11.322 -5.118 -9.121 121 1HG LYS 19 HG2 LYS 19 -10.725 -5.187 -11.391 122 2HG LYS 19 HG1 LYS 19 -10.366 -3.545 -10.853 123 1HD LYS 19 HD2 LYS 19 -8.049 -3.958 -10.798 124 2HD LYS 19 HD1 LYS 19 -8.277 -5.706 -10.877 125 1HE LYS 19 HE2 LYS 19 -8.903 -5.624 -13.147 126 2HE LYS 19 HE1 LYS 19 -9.142 -3.878 -13.099 127 1HZ LYS 19 HZ1 LYS 19 -6.862 -3.492 -13.078 128 2HZ LYS 19 HZ2 LYS 19 -7.028 -4.762 -14.182 129 3HZ LYS 19 HZ3 LYS 19 -6.485 -5.074 -12.611 130 HA PRO 20 HA PRO 20 -5.966 -4.945 -6.385 131 1HB PRO 20 HB2 PRO 20 -6.579 -7.847 -6.650 132 2HB PRO 20 HB1 PRO 20 -5.861 -6.968 -5.296 133 1HG PRO 20 HG2 PRO 20 -8.390 -7.791 -5.189 134 2HG PRO 20 HG1 PRO 20 -7.915 -6.218 -4.521 135 1HD PRO 20 HD2 PRO 20 -9.342 -6.846 -7.068 136 2HD PRO 20 HD1 PRO 20 -9.566 -5.481 -5.954 137 H SER 21 HN SER 21 -4.097 -6.528 -7.114 138 HA SER 21 HA SER 21 -4.120 -7.591 -9.716 139 1HB SER 21 HB2 SER 21 -3.430 -4.711 -9.455 140 2HB SER 21 HB1 SER 21 -2.409 -5.685 -10.512 141 HG SER 21 HG SER 21 -4.084 -4.914 -11.742 142 H GLY 22 HN GLY 22 -2.366 -8.862 -10.010 143 1HA GLY 22 HA2 GLY 22 -0.639 -9.422 -7.893 144 2HA GLY 22 HA1 GLY 22 -0.381 -9.919 -9.558 145 H GLU 23 HN GLU 23 -0.353 -7.057 -10.434 146 HA GLU 23 HA GLU 23 2.380 -6.639 -10.475 147 1HB GLU 23 HB2 GLU 23 0.409 -5.629 -11.873 148 2HB GLU 23 HB1 GLU 23 0.455 -4.353 -10.656 149 1HG GLU 23 HG2 GLU 23 3.075 -4.596 -11.313 150 2HG GLU 23 HG1 GLU 23 2.280 -4.944 -12.845 151 H CYS 24 HN CYS 24 -0.093 -5.110 -8.425 152 HA CYS 24 HA CYS 24 1.515 -3.344 -7.053 153 1HB CYS 24 HB2 CYS 24 -0.925 -3.325 -6.880 154 2HB CYS 24 HB1 CYS 24 -0.883 -4.851 -6.003 155 H CYS 25 HN CYS 25 1.204 -6.771 -6.666 156 HA CYS 25 HA CYS 25 2.409 -6.942 -4.092 157 1HB CYS 25 HB2 CYS 25 1.604 -8.846 -6.209 158 2HB CYS 25 HB1 CYS 25 2.896 -9.385 -5.144 159 H GLY 26 HN GLY 26 3.663 -7.679 -7.352 160 1HA GLY 26 HA2 GLY 26 6.302 -8.181 -6.614 161 2HA GLY 26 HA1 GLY 26 5.797 -7.599 -8.194 162 H ASN 27 HN ASN 27 4.653 -5.127 -7.087 163 HA ASN 27 HA ASN 27 6.972 -3.539 -7.212 164 1HB ASN 27 HB2 ASN 27 4.123 -2.834 -6.534 165 2HB ASN 27 HB1 ASN 27 5.403 -1.645 -6.754 166 1HD2 ASN 27 HD21 ASN 27 6.667 -2.050 -8.882 167 2HD2 ASN 27 HD22 ASN 27 5.679 -2.275 -10.281 168 H LEU 28 HN LEU 28 4.548 -3.687 -4.661 169 HA LEU 28 HA LEU 28 6.005 -2.396 -2.718 170 1HB LEU 28 HB2 LEU 28 4.521 -3.342 -1.080 171 2HB LEU 28 HB1 LEU 28 3.613 -2.911 -2.517 172 HG LEU 28 HG LEU 28 4.112 -5.478 -3.084 173 1HD1 LEU 28 HD11 LEU 28 3.603 -5.684 -0.159 174 2HD1 LEU 28 HD12 LEU 28 5.262 -5.527 -0.736 175 3HD1 LEU 28 HD13 LEU 28 4.264 -6.876 -1.275 176 1HD2 LEU 28 HD21 LEU 28 1.868 -5.923 -2.507 177 2HD2 LEU 28 HD22 LEU 28 1.926 -4.208 -2.911 178 3HD2 LEU 28 HD23 LEU 28 1.880 -4.715 -1.223 179 H ARG 29 HN ARG 29 6.310 -5.616 -3.900 180 HA ARG 29 HA ARG 29 7.608 -6.849 -1.795 181 1HB ARG 29 HB2 ARG 29 7.208 -7.328 -4.629 182 2HB ARG 29 HB1 ARG 29 8.782 -7.891 -4.088 183 1HG ARG 29 HG2 ARG 29 6.963 -9.591 -4.038 184 2HG ARG 29 HG1 ARG 29 7.813 -9.364 -2.513 185 1HD ARG 29 HD2 ARG 29 5.850 -7.655 -2.076 186 2HD ARG 29 HD1 ARG 29 5.023 -8.656 -3.267 187 HE ARG 29 HE ARG 29 5.700 -9.373 -0.565 188 1HH1 ARG 29 HH11 ARG 29 4.944 -10.582 -3.751 189 2HH1 ARG 29 HH12 ARG 29 4.395 -12.119 -3.173 190 1HH2 ARG 29 HH21 ARG 29 4.979 -11.395 0.196 191 2HH2 ARG 29 HH22 ARG 29 4.414 -12.581 -0.933 192 H ALA 30 HN ALA 30 8.897 -4.935 -4.436 193 HA ALA 30 HA ALA 30 11.595 -5.238 -3.955 194 1HB ALA 30 HB1 ALA 30 10.747 -2.505 -4.649 195 2HB ALA 30 HB2 ALA 30 10.163 -3.786 -5.712 196 3HB ALA 30 HB3 ALA 30 11.895 -3.575 -5.454 197 H GLN 31 HN GLN 31 9.202 -3.528 -2.168 198 HA GLN 31 HA GLN 31 11.077 -1.965 -0.621 199 1HB GLN 31 HB2 GLN 31 8.262 -2.369 0.272 200 2HB GLN 31 HB1 GLN 31 9.256 -0.920 0.319 201 1HG GLN 31 HG2 GLN 31 9.036 -1.180 -2.320 202 2HG GLN 31 HG1 GLN 31 7.543 -1.976 -1.836 203 1HE2 GLN 31 HE21 GLN 31 9.227 0.986 -2.135 204 2HE2 GLN 31 HE22 GLN 31 7.938 2.028 -1.622 205 H GLN 32 HN GLN 32 8.581 -4.253 0.463 206 HA GLN 32 HA GLN 32 8.513 -5.686 2.221 207 1HB GLN 32 HB2 GLN 32 10.447 -6.469 0.503 208 2HB GLN 32 HB1 GLN 32 11.350 -6.392 2.012 209 1HG GLN 32 HG2 GLN 32 10.526 -8.360 2.590 210 2HG GLN 32 HG1 GLN 32 8.904 -7.668 2.569 211 1HE2 GLN 32 HE21 GLN 32 7.823 -7.605 0.454 212 2HE2 GLN 32 HE22 GLN 32 8.078 -8.924 -0.632 213 H GLY 33 HN GLY 33 9.660 -2.874 2.617 214 1HA GLY 33 HA2 GLY 33 9.936 -2.967 5.396 215 2HA GLY 33 HA1 GLY 33 11.551 -2.945 4.703 216 H CYS 34 HN CYS 34 8.874 -1.356 3.145 217 HA CYS 34 HA CYS 34 9.783 1.216 4.060 218 1HB CYS 34 HB2 CYS 34 10.701 0.390 1.771 219 2HB CYS 34 HB1 CYS 34 9.100 0.845 1.219 220 H PHE 35 HN PHE 35 7.308 -0.703 2.562 221 HA PHE 35 HA PHE 35 5.335 1.159 2.122 222 1HB PHE 35 HB2 PHE 35 3.773 -0.850 2.885 223 2HB PHE 35 HB1 PHE 35 4.609 -0.854 1.341 224 HD1 PHE 35 HD1 PHE 35 6.155 -2.585 0.823 225 HD2 PHE 35 HD2 PHE 35 4.729 -2.118 4.813 226 HE1 PHE 35 HE1 PHE 35 7.112 -4.758 1.424 227 HE2 PHE 35 HE2 PHE 35 5.711 -4.288 5.416 228 HZ PHE 35 HZ PHE 35 6.904 -5.612 3.720 229 H CYS 36 HN CYS 36 5.906 -0.663 5.042 230 HA CYS 36 HA CYS 36 3.855 0.275 6.633 231 1HB CYS 36 HB2 CYS 36 5.973 -1.397 7.025 232 2HB CYS 36 HB1 CYS 36 6.431 -0.030 8.035 233 H GLN 37 HN GLN 37 7.026 1.726 6.056 234 HA GLN 37 HA GLN 37 6.951 3.763 7.913 235 1HB GLN 37 HB2 GLN 37 8.154 3.770 5.150 236 2HB GLN 37 HB1 GLN 37 8.481 4.988 6.374 237 1HG GLN 37 HG2 GLN 37 9.487 3.341 7.812 238 2HG GLN 37 HG1 GLN 37 9.055 2.052 6.690 239 1HE2 GLN 37 HE21 GLN 37 9.734 3.092 4.288 240 2HE2 GLN 37 HE22 GLN 37 11.437 3.372 4.215 241 H TYR 38 HN TYR 38 5.294 3.474 4.888 242 HA TYR 38 HA TYR 38 4.515 6.241 4.749 243 1HB TYR 38 HB2 TYR 38 3.684 3.785 3.205 244 2HB TYR 38 HB1 TYR 38 2.984 5.375 2.913 245 HD1 TYR 38 HD1 TYR 38 4.733 7.292 2.468 246 HD2 TYR 38 HD2 TYR 38 5.541 3.144 1.983 247 HE1 TYR 38 HE1 TYR 38 6.596 7.838 0.959 248 HE2 TYR 38 HE2 TYR 38 7.407 3.678 0.473 249 HH TYR 38 HH TYR 38 7.902 6.815 -0.799 250 H ALA 39 HN ALA 39 3.307 3.383 6.245 251 HA ALA 39 HA ALA 39 0.595 3.886 6.392 252 1HB ALA 39 HB1 ALA 39 2.319 2.582 8.485 253 2HB ALA 39 HB2 ALA 39 1.630 1.780 7.074 254 3HB ALA 39 HB3 ALA 39 0.570 2.422 8.328 255 H LYS 40 HN LYS 40 3.168 5.571 7.900 256 HA LYS 40 HA LYS 40 1.302 6.852 9.778 257 1HB LYS 40 HB2 LYS 40 3.518 5.722 10.543 258 2HB LYS 40 HB1 LYS 40 4.281 7.175 9.911 259 1HG LYS 40 HG2 LYS 40 3.949 7.484 12.242 260 2HG LYS 40 HG1 LYS 40 2.791 8.514 11.399 261 1HD LYS 40 HD2 LYS 40 1.813 5.816 12.021 262 2HD LYS 40 HD1 LYS 40 2.166 6.815 13.432 263 1HE LYS 40 HE2 LYS 40 0.832 8.609 11.973 264 2HE LYS 40 HE1 LYS 40 0.097 7.139 11.335 265 1HZ LYS 40 HZ1 LYS 40 -0.702 6.547 13.436 266 2HZ LYS 40 HZ2 LYS 40 -1.010 8.207 13.327 267 3HZ LYS 40 HZ3 LYS 40 0.299 7.649 14.242 268 H ASP 41 HN ASP 41 2.212 7.351 6.774 269 HA ASP 41 HA ASP 41 3.151 10.067 6.902 270 1HB ASP 41 HB2 ASP 41 3.876 8.674 5.063 271 2HB ASP 41 HB1 ASP 41 2.205 8.353 4.597 272 HA PRO 42 HA PRO 42 -0.889 11.872 7.374 273 1HB PRO 42 HB2 PRO 42 -0.234 14.423 6.624 274 2HB PRO 42 HB1 PRO 42 0.092 13.749 8.224 275 1HG PRO 42 HG2 PRO 42 1.932 14.074 5.892 276 2HG PRO 42 HG1 PRO 42 2.248 14.329 7.617 277 1HD PRO 42 HD2 PRO 42 3.052 12.104 6.306 278 2HD PRO 42 HD1 PRO 42 2.583 12.086 8.018 279 H THR 43 HN THR 43 0.849 13.225 4.555 280 HA THR 43 HA THR 43 -1.373 13.803 3.013 281 HB THR 43 HB THR 43 0.411 13.250 1.079 282 HG1 THR 43 HG1 THR 43 2.056 12.410 2.165 283 1HG2 THR 43 HG21 THR 43 1.396 15.490 1.423 284 2HG2 THR 43 HG22 THR 43 0.550 15.585 2.967 285 3HG2 THR 43 HG23 THR 43 -0.367 15.478 1.464 286 H TYR 44 HN TYR 44 0.154 10.735 3.590 287 HA TYR 44 HA TYR 44 -1.410 9.462 1.468 288 1HB TYR 44 HB2 TYR 44 0.905 8.586 3.166 289 2HB TYR 44 HB1 TYR 44 -0.077 7.400 2.317 290 HD1 TYR 44 HD1 TYR 44 0.593 10.724 0.893 291 HD2 TYR 44 HD2 TYR 44 1.754 6.630 0.941 292 HE1 TYR 44 HE1 TYR 44 1.926 11.085 -1.140 293 HE2 TYR 44 HE2 TYR 44 3.090 6.982 -1.093 294 HH TYR 44 HH TYR 44 3.250 8.491 -2.955 295 H GLY 45 HN GLY 45 -2.322 10.496 4.256 296 1HA GLY 45 HA2 GLY 45 -3.089 8.304 5.825 297 2HA GLY 45 HA1 GLY 45 -3.875 9.875 5.824 298 H GLN 46 HN GLN 46 -4.635 9.777 3.030 299 HA GLN 46 HA GLN 46 -7.095 8.379 3.322 300 1HB GLN 46 HB2 GLN 46 -5.976 9.570 0.785 301 2HB GLN 46 HB1 GLN 46 -7.664 9.255 1.162 302 1HG GLN 46 HG2 GLN 46 -6.208 11.065 2.987 303 2HG GLN 46 HG1 GLN 46 -6.547 11.665 1.365 304 1HE2 GLN 46 HE21 GLN 46 -7.619 12.784 3.683 305 2HE2 GLN 46 HE22 GLN 46 -9.338 12.536 3.671 306 H TYR 47 HN TYR 47 -4.024 7.652 1.895 307 HA TYR 47 HA TYR 47 -4.924 5.524 0.218 308 1HB TYR 47 HB2 TYR 47 -2.725 6.940 0.128 309 2HB TYR 47 HB1 TYR 47 -2.149 5.699 1.234 310 HD1 TYR 47 HD1 TYR 47 -1.670 3.474 0.487 311 HD2 TYR 47 HD2 TYR 47 -3.337 6.343 -2.173 312 HE1 TYR 47 HE1 TYR 47 -1.143 2.005 -1.414 313 HE2 TYR 47 HE2 TYR 47 -2.819 4.883 -4.081 314 HH TYR 47 HH TYR 47 -0.718 2.592 -4.128 315 H ILE 48 HN ILE 48 -3.338 5.706 3.372 316 HA ILE 48 HA ILE 48 -3.245 2.905 3.784 317 HB ILE 48 HB ILE 48 -3.147 5.079 5.874 318 1HG1 ILE 48 HG12 ILE 48 -1.484 5.374 4.034 319 2HG1 ILE 48 HG11 ILE 48 -0.748 5.074 5.604 320 1HG2 ILE 48 HG21 ILE 48 -2.006 3.473 7.249 321 2HG2 ILE 48 HG22 ILE 48 -2.015 2.287 5.944 322 3HG2 ILE 48 HG23 ILE 48 -3.530 2.772 6.704 323 1HD1 ILE 48 HD11 ILE 48 -1.052 3.135 3.328 324 2HD1 ILE 48 HD12 ILE 48 -0.501 2.682 4.941 325 3HD1 ILE 48 HD13 ILE 48 0.440 3.818 3.974 326 H ARG 49 HN ARG 49 -5.563 5.420 4.670 327 HA ARG 49 HA ARG 49 -7.125 3.611 6.265 328 1HB ARG 49 HB2 ARG 49 -7.733 6.410 5.314 329 2HB ARG 49 HB1 ARG 49 -8.720 5.501 6.450 330 1HG ARG 49 HG2 ARG 49 -5.824 6.057 6.985 331 2HG ARG 49 HG1 ARG 49 -7.088 7.220 7.393 332 1HD ARG 49 HD2 ARG 49 -8.206 5.192 8.571 333 2HD ARG 49 HD1 ARG 49 -6.590 4.489 8.511 334 HE ARG 49 HE ARG 49 -5.925 5.952 10.144 335 1HH1 ARG 49 HH11 ARG 49 -8.985 7.014 8.845 336 2HH1 ARG 49 HH12 ARG 49 -9.217 8.233 10.053 337 1HH2 ARG 49 HH21 ARG 49 -6.228 7.555 11.733 338 2HH2 ARG 49 HH22 ARG 49 -7.652 8.541 11.692 339 H SER 50 HN SER 50 -6.689 3.026 3.406 340 HA SER 50 HA SER 50 -9.274 3.265 2.173 341 1HB SER 50 HB2 SER 50 -6.864 3.134 1.086 342 2HB SER 50 HB1 SER 50 -7.233 1.412 1.126 343 HG SER 50 HG SER 50 -8.726 3.456 -0.136 344 HA PRO 51 HA PRO 51 -10.823 -0.591 3.670 345 1HB PRO 51 HB2 PRO 51 -12.666 -1.090 1.660 346 2HB PRO 51 HB1 PRO 51 -12.932 -0.044 3.053 347 1HG PRO 51 HG2 PRO 51 -12.644 0.688 0.276 348 2HG PRO 51 HG1 PRO 51 -13.054 1.716 1.655 349 1HD PRO 51 HD2 PRO 51 -10.523 1.431 0.260 350 2HD PRO 51 HD1 PRO 51 -11.006 2.642 1.462 351 H HIS 52 HN HIS 52 -10.174 -0.499 0.200 352 HA HIS 52 HA HIS 52 -9.834 -3.346 0.003 353 1HB HIS 52 HB2 HIS 52 -8.890 -1.572 -2.184 354 2HB HIS 52 HB1 HIS 52 -9.854 -3.043 -2.264 355 HD1 HIS 52 HD1 HIS 52 -10.450 -0.155 -3.628 356 HD2 HIS 52 HD2 HIS 52 -12.318 -1.816 -0.312 357 HE1 HIS 52 HE1 HIS 52 -12.680 0.998 -3.454 358 HE2 HIS 52 HE2 HIS 52 -13.759 0.025 -1.406 359 H ALA 53 HN ALA 53 -7.801 -0.706 0.772 360 HA ALA 53 HA ALA 53 -5.356 -1.516 -0.233 361 1HB ALA 53 HB1 ALA 53 -5.453 0.642 0.667 362 2HB ALA 53 HB2 ALA 53 -4.405 -0.258 1.762 363 3HB ALA 53 HB3 ALA 53 -6.082 0.057 2.207 364 H ARG 54 HN ARG 54 -6.723 -2.160 2.942 365 HA ARG 54 HA ARG 54 -4.690 -3.776 3.905 366 1HB ARG 54 HB2 ARG 54 -7.120 -2.843 4.857 367 2HB ARG 54 HB1 ARG 54 -7.312 -4.590 4.861 368 1HG ARG 54 HG2 ARG 54 -5.550 -4.900 6.360 369 2HG ARG 54 HG1 ARG 54 -4.906 -3.282 6.073 370 1HD ARG 54 HD2 ARG 54 -6.118 -3.625 8.263 371 2HD ARG 54 HD1 ARG 54 -6.657 -2.263 7.282 372 HE ARG 54 HE ARG 54 -8.352 -4.178 6.511 373 1HH1 ARG 54 HH11 ARG 54 -7.338 -3.165 9.696 374 2HH1 ARG 54 HH12 ARG 54 -8.831 -3.614 10.448 375 1HH2 ARG 54 HH21 ARG 54 -10.313 -4.770 7.502 376 2HH2 ARG 54 HH22 ARG 54 -10.519 -4.525 9.204 377 H ASP 55 HN ASP 55 -7.411 -4.521 1.880 378 HA ASP 55 HA ASP 55 -7.218 -7.334 2.064 379 1HB ASP 55 HB2 ASP 55 -9.169 -5.845 1.191 380 2HB ASP 55 HB1 ASP 55 -8.310 -5.991 -0.338 381 H THR 56 HN THR 56 -5.945 -4.964 -0.158 382 HA THR 56 HA THR 56 -4.825 -6.690 -2.022 383 HB THR 56 HB THR 56 -3.514 -4.127 -1.341 384 HG1 THR 56 HG1 THR 56 -5.158 -2.994 -2.322 385 1HG2 THR 56 HG21 THR 56 -3.809 -3.924 -3.912 386 2HG2 THR 56 HG22 THR 56 -4.019 -5.673 -3.823 387 3HG2 THR 56 HG23 THR 56 -2.528 -4.932 -3.241 388 H LEU 57 HN LEU 57 -3.380 -5.171 0.835 389 HA LEU 57 HA LEU 57 -0.849 -6.284 0.561 390 1HB LEU 57 HB2 LEU 57 -2.337 -4.878 2.611 391 2HB LEU 57 HB1 LEU 57 -1.145 -5.988 3.265 392 HG LEU 57 HG LEU 57 0.096 -4.512 1.190 393 1HD1 LEU 57 HD11 LEU 57 -0.160 -2.245 1.861 394 2HD1 LEU 57 HD12 LEU 57 -1.176 -2.704 3.227 395 3HD1 LEU 57 HD13 LEU 57 -1.774 -2.898 1.579 396 1HD2 LEU 57 HD21 LEU 57 1.746 -4.353 2.710 397 2HD2 LEU 57 HD22 LEU 57 0.759 -5.501 3.613 398 3HD2 LEU 57 HD23 LEU 57 0.662 -3.779 3.977 399 H THR 58 HN THR 58 -3.621 -7.361 2.427 400 HA THR 58 HA THR 58 -2.446 -9.640 3.529 401 HB THR 58 HB THR 58 -5.356 -9.151 2.869 402 HG1 THR 58 HG1 THR 58 -4.911 -7.632 4.302 403 1HG2 THR 58 HG21 THR 58 -4.007 -11.338 4.297 404 2HG2 THR 58 HG22 THR 58 -5.565 -11.302 3.472 405 3HG2 THR 58 HG23 THR 58 -5.414 -10.639 5.099 406 H SER 59 HN SER 59 -4.274 -9.168 0.536 407 HA SER 59 HA SER 59 -4.491 -11.764 -0.333 408 1HB SER 59 HB2 SER 59 -5.273 -9.506 -1.377 409 2HB SER 59 HB1 SER 59 -3.745 -9.623 -2.236 410 HG SER 59 HG SER 59 -4.413 -11.632 -3.054 411 H CYS 60 HN CYS 60 -1.782 -9.634 -0.257 412 HA CYS 60 HA CYS 60 -0.062 -11.257 -1.873 413 1HB CYS 60 HB2 CYS 60 -0.075 -8.637 -1.151 414 2HB CYS 60 HB1 CYS 60 1.104 -9.280 -0.021 415 H GLY 61 HN GLY 61 -0.748 -10.807 1.545 416 1HA GLY 61 HA2 GLY 61 -0.222 -12.131 3.349 417 2HA GLY 61 HA1 GLY 61 0.389 -13.329 2.218 418 H LEU 62 HN LEU 62 1.332 -10.034 3.229 419 HA LEU 62 HA LEU 62 4.053 -11.084 3.632 420 1HB LEU 62 HB2 LEU 62 4.462 -8.407 3.307 421 2HB LEU 62 HB1 LEU 62 4.693 -9.624 2.072 422 HG LEU 62 HG LEU 62 1.983 -8.915 1.875 423 1HD1 LEU 62 HD11 LEU 62 1.939 -6.916 2.937 424 2HD1 LEU 62 HD12 LEU 62 2.560 -6.367 1.381 425 3HD1 LEU 62 HD13 LEU 62 3.668 -6.637 2.726 426 1HD2 LEU 62 HD21 LEU 62 4.413 -8.135 0.282 427 2HD2 LEU 62 HD22 LEU 62 2.754 -7.857 -0.245 428 3HD2 LEU 62 HD23 LEU 62 3.337 -9.503 -0.001 429 H ALA 63 HN ALA 63 2.649 -7.941 4.457 430 HA ALA 63 HA ALA 63 2.636 -8.602 7.264 431 1HB ALA 63 HB1 ALA 63 4.965 -7.923 6.825 432 2HB ALA 63 HB2 ALA 63 4.137 -6.833 7.937 433 3HB ALA 63 HB3 ALA 63 4.376 -6.361 6.255 434 H VAL 64 HN VAL 64 1.877 -6.689 8.591 435 HA VAL 64 HA VAL 64 -0.155 -5.236 7.083 436 HB VAL 64 HB VAL 64 -0.941 -6.853 8.827 437 1HG1 VAL 64 HG11 VAL 64 -0.435 -6.680 11.030 438 2HG1 VAL 64 HG12 VAL 64 -0.256 -4.926 10.967 439 3HG1 VAL 64 HG13 VAL 64 1.039 -5.966 10.374 440 1HG2 VAL 64 HG21 VAL 64 -2.436 -5.131 8.122 441 2HG2 VAL 64 HG22 VAL 64 -1.628 -3.936 9.138 442 3HG2 VAL 64 HG23 VAL 64 -2.547 -5.247 9.878 443 HA PRO 65 HA PRO 65 1.995 -1.459 8.015 444 1HB PRO 65 HB2 PRO 65 -0.126 0.271 7.866 445 2HB PRO 65 HB1 PRO 65 0.715 -0.377 6.454 446 1HG PRO 65 HG2 PRO 65 -1.834 -1.292 7.727 447 2HG PRO 65 HG1 PRO 65 -1.454 -1.085 6.007 448 1HD PRO 65 HD2 PRO 65 -1.438 -3.507 7.150 449 2HD PRO 65 HD1 PRO 65 -0.252 -3.068 5.903 450 H HIS 66 HN HIS 66 0.999 0.719 9.334 451 HA HIS 66 HA HIS 66 0.786 1.582 11.427 452 1HB HIS 66 HB2 HIS 66 -1.132 -0.743 11.613 453 2HB HIS 66 HB1 HIS 66 -0.960 0.464 12.884 454 HD1 HIS 66 HD1 HIS 66 -2.226 0.018 9.389 455 HD2 HIS 66 HD2 HIS 66 -2.154 2.924 12.353 456 HE1 HIS 66 HE1 HIS 66 -3.806 1.809 8.619 457 HE2 HIS 66 HE2 HIS 66 -3.673 3.602 10.378 458 H CYS 67 HN CYS 67 2.970 -0.203 10.970 459 HA CYS 67 HA CYS 67 3.236 -1.832 13.350 460 1HB CYS 67 HB2 CYS 67 5.476 -2.371 12.433 461 2HB CYS 67 HB1 CYS 67 4.181 -2.674 11.279 Start of MODEL 8 1 1H ALA 1 HT1 ALA 1 10.932 5.097 2.363 2 2H ALA 1 HT2 ALA 1 10.277 5.939 1.019 3 3H ALA 1 HT3 ALA 1 10.640 6.783 2.469 4 HA ALA 1 HA ALA 1 12.246 7.135 0.702 5 1HB ALA 1 HB1 ALA 1 13.216 5.745 3.195 6 2HB ALA 1 HB2 ALA 1 12.880 7.466 3.009 7 3HB ALA 1 HB3 ALA 1 14.217 6.728 2.128 8 H CYS 2 HN CYS 2 11.773 5.675 -1.066 9 HA CYS 2 HA CYS 2 13.861 3.717 -1.394 10 1HB CYS 2 HB2 CYS 2 11.980 2.039 -2.218 11 2HB CYS 2 HB1 CYS 2 12.501 2.075 -0.538 12 H GLN 3 HN GLN 3 10.705 4.562 -2.840 13 HA GLN 3 HA GLN 3 11.960 5.672 -5.168 14 1HB GLN 3 HB2 GLN 3 11.897 3.060 -5.371 15 2HB GLN 3 HB1 GLN 3 10.199 3.322 -5.740 16 1HG GLN 3 HG2 GLN 3 10.998 3.403 -7.846 17 2HG GLN 3 HG1 GLN 3 11.258 5.094 -7.422 18 1HE2 GLN 3 HE21 GLN 3 13.408 5.633 -6.551 19 2HE2 GLN 3 HE22 GLN 3 14.782 4.804 -7.192 20 H ALA 4 HN ALA 4 8.981 4.386 -3.742 21 HA ALA 4 HA ALA 4 6.897 5.285 -3.540 22 1HB ALA 4 HB1 ALA 4 7.540 7.843 -4.866 23 2HB ALA 4 HB2 ALA 4 8.457 7.467 -3.407 24 3HB ALA 4 HB3 ALA 4 6.696 7.527 -3.349 25 H SER 5 HN SER 5 8.013 4.024 -6.053 26 HA SER 5 HA SER 5 5.906 4.962 -7.888 27 1HB SER 5 HB2 SER 5 8.558 5.141 -8.414 28 2HB SER 5 HB1 SER 5 8.217 3.538 -9.064 29 HG SER 5 HG SER 5 7.909 5.538 -10.445 30 H GLN 6 HN GLN 6 7.290 2.299 -6.210 31 HA GLN 6 HA GLN 6 6.234 0.248 -7.849 32 1HB GLN 6 HB2 GLN 6 7.268 0.204 -5.016 33 2HB GLN 6 HB1 GLN 6 6.819 -1.232 -5.927 34 1HG GLN 6 HG2 GLN 6 8.749 0.572 -7.231 35 2HG GLN 6 HG1 GLN 6 9.317 -0.269 -5.790 36 1HE2 GLN 6 HE21 GLN 6 8.517 -0.526 -9.100 37 2HE2 GLN 6 HE22 GLN 6 8.873 -2.205 -9.293 38 H LEU 7 HN LEU 7 4.755 2.407 -5.792 39 HA LEU 7 HA LEU 7 2.561 0.527 -5.225 40 1HB LEU 7 HB2 LEU 7 2.871 3.095 -3.738 41 2HB LEU 7 HB1 LEU 7 2.121 1.596 -3.224 42 HG LEU 7 HG LEU 7 5.100 1.886 -3.599 43 1HD1 LEU 7 HD11 LEU 7 3.835 3.366 -1.799 44 2HD1 LEU 7 HD12 LEU 7 5.381 2.590 -1.454 45 3HD1 LEU 7 HD13 LEU 7 3.880 1.854 -0.894 46 1HD2 LEU 7 HD21 LEU 7 4.791 -0.048 -1.794 47 2HD2 LEU 7 HD22 LEU 7 4.779 -0.363 -3.529 48 3HD2 LEU 7 HD23 LEU 7 3.258 -0.233 -2.645 49 H ALA 8 HN ALA 8 3.455 3.444 -6.820 50 HA ALA 8 HA ALA 8 1.150 4.907 -6.930 51 1HB ALA 8 HB1 ALA 8 3.476 5.265 -8.053 52 2HB ALA 8 HB2 ALA 8 2.032 6.000 -8.749 53 3HB ALA 8 HB3 ALA 8 2.691 4.520 -9.446 54 H VAL 9 HN VAL 9 2.035 2.248 -9.055 55 HA VAL 9 HA VAL 9 -0.221 2.219 -10.658 56 HB VAL 9 HB VAL 9 1.798 0.927 -11.175 57 1HG1 VAL 9 HG11 VAL 9 0.920 -0.748 -8.834 58 2HG1 VAL 9 HG12 VAL 9 2.454 0.095 -9.053 59 3HG1 VAL 9 HG13 VAL 9 2.069 -1.308 -10.050 60 1HG2 VAL 9 HG21 VAL 9 0.725 -0.816 -12.271 61 2HG2 VAL 9 HG22 VAL 9 -0.577 0.345 -12.014 62 3HG2 VAL 9 HG23 VAL 9 -0.430 -1.062 -10.961 63 H CYS 10 HN CYS 10 0.182 1.207 -7.401 64 HA CYS 10 HA CYS 10 -2.128 -0.522 -7.335 65 1HB CYS 10 HB2 CYS 10 0.024 -0.547 -5.835 66 2HB CYS 10 HB1 CYS 10 -0.859 0.644 -4.885 67 H ALA 11 HN ALA 11 -1.335 2.784 -6.579 68 HA ALA 11 HA ALA 11 -3.362 3.641 -4.989 69 1HB ALA 11 HB1 ALA 11 -2.828 5.421 -7.272 70 2HB ALA 11 HB2 ALA 11 -1.416 4.893 -6.357 71 3HB ALA 11 HB3 ALA 11 -2.733 5.736 -5.540 72 H SER 12 HN SER 12 -3.582 2.690 -8.306 73 HA SER 12 HA SER 12 -5.966 3.849 -9.081 74 1HB SER 12 HB2 SER 12 -4.428 1.454 -9.896 75 2HB SER 12 HB1 SER 12 -6.127 1.478 -10.367 76 HG SER 12 HG SER 12 -4.062 3.259 -11.071 77 H ALA 13 HN ALA 13 -5.428 0.791 -7.374 78 HA ALA 13 HA ALA 13 -8.227 0.226 -7.156 79 1HB ALA 13 HB1 ALA 13 -7.165 -1.767 -7.147 80 2HB ALA 13 HB2 ALA 13 -7.128 -1.486 -5.406 81 3HB ALA 13 HB3 ALA 13 -5.713 -1.111 -6.390 82 H ILE 14 HN ILE 14 -5.812 1.814 -5.217 83 HA ILE 14 HA ILE 14 -7.201 1.689 -2.737 84 HB ILE 14 HB ILE 14 -4.932 3.361 -3.772 85 1HG1 ILE 14 HG12 ILE 14 -4.030 2.258 -1.514 86 2HG1 ILE 14 HG11 ILE 14 -5.313 1.101 -1.867 87 1HG2 ILE 14 HG21 ILE 14 -6.158 4.924 -2.423 88 2HG2 ILE 14 HG22 ILE 14 -4.743 4.387 -1.520 89 3HG2 ILE 14 HG23 ILE 14 -6.334 3.736 -1.131 90 1HD1 ILE 14 HD11 ILE 14 -3.335 1.846 -3.978 91 2HD1 ILE 14 HD12 ILE 14 -4.296 0.377 -3.811 92 3HD1 ILE 14 HD13 ILE 14 -2.925 0.660 -2.739 93 H LEU 15 HN LEU 15 -6.637 4.481 -4.889 94 HA LEU 15 HA LEU 15 -8.647 6.063 -3.656 95 1HB LEU 15 HB2 LEU 15 -7.227 6.366 -6.300 96 2HB LEU 15 HB1 LEU 15 -8.295 7.575 -5.612 97 HG LEU 15 HG LEU 15 -6.059 6.675 -3.891 98 1HD1 LEU 15 HD11 LEU 15 -4.516 8.267 -5.033 99 2HD1 LEU 15 HD12 LEU 15 -5.654 8.323 -6.379 100 3HD1 LEU 15 HD13 LEU 15 -4.864 6.804 -5.954 101 1HD2 LEU 15 HD21 LEU 15 -6.349 8.686 -2.910 102 2HD2 LEU 15 HD22 LEU 15 -7.930 8.595 -3.687 103 3HD2 LEU 15 HD23 LEU 15 -6.628 9.515 -4.441 104 H SER 16 HN SER 16 -8.578 5.179 -7.100 105 HA SER 16 HA SER 16 -11.271 5.562 -7.584 106 1HB SER 16 HB2 SER 16 -9.043 4.254 -8.959 107 2HB SER 16 HB1 SER 16 -10.608 3.538 -9.345 108 HG SER 16 HG SER 16 -11.111 5.265 -10.430 109 H GLY 17 HN GLY 17 -9.734 2.353 -7.247 110 1HA GLY 17 HA2 GLY 17 -10.541 0.595 -5.885 111 2HA GLY 17 HA1 GLY 17 -12.073 1.442 -5.741 112 H ALA 18 HN ALA 18 -10.418 0.880 -8.780 113 HA ALA 18 HA ALA 18 -12.703 -0.216 -10.004 114 1HB ALA 18 HB1 ALA 18 -11.306 0.790 -11.525 115 2HB ALA 18 HB2 ALA 18 -10.907 -0.911 -11.772 116 3HB ALA 18 HB3 ALA 18 -9.853 0.110 -10.793 117 H LYS 19 HN LYS 19 -9.655 -1.709 -9.074 118 HA LYS 19 HA LYS 19 -10.727 -4.048 -8.017 119 1HB LYS 19 HB2 LYS 19 -9.900 -5.581 -9.969 120 2HB LYS 19 HB1 LYS 19 -11.507 -4.873 -10.031 121 1HG LYS 19 HG2 LYS 19 -10.279 -4.761 -12.176 122 2HG LYS 19 HG1 LYS 19 -10.772 -3.182 -11.561 123 1HD LYS 19 HD2 LYS 19 -8.572 -2.667 -10.854 124 2HD LYS 19 HD1 LYS 19 -8.036 -4.335 -11.070 125 1HE LYS 19 HE2 LYS 19 -7.216 -2.933 -12.878 126 2HE LYS 19 HE1 LYS 19 -8.367 -4.122 -13.488 127 1HZ LYS 19 HZ1 LYS 19 -9.128 -1.338 -12.808 128 2HZ LYS 19 HZ2 LYS 19 -10.033 -2.477 -13.670 129 3HZ LYS 19 HZ3 LYS 19 -8.641 -1.808 -14.359 130 HA PRO 20 HA PRO 20 -6.525 -4.513 -6.777 131 1HB PRO 20 HB2 PRO 20 -6.300 -7.199 -6.439 132 2HB PRO 20 HB1 PRO 20 -7.206 -6.163 -5.330 133 1HG PRO 20 HG2 PRO 20 -8.212 -7.887 -7.561 134 2HG PRO 20 HG1 PRO 20 -8.871 -7.672 -5.929 135 1HD PRO 20 HD2 PRO 20 -9.909 -6.419 -8.090 136 2HD PRO 20 HD1 PRO 20 -9.910 -5.686 -6.473 137 H SER 21 HN SER 21 -4.517 -6.006 -7.238 138 HA SER 21 HA SER 21 -4.347 -7.130 -9.852 139 1HB SER 21 HB2 SER 21 -2.449 -4.874 -9.635 140 2HB SER 21 HB1 SER 21 -3.314 -5.490 -11.043 141 HG SER 21 HG SER 21 -4.032 -3.402 -10.396 142 H GLY 22 HN GLY 22 -2.808 -8.647 -9.862 143 1HA GLY 22 HA2 GLY 22 -1.353 -9.316 -7.579 144 2HA GLY 22 HA1 GLY 22 -1.017 -9.918 -9.196 145 H GLU 23 HN GLU 23 -0.526 -7.176 -10.214 146 HA GLU 23 HA GLU 23 2.221 -7.076 -10.003 147 1HB GLU 23 HB2 GLU 23 0.521 -5.906 -11.617 148 2HB GLU 23 HB1 GLU 23 0.620 -4.585 -10.452 149 1HG GLU 23 HG2 GLU 23 3.233 -5.152 -10.841 150 2HG GLU 23 HG1 GLU 23 2.555 -5.520 -12.423 151 H CYS 24 HN CYS 24 -0.219 -5.187 -8.241 152 HA CYS 24 HA CYS 24 1.461 -3.553 -6.786 153 1HB CYS 24 HB2 CYS 24 -0.956 -3.231 -6.825 154 2HB CYS 24 HB1 CYS 24 -1.188 -4.736 -5.940 155 H CYS 25 HN CYS 25 0.677 -6.892 -6.331 156 HA CYS 25 HA CYS 25 1.739 -7.085 -3.673 157 1HB CYS 25 HB2 CYS 25 0.035 -8.651 -4.315 158 2HB CYS 25 HB1 CYS 25 0.957 -9.164 -5.722 159 H GLY 26 HN GLY 26 2.924 -7.644 -6.936 160 1HA GLY 26 HA2 GLY 26 5.419 -8.785 -6.046 161 2HA GLY 26 HA1 GLY 26 4.995 -8.358 -7.696 162 H ASN 27 HN ASN 27 4.277 -5.606 -6.993 163 HA ASN 27 HA ASN 27 6.784 -4.420 -7.355 164 1HB ASN 27 HB2 ASN 27 4.117 -3.216 -6.643 165 2HB ASN 27 HB1 ASN 27 5.545 -2.263 -7.037 166 1HD2 ASN 27 HD21 ASN 27 6.610 -2.975 -9.152 167 2HD2 ASN 27 HD22 ASN 27 5.537 -3.227 -10.482 168 H LEU 28 HN LEU 28 4.551 -4.073 -4.649 169 HA LEU 28 HA LEU 28 6.198 -2.707 -2.934 170 1HB LEU 28 HB2 LEU 28 4.815 -3.431 -1.126 171 2HB LEU 28 HB1 LEU 28 3.797 -3.177 -2.532 172 HG LEU 28 HG LEU 28 4.206 -5.764 -2.863 173 1HD1 LEU 28 HD11 LEU 28 5.575 -5.413 -0.518 174 2HD1 LEU 28 HD12 LEU 28 4.933 -6.946 -1.109 175 3HD1 LEU 28 HD13 LEU 28 4.002 -5.983 0.039 176 1HD2 LEU 28 HD21 LEU 28 2.076 -6.144 -1.955 177 2HD2 LEU 28 HD22 LEU 28 2.064 -4.448 -2.439 178 3HD2 LEU 28 HD23 LEU 28 2.275 -4.880 -0.742 179 H ARG 29 HN ARG 29 6.278 -6.037 -3.830 180 HA ARG 29 HA ARG 29 7.681 -7.177 -1.765 181 1HB ARG 29 HB2 ARG 29 6.943 -7.909 -4.373 182 2HB ARG 29 HB1 ARG 29 8.679 -8.167 -4.273 183 1HG ARG 29 HG2 ARG 29 8.398 -10.012 -3.085 184 2HG ARG 29 HG1 ARG 29 7.394 -9.160 -1.913 185 1HD ARG 29 HD2 ARG 29 5.753 -9.445 -4.125 186 2HD ARG 29 HD1 ARG 29 6.629 -10.973 -4.039 187 HE ARG 29 HE ARG 29 5.507 -10.063 -1.537 188 1HH1 ARG 29 HH11 ARG 29 4.995 -11.969 -4.419 189 2HH1 ARG 29 HH12 ARG 29 3.787 -12.973 -3.691 190 1HH2 ARG 29 HH21 ARG 29 3.920 -11.385 -0.580 191 2HH2 ARG 29 HH22 ARG 29 3.175 -12.641 -1.512 192 H ALA 30 HN ALA 30 8.892 -5.394 -4.530 193 HA ALA 30 HA ALA 30 11.612 -5.711 -4.094 194 1HB ALA 30 HB1 ALA 30 11.954 -3.842 -5.502 195 2HB ALA 30 HB2 ALA 30 10.377 -3.162 -5.101 196 3HB ALA 30 HB3 ALA 30 10.484 -4.623 -6.083 197 H GLN 31 HN GLN 31 9.250 -3.910 -2.379 198 HA GLN 31 HA GLN 31 11.112 -2.172 -1.023 199 1HB GLN 31 HB2 GLN 31 8.283 -2.677 -0.145 200 2HB GLN 31 HB1 GLN 31 9.250 -1.221 0.044 201 1HG GLN 31 HG2 GLN 31 8.732 -2.033 -2.733 202 2HG GLN 31 HG1 GLN 31 7.319 -1.536 -1.803 203 1HE2 GLN 31 HE21 GLN 31 7.022 0.563 -1.327 204 2HE2 GLN 31 HE22 GLN 31 8.086 1.836 -1.832 205 H GLN 32 HN GLN 32 8.743 -4.455 0.326 206 HA GLN 32 HA GLN 32 8.787 -5.731 2.203 207 1HB GLN 32 HB2 GLN 32 10.578 -6.667 0.438 208 2HB GLN 32 HB1 GLN 32 11.622 -6.417 1.834 209 1HG GLN 32 HG2 GLN 32 10.891 -8.302 2.729 210 2HG GLN 32 HG1 GLN 32 9.247 -7.664 2.728 211 1HE2 GLN 32 HE21 GLN 32 8.020 -7.915 0.725 212 2HE2 GLN 32 HE22 GLN 32 8.262 -9.341 -0.218 213 H GLY 33 HN GLY 33 9.901 -2.894 2.348 214 1HA GLY 33 HA2 GLY 33 10.384 -2.831 5.107 215 2HA GLY 33 HA1 GLY 33 11.936 -2.789 4.284 216 H CYS 34 HN CYS 34 9.099 -1.366 2.854 217 HA CYS 34 HA CYS 34 9.978 1.272 3.598 218 1HB CYS 34 HB2 CYS 34 10.771 0.380 1.291 219 2HB CYS 34 HB1 CYS 34 9.124 0.756 0.827 220 H PHE 35 HN PHE 35 7.466 -0.782 2.363 221 HA PHE 35 HA PHE 35 5.421 1.030 1.998 222 1HB PHE 35 HB2 PHE 35 3.943 -0.975 2.863 223 2HB PHE 35 HB1 PHE 35 4.735 -1.034 1.297 224 HD1 PHE 35 HD1 PHE 35 6.376 -2.707 0.831 225 HD2 PHE 35 HD2 PHE 35 4.883 -2.200 4.789 226 HE1 PHE 35 HE1 PHE 35 7.380 -4.842 1.486 227 HE2 PHE 35 HE2 PHE 35 5.911 -4.333 5.449 228 HZ PHE 35 HZ PHE 35 7.162 -5.658 3.796 229 H CYS 36 HN CYS 36 6.176 -0.750 4.906 230 HA CYS 36 HA CYS 36 4.222 0.202 6.600 231 1HB CYS 36 HB2 CYS 36 6.186 -1.530 6.959 232 2HB CYS 36 HB1 CYS 36 6.981 -0.140 7.690 233 H GLN 37 HN GLN 37 7.293 1.705 5.738 234 HA GLN 37 HA GLN 37 7.331 3.760 7.587 235 1HB GLN 37 HB2 GLN 37 8.314 3.783 4.737 236 2HB GLN 37 HB1 GLN 37 8.735 4.983 5.949 237 1HG GLN 37 HG2 GLN 37 9.839 3.293 7.284 238 2HG GLN 37 HG1 GLN 37 9.358 2.045 6.135 239 1HE2 GLN 37 HE21 GLN 37 9.871 3.172 3.743 240 2HE2 GLN 37 HE22 GLN 37 11.559 3.498 3.574 241 H TYR 38 HN TYR 38 5.422 3.376 4.732 242 HA TYR 38 HA TYR 38 4.617 6.124 4.544 243 1HB TYR 38 HB2 TYR 38 3.642 3.586 3.243 244 2HB TYR 38 HB1 TYR 38 2.856 5.138 2.972 245 HD1 TYR 38 HD1 TYR 38 4.690 7.085 2.421 246 HD2 TYR 38 HD2 TYR 38 5.120 2.932 1.610 247 HE1 TYR 38 HE1 TYR 38 6.321 7.605 0.656 248 HE2 TYR 38 HE2 TYR 38 6.754 3.439 -0.156 249 HH TYR 38 HH TYR 38 7.164 6.462 -1.468 250 H ALA 39 HN ALA 39 3.480 3.285 6.202 251 HA ALA 39 HA ALA 39 0.841 3.886 6.677 252 1HB ALA 39 HB1 ALA 39 2.714 2.643 8.677 253 2HB ALA 39 HB2 ALA 39 1.988 1.783 7.319 254 3HB ALA 39 HB3 ALA 39 0.964 2.447 8.592 255 H LYS 40 HN LYS 40 3.656 5.422 7.936 256 HA LYS 40 HA LYS 40 2.060 6.888 9.911 257 1HB LYS 40 HB2 LYS 40 4.324 5.695 10.434 258 2HB LYS 40 HB1 LYS 40 5.037 7.115 9.682 259 1HG LYS 40 HG2 LYS 40 4.949 8.068 11.684 260 2HG LYS 40 HG1 LYS 40 3.203 8.174 11.453 261 1HD LYS 40 HD2 LYS 40 4.324 5.619 12.481 262 2HD LYS 40 HD1 LYS 40 4.270 7.000 13.579 263 1HE LYS 40 HE2 LYS 40 1.971 7.085 13.576 264 2HE LYS 40 HE1 LYS 40 1.839 6.312 11.996 265 1HZ LYS 40 HZ1 LYS 40 2.408 4.212 12.971 266 2HZ LYS 40 HZ2 LYS 40 1.122 4.878 13.845 267 3HZ LYS 40 HZ3 LYS 40 2.689 4.925 14.480 268 H ASP 41 HN ASP 41 3.733 7.219 6.922 269 HA ASP 41 HA ASP 41 4.296 9.947 6.883 270 1HB ASP 41 HB2 ASP 41 5.077 8.348 5.171 271 2HB ASP 41 HB1 ASP 41 3.425 8.211 4.561 272 HA PRO 42 HA PRO 42 -0.021 11.303 6.854 273 1HB PRO 42 HB2 PRO 42 0.372 13.739 7.842 274 2HB PRO 42 HB1 PRO 42 0.565 12.313 8.874 275 1HG PRO 42 HG2 PRO 42 2.663 13.950 7.497 276 2HG PRO 42 HG1 PRO 42 2.644 13.335 9.161 277 1HD PRO 42 HD2 PRO 42 3.972 12.121 7.078 278 2HD PRO 42 HD1 PRO 42 3.400 11.268 8.525 279 H THR 43 HN THR 43 -0.345 11.391 4.623 280 HA THR 43 HA THR 43 -0.248 14.002 3.467 281 HB THR 43 HB THR 43 0.922 12.477 1.418 282 HG1 THR 43 HG1 THR 43 2.478 12.277 3.772 283 1HG2 THR 43 HG21 THR 43 2.670 14.038 1.449 284 2HG2 THR 43 HG22 THR 43 2.428 14.396 3.159 285 3HG2 THR 43 HG23 THR 43 1.235 14.920 1.971 286 H TYR 44 HN TYR 44 -0.726 10.545 2.857 287 HA TYR 44 HA TYR 44 -2.807 11.123 0.907 288 1HB TYR 44 HB2 TYR 44 -1.721 8.481 1.903 289 2HB TYR 44 HB1 TYR 44 -2.875 8.678 0.588 290 HD1 TYR 44 HD1 TYR 44 0.619 8.908 1.579 291 HD2 TYR 44 HD2 TYR 44 -2.160 9.674 -1.550 292 HE1 TYR 44 HE1 TYR 44 2.481 9.138 -0.010 293 HE2 TYR 44 HE2 TYR 44 -0.306 9.905 -3.148 294 HH TYR 44 HH TYR 44 2.921 9.021 -2.362 295 H GLY 45 HN GLY 45 -2.591 9.021 3.790 296 1HA GLY 45 HA2 GLY 45 -4.093 8.758 5.530 297 2HA GLY 45 HA1 GLY 45 -5.044 10.073 4.858 298 H GLN 46 HN GLN 46 -5.957 9.321 2.536 299 HA GLN 46 HA GLN 46 -7.863 7.317 3.141 300 1HB GLN 46 HB2 GLN 46 -7.727 9.398 1.362 301 2HB GLN 46 HB1 GLN 46 -7.553 8.004 0.305 302 1HG GLN 46 HG2 GLN 46 -9.643 7.139 0.919 303 2HG GLN 46 HG1 GLN 46 -9.758 8.193 2.327 304 1HE2 GLN 46 HE21 GLN 46 -11.881 8.152 0.765 305 2HE2 GLN 46 HE22 GLN 46 -11.998 9.591 -0.201 306 H TYR 47 HN TYR 47 -4.697 7.142 1.962 307 HA TYR 47 HA TYR 47 -5.027 4.794 0.345 308 1HB TYR 47 HB2 TYR 47 -3.187 6.644 0.232 309 2HB TYR 47 HB1 TYR 47 -2.419 5.644 1.458 310 HD1 TYR 47 HD1 TYR 47 -2.720 6.212 -1.981 311 HD2 TYR 47 HD2 TYR 47 -2.229 3.086 0.861 312 HE1 TYR 47 HE1 TYR 47 -1.787 4.767 -3.741 313 HE2 TYR 47 HE2 TYR 47 -1.295 1.631 -0.889 314 HH TYR 47 HH TYR 47 -1.438 2.444 -4.223 315 H ILE 48 HN ILE 48 -3.407 5.439 3.445 316 HA ILE 48 HA ILE 48 -2.932 2.721 4.036 317 HB ILE 48 HB ILE 48 -3.131 4.992 6.014 318 1HG1 ILE 48 HG12 ILE 48 -1.577 5.559 4.204 319 2HG1 ILE 48 HG11 ILE 48 -0.705 5.249 5.702 320 1HG2 ILE 48 HG21 ILE 48 -1.256 3.417 7.032 321 2HG2 ILE 48 HG22 ILE 48 -2.154 2.193 6.135 322 3HG2 ILE 48 HG23 ILE 48 -2.970 3.163 7.360 323 1HD1 ILE 48 HD11 ILE 48 0.393 4.280 3.733 324 2HD1 ILE 48 HD12 ILE 48 -1.028 3.273 3.457 325 3HD1 ILE 48 HD13 ILE 48 -0.067 3.061 4.921 326 H ARG 49 HN ARG 49 -5.314 4.991 5.425 327 HA ARG 49 HA ARG 49 -6.706 2.833 6.719 328 1HB ARG 49 HB2 ARG 49 -7.655 5.680 6.438 329 2HB ARG 49 HB1 ARG 49 -8.135 4.503 7.654 330 1HG ARG 49 HG2 ARG 49 -5.412 4.654 7.988 331 2HG ARG 49 HG1 ARG 49 -5.862 6.316 7.600 332 1HD ARG 49 HD2 ARG 49 -7.810 5.655 9.362 333 2HD ARG 49 HD1 ARG 49 -6.470 4.688 9.976 334 HE ARG 49 HE ARG 49 -5.424 6.615 10.649 335 1HH1 ARG 49 HH11 ARG 49 -8.043 7.433 8.492 336 2HH1 ARG 49 HH12 ARG 49 -7.930 9.133 8.799 337 1HH2 ARG 49 HH21 ARG 49 -5.275 8.851 11.054 338 2HH2 ARG 49 HH22 ARG 49 -6.359 9.939 10.253 339 H SER 50 HN SER 50 -6.551 2.720 3.830 340 HA SER 50 HA SER 50 -9.177 3.313 2.826 341 1HB SER 50 HB2 SER 50 -6.831 3.174 1.591 342 2HB SER 50 HB1 SER 50 -7.357 1.508 1.375 343 HG SER 50 HG SER 50 -8.075 3.577 -0.048 344 HA PRO 51 HA PRO 51 -10.970 -0.622 3.696 345 1HB PRO 51 HB2 PRO 51 -12.716 -0.796 1.539 346 2HB PRO 51 HB1 PRO 51 -13.023 0.070 3.042 347 1HG PRO 51 HG2 PRO 51 -12.583 1.149 0.411 348 2HG PRO 51 HG1 PRO 51 -12.978 2.011 1.905 349 1HD PRO 51 HD2 PRO 51 -10.416 1.732 0.550 350 2HD PRO 51 HD1 PRO 51 -10.877 2.841 1.854 351 H HIS 52 HN HIS 52 -10.185 -0.192 0.278 352 HA HIS 52 HA HIS 52 -9.918 -3.014 -0.193 353 1HB HIS 52 HB2 HIS 52 -8.852 -1.099 -2.185 354 2HB HIS 52 HB1 HIS 52 -9.901 -2.494 -2.413 355 HD1 HIS 52 HD1 HIS 52 -10.266 0.564 -3.492 356 HD2 HIS 52 HD2 HIS 52 -12.355 -1.321 -0.437 357 HE1 HIS 52 HE1 HIS 52 -12.429 1.830 -3.264 358 HE2 HIS 52 HE2 HIS 52 -13.661 0.690 -1.396 359 H ALA 53 HN ALA 53 -7.818 -0.425 0.689 360 HA ALA 53 HA ALA 53 -5.380 -1.302 -0.254 361 1HB ALA 53 HB1 ALA 53 -4.388 -0.058 1.661 362 2HB ALA 53 HB2 ALA 53 -6.023 0.174 2.281 363 3HB ALA 53 HB3 ALA 53 -5.564 0.865 0.725 364 H ARG 54 HN ARG 54 -6.914 -2.026 2.823 365 HA ARG 54 HA ARG 54 -4.959 -3.658 3.903 366 1HB ARG 54 HB2 ARG 54 -7.938 -3.936 4.298 367 2HB ARG 54 HB1 ARG 54 -6.685 -4.530 5.379 368 1HG ARG 54 HG2 ARG 54 -5.988 -2.237 5.838 369 2HG ARG 54 HG1 ARG 54 -7.239 -1.638 4.748 370 1HD ARG 54 HD2 ARG 54 -8.156 -3.483 6.852 371 2HD ARG 54 HD1 ARG 54 -7.558 -1.923 7.417 372 HE ARG 54 HE ARG 54 -9.243 -1.234 5.427 373 1HH1 ARG 54 HH11 ARG 54 -9.595 -3.302 8.216 374 2HH1 ARG 54 HH12 ARG 54 -11.291 -2.995 8.385 375 1HH2 ARG 54 HH21 ARG 54 -11.472 -0.827 5.649 376 2HH2 ARG 54 HH22 ARG 54 -12.357 -1.591 6.928 377 H ASP 55 HN ASP 55 -7.436 -4.362 1.576 378 HA ASP 55 HA ASP 55 -7.263 -7.175 1.679 379 1HB ASP 55 HB2 ASP 55 -9.066 -5.634 0.599 380 2HB ASP 55 HB1 ASP 55 -8.011 -5.746 -0.805 381 H THR 56 HN THR 56 -5.661 -4.740 -0.229 382 HA THR 56 HA THR 56 -4.333 -6.371 -2.032 383 HB THR 56 HB THR 56 -3.053 -3.927 -0.963 384 HG1 THR 56 HG1 THR 56 -5.451 -4.058 -2.434 385 1HG2 THR 56 HG21 THR 56 -3.097 -5.367 -3.520 386 2HG2 THR 56 HG22 THR 56 -1.800 -4.453 -2.750 387 3HG2 THR 56 HG23 THR 56 -3.087 -3.606 -3.609 388 H LEU 57 HN LEU 57 -3.209 -5.094 1.082 389 HA LEU 57 HA LEU 57 -0.710 -6.265 1.107 390 1HB LEU 57 HB2 LEU 57 -2.496 -5.054 3.032 391 2HB LEU 57 HB1 LEU 57 -1.465 -6.277 3.753 392 HG LEU 57 HG LEU 57 0.211 -4.697 2.156 393 1HD1 LEU 57 HD11 LEU 57 -0.324 -2.493 3.529 394 2HD1 LEU 57 HD12 LEU 57 -1.964 -3.128 3.406 395 3HD1 LEU 57 HD13 LEU 57 -1.031 -2.810 1.944 396 1HD2 LEU 57 HD21 LEU 57 0.908 -3.866 4.524 397 2HD2 LEU 57 HD22 LEU 57 1.126 -5.560 4.088 398 3HD2 LEU 57 HD23 LEU 57 -0.249 -5.075 5.079 399 H THR 58 HN THR 58 -3.735 -7.489 2.405 400 HA THR 58 HA THR 58 -2.725 -9.911 3.368 401 HB THR 58 HB THR 58 -5.541 -9.412 2.400 402 HG1 THR 58 HG1 THR 58 -4.262 -8.702 4.814 403 1HG2 THR 58 HG21 THR 58 -4.309 -11.624 3.742 404 2HG2 THR 58 HG22 THR 58 -5.961 -11.446 3.149 405 3HG2 THR 58 HG23 THR 58 -5.540 -10.886 4.768 406 H SER 59 HN SER 59 -4.106 -8.994 0.253 407 HA SER 59 HA SER 59 -4.308 -11.459 -0.946 408 1HB SER 59 HB2 SER 59 -4.886 -9.068 -1.804 409 2HB SER 59 HB1 SER 59 -3.260 -9.147 -2.469 410 HG SER 59 HG SER 59 -3.843 -10.768 -3.786 411 H CYS 60 HN CYS 60 -1.552 -9.429 -0.404 412 HA CYS 60 HA CYS 60 0.266 -11.081 -1.894 413 1HB CYS 60 HB2 CYS 60 0.302 -8.472 -1.197 414 2HB CYS 60 HB1 CYS 60 1.280 -9.136 0.100 415 H GLY 61 HN GLY 61 -0.781 -10.687 1.425 416 1HA GLY 61 HA2 GLY 61 -0.456 -12.009 3.268 417 2HA GLY 61 HA1 GLY 61 0.140 -13.249 2.177 418 H LEU 62 HN LEU 62 1.324 -10.024 3.164 419 HA LEU 62 HA LEU 62 3.896 -11.320 3.775 420 1HB LEU 62 HB2 LEU 62 4.559 -8.690 3.615 421 2HB LEU 62 HB1 LEU 62 4.739 -9.851 2.321 422 HG LEU 62 HG LEU 62 2.151 -8.917 1.956 423 1HD1 LEU 62 HD11 LEU 62 3.766 -6.878 3.322 424 2HD1 LEU 62 HD12 LEU 62 2.017 -7.019 3.147 425 3HD1 LEU 62 HD13 LEU 62 2.982 -6.348 1.834 426 1HD2 LEU 62 HD21 LEU 62 3.105 -7.766 0.027 427 2HD2 LEU 62 HD22 LEU 62 3.801 -9.375 0.225 428 3HD2 LEU 62 HD23 LEU 62 4.719 -7.951 0.712 429 H ALA 63 HN ALA 63 2.619 -8.140 4.668 430 HA ALA 63 HA ALA 63 2.427 -8.922 7.437 431 1HB ALA 63 HB1 ALA 63 4.843 -8.009 6.647 432 2HB ALA 63 HB2 ALA 63 4.199 -7.817 8.277 433 3HB ALA 63 HB3 ALA 63 4.058 -6.500 7.113 434 H VAL 64 HN VAL 64 2.340 -6.379 8.563 435 HA VAL 64 HA VAL 64 0.258 -4.968 7.112 436 HB VAL 64 HB VAL 64 0.039 -5.652 10.005 437 1HG1 VAL 64 HG11 VAL 64 -1.015 -3.522 9.270 438 2HG1 VAL 64 HG12 VAL 64 -2.154 -4.701 9.920 439 3HG1 VAL 64 HG13 VAL 64 -2.029 -4.464 8.176 440 1HG2 VAL 64 HG21 VAL 64 -0.214 -7.596 8.416 441 2HG2 VAL 64 HG22 VAL 64 -1.648 -6.778 7.796 442 3HG2 VAL 64 HG23 VAL 64 -1.583 -7.287 9.483 443 HA PRO 65 HA PRO 65 2.653 -1.389 8.150 444 1HB PRO 65 HB2 PRO 65 0.574 0.440 8.312 445 2HB PRO 65 HB1 PRO 65 1.382 -0.047 6.820 446 1HG PRO 65 HG2 PRO 65 -1.180 -1.031 8.000 447 2HG PRO 65 HG1 PRO 65 -0.792 -0.667 6.308 448 1HD PRO 65 HD2 PRO 65 -0.862 -3.187 7.175 449 2HD PRO 65 HD1 PRO 65 0.381 -2.661 6.022 450 H HIS 66 HN HIS 66 1.790 0.757 9.685 451 HA HIS 66 HA HIS 66 1.578 1.499 11.826 452 1HB HIS 66 HB2 HIS 66 0.319 -1.156 12.519 453 2HB HIS 66 HB1 HIS 66 0.100 0.389 13.333 454 HD1 HIS 66 HD1 HIS 66 -1.759 -1.752 11.340 455 HD2 HIS 66 HD2 HIS 66 -0.992 2.322 11.126 456 HE1 HIS 66 HE1 HIS 66 -3.609 -0.788 9.940 457 HE2 HIS 66 HE2 HIS 66 -3.168 1.688 9.890 458 H CYS 67 HN CYS 67 3.991 0.408 11.062 459 HA CYS 67 HA CYS 67 5.064 -1.588 12.672 460 1HB CYS 67 HB2 CYS 67 6.254 0.779 11.263 461 2HB CYS 67 HB1 CYS 67 7.261 -0.228 12.298 Start of MODEL 9 1 1H ALA 1 HT1 ALA 1 15.171 2.087 -0.303 2 2H ALA 1 HT2 ALA 1 15.063 3.515 0.643 3 3H ALA 1 HT3 ALA 1 16.465 3.211 -0.299 4 HA ALA 1 HA ALA 1 15.177 4.824 -1.377 5 1HB ALA 1 HB1 ALA 1 16.157 2.607 -2.541 6 2HB ALA 1 HB2 ALA 1 15.399 3.926 -3.434 7 3HB ALA 1 HB3 ALA 1 14.465 2.487 -3.026 8 H CYS 2 HN CYS 2 13.321 5.750 -0.749 9 HA CYS 2 HA CYS 2 10.905 4.165 -0.450 10 1HB CYS 2 HB2 CYS 2 11.479 7.092 0.039 11 2HB CYS 2 HB1 CYS 2 9.908 6.343 0.300 12 H GLN 3 HN GLN 3 11.237 3.762 -2.908 13 HA GLN 3 HA GLN 3 10.630 5.750 -4.789 14 1HB GLN 3 HB2 GLN 3 10.598 2.776 -4.760 15 2HB GLN 3 HB1 GLN 3 9.724 3.579 -6.057 16 1HG GLN 3 HG2 GLN 3 11.681 4.631 -6.854 17 2HG GLN 3 HG1 GLN 3 12.590 4.191 -5.409 18 1HE2 GLN 3 HE21 GLN 3 13.169 3.655 -8.217 19 2HE2 GLN 3 HE22 GLN 3 13.304 1.939 -8.359 20 H ALA 4 HN ALA 4 8.860 6.982 -4.666 21 HA ALA 4 HA ALA 4 6.357 5.891 -3.734 22 1HB ALA 4 HB1 ALA 4 5.710 8.407 -4.353 23 2HB ALA 4 HB2 ALA 4 7.454 8.595 -4.170 24 3HB ALA 4 HB3 ALA 4 6.490 7.961 -2.836 25 H SER 5 HN SER 5 7.741 5.472 -6.535 26 HA SER 5 HA SER 5 5.373 6.130 -8.152 27 1HB SER 5 HB2 SER 5 8.280 5.816 -8.853 28 2HB SER 5 HB1 SER 5 7.034 5.646 -10.089 29 HG SER 5 HG SER 5 7.005 7.734 -10.163 30 H GLN 6 HN GLN 6 7.314 3.559 -6.913 31 HA GLN 6 HA GLN 6 6.521 1.563 -8.743 32 1HB GLN 6 HB2 GLN 6 7.719 1.441 -5.982 33 2HB GLN 6 HB1 GLN 6 7.365 0.002 -6.930 34 1HG GLN 6 HG2 GLN 6 8.981 2.104 -8.237 35 2HG GLN 6 HG1 GLN 6 9.743 1.196 -6.932 36 1HE2 GLN 6 HE21 GLN 6 10.910 -0.415 -7.661 37 2HE2 GLN 6 HE22 GLN 6 10.544 -1.415 -9.021 38 H LEU 7 HN LEU 7 4.870 3.158 -6.292 39 HA LEU 7 HA LEU 7 3.022 0.910 -5.888 40 1HB LEU 7 HB2 LEU 7 2.928 3.406 -4.253 41 2HB LEU 7 HB1 LEU 7 2.471 1.771 -3.814 42 HG LEU 7 HG LEU 7 5.349 2.491 -4.299 43 1HD1 LEU 7 HD11 LEU 7 4.473 2.395 -1.508 44 2HD1 LEU 7 HD12 LEU 7 3.876 3.789 -2.409 45 3HD1 LEU 7 HD13 LEU 7 5.610 3.479 -2.308 46 1HD2 LEU 7 HD21 LEU 7 5.802 0.435 -3.522 47 2HD2 LEU 7 HD22 LEU 7 4.114 0.095 -3.906 48 3HD2 LEU 7 HD23 LEU 7 4.573 0.531 -2.260 49 H ALA 8 HN ALA 8 3.336 3.978 -7.379 50 HA ALA 8 HA ALA 8 0.825 5.057 -7.318 51 1HB ALA 8 HB1 ALA 8 2.880 5.981 -8.456 52 2HB ALA 8 HB2 ALA 8 1.354 6.218 -9.307 53 3HB ALA 8 HB3 ALA 8 2.468 4.954 -9.829 54 H VAL 9 HN VAL 9 1.952 2.338 -9.174 55 HA VAL 9 HA VAL 9 -0.254 2.058 -10.871 56 HB VAL 9 HB VAL 9 1.871 0.947 -11.330 57 1HG1 VAL 9 HG11 VAL 9 1.220 -0.974 -9.108 58 2HG1 VAL 9 HG12 VAL 9 2.315 0.394 -8.911 59 3HG1 VAL 9 HG13 VAL 9 2.696 -0.880 -10.069 60 1HG2 VAL 9 HG21 VAL 9 -0.116 -1.260 -10.946 61 2HG2 VAL 9 HG22 VAL 9 0.987 -0.971 -12.292 62 3HG2 VAL 9 HG23 VAL 9 -0.437 0.049 -12.084 63 H CYS 10 HN CYS 10 0.249 1.240 -7.570 64 HA CYS 10 HA CYS 10 -1.929 -0.657 -7.415 65 1HB CYS 10 HB2 CYS 10 0.247 -0.489 -5.952 66 2HB CYS 10 HB1 CYS 10 -0.704 0.661 -5.020 67 H ALA 11 HN ALA 11 -1.344 2.715 -6.812 68 HA ALA 11 HA ALA 11 -3.362 3.527 -5.194 69 1HB ALA 11 HB1 ALA 11 -2.857 5.087 -7.688 70 2HB ALA 11 HB2 ALA 11 -1.577 4.894 -6.490 71 3HB ALA 11 HB3 ALA 11 -3.100 5.661 -6.038 72 H SER 12 HN SER 12 -3.644 2.394 -8.452 73 HA SER 12 HA SER 12 -6.134 3.324 -9.183 74 1HB SER 12 HB2 SER 12 -4.391 1.803 -10.445 75 2HB SER 12 HB1 SER 12 -5.401 0.496 -9.828 76 HG SER 12 HG SER 12 -6.866 0.996 -11.244 77 H ALA 13 HN ALA 13 -5.284 0.606 -7.120 78 HA ALA 13 HA ALA 13 -8.011 -0.234 -6.795 79 1HB ALA 13 HB1 ALA 13 -6.312 -1.928 -6.769 80 2HB ALA 13 HB2 ALA 13 -7.053 -1.848 -5.170 81 3HB ALA 13 HB3 ALA 13 -5.470 -1.121 -5.446 82 H ILE 14 HN ILE 14 -5.587 1.505 -4.906 83 HA ILE 14 HA ILE 14 -7.091 1.681 -2.517 84 HB ILE 14 HB ILE 14 -4.877 3.457 -3.559 85 1HG1 ILE 14 HG12 ILE 14 -3.688 2.196 -1.596 86 2HG1 ILE 14 HG11 ILE 14 -4.974 1.012 -1.822 87 1HG2 ILE 14 HG21 ILE 14 -5.339 4.873 -1.914 88 2HG2 ILE 14 HG22 ILE 14 -4.994 3.588 -0.757 89 3HG2 ILE 14 HG23 ILE 14 -6.642 3.838 -1.331 90 1HD1 ILE 14 HD11 ILE 14 -2.591 1.003 -3.127 91 2HD1 ILE 14 HD12 ILE 14 -3.636 1.807 -4.298 92 3HD1 ILE 14 HD13 ILE 14 -4.058 0.206 -3.694 93 H LEU 15 HN LEU 15 -6.456 4.168 -4.999 94 HA LEU 15 HA LEU 15 -8.152 6.124 -4.031 95 1HB LEU 15 HB2 LEU 15 -7.333 5.473 -6.855 96 2HB LEU 15 HB1 LEU 15 -8.259 6.903 -6.439 97 HG LEU 15 HG LEU 15 -5.506 6.263 -5.378 98 1HD1 LEU 15 HD11 LEU 15 -4.897 8.267 -6.811 99 2HD1 LEU 15 HD12 LEU 15 -6.447 8.027 -7.619 100 3HD1 LEU 15 HD13 LEU 15 -5.226 6.755 -7.659 101 1HD2 LEU 15 HD21 LEU 15 -6.692 7.590 -3.793 102 2HD2 LEU 15 HD22 LEU 15 -7.313 8.650 -5.058 103 3HD2 LEU 15 HD23 LEU 15 -5.594 8.660 -4.665 104 H SER 16 HN SER 16 -9.043 4.495 -7.050 105 HA SER 16 HA SER 16 -11.817 4.887 -6.561 106 1HB SER 16 HB2 SER 16 -11.080 4.890 -8.836 107 2HB SER 16 HB1 SER 16 -10.324 3.306 -8.659 108 HG SER 16 HG SER 16 -12.377 2.399 -8.446 109 H GLY 17 HN GLY 17 -10.402 1.747 -7.410 110 1HA GLY 17 HA2 GLY 17 -10.466 0.066 -5.479 111 2HA GLY 17 HA1 GLY 17 -12.158 0.531 -5.377 112 H ALA 18 HN ALA 18 -10.152 -0.032 -8.246 113 HA ALA 18 HA ALA 18 -12.116 -1.464 -9.624 114 1HB ALA 18 HB1 ALA 18 -10.463 -0.536 -10.965 115 2HB ALA 18 HB2 ALA 18 -10.101 -2.261 -11.011 116 3HB ALA 18 HB3 ALA 18 -9.160 -1.190 -9.973 117 H LYS 19 HN LYS 19 -9.041 -2.923 -8.772 118 HA LYS 19 HA LYS 19 -10.050 -4.977 -7.142 119 1HB LYS 19 HB2 LYS 19 -9.661 -6.862 -8.830 120 2HB LYS 19 HB1 LYS 19 -11.149 -5.939 -8.983 121 1HG LYS 19 HG2 LYS 19 -10.524 -5.962 -11.158 122 2HG LYS 19 HG1 LYS 19 -9.652 -4.516 -10.647 123 1HD LYS 19 HD2 LYS 19 -7.804 -6.363 -10.065 124 2HD LYS 19 HD1 LYS 19 -8.632 -7.197 -11.381 125 1HE LYS 19 HE2 LYS 19 -7.426 -4.435 -11.489 126 2HE LYS 19 HE1 LYS 19 -6.766 -5.891 -12.232 127 1HZ LYS 19 HZ1 LYS 19 -9.070 -5.954 -13.394 128 2HZ LYS 19 HZ2 LYS 19 -7.863 -4.924 -13.980 129 3HZ LYS 19 HZ3 LYS 19 -9.110 -4.304 -13.020 130 HA PRO 20 HA PRO 20 -5.760 -5.210 -6.119 131 1HB PRO 20 HB2 PRO 20 -6.297 -8.120 -5.757 132 2HB PRO 20 HB1 PRO 20 -5.548 -6.967 -4.646 133 1HG PRO 20 HG2 PRO 20 -8.050 -7.788 -4.263 134 2HG PRO 20 HG1 PRO 20 -7.589 -6.102 -3.960 135 1HD PRO 20 HD2 PRO 20 -9.108 -7.272 -6.246 136 2HD PRO 20 HD1 PRO 20 -9.302 -5.699 -5.446 137 H SER 21 HN SER 21 -3.834 -6.790 -6.579 138 HA SER 21 HA SER 21 -3.876 -8.411 -8.878 139 1HB SER 21 HB2 SER 21 -4.096 -5.831 -9.645 140 2HB SER 21 HB1 SER 21 -2.340 -5.973 -9.570 141 HG SER 21 HG SER 21 -3.631 -6.605 -11.594 142 H GLY 22 HN GLY 22 -2.005 -9.562 -9.072 143 1HA GLY 22 HA2 GLY 22 -0.216 -9.641 -6.930 144 2HA GLY 22 HA1 GLY 22 0.056 -10.389 -8.496 145 H GLU 23 HN GLU 23 -0.159 -7.681 -9.800 146 HA GLU 23 HA GLU 23 2.524 -7.094 -10.044 147 1HB GLU 23 HB2 GLU 23 0.417 -6.387 -11.431 148 2HB GLU 23 HB1 GLU 23 0.442 -4.968 -10.383 149 1HG GLU 23 HG2 GLU 23 3.027 -5.635 -11.531 150 2HG GLU 23 HG1 GLU 23 1.793 -5.246 -12.724 151 H CYS 24 HN CYS 24 0.063 -5.462 -8.065 152 HA CYS 24 HA CYS 24 1.670 -3.479 -6.996 153 1HB CYS 24 HB2 CYS 24 -0.754 -3.442 -6.761 154 2HB CYS 24 HB1 CYS 24 -0.693 -4.872 -5.736 155 H CYS 25 HN CYS 25 1.233 -6.795 -6.033 156 HA CYS 25 HA CYS 25 2.554 -6.666 -3.543 157 1HB CYS 25 HB2 CYS 25 2.056 -8.945 -5.455 158 2HB CYS 25 HB1 CYS 25 2.861 -9.168 -3.907 159 H GLY 26 HN GLY 26 3.698 -7.319 -6.821 160 1HA GLY 26 HA2 GLY 26 6.329 -8.061 -6.145 161 2HA GLY 26 HA1 GLY 26 5.812 -7.435 -7.703 162 H ASN 27 HN ASN 27 4.943 -4.886 -6.919 163 HA ASN 27 HA ASN 27 7.368 -3.498 -6.900 164 1HB ASN 27 HB2 ASN 27 4.618 -2.418 -6.302 165 2HB ASN 27 HB1 ASN 27 6.025 -1.471 -6.775 166 1HD2 ASN 27 HD21 ASN 27 6.849 -1.719 -8.905 167 2HD2 ASN 27 HD22 ASN 27 5.822 -2.260 -10.185 168 H LEU 28 HN LEU 28 4.818 -3.495 -4.463 169 HA LEU 28 HA LEU 28 6.158 -2.139 -2.484 170 1HB LEU 28 HB2 LEU 28 4.661 -3.174 -0.874 171 2HB LEU 28 HB1 LEU 28 3.795 -2.677 -2.315 172 HG LEU 28 HG LEU 28 4.214 -5.172 -3.032 173 1HD1 LEU 28 HD11 LEU 28 5.536 -5.960 -1.261 174 2HD1 LEU 28 HD12 LEU 28 3.927 -6.613 -0.961 175 3HD1 LEU 28 HD13 LEU 28 4.497 -5.217 -0.046 176 1HD2 LEU 28 HD21 LEU 28 2.106 -3.817 -1.531 177 2HD2 LEU 28 HD22 LEU 28 2.075 -5.573 -1.372 178 3HD2 LEU 28 HD23 LEU 28 2.001 -4.831 -2.969 179 H ARG 29 HN ARG 29 6.597 -5.368 -3.587 180 HA ARG 29 HA ARG 29 7.838 -6.520 -1.411 181 1HB ARG 29 HB2 ARG 29 7.244 -7.256 -4.024 182 2HB ARG 29 HB1 ARG 29 8.996 -7.373 -3.923 183 1HG ARG 29 HG2 ARG 29 8.883 -9.240 -2.743 184 2HG ARG 29 HG1 ARG 29 7.743 -8.520 -1.606 185 1HD ARG 29 HD2 ARG 29 6.216 -8.918 -3.860 186 2HD ARG 29 HD1 ARG 29 7.269 -10.334 -3.829 187 HE ARG 29 HE ARG 29 5.999 -9.684 -1.317 188 1HH1 ARG 29 HH11 ARG 29 5.786 -11.505 -4.291 189 2HH1 ARG 29 HH12 ARG 29 4.721 -12.699 -3.631 190 1HH2 ARG 29 HH21 ARG 29 4.602 -11.260 -0.450 191 2HH2 ARG 29 HH22 ARG 29 4.046 -12.559 -1.451 192 H ALA 30 HN ALA 30 9.321 -5.016 -4.224 193 HA ALA 30 HA ALA 30 11.958 -5.178 -3.477 194 1HB ALA 30 HB1 ALA 30 11.143 -2.612 -4.696 195 2HB ALA 30 HB2 ALA 30 10.708 -4.079 -5.574 196 3HB ALA 30 HB3 ALA 30 12.397 -3.752 -5.185 197 H GLN 31 HN GLN 31 9.437 -3.222 -2.195 198 HA GLN 31 HA GLN 31 11.196 -1.412 -0.787 199 1HB GLN 31 HB2 GLN 31 8.277 -1.717 -0.176 200 2HB GLN 31 HB1 GLN 31 9.283 -0.278 -0.089 201 1HG GLN 31 HG2 GLN 31 9.444 -0.785 -2.714 202 2HG GLN 31 HG1 GLN 31 7.847 -1.446 -2.371 203 1HE2 GLN 31 HE21 GLN 31 9.702 1.348 -2.847 204 2HE2 GLN 31 HE22 GLN 31 8.460 2.515 -2.530 205 H GLN 32 HN GLN 32 8.586 -3.486 0.460 206 HA GLN 32 HA GLN 32 8.347 -4.537 2.467 207 1HB GLN 32 HB2 GLN 32 10.255 -5.775 1.002 208 2HB GLN 32 HB1 GLN 32 11.143 -5.455 2.484 209 1HG GLN 32 HG2 GLN 32 10.097 -7.085 3.563 210 2HG GLN 32 HG1 GLN 32 8.516 -6.504 3.040 211 1HE2 GLN 32 HE21 GLN 32 7.765 -7.166 0.936 212 2HE2 GLN 32 HE22 GLN 32 8.264 -8.688 0.291 213 H GLY 33 HN GLY 33 9.613 -1.780 2.460 214 1HA GLY 33 HA2 GLY 33 10.402 -1.839 5.277 215 2HA GLY 33 HA1 GLY 33 11.514 -1.104 4.130 216 H CYS 34 HN CYS 34 10.756 0.751 2.906 217 HA CYS 34 HA CYS 34 9.528 2.671 4.482 218 1HB CYS 34 HB2 CYS 34 11.039 2.901 2.375 219 2HB CYS 34 HB1 CYS 34 9.497 2.898 1.539 220 H PHE 35 HN PHE 35 8.268 0.571 2.024 221 HA PHE 35 HA PHE 35 5.754 1.629 1.602 222 1HB PHE 35 HB2 PHE 35 5.895 -0.166 0.237 223 2HB PHE 35 HB1 PHE 35 7.070 -0.943 1.283 224 HD1 PHE 35 HD1 PHE 35 3.474 -0.113 1.912 225 HD2 PHE 35 HD2 PHE 35 6.440 -3.129 1.434 226 HE1 PHE 35 HE1 PHE 35 1.823 -1.833 2.517 227 HE2 PHE 35 HE2 PHE 35 4.801 -4.849 2.044 228 HZ PHE 35 HZ PHE 35 2.484 -4.204 2.587 229 H CYS 36 HN CYS 36 6.924 -0.400 4.175 230 HA CYS 36 HA CYS 36 4.403 -0.539 5.551 231 1HB CYS 36 HB2 CYS 36 6.464 -2.162 5.680 232 2HB CYS 36 HB1 CYS 36 7.037 -1.031 6.901 233 H GLN 37 HN GLN 37 7.259 1.473 5.615 234 HA GLN 37 HA GLN 37 6.828 2.803 8.026 235 1HB GLN 37 HB2 GLN 37 8.207 3.741 5.513 236 2HB GLN 37 HB1 GLN 37 8.269 4.594 7.047 237 1HG GLN 37 HG2 GLN 37 9.203 2.400 7.995 238 2HG GLN 37 HG1 GLN 37 9.483 1.961 6.312 239 1HE2 GLN 37 HE21 GLN 37 10.594 3.796 5.030 240 2HE2 GLN 37 HE22 GLN 37 11.946 4.529 5.814 241 H TYR 38 HN TYR 38 5.527 3.260 4.839 242 HA TYR 38 HA TYR 38 4.495 5.843 5.095 243 1HB TYR 38 HB2 TYR 38 3.851 3.484 3.389 244 2HB TYR 38 HB1 TYR 38 2.701 4.817 3.427 245 HD1 TYR 38 HD1 TYR 38 3.645 7.178 2.943 246 HD2 TYR 38 HD2 TYR 38 5.690 3.578 1.964 247 HE1 TYR 38 HE1 TYR 38 5.006 8.404 1.302 248 HE2 TYR 38 HE2 TYR 38 7.057 4.794 0.321 249 HH TYR 38 HH TYR 38 7.797 7.343 0.067 250 H ALA 39 HN ALA 39 3.491 2.915 6.581 251 HA ALA 39 HA ALA 39 0.792 3.229 6.942 252 1HB ALA 39 HB1 ALA 39 1.231 2.077 9.202 253 2HB ALA 39 HB2 ALA 39 2.914 2.037 8.676 254 3HB ALA 39 HB3 ALA 39 1.671 1.229 7.720 255 H LYS 40 HN LYS 40 3.355 5.076 8.326 256 HA LYS 40 HA LYS 40 1.455 6.430 10.115 257 1HB LYS 40 HB2 LYS 40 4.258 5.666 10.387 258 2HB LYS 40 HB1 LYS 40 3.973 7.352 10.797 259 1HG LYS 40 HG2 LYS 40 3.782 6.101 12.796 260 2HG LYS 40 HG1 LYS 40 2.148 6.576 12.328 261 1HD LYS 40 HD2 LYS 40 1.860 4.349 12.878 262 2HD LYS 40 HD1 LYS 40 2.109 4.263 11.133 263 1HE LYS 40 HE2 LYS 40 4.017 3.116 11.354 264 2HE LYS 40 HE1 LYS 40 4.594 4.158 12.654 265 1HZ LYS 40 HZ1 LYS 40 4.304 2.280 13.843 266 2HZ LYS 40 HZ2 LYS 40 3.136 1.644 12.798 267 3HZ LYS 40 HZ3 LYS 40 2.703 2.820 13.934 268 H ASP 41 HN ASP 41 3.460 6.808 7.353 269 HA ASP 41 HA ASP 41 3.903 9.566 7.361 270 1HB ASP 41 HB2 ASP 41 4.930 7.878 5.798 271 2HB ASP 41 HB1 ASP 41 3.403 7.866 4.912 272 HA PRO 42 HA PRO 42 -0.409 10.745 6.796 273 1HB PRO 42 HB2 PRO 42 -0.131 13.343 7.391 274 2HB PRO 42 HB1 PRO 42 -0.064 12.094 8.641 275 1HG PRO 42 HG2 PRO 42 2.177 13.556 7.300 276 2HG PRO 42 HG1 PRO 42 1.976 13.142 9.012 277 1HD PRO 42 HD2 PRO 42 3.535 11.715 7.259 278 2HD PRO 42 HD1 PRO 42 2.799 11.027 8.719 279 H THR 43 HN THR 43 2.183 11.291 4.810 280 HA THR 43 HA THR 43 1.573 13.466 3.232 281 HB THR 43 HB THR 43 2.667 12.197 1.363 282 HG1 THR 43 HG1 THR 43 2.539 10.129 3.280 283 1HG2 THR 43 HG21 THR 43 3.880 12.637 4.002 284 2HG2 THR 43 HG22 THR 43 4.372 13.208 2.408 285 3HG2 THR 43 HG23 THR 43 4.761 11.565 2.915 286 H TYR 44 HN TYR 44 0.211 10.207 3.088 287 HA TYR 44 HA TYR 44 -1.689 11.129 1.042 288 1HB TYR 44 HB2 TYR 44 -1.061 8.297 1.902 289 2HB TYR 44 HB1 TYR 44 -2.103 8.773 0.565 290 HD1 TYR 44 HD1 TYR 44 -1.191 9.360 -1.558 291 HD2 TYR 44 HD2 TYR 44 1.391 8.678 1.754 292 HE1 TYR 44 HE1 TYR 44 0.741 9.330 -3.078 293 HE2 TYR 44 HE2 TYR 44 3.331 8.646 0.243 294 HH TYR 44 HH TYR 44 3.592 8.078 -2.405 295 H GLY 45 HN GLY 45 -1.701 8.902 3.836 296 1HA GLY 45 HA2 GLY 45 -3.165 8.818 5.630 297 2HA GLY 45 HA1 GLY 45 -3.966 10.249 5.000 298 H GLN 46 HN GLN 46 -5.040 9.676 2.718 299 HA GLN 46 HA GLN 46 -7.136 7.870 3.339 300 1HB GLN 46 HB2 GLN 46 -7.186 9.994 1.862 301 2HB GLN 46 HB1 GLN 46 -6.604 8.937 0.583 302 1HG GLN 46 HG2 GLN 46 -8.585 7.896 0.351 303 2HG GLN 46 HG1 GLN 46 -8.952 7.973 2.074 304 1HE2 GLN 46 HE21 GLN 46 -10.247 8.795 -0.646 305 2HE2 GLN 46 HE22 GLN 46 -10.926 10.350 -0.277 306 H TYR 47 HN TYR 47 -4.095 7.513 1.785 307 HA TYR 47 HA TYR 47 -4.754 5.247 0.187 308 1HB TYR 47 HB2 TYR 47 -2.745 6.914 0.009 309 2HB TYR 47 HB1 TYR 47 -2.001 5.779 1.128 310 HD1 TYR 47 HD1 TYR 47 -1.537 3.459 0.445 311 HD2 TYR 47 HD2 TYR 47 -3.062 6.339 -2.289 312 HE1 TYR 47 HE1 TYR 47 -0.877 2.015 -1.434 313 HE2 TYR 47 HE2 TYR 47 -2.409 4.903 -4.175 314 HH TYR 47 HH TYR 47 -0.353 2.221 -3.818 315 H ILE 48 HN ILE 48 -3.036 5.667 3.258 316 HA ILE 48 HA ILE 48 -2.660 2.905 3.728 317 HB ILE 48 HB ILE 48 -2.682 5.158 5.738 318 1HG1 ILE 48 HG12 ILE 48 -1.077 5.470 3.859 319 2HG1 ILE 48 HG11 ILE 48 -0.285 5.268 5.418 320 1HG2 ILE 48 HG21 ILE 48 -1.442 2.413 5.906 321 2HG2 ILE 48 HG22 ILE 48 -2.897 2.937 6.755 322 3HG2 ILE 48 HG23 ILE 48 -1.341 3.680 7.129 323 1HD1 ILE 48 HD11 ILE 48 -0.526 3.255 3.203 324 2HD1 ILE 48 HD12 ILE 48 0.043 2.856 4.824 325 3HD1 ILE 48 HD13 ILE 48 0.938 4.009 3.834 326 H ARG 49 HN ARG 49 -4.952 5.238 5.164 327 HA ARG 49 HA ARG 49 -6.399 3.123 6.470 328 1HB ARG 49 HB2 ARG 49 -7.309 5.978 6.187 329 2HB ARG 49 HB1 ARG 49 -7.750 4.821 7.435 330 1HG ARG 49 HG2 ARG 49 -5.352 4.851 8.173 331 2HG ARG 49 HG1 ARG 49 -5.104 6.196 7.057 332 1HD ARG 49 HD2 ARG 49 -6.909 7.430 8.235 333 2HD ARG 49 HD1 ARG 49 -6.998 6.112 9.402 334 HE ARG 49 HE ARG 49 -4.357 7.184 9.141 335 1HH1 ARG 49 HH11 ARG 49 -7.452 7.636 10.685 336 2HH1 ARG 49 HH12 ARG 49 -6.797 8.516 12.025 337 1HH2 ARG 49 HH21 ARG 49 -3.491 8.342 10.903 338 2HH2 ARG 49 HH22 ARG 49 -4.548 8.918 12.149 339 H SER 50 HN SER 50 -6.268 2.997 3.580 340 HA SER 50 HA SER 50 -8.880 3.663 2.589 341 1HB SER 50 HB2 SER 50 -6.553 3.464 1.337 342 2HB SER 50 HB1 SER 50 -7.109 1.806 1.137 343 HG SER 50 HG SER 50 -8.360 4.179 0.259 344 HA PRO 51 HA PRO 51 -10.888 -0.102 3.732 345 1HB PRO 51 HB2 PRO 51 -12.816 -0.242 1.834 346 2HB PRO 51 HB1 PRO 51 -12.864 0.929 3.157 347 1HG PRO 51 HG2 PRO 51 -11.985 1.310 0.321 348 2HG PRO 51 HG1 PRO 51 -12.984 2.369 1.334 349 1HD PRO 51 HD2 PRO 51 -10.343 2.816 0.905 350 2HD PRO 51 HD1 PRO 51 -11.159 3.267 2.415 351 H HIS 52 HN HIS 52 -10.193 0.273 0.267 352 HA HIS 52 HA HIS 52 -10.165 -2.570 -0.182 353 1HB HIS 52 HB2 HIS 52 -9.014 -0.621 -2.138 354 2HB HIS 52 HB1 HIS 52 -9.937 -2.089 -2.438 355 HD1 HIS 52 HD1 HIS 52 -12.571 -1.899 -1.976 356 HD2 HIS 52 HD2 HIS 52 -10.480 1.689 -2.122 357 HE1 HIS 52 HE1 HIS 52 -14.317 -0.115 -2.279 358 HE2 HIS 52 HE2 HIS 52 -13.022 2.040 -2.440 359 H ALA 53 HN ALA 53 -7.881 -0.230 0.825 360 HA ALA 53 HA ALA 53 -5.516 -1.258 -0.187 361 1HB ALA 53 HB1 ALA 53 -4.488 -0.201 1.895 362 2HB ALA 53 HB2 ALA 53 -6.132 0.300 2.291 363 3HB ALA 53 HB3 ALA 53 -5.376 0.855 0.797 364 H ARG 54 HN ARG 54 -6.972 -1.837 2.965 365 HA ARG 54 HA ARG 54 -5.169 -3.730 3.871 366 1HB ARG 54 HB2 ARG 54 -7.505 -2.565 4.831 367 2HB ARG 54 HB1 ARG 54 -7.864 -4.286 4.787 368 1HG ARG 54 HG2 ARG 54 -6.228 -4.804 6.332 369 2HG ARG 54 HG1 ARG 54 -5.320 -3.323 6.019 370 1HD ARG 54 HD2 ARG 54 -6.621 -3.465 8.213 371 2HD ARG 54 HD1 ARG 54 -6.819 -2.008 7.242 372 HE ARG 54 HE ARG 54 -9.006 -2.607 6.810 373 1HH1 ARG 54 HH11 ARG 54 -7.360 -5.222 8.441 374 2HH1 ARG 54 HH12 ARG 54 -8.818 -6.092 8.779 375 1HH2 ARG 54 HH21 ARG 54 -10.921 -3.755 7.254 376 2HH2 ARG 54 HH22 ARG 54 -10.838 -5.262 8.105 377 H ASP 55 HN ASP 55 -7.942 -4.064 1.803 378 HA ASP 55 HA ASP 55 -8.129 -6.872 1.875 379 1HB ASP 55 HB2 ASP 55 -9.806 -5.098 0.966 380 2HB ASP 55 HB1 ASP 55 -8.905 -5.327 -0.528 381 H THR 56 HN THR 56 -6.601 -4.685 -0.405 382 HA THR 56 HA THR 56 -5.565 -6.594 -2.131 383 HB THR 56 HB THR 56 -4.090 -4.091 -1.567 384 HG1 THR 56 HG1 THR 56 -5.623 -2.910 -2.662 385 1HG2 THR 56 HG21 THR 56 -3.911 -5.934 -3.589 386 2HG2 THR 56 HG22 THR 56 -3.274 -4.289 -3.618 387 3HG2 THR 56 HG23 THR 56 -4.865 -4.631 -4.298 388 H LEU 57 HN LEU 57 -4.092 -5.019 0.675 389 HA LEU 57 HA LEU 57 -1.644 -6.338 0.542 390 1HB LEU 57 HB2 LEU 57 -3.044 -4.641 2.416 391 2HB LEU 57 HB1 LEU 57 -2.019 -5.819 3.218 392 HG LEU 57 HG LEU 57 -0.528 -4.656 1.104 393 1HD1 LEU 57 HD11 LEU 57 -1.618 -2.669 0.950 394 2HD1 LEU 57 HD12 LEU 57 -0.558 -2.300 2.310 395 3HD1 LEU 57 HD13 LEU 57 -2.237 -2.755 2.599 396 1HD2 LEU 57 HD21 LEU 57 0.772 -5.364 2.824 397 2HD2 LEU 57 HD22 LEU 57 -0.400 -4.883 4.051 398 3HD2 LEU 57 HD23 LEU 57 0.626 -3.669 3.287 399 H THR 58 HN THR 58 -4.542 -7.025 2.397 400 HA THR 58 HA THR 58 -3.594 -9.301 3.703 401 HB THR 58 HB THR 58 -6.430 -8.573 2.950 402 HG1 THR 58 HG1 THR 58 -5.168 -7.133 4.362 403 1HG2 THR 58 HG21 THR 58 -7.196 -10.377 3.969 404 2HG2 THR 58 HG22 THR 58 -6.189 -10.068 5.383 405 3HG2 THR 58 HG23 THR 58 -5.543 -10.989 4.024 406 H SER 59 HN SER 59 -5.296 -8.914 0.621 407 HA SER 59 HA SER 59 -5.747 -11.542 -0.023 408 1HB SER 59 HB2 SER 59 -6.291 -9.348 -1.306 409 2HB SER 59 HB1 SER 59 -4.742 -9.658 -2.078 410 HG SER 59 HG SER 59 -5.886 -10.891 -3.342 411 H CYS 60 HN CYS 60 -2.848 -9.650 -0.212 412 HA CYS 60 HA CYS 60 -1.281 -11.719 -1.449 413 1HB CYS 60 HB2 CYS 60 -1.066 -9.023 -1.364 414 2HB CYS 60 HB1 CYS 60 0.045 -9.463 -0.074 415 H GLY 61 HN GLY 61 -1.752 -10.349 1.782 416 1HA GLY 61 HA2 GLY 61 -1.172 -11.121 3.858 417 2HA GLY 61 HA1 GLY 61 -1.130 -12.720 3.131 418 H LEU 62 HN LEU 62 0.881 -9.813 2.675 419 HA LEU 62 HA LEU 62 3.212 -11.500 3.301 420 1HB LEU 62 HB2 LEU 62 4.485 -9.768 1.911 421 2HB LEU 62 HB1 LEU 62 3.502 -10.953 1.075 422 HG LEU 62 HG LEU 62 1.682 -9.140 1.012 423 1HD1 LEU 62 HD11 LEU 62 2.115 -7.214 2.032 424 2HD1 LEU 62 HD12 LEU 62 3.420 -6.932 0.882 425 3HD1 LEU 62 HD13 LEU 62 3.755 -7.738 2.412 426 1HD2 LEU 62 HD21 LEU 62 2.488 -8.332 -1.053 427 2HD2 LEU 62 HD22 LEU 62 3.156 -9.954 -0.877 428 3HD2 LEU 62 HD23 LEU 62 4.170 -8.545 -0.569 429 H ALA 63 HN ALA 63 1.839 -8.257 3.657 430 HA ALA 63 HA ALA 63 3.282 -7.964 6.137 431 1HB ALA 63 HB1 ALA 63 4.697 -7.054 4.193 432 2HB ALA 63 HB2 ALA 63 4.482 -6.042 5.622 433 3HB ALA 63 HB3 ALA 63 3.535 -5.727 4.167 434 H VAL 64 HN VAL 64 2.720 -5.708 7.110 435 HA VAL 64 HA VAL 64 0.063 -4.816 6.410 436 HB VAL 64 HB VAL 64 0.378 -6.717 8.388 437 1HG1 VAL 64 HG11 VAL 64 1.400 -4.955 9.832 438 2HG1 VAL 64 HG12 VAL 64 -0.042 -5.712 10.509 439 3HG1 VAL 64 HG13 VAL 64 -0.145 -4.105 9.791 440 1HG2 VAL 64 HG21 VAL 64 -1.883 -6.661 8.464 441 2HG2 VAL 64 HG22 VAL 64 -1.664 -5.622 7.056 442 3HG2 VAL 64 HG23 VAL 64 -1.945 -4.908 8.644 443 HA PRO 65 HA PRO 65 1.818 -0.913 7.582 444 1HB PRO 65 HB2 PRO 65 -0.372 0.582 7.867 445 2HB PRO 65 HB1 PRO 65 0.044 -0.107 6.288 446 1HG PRO 65 HG2 PRO 65 -1.807 -1.228 8.383 447 2HG PRO 65 HG1 PRO 65 -2.171 -0.893 6.673 448 1HD PRO 65 HD2 PRO 65 -1.494 -3.348 7.468 449 2HD PRO 65 HD1 PRO 65 -0.877 -2.696 5.932 450 H HIS 66 HN HIS 66 1.376 -2.842 9.743 451 HA HIS 66 HA HIS 66 1.072 -0.935 11.955 452 1HB HIS 66 HB2 HIS 66 0.177 -3.824 12.036 453 2HB HIS 66 HB1 HIS 66 -0.016 -2.623 13.308 454 HD1 HIS 66 HD1 HIS 66 -1.561 -0.487 12.526 455 HD2 HIS 66 HD2 HIS 66 -2.004 -4.056 10.453 456 HE1 HIS 66 HE1 HIS 66 -3.781 -0.330 11.377 457 HE2 HIS 66 HE2 HIS 66 -3.986 -2.451 10.043 458 H CYS 67 HN CYS 67 3.442 -1.884 10.528 459 HA CYS 67 HA CYS 67 4.772 -3.708 12.337 460 1HB CYS 67 HB2 CYS 67 6.711 -3.407 10.832 461 2HB CYS 67 HB1 CYS 67 5.255 -3.868 9.958
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