NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
473269 | 2k3v | 15765 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 14.673 -13.584 8.301 2 HA ALA 1 HA ALA 1 15.184 -11.385 7.477 3 HB1 ALA 1 HB1 ALA 1 16.927 -13.114 7.297 4 HB2 ALA 1 HB2 ALA 1 16.279 -13.617 5.717 5 HB3 ALA 1 HB3 ALA 1 17.001 -12.001 5.910 6 H ASP 2 H ASP 2 12.807 -10.897 6.778 7 HA ASP 2 HA ASP 2 12.528 -11.120 3.911 8 HB2 ASP 2 HB2 ASP 2 10.701 -11.442 5.890 9 HB3 ASP 2 HB3 ASP 2 10.498 -9.719 5.639 10 HD2 ASP 2 HD2 ASP 2 9.345 -12.642 3.418 11 H GLU 3 H GLU 3 12.302 -9.197 2.566 12 HA GLU 3 HA GLU 3 13.422 -6.844 3.829 13 HB2 GLU 3 HB2 GLU 3 13.901 -6.090 1.526 14 HB3 GLU 3 HB3 GLU 3 14.550 -7.694 1.805 15 HG2 GLU 3 HG2 GLU 3 11.858 -8.043 0.871 16 HG3 GLU 3 HG3 GLU 3 12.602 -6.847 -0.172 17 HE2 GLU 3 HE2 GLU 3 14.613 -7.673 -1.335 18 H THR 4 H THR 4 12.404 -4.777 3.739 19 HA THR 4 HA THR 4 9.617 -4.793 3.898 20 HB THR 4 HB THR 4 9.968 -2.286 3.935 21 HG1 THR 4 HG1 THR 4 12.124 -1.601 3.416 22 HG21 THR 4 HG21 THR 4 11.448 -4.227 5.615 23 HG22 THR 4 HG22 THR 4 12.247 -2.638 5.528 24 HG23 THR 4 HG23 THR 4 10.566 -2.759 6.102 25 H LEU 5 H LEU 5 8.071 -3.519 2.562 26 HA LEU 5 HA LEU 5 8.177 -4.469 -0.086 27 HB2 LEU 5 HB2 LEU 5 6.203 -3.816 1.546 28 HB3 LEU 5 HB3 LEU 5 6.349 -2.262 0.749 29 HG LEU 5 HG LEU 5 6.304 -3.989 -1.395 30 HD11 LEU 5 HD11 LEU 5 4.802 -5.726 -1.106 31 HD12 LEU 5 HD12 LEU 5 5.743 -5.780 0.404 32 HD13 LEU 5 HD13 LEU 5 4.126 -5.037 0.390 33 HD21 LEU 5 HD21 LEU 5 5.102 -1.891 -1.256 34 HD22 LEU 5 HD22 LEU 5 3.988 -3.200 -1.720 35 HD23 LEU 5 HD23 LEU 5 3.983 -2.577 -0.052 36 H ALA 6 H ALA 6 8.825 -1.280 1.458 37 HA ALA 6 HA ALA 6 9.098 0.187 -0.884 38 HB1 ALA 6 HB1 ALA 6 10.533 1.666 0.614 39 HB2 ALA 6 HB2 ALA 6 8.908 1.289 1.238 40 HB3 ALA 6 HB3 ALA 6 10.330 0.434 1.883 41 H GLU 7 H GLU 7 11.212 -2.177 0.701 42 HA GLU 7 HA GLU 7 13.529 -1.355 -0.690 43 HB2 GLU 7 HB2 GLU 7 13.410 -2.654 1.523 44 HB3 GLU 7 HB3 GLU 7 13.009 -4.074 0.578 45 HG2 GLU 7 HG2 GLU 7 15.132 -3.790 -0.732 46 HG3 GLU 7 HG3 GLU 7 15.536 -2.388 0.240 47 HE2 GLU 7 HE2 GLU 7 17.404 -4.814 1.672 48 H PHE 8 H PHE 8 11.339 -4.251 -0.972 49 HA PHE 8 HA PHE 8 12.446 -5.448 -3.120 50 HB2 PHE 8 HB2 PHE 8 10.471 -6.271 -1.856 51 HB3 PHE 8 HB3 PHE 8 9.522 -4.886 -2.360 52 HD1 PHE 8 HD1 PHE 8 11.314 -7.837 -3.760 53 HD2 PHE 8 HD2 PHE 8 8.137 -5.060 -4.217 54 HE1 PHE 8 HE1 PHE 8 10.457 -9.140 -5.727 55 HE2 PHE 8 HE2 PHE 8 7.281 -6.363 -6.184 56 HZ PHE 8 HZ PHE 8 8.451 -8.387 -6.916 57 H HIS 9 H HIS 9 10.354 -2.525 -3.093 58 HA HIS 9 HA HIS 9 10.112 -2.476 -5.923 59 HB2 HIS 9 HB2 HIS 9 9.386 -0.641 -3.660 60 HB3 HIS 9 HB3 HIS 9 9.366 -0.027 -5.301 61 HD1 HIS 9 HD1 HIS 9 7.641 -2.530 -3.050 62 HD2 HIS 9 HD2 HIS 9 7.252 -0.937 -6.911 63 HE1 HIS 9 HE1 HIS 9 5.359 -3.284 -3.907 64 H VAL 10 H VAL 10 12.274 -1.018 -3.463 65 HA VAL 10 HA VAL 10 13.500 0.869 -5.074 66 HB VAL 10 HB VAL 10 14.238 -0.687 -2.630 67 HG11 VAL 10 HG11 VAL 10 16.343 0.782 -2.531 68 HG12 VAL 10 HG12 VAL 10 16.379 -0.632 -3.611 69 HG13 VAL 10 HG13 VAL 10 16.128 0.996 -4.285 70 HG21 VAL 10 HG21 VAL 10 13.444 1.122 -1.594 71 HG22 VAL 10 HG22 VAL 10 14.553 2.183 -2.497 72 HG23 VAL 10 HG23 VAL 10 12.962 1.769 -3.181 73 H GLU 11 H GLU 11 14.528 -2.547 -4.368 74 HA GLU 11 HA GLU 11 16.698 -2.560 -6.008 75 HB2 GLU 11 HB2 GLU 11 16.087 -4.354 -4.386 76 HB3 GLU 11 HB3 GLU 11 14.781 -4.864 -5.438 77 HG2 GLU 11 HG2 GLU 11 16.235 -6.189 -6.560 78 HG3 GLU 11 HG3 GLU 11 17.094 -4.760 -7.098 79 HE2 GLU 11 HE2 GLU 11 19.355 -4.451 -5.154 80 H MET 12 H MET 12 13.333 -2.359 -6.851 81 HA MET 12 HA MET 12 13.921 -3.257 -9.553 82 HB2 MET 12 HB2 MET 12 11.605 -3.345 -7.756 83 HB3 MET 12 HB3 MET 12 11.156 -2.537 -9.245 84 HG2 MET 12 HG2 MET 12 11.177 -4.493 -10.412 85 HG3 MET 12 HG3 MET 12 12.780 -4.900 -9.833 86 HE1 MET 12 HE1 MET 12 9.507 -4.014 -8.376 87 HE2 MET 12 HE2 MET 12 8.864 -5.484 -7.607 88 HE3 MET 12 HE3 MET 12 10.040 -4.468 -6.740 89 H GLY 13 H GLY 13 14.649 -0.577 -8.150 90 HA2 GLY 13 HA2 GLY 13 14.417 1.100 -10.346 91 HA3 GLY 13 HA3 GLY 13 13.043 1.449 -9.316 92 H GLY 14 H GLY 14 13.496 1.924 -6.949 93 HA2 GLY 14 HA2 GLY 14 15.851 2.343 -5.725 94 HA3 GLY 14 HA3 GLY 14 15.747 3.738 -6.780 95 H CYS 15 H CYS 15 15.727 4.850 -4.561 96 HA CYS 15 HA CYS 15 13.394 4.578 -2.983 97 HB2 CYS 15 HB2 CYS 15 15.555 6.691 -3.043 98 HB3 CYS 15 HB3 CYS 15 14.250 6.659 -1.874 99 H GLU 16 H GLU 16 14.203 6.139 -5.975 100 HA GLU 16 HA GLU 16 12.286 8.237 -5.664 101 HB2 GLU 16 HB2 GLU 16 13.927 7.316 -8.064 102 HB3 GLU 16 HB3 GLU 16 12.889 8.728 -8.068 103 HG2 GLU 16 HG2 GLU 16 14.924 9.718 -7.501 104 HG3 GLU 16 HG3 GLU 16 14.276 9.408 -5.902 105 HE2 GLU 16 HE2 GLU 16 16.844 7.714 -4.930 106 H ASN 17 H ASN 17 11.737 5.107 -5.728 107 HA ASN 17 HA ASN 17 10.176 4.744 -8.027 108 HB2 ASN 17 HB2 ASN 17 11.224 2.995 -6.331 109 HB3 ASN 17 HB3 ASN 17 9.749 3.236 -5.417 110 HD21 ASN 17 HD21 ASN 17 7.718 3.281 -6.909 111 HD22 ASN 17 HD22 ASN 17 7.569 1.953 -8.011 112 H CYS 18 H CYS 18 9.712 6.188 -4.836 113 HA CYS 18 HA CYS 18 6.999 6.869 -5.575 114 HB2 CYS 18 HB2 CYS 18 7.411 5.821 -2.785 115 HB3 CYS 18 HB3 CYS 18 5.922 6.023 -3.687 116 H HIS 19 H HIS 19 9.755 8.119 -5.328 117 HA HIS 19 HA HIS 19 8.918 10.297 -3.614 118 HB2 HIS 19 HB2 HIS 19 11.560 8.853 -3.270 119 HB3 HIS 19 HB3 HIS 19 11.176 10.405 -2.553 120 HD1 HIS 19 HD1 HIS 19 8.283 9.832 -1.549 121 HD2 HIS 19 HD2 HIS 19 11.528 7.219 -1.062 122 HE1 HIS 19 HE1 HIS 19 7.708 8.340 0.440 123 H ALA 20 H ALA 20 9.535 12.299 -4.424 124 HA ALA 20 HA ALA 20 10.947 12.176 -6.983 125 HB1 ALA 20 HB1 ALA 20 8.583 13.431 -6.138 126 HB2 ALA 20 HB2 ALA 20 9.776 14.747 -6.245 127 HB3 ALA 20 HB3 ALA 20 9.456 13.720 -7.662 128 H ASP 21 H ASP 21 13.051 12.775 -7.067 129 HA ASP 21 HA ASP 21 15.004 13.445 -6.356 130 HB2 ASP 21 HB2 ASP 21 13.984 15.566 -7.233 131 HB3 ASP 21 HB3 ASP 21 13.416 15.950 -5.621 132 HD2 ASP 21 HD2 ASP 21 17.401 15.990 -5.945 133 H GLY 22 H GLY 22 13.524 11.962 -4.335 134 HA2 GLY 22 HA2 GLY 22 13.570 11.463 -2.145 135 HA3 GLY 22 HA3 GLY 22 15.031 12.426 -2.044 136 H GLU 23 H GLU 23 11.478 13.057 -2.555 137 HA GLU 23 HA GLU 23 11.556 14.755 -0.226 138 HB2 GLU 23 HB2 GLU 23 12.037 16.078 -2.456 139 HB3 GLU 23 HB3 GLU 23 10.321 15.878 -2.754 140 HG2 GLU 23 HG2 GLU 23 9.959 17.688 -1.435 141 HG3 GLU 23 HG3 GLU 23 10.444 16.711 -0.063 142 HE2 GLU 23 HE2 GLU 23 11.633 19.445 -1.948 143 HA PRO 24 HA PRO 24 8.035 11.732 -0.473 144 HB2 PRO 24 HB2 PRO 24 8.316 12.439 2.465 145 HB3 PRO 24 HB3 PRO 24 8.016 10.861 1.668 146 HG2 PRO 24 HG2 PRO 24 10.522 11.524 2.597 147 HG3 PRO 24 HG3 PRO 24 10.091 10.578 1.135 148 HD2 PRO 24 HD2 PRO 24 11.016 13.469 1.415 149 HD3 PRO 24 HD3 PRO 24 11.428 12.267 0.154 150 H SER 25 H SER 25 5.888 12.399 -0.731 151 HA SER 25 HA SER 25 5.305 15.085 -0.604 152 HB2 SER 25 HB2 SER 25 4.100 12.883 -1.674 153 HB3 SER 25 HB3 SER 25 3.040 13.152 -0.305 154 HG SER 25 HG SER 25 3.544 14.832 -2.565 155 H LYS 26 H LYS 26 3.532 16.128 0.780 156 HA LYS 26 HA LYS 26 3.782 15.133 3.532 157 HB2 LYS 26 HB2 LYS 26 3.139 17.987 2.829 158 HB3 LYS 26 HB3 LYS 26 3.818 17.336 4.307 159 HG2 LYS 26 HG2 LYS 26 5.671 16.553 2.344 160 HG3 LYS 26 HG3 LYS 26 5.184 18.153 1.823 161 HD2 LYS 26 HD2 LYS 26 5.990 19.194 3.773 162 HD3 LYS 26 HD3 LYS 26 5.824 17.745 4.746 163 HE2 LYS 26 HE2 LYS 26 7.966 17.125 4.308 164 HE3 LYS 26 HE3 LYS 26 7.700 17.232 2.580 165 HZ1 LYS 26 HZ1 LYS 26 8.021 19.698 2.827 166 HZ2 LYS 26 HZ2 LYS 26 8.467 19.466 4.376 167 H ASP 27 H ASP 27 1.899 13.965 1.761 168 HA ASP 27 HA ASP 27 -0.484 14.778 3.152 169 HB2 ASP 27 HB2 ASP 27 -1.719 14.510 0.841 170 HB3 ASP 27 HB3 ASP 27 -0.962 16.040 1.238 171 HD2 ASP 27 HD2 ASP 27 0.077 16.289 -1.579 172 H GLY 28 H GLY 28 0.647 12.752 0.328 173 HA2 GLY 28 HA2 GLY 28 1.008 10.353 0.908 174 HA3 GLY 28 HA3 GLY 28 -0.588 10.400 1.629 175 H ALA 29 H ALA 29 -1.552 12.360 -0.526 176 HA ALA 29 HA ALA 29 -2.599 10.427 -2.270 177 HB1 ALA 29 HB1 ALA 29 -3.204 12.643 -3.559 178 HB2 ALA 29 HB2 ALA 29 -3.935 12.314 -1.969 179 HB3 ALA 29 HB3 ALA 29 -2.561 13.438 -2.101 180 H TYR 30 H TYR 30 -0.113 12.972 -2.667 181 HA TYR 30 HA TYR 30 0.581 12.634 -5.312 182 HB2 TYR 30 HB2 TYR 30 1.528 14.294 -3.715 183 HB3 TYR 30 HB3 TYR 30 2.493 13.002 -2.981 184 HD1 TYR 30 HD1 TYR 30 1.767 13.724 -6.589 185 HD2 TYR 30 HD2 TYR 30 4.717 13.500 -3.475 186 HE1 TYR 30 HE1 TYR 30 3.559 14.113 -8.259 187 HE2 TYR 30 HE2 TYR 30 6.509 13.889 -5.144 188 HH TYR 30 HH TYR 30 6.982 13.873 -7.462 189 H GLU 31 H GLU 31 1.743 10.641 -2.487 190 HA GLU 31 HA GLU 31 3.376 9.067 -4.135 191 HB2 GLU 31 HB2 GLU 31 2.499 9.097 -1.299 192 HB3 GLU 31 HB3 GLU 31 2.859 7.496 -1.914 193 HG2 GLU 31 HG2 GLU 31 5.082 7.908 -1.780 194 HG3 GLU 31 HG3 GLU 31 4.920 9.276 -2.864 195 HE2 GLU 31 HE2 GLU 31 5.574 9.032 0.772 196 H PHE 32 H PHE 32 0.097 8.565 -2.662 197 HA PHE 32 HA PHE 32 -0.423 6.040 -3.447 198 HB2 PHE 32 HB2 PHE 32 -2.007 7.398 -2.165 199 HB3 PHE 32 HB3 PHE 32 -2.067 8.627 -3.413 200 HD1 PHE 32 HD1 PHE 32 -2.549 4.919 -3.475 201 HD2 PHE 32 HD2 PHE 32 -4.186 8.746 -4.300 202 HE1 PHE 32 HE1 PHE 32 -4.595 3.835 -4.445 203 HE2 PHE 32 HE2 PHE 32 -6.231 7.663 -5.270 204 HZ PHE 32 HZ PHE 32 -6.411 5.220 -5.331 205 H GLU 33 H GLU 33 -0.010 8.866 -5.515 206 HA GLU 33 HA GLU 33 -1.434 7.842 -7.704 207 HB2 GLU 33 HB2 GLU 33 0.104 10.208 -7.047 208 HB3 GLU 33 HB3 GLU 33 0.616 9.618 -8.616 209 HG2 GLU 33 HG2 GLU 33 -1.199 10.845 -9.336 210 HG3 GLU 33 HG3 GLU 33 -2.060 9.366 -8.960 211 HE2 GLU 33 HE2 GLU 33 -2.718 12.621 -6.791 212 H GLN 34 H GLN 34 2.034 7.793 -6.698 213 HA GLN 34 HA GLN 34 3.109 6.749 -8.960 214 HB2 GLN 34 HB2 GLN 34 3.834 6.241 -6.044 215 HB3 GLN 34 HB3 GLN 34 4.847 5.743 -7.384 216 HG2 GLN 34 HG2 GLN 34 4.113 8.565 -6.532 217 HG3 GLN 34 HG3 GLN 34 5.711 7.870 -6.718 218 HE21 GLN 34 HE21 GLN 34 4.235 10.224 -7.908 219 HE22 GLN 34 HE22 GLN 34 4.471 10.103 -9.620 220 H CYS 35 H CYS 35 1.155 5.160 -6.442 221 HA CYS 35 HA CYS 35 1.749 2.546 -7.505 222 HB2 CYS 35 HB2 CYS 35 -0.426 2.958 -5.518 223 HB3 CYS 35 HB3 CYS 35 0.761 1.674 -5.644 224 H GLN 36 H GLN 36 0.773 4.117 -9.551 225 HA GLN 36 HA GLN 36 -1.749 2.835 -10.030 226 HB2 GLN 36 HB2 GLN 36 -1.743 5.494 -9.116 227 HB3 GLN 36 HB3 GLN 36 -1.920 5.652 -10.852 228 HG2 GLN 36 HG2 GLN 36 -4.010 4.679 -10.872 229 HG3 GLN 36 HG3 GLN 36 -3.598 3.510 -9.632 230 HE21 GLN 36 HE21 GLN 36 -3.504 7.069 -9.766 231 HE22 GLN 36 HE22 GLN 36 -4.499 7.368 -8.380 232 H SER 37 H SER 37 0.226 1.836 -11.309 233 HA SER 37 HA SER 37 -0.090 2.735 -13.964 234 HB2 SER 37 HB2 SER 37 1.663 4.334 -13.159 235 HB3 SER 37 HB3 SER 37 2.689 2.980 -12.728 236 HG SER 37 HG SER 37 2.708 2.338 -14.983 237 H CYS 38 H CYS 38 2.631 1.107 -12.175 238 HA CYS 38 HA CYS 38 2.654 -1.057 -13.967 239 HB2 CYS 38 HB2 CYS 38 3.846 -1.131 -11.192 240 HB3 CYS 38 HB3 CYS 38 4.397 -1.947 -12.642 241 H HIS 39 H HIS 39 0.526 -0.134 -11.459 242 HA HIS 39 HA HIS 39 -0.306 -2.922 -11.101 243 HB2 HIS 39 HB2 HIS 39 -0.458 -0.591 -9.175 244 HB3 HIS 39 HB3 HIS 39 -1.312 -2.102 -8.933 245 HD1 HIS 39 HD1 HIS 39 0.529 -4.311 -9.197 246 HD2 HIS 39 HD2 HIS 39 1.910 -0.591 -7.839 247 HE1 HIS 39 HE1 HIS 39 2.711 -4.768 -7.957 248 H GLY 40 H GLY 40 -2.028 0.083 -10.164 249 HA2 GLY 40 HA2 GLY 40 -3.566 0.746 -12.223 250 HA3 GLY 40 HA3 GLY 40 -4.304 -0.777 -11.767 251 H SER 41 H SER 41 -6.279 0.277 -11.118 252 HA SER 41 HA SER 41 -5.959 1.910 -8.725 253 HB2 SER 41 HB2 SER 41 -7.143 3.279 -10.191 254 HB3 SER 41 HB3 SER 41 -7.927 1.933 -10.995 255 HG SER 41 HG SER 41 -8.726 3.386 -8.729 256 H LEU 42 H LEU 42 -7.402 1.484 -6.898 257 HA LEU 42 HA LEU 42 -7.754 -1.211 -6.357 258 HB2 LEU 42 HB2 LEU 42 -9.169 1.126 -5.070 259 HB3 LEU 42 HB3 LEU 42 -8.933 -0.468 -4.382 260 HG LEU 42 HG LEU 42 -6.460 0.967 -5.179 261 HD11 LEU 42 HD11 LEU 42 -8.081 2.694 -4.150 262 HD12 LEU 42 HD12 LEU 42 -7.800 1.823 -2.623 263 HD13 LEU 42 HD13 LEU 42 -6.433 2.566 -3.489 264 HD21 LEU 42 HD21 LEU 42 -6.365 0.050 -2.518 265 HD22 LEU 42 HD22 LEU 42 -7.266 -1.179 -3.438 266 HD23 LEU 42 HD23 LEU 42 -5.636 -0.692 -3.962 267 H ALA 43 H ALA 43 -9.895 1.204 -7.875 268 HA ALA 43 HA ALA 43 -12.246 -0.348 -7.676 269 HB1 ALA 43 HB1 ALA 43 -13.097 1.594 -8.416 270 HB2 ALA 43 HB2 ALA 43 -11.442 2.223 -8.595 271 HB3 ALA 43 HB3 ALA 43 -12.238 1.412 -9.965 272 H GLU 44 H GLU 44 -9.342 -0.882 -9.335 273 HA GLU 44 HA GLU 44 -10.774 -2.441 -11.345 274 HB2 GLU 44 HB2 GLU 44 -9.042 -0.428 -11.903 275 HB3 GLU 44 HB3 GLU 44 -7.889 -1.740 -11.767 276 HG2 GLU 44 HG2 GLU 44 -8.670 -1.516 -14.103 277 HG3 GLU 44 HG3 GLU 44 -9.154 -3.065 -13.442 278 HE2 GLU 44 HE2 GLU 44 -11.587 -2.248 -15.276 279 H MET 45 H MET 45 -9.982 -3.090 -8.482 280 HA MET 45 HA MET 45 -8.204 -5.315 -9.128 281 HB2 MET 45 HB2 MET 45 -8.613 -3.785 -6.498 282 HB3 MET 45 HB3 MET 45 -7.607 -5.213 -6.642 283 HG2 MET 45 HG2 MET 45 -6.440 -3.834 -8.608 284 HG3 MET 45 HG3 MET 45 -7.151 -2.452 -7.799 285 HE1 MET 45 HE1 MET 45 -3.715 -2.461 -7.590 286 HE2 MET 45 HE2 MET 45 -5.172 -1.440 -7.547 287 HE3 MET 45 HE3 MET 45 -4.148 -1.591 -6.099 288 H ASP 46 H ASP 46 -8.536 -6.908 -6.876 289 HA ASP 46 HA ASP 46 -10.736 -8.340 -7.455 290 HB2 ASP 46 HB2 ASP 46 -10.360 -8.633 -4.645 291 HB3 ASP 46 HB3 ASP 46 -9.721 -9.656 -5.916 292 HD2 ASP 46 HD2 ASP 46 -6.974 -9.013 -4.125 293 H ASP 47 H ASP 47 -12.497 -8.815 -5.470 294 HA ASP 47 HA ASP 47 -13.967 -6.384 -5.338 295 HB2 ASP 47 HB2 ASP 47 -14.425 -9.281 -4.693 296 HB3 ASP 47 HB3 ASP 47 -15.422 -8.130 -3.827 297 HD2 ASP 47 HD2 ASP 47 -16.897 -6.912 -5.114 298 H ASN 48 H ASN 48 -11.354 -7.352 -3.652 299 HA ASN 48 HA ASN 48 -12.456 -6.817 -1.026 300 HB2 ASN 48 HB2 ASN 48 -9.615 -7.665 -1.796 301 HB3 ASN 48 HB3 ASN 48 -10.278 -7.638 -0.174 302 HD21 ASN 48 HD21 ASN 48 -9.207 -9.913 -0.945 303 HD22 ASN 48 HD22 ASN 48 -10.384 -11.133 -1.301 304 H HIS 49 H HIS 49 -10.203 -5.662 -3.563 305 HA HIS 49 HA HIS 49 -9.193 -3.545 -1.903 306 HB2 HIS 49 HB2 HIS 49 -8.714 -4.484 -4.720 307 HB3 HIS 49 HB3 HIS 49 -8.169 -2.894 -4.225 308 HD1 HIS 49 HD1 HIS 49 -7.660 -6.572 -3.386 309 HD2 HIS 49 HD2 HIS 49 -5.843 -2.852 -2.709 310 HE1 HIS 49 HE1 HIS 49 -5.399 -7.065 -2.310 311 H LYS 50 H LYS 50 -11.725 -4.095 -4.327 312 HA LYS 50 HA LYS 50 -12.163 -1.483 -5.128 313 HB2 LYS 50 HB2 LYS 50 -13.827 -3.973 -4.976 314 HB3 LYS 50 HB3 LYS 50 -14.616 -2.453 -5.345 315 HG2 LYS 50 HG2 LYS 50 -12.628 -2.161 -7.087 316 HG3 LYS 50 HG3 LYS 50 -12.465 -3.897 -6.915 317 HD2 LYS 50 HD2 LYS 50 -15.106 -2.525 -7.594 318 HD3 LYS 50 HD3 LYS 50 -14.000 -3.132 -8.810 319 HE2 LYS 50 HE2 LYS 50 -14.156 -5.426 -7.747 320 HE3 LYS 50 HE3 LYS 50 -15.343 -4.794 -6.624 321 HZ1 LYS 50 HZ1 LYS 50 -16.103 -5.877 -8.868 322 HZ2 LYS 50 HZ2 LYS 50 -16.908 -4.582 -8.298 323 HA PRO 51 HA PRO 51 -15.686 -1.566 -1.511 324 HB2 PRO 51 HB2 PRO 51 -13.751 -3.081 0.279 325 HB3 PRO 51 HB3 PRO 51 -15.544 -3.054 0.259 326 HG2 PRO 51 HG2 PRO 51 -13.889 -5.023 -1.004 327 HG3 PRO 51 HG3 PRO 51 -15.617 -4.693 -1.354 328 HD2 PRO 51 HD2 PRO 51 -13.268 -4.220 -3.039 329 HD3 PRO 51 HD3 PRO 51 -14.983 -3.879 -3.421 330 H HIS 52 H HIS 52 -12.074 -1.592 -0.966 331 HA HIS 52 HA HIS 52 -12.312 0.673 0.767 332 HB2 HIS 52 HB2 HIS 52 -9.920 -0.788 -0.382 333 HB3 HIS 52 HB3 HIS 52 -9.802 0.553 0.740 334 HD1 HIS 52 HD1 HIS 52 -9.736 -3.000 0.743 335 HD2 HIS 52 HD2 HIS 52 -11.509 -0.124 3.230 336 HE1 HIS 52 HE1 HIS 52 -10.206 -4.166 2.963 337 H ASP 53 H ASP 53 -11.026 -0.002 -2.553 338 HA ASP 53 HA ASP 53 -9.901 2.023 -3.473 339 HB2 ASP 53 HB2 ASP 53 -11.028 0.412 -4.959 340 HB3 ASP 53 HB3 ASP 53 -12.592 1.110 -4.589 341 HD2 ASP 53 HD2 ASP 53 -10.171 3.167 -7.049 342 H GLY 54 H GLY 54 -9.927 4.151 -2.693 343 HA2 GLY 54 HA2 GLY 54 -10.782 6.298 -2.736 344 HA3 GLY 54 HA3 GLY 54 -12.400 5.673 -2.989 345 H LEU 55 H LEU 55 -9.833 5.067 -0.478 346 HA LEU 55 HA LEU 55 -11.436 6.307 1.539 347 HB2 LEU 55 HB2 LEU 55 -11.453 3.364 1.174 348 HB3 LEU 55 HB3 LEU 55 -11.240 3.948 2.813 349 HG LEU 55 HG LEU 55 -13.565 4.535 0.962 350 HD11 LEU 55 HD11 LEU 55 -14.646 2.850 1.931 351 HD12 LEU 55 HD12 LEU 55 -13.080 2.348 2.612 352 HD13 LEU 55 HD13 LEU 55 -14.173 3.382 3.562 353 HD21 LEU 55 HD21 LEU 55 -14.163 5.411 3.572 354 HD22 LEU 55 HD22 LEU 55 -12.563 6.081 3.175 355 HD23 LEU 55 HD23 LEU 55 -13.950 6.396 2.105 356 H LEU 56 H LEU 56 -8.931 3.680 1.288 357 HA LEU 56 HA LEU 56 -7.111 5.525 2.666 358 HB2 LEU 56 HB2 LEU 56 -6.407 3.923 4.147 359 HB3 LEU 56 HB3 LEU 56 -8.137 3.656 4.083 360 HG LEU 56 HG LEU 56 -6.641 2.027 2.147 361 HD11 LEU 56 HD11 LEU 56 -5.591 2.245 4.824 362 HD12 LEU 56 HD12 LEU 56 -6.219 0.605 4.535 363 HD13 LEU 56 HD13 LEU 56 -4.996 1.295 3.442 364 HD21 LEU 56 HD21 LEU 56 -9.125 1.977 3.280 365 HD22 LEU 56 HD22 LEU 56 -8.348 0.607 2.453 366 HD23 LEU 56 HD23 LEU 56 -8.274 0.734 4.227 367 H MET 57 H MET 57 -4.862 5.320 2.090 368 HA MET 57 HA MET 57 -4.573 4.632 -0.636 369 HB2 MET 57 HB2 MET 57 -2.657 5.557 1.567 370 HB3 MET 57 HB3 MET 57 -2.102 5.259 -0.068 371 HG2 MET 57 HG2 MET 57 -3.585 6.981 -0.969 372 HG3 MET 57 HG3 MET 57 -4.402 7.163 0.570 373 HE1 MET 57 HE1 MET 57 -3.705 9.426 1.985 374 HE2 MET 57 HE2 MET 57 -3.376 7.815 2.666 375 HE3 MET 57 HE3 MET 57 -2.152 9.101 2.792 376 H CYS 58 H CYS 58 -2.444 3.341 -1.292 377 HA CYS 58 HA CYS 58 -2.865 0.707 -0.530 378 HB2 CYS 58 HB2 CYS 58 -0.295 1.739 -1.717 379 HB3 CYS 58 HB3 CYS 58 -1.015 0.151 -1.895 380 H ALA 59 H ALA 59 0.145 2.693 0.005 381 HA ALA 59 HA ALA 59 1.426 1.159 1.776 382 HB1 ALA 59 HB1 ALA 59 1.081 4.177 1.998 383 HB2 ALA 59 HB2 ALA 59 2.444 3.217 2.621 384 HB3 ALA 59 HB3 ALA 59 2.181 3.354 0.866 385 H ASP 60 H ASP 60 -1.143 3.579 2.645 386 HA ASP 60 HA ASP 60 -1.224 3.438 5.246 387 HB2 ASP 60 HB2 ASP 60 -3.618 3.074 3.387 388 HB3 ASP 60 HB3 ASP 60 -3.770 3.482 5.084 389 HD2 ASP 60 HD2 ASP 60 -4.112 6.483 4.458 390 H CYS 61 H CYS 61 -2.048 0.803 2.982 391 HA CYS 61 HA CYS 61 -2.796 -0.887 5.247 392 HB2 CYS 61 HB2 CYS 61 -3.844 -0.614 2.568 393 HB3 CYS 61 HB3 CYS 61 -3.276 -2.254 2.812 394 H HIS 62 H HIS 62 -0.883 -0.785 2.156 395 HA HIS 62 HA HIS 62 0.644 -3.070 3.035 396 HB2 HIS 62 HB2 HIS 62 0.684 -1.408 0.503 397 HB3 HIS 62 HB3 HIS 62 1.781 -2.742 0.803 398 HD1 HIS 62 HD1 HIS 62 0.294 -5.085 1.569 399 HD2 HIS 62 HD2 HIS 62 -1.484 -2.219 -0.924 400 HE1 HIS 62 HE1 HIS 62 -1.623 -6.270 0.372 401 H ALA 63 H ALA 63 1.072 -1.331 4.979 402 HA ALA 63 HA ALA 63 2.716 0.759 4.836 403 HB1 ALA 63 HB1 ALA 63 1.995 -1.221 6.771 404 HB2 ALA 63 HB2 ALA 63 3.751 -0.958 6.895 405 HB3 ALA 63 HB3 ALA 63 2.632 0.417 7.053 406 HA PRO 64 HA PRO 64 5.978 -1.089 2.307 407 HB2 PRO 64 HB2 PRO 64 6.669 1.814 2.049 408 HB3 PRO 64 HB3 PRO 64 6.314 0.583 0.794 409 HG2 PRO 64 HG2 PRO 64 4.303 2.487 1.260 410 HG3 PRO 64 HG3 PRO 64 4.112 0.743 0.886 411 HD2 PRO 64 HD2 PRO 64 4.235 2.139 3.626 412 HD3 PRO 64 HD3 PRO 64 2.941 1.079 2.989 413 H HIS 65 H HIS 65 6.546 1.896 4.366 414 HA HIS 65 HA HIS 65 9.145 0.876 5.020 415 HB2 HIS 65 HB2 HIS 65 7.614 3.369 5.780 416 HB3 HIS 65 HB3 HIS 65 9.180 2.985 6.466 417 HD1 HIS 65 HD1 HIS 65 10.930 2.201 4.212 418 HD2 HIS 65 HD2 HIS 65 7.981 5.150 3.760 419 HE1 HIS 65 HE1 HIS 65 11.632 3.614 2.206 420 H GLU 66 H GLU 66 7.731 -1.158 5.822 421 HA GLU 66 HA GLU 66 8.193 -1.367 8.495 422 HB2 GLU 66 HB2 GLU 66 5.962 0.233 8.211 423 HB3 GLU 66 HB3 GLU 66 5.222 -1.348 8.364 424 HG2 GLU 66 HG2 GLU 66 5.464 -1.059 10.613 425 HG3 GLU 66 HG3 GLU 66 7.151 -1.456 10.353 426 HE2 GLU 66 HE2 GLU 66 8.218 1.842 10.761 427 H ALA 67 H ALA 67 5.470 -2.261 6.243 428 HA ALA 67 HA ALA 67 5.406 -4.942 7.043 429 HB1 ALA 67 HB1 ALA 67 3.664 -3.514 5.780 430 HB2 ALA 67 HB2 ALA 67 4.600 -3.894 4.315 431 HB3 ALA 67 HB3 ALA 67 3.862 -5.206 5.264 432 H LYS 68 H LYS 68 5.820 -6.795 5.365 433 HA LYS 68 HA LYS 68 8.276 -6.258 3.874 434 HB2 LYS 68 HB2 LYS 68 8.130 -8.776 5.482 435 HB3 LYS 68 HB3 LYS 68 9.529 -7.889 4.910 436 HG2 LYS 68 HG2 LYS 68 8.620 -5.984 6.541 437 HG3 LYS 68 HG3 LYS 68 7.767 -7.312 7.303 438 HD2 LYS 68 HD2 LYS 68 10.631 -7.881 6.718 439 HD3 LYS 68 HD3 LYS 68 10.379 -6.581 7.865 440 HE2 LYS 68 HE2 LYS 68 8.850 -8.103 9.193 441 HE3 LYS 68 HE3 LYS 68 9.226 -9.403 8.080 442 HZ1 LYS 68 HZ1 LYS 68 10.755 -9.647 9.834 443 HZ2 LYS 68 HZ2 LYS 68 11.653 -8.913 8.691 444 H VAL 69 H VAL 69 8.341 -7.258 1.894 445 HA VAL 69 HA VAL 69 6.145 -8.057 0.611 446 HB VAL 69 HB VAL 69 9.037 -8.739 0.353 447 HG11 VAL 69 HG11 VAL 69 8.060 -10.832 -0.316 448 HG12 VAL 69 HG12 VAL 69 6.828 -10.004 -1.298 449 HG13 VAL 69 HG13 VAL 69 8.539 -9.952 -1.787 450 HG21 VAL 69 HG21 VAL 69 7.008 -7.036 -1.019 451 HG22 VAL 69 HG22 VAL 69 8.707 -6.697 -0.610 452 HG23 VAL 69 HG23 VAL 69 8.317 -7.716 -2.016 453 H GLY 70 H GLY 70 4.744 -9.765 0.558 454 HA2 GLY 70 HA2 GLY 70 4.026 -11.919 0.827 455 HA3 GLY 70 HA3 GLY 70 5.557 -12.358 1.558 456 H GLU 71 H GLU 71 3.466 -9.591 2.536 457 HA GLU 71 HA GLU 71 2.755 -11.093 4.917 458 HB2 GLU 71 HB2 GLU 71 4.796 -9.590 5.311 459 HB3 GLU 71 HB3 GLU 71 3.745 -8.215 5.034 460 HG2 GLU 71 HG2 GLU 71 2.687 -10.220 6.974 461 HG3 GLU 71 HG3 GLU 71 4.147 -9.401 7.493 462 HE2 GLU 71 HE2 GLU 71 2.542 -6.505 8.216 463 H LYS 72 H LYS 72 0.563 -11.269 4.478 464 HA LYS 72 HA LYS 72 -0.862 -9.084 3.314 465 HB2 LYS 72 HB2 LYS 72 -2.700 -10.546 3.243 466 HB3 LYS 72 HB3 LYS 72 -1.301 -11.560 2.948 467 HG2 LYS 72 HG2 LYS 72 -1.422 -11.729 5.680 468 HG3 LYS 72 HG3 LYS 72 -3.119 -11.475 5.326 469 HD2 LYS 72 HD2 LYS 72 -2.597 -13.354 3.439 470 HD3 LYS 72 HD3 LYS 72 -1.348 -13.790 4.588 471 HE2 LYS 72 HE2 LYS 72 -3.042 -13.997 6.394 472 HE3 LYS 72 HE3 LYS 72 -4.306 -13.483 5.294 473 HZ1 LYS 72 HZ1 LYS 72 -4.442 -15.774 5.132 474 HZ2 LYS 72 HZ2 LYS 72 -3.428 -15.495 3.889 475 HA PRO 73 HA PRO 73 -1.209 -6.675 7.001 476 HB2 PRO 73 HB2 PRO 73 -3.573 -5.745 5.314 477 HB3 PRO 73 HB3 PRO 73 -2.395 -4.802 6.284 478 HG2 PRO 73 HG2 PRO 73 -2.089 -5.063 3.558 479 HG3 PRO 73 HG3 PRO 73 -0.689 -5.121 4.677 480 HD2 PRO 73 HD2 PRO 73 -2.198 -7.371 3.285 481 HD3 PRO 73 HD3 PRO 73 -0.445 -7.221 3.617 482 H THR 74 H THR 74 -2.785 -6.492 8.800 483 HA THR 74 HA THR 74 -4.744 -8.680 8.685 484 HB THR 74 HB THR 74 -4.503 -8.599 11.187 485 HG1 THR 74 HG1 THR 74 -3.926 -6.397 11.470 486 HG21 THR 74 HG21 THR 74 -1.774 -8.771 11.094 487 HG22 THR 74 HG22 THR 74 -2.836 -10.100 10.573 488 HG23 THR 74 HG23 THR 74 -2.146 -8.988 9.367 489 H CYS 75 H CYS 75 -6.894 -8.347 8.941 490 HA CYS 75 HA CYS 75 -7.839 -5.739 8.542 491 HB2 CYS 75 HB2 CYS 75 -9.522 -8.024 9.547 492 HB3 CYS 75 HB3 CYS 75 -10.002 -6.668 8.546 493 H ASP 76 H ASP 76 -6.942 -7.641 11.351 494 HA ASP 76 HA ASP 76 -8.615 -6.439 13.215 495 HB2 ASP 76 HB2 ASP 76 -7.553 -8.397 13.969 496 HB3 ASP 76 HB3 ASP 76 -6.004 -7.945 13.285 497 HD2 ASP 76 HD2 ASP 76 -4.917 -5.957 14.915 498 H THR 77 H THR 77 -6.095 -5.176 11.291 499 HA THR 77 HA THR 77 -5.116 -3.299 13.287 500 HB THR 77 HB THR 77 -4.444 -3.671 10.321 501 HG1 THR 77 HG1 THR 77 -3.398 -4.644 12.884 502 HG21 THR 77 HG21 THR 77 -3.457 -1.883 12.485 503 HG22 THR 77 HG22 THR 77 -2.177 -2.837 11.700 504 HG23 THR 77 HG23 THR 77 -3.212 -1.765 10.726 505 H CYS 78 H CYS 78 -7.996 -3.467 12.011 506 HA CYS 78 HA CYS 78 -8.328 -0.654 12.025 507 HB2 CYS 78 HB2 CYS 78 -8.174 -2.046 9.395 508 HB3 CYS 78 HB3 CYS 78 -9.495 -0.913 9.602 509 H HIS 79 H HIS 79 -9.729 -3.746 10.696 510 HA HIS 79 HA HIS 79 -12.300 -3.004 11.788 511 HB2 HIS 79 HB2 HIS 79 -11.449 -5.417 10.161 512 HB3 HIS 79 HB3 HIS 79 -13.095 -5.026 10.616 513 HD1 HIS 79 HD1 HIS 79 -13.700 -2.316 9.800 514 HD2 HIS 79 HD2 HIS 79 -10.934 -4.596 7.622 515 HE1 HIS 79 HE1 HIS 79 -13.558 -1.249 7.486 516 H ASP 80 H ASP 80 -13.299 -3.981 13.549 517 HA ASP 80 HA ASP 80 -11.685 -6.019 14.868 518 HB2 ASP 80 HB2 ASP 80 -13.322 -3.781 16.151 519 HB3 ASP 80 HB3 ASP 80 -12.524 -5.060 17.044 520 HD2 ASP 80 HD2 ASP 80 -11.481 -2.416 17.665 521 H ASP 81 H ASP 81 -13.822 -6.507 12.978 522 HA ASP 81 HA ASP 81 -15.950 -7.350 14.785 523 HB2 ASP 81 HB2 ASP 81 -17.516 -7.128 12.966 524 HB3 ASP 81 HB3 ASP 81 -16.573 -5.652 13.000 525 HD2 ASP 81 HD2 ASP 81 -15.009 -5.590 10.635 526 H GLY 82 H GLY 82 -13.315 -8.670 13.979 527 HA2 GLY 82 HA2 GLY 82 -12.772 -10.877 13.739 528 HA3 GLY 82 HA3 GLY 82 -14.414 -11.247 13.250 529 H ARG 83 H ARG 83 -13.812 -8.614 11.389 530 HA ARG 83 HA ARG 83 -13.877 -9.680 9.033 531 HB2 ARG 83 HB2 ARG 83 -12.982 -7.188 10.081 532 HB3 ARG 83 HB3 ARG 83 -11.737 -7.675 8.948 533 HG2 ARG 83 HG2 ARG 83 -13.594 -6.319 7.897 534 HG3 ARG 83 HG3 ARG 83 -13.337 -7.875 7.132 535 HD2 ARG 83 HD2 ARG 83 -15.482 -8.479 7.565 536 HD3 ARG 83 HD3 ARG 83 -15.227 -8.256 9.285 537 HE ARG 83 HE ARG 83 -16.145 -6.071 9.144 538 H THR 84 H THR 84 -12.693 -11.071 7.733 539 HA THR 84 HA THR 84 -9.862 -11.463 8.442 540 HB THR 84 HB THR 84 -10.413 -13.919 7.710 541 HG1 THR 84 HG1 THR 84 -13.024 -12.840 8.492 542 HG21 THR 84 HG21 THR 84 -12.050 -13.837 10.050 543 HG22 THR 84 HG22 THR 84 -10.318 -14.239 9.970 544 HG23 THR 84 HG23 THR 84 -10.829 -12.559 10.259 545 H ALA 85 H ALA 85 -8.492 -12.241 6.673 546 HA ALA 85 HA ALA 85 -9.137 -10.801 4.286 547 HB1 ALA 85 HB1 ALA 85 -6.831 -12.446 3.951 548 HB2 ALA 85 HB2 ALA 85 -6.895 -10.696 4.273 549 HB3 ALA 85 HB3 ALA 85 -6.813 -11.848 5.628 550 H LYS 86 H LYS 86 -9.393 -11.693 2.158 551 HA LYS 86 HA LYS 86 -10.170 -14.527 2.203 552 HB2 LYS 86 HB2 LYS 86 -11.864 -12.392 1.812 553 HB3 LYS 86 HB3 LYS 86 -11.444 -12.822 0.167 554 HG2 LYS 86 HG2 LYS 86 -12.118 -15.075 2.048 555 HG3 LYS 86 HG3 LYS 86 -13.439 -14.053 1.516 556 HD2 LYS 86 HD2 LYS 86 -13.512 -15.339 -0.358 557 HD3 LYS 86 HD3 LYS 86 -12.047 -14.519 -0.861 558 HE2 LYS 86 HE2 LYS 86 -10.692 -16.277 0.359 559 HE3 LYS 86 HE3 LYS 86 -12.181 -17.119 0.740 560 HZ1 LYS 86 HZ1 LYS 86 -12.599 -17.273 -1.691 561 HZ2 LYS 86 HZ2 LYS 86 -11.154 -16.586 -1.996 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 11.499 -12.777 7.397 2 HA ALA 1 HA ALA 1 13.706 -11.606 7.842 3 HB1 ALA 1 HB1 ALA 1 14.832 -14.025 6.429 4 HB2 ALA 1 HB2 ALA 1 15.674 -12.789 7.394 5 HB3 ALA 1 HB3 ALA 1 14.673 -14.019 8.202 6 H ASP 2 H ASP 2 11.734 -10.821 6.376 7 HA ASP 2 HA ASP 2 12.611 -11.135 3.613 8 HB2 ASP 2 HB2 ASP 2 9.920 -10.884 4.915 9 HB3 ASP 2 HB3 ASP 2 10.113 -10.041 3.391 10 HD2 ASP 2 HD2 ASP 2 9.197 -12.957 4.608 11 H GLU 3 H GLU 3 12.854 -9.160 2.365 12 HA GLU 3 HA GLU 3 13.449 -6.894 3.932 13 HB2 GLU 3 HB2 GLU 3 14.140 -5.878 1.826 14 HB3 GLU 3 HB3 GLU 3 14.697 -7.539 1.863 15 HG2 GLU 3 HG2 GLU 3 12.327 -7.993 0.669 16 HG3 GLU 3 HG3 GLU 3 12.495 -6.310 0.209 17 HE2 GLU 3 HE2 GLU 3 13.962 -9.424 -0.148 18 H THR 4 H THR 4 12.482 -4.723 3.705 19 HA THR 4 HA THR 4 9.688 -4.783 3.881 20 HB THR 4 HB THR 4 10.012 -2.267 3.910 21 HG1 THR 4 HG1 THR 4 11.822 -1.679 2.785 22 HG21 THR 4 HG21 THR 4 11.972 -4.012 5.474 23 HG22 THR 4 HG22 THR 4 11.884 -2.249 5.709 24 HG23 THR 4 HG23 THR 4 10.467 -3.266 6.063 25 H LEU 5 H LEU 5 8.084 -3.685 2.541 26 HA LEU 5 HA LEU 5 8.222 -4.583 -0.098 27 HB2 LEU 5 HB2 LEU 5 6.238 -3.951 1.515 28 HB3 LEU 5 HB3 LEU 5 6.377 -2.386 0.738 29 HG LEU 5 HG LEU 5 6.358 -4.133 -1.413 30 HD11 LEU 5 HD11 LEU 5 4.068 -5.091 0.252 31 HD12 LEU 5 HD12 LEU 5 4.894 -5.866 -1.120 32 HD13 LEU 5 HD13 LEU 5 5.668 -5.837 0.483 33 HD21 LEU 5 HD21 LEU 5 3.760 -3.377 -1.282 34 HD22 LEU 5 HD22 LEU 5 4.495 -2.218 -0.148 35 HD23 LEU 5 HD23 LEU 5 5.087 -2.321 -1.823 36 H ALA 6 H ALA 6 8.853 -1.379 1.419 37 HA ALA 6 HA ALA 6 9.089 0.100 -0.905 38 HB1 ALA 6 HB1 ALA 6 9.758 0.320 1.928 39 HB2 ALA 6 HB2 ALA 6 10.981 1.113 0.906 40 HB3 ALA 6 HB3 ALA 6 9.270 1.587 0.777 41 H GLU 7 H GLU 7 11.480 -1.967 0.837 42 HA GLU 7 HA GLU 7 13.647 -1.254 -0.728 43 HB2 GLU 7 HB2 GLU 7 13.361 -2.724 1.504 44 HB3 GLU 7 HB3 GLU 7 13.424 -4.051 0.362 45 HG2 GLU 7 HG2 GLU 7 15.557 -2.950 -0.598 46 HG3 GLU 7 HG3 GLU 7 15.530 -1.891 0.798 47 HE2 GLU 7 HE2 GLU 7 16.785 -3.955 2.945 48 H PHE 8 H PHE 8 11.549 -4.226 -0.920 49 HA PHE 8 HA PHE 8 12.592 -5.407 -3.091 50 HB2 PHE 8 HB2 PHE 8 10.646 -6.223 -1.763 51 HB3 PHE 8 HB3 PHE 8 9.672 -4.866 -2.293 52 HD1 PHE 8 HD1 PHE 8 11.521 -7.798 -3.669 53 HD2 PHE 8 HD2 PHE 8 8.243 -5.137 -4.097 54 HE1 PHE 8 HE1 PHE 8 10.664 -9.163 -5.592 55 HE2 PHE 8 HE2 PHE 8 7.386 -6.503 -6.021 56 HZ PHE 8 HZ PHE 8 8.606 -8.500 -6.745 57 H HIS 9 H HIS 9 10.491 -2.494 -3.039 58 HA HIS 9 HA HIS 9 10.181 -2.474 -5.865 59 HB2 HIS 9 HB2 HIS 9 9.470 -0.656 -3.591 60 HB3 HIS 9 HB3 HIS 9 9.453 -0.009 -5.220 61 HD1 HIS 9 HD1 HIS 9 7.722 -2.555 -3.020 62 HD2 HIS 9 HD2 HIS 9 7.336 -0.882 -6.847 63 HE1 HIS 9 HE1 HIS 9 5.439 -3.287 -3.893 64 H VAL 10 H VAL 10 12.377 -0.966 -3.464 65 HA VAL 10 HA VAL 10 13.556 0.911 -5.119 66 HB VAL 10 HB VAL 10 14.379 -0.625 -2.685 67 HG11 VAL 10 HG11 VAL 10 16.535 -0.493 -3.389 68 HG12 VAL 10 HG12 VAL 10 16.195 0.819 -4.544 69 HG13 VAL 10 HG13 VAL 10 16.380 1.184 -2.811 70 HG21 VAL 10 HG21 VAL 10 14.429 1.663 -1.710 71 HG22 VAL 10 HG22 VAL 10 13.920 2.316 -3.287 72 HG23 VAL 10 HG23 VAL 10 12.841 1.224 -2.385 73 H GLU 11 H GLU 11 14.571 -2.511 -4.435 74 HA GLU 11 HA GLU 11 16.736 -2.538 -6.081 75 HB2 GLU 11 HB2 GLU 11 16.013 -4.335 -4.455 76 HB3 GLU 11 HB3 GLU 11 14.806 -4.854 -5.615 77 HG2 GLU 11 HG2 GLU 11 16.897 -4.938 -7.283 78 HG3 GLU 11 HG3 GLU 11 17.818 -5.048 -5.795 79 HE2 GLU 11 HE2 GLU 11 17.330 -6.873 -4.453 80 H MET 12 H MET 12 13.371 -2.284 -6.914 81 HA MET 12 HA MET 12 13.950 -3.144 -9.632 82 HB2 MET 12 HB2 MET 12 11.585 -3.141 -7.839 83 HB3 MET 12 HB3 MET 12 11.204 -2.497 -9.424 84 HG2 MET 12 HG2 MET 12 12.274 -4.562 -10.456 85 HG3 MET 12 HG3 MET 12 12.484 -5.212 -8.842 86 HE1 MET 12 HE1 MET 12 10.575 -4.719 -7.160 87 HE2 MET 12 HE2 MET 12 9.187 -3.794 -7.780 88 HE3 MET 12 HE3 MET 12 9.014 -5.530 -7.428 89 H GLY 13 H GLY 13 14.683 -0.491 -8.185 90 HA2 GLY 13 HA2 GLY 13 14.450 1.227 -10.346 91 HA3 GLY 13 HA3 GLY 13 13.072 1.554 -9.315 92 H GLY 14 H GLY 14 13.493 2.042 -6.964 93 HA2 GLY 14 HA2 GLY 14 15.852 2.428 -5.714 94 HA3 GLY 14 HA3 GLY 14 15.748 3.838 -6.749 95 H CYS 15 H CYS 15 15.705 4.952 -4.548 96 HA CYS 15 HA CYS 15 13.379 4.637 -2.963 97 HB2 CYS 15 HB2 CYS 15 15.509 6.783 -3.009 98 HB3 CYS 15 HB3 CYS 15 14.212 6.709 -1.833 99 H GLU 16 H GLU 16 14.165 6.221 -5.947 100 HA GLU 16 HA GLU 16 12.238 8.305 -5.623 101 HB2 GLU 16 HB2 GLU 16 13.850 7.391 -8.046 102 HB3 GLU 16 HB3 GLU 16 12.823 8.811 -8.023 103 HG2 GLU 16 HG2 GLU 16 14.876 9.777 -7.479 104 HG3 GLU 16 HG3 GLU 16 14.244 9.467 -5.874 105 HE2 GLU 16 HE2 GLU 16 16.348 6.855 -7.790 106 H ASN 17 H ASN 17 11.684 5.185 -5.663 107 HA ASN 17 HA ASN 17 10.105 4.817 -7.956 108 HB2 ASN 17 HB2 ASN 17 11.188 3.086 -6.225 109 HB3 ASN 17 HB3 ASN 17 9.667 3.277 -5.376 110 HD21 ASN 17 HD21 ASN 17 7.692 3.226 -6.891 111 HD22 ASN 17 HD22 ASN 17 7.633 1.926 -8.035 112 H CYS 18 H CYS 18 9.678 6.239 -4.750 113 HA CYS 18 HA CYS 18 6.958 6.924 -5.449 114 HB2 CYS 18 HB2 CYS 18 7.385 5.822 -2.683 115 HB3 CYS 18 HB3 CYS 18 5.892 6.039 -3.574 116 H HIS 19 H HIS 19 9.669 8.212 -5.247 117 HA HIS 19 HA HIS 19 8.863 10.332 -3.454 118 HB2 HIS 19 HB2 HIS 19 11.513 8.887 -3.189 119 HB3 HIS 19 HB3 HIS 19 11.151 10.432 -2.445 120 HD1 HIS 19 HD1 HIS 19 8.292 9.877 -1.366 121 HD2 HIS 19 HD2 HIS 19 11.509 7.207 -1.020 122 HE1 HIS 19 HE1 HIS 19 7.752 8.358 0.612 123 H ALA 20 H ALA 20 9.034 12.212 -4.563 124 HA ALA 20 HA ALA 20 10.493 12.200 -7.047 125 HB1 ALA 20 HB1 ALA 20 8.158 13.255 -6.450 126 HB2 ALA 20 HB2 ALA 20 9.139 14.606 -5.830 127 HB3 ALA 20 HB3 ALA 20 9.266 14.124 -7.539 128 H ASP 21 H ASP 21 12.624 12.673 -7.173 129 HA ASP 21 HA ASP 21 14.612 13.345 -6.592 130 HB2 ASP 21 HB2 ASP 21 13.382 15.512 -7.302 131 HB3 ASP 21 HB3 ASP 21 13.267 15.893 -5.596 132 HD2 ASP 21 HD2 ASP 21 16.503 15.771 -7.778 133 H GLY 22 H GLY 22 13.286 11.827 -4.524 134 HA2 GLY 22 HA2 GLY 22 13.399 11.317 -2.339 135 HA3 GLY 22 HA3 GLY 22 14.904 12.215 -2.320 136 H GLU 23 H GLU 23 11.396 13.119 -2.709 137 HA GLU 23 HA GLU 23 11.660 14.714 -0.315 138 HB2 GLU 23 HB2 GLU 23 12.067 15.997 -2.657 139 HB3 GLU 23 HB3 GLU 23 10.315 16.052 -2.644 140 HG2 GLU 23 HG2 GLU 23 10.832 16.796 -0.052 141 HG3 GLU 23 HG3 GLU 23 12.271 17.415 -0.838 142 HE2 GLU 23 HE2 GLU 23 10.672 19.590 -2.899 143 HA PRO 24 HA PRO 24 8.001 11.852 -0.416 144 HB2 PRO 24 HB2 PRO 24 8.264 12.822 2.450 145 HB3 PRO 24 HB3 PRO 24 7.906 11.189 1.798 146 HG2 PRO 24 HG2 PRO 24 10.406 11.857 2.667 147 HG3 PRO 24 HG3 PRO 24 10.010 10.700 1.355 148 HD2 PRO 24 HD2 PRO 24 11.169 13.479 1.232 149 HD3 PRO 24 HD3 PRO 24 11.315 12.137 0.057 150 H SER 25 H SER 25 6.034 12.713 -1.074 151 HA SER 25 HA SER 25 5.504 15.363 -1.080 152 HB2 SER 25 HB2 SER 25 4.264 13.192 -2.082 153 HB3 SER 25 HB3 SER 25 3.191 13.471 -0.725 154 HG SER 25 HG SER 25 3.920 15.607 -2.522 155 H LYS 26 H LYS 26 3.699 16.572 0.132 156 HA LYS 26 HA LYS 26 3.810 15.812 2.967 157 HB2 LYS 26 HB2 LYS 26 3.618 18.195 3.475 158 HB3 LYS 26 HB3 LYS 26 5.035 17.865 2.499 159 HG2 LYS 26 HG2 LYS 26 4.185 18.951 0.630 160 HG3 LYS 26 HG3 LYS 26 2.526 18.516 0.991 161 HD2 LYS 26 HD2 LYS 26 2.529 20.825 1.441 162 HD3 LYS 26 HD3 LYS 26 2.771 20.147 3.039 163 HE2 LYS 26 HE2 LYS 26 4.900 20.983 3.211 164 HE3 LYS 26 HE3 LYS 26 5.308 20.552 1.562 165 HZ1 LYS 26 HZ1 LYS 26 3.428 22.770 1.963 166 HZ2 LYS 26 HZ2 LYS 26 5.005 23.055 2.251 167 H ASP 27 H ASP 27 1.955 14.554 1.242 168 HA ASP 27 HA ASP 27 -0.454 15.622 2.416 169 HB2 ASP 27 HB2 ASP 27 -1.582 15.055 0.098 170 HB3 ASP 27 HB3 ASP 27 -0.802 16.608 0.324 171 HD2 ASP 27 HD2 ASP 27 0.283 16.817 -2.042 172 H GLY 28 H GLY 28 0.699 13.176 -0.044 173 HA2 GLY 28 HA2 GLY 28 0.952 10.871 0.806 174 HA3 GLY 28 HA3 GLY 28 -0.613 11.068 1.569 175 H ALA 29 H ALA 29 -1.342 12.840 -0.959 176 HA ALA 29 HA ALA 29 -2.487 10.629 -2.398 177 HB1 ALA 29 HB1 ALA 29 -4.038 12.171 -2.942 178 HB2 ALA 29 HB2 ALA 29 -3.189 13.280 -1.838 179 HB3 ALA 29 HB3 ALA 29 -2.806 13.289 -3.576 180 H TYR 30 H TYR 30 -0.481 13.478 -3.260 181 HA TYR 30 HA TYR 30 0.188 12.929 -5.845 182 HB2 TYR 30 HB2 TYR 30 1.003 14.892 -4.735 183 HB3 TYR 30 HB3 TYR 30 1.935 13.927 -3.578 184 HD1 TYR 30 HD1 TYR 30 1.632 14.013 -7.331 185 HD2 TYR 30 HD2 TYR 30 4.212 14.117 -3.898 186 HE1 TYR 30 HE1 TYR 30 3.610 14.135 -8.821 187 HE2 TYR 30 HE2 TYR 30 6.190 14.240 -5.388 188 HH TYR 30 HH TYR 30 6.938 14.398 -7.543 189 H GLU 31 H GLU 31 1.784 11.445 -2.917 190 HA GLU 31 HA GLU 31 3.523 9.930 -4.510 191 HB2 GLU 31 HB2 GLU 31 4.038 8.740 -2.395 192 HB3 GLU 31 HB3 GLU 31 4.040 10.478 -2.171 193 HG2 GLU 31 HG2 GLU 31 1.523 10.177 -1.478 194 HG3 GLU 31 HG3 GLU 31 1.920 8.478 -1.311 195 HE2 GLU 31 HE2 GLU 31 4.058 8.458 0.873 196 H PHE 32 H PHE 32 0.454 9.151 -2.736 197 HA PHE 32 HA PHE 32 0.261 6.506 -3.217 198 HB2 PHE 32 HB2 PHE 32 -1.423 7.731 -1.948 199 HB3 PHE 32 HB3 PHE 32 -1.724 8.835 -3.275 200 HD1 PHE 32 HD1 PHE 32 -1.827 5.128 -2.764 201 HD2 PHE 32 HD2 PHE 32 -3.772 8.582 -4.279 202 HE1 PHE 32 HE1 PHE 32 -3.765 3.714 -3.502 203 HE2 PHE 32 HE2 PHE 32 -5.710 7.168 -5.016 204 HZ PHE 32 HZ PHE 32 -5.683 4.751 -4.619 205 H GLU 33 H GLU 33 -0.052 9.154 -5.566 206 HA GLU 33 HA GLU 33 -1.436 7.765 -7.514 207 HB2 GLU 33 HB2 GLU 33 0.009 10.278 -7.260 208 HB3 GLU 33 HB3 GLU 33 0.363 9.550 -8.814 209 HG2 GLU 33 HG2 GLU 33 -2.511 9.477 -7.976 210 HG3 GLU 33 HG3 GLU 33 -1.863 11.069 -8.320 211 HE2 GLU 33 HE2 GLU 33 -3.491 9.681 -10.946 212 H GLN 34 H GLN 34 2.060 7.937 -6.700 213 HA GLN 34 HA GLN 34 3.161 6.877 -8.907 214 HB2 GLN 34 HB2 GLN 34 3.832 6.358 -5.981 215 HB3 GLN 34 HB3 GLN 34 4.867 5.842 -7.298 216 HG2 GLN 34 HG2 GLN 34 4.145 8.674 -6.474 217 HG3 GLN 34 HG3 GLN 34 5.739 7.965 -6.637 218 HE21 GLN 34 HE21 GLN 34 4.279 10.322 -7.857 219 HE22 GLN 34 HE22 GLN 34 4.542 10.194 -9.564 220 H CYS 35 H CYS 35 1.274 5.199 -6.369 221 HA CYS 35 HA CYS 35 1.869 2.623 -7.500 222 HB2 CYS 35 HB2 CYS 35 -0.315 2.966 -5.513 223 HB3 CYS 35 HB3 CYS 35 0.898 1.709 -5.653 224 H GLN 36 H GLN 36 0.894 4.165 -9.542 225 HA GLN 36 HA GLN 36 -1.627 2.885 -10.025 226 HB2 GLN 36 HB2 GLN 36 -1.670 5.508 -9.076 227 HB3 GLN 36 HB3 GLN 36 -1.754 5.731 -10.812 228 HG2 GLN 36 HG2 GLN 36 -3.853 4.806 -10.969 229 HG3 GLN 36 HG3 GLN 36 -3.504 3.552 -9.796 230 HE21 GLN 36 HE21 GLN 36 -3.409 7.113 -9.704 231 HE22 GLN 36 HE22 GLN 36 -4.454 7.326 -8.339 232 H SER 37 H SER 37 0.271 1.851 -11.332 233 HA SER 37 HA SER 37 -0.020 2.750 -13.974 234 HB2 SER 37 HB2 SER 37 1.919 4.188 -12.743 235 HB3 SER 37 HB3 SER 37 2.880 2.795 -13.196 236 HG SER 37 HG SER 37 1.902 3.128 -15.430 237 H CYS 38 H CYS 38 2.705 1.163 -12.150 238 HA CYS 38 HA CYS 38 2.775 -1.007 -13.938 239 HB2 CYS 38 HB2 CYS 38 3.941 -1.067 -11.153 240 HB3 CYS 38 HB3 CYS 38 4.522 -1.862 -12.603 241 H HIS 39 H HIS 39 0.622 -0.099 -11.441 242 HA HIS 39 HA HIS 39 -0.185 -2.895 -11.086 243 HB2 HIS 39 HB2 HIS 39 -0.363 -0.564 -9.162 244 HB3 HIS 39 HB3 HIS 39 -1.214 -2.077 -8.925 245 HD1 HIS 39 HD1 HIS 39 0.626 -4.284 -9.163 246 HD2 HIS 39 HD2 HIS 39 2.005 -0.555 -7.825 247 HE1 HIS 39 HE1 HIS 39 2.804 -4.734 -7.913 248 H GLY 40 H GLY 40 -1.944 0.090 -10.155 249 HA2 GLY 40 HA2 GLY 40 -3.477 0.745 -12.220 250 HA3 GLY 40 HA3 GLY 40 -4.200 -0.790 -11.777 251 H SER 41 H SER 41 -6.192 0.191 -11.108 252 HA SER 41 HA SER 41 -5.909 1.834 -8.716 253 HB2 SER 41 HB2 SER 41 -8.087 2.797 -9.241 254 HB3 SER 41 HB3 SER 41 -7.051 2.934 -10.647 255 HG SER 41 HG SER 41 -8.486 0.542 -10.623 256 H LEU 42 H LEU 42 -7.372 1.383 -6.904 257 HA LEU 42 HA LEU 42 -7.670 -1.320 -6.366 258 HB2 LEU 42 HB2 LEU 42 -9.143 0.992 -5.098 259 HB3 LEU 42 HB3 LEU 42 -8.898 -0.600 -4.407 260 HG LEU 42 HG LEU 42 -6.429 0.862 -5.166 261 HD11 LEU 42 HD11 LEU 42 -6.439 2.429 -3.414 262 HD12 LEU 42 HD12 LEU 42 -8.022 2.609 -4.208 263 HD13 LEU 42 HD13 LEU 42 -7.894 1.722 -2.670 264 HD21 LEU 42 HD21 LEU 42 -6.282 -0.018 -2.529 265 HD22 LEU 42 HD22 LEU 42 -7.281 -1.242 -3.349 266 HD23 LEU 42 HD23 LEU 42 -5.661 -0.851 -3.974 267 H ALA 43 H ALA 43 -9.930 1.092 -7.766 268 HA ALA 43 HA ALA 43 -12.215 -0.523 -7.636 269 HB1 ALA 43 HB1 ALA 43 -11.421 2.052 -8.623 270 HB2 ALA 43 HB2 ALA 43 -12.300 1.206 -9.919 271 HB3 ALA 43 HB3 ALA 43 -13.065 1.436 -8.329 272 H GLU 44 H GLU 44 -9.296 -0.861 -9.410 273 HA GLU 44 HA GLU 44 -10.682 -2.434 -11.431 274 HB2 GLU 44 HB2 GLU 44 -9.125 -0.552 -12.161 275 HB3 GLU 44 HB3 GLU 44 -7.793 -1.465 -11.480 276 HG2 GLU 44 HG2 GLU 44 -7.641 -2.492 -13.504 277 HG3 GLU 44 HG3 GLU 44 -9.076 -3.385 -13.040 278 HE2 GLU 44 HE2 GLU 44 -8.279 -0.273 -14.569 279 H MET 45 H MET 45 -9.847 -3.049 -8.479 280 HA MET 45 HA MET 45 -8.229 -5.389 -9.127 281 HB2 MET 45 HB2 MET 45 -8.610 -3.860 -6.492 282 HB3 MET 45 HB3 MET 45 -7.657 -5.324 -6.638 283 HG2 MET 45 HG2 MET 45 -6.368 -4.020 -8.538 284 HG3 MET 45 HG3 MET 45 -7.098 -2.589 -7.838 285 HE1 MET 45 HE1 MET 45 -3.698 -2.631 -7.468 286 HE2 MET 45 HE2 MET 45 -5.130 -1.575 -7.499 287 HE3 MET 45 HE3 MET 45 -4.152 -1.706 -6.017 288 H ASP 46 H ASP 46 -8.665 -6.982 -6.899 289 HA ASP 46 HA ASP 46 -10.941 -8.287 -7.517 290 HB2 ASP 46 HB2 ASP 46 -10.570 -8.656 -4.712 291 HB3 ASP 46 HB3 ASP 46 -10.005 -9.692 -6.008 292 HD2 ASP 46 HD2 ASP 46 -6.834 -8.939 -5.857 293 H ASP 47 H ASP 47 -12.704 -8.710 -5.507 294 HA ASP 47 HA ASP 47 -14.040 -6.203 -5.322 295 HB2 ASP 47 HB2 ASP 47 -14.664 -9.083 -4.696 296 HB3 ASP 47 HB3 ASP 47 -15.620 -7.863 -3.879 297 HD2 ASP 47 HD2 ASP 47 -17.026 -9.041 -7.067 298 H ASN 48 H ASN 48 -11.463 -7.258 -3.697 299 HA ASN 48 HA ASN 48 -12.531 -6.780 -1.042 300 HB2 ASN 48 HB2 ASN 48 -9.720 -7.703 -1.829 301 HB3 ASN 48 HB3 ASN 48 -10.411 -7.736 -0.219 302 HD21 ASN 48 HD21 ASN 48 -9.400 -10.003 -1.082 303 HD22 ASN 48 HD22 ASN 48 -10.608 -11.165 -1.520 304 H HIS 49 H HIS 49 -10.281 -5.635 -3.578 305 HA HIS 49 HA HIS 49 -9.175 -3.604 -1.863 306 HB2 HIS 49 HB2 HIS 49 -8.702 -4.543 -4.675 307 HB3 HIS 49 HB3 HIS 49 -8.137 -2.955 -4.197 308 HD1 HIS 49 HD1 HIS 49 -7.688 -6.629 -3.303 309 HD2 HIS 49 HD2 HIS 49 -5.810 -2.930 -2.684 310 HE1 HIS 49 HE1 HIS 49 -5.437 -7.143 -2.217 311 H LYS 50 H LYS 50 -11.656 -3.992 -4.390 312 HA LYS 50 HA LYS 50 -11.994 -1.334 -5.077 313 HB2 LYS 50 HB2 LYS 50 -13.164 -2.671 -6.485 314 HB3 LYS 50 HB3 LYS 50 -13.571 -3.835 -5.240 315 HG2 LYS 50 HG2 LYS 50 -15.463 -2.649 -4.540 316 HG3 LYS 50 HG3 LYS 50 -14.809 -1.097 -5.025 317 HD2 LYS 50 HD2 LYS 50 -16.738 -2.088 -6.459 318 HD3 LYS 50 HD3 LYS 50 -15.357 -1.425 -7.309 319 HE2 LYS 50 HE2 LYS 50 -14.542 -3.537 -7.937 320 HE3 LYS 50 HE3 LYS 50 -15.278 -4.350 -6.571 321 HZ1 LYS 50 HZ1 LYS 50 -16.525 -4.881 -8.541 322 HZ2 LYS 50 HZ2 LYS 50 -17.475 -3.907 -7.648 323 HA PRO 51 HA PRO 51 -15.487 -1.598 -1.441 324 HB2 PRO 51 HB2 PRO 51 -13.493 -3.115 0.287 325 HB3 PRO 51 HB3 PRO 51 -15.287 -3.115 0.304 326 HG2 PRO 51 HG2 PRO 51 -13.909 -4.981 -0.884 327 HG3 PRO 51 HG3 PRO 51 -15.518 -4.652 -1.606 328 HD2 PRO 51 HD2 PRO 51 -12.820 -4.142 -2.698 329 HD3 PRO 51 HD3 PRO 51 -14.405 -3.948 -3.507 330 H HIS 52 H HIS 52 -11.869 -1.451 -1.095 331 HA HIS 52 HA HIS 52 -12.182 0.775 0.723 332 HB2 HIS 52 HB2 HIS 52 -9.745 -0.690 -0.320 333 HB3 HIS 52 HB3 HIS 52 -9.674 0.666 0.788 334 HD1 HIS 52 HD1 HIS 52 -9.701 -2.918 0.797 335 HD2 HIS 52 HD2 HIS 52 -11.356 0.043 3.265 336 HE1 HIS 52 HE1 HIS 52 -10.216 -4.050 3.026 337 H ASP 53 H ASP 53 -11.119 0.038 -2.628 338 HA ASP 53 HA ASP 53 -9.852 2.014 -3.571 339 HB2 ASP 53 HB2 ASP 53 -11.104 0.419 -4.996 340 HB3 ASP 53 HB3 ASP 53 -12.611 1.233 -4.626 341 HD2 ASP 53 HD2 ASP 53 -10.025 3.488 -6.593 342 H GLY 54 H GLY 54 -9.819 4.054 -2.507 343 HA2 GLY 54 HA2 GLY 54 -10.557 6.267 -2.591 344 HA3 GLY 54 HA3 GLY 54 -12.196 5.727 -2.894 345 H LEU 55 H LEU 55 -9.694 4.993 -0.350 346 HA LEU 55 HA LEU 55 -11.316 6.216 1.663 347 HB2 LEU 55 HB2 LEU 55 -11.421 3.303 1.200 348 HB3 LEU 55 HB3 LEU 55 -11.134 3.787 2.859 349 HG LEU 55 HG LEU 55 -13.476 4.658 1.144 350 HD11 LEU 55 HD11 LEU 55 -13.212 2.595 3.335 351 HD12 LEU 55 HD12 LEU 55 -14.775 3.293 2.845 352 HD13 LEU 55 HD13 LEU 55 -13.800 2.379 1.668 353 HD21 LEU 55 HD21 LEU 55 -12.610 5.413 3.923 354 HD22 LEU 55 HD22 LEU 55 -13.169 6.449 2.588 355 HD23 LEU 55 HD23 LEU 55 -14.330 5.424 3.466 356 H LEU 56 H LEU 56 -8.838 3.566 1.390 357 HA LEU 56 HA LEU 56 -7.010 5.361 2.820 358 HB2 LEU 56 HB2 LEU 56 -6.370 3.747 4.317 359 HB3 LEU 56 HB3 LEU 56 -8.105 3.520 4.223 360 HG LEU 56 HG LEU 56 -6.597 1.852 2.324 361 HD11 LEU 56 HD11 LEU 56 -6.230 0.341 4.595 362 HD12 LEU 56 HD12 LEU 56 -4.964 1.229 3.714 363 HD13 LEU 56 HD13 LEU 56 -5.753 1.971 5.127 364 HD21 LEU 56 HD21 LEU 56 -8.437 0.620 2.482 365 HD22 LEU 56 HD22 LEU 56 -8.257 0.464 4.246 366 HD23 LEU 56 HD23 LEU 56 -9.108 1.869 3.559 367 H MET 57 H MET 57 -4.881 5.378 2.083 368 HA MET 57 HA MET 57 -4.532 4.586 -0.560 369 HB2 MET 57 HB2 MET 57 -2.662 5.517 1.672 370 HB3 MET 57 HB3 MET 57 -2.033 5.138 0.081 371 HG2 MET 57 HG2 MET 57 -2.466 7.389 -0.261 372 HG3 MET 57 HG3 MET 57 -4.042 6.762 -0.705 373 HE1 MET 57 HE1 MET 57 -2.445 7.189 3.081 374 HE2 MET 57 HE2 MET 57 -1.780 8.271 1.834 375 HE3 MET 57 HE3 MET 57 -2.821 8.928 3.119 376 H CYS 58 H CYS 58 -2.422 3.269 -1.218 377 HA CYS 58 HA CYS 58 -2.882 0.636 -0.467 378 HB2 CYS 58 HB2 CYS 58 -0.305 1.642 -1.663 379 HB3 CYS 58 HB3 CYS 58 -1.038 0.060 -1.837 380 H ALA 59 H ALA 59 0.186 2.534 0.040 381 HA ALA 59 HA ALA 59 1.451 0.998 1.798 382 HB1 ALA 59 HB1 ALA 59 1.111 4.018 2.012 383 HB2 ALA 59 HB2 ALA 59 2.446 3.065 2.703 384 HB3 ALA 59 HB3 ALA 59 2.251 3.174 0.937 385 H ASP 60 H ASP 60 -1.139 3.383 2.692 386 HA ASP 60 HA ASP 60 -1.213 3.245 5.290 387 HB2 ASP 60 HB2 ASP 60 -3.225 3.471 3.184 388 HB3 ASP 60 HB3 ASP 60 -3.916 2.668 4.580 389 HD2 ASP 60 HD2 ASP 60 -1.520 5.163 4.708 390 H CYS 61 H CYS 61 -2.003 0.585 3.036 391 HA CYS 61 HA CYS 61 -2.683 -1.117 5.314 392 HB2 CYS 61 HB2 CYS 61 -3.739 -0.892 2.619 393 HB3 CYS 61 HB3 CYS 61 -3.176 -2.524 2.921 394 H HIS 62 H HIS 62 -0.841 -1.025 2.176 395 HA HIS 62 HA HIS 62 0.756 -3.258 3.050 396 HB2 HIS 62 HB2 HIS 62 0.772 -1.596 0.517 397 HB3 HIS 62 HB3 HIS 62 1.843 -2.952 0.809 398 HD1 HIS 62 HD1 HIS 62 0.326 -5.270 1.569 399 HD2 HIS 62 HD2 HIS 62 -1.433 -2.356 -0.883 400 HE1 HIS 62 HE1 HIS 62 -1.625 -6.413 0.387 401 H ALA 63 H ALA 63 1.178 -1.512 4.987 402 HA ALA 63 HA ALA 63 2.783 0.610 4.811 403 HB1 ALA 63 HB1 ALA 63 1.875 -0.615 6.869 404 HB2 ALA 63 HB2 ALA 63 3.324 -1.645 6.771 405 HB3 ALA 63 HB3 ALA 63 3.494 0.107 7.033 406 HA PRO 64 HA PRO 64 6.054 -1.186 2.265 407 HB2 PRO 64 HB2 PRO 64 6.722 1.726 2.038 408 HB3 PRO 64 HB3 PRO 64 6.378 0.506 0.769 409 HG2 PRO 64 HG2 PRO 64 4.350 2.383 1.256 410 HG3 PRO 64 HG3 PRO 64 4.180 0.640 0.866 411 HD2 PRO 64 HD2 PRO 64 4.283 2.014 3.618 412 HD3 PRO 64 HD3 PRO 64 3.003 0.944 2.971 413 H HIS 65 H HIS 65 6.591 1.766 4.379 414 HA HIS 65 HA HIS 65 9.207 0.763 5.003 415 HB2 HIS 65 HB2 HIS 65 7.659 3.234 5.801 416 HB3 HIS 65 HB3 HIS 65 9.230 2.853 6.476 417 HD1 HIS 65 HD1 HIS 65 10.955 2.089 4.178 418 HD2 HIS 65 HD2 HIS 65 8.025 5.071 3.832 419 HE1 HIS 65 HE1 HIS 65 11.643 3.541 2.196 420 H GLU 66 H GLU 66 7.730 -1.276 5.768 421 HA GLU 66 HA GLU 66 8.200 -1.467 8.475 422 HB2 GLU 66 HB2 GLU 66 5.728 -0.146 7.922 423 HB3 GLU 66 HB3 GLU 66 5.312 -1.758 8.468 424 HG2 GLU 66 HG2 GLU 66 6.615 -1.481 10.520 425 HG3 GLU 66 HG3 GLU 66 7.291 0.032 9.948 426 HE2 GLU 66 HE2 GLU 66 3.436 -0.195 10.043 427 H ALA 67 H ALA 67 5.364 -2.595 6.494 428 HA ALA 67 HA ALA 67 5.676 -5.267 7.189 429 HB1 ALA 67 HB1 ALA 67 3.956 -3.635 5.602 430 HB2 ALA 67 HB2 ALA 67 4.484 -4.995 4.582 431 HB3 ALA 67 HB3 ALA 67 3.690 -5.310 6.143 432 H LYS 68 H LYS 68 6.152 -7.079 5.544 433 HA LYS 68 HA LYS 68 8.383 -6.280 3.816 434 HB2 LYS 68 HB2 LYS 68 9.129 -8.772 4.662 435 HB3 LYS 68 HB3 LYS 68 9.757 -7.260 5.286 436 HG2 LYS 68 HG2 LYS 68 8.022 -7.254 7.072 437 HG3 LYS 68 HG3 LYS 68 7.339 -8.736 6.432 438 HD2 LYS 68 HD2 LYS 68 8.784 -9.914 7.719 439 HD3 LYS 68 HD3 LYS 68 10.108 -9.283 6.760 440 HE2 LYS 68 HE2 LYS 68 9.107 -7.329 8.745 441 HE3 LYS 68 HE3 LYS 68 9.691 -8.806 9.487 442 HZ1 LYS 68 HZ1 LYS 68 11.755 -8.512 8.109 443 HZ2 LYS 68 HZ2 LYS 68 11.217 -7.046 7.649 444 H VAL 69 H VAL 69 8.465 -7.299 1.816 445 HA VAL 69 HA VAL 69 6.259 -8.071 0.559 446 HB VAL 69 HB VAL 69 9.131 -8.838 0.271 447 HG11 VAL 69 HG11 VAL 69 8.161 -9.785 -2.068 448 HG12 VAL 69 HG12 VAL 69 8.502 -10.812 -0.655 449 HG13 VAL 69 HG13 VAL 69 6.840 -10.260 -0.974 450 HG21 VAL 69 HG21 VAL 69 9.023 -6.873 -0.805 451 HG22 VAL 69 HG22 VAL 69 8.196 -7.765 -2.104 452 HG23 VAL 69 HG23 VAL 69 7.244 -6.907 -0.868 453 H GLY 70 H GLY 70 4.876 -9.810 0.401 454 HA2 GLY 70 HA2 GLY 70 4.151 -11.962 0.667 455 HA3 GLY 70 HA3 GLY 70 5.639 -12.382 1.491 456 H GLU 71 H GLU 71 3.436 -9.630 2.270 457 HA GLU 71 HA GLU 71 2.900 -10.996 4.793 458 HB2 GLU 71 HB2 GLU 71 2.963 -8.863 5.939 459 HB3 GLU 71 HB3 GLU 71 4.435 -9.008 4.998 460 HG2 GLU 71 HG2 GLU 71 1.962 -7.586 3.922 461 HG3 GLU 71 HG3 GLU 71 3.178 -6.749 4.866 462 HE2 GLU 71 HE2 GLU 71 4.797 -5.893 2.354 463 H LYS 72 H LYS 72 0.752 -11.012 5.542 464 HA LYS 72 HA LYS 72 -1.179 -9.795 3.691 465 HB2 LYS 72 HB2 LYS 72 -1.171 -12.447 5.119 466 HB3 LYS 72 HB3 LYS 72 -2.683 -11.694 4.655 467 HG2 LYS 72 HG2 LYS 72 -1.109 -11.421 2.349 468 HG3 LYS 72 HG3 LYS 72 -0.640 -12.994 2.963 469 HD2 LYS 72 HD2 LYS 72 -3.533 -12.692 3.158 470 HD3 LYS 72 HD3 LYS 72 -3.014 -12.326 1.525 471 HE2 LYS 72 HE2 LYS 72 -1.533 -14.550 1.873 472 HE3 LYS 72 HE3 LYS 72 -2.768 -14.910 3.064 473 HZ1 LYS 72 HZ1 LYS 72 -4.389 -15.041 1.438 474 HZ2 LYS 72 HZ2 LYS 72 -3.645 -14.026 0.404 475 HA PRO 73 HA PRO 73 -1.444 -7.023 7.256 476 HB2 PRO 73 HB2 PRO 73 -3.738 -6.269 5.398 477 HB3 PRO 73 HB3 PRO 73 -2.616 -5.234 6.340 478 HG2 PRO 73 HG2 PRO 73 -2.150 -5.695 3.729 479 HG3 PRO 73 HG3 PRO 73 -0.764 -5.544 4.857 480 HD2 PRO 73 HD2 PRO 73 -1.929 -7.967 3.506 481 HD3 PRO 73 HD3 PRO 73 -0.283 -7.718 4.163 482 H THR 74 H THR 74 -3.148 -6.725 8.933 483 HA THR 74 HA THR 74 -5.126 -8.905 8.810 484 HB THR 74 HB THR 74 -4.903 -8.840 11.335 485 HG1 THR 74 HG1 THR 74 -2.569 -7.212 10.694 486 HG21 THR 74 HG21 THR 74 -2.541 -9.384 9.528 487 HG22 THR 74 HG22 THR 74 -2.259 -9.353 11.286 488 HG23 THR 74 HG23 THR 74 -3.423 -10.506 10.592 489 H CYS 75 H CYS 75 -7.241 -8.426 8.881 490 HA CYS 75 HA CYS 75 -8.025 -5.753 8.652 491 HB2 CYS 75 HB2 CYS 75 -9.931 -7.931 9.440 492 HB3 CYS 75 HB3 CYS 75 -10.196 -6.544 8.402 493 H ASP 76 H ASP 76 -8.023 -8.169 11.337 494 HA ASP 76 HA ASP 76 -9.507 -6.990 13.186 495 HB2 ASP 76 HB2 ASP 76 -6.928 -8.520 13.270 496 HB3 ASP 76 HB3 ASP 76 -7.386 -7.713 14.756 497 HD2 ASP 76 HD2 ASP 76 -8.036 -10.418 12.818 498 H THR 77 H THR 77 -6.455 -5.843 11.816 499 HA THR 77 HA THR 77 -5.630 -4.127 13.877 500 HB THR 77 HB THR 77 -5.235 -3.932 10.844 501 HG1 THR 77 HG1 THR 77 -4.522 -5.977 11.582 502 HG21 THR 77 HG21 THR 77 -2.858 -3.263 12.031 503 HG22 THR 77 HG22 THR 77 -4.067 -2.050 11.547 504 HG23 THR 77 HG23 THR 77 -3.995 -2.610 13.235 505 H CYS 78 H CYS 78 -7.903 -3.667 11.128 506 HA CYS 78 HA CYS 78 -8.500 -1.041 12.274 507 HB2 CYS 78 HB2 CYS 78 -8.614 -2.096 9.458 508 HB3 CYS 78 HB3 CYS 78 -9.662 -0.774 9.932 509 H HIS 79 H HIS 79 -9.949 -3.970 10.672 510 HA HIS 79 HA HIS 79 -12.495 -3.302 11.898 511 HB2 HIS 79 HB2 HIS 79 -11.856 -5.550 9.974 512 HB3 HIS 79 HB3 HIS 79 -13.443 -4.958 10.425 513 HD1 HIS 79 HD1 HIS 79 -13.362 -2.009 9.973 514 HD2 HIS 79 HD2 HIS 79 -11.365 -4.692 7.441 515 HE1 HIS 79 HE1 HIS 79 -13.035 -0.790 7.755 516 H ASP 80 H ASP 80 -12.265 -3.793 14.090 517 HA ASP 80 HA ASP 80 -11.144 -6.351 14.759 518 HB2 ASP 80 HB2 ASP 80 -11.170 -3.886 16.013 519 HB3 ASP 80 HB3 ASP 80 -12.463 -4.703 16.869 520 HD2 ASP 80 HD2 ASP 80 -11.303 -5.418 18.892 521 H ASP 81 H ASP 81 -13.624 -6.347 13.199 522 HA ASP 81 HA ASP 81 -15.573 -7.117 15.217 523 HB2 ASP 81 HB2 ASP 81 -17.213 -6.978 13.286 524 HB3 ASP 81 HB3 ASP 81 -16.462 -5.452 13.712 525 HD2 ASP 81 HD2 ASP 81 -17.373 -5.220 11.532 526 H GLY 82 H GLY 82 -13.129 -8.618 13.968 527 HA2 GLY 82 HA2 GLY 82 -12.879 -10.915 13.800 528 HA3 GLY 82 HA3 GLY 82 -14.575 -11.092 13.394 529 H ARG 83 H ARG 83 -13.915 -8.544 11.508 530 HA ARG 83 HA ARG 83 -14.138 -9.640 9.162 531 HB2 ARG 83 HB2 ARG 83 -13.092 -7.157 10.155 532 HB3 ARG 83 HB3 ARG 83 -12.005 -7.675 8.882 533 HG2 ARG 83 HG2 ARG 83 -13.970 -6.255 8.097 534 HG3 ARG 83 HG3 ARG 83 -13.782 -7.780 7.256 535 HD2 ARG 83 HD2 ARG 83 -15.844 -8.469 7.920 536 HD3 ARG 83 HD3 ARG 83 -15.443 -8.202 9.605 537 HE ARG 83 HE ARG 83 -16.448 -6.061 9.510 538 H THR 84 H THR 84 -13.014 -11.001 7.768 539 HA THR 84 HA THR 84 -10.165 -11.445 8.364 540 HB THR 84 HB THR 84 -10.727 -13.889 7.710 541 HG1 THR 84 HG1 THR 84 -13.130 -14.216 8.119 542 HG21 THR 84 HG21 THR 84 -10.742 -14.223 9.969 543 HG22 THR 84 HG22 THR 84 -11.161 -12.512 10.226 544 HG23 THR 84 HG23 THR 84 -12.450 -13.721 10.011 545 H ALA 85 H ALA 85 -8.877 -12.211 6.538 546 HA ALA 85 HA ALA 85 -9.550 -10.731 4.206 547 HB1 ALA 85 HB1 ALA 85 -7.351 -12.802 4.466 548 HB2 ALA 85 HB2 ALA 85 -7.373 -11.319 3.481 549 HB3 ALA 85 HB3 ALA 85 -7.235 -11.210 5.253 550 H LYS 86 H LYS 86 -9.863 -11.592 2.039 551 HA LYS 86 HA LYS 86 -11.164 -14.218 2.137 552 HB2 LYS 86 HB2 LYS 86 -12.454 -12.066 1.524 553 HB3 LYS 86 HB3 LYS 86 -11.578 -12.119 0.008 554 HG2 LYS 86 HG2 LYS 86 -12.386 -14.685 0.025 555 HG3 LYS 86 HG3 LYS 86 -13.631 -14.051 1.083 556 HD2 LYS 86 HD2 LYS 86 -14.452 -12.540 -0.590 557 HD3 LYS 86 HD3 LYS 86 -13.004 -12.696 -1.566 558 HE2 LYS 86 HE2 LYS 86 -14.365 -14.138 -2.761 559 HE3 LYS 86 HE3 LYS 86 -13.740 -15.292 -1.599 560 HZ1 LYS 86 HZ1 LYS 86 -16.410 -14.183 -1.788 561 HZ2 LYS 86 HZ2 LYS 86 -15.937 -15.623 -1.193 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 12.958 -10.733 -0.141 2 HA ALA 1 HA ALA 1 14.397 -12.862 0.210 3 HB1 ALA 1 HB1 ALA 1 16.298 -10.762 -0.897 4 HB2 ALA 1 HB2 ALA 1 16.831 -12.211 -0.012 5 HB3 ALA 1 HB3 ALA 1 15.967 -12.381 -1.558 6 H ASP 2 H ASP 2 12.898 -11.798 1.952 7 HA ASP 2 HA ASP 2 12.662 -10.960 3.937 8 HB2 ASP 2 HB2 ASP 2 15.209 -12.223 3.938 9 HB3 ASP 2 HB3 ASP 2 15.459 -10.703 4.774 10 HD2 ASP 2 HD2 ASP 2 15.171 -11.154 7.067 11 H GLU 3 H GLU 3 12.001 -8.797 3.404 12 HA GLU 3 HA GLU 3 13.612 -6.754 4.296 13 HB2 GLU 3 HB2 GLU 3 14.180 -5.557 2.221 14 HB3 GLU 3 HB3 GLU 3 14.939 -7.136 2.241 15 HG2 GLU 3 HG2 GLU 3 12.564 -7.768 1.018 16 HG3 GLU 3 HG3 GLU 3 12.743 -6.107 0.491 17 HE2 GLU 3 HE2 GLU 3 13.288 -8.880 -0.783 18 H THR 4 H THR 4 12.600 -4.494 3.530 19 HA THR 4 HA THR 4 9.769 -4.786 3.923 20 HB THR 4 HB THR 4 9.968 -2.223 3.903 21 HG1 THR 4 HG1 THR 4 11.982 -2.580 2.452 22 HG21 THR 4 HG21 THR 4 12.232 -2.935 5.658 23 HG22 THR 4 HG22 THR 4 10.635 -2.282 6.096 24 HG23 THR 4 HG23 THR 4 10.849 -4.035 5.874 25 H LEU 5 H LEU 5 8.162 -3.589 2.573 26 HA LEU 5 HA LEU 5 8.332 -4.528 -0.063 27 HB2 LEU 5 HB2 LEU 5 6.321 -3.920 1.528 28 HB3 LEU 5 HB3 LEU 5 6.446 -2.356 0.747 29 HG LEU 5 HG LEU 5 6.480 -4.140 -1.387 30 HD11 LEU 5 HD11 LEU 5 5.085 -5.895 -1.069 31 HD12 LEU 5 HD12 LEU 5 5.679 -5.749 0.603 32 HD13 LEU 5 HD13 LEU 5 4.107 -5.047 0.153 33 HD21 LEU 5 HD21 LEU 5 5.349 -2.074 -1.533 34 HD22 LEU 5 HD22 LEU 5 4.096 -3.327 -1.703 35 HD23 LEU 5 HD23 LEU 5 4.288 -2.464 -0.158 36 H ALA 6 H ALA 6 8.827 -1.282 1.434 37 HA ALA 6 HA ALA 6 9.103 0.166 -0.901 38 HB1 ALA 6 HB1 ALA 6 9.340 0.577 1.861 39 HB2 ALA 6 HB2 ALA 6 10.943 0.998 1.212 40 HB3 ALA 6 HB3 ALA 6 9.489 1.812 0.588 41 H GLU 7 H GLU 7 11.284 -2.136 0.696 42 HA GLU 7 HA GLU 7 13.571 -1.281 -0.717 43 HB2 GLU 7 HB2 GLU 7 13.696 -2.477 1.453 44 HB3 GLU 7 HB3 GLU 7 12.981 -3.903 0.728 45 HG2 GLU 7 HG2 GLU 7 15.340 -4.311 0.721 46 HG3 GLU 7 HG3 GLU 7 14.940 -3.908 -0.937 47 HE2 GLU 7 HE2 GLU 7 16.477 -0.896 1.208 48 H PHE 8 H PHE 8 11.517 -4.282 -0.951 49 HA PHE 8 HA PHE 8 12.614 -5.438 -3.109 50 HB2 PHE 8 HB2 PHE 8 10.659 -6.281 -1.803 51 HB3 PHE 8 HB3 PHE 8 9.668 -4.951 -2.369 52 HD1 PHE 8 HD1 PHE 8 11.652 -7.809 -3.722 53 HD2 PHE 8 HD2 PHE 8 8.245 -5.316 -4.151 54 HE1 PHE 8 HE1 PHE 8 10.868 -9.212 -5.650 55 HE2 PHE 8 HE2 PHE 8 7.461 -6.719 -6.079 56 HZ PHE 8 HZ PHE 8 8.782 -8.650 -6.806 57 H HIS 9 H HIS 9 10.498 -2.542 -3.074 58 HA HIS 9 HA HIS 9 10.181 -2.523 -5.896 59 HB2 HIS 9 HB2 HIS 9 9.510 -0.679 -3.628 60 HB3 HIS 9 HB3 HIS 9 9.472 -0.055 -5.265 61 HD1 HIS 9 HD1 HIS 9 7.771 -2.584 -3.017 62 HD2 HIS 9 HD2 HIS 9 7.314 -0.912 -6.837 63 HE1 HIS 9 HE1 HIS 9 5.468 -3.308 -3.843 64 H VAL 10 H VAL 10 12.390 -0.997 -3.511 65 HA VAL 10 HA VAL 10 13.581 0.843 -5.200 66 HB VAL 10 HB VAL 10 14.411 -0.657 -2.741 67 HG11 VAL 10 HG11 VAL 10 16.569 -0.476 -3.390 68 HG12 VAL 10 HG12 VAL 10 16.205 0.746 -4.633 69 HG13 VAL 10 HG13 VAL 10 16.366 1.230 -2.927 70 HG21 VAL 10 HG21 VAL 10 12.802 1.400 -2.895 71 HG22 VAL 10 HG22 VAL 10 14.051 1.347 -1.627 72 HG23 VAL 10 HG23 VAL 10 14.307 2.331 -3.089 73 H GLU 11 H GLU 11 14.586 -2.566 -4.436 74 HA GLU 11 HA GLU 11 16.756 -2.641 -6.069 75 HB2 GLU 11 HB2 GLU 11 16.046 -4.406 -4.428 76 HB3 GLU 11 HB3 GLU 11 14.794 -4.917 -5.542 77 HG2 GLU 11 HG2 GLU 11 16.746 -6.370 -5.820 78 HG3 GLU 11 HG3 GLU 11 16.540 -5.411 -7.272 79 HE2 GLU 11 HE2 GLU 11 19.715 -5.595 -6.886 80 H MET 12 H MET 12 13.393 -2.395 -6.931 81 HA MET 12 HA MET 12 14.005 -3.276 -9.636 82 HB2 MET 12 HB2 MET 12 11.620 -3.290 -7.864 83 HB3 MET 12 HB3 MET 12 11.249 -2.682 -9.465 84 HG2 MET 12 HG2 MET 12 12.386 -4.748 -10.439 85 HG3 MET 12 HG3 MET 12 12.553 -5.366 -8.808 86 HE1 MET 12 HE1 MET 12 9.635 -3.747 -7.853 87 HE2 MET 12 HE2 MET 12 8.706 -5.259 -7.710 88 HE3 MET 12 HE3 MET 12 10.387 -5.189 -7.131 89 H GLY 13 H GLY 13 14.713 -0.612 -8.231 90 HA2 GLY 13 HA2 GLY 13 14.433 1.087 -10.404 91 HA3 GLY 13 HA3 GLY 13 13.070 1.412 -9.351 92 H GLY 14 H GLY 14 13.498 1.992 -7.047 93 HA2 GLY 14 HA2 GLY 14 15.902 2.389 -5.842 94 HA3 GLY 14 HA3 GLY 14 15.734 3.795 -6.874 95 H CYS 15 H CYS 15 15.726 4.909 -4.672 96 HA CYS 15 HA CYS 15 13.419 4.544 -3.052 97 HB2 CYS 15 HB2 CYS 15 15.577 6.662 -3.063 98 HB3 CYS 15 HB3 CYS 15 14.276 6.598 -1.890 99 H GLU 16 H GLU 16 14.145 6.127 -6.030 100 HA GLU 16 HA GLU 16 12.256 8.243 -5.636 101 HB2 GLU 16 HB2 GLU 16 13.834 7.361 -8.093 102 HB3 GLU 16 HB3 GLU 16 12.816 8.786 -8.035 103 HG2 GLU 16 HG2 GLU 16 14.895 9.718 -7.506 104 HG3 GLU 16 HG3 GLU 16 14.260 9.413 -5.902 105 HE2 GLU 16 HE2 GLU 16 17.355 7.438 -7.387 106 H ASN 17 H ASN 17 11.666 5.137 -5.709 107 HA ASN 17 HA ASN 17 10.068 4.809 -7.996 108 HB2 ASN 17 HB2 ASN 17 11.064 3.167 -5.935 109 HB3 ASN 17 HB3 ASN 17 9.335 3.155 -5.647 110 HD21 ASN 17 HD21 ASN 17 7.920 2.354 -7.190 111 HD22 ASN 17 HD22 ASN 17 8.424 1.333 -8.496 112 H CYS 18 H CYS 18 9.681 6.221 -4.784 113 HA CYS 18 HA CYS 18 6.956 6.921 -5.453 114 HB2 CYS 18 HB2 CYS 18 7.430 5.823 -2.690 115 HB3 CYS 18 HB3 CYS 18 5.918 6.064 -3.542 116 H HIS 19 H HIS 19 9.713 8.163 -5.259 117 HA HIS 19 HA HIS 19 8.926 10.319 -3.497 118 HB2 HIS 19 HB2 HIS 19 11.569 8.861 -3.226 119 HB3 HIS 19 HB3 HIS 19 11.205 10.405 -2.481 120 HD1 HIS 19 HD1 HIS 19 8.338 9.836 -1.415 121 HD2 HIS 19 HD2 HIS 19 11.571 7.187 -1.051 122 HE1 HIS 19 HE1 HIS 19 7.798 8.316 0.562 123 H ALA 20 H ALA 20 9.373 12.290 -4.411 124 HA ALA 20 HA ALA 20 10.774 12.203 -6.964 125 HB1 ALA 20 HB1 ALA 20 9.621 14.764 -6.113 126 HB2 ALA 20 HB2 ALA 20 9.305 13.803 -7.577 127 HB3 ALA 20 HB3 ALA 20 8.438 13.434 -6.067 128 H ASP 21 H ASP 21 12.885 12.759 -7.094 129 HA ASP 21 HA ASP 21 14.868 13.380 -6.405 130 HB2 ASP 21 HB2 ASP 21 13.215 15.898 -5.945 131 HB3 ASP 21 HB3 ASP 21 14.959 15.904 -5.776 132 HD2 ASP 21 HD2 ASP 21 14.626 17.414 -8.409 133 H GLY 22 H GLY 22 13.498 11.956 -4.332 134 HA2 GLY 22 HA2 GLY 22 13.583 11.525 -2.129 135 HA3 GLY 22 HA3 GLY 22 14.993 12.564 -2.063 136 H GLU 23 H GLU 23 11.439 13.089 -2.676 137 HA GLU 23 HA GLU 23 11.454 14.873 -0.392 138 HB2 GLU 23 HB2 GLU 23 11.668 15.953 -2.878 139 HB3 GLU 23 HB3 GLU 23 9.923 15.811 -2.790 140 HG2 GLU 23 HG2 GLU 23 11.077 16.877 -0.291 141 HG3 GLU 23 HG3 GLU 23 11.477 17.871 -1.678 142 HE2 GLU 23 HE2 GLU 23 7.974 18.303 -0.155 143 HA PRO 24 HA PRO 24 8.149 11.648 -0.200 144 HB2 PRO 24 HB2 PRO 24 8.373 12.684 2.634 145 HB3 PRO 24 HB3 PRO 24 8.277 11.006 2.006 146 HG2 PRO 24 HG2 PRO 24 10.640 12.017 2.835 147 HG3 PRO 24 HG3 PRO 24 10.399 10.853 1.491 148 HD2 PRO 24 HD2 PRO 24 10.973 13.837 1.437 149 HD3 PRO 24 HD3 PRO 24 11.515 12.559 0.307 150 H SER 25 H SER 25 6.077 12.281 -0.791 151 HA SER 25 HA SER 25 5.254 14.842 -0.853 152 HB2 SER 25 HB2 SER 25 3.028 13.992 -1.240 153 HB3 SER 25 HB3 SER 25 4.153 12.844 -1.939 154 HG SER 25 HG SER 25 2.435 12.566 0.293 155 H LYS 26 H LYS 26 3.419 15.925 0.423 156 HA LYS 26 HA LYS 26 3.693 15.248 3.270 157 HB2 LYS 26 HB2 LYS 26 3.581 17.597 3.793 158 HB3 LYS 26 HB3 LYS 26 4.881 17.326 2.650 159 HG2 LYS 26 HG2 LYS 26 3.012 17.851 0.829 160 HG3 LYS 26 HG3 LYS 26 2.180 18.608 2.173 161 HD2 LYS 26 HD2 LYS 26 3.896 20.222 2.502 162 HD3 LYS 26 HD3 LYS 26 5.094 19.266 1.653 163 HE2 LYS 26 HE2 LYS 26 4.151 19.774 -0.495 164 HE3 LYS 26 HE3 LYS 26 2.641 20.328 0.201 165 HZ1 LYS 26 HZ1 LYS 26 3.673 22.333 -0.120 166 HZ2 LYS 26 HZ2 LYS 26 4.299 22.039 1.354 167 H ASP 27 H ASP 27 1.795 14.000 1.533 168 HA ASP 27 HA ASP 27 -0.565 14.885 2.889 169 HB2 ASP 27 HB2 ASP 27 -1.822 14.720 0.585 170 HB3 ASP 27 HB3 ASP 27 -1.008 16.213 1.008 171 HD2 ASP 27 HD2 ASP 27 0.174 16.632 -1.617 172 H GLY 28 H GLY 28 0.523 12.900 0.020 173 HA2 GLY 28 HA2 GLY 28 0.810 10.478 0.544 174 HA3 GLY 28 HA3 GLY 28 -0.792 10.553 1.252 175 H ALA 29 H ALA 29 -1.770 12.542 -0.814 176 HA ALA 29 HA ALA 29 -2.848 10.717 -2.613 177 HB1 ALA 29 HB1 ALA 29 -3.602 13.099 -1.882 178 HB2 ALA 29 HB2 ALA 29 -2.529 13.672 -3.182 179 HB3 ALA 29 HB3 ALA 29 -3.896 12.598 -3.564 180 H TYR 30 H TYR 30 -0.230 13.130 -2.990 181 HA TYR 30 HA TYR 30 0.450 12.678 -5.647 182 HB2 TYR 30 HB2 TYR 30 1.385 14.433 -4.162 183 HB3 TYR 30 HB3 TYR 30 2.325 13.193 -3.313 184 HD1 TYR 30 HD1 TYR 30 1.681 13.845 -6.961 185 HD2 TYR 30 HD2 TYR 30 4.572 13.453 -3.808 186 HE1 TYR 30 HE1 TYR 30 3.515 14.103 -8.610 187 HE2 TYR 30 HE2 TYR 30 6.406 13.712 -5.457 188 HH TYR 30 HH TYR 30 6.654 13.294 -8.102 189 H GLU 31 H GLU 31 1.581 10.848 -2.703 190 HA GLU 31 HA GLU 31 3.248 9.193 -4.222 191 HB2 GLU 31 HB2 GLU 31 2.794 9.663 -1.515 192 HB3 GLU 31 HB3 GLU 31 2.187 8.032 -1.716 193 HG2 GLU 31 HG2 GLU 31 4.300 7.220 -1.801 194 HG3 GLU 31 HG3 GLU 31 4.660 8.229 -3.188 195 HE2 GLU 31 HE2 GLU 31 6.569 9.462 -2.543 196 H PHE 32 H PHE 32 -0.095 8.793 -2.877 197 HA PHE 32 HA PHE 32 -0.594 6.223 -3.536 198 HB2 PHE 32 HB2 PHE 32 -2.209 7.683 -2.394 199 HB3 PHE 32 HB3 PHE 32 -2.234 8.807 -3.738 200 HD1 PHE 32 HD1 PHE 32 -2.586 5.097 -3.750 201 HD2 PHE 32 HD2 PHE 32 -4.436 8.849 -4.465 202 HE1 PHE 32 HE1 PHE 32 -4.596 3.926 -4.694 203 HE2 PHE 32 HE2 PHE 32 -6.446 7.678 -5.409 204 HZ PHE 32 HZ PHE 32 -6.502 5.230 -5.512 205 H GLU 33 H GLU 33 -0.138 8.958 -5.734 206 HA GLU 33 HA GLU 33 -1.443 7.776 -7.921 207 HB2 GLU 33 HB2 GLU 33 0.027 10.217 -7.335 208 HB3 GLU 33 HB3 GLU 33 0.561 9.566 -8.872 209 HG2 GLU 33 HG2 GLU 33 -1.353 11.067 -9.233 210 HG3 GLU 33 HG3 GLU 33 -1.808 9.426 -9.648 211 HE2 GLU 33 HE2 GLU 33 -4.559 10.212 -7.618 212 H GLN 34 H GLN 34 1.954 7.836 -6.722 213 HA GLN 34 HA GLN 34 3.197 6.764 -8.882 214 HB2 GLN 34 HB2 GLN 34 3.726 6.331 -5.912 215 HB3 GLN 34 HB3 GLN 34 4.835 5.813 -7.166 216 HG2 GLN 34 HG2 GLN 34 4.006 8.648 -6.450 217 HG3 GLN 34 HG3 GLN 34 5.621 7.970 -6.486 218 HE21 GLN 34 HE21 GLN 34 4.273 10.281 -7.850 219 HE22 GLN 34 HE22 GLN 34 4.628 10.109 -9.537 220 H CYS 35 H CYS 35 1.193 5.157 -6.389 221 HA CYS 35 HA CYS 35 1.846 2.556 -7.453 222 HB2 CYS 35 HB2 CYS 35 -0.340 2.910 -5.470 223 HB3 CYS 35 HB3 CYS 35 0.884 1.661 -5.593 224 H GLN 36 H GLN 36 0.827 4.142 -9.483 225 HA GLN 36 HA GLN 36 -1.670 2.805 -9.966 226 HB2 GLN 36 HB2 GLN 36 -1.694 5.471 -9.063 227 HB3 GLN 36 HB3 GLN 36 -1.887 5.613 -10.799 228 HG2 GLN 36 HG2 GLN 36 -3.945 4.545 -10.807 229 HG3 GLN 36 HG3 GLN 36 -3.523 3.476 -9.485 230 HE21 GLN 36 HE21 GLN 36 -3.583 7.013 -9.932 231 HE22 GLN 36 HE22 GLN 36 -4.569 7.390 -8.558 232 H SER 37 H SER 37 0.286 1.814 -11.255 233 HA SER 37 HA SER 37 -0.032 2.714 -13.907 234 HB2 SER 37 HB2 SER 37 2.511 3.006 -14.267 235 HB3 SER 37 HB3 SER 37 1.651 4.333 -13.512 236 HG SER 37 HG SER 37 2.388 3.598 -11.434 237 H CYS 38 H CYS 38 2.690 1.100 -12.103 238 HA CYS 38 HA CYS 38 2.729 -1.064 -13.900 239 HB2 CYS 38 HB2 CYS 38 3.929 -1.144 -11.132 240 HB3 CYS 38 HB3 CYS 38 4.490 -1.929 -12.595 241 H HIS 39 H HIS 39 0.593 -0.149 -11.401 242 HA HIS 39 HA HIS 39 -0.211 -2.942 -11.022 243 HB2 HIS 39 HB2 HIS 39 -0.382 -0.599 -9.114 244 HB3 HIS 39 HB3 HIS 39 -1.230 -2.111 -8.862 245 HD1 HIS 39 HD1 HIS 39 0.633 -4.312 -9.127 246 HD2 HIS 39 HD2 HIS 39 1.971 -0.581 -7.753 247 HE1 HIS 39 HE1 HIS 39 2.812 -4.750 -7.874 248 H GLY 40 H GLY 40 -1.956 0.063 -10.121 249 HA2 GLY 40 HA2 GLY 40 -3.502 0.667 -12.202 250 HA3 GLY 40 HA3 GLY 40 -4.236 -0.839 -11.687 251 H SER 41 H SER 41 -6.200 0.346 -11.126 252 HA SER 41 HA SER 41 -5.857 1.996 -8.750 253 HB2 SER 41 HB2 SER 41 -7.122 3.442 -9.957 254 HB3 SER 41 HB3 SER 41 -7.542 2.217 -11.137 255 HG SER 41 HG SER 41 -9.274 1.521 -9.842 256 H LEU 42 H LEU 42 -7.273 1.619 -6.910 257 HA LEU 42 HA LEU 42 -7.729 -1.048 -6.338 258 HB2 LEU 42 HB2 LEU 42 -9.059 1.358 -5.088 259 HB3 LEU 42 HB3 LEU 42 -8.895 -0.235 -4.378 260 HG LEU 42 HG LEU 42 -6.360 1.088 -5.180 261 HD11 LEU 42 HD11 LEU 42 -8.173 2.194 -3.040 262 HD12 LEU 42 HD12 LEU 42 -6.403 2.357 -2.945 263 HD13 LEU 42 HD13 LEU 42 -7.288 3.054 -4.323 264 HD21 LEU 42 HD21 LEU 42 -6.226 0.209 -2.541 265 HD22 LEU 42 HD22 LEU 42 -7.293 -0.966 -3.347 266 HD23 LEU 42 HD23 LEU 42 -5.662 -0.656 -3.991 267 H ALA 43 H ALA 43 -9.760 1.393 -7.943 268 HA ALA 43 HA ALA 43 -12.165 -0.098 -7.717 269 HB1 ALA 43 HB1 ALA 43 -11.304 2.463 -8.624 270 HB2 ALA 43 HB2 ALA 43 -12.136 1.678 -9.988 271 HB3 ALA 43 HB3 ALA 43 -12.971 1.873 -8.428 272 H GLU 44 H GLU 44 -9.279 -0.735 -9.328 273 HA GLU 44 HA GLU 44 -10.740 -2.258 -11.344 274 HB2 GLU 44 HB2 GLU 44 -8.109 -0.760 -11.549 275 HB3 GLU 44 HB3 GLU 44 -8.477 -2.076 -12.645 276 HG2 GLU 44 HG2 GLU 44 -10.433 -0.946 -13.509 277 HG3 GLU 44 HG3 GLU 44 -10.413 0.236 -12.216 278 HE2 GLU 44 HE2 GLU 44 -7.648 0.609 -15.125 279 H MET 45 H MET 45 -9.917 -2.923 -8.514 280 HA MET 45 HA MET 45 -8.085 -5.098 -9.180 281 HB2 MET 45 HB2 MET 45 -8.553 -3.589 -6.549 282 HB3 MET 45 HB3 MET 45 -7.548 -5.021 -6.666 283 HG2 MET 45 HG2 MET 45 -6.366 -3.623 -8.635 284 HG3 MET 45 HG3 MET 45 -7.048 -2.256 -7.776 285 HE1 MET 45 HE1 MET 45 -5.032 -1.311 -7.542 286 HE2 MET 45 HE2 MET 45 -4.037 -1.491 -6.078 287 HE3 MET 45 HE3 MET 45 -3.589 -2.352 -7.570 288 H ASP 46 H ASP 46 -8.396 -6.739 -6.964 289 HA ASP 46 HA ASP 46 -10.571 -8.203 -7.589 290 HB2 ASP 46 HB2 ASP 46 -10.189 -8.595 -4.802 291 HB3 ASP 46 HB3 ASP 46 -9.499 -9.539 -6.107 292 HD2 ASP 46 HD2 ASP 46 -6.610 -7.255 -5.951 293 H ASP 47 H ASP 47 -12.310 -8.770 -5.608 294 HA ASP 47 HA ASP 47 -13.823 -6.371 -5.396 295 HB2 ASP 47 HB2 ASP 47 -15.611 -7.776 -4.700 296 HB3 ASP 47 HB3 ASP 47 -14.713 -8.753 -5.845 297 HD2 ASP 47 HD2 ASP 47 -14.491 -11.283 -3.954 298 H ASN 48 H ASN 48 -11.186 -7.343 -3.752 299 HA ASN 48 HA ASN 48 -12.286 -6.920 -1.105 300 HB2 ASN 48 HB2 ASN 48 -9.423 -7.660 -1.899 301 HB3 ASN 48 HB3 ASN 48 -10.103 -7.736 -0.285 302 HD21 ASN 48 HD21 ASN 48 -8.956 -9.936 -1.163 303 HD22 ASN 48 HD22 ASN 48 -10.093 -11.170 -1.594 304 H HIS 49 H HIS 49 -10.271 -5.535 -3.679 305 HA HIS 49 HA HIS 49 -9.255 -3.467 -1.925 306 HB2 HIS 49 HB2 HIS 49 -8.719 -4.288 -4.774 307 HB3 HIS 49 HB3 HIS 49 -8.192 -2.727 -4.179 308 HD1 HIS 49 HD1 HIS 49 -7.680 -6.445 -3.534 309 HD2 HIS 49 HD2 HIS 49 -5.886 -2.761 -2.636 310 HE1 HIS 49 HE1 HIS 49 -5.433 -6.989 -2.454 311 H LYS 50 H LYS 50 -11.553 -3.971 -4.637 312 HA LYS 50 HA LYS 50 -12.119 -1.396 -5.306 313 HB2 LYS 50 HB2 LYS 50 -13.681 -3.947 -5.264 314 HB3 LYS 50 HB3 LYS 50 -14.551 -2.457 -5.567 315 HG2 LYS 50 HG2 LYS 50 -12.592 -1.970 -7.288 316 HG3 LYS 50 HG3 LYS 50 -12.308 -3.697 -7.186 317 HD2 LYS 50 HD2 LYS 50 -15.039 -2.489 -7.819 318 HD3 LYS 50 HD3 LYS 50 -13.890 -2.961 -9.055 319 HE2 LYS 50 HE2 LYS 50 -13.925 -5.299 -8.262 320 HE3 LYS 50 HE3 LYS 50 -14.951 -4.862 -6.911 321 HZ1 LYS 50 HZ1 LYS 50 -15.701 -5.327 -9.639 322 HZ2 LYS 50 HZ2 LYS 50 -16.642 -5.322 -8.310 323 HA PRO 51 HA PRO 51 -15.712 -1.646 -1.764 324 HB2 PRO 51 HB2 PRO 51 -13.760 -3.113 0.049 325 HB3 PRO 51 HB3 PRO 51 -15.552 -3.149 -0.007 326 HG2 PRO 51 HG2 PRO 51 -13.819 -4.971 -1.189 327 HG3 PRO 51 HG3 PRO 51 -15.535 -4.829 -1.692 328 HD2 PRO 51 HD2 PRO 51 -13.143 -4.198 -3.220 329 HD3 PRO 51 HD3 PRO 51 -14.844 -3.923 -3.704 330 H HIS 52 H HIS 52 -12.121 -1.593 -1.055 331 HA HIS 52 HA HIS 52 -12.470 0.652 0.668 332 HB2 HIS 52 HB2 HIS 52 -10.036 -0.761 -0.442 333 HB3 HIS 52 HB3 HIS 52 -9.930 0.628 0.620 334 HD1 HIS 52 HD1 HIS 52 -9.837 -2.927 0.767 335 HD2 HIS 52 HD2 HIS 52 -11.595 0.041 3.153 336 HE1 HIS 52 HE1 HIS 52 -10.274 -4.003 3.039 337 H ASP 53 H ASP 53 -11.189 0.072 -2.665 338 HA ASP 53 HA ASP 53 -10.089 2.080 -3.595 339 HB2 ASP 53 HB2 ASP 53 -11.411 0.515 -5.020 340 HB3 ASP 53 HB3 ASP 53 -12.881 1.380 -4.619 341 HD2 ASP 53 HD2 ASP 53 -9.909 3.203 -5.728 342 H GLY 54 H GLY 54 -10.007 4.142 -2.629 343 HA2 GLY 54 HA2 GLY 54 -10.754 6.327 -2.545 344 HA3 GLY 54 HA3 GLY 54 -12.399 5.801 -2.840 345 H LEU 55 H LEU 55 -9.873 4.942 -0.361 346 HA LEU 55 HA LEU 55 -11.505 6.083 1.713 347 HB2 LEU 55 HB2 LEU 55 -11.452 3.178 1.173 348 HB3 LEU 55 HB3 LEU 55 -11.189 3.642 2.842 349 HG LEU 55 HG LEU 55 -13.576 4.460 1.161 350 HD11 LEU 55 HD11 LEU 55 -14.814 2.917 2.734 351 HD12 LEU 55 HD12 LEU 55 -13.758 2.128 1.538 352 HD13 LEU 55 HD13 LEU 55 -13.226 2.283 3.230 353 HD21 LEU 55 HD21 LEU 55 -14.483 5.046 3.500 354 HD22 LEU 55 HD22 LEU 55 -12.777 5.048 4.005 355 HD23 LEU 55 HD23 LEU 55 -13.329 6.163 2.733 356 H LEU 56 H LEU 56 -8.929 3.534 1.407 357 HA LEU 56 HA LEU 56 -7.156 5.399 2.819 358 HB2 LEU 56 HB2 LEU 56 -6.379 3.748 4.247 359 HB3 LEU 56 HB3 LEU 56 -8.121 3.558 4.257 360 HG LEU 56 HG LEU 56 -6.655 1.878 2.297 361 HD11 LEU 56 HD11 LEU 56 -6.591 0.493 4.808 362 HD12 LEU 56 HD12 LEU 56 -5.261 0.850 3.680 363 HD13 LEU 56 HD13 LEU 56 -5.688 2.020 4.953 364 HD21 LEU 56 HD21 LEU 56 -8.477 0.577 2.431 365 HD22 LEU 56 HD22 LEU 56 -8.547 0.674 4.206 366 HD23 LEU 56 HD23 LEU 56 -9.223 1.990 3.216 367 H MET 57 H MET 57 -4.880 5.189 2.288 368 HA MET 57 HA MET 57 -4.556 4.590 -0.453 369 HB2 MET 57 HB2 MET 57 -3.109 5.929 1.727 370 HB3 MET 57 HB3 MET 57 -2.005 4.924 0.809 371 HG2 MET 57 HG2 MET 57 -2.496 6.070 -1.252 372 HG3 MET 57 HG3 MET 57 -3.936 6.818 -0.590 373 HE1 MET 57 HE1 MET 57 -3.782 7.944 1.705 374 HE2 MET 57 HE2 MET 57 -2.582 9.207 2.070 375 HE3 MET 57 HE3 MET 57 -3.710 9.417 0.709 376 H CYS 58 H CYS 58 -2.356 3.334 -1.070 377 HA CYS 58 HA CYS 58 -2.838 0.664 -0.422 378 HB2 CYS 58 HB2 CYS 58 -0.250 1.716 -1.551 379 HB3 CYS 58 HB3 CYS 58 -0.977 0.139 -1.785 380 H ALA 59 H ALA 59 0.186 2.603 0.198 381 HA ALA 59 HA ALA 59 1.439 1.011 1.933 382 HB1 ALA 59 HB1 ALA 59 1.100 4.026 2.211 383 HB2 ALA 59 HB2 ALA 59 2.432 3.053 2.881 384 HB3 ALA 59 HB3 ALA 59 2.243 3.209 1.118 385 H ASP 60 H ASP 60 -1.154 3.388 2.838 386 HA ASP 60 HA ASP 60 -1.265 3.195 5.431 387 HB2 ASP 60 HB2 ASP 60 -3.531 2.965 3.420 388 HB3 ASP 60 HB3 ASP 60 -3.877 3.015 5.137 389 HD2 ASP 60 HD2 ASP 60 -1.255 4.900 4.054 390 H CYS 61 H CYS 61 -2.018 0.585 3.112 391 HA CYS 61 HA CYS 61 -2.742 -1.161 5.344 392 HB2 CYS 61 HB2 CYS 61 -3.711 -0.911 2.594 393 HB3 CYS 61 HB3 CYS 61 -3.250 -2.556 2.983 394 H HIS 62 H HIS 62 -0.869 -1.013 2.226 395 HA HIS 62 HA HIS 62 0.716 -3.264 3.082 396 HB2 HIS 62 HB2 HIS 62 0.764 -1.583 0.561 397 HB3 HIS 62 HB3 HIS 62 1.798 -2.968 0.849 398 HD1 HIS 62 HD1 HIS 62 0.193 -5.241 1.611 399 HD2 HIS 62 HD2 HIS 62 -1.427 -2.286 -0.888 400 HE1 HIS 62 HE1 HIS 62 -1.773 -6.327 0.400 401 H ALA 63 H ALA 63 1.183 -1.610 5.046 402 HA ALA 63 HA ALA 63 2.765 0.541 4.905 403 HB1 ALA 63 HB1 ALA 63 1.891 -0.697 6.947 404 HB2 ALA 63 HB2 ALA 63 3.297 -1.779 6.796 405 HB3 ALA 63 HB3 ALA 63 3.539 -0.042 7.102 406 HA PRO 64 HA PRO 64 6.031 -1.178 2.301 407 HB2 PRO 64 HB2 PRO 64 6.665 1.737 2.078 408 HB3 PRO 64 HB3 PRO 64 6.291 0.525 0.810 409 HG2 PRO 64 HG2 PRO 64 4.262 2.403 1.372 410 HG3 PRO 64 HG3 PRO 64 4.101 0.664 0.960 411 HD2 PRO 64 HD2 PRO 64 4.269 1.991 3.733 412 HD3 PRO 64 HD3 PRO 64 2.969 0.938 3.098 413 H HIS 65 H HIS 65 6.577 1.789 4.392 414 HA HIS 65 HA HIS 65 9.201 0.798 4.998 415 HB2 HIS 65 HB2 HIS 65 7.649 3.274 5.764 416 HB3 HIS 65 HB3 HIS 65 9.208 2.902 6.472 417 HD1 HIS 65 HD1 HIS 65 10.980 2.114 4.223 418 HD2 HIS 65 HD2 HIS 65 8.046 5.078 3.770 419 HE1 HIS 65 HE1 HIS 65 11.703 3.537 2.233 420 H GLU 66 H GLU 66 7.721 -1.237 5.793 421 HA GLU 66 HA GLU 66 8.247 -1.443 8.478 422 HB2 GLU 66 HB2 GLU 66 6.384 0.109 8.860 423 HB3 GLU 66 HB3 GLU 66 5.313 -0.869 7.876 424 HG2 GLU 66 HG2 GLU 66 4.866 -2.283 9.601 425 HG3 GLU 66 HG3 GLU 66 6.568 -2.503 9.957 426 HE2 GLU 66 HE2 GLU 66 7.504 -0.519 11.054 427 H ALA 67 H ALA 67 5.543 -2.419 6.237 428 HA ALA 67 HA ALA 67 5.598 -5.109 7.033 429 HB1 ALA 67 HB1 ALA 67 3.819 -3.633 5.752 430 HB2 ALA 67 HB2 ALA 67 4.674 -4.223 4.306 431 HB3 ALA 67 HB3 ALA 67 3.930 -5.381 5.435 432 H LYS 68 H LYS 68 6.052 -6.940 5.364 433 HA LYS 68 HA LYS 68 8.467 -6.286 3.838 434 HB2 LYS 68 HB2 LYS 68 9.059 -8.781 4.702 435 HB3 LYS 68 HB3 LYS 68 9.632 -7.312 5.465 436 HG2 LYS 68 HG2 LYS 68 7.756 -7.358 7.070 437 HG3 LYS 68 HG3 LYS 68 7.050 -8.740 6.256 438 HD2 LYS 68 HD2 LYS 68 9.830 -8.763 7.522 439 HD3 LYS 68 HD3 LYS 68 8.384 -9.309 8.349 440 HE2 LYS 68 HE2 LYS 68 8.570 -10.539 5.696 441 HE3 LYS 68 HE3 LYS 68 10.037 -10.829 6.610 442 HZ1 LYS 68 HZ1 LYS 68 8.739 -12.507 7.437 443 HZ2 LYS 68 HZ2 LYS 68 8.245 -11.363 8.486 444 H VAL 69 H VAL 69 8.608 -7.270 1.833 445 HA VAL 69 HA VAL 69 6.457 -7.933 0.432 446 HB VAL 69 HB VAL 69 9.309 -8.795 0.318 447 HG11 VAL 69 HG11 VAL 69 8.494 -10.810 -0.505 448 HG12 VAL 69 HG12 VAL 69 7.062 -10.052 -1.242 449 HG13 VAL 69 HG13 VAL 69 8.664 -9.840 -1.988 450 HG21 VAL 69 HG21 VAL 69 8.837 -6.603 -0.494 451 HG22 VAL 69 HG22 VAL 69 9.107 -7.631 -1.922 452 HG23 VAL 69 HG23 VAL 69 7.451 -7.181 -1.450 453 H GLY 70 H GLY 70 4.956 -9.548 0.266 454 HA2 GLY 70 HA2 GLY 70 4.088 -11.654 0.459 455 HA3 GLY 70 HA3 GLY 70 5.539 -12.198 1.278 456 H GLU 71 H GLU 71 3.583 -9.306 2.165 457 HA GLU 71 HA GLU 71 3.048 -10.658 4.691 458 HB2 GLU 71 HB2 GLU 71 4.107 -8.056 4.070 459 HB3 GLU 71 HB3 GLU 71 2.556 -7.820 4.850 460 HG2 GLU 71 HG2 GLU 71 4.207 -9.919 6.142 461 HG3 GLU 71 HG3 GLU 71 4.961 -8.337 6.161 462 HE2 GLU 71 HE2 GLU 71 4.333 -7.821 8.493 463 H LYS 72 H LYS 72 0.924 -10.806 5.474 464 HA LYS 72 HA LYS 72 -1.122 -9.780 3.631 465 HB2 LYS 72 HB2 LYS 72 -0.904 -12.367 5.155 466 HB3 LYS 72 HB3 LYS 72 -2.476 -11.732 4.714 467 HG2 LYS 72 HG2 LYS 72 -0.884 -11.468 2.372 468 HG3 LYS 72 HG3 LYS 72 -0.481 -13.043 3.026 469 HD2 LYS 72 HD2 LYS 72 -2.779 -13.775 2.972 470 HD3 LYS 72 HD3 LYS 72 -3.374 -12.145 2.728 471 HE2 LYS 72 HE2 LYS 72 -3.158 -12.327 0.473 472 HE3 LYS 72 HE3 LYS 72 -1.478 -12.806 0.616 473 HZ1 LYS 72 HZ1 LYS 72 -2.545 -15.080 1.316 474 HZ2 LYS 72 HZ2 LYS 72 -3.854 -14.531 0.517 475 HA PRO 73 HA PRO 73 -1.415 -6.950 7.177 476 HB2 PRO 73 HB2 PRO 73 -3.626 -6.195 5.212 477 HB3 PRO 73 HB3 PRO 73 -2.574 -5.158 6.229 478 HG2 PRO 73 HG2 PRO 73 -1.980 -5.615 3.599 479 HG3 PRO 73 HG3 PRO 73 -0.672 -5.507 4.823 480 HD2 PRO 73 HD2 PRO 73 -1.860 -7.909 3.421 481 HD3 PRO 73 HD3 PRO 73 -0.208 -7.677 4.070 482 H THR 74 H THR 74 -3.117 -6.690 8.832 483 HA THR 74 HA THR 74 -5.139 -8.823 8.628 484 HB THR 74 HB THR 74 -4.964 -8.870 11.123 485 HG1 THR 74 HG1 THR 74 -2.719 -7.061 10.679 486 HG21 THR 74 HG21 THR 74 -2.208 -8.882 9.782 487 HG22 THR 74 HG22 THR 74 -2.595 -9.608 11.360 488 HG23 THR 74 HG23 THR 74 -3.305 -10.280 9.873 489 H CYS 75 H CYS 75 -7.282 -8.389 8.981 490 HA CYS 75 HA CYS 75 -8.068 -5.724 8.557 491 HB2 CYS 75 HB2 CYS 75 -9.869 -7.922 9.559 492 HB3 CYS 75 HB3 CYS 75 -10.290 -6.524 8.590 493 H ASP 76 H ASP 76 -7.942 -7.949 11.401 494 HA ASP 76 HA ASP 76 -9.318 -6.672 13.246 495 HB2 ASP 76 HB2 ASP 76 -7.120 -7.219 14.754 496 HB3 ASP 76 HB3 ASP 76 -8.237 -8.454 14.209 497 HD2 ASP 76 HD2 ASP 76 -5.127 -7.360 14.076 498 H THR 77 H THR 77 -6.328 -5.578 11.670 499 HA THR 77 HA THR 77 -5.412 -3.708 13.503 500 HB THR 77 HB THR 77 -5.347 -3.340 10.480 501 HG1 THR 77 HG1 THR 77 -4.093 -5.278 12.288 502 HG21 THR 77 HG21 THR 77 -2.766 -3.319 11.586 503 HG22 THR 77 HG22 THR 77 -3.712 -1.875 11.152 504 HG23 THR 77 HG23 THR 77 -3.747 -2.494 12.820 505 H CYS 78 H CYS 78 -7.977 -3.420 10.992 506 HA CYS 78 HA CYS 78 -8.609 -0.826 12.201 507 HB2 CYS 78 HB2 CYS 78 -8.844 -1.791 9.350 508 HB3 CYS 78 HB3 CYS 78 -9.831 -0.467 9.937 509 H HIS 79 H HIS 79 -9.926 -3.817 10.615 510 HA HIS 79 HA HIS 79 -12.490 -3.291 11.873 511 HB2 HIS 79 HB2 HIS 79 -11.746 -5.512 9.955 512 HB3 HIS 79 HB3 HIS 79 -13.359 -5.013 10.426 513 HD1 HIS 79 HD1 HIS 79 -13.508 -2.090 9.936 514 HD2 HIS 79 HD2 HIS 79 -11.299 -4.622 7.426 515 HE1 HIS 79 HE1 HIS 79 -13.276 -0.865 7.710 516 H ASP 80 H ASP 80 -12.102 -3.720 14.075 517 HA ASP 80 HA ASP 80 -10.895 -6.247 14.716 518 HB2 ASP 80 HB2 ASP 80 -10.925 -5.458 17.011 519 HB3 ASP 80 HB3 ASP 80 -10.383 -4.136 15.997 520 HD2 ASP 80 HD2 ASP 80 -11.300 -3.596 18.396 521 H ASP 81 H ASP 81 -13.443 -6.333 13.291 522 HA ASP 81 HA ASP 81 -15.263 -7.112 15.425 523 HB2 ASP 81 HB2 ASP 81 -17.066 -6.838 13.799 524 HB3 ASP 81 HB3 ASP 81 -16.086 -5.386 13.807 525 HD2 ASP 81 HD2 ASP 81 -17.447 -7.636 11.919 526 H GLY 82 H GLY 82 -12.878 -8.588 14.074 527 HA2 GLY 82 HA2 GLY 82 -12.631 -10.891 13.910 528 HA3 GLY 82 HA3 GLY 82 -14.332 -11.067 13.526 529 H ARG 83 H ARG 83 -13.772 -8.531 11.633 530 HA ARG 83 HA ARG 83 -13.988 -9.638 9.292 531 HB2 ARG 83 HB2 ARG 83 -13.036 -7.116 10.262 532 HB3 ARG 83 HB3 ARG 83 -11.926 -7.595 8.994 533 HG2 ARG 83 HG2 ARG 83 -13.932 -6.261 8.185 534 HG3 ARG 83 HG3 ARG 83 -13.707 -7.795 7.370 535 HD2 ARG 83 HD2 ARG 83 -15.756 -8.509 8.041 536 HD3 ARG 83 HD3 ARG 83 -15.344 -8.240 9.723 537 HE ARG 83 HE ARG 83 -16.394 -6.121 9.647 538 H THR 84 H THR 84 -12.818 -10.912 7.842 539 HA THR 84 HA THR 84 -9.947 -11.243 8.384 540 HB THR 84 HB THR 84 -10.414 -13.729 7.807 541 HG1 THR 84 HG1 THR 84 -13.069 -12.764 8.589 542 HG21 THR 84 HG21 THR 84 -12.030 -13.623 10.171 543 HG22 THR 84 HG22 THR 84 -10.288 -13.975 10.074 544 HG23 THR 84 HG23 THR 84 -10.846 -12.301 10.309 545 H ALA 85 H ALA 85 -8.688 -12.001 6.532 546 HA ALA 85 HA ALA 85 -9.383 -10.560 4.225 547 HB1 ALA 85 HB1 ALA 85 -7.426 -12.476 3.550 548 HB2 ALA 85 HB2 ALA 85 -7.152 -10.799 4.081 549 HB3 ALA 85 HB3 ALA 85 -7.163 -12.120 5.274 550 H LYS 86 H LYS 86 -9.699 -11.467 2.017 551 HA LYS 86 HA LYS 86 -11.004 -14.091 2.095 552 HB2 LYS 86 HB2 LYS 86 -12.656 -12.175 2.188 553 HB3 LYS 86 HB3 LYS 86 -12.101 -11.699 0.596 554 HG2 LYS 86 HG2 LYS 86 -12.566 -14.236 -0.031 555 HG3 LYS 86 HG3 LYS 86 -13.562 -14.226 1.410 556 HD2 LYS 86 HD2 LYS 86 -15.026 -12.549 0.541 557 HD3 LYS 86 HD3 LYS 86 -13.874 -12.045 -0.680 558 HE2 LYS 86 HE2 LYS 86 -14.557 -13.653 -2.157 559 HE3 LYS 86 HE3 LYS 86 -14.576 -14.903 -0.929 560 HZ1 LYS 86 HZ1 LYS 86 -16.751 -14.310 -0.293 561 HZ2 LYS 86 HZ2 LYS 86 -16.699 -12.845 -1.002 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 11.347 -15.175 2.819 2 HA ALA 1 HA ALA 1 13.275 -13.957 3.056 3 HB1 ALA 1 HB1 ALA 1 12.049 -13.617 0.821 4 HB2 ALA 1 HB2 ALA 1 11.581 -12.019 1.448 5 HB3 ALA 1 HB3 ALA 1 13.302 -12.423 1.237 6 H ASP 2 H ASP 2 14.148 -11.512 3.286 7 HA ASP 2 HA ASP 2 12.554 -10.262 5.375 8 HB2 ASP 2 HB2 ASP 2 15.264 -11.402 5.529 9 HB3 ASP 2 HB3 ASP 2 15.260 -9.708 5.977 10 HD2 ASP 2 HD2 ASP 2 15.324 -10.359 8.640 11 H GLU 3 H GLU 3 11.892 -8.597 3.858 12 HA GLU 3 HA GLU 3 13.753 -6.526 3.545 13 HB2 GLU 3 HB2 GLU 3 13.683 -6.450 1.010 14 HB3 GLU 3 HB3 GLU 3 14.644 -7.754 1.677 15 HG2 GLU 3 HG2 GLU 3 11.826 -8.542 1.324 16 HG3 GLU 3 HG3 GLU 3 12.545 -8.009 -0.182 17 HE2 GLU 3 HE2 GLU 3 13.849 -10.396 -1.045 18 H THR 4 H THR 4 12.555 -4.676 3.726 19 HA THR 4 HA THR 4 9.778 -4.743 3.874 20 HB THR 4 HB THR 4 10.164 -2.164 3.691 21 HG1 THR 4 HG1 THR 4 12.197 -2.672 2.402 22 HG21 THR 4 HG21 THR 4 11.447 -2.049 5.822 23 HG22 THR 4 HG22 THR 4 10.215 -3.331 5.915 24 HG23 THR 4 HG23 THR 4 11.921 -3.754 5.634 25 H LEU 5 H LEU 5 8.214 -3.464 2.531 26 HA LEU 5 HA LEU 5 8.312 -4.463 -0.104 27 HB2 LEU 5 HB2 LEU 5 6.338 -3.822 1.529 28 HB3 LEU 5 HB3 LEU 5 6.458 -2.273 0.719 29 HG LEU 5 HG LEU 5 6.436 -4.083 -1.388 30 HD11 LEU 5 HD11 LEU 5 4.127 -4.972 0.278 31 HD12 LEU 5 HD12 LEU 5 4.994 -5.811 -1.031 32 HD13 LEU 5 HD13 LEU 5 5.720 -5.703 0.590 33 HD21 LEU 5 HD21 LEU 5 4.048 -3.276 -1.662 34 HD22 LEU 5 HD22 LEU 5 4.264 -2.403 -0.126 35 HD23 LEU 5 HD23 LEU 5 5.298 -2.016 -1.522 36 H ALA 6 H ALA 6 8.889 -1.232 1.387 37 HA ALA 6 HA ALA 6 9.120 0.228 -0.944 38 HB1 ALA 6 HB1 ALA 6 10.756 0.585 1.595 39 HB2 ALA 6 HB2 ALA 6 10.274 1.840 0.428 40 HB3 ALA 6 HB3 ALA 6 9.045 1.053 1.448 41 H GLU 7 H GLU 7 11.442 -1.945 0.716 42 HA GLU 7 HA GLU 7 13.633 -1.173 -0.838 43 HB2 GLU 7 HB2 GLU 7 13.852 -2.322 1.341 44 HB3 GLU 7 HB3 GLU 7 13.091 -3.759 0.687 45 HG2 GLU 7 HG2 GLU 7 15.333 -4.338 0.430 46 HG3 GLU 7 HG3 GLU 7 15.028 -3.609 -1.134 47 HE2 GLU 7 HE2 GLU 7 17.737 -3.292 -0.283 48 H PHE 8 H PHE 8 11.537 -4.150 -0.961 49 HA PHE 8 HA PHE 8 12.571 -5.368 -3.120 50 HB2 PHE 8 HB2 PHE 8 10.642 -6.170 -1.759 51 HB3 PHE 8 HB3 PHE 8 9.656 -4.827 -2.302 52 HD1 PHE 8 HD1 PHE 8 11.480 -7.800 -3.614 53 HD2 PHE 8 HD2 PHE 8 8.236 -5.110 -4.118 54 HE1 PHE 8 HE1 PHE 8 10.610 -9.203 -5.504 55 HE2 PHE 8 HE2 PHE 8 7.367 -6.514 -6.009 56 HZ PHE 8 HZ PHE 8 8.564 -8.543 -6.679 57 H HIS 9 H HIS 9 10.511 -2.435 -3.088 58 HA HIS 9 HA HIS 9 10.147 -2.473 -5.913 59 HB2 HIS 9 HB2 HIS 9 9.467 -0.612 -3.663 60 HB3 HIS 9 HB3 HIS 9 9.425 0.001 -5.305 61 HD1 HIS 9 HD1 HIS 9 7.739 -2.520 -3.036 62 HD2 HIS 9 HD2 HIS 9 7.274 -0.887 -6.872 63 HE1 HIS 9 HE1 HIS 9 5.442 -3.266 -3.857 64 H VAL 10 H VAL 10 12.378 -0.937 -3.564 65 HA VAL 10 HA VAL 10 13.537 0.916 -5.261 66 HB VAL 10 HB VAL 10 14.378 -0.582 -2.812 67 HG11 VAL 10 HG11 VAL 10 16.421 -0.420 -4.202 68 HG12 VAL 10 HG12 VAL 10 16.186 1.341 -4.316 69 HG13 VAL 10 HG13 VAL 10 16.515 0.587 -2.737 70 HG21 VAL 10 HG21 VAL 10 14.153 2.393 -3.362 71 HG22 VAL 10 HG22 VAL 10 12.824 1.386 -2.739 72 HG23 VAL 10 HG23 VAL 10 14.310 1.590 -1.782 73 H GLU 11 H GLU 11 14.564 -2.495 -4.536 74 HA GLU 11 HA GLU 11 16.700 -2.543 -6.222 75 HB2 GLU 11 HB2 GLU 11 15.985 -4.307 -4.537 76 HB3 GLU 11 HB3 GLU 11 14.804 -4.873 -5.702 77 HG2 GLU 11 HG2 GLU 11 16.621 -6.281 -6.168 78 HG3 GLU 11 HG3 GLU 11 16.853 -5.016 -7.358 79 HE2 GLU 11 HE2 GLU 11 19.725 -5.802 -4.962 80 H MET 12 H MET 12 13.321 -2.316 -6.993 81 HA MET 12 HA MET 12 13.849 -3.232 -9.703 82 HB2 MET 12 HB2 MET 12 11.565 -3.311 -7.856 83 HB3 MET 12 HB3 MET 12 11.089 -2.543 -9.357 84 HG2 MET 12 HG2 MET 12 11.051 -4.544 -10.433 85 HG3 MET 12 HG3 MET 12 12.713 -4.869 -9.981 86 HE1 MET 12 HE1 MET 12 9.403 -4.224 -8.389 87 HE2 MET 12 HE2 MET 12 9.044 -5.638 -7.369 88 HE3 MET 12 HE3 MET 12 10.172 -4.388 -6.792 89 H GLY 13 H GLY 13 14.591 -0.545 -8.324 90 HA2 GLY 13 HA2 GLY 13 14.291 1.127 -10.518 91 HA3 GLY 13 HA3 GLY 13 12.944 1.469 -9.450 92 H GLY 14 H GLY 14 13.441 1.996 -7.119 93 HA2 GLY 14 HA2 GLY 14 15.847 2.420 -5.965 94 HA3 GLY 14 HA3 GLY 14 15.681 3.817 -7.010 95 H CYS 15 H CYS 15 15.706 4.964 -4.830 96 HA CYS 15 HA CYS 15 13.421 4.636 -3.171 97 HB2 CYS 15 HB2 CYS 15 15.586 6.744 -3.246 98 HB3 CYS 15 HB3 CYS 15 14.305 6.700 -2.051 99 H GLU 16 H GLU 16 14.190 6.271 -6.143 100 HA GLU 16 HA GLU 16 12.257 8.343 -5.757 101 HB2 GLU 16 HB2 GLU 16 14.062 7.516 -8.053 102 HB3 GLU 16 HB3 GLU 16 12.821 8.733 -8.278 103 HG2 GLU 16 HG2 GLU 16 14.151 9.437 -5.857 104 HG3 GLU 16 HG3 GLU 16 15.422 8.983 -6.975 105 HE2 GLU 16 HE2 GLU 16 15.846 11.630 -7.458 106 H ASN 17 H ASN 17 11.725 5.220 -5.895 107 HA ASN 17 HA ASN 17 10.170 4.887 -8.200 108 HB2 ASN 17 HB2 ASN 17 11.211 3.152 -6.425 109 HB3 ASN 17 HB3 ASN 17 9.645 3.322 -5.657 110 HD21 ASN 17 HD21 ASN 17 7.724 3.053 -7.050 111 HD22 ASN 17 HD22 ASN 17 7.748 1.839 -8.286 112 H CYS 18 H CYS 18 9.675 6.225 -4.954 113 HA CYS 18 HA CYS 18 6.962 6.921 -5.708 114 HB2 CYS 18 HB2 CYS 18 7.340 5.910 -2.911 115 HB3 CYS 18 HB3 CYS 18 5.881 6.009 -3.877 116 H HIS 19 H HIS 19 9.760 8.143 -5.390 117 HA HIS 19 HA HIS 19 8.892 10.309 -3.659 118 HB2 HIS 19 HB2 HIS 19 11.550 8.880 -3.400 119 HB3 HIS 19 HB3 HIS 19 11.193 10.432 -2.669 120 HD1 HIS 19 HD1 HIS 19 8.316 9.848 -1.599 121 HD2 HIS 19 HD2 HIS 19 11.589 7.259 -1.179 122 HE1 HIS 19 HE1 HIS 19 7.797 8.360 0.408 123 H ALA 20 H ALA 20 9.369 12.317 -4.504 124 HA ALA 20 HA ALA 20 10.703 12.277 -7.094 125 HB1 ALA 20 HB1 ALA 20 8.498 13.305 -6.993 126 HB2 ALA 20 HB2 ALA 20 9.009 14.354 -5.649 127 HB3 ALA 20 HB3 ALA 20 9.715 14.574 -7.268 128 H ASP 21 H ASP 21 12.796 12.886 -7.303 129 HA ASP 21 HA ASP 21 14.799 13.503 -6.687 130 HB2 ASP 21 HB2 ASP 21 13.206 15.740 -7.027 131 HB3 ASP 21 HB3 ASP 21 13.875 16.050 -5.438 132 HD2 ASP 21 HD2 ASP 21 16.839 17.077 -6.562 133 H GLY 22 H GLY 22 13.372 11.977 -4.625 134 HA2 GLY 22 HA2 GLY 22 13.568 11.379 -2.469 135 HA3 GLY 22 HA3 GLY 22 15.047 12.319 -2.420 136 H GLU 23 H GLU 23 11.501 13.088 -2.756 137 HA GLU 23 HA GLU 23 11.749 14.682 -0.356 138 HB2 GLU 23 HB2 GLU 23 12.083 16.066 -2.566 139 HB3 GLU 23 HB3 GLU 23 10.354 15.867 -2.772 140 HG2 GLU 23 HG2 GLU 23 9.877 16.989 -0.675 141 HG3 GLU 23 HG3 GLU 23 11.558 16.931 -0.182 142 HE2 GLU 23 HE2 GLU 23 12.739 19.174 -1.083 143 HA PRO 24 HA PRO 24 8.243 11.648 -0.318 144 HB2 PRO 24 HB2 PRO 24 8.602 12.584 2.551 145 HB3 PRO 24 HB3 PRO 24 8.282 10.948 1.888 146 HG2 PRO 24 HG2 PRO 24 10.841 11.676 2.649 147 HG3 PRO 24 HG3 PRO 24 10.308 10.612 1.306 148 HD2 PRO 24 HD2 PRO 24 11.344 13.471 1.267 149 HD3 PRO 24 HD3 PRO 24 11.591 12.160 0.073 150 H SER 25 H SER 25 6.195 12.406 -0.843 151 HA SER 25 HA SER 25 5.528 15.019 -0.808 152 HB2 SER 25 HB2 SER 25 3.426 14.326 -1.505 153 HB3 SER 25 HB3 SER 25 4.338 12.856 -1.787 154 HG SER 25 HG SER 25 2.559 12.174 -0.642 155 H LYS 26 H LYS 26 3.982 16.280 0.548 156 HA LYS 26 HA LYS 26 4.236 15.488 3.359 157 HB2 LYS 26 HB2 LYS 26 3.530 18.271 2.505 158 HB3 LYS 26 HB3 LYS 26 4.385 17.722 3.932 159 HG2 LYS 26 HG2 LYS 26 6.252 16.927 2.290 160 HG3 LYS 26 HG3 LYS 26 5.438 17.901 1.082 161 HD2 LYS 26 HD2 LYS 26 5.899 19.284 3.684 162 HD3 LYS 26 HD3 LYS 26 7.361 18.852 2.821 163 HE2 LYS 26 HE2 LYS 26 6.440 19.979 0.757 164 HE3 LYS 26 HE3 LYS 26 5.030 20.465 1.677 165 HZ1 LYS 26 HZ1 LYS 26 7.058 21.337 3.240 166 HZ2 LYS 26 HZ2 LYS 26 7.699 21.563 1.760 167 H ASP 27 H ASP 27 2.254 14.361 1.472 168 HA ASP 27 HA ASP 27 -0.069 15.201 2.980 169 HB2 ASP 27 HB2 ASP 27 -1.358 14.837 0.703 170 HB3 ASP 27 HB3 ASP 27 -0.601 16.382 1.035 171 HD2 ASP 27 HD2 ASP 27 -0.902 14.015 -1.101 172 H GLY 28 H GLY 28 0.934 13.048 0.201 173 HA2 GLY 28 HA2 GLY 28 1.289 10.667 0.889 174 HA3 GLY 28 HA3 GLY 28 -0.295 10.769 1.632 175 H ALA 29 H ALA 29 -1.650 12.387 -0.335 176 HA ALA 29 HA ALA 29 -2.574 10.461 -2.059 177 HB1 ALA 29 HB1 ALA 29 -3.977 12.291 -1.794 178 HB2 ALA 29 HB2 ALA 29 -2.649 13.467 -1.946 179 HB3 ALA 29 HB3 ALA 29 -3.277 12.642 -3.393 180 H TYR 30 H TYR 30 -0.136 13.018 -2.590 181 HA TYR 30 HA TYR 30 0.442 12.660 -5.268 182 HB2 TYR 30 HB2 TYR 30 1.431 14.351 -3.724 183 HB3 TYR 30 HB3 TYR 30 2.451 13.080 -3.030 184 HD1 TYR 30 HD1 TYR 30 1.532 13.840 -6.591 185 HD2 TYR 30 HD2 TYR 30 4.646 13.533 -3.648 186 HE1 TYR 30 HE1 TYR 30 3.234 14.244 -8.349 187 HE2 TYR 30 HE2 TYR 30 6.348 13.937 -5.406 188 HH TYR 30 HH TYR 30 5.938 13.598 -8.560 189 H GLU 31 H GLU 31 1.723 10.713 -2.464 190 HA GLU 31 HA GLU 31 3.329 9.144 -4.137 191 HB2 GLU 31 HB2 GLU 31 2.223 8.496 -1.369 192 HB3 GLU 31 HB3 GLU 31 3.572 7.689 -2.144 193 HG2 GLU 31 HG2 GLU 31 3.817 10.657 -2.029 194 HG3 GLU 31 HG3 GLU 31 3.801 9.873 -0.462 195 HE2 GLU 31 HE2 GLU 31 6.791 9.953 -2.872 196 H PHE 32 H PHE 32 0.076 8.635 -2.615 197 HA PHE 32 HA PHE 32 -0.432 6.094 -3.366 198 HB2 PHE 32 HB2 PHE 32 -1.997 7.463 -2.062 199 HB3 PHE 32 HB3 PHE 32 -2.106 8.663 -3.335 200 HD1 PHE 32 HD1 PHE 32 -2.422 4.958 -3.568 201 HD2 PHE 32 HD2 PHE 32 -4.356 8.720 -3.910 202 HE1 PHE 32 HE1 PHE 32 -4.473 3.823 -4.464 203 HE2 PHE 32 HE2 PHE 32 -6.407 7.585 -4.806 204 HZ PHE 32 HZ PHE 32 -6.441 5.149 -5.073 205 H GLU 33 H GLU 33 -0.107 8.920 -5.458 206 HA GLU 33 HA GLU 33 -1.544 7.837 -7.616 207 HB2 GLU 33 HB2 GLU 33 -0.040 10.253 -7.007 208 HB3 GLU 33 HB3 GLU 33 0.394 9.675 -8.603 209 HG2 GLU 33 HG2 GLU 33 -1.683 10.122 -9.480 210 HG3 GLU 33 HG3 GLU 33 -2.523 9.560 -8.048 211 HE2 GLU 33 HE2 GLU 33 -2.883 12.581 -9.253 212 H GLN 34 H GLN 34 1.918 7.857 -6.618 213 HA GLN 34 HA GLN 34 3.019 6.876 -8.903 214 HB2 GLN 34 HB2 GLN 34 3.759 6.362 -5.992 215 HB3 GLN 34 HB3 GLN 34 4.781 5.890 -7.336 216 HG2 GLN 34 HG2 GLN 34 3.980 8.696 -6.487 217 HG3 GLN 34 HG3 GLN 34 5.595 8.035 -6.642 218 HE21 GLN 34 HE21 GLN 34 4.025 10.334 -7.876 219 HE22 GLN 34 HE22 GLN 34 4.316 10.220 -9.579 220 H CYS 35 H CYS 35 1.142 5.199 -6.374 221 HA CYS 35 HA CYS 35 1.790 2.617 -7.470 222 HB2 CYS 35 HB2 CYS 35 -0.398 2.974 -5.482 223 HB3 CYS 35 HB3 CYS 35 0.799 1.702 -5.625 224 H GLN 36 H GLN 36 0.798 4.131 -9.526 225 HA GLN 36 HA GLN 36 -1.702 2.809 -10.007 226 HB2 GLN 36 HB2 GLN 36 -1.737 5.483 -9.118 227 HB3 GLN 36 HB3 GLN 36 -1.929 5.610 -10.855 228 HG2 GLN 36 HG2 GLN 36 -3.880 4.182 -10.848 229 HG3 GLN 36 HG3 GLN 36 -3.579 3.651 -9.205 230 HE21 GLN 36 HE21 GLN 36 -3.149 5.759 -7.733 231 HE22 GLN 36 HE22 GLN 36 -4.453 6.899 -7.754 232 H SER 37 H SER 37 0.271 1.824 -11.280 233 HA SER 37 HA SER 37 -0.034 2.721 -13.937 234 HB2 SER 37 HB2 SER 37 2.700 2.791 -14.010 235 HB3 SER 37 HB3 SER 37 1.688 4.218 -13.902 236 HG SER 37 HG SER 37 2.276 2.958 -11.437 237 H CYS 38 H CYS 38 2.684 1.103 -12.134 238 HA CYS 38 HA CYS 38 2.722 -1.062 -13.925 239 HB2 CYS 38 HB2 CYS 38 3.904 -1.129 -11.146 240 HB3 CYS 38 HB3 CYS 38 4.463 -1.944 -12.593 241 H HIS 39 H HIS 39 0.575 -0.143 -11.435 242 HA HIS 39 HA HIS 39 -0.240 -2.935 -11.065 243 HB2 HIS 39 HB2 HIS 39 -0.424 -0.591 -9.157 244 HB3 HIS 39 HB3 HIS 39 -1.271 -2.106 -8.912 245 HD1 HIS 39 HD1 HIS 39 0.594 -4.303 -9.158 246 HD2 HIS 39 HD2 HIS 39 1.925 -0.568 -7.789 247 HE1 HIS 39 HE1 HIS 39 2.767 -4.738 -7.894 248 H GLY 40 H GLY 40 -1.986 0.072 -10.171 249 HA2 GLY 40 HA2 GLY 40 -3.516 0.683 -12.264 250 HA3 GLY 40 HA3 GLY 40 -4.256 -0.822 -11.756 251 H SER 41 H SER 41 -6.223 0.094 -11.025 252 HA SER 41 HA SER 41 -5.895 1.846 -8.715 253 HB2 SER 41 HB2 SER 41 -8.406 1.689 -10.418 254 HB3 SER 41 HB3 SER 41 -7.957 2.937 -9.273 255 HG SER 41 HG SER 41 -6.677 2.379 -11.811 256 H LEU 42 H LEU 42 -7.294 1.437 -6.867 257 HA LEU 42 HA LEU 42 -7.691 -1.239 -6.297 258 HB2 LEU 42 HB2 LEU 42 -9.080 1.128 -5.038 259 HB3 LEU 42 HB3 LEU 42 -8.857 -0.459 -4.329 260 HG LEU 42 HG LEU 42 -6.375 0.948 -5.152 261 HD11 LEU 42 HD11 LEU 42 -6.332 2.570 -3.491 262 HD12 LEU 42 HD12 LEU 42 -7.992 2.688 -4.123 263 HD13 LEU 42 HD13 LEU 42 -7.682 1.836 -2.592 264 HD21 LEU 42 HD21 LEU 42 -7.235 -1.116 -3.280 265 HD22 LEU 42 HD22 LEU 42 -5.631 -0.796 -3.984 266 HD23 LEU 42 HD23 LEU 42 -6.156 0.084 -2.528 267 H ALA 43 H ALA 43 -9.809 1.176 -7.846 268 HA ALA 43 HA ALA 43 -12.171 -0.365 -7.624 269 HB1 ALA 43 HB1 ALA 43 -12.430 1.312 -9.844 270 HB2 ALA 43 HB2 ALA 43 -12.863 1.712 -8.165 271 HB3 ALA 43 HB3 ALA 43 -11.262 2.158 -8.801 272 H GLU 44 H GLU 44 -9.277 -0.911 -9.291 273 HA GLU 44 HA GLU 44 -10.721 -2.466 -11.295 274 HB2 GLU 44 HB2 GLU 44 -8.970 -0.448 -11.845 275 HB3 GLU 44 HB3 GLU 44 -7.845 -1.789 -11.763 276 HG2 GLU 44 HG2 GLU 44 -10.016 -2.805 -13.257 277 HG3 GLU 44 HG3 GLU 44 -9.839 -1.158 -13.829 278 HE2 GLU 44 HE2 GLU 44 -7.026 -1.025 -13.445 279 H MET 45 H MET 45 -9.891 -3.104 -8.434 280 HA MET 45 HA MET 45 -8.109 -5.321 -9.093 281 HB2 MET 45 HB2 MET 45 -8.528 -3.799 -6.460 282 HB3 MET 45 HB3 MET 45 -7.518 -5.224 -6.603 283 HG2 MET 45 HG2 MET 45 -6.354 -3.839 -8.568 284 HG3 MET 45 HG3 MET 45 -7.068 -2.460 -7.756 285 HE1 MET 45 HE1 MET 45 -5.112 -1.422 -7.465 286 HE2 MET 45 HE2 MET 45 -4.062 -1.603 -6.039 287 HE3 MET 45 HE3 MET 45 -3.653 -2.438 -7.557 288 H ASP 46 H ASP 46 -8.428 -6.925 -6.846 289 HA ASP 46 HA ASP 46 -10.607 -8.381 -7.428 290 HB2 ASP 46 HB2 ASP 46 -10.268 -8.683 -4.626 291 HB3 ASP 46 HB3 ASP 46 -9.558 -9.669 -5.889 292 HD2 ASP 46 HD2 ASP 46 -8.448 -8.982 -3.393 293 H ASP 47 H ASP 47 -12.384 -8.868 -5.465 294 HA ASP 47 HA ASP 47 -13.881 -6.453 -5.352 295 HB2 ASP 47 HB2 ASP 47 -14.314 -9.354 -4.815 296 HB3 ASP 47 HB3 ASP 47 -15.267 -8.285 -3.805 297 HD2 ASP 47 HD2 ASP 47 -15.104 -9.717 -6.781 298 H ASN 48 H ASN 48 -11.278 -7.406 -3.633 299 HA ASN 48 HA ASN 48 -12.414 -6.865 -1.022 300 HB2 ASN 48 HB2 ASN 48 -9.552 -7.688 -1.738 301 HB3 ASN 48 HB3 ASN 48 -10.260 -7.689 -0.135 302 HD21 ASN 48 HD21 ASN 48 -9.148 -9.943 -0.886 303 HD22 ASN 48 HD22 ASN 48 -10.299 -11.171 -1.297 304 H HIS 49 H HIS 49 -10.144 -5.705 -3.540 305 HA HIS 49 HA HIS 49 -9.148 -3.586 -1.878 306 HB2 HIS 49 HB2 HIS 49 -8.665 -4.514 -4.697 307 HB3 HIS 49 HB3 HIS 49 -8.123 -2.925 -4.194 308 HD1 HIS 49 HD1 HIS 49 -7.599 -6.607 -3.394 309 HD2 HIS 49 HD2 HIS 49 -5.809 -2.886 -2.654 310 HE1 HIS 49 HE1 HIS 49 -5.342 -7.102 -2.312 311 H LYS 50 H LYS 50 -11.686 -4.143 -4.290 312 HA LYS 50 HA LYS 50 -12.130 -1.531 -5.093 313 HB2 LYS 50 HB2 LYS 50 -13.773 -4.032 -4.950 314 HB3 LYS 50 HB3 LYS 50 -14.586 -2.519 -5.290 315 HG2 LYS 50 HG2 LYS 50 -12.647 -2.166 -7.058 316 HG3 LYS 50 HG3 LYS 50 -12.413 -3.895 -6.897 317 HD2 LYS 50 HD2 LYS 50 -15.148 -2.683 -7.480 318 HD3 LYS 50 HD3 LYS 50 -14.026 -3.100 -8.759 319 HE2 LYS 50 HE2 LYS 50 -13.972 -5.461 -7.978 320 HE3 LYS 50 HE3 LYS 50 -15.033 -5.061 -6.642 321 HZ1 LYS 50 HZ1 LYS 50 -16.243 -4.159 -9.012 322 HZ2 LYS 50 HZ2 LYS 50 -15.779 -5.699 -9.266 323 HA PRO 51 HA PRO 51 -15.658 -1.617 -1.481 324 HB2 PRO 51 HB2 PRO 51 -13.721 -3.147 0.298 325 HB3 PRO 51 HB3 PRO 51 -15.514 -3.102 0.296 326 HG2 PRO 51 HG2 PRO 51 -13.903 -5.091 -0.988 327 HG3 PRO 51 HG3 PRO 51 -15.622 -4.724 -1.346 328 HD2 PRO 51 HD2 PRO 51 -13.246 -4.274 -3.007 329 HD3 PRO 51 HD3 PRO 51 -14.955 -3.920 -3.407 330 H HIS 52 H HIS 52 -12.043 -1.628 -0.978 331 HA HIS 52 HA HIS 52 -12.280 0.626 0.779 332 HB2 HIS 52 HB2 HIS 52 -9.890 -0.837 -0.373 333 HB3 HIS 52 HB3 HIS 52 -9.770 0.504 0.749 334 HD1 HIS 52 HD1 HIS 52 -9.701 -3.047 0.755 335 HD2 HIS 52 HD2 HIS 52 -11.483 -0.174 3.237 336 HE1 HIS 52 HE1 HIS 52 -10.173 -4.214 2.974 337 H ASP 53 H ASP 53 -10.945 -0.040 -2.528 338 HA ASP 53 HA ASP 53 -9.836 1.979 -3.450 339 HB2 ASP 53 HB2 ASP 53 -10.944 0.398 -4.960 340 HB3 ASP 53 HB3 ASP 53 -12.521 1.046 -4.557 341 HD2 ASP 53 HD2 ASP 53 -10.185 3.174 -7.036 342 H GLY 54 H GLY 54 -9.868 4.060 -2.518 343 HA2 GLY 54 HA2 GLY 54 -10.693 6.228 -2.570 344 HA3 GLY 54 HA3 GLY 54 -12.310 5.628 -2.881 345 H LEU 55 H LEU 55 -9.810 4.965 -0.316 346 HA LEU 55 HA LEU 55 -11.455 6.170 1.684 347 HB2 LEU 55 HB2 LEU 55 -11.593 3.272 1.195 348 HB3 LEU 55 HB3 LEU 55 -11.258 3.713 2.857 349 HG LEU 55 HG LEU 55 -13.625 4.677 1.227 350 HD11 LEU 55 HD11 LEU 55 -13.394 2.557 3.376 351 HD12 LEU 55 HD12 LEU 55 -14.936 3.255 2.823 352 HD13 LEU 55 HD13 LEU 55 -13.909 2.352 1.684 353 HD21 LEU 55 HD21 LEU 55 -12.798 5.210 4.086 354 HD22 LEU 55 HD22 LEU 55 -13.102 6.385 2.784 355 HD23 LEU 55 HD23 LEU 55 -14.454 5.460 3.483 356 H LEU 56 H LEU 56 -8.930 3.574 1.323 357 HA LEU 56 HA LEU 56 -7.153 5.331 2.860 358 HB2 LEU 56 HB2 LEU 56 -6.460 3.638 4.255 359 HB3 LEU 56 HB3 LEU 56 -8.195 3.410 4.172 360 HG LEU 56 HG LEU 56 -6.702 1.852 2.169 361 HD11 LEU 56 HD11 LEU 56 -5.467 1.990 4.641 362 HD12 LEU 56 HD12 LEU 56 -6.458 0.516 4.753 363 HD13 LEU 56 HD13 LEU 56 -5.277 0.696 3.433 364 HD21 LEU 56 HD21 LEU 56 -9.210 1.790 3.060 365 HD22 LEU 56 HD22 LEU 56 -8.375 0.338 2.458 366 HD23 LEU 56 HD23 LEU 56 -8.499 0.632 4.209 367 H MET 57 H MET 57 -4.880 5.119 2.341 368 HA MET 57 HA MET 57 -4.543 4.555 -0.420 369 HB2 MET 57 HB2 MET 57 -2.979 5.759 1.843 370 HB3 MET 57 HB3 MET 57 -2.003 5.031 0.583 371 HG2 MET 57 HG2 MET 57 -2.296 7.308 -0.100 372 HG3 MET 57 HG3 MET 57 -3.390 6.390 -1.115 373 HE1 MET 57 HE1 MET 57 -3.553 7.505 2.676 374 HE2 MET 57 HE2 MET 57 -2.965 8.910 1.755 375 HE3 MET 57 HE3 MET 57 -4.571 8.957 2.522 376 H CYS 58 H CYS 58 -2.449 3.290 -1.123 377 HA CYS 58 HA CYS 58 -2.810 0.642 -0.407 378 HB2 CYS 58 HB2 CYS 58 -0.258 1.741 -1.576 379 HB3 CYS 58 HB3 CYS 58 -0.953 0.146 -1.786 380 H ALA 59 H ALA 59 0.149 2.691 0.184 381 HA ALA 59 HA ALA 59 1.474 1.138 1.909 382 HB1 ALA 59 HB1 ALA 59 2.343 3.261 2.897 383 HB2 ALA 59 HB2 ALA 59 2.279 3.302 1.118 384 HB3 ALA 59 HB3 ALA 59 1.037 4.147 2.073 385 H ASP 60 H ASP 60 -1.148 3.473 2.851 386 HA ASP 60 HA ASP 60 -1.228 3.258 5.444 387 HB2 ASP 60 HB2 ASP 60 -3.640 2.832 3.618 388 HB3 ASP 60 HB3 ASP 60 -3.753 3.285 5.307 389 HD2 ASP 60 HD2 ASP 60 -4.882 5.164 4.382 390 H CYS 61 H CYS 61 -1.988 0.659 3.112 391 HA CYS 61 HA CYS 61 -2.674 -1.110 5.337 392 HB2 CYS 61 HB2 CYS 61 -3.655 -0.856 2.590 393 HB3 CYS 61 HB3 CYS 61 -3.181 -2.499 2.975 394 H HIS 62 H HIS 62 -0.821 -0.926 2.209 395 HA HIS 62 HA HIS 62 0.802 -3.155 3.062 396 HB2 HIS 62 HB2 HIS 62 0.777 -1.504 0.521 397 HB3 HIS 62 HB3 HIS 62 1.852 -2.858 0.808 398 HD1 HIS 62 HD1 HIS 62 0.279 -5.143 1.673 399 HD2 HIS 62 HD2 HIS 62 -1.376 -2.303 -0.933 400 HE1 HIS 62 HE1 HIS 62 -1.665 -6.302 0.494 401 H ALA 63 H ALA 63 1.252 -1.440 4.994 402 HA ALA 63 HA ALA 63 2.822 0.720 4.779 403 HB1 ALA 63 HB1 ALA 63 3.987 -0.497 6.910 404 HB2 ALA 63 HB2 ALA 63 2.371 0.247 6.968 405 HB3 ALA 63 HB3 ALA 63 2.534 -1.510 6.733 406 HA PRO 64 HA PRO 64 6.100 -1.056 2.237 407 HB2 PRO 64 HB2 PRO 64 6.756 1.855 1.992 408 HB3 PRO 64 HB3 PRO 64 6.397 0.629 0.732 409 HG2 PRO 64 HG2 PRO 64 4.369 2.513 1.238 410 HG3 PRO 64 HG3 PRO 64 4.204 0.769 0.850 411 HD2 PRO 64 HD2 PRO 64 4.336 2.140 3.603 412 HD3 PRO 64 HD3 PRO 64 3.045 1.076 2.967 413 H HIS 65 H HIS 65 6.652 1.923 4.308 414 HA HIS 65 HA HIS 65 9.265 0.920 4.940 415 HB2 HIS 65 HB2 HIS 65 7.723 3.407 5.697 416 HB3 HIS 65 HB3 HIS 65 9.288 3.032 6.390 417 HD1 HIS 65 HD1 HIS 65 11.034 2.230 4.126 418 HD2 HIS 65 HD2 HIS 65 8.108 5.204 3.694 419 HE1 HIS 65 HE1 HIS 65 11.743 3.645 2.124 420 H GLU 66 H GLU 66 7.868 -1.121 5.753 421 HA GLU 66 HA GLU 66 8.353 -1.331 8.420 422 HB2 GLU 66 HB2 GLU 66 6.060 0.232 8.099 423 HB3 GLU 66 HB3 GLU 66 5.400 -1.365 8.393 424 HG2 GLU 66 HG2 GLU 66 6.468 -1.558 10.515 425 HG3 GLU 66 HG3 GLU 66 7.635 -0.303 10.151 426 HE2 GLU 66 HE2 GLU 66 6.213 0.677 12.455 427 H ALA 67 H ALA 67 5.590 -2.228 6.217 428 HA ALA 67 HA ALA 67 5.559 -4.913 7.009 429 HB1 ALA 67 HB1 ALA 67 3.786 -3.474 5.786 430 HB2 ALA 67 HB2 ALA 67 4.681 -3.877 4.301 431 HB3 ALA 67 HB3 ALA 67 3.962 -5.173 5.286 432 H LYS 68 H LYS 68 6.040 -6.798 5.486 433 HA LYS 68 HA LYS 68 8.464 -6.228 3.933 434 HB2 LYS 68 HB2 LYS 68 8.075 -8.665 5.691 435 HB3 LYS 68 HB3 LYS 68 9.512 -8.219 4.792 436 HG2 LYS 68 HG2 LYS 68 10.183 -6.694 6.367 437 HG3 LYS 68 HG3 LYS 68 8.562 -6.070 6.600 438 HD2 LYS 68 HD2 LYS 68 8.321 -7.288 8.495 439 HD3 LYS 68 HD3 LYS 68 8.630 -8.774 7.619 440 HE2 LYS 68 HE2 LYS 68 11.024 -7.068 8.236 441 HE3 LYS 68 HE3 LYS 68 10.258 -7.858 9.600 442 HZ1 LYS 68 HZ1 LYS 68 11.750 -9.050 7.434 443 HZ2 LYS 68 HZ2 LYS 68 11.501 -9.616 8.940 444 H VAL 69 H VAL 69 8.530 -7.133 1.909 445 HA VAL 69 HA VAL 69 6.385 -7.780 0.514 446 HB VAL 69 HB VAL 69 9.233 -8.606 0.390 447 HG11 VAL 69 HG11 VAL 69 7.022 -10.094 -0.969 448 HG12 VAL 69 HG12 VAL 69 8.499 -9.748 -1.901 449 HG13 VAL 69 HG13 VAL 69 8.601 -10.669 -0.382 450 HG21 VAL 69 HG21 VAL 69 7.357 -7.290 -1.605 451 HG22 VAL 69 HG22 VAL 69 8.455 -6.442 -0.490 452 HG23 VAL 69 HG23 VAL 69 9.119 -7.473 -1.779 453 H GLY 70 H GLY 70 4.832 -9.339 0.397 454 HA2 GLY 70 HA2 GLY 70 3.923 -11.431 0.575 455 HA3 GLY 70 HA3 GLY 70 5.377 -12.019 1.357 456 H GLU 71 H GLU 71 3.516 -9.091 2.323 457 HA GLU 71 HA GLU 71 3.052 -10.432 4.864 458 HB2 GLU 71 HB2 GLU 71 4.111 -7.882 4.230 459 HB3 GLU 71 HB3 GLU 71 2.510 -7.559 4.865 460 HG2 GLU 71 HG2 GLU 71 3.507 -9.529 6.603 461 HG3 GLU 71 HG3 GLU 71 4.915 -8.543 6.264 462 HE2 GLU 71 HE2 GLU 71 3.442 -7.728 9.087 463 H LYS 72 H LYS 72 0.958 -10.574 5.751 464 HA LYS 72 HA LYS 72 -1.175 -9.674 3.941 465 HB2 LYS 72 HB2 LYS 72 -0.848 -12.200 5.550 466 HB3 LYS 72 HB3 LYS 72 -2.444 -11.621 5.119 467 HG2 LYS 72 HG2 LYS 72 -0.781 -11.443 2.766 468 HG3 LYS 72 HG3 LYS 72 -0.547 -13.033 3.465 469 HD2 LYS 72 HD2 LYS 72 -3.386 -12.203 3.451 470 HD3 LYS 72 HD3 LYS 72 -2.692 -12.256 1.843 471 HE2 LYS 72 HE2 LYS 72 -2.181 -14.567 3.731 472 HE3 LYS 72 HE3 LYS 72 -3.740 -14.450 2.939 473 HZ1 LYS 72 HZ1 LYS 72 -1.613 -15.590 1.799 474 HZ2 LYS 72 HZ2 LYS 72 -2.815 -14.923 0.925 475 HA PRO 73 HA PRO 73 -1.569 -6.798 7.403 476 HB2 PRO 73 HB2 PRO 73 -3.783 -6.068 5.439 477 HB3 PRO 73 HB3 PRO 73 -2.695 -5.021 6.408 478 HG2 PRO 73 HG2 PRO 73 -2.131 -5.509 3.751 479 HG3 PRO 73 HG3 PRO 73 -0.827 -5.485 4.982 480 HD2 PRO 73 HD2 PRO 73 -2.300 -7.839 3.714 481 HD3 PRO 73 HD3 PRO 73 -0.559 -7.671 4.093 482 H THR 74 H THR 74 -2.879 -7.054 9.239 483 HA THR 74 HA THR 74 -5.007 -9.026 8.992 484 HB THR 74 HB THR 74 -4.866 -8.914 11.517 485 HG1 THR 74 HG1 THR 74 -3.305 -7.399 12.334 486 HG21 THR 74 HG21 THR 74 -2.050 -9.108 11.293 487 HG22 THR 74 HG22 THR 74 -3.204 -10.460 11.219 488 HG23 THR 74 HG23 THR 74 -2.664 -9.668 9.719 489 H CYS 75 H CYS 75 -7.141 -8.618 9.024 490 HA CYS 75 HA CYS 75 -8.015 -6.001 8.649 491 HB2 CYS 75 HB2 CYS 75 -9.768 -8.281 9.551 492 HB3 CYS 75 HB3 CYS 75 -10.210 -6.885 8.589 493 H ASP 76 H ASP 76 -7.346 -7.965 11.493 494 HA ASP 76 HA ASP 76 -9.059 -6.710 13.275 495 HB2 ASP 76 HB2 ASP 76 -7.340 -8.818 13.403 496 HB3 ASP 76 HB3 ASP 76 -6.351 -7.618 14.210 497 HD2 ASP 76 HD2 ASP 76 -8.263 -7.637 17.089 498 H THR 77 H THR 77 -6.383 -5.533 11.502 499 HA THR 77 HA THR 77 -5.455 -3.694 13.555 500 HB THR 77 HB THR 77 -4.647 -4.112 10.628 501 HG1 THR 77 HG1 THR 77 -2.902 -5.294 11.826 502 HG21 THR 77 HG21 THR 77 -3.872 -1.920 11.575 503 HG22 THR 77 HG22 THR 77 -3.206 -2.781 12.983 504 HG23 THR 77 HG23 THR 77 -2.515 -3.052 11.365 505 H CYS 78 H CYS 78 -8.270 -3.759 12.130 506 HA CYS 78 HA CYS 78 -8.502 -0.934 12.143 507 HB2 CYS 78 HB2 CYS 78 -8.295 -2.333 9.518 508 HB3 CYS 78 HB3 CYS 78 -9.565 -1.136 9.674 509 H HIS 79 H HIS 79 -9.948 -3.978 10.755 510 HA HIS 79 HA HIS 79 -12.537 -3.144 11.741 511 HB2 HIS 79 HB2 HIS 79 -11.701 -5.560 10.111 512 HB3 HIS 79 HB3 HIS 79 -13.351 -5.138 10.521 513 HD1 HIS 79 HD1 HIS 79 -13.897 -2.424 9.717 514 HD2 HIS 79 HD2 HIS 79 -11.057 -4.688 7.617 515 HE1 HIS 79 HE1 HIS 79 -13.650 -1.318 7.431 516 H ASP 80 H ASP 80 -13.602 -4.044 13.488 517 HA ASP 80 HA ASP 80 -12.155 -6.198 14.817 518 HB2 ASP 80 HB2 ASP 80 -12.391 -3.642 15.796 519 HB3 ASP 80 HB3 ASP 80 -13.845 -4.356 16.464 520 HD2 ASP 80 HD2 ASP 80 -11.553 -4.103 18.711 521 H ASP 81 H ASP 81 -14.277 -6.536 12.884 522 HA ASP 81 HA ASP 81 -16.476 -7.281 14.649 523 HB2 ASP 81 HB2 ASP 81 -17.942 -7.080 12.614 524 HB3 ASP 81 HB3 ASP 81 -17.228 -5.557 13.106 525 HD2 ASP 81 HD2 ASP 81 -18.003 -5.404 10.752 526 H GLY 82 H GLY 82 -13.960 -8.767 13.868 527 HA2 GLY 82 HA2 GLY 82 -13.626 -11.020 13.576 528 HA3 GLY 82 HA3 GLY 82 -15.238 -11.195 12.911 529 H ARG 83 H ARG 83 -14.425 -8.602 11.208 530 HA ARG 83 HA ARG 83 -14.228 -9.636 8.834 531 HB2 ARG 83 HB2 ARG 83 -13.500 -7.134 10.020 532 HB3 ARG 83 HB3 ARG 83 -12.180 -7.557 8.949 533 HG2 ARG 83 HG2 ARG 83 -14.040 -6.227 7.843 534 HG3 ARG 83 HG3 ARG 83 -13.652 -7.734 7.037 535 HD2 ARG 83 HD2 ARG 83 -15.781 -8.475 7.312 536 HD3 ARG 83 HD3 ARG 83 -15.654 -8.291 9.050 537 HE ARG 83 HE ARG 83 -16.694 -6.165 8.908 538 H THR 84 H THR 84 -12.815 -10.853 7.565 539 HA THR 84 HA THR 84 -10.031 -11.063 8.443 540 HB THR 84 HB THR 84 -10.325 -13.617 8.062 541 HG1 THR 84 HG1 THR 84 -12.396 -14.063 7.430 542 HG21 THR 84 HG21 THR 84 -10.378 -13.677 10.344 543 HG22 THR 84 HG22 THR 84 -10.980 -12.003 10.384 544 HG23 THR 84 HG23 THR 84 -12.128 -13.360 10.287 545 H ALA 85 H ALA 85 -8.581 -11.899 6.778 546 HA ALA 85 HA ALA 85 -9.176 -10.731 4.289 547 HB1 ALA 85 HB1 ALA 85 -6.942 -10.894 4.128 548 HB2 ALA 85 HB2 ALA 85 -6.932 -11.753 5.688 549 HB3 ALA 85 HB3 ALA 85 -7.030 -12.672 4.167 550 H LYS 86 H LYS 86 -9.508 -11.739 2.217 551 HA LYS 86 HA LYS 86 -10.899 -14.292 2.490 552 HB2 LYS 86 HB2 LYS 86 -11.227 -11.881 0.838 553 HB3 LYS 86 HB3 LYS 86 -11.357 -13.373 -0.072 554 HG2 LYS 86 HG2 LYS 86 -13.365 -13.893 0.869 555 HG3 LYS 86 HG3 LYS 86 -12.775 -13.582 2.489 556 HD2 LYS 86 HD2 LYS 86 -14.212 -11.801 2.431 557 HD3 LYS 86 HD3 LYS 86 -12.926 -11.011 1.542 558 HE2 LYS 86 HE2 LYS 86 -14.068 -11.095 -0.453 559 HE3 LYS 86 HE3 LYS 86 -14.681 -12.709 -0.154 560 HZ1 LYS 86 HZ1 LYS 86 -16.597 -11.492 0.099 561 HZ2 LYS 86 HZ2 LYS 86 -16.094 -11.399 1.645 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 15.050 -14.682 1.555 2 HA ALA 1 HA ALA 1 14.028 -12.816 0.737 3 HB1 ALA 1 HB1 ALA 1 11.952 -12.921 -0.148 4 HB2 ALA 1 HB2 ALA 1 11.995 -14.651 0.269 5 HB3 ALA 1 HB3 ALA 1 11.238 -13.486 1.382 6 H ASP 2 H ASP 2 13.563 -10.905 1.907 7 HA ASP 2 HA ASP 2 12.211 -10.760 4.247 8 HB2 ASP 2 HB2 ASP 2 14.990 -11.773 4.571 9 HB3 ASP 2 HB3 ASP 2 14.619 -10.393 5.586 10 HD2 ASP 2 HD2 ASP 2 11.667 -12.258 6.516 11 H GLU 3 H GLU 3 11.700 -8.638 3.563 12 HA GLU 3 HA GLU 3 13.464 -6.604 4.117 13 HB2 GLU 3 HB2 GLU 3 14.028 -5.737 1.882 14 HB3 GLU 3 HB3 GLU 3 14.693 -7.344 2.100 15 HG2 GLU 3 HG2 GLU 3 12.216 -7.953 1.043 16 HG3 GLU 3 HG3 GLU 3 12.535 -6.417 0.260 17 HE2 GLU 3 HE2 GLU 3 14.859 -6.422 -0.833 18 H THR 4 H THR 4 12.446 -4.491 3.853 19 HA THR 4 HA THR 4 9.650 -4.585 4.030 20 HB THR 4 HB THR 4 9.947 -2.060 3.982 21 HG1 THR 4 HG1 THR 4 11.915 -1.356 3.189 22 HG21 THR 4 HG21 THR 4 11.495 -3.914 5.738 23 HG22 THR 4 HG22 THR 4 12.122 -2.249 5.681 24 HG23 THR 4 HG23 THR 4 10.442 -2.551 6.186 25 H LEU 5 H LEU 5 8.063 -3.441 2.656 26 HA LEU 5 HA LEU 5 8.202 -4.440 0.041 27 HB2 LEU 5 HB2 LEU 5 6.212 -3.767 1.636 28 HB3 LEU 5 HB3 LEU 5 6.347 -2.228 0.808 29 HG LEU 5 HG LEU 5 6.343 -4.078 -1.271 30 HD11 LEU 5 HD11 LEU 5 4.697 -5.690 -0.924 31 HD12 LEU 5 HD12 LEU 5 5.656 -5.740 0.575 32 HD13 LEU 5 HD13 LEU 5 4.088 -4.897 0.549 33 HD21 LEU 5 HD21 LEU 5 4.212 -3.132 -1.842 34 HD22 LEU 5 HD22 LEU 5 3.942 -2.602 -0.164 35 HD23 LEU 5 HD23 LEU 5 5.230 -1.853 -1.138 36 H ALA 6 H ALA 6 8.772 -1.178 1.467 37 HA ALA 6 HA ALA 6 9.041 0.214 -0.910 38 HB1 ALA 6 HB1 ALA 6 10.733 0.774 1.531 39 HB2 ALA 6 HB2 ALA 6 9.928 1.921 0.433 40 HB3 ALA 6 HB3 ALA 6 8.965 0.973 1.592 41 H GLU 7 H GLU 7 11.199 -2.072 0.739 42 HA GLU 7 HA GLU 7 13.497 -1.275 -0.687 43 HB2 GLU 7 HB2 GLU 7 12.839 -3.088 1.435 44 HB3 GLU 7 HB3 GLU 7 13.660 -4.024 0.202 45 HG2 GLU 7 HG2 GLU 7 14.690 -1.447 1.479 46 HG3 GLU 7 HG3 GLU 7 15.292 -3.062 1.794 47 HE2 GLU 7 HE2 GLU 7 15.380 -0.496 -0.491 48 H PHE 8 H PHE 8 11.374 -4.230 -0.888 49 HA PHE 8 HA PHE 8 12.469 -5.441 -3.025 50 HB2 PHE 8 HB2 PHE 8 10.517 -6.275 -1.739 51 HB3 PHE 8 HB3 PHE 8 9.545 -4.908 -2.245 52 HD1 PHE 8 HD1 PHE 8 11.309 -7.895 -3.586 53 HD2 PHE 8 HD2 PHE 8 8.188 -5.073 -4.135 54 HE1 PHE 8 HE1 PHE 8 10.445 -9.229 -5.529 55 HE2 PHE 8 HE2 PHE 8 7.324 -6.406 -6.078 56 HZ PHE 8 HZ PHE 8 8.463 -8.469 -6.752 57 H HIS 9 H HIS 9 10.406 -2.509 -3.029 58 HA HIS 9 HA HIS 9 10.107 -2.529 -5.859 59 HB2 HIS 9 HB2 HIS 9 9.409 -0.650 -3.625 60 HB3 HIS 9 HB3 HIS 9 9.368 -0.068 -5.278 61 HD1 HIS 9 HD1 HIS 9 7.672 -2.524 -2.954 62 HD2 HIS 9 HD2 HIS 9 7.235 -1.013 -6.843 63 HE1 HIS 9 HE1 HIS 9 5.380 -3.296 -3.768 64 H VAL 10 H VAL 10 12.316 -1.049 -3.462 65 HA VAL 10 HA VAL 10 13.517 0.805 -5.149 66 HB VAL 10 HB VAL 10 14.286 -0.660 -2.654 67 HG11 VAL 10 HG11 VAL 10 16.121 1.270 -4.115 68 HG12 VAL 10 HG12 VAL 10 16.411 0.517 -2.528 69 HG13 VAL 10 HG13 VAL 10 16.365 -0.489 -3.995 70 HG21 VAL 10 HG21 VAL 10 13.409 1.146 -1.686 71 HG22 VAL 10 HG22 VAL 10 14.546 2.201 -2.559 72 HG23 VAL 10 HG23 VAL 10 12.981 1.779 -3.294 73 H GLU 11 H GLU 11 14.528 -2.588 -4.322 74 HA GLU 11 HA GLU 11 16.710 -2.673 -5.941 75 HB2 GLU 11 HB2 GLU 11 15.967 -4.407 -4.255 76 HB3 GLU 11 HB3 GLU 11 14.783 -4.977 -5.415 77 HG2 GLU 11 HG2 GLU 11 16.517 -6.413 -5.958 78 HG3 GLU 11 HG3 GLU 11 16.924 -5.092 -7.035 79 HE2 GLU 11 HE2 GLU 11 18.803 -6.801 -6.072 80 H MET 12 H MET 12 13.351 -2.473 -6.823 81 HA MET 12 HA MET 12 13.967 -3.431 -9.498 82 HB2 MET 12 HB2 MET 12 11.598 -3.406 -7.730 83 HB3 MET 12 HB3 MET 12 11.210 -2.761 -9.312 84 HG2 MET 12 HG2 MET 12 12.310 -4.832 -10.337 85 HG3 MET 12 HG3 MET 12 12.461 -5.484 -8.717 86 HE1 MET 12 HE1 MET 12 9.442 -3.684 -7.923 87 HE2 MET 12 HE2 MET 12 8.614 -5.232 -7.626 88 HE3 MET 12 HE3 MET 12 10.288 -4.995 -7.068 89 H GLY 13 H GLY 13 14.667 -0.719 -8.140 90 HA2 GLY 13 HA2 GLY 13 14.445 0.910 -10.377 91 HA3 GLY 13 HA3 GLY 13 13.069 1.279 -9.357 92 H GLY 14 H GLY 14 13.497 1.852 -7.025 93 HA2 GLY 14 HA2 GLY 14 15.878 2.289 -5.816 94 HA3 GLY 14 HA3 GLY 14 15.732 3.672 -6.883 95 H CYS 15 H CYS 15 15.695 4.865 -4.737 96 HA CYS 15 HA CYS 15 13.378 4.545 -3.118 97 HB2 CYS 15 HB2 CYS 15 15.539 6.658 -3.180 98 HB3 CYS 15 HB3 CYS 15 14.226 6.641 -2.020 99 H GLU 16 H GLU 16 14.135 6.046 -6.134 100 HA GLU 16 HA GLU 16 12.234 8.165 -5.822 101 HB2 GLU 16 HB2 GLU 16 14.028 7.228 -8.084 102 HB3 GLU 16 HB3 GLU 16 12.795 8.442 -8.360 103 HG2 GLU 16 HG2 GLU 16 14.132 9.240 -5.972 104 HG3 GLU 16 HG3 GLU 16 15.398 8.731 -7.072 105 HE2 GLU 16 HE2 GLU 16 15.486 10.415 -9.193 106 H ASN 17 H ASN 17 11.645 5.062 -5.803 107 HA ASN 17 HA ASN 17 10.081 4.654 -8.099 108 HB2 ASN 17 HB2 ASN 17 11.053 3.080 -5.985 109 HB3 ASN 17 HB3 ASN 17 9.325 3.091 -5.690 110 HD21 ASN 17 HD21 ASN 17 7.888 2.341 -7.285 111 HD22 ASN 17 HD22 ASN 17 8.382 1.235 -8.523 112 H CYS 18 H CYS 18 9.646 6.179 -4.946 113 HA CYS 18 HA CYS 18 6.933 6.858 -5.682 114 HB2 CYS 18 HB2 CYS 18 7.348 5.863 -2.874 115 HB3 CYS 18 HB3 CYS 18 5.857 6.056 -3.775 116 H HIS 19 H HIS 19 9.703 8.088 -5.465 117 HA HIS 19 HA HIS 19 8.888 10.306 -3.791 118 HB2 HIS 19 HB2 HIS 19 11.522 8.851 -3.435 119 HB3 HIS 19 HB3 HIS 19 11.152 10.419 -2.745 120 HD1 HIS 19 HD1 HIS 19 8.245 9.858 -1.736 121 HD2 HIS 19 HD2 HIS 19 11.509 7.283 -1.176 122 HE1 HIS 19 HE1 HIS 19 7.677 8.414 0.289 123 H ALA 20 H ALA 20 9.384 12.257 -4.734 124 HA ALA 20 HA ALA 20 10.775 12.091 -7.285 125 HB1 ALA 20 HB1 ALA 20 9.888 14.687 -6.980 126 HB2 ALA 20 HB2 ALA 20 8.967 13.374 -7.754 127 HB3 ALA 20 HB3 ALA 20 8.687 13.768 -6.040 128 H ASP 21 H ASP 21 12.946 12.377 -7.276 129 HA ASP 21 HA ASP 21 14.936 12.934 -6.551 130 HB2 ASP 21 HB2 ASP 21 13.666 15.132 -7.571 131 HB3 ASP 21 HB3 ASP 21 14.067 15.748 -5.981 132 HD2 ASP 21 HD2 ASP 21 15.894 13.773 -8.245 133 H GLY 22 H GLY 22 13.438 11.852 -4.402 134 HA2 GLY 22 HA2 GLY 22 13.403 11.693 -2.161 135 HA3 GLY 22 HA3 GLY 22 14.834 12.703 -2.145 136 H GLU 23 H GLU 23 11.279 13.095 -2.844 137 HA GLU 23 HA GLU 23 11.245 15.190 -0.860 138 HB2 GLU 23 HB2 GLU 23 11.640 16.035 -3.366 139 HB3 GLU 23 HB3 GLU 23 9.909 15.793 -3.496 140 HG2 GLU 23 HG2 GLU 23 11.314 17.527 -1.409 141 HG3 GLU 23 HG3 GLU 23 10.431 18.118 -2.803 142 HE2 GLU 23 HE2 GLU 23 8.209 17.819 -2.786 143 HA PRO 24 HA PRO 24 7.857 11.869 -0.953 144 HB2 PRO 24 HB2 PRO 24 7.899 11.955 1.896 145 HB3 PRO 24 HB3 PRO 24 8.700 10.744 0.842 146 HG2 PRO 24 HG2 PRO 24 9.635 13.181 1.982 147 HG3 PRO 24 HG3 PRO 24 10.825 11.841 2.059 148 HD2 PRO 24 HD2 PRO 24 11.329 13.524 0.190 149 HD3 PRO 24 HD3 PRO 24 10.953 11.895 -0.451 150 H SER 25 H SER 25 5.885 12.861 -1.384 151 HA SER 25 HA SER 25 5.255 15.396 -0.828 152 HB2 SER 25 HB2 SER 25 3.206 14.856 -1.688 153 HB3 SER 25 HB3 SER 25 3.965 13.310 -2.010 154 HG SER 25 HG SER 25 2.538 12.421 -0.700 155 H LYS 26 H LYS 26 3.781 16.425 0.787 156 HA LYS 26 HA LYS 26 4.225 15.238 3.420 157 HB2 LYS 26 HB2 LYS 26 3.817 17.498 4.276 158 HB3 LYS 26 HB3 LYS 26 5.124 17.471 3.109 159 HG2 LYS 26 HG2 LYS 26 2.650 17.894 1.673 160 HG3 LYS 26 HG3 LYS 26 2.693 19.012 3.021 161 HD2 LYS 26 HD2 LYS 26 5.299 19.178 2.059 162 HD3 LYS 26 HD3 LYS 26 4.386 18.929 0.584 163 HE2 LYS 26 HE2 LYS 26 3.574 21.019 2.650 164 HE3 LYS 26 HE3 LYS 26 4.708 21.379 1.363 165 HZ1 LYS 26 HZ1 LYS 26 3.049 20.989 -0.260 166 HZ2 LYS 26 HZ2 LYS 26 2.048 20.222 0.770 167 H ASP 27 H ASP 27 2.178 14.290 1.438 168 HA ASP 27 HA ASP 27 -0.081 14.670 3.218 169 HB2 ASP 27 HB2 ASP 27 -1.483 14.489 0.977 170 HB3 ASP 27 HB3 ASP 27 -0.857 16.040 1.497 171 HD2 ASP 27 HD2 ASP 27 -0.963 13.981 -1.091 172 H GLY 28 H GLY 28 0.866 13.007 0.104 173 HA2 GLY 28 HA2 GLY 28 1.463 10.584 0.479 174 HA3 GLY 28 HA3 GLY 28 -0.102 10.464 1.258 175 H ALA 29 H ALA 29 -1.602 12.249 -0.467 176 HA ALA 29 HA ALA 29 -2.548 10.550 -2.354 177 HB1 ALA 29 HB1 ALA 29 -2.402 13.591 -2.431 178 HB2 ALA 29 HB2 ALA 29 -3.491 12.592 -3.422 179 HB3 ALA 29 HB3 ALA 29 -3.667 12.611 -1.651 180 H TYR 30 H TYR 30 -0.103 13.127 -2.805 181 HA TYR 30 HA TYR 30 0.445 12.809 -5.505 182 HB2 TYR 30 HB2 TYR 30 1.391 14.553 -4.037 183 HB3 TYR 30 HB3 TYR 30 2.407 13.335 -3.247 184 HD1 TYR 30 HD1 TYR 30 1.633 13.759 -6.886 185 HD2 TYR 30 HD2 TYR 30 4.598 13.962 -3.785 186 HE1 TYR 30 HE1 TYR 30 3.395 14.120 -8.594 187 HE2 TYR 30 HE2 TYR 30 6.360 14.323 -5.492 188 HH TYR 30 HH TYR 30 5.644 14.922 -8.863 189 H GLU 31 H GLU 31 1.847 10.921 -2.717 190 HA GLU 31 HA GLU 31 3.462 9.399 -4.437 191 HB2 GLU 31 HB2 GLU 31 2.537 8.989 -1.565 192 HB3 GLU 31 HB3 GLU 31 3.645 7.891 -2.365 193 HG2 GLU 31 HG2 GLU 31 4.900 10.234 -2.942 194 HG3 GLU 31 HG3 GLU 31 4.090 10.724 -1.467 195 HE2 GLU 31 HE2 GLU 31 5.520 9.661 0.616 196 H PHE 32 H PHE 32 0.303 8.787 -2.761 197 HA PHE 32 HA PHE 32 -0.145 6.220 -3.430 198 HB2 PHE 32 HB2 PHE 32 -1.734 7.537 -2.125 199 HB3 PHE 32 HB3 PHE 32 -1.886 8.738 -3.392 200 HD1 PHE 32 HD1 PHE 32 -2.371 5.039 -3.094 201 HD2 PHE 32 HD2 PHE 32 -3.913 8.747 -4.467 202 HE1 PHE 32 HE1 PHE 32 -4.416 3.868 -3.960 203 HE2 PHE 32 HE2 PHE 32 -5.957 7.576 -5.333 204 HZ PHE 32 HZ PHE 32 -6.185 5.151 -5.069 205 H GLU 33 H GLU 33 -0.028 9.002 -5.614 206 HA GLU 33 HA GLU 33 -1.486 7.825 -7.689 207 HB2 GLU 33 HB2 GLU 33 0.073 10.256 -7.227 208 HB3 GLU 33 HB3 GLU 33 0.370 9.630 -8.836 209 HG2 GLU 33 HG2 GLU 33 -2.491 9.536 -8.087 210 HG3 GLU 33 HG3 GLU 33 -1.838 11.163 -8.059 211 HE2 GLU 33 HE2 GLU 33 -3.257 11.117 -10.708 212 H GLN 34 H GLN 34 1.983 7.826 -6.755 213 HA GLN 34 HA GLN 34 3.062 6.831 -9.039 214 HB2 GLN 34 HB2 GLN 34 3.791 6.304 -6.129 215 HB3 GLN 34 HB3 GLN 34 4.800 5.794 -7.468 216 HG2 GLN 34 HG2 GLN 34 4.067 8.631 -6.655 217 HG3 GLN 34 HG3 GLN 34 5.666 7.924 -6.776 218 HE21 GLN 34 HE21 GLN 34 4.204 10.255 -8.061 219 HE22 GLN 34 HE22 GLN 34 4.509 10.106 -9.760 220 H CYS 35 H CYS 35 1.222 5.149 -6.472 221 HA CYS 35 HA CYS 35 1.791 2.577 -7.628 222 HB2 CYS 35 HB2 CYS 35 -0.346 2.863 -5.596 223 HB3 CYS 35 HB3 CYS 35 0.920 1.661 -5.747 224 H GLN 36 H GLN 36 0.764 4.116 -9.638 225 HA GLN 36 HA GLN 36 -1.809 2.882 -10.010 226 HB2 GLN 36 HB2 GLN 36 -1.701 5.550 -9.187 227 HB3 GLN 36 HB3 GLN 36 -1.847 5.688 -10.927 228 HG2 GLN 36 HG2 GLN 36 -3.984 4.828 -10.959 229 HG3 GLN 36 HG3 GLN 36 -3.642 3.647 -9.710 230 HE21 GLN 36 HE21 GLN 36 -3.555 7.203 -9.986 231 HE22 GLN 36 HE22 GLN 36 -4.486 7.555 -8.569 232 H SER 37 H SER 37 0.378 1.915 -11.202 233 HA SER 37 HA SER 37 -0.069 2.643 -13.926 234 HB2 SER 37 HB2 SER 37 1.683 4.238 -13.472 235 HB3 SER 37 HB3 SER 37 2.628 3.059 -12.585 236 HG SER 37 HG SER 37 2.101 2.155 -15.145 237 H CYS 38 H CYS 38 2.687 1.038 -12.181 238 HA CYS 38 HA CYS 38 2.645 -1.189 -13.857 239 HB2 CYS 38 HB2 CYS 38 3.790 -1.173 -11.057 240 HB3 CYS 38 HB3 CYS 38 4.321 -2.106 -12.442 241 H HIS 39 H HIS 39 0.569 -0.156 -11.308 242 HA HIS 39 HA HIS 39 -0.389 -2.905 -10.964 243 HB2 HIS 39 HB2 HIS 39 -0.454 -0.577 -9.026 244 HB3 HIS 39 HB3 HIS 39 -1.321 -2.080 -8.780 245 HD1 HIS 39 HD1 HIS 39 0.527 -4.299 -9.144 246 HD2 HIS 39 HD2 HIS 39 1.897 -0.621 -7.663 247 HE1 HIS 39 HE1 HIS 39 2.712 -4.790 -7.922 248 H GLY 40 H GLY 40 -1.953 0.188 -10.020 249 HA2 GLY 40 HA2 GLY 40 -3.479 0.976 -12.002 250 HA3 GLY 40 HA3 GLY 40 -4.256 -0.559 -11.666 251 H SER 41 H SER 41 -6.209 0.624 -11.045 252 HA SER 41 HA SER 41 -5.908 2.084 -8.550 253 HB2 SER 41 HB2 SER 41 -8.446 1.951 -10.206 254 HB3 SER 41 HB3 SER 41 -7.965 3.180 -9.052 255 HG SER 41 HG SER 41 -6.227 3.787 -10.542 256 H LEU 42 H LEU 42 -7.373 1.597 -6.743 257 HA LEU 42 HA LEU 42 -7.662 -1.113 -6.256 258 HB2 LEU 42 HB2 LEU 42 -9.156 1.167 -4.956 259 HB3 LEU 42 HB3 LEU 42 -8.905 -0.435 -4.291 260 HG LEU 42 HG LEU 42 -6.442 1.056 -5.011 261 HD11 LEU 42 HD11 LEU 42 -7.933 1.859 -2.511 262 HD12 LEU 42 HD12 LEU 42 -6.469 2.583 -3.220 263 HD13 LEU 42 HD13 LEU 42 -8.041 2.778 -4.032 264 HD21 LEU 42 HD21 LEU 42 -5.625 -0.621 -3.809 265 HD22 LEU 42 HD22 LEU 42 -6.373 0.105 -2.366 266 HD23 LEU 42 HD23 LEU 42 -7.257 -1.122 -3.305 267 H ALA 43 H ALA 43 -9.913 1.297 -7.659 268 HA ALA 43 HA ALA 43 -12.191 -0.347 -7.561 269 HB1 ALA 43 HB1 ALA 43 -11.428 2.267 -8.472 270 HB2 ALA 43 HB2 ALA 43 -12.296 1.445 -9.791 271 HB3 ALA 43 HB3 ALA 43 -13.064 1.621 -8.195 272 H GLU 44 H GLU 44 -9.257 -0.637 -9.292 273 HA GLU 44 HA GLU 44 -10.612 -2.145 -11.385 274 HB2 GLU 44 HB2 GLU 44 -8.240 -0.397 -11.341 275 HB3 GLU 44 HB3 GLU 44 -7.915 -1.937 -12.112 276 HG2 GLU 44 HG2 GLU 44 -10.214 -0.053 -12.819 277 HG3 GLU 44 HG3 GLU 44 -8.743 -0.254 -13.750 278 HE2 GLU 44 HE2 GLU 44 -9.069 -2.033 -15.428 279 H MET 45 H MET 45 -9.828 -2.854 -8.449 280 HA MET 45 HA MET 45 -8.189 -5.166 -9.148 281 HB2 MET 45 HB2 MET 45 -8.587 -3.723 -6.467 282 HB3 MET 45 HB3 MET 45 -7.613 -5.167 -6.665 283 HG2 MET 45 HG2 MET 45 -6.315 -3.806 -8.491 284 HG3 MET 45 HG3 MET 45 -7.100 -2.394 -7.812 285 HE1 MET 45 HE1 MET 45 -3.741 -2.394 -7.447 286 HE2 MET 45 HE2 MET 45 -5.152 -1.310 -7.386 287 HE3 MET 45 HE3 MET 45 -4.117 -1.506 -5.951 288 H ASP 46 H ASP 46 -8.631 -6.828 -6.980 289 HA ASP 46 HA ASP 46 -10.907 -8.110 -7.638 290 HB2 ASP 46 HB2 ASP 46 -10.559 -8.590 -4.859 291 HB3 ASP 46 HB3 ASP 46 -9.944 -9.556 -6.185 292 HD2 ASP 46 HD2 ASP 46 -6.709 -8.450 -5.860 293 H ASP 47 H ASP 47 -12.656 -8.596 -5.614 294 HA ASP 47 HA ASP 47 -14.011 -6.103 -5.376 295 HB2 ASP 47 HB2 ASP 47 -14.934 -8.576 -5.755 296 HB3 ASP 47 HB3 ASP 47 -14.882 -8.659 -4.005 297 HD2 ASP 47 HD2 ASP 47 -16.020 -6.126 -6.218 298 H ASN 48 H ASN 48 -11.418 -7.201 -3.780 299 HA ASN 48 HA ASN 48 -12.466 -6.778 -1.111 300 HB2 ASN 48 HB2 ASN 48 -9.649 -7.632 -1.956 301 HB3 ASN 48 HB3 ASN 48 -10.308 -7.700 -0.334 302 HD21 ASN 48 HD21 ASN 48 -9.306 -9.946 -1.142 303 HD22 ASN 48 HD22 ASN 48 -10.491 -11.119 -1.611 304 H HIS 49 H HIS 49 -10.191 -5.566 -3.611 305 HA HIS 49 HA HIS 49 -9.158 -3.530 -1.862 306 HB2 HIS 49 HB2 HIS 49 -8.633 -4.422 -4.681 307 HB3 HIS 49 HB3 HIS 49 -8.098 -2.833 -4.169 308 HD1 HIS 49 HD1 HIS 49 -7.621 -6.512 -3.296 309 HD2 HIS 49 HD2 HIS 49 -5.778 -2.799 -2.656 310 HE1 HIS 49 HE1 HIS 49 -5.373 -7.010 -2.196 311 H LYS 50 H LYS 50 -11.663 -3.957 -4.333 312 HA LYS 50 HA LYS 50 -12.027 -1.303 -5.053 313 HB2 LYS 50 HB2 LYS 50 -13.148 -2.756 -6.423 314 HB3 LYS 50 HB3 LYS 50 -13.658 -3.799 -5.111 315 HG2 LYS 50 HG2 LYS 50 -15.525 -2.505 -4.609 316 HG3 LYS 50 HG3 LYS 50 -14.756 -1.006 -5.089 317 HD2 LYS 50 HD2 LYS 50 -16.661 -1.993 -6.605 318 HD3 LYS 50 HD3 LYS 50 -15.237 -1.319 -7.371 319 HE2 LYS 50 HE2 LYS 50 -14.369 -3.432 -7.949 320 HE3 LYS 50 HE3 LYS 50 -15.215 -4.254 -6.653 321 HZ1 LYS 50 HZ1 LYS 50 -16.616 -3.058 -8.982 322 HZ2 LYS 50 HZ2 LYS 50 -16.189 -4.627 -8.908 323 HA PRO 51 HA PRO 51 -15.551 -1.538 -1.445 324 HB2 PRO 51 HB2 PRO 51 -13.608 -3.087 0.306 325 HB3 PRO 51 HB3 PRO 51 -15.402 -3.082 0.275 326 HG2 PRO 51 HG2 PRO 51 -13.792 -4.956 -0.935 327 HG3 PRO 51 HG3 PRO 51 -15.486 -4.645 -1.436 328 HD2 PRO 51 HD2 PRO 51 -12.982 -4.113 -2.886 329 HD3 PRO 51 HD3 PRO 51 -14.663 -3.857 -3.447 330 H HIS 52 H HIS 52 -11.936 -1.506 -0.962 331 HA HIS 52 HA HIS 52 -12.216 0.707 0.851 332 HB2 HIS 52 HB2 HIS 52 -9.805 -0.749 -0.263 333 HB3 HIS 52 HB3 HIS 52 -9.702 0.588 0.865 334 HD1 HIS 52 HD1 HIS 52 -9.705 -2.980 0.836 335 HD2 HIS 52 HD2 HIS 52 -11.398 -0.075 3.344 336 HE1 HIS 52 HE1 HIS 52 -10.203 -4.149 3.049 337 H ASP 53 H ASP 53 -11.129 0.063 -2.520 338 HA ASP 53 HA ASP 53 -9.893 2.102 -3.386 339 HB2 ASP 53 HB2 ASP 53 -11.077 0.480 -4.858 340 HB3 ASP 53 HB3 ASP 53 -12.602 1.281 -4.535 341 HD2 ASP 53 HD2 ASP 53 -13.137 2.312 -6.298 342 H GLY 54 H GLY 54 -9.932 4.167 -2.415 343 HA2 GLY 54 HA2 GLY 54 -10.773 6.339 -2.476 344 HA3 GLY 54 HA3 GLY 54 -12.391 5.725 -2.746 345 H LEU 55 H LEU 55 -9.825 5.069 -0.246 346 HA LEU 55 HA LEU 55 -11.444 6.252 1.795 347 HB2 LEU 55 HB2 LEU 55 -11.391 3.307 1.391 348 HB3 LEU 55 HB3 LEU 55 -11.246 3.893 3.036 349 HG LEU 55 HG LEU 55 -13.527 4.409 1.113 350 HD11 LEU 55 HD11 LEU 55 -14.782 3.284 3.084 351 HD12 LEU 55 HD12 LEU 55 -13.853 2.272 1.952 352 HD13 LEU 55 HD13 LEU 55 -13.173 2.678 3.546 353 HD21 LEU 55 HD21 LEU 55 -14.564 5.483 3.226 354 HD22 LEU 55 HD22 LEU 55 -12.879 5.667 3.769 355 HD23 LEU 55 HD23 LEU 55 -13.414 6.431 2.253 356 H LEU 56 H LEU 56 -8.911 3.655 1.508 357 HA LEU 56 HA LEU 56 -7.111 5.500 2.914 358 HB2 LEU 56 HB2 LEU 56 -6.379 3.871 4.362 359 HB3 LEU 56 HB3 LEU 56 -8.113 3.620 4.316 360 HG LEU 56 HG LEU 56 -6.581 2.006 2.369 361 HD11 LEU 56 HD11 LEU 56 -5.750 2.104 5.152 362 HD12 LEU 56 HD12 LEU 56 -6.309 0.481 4.682 363 HD13 LEU 56 HD13 LEU 56 -5.009 1.276 3.762 364 HD21 LEU 56 HD21 LEU 56 -8.353 0.650 2.517 365 HD22 LEU 56 HD22 LEU 56 -8.352 0.681 4.297 366 HD23 LEU 56 HD23 LEU 56 -9.130 1.996 3.385 367 H MET 57 H MET 57 -4.856 5.314 2.344 368 HA MET 57 HA MET 57 -4.553 4.684 -0.392 369 HB2 MET 57 HB2 MET 57 -2.674 5.581 1.849 370 HB3 MET 57 HB3 MET 57 -2.069 5.271 0.234 371 HG2 MET 57 HG2 MET 57 -2.721 7.350 -0.400 372 HG3 MET 57 HG3 MET 57 -4.390 6.916 -0.090 373 HE1 MET 57 HE1 MET 57 -5.734 8.156 1.196 374 HE2 MET 57 HE2 MET 57 -5.298 9.385 2.407 375 HE3 MET 57 HE3 MET 57 -4.865 9.627 0.698 376 H CYS 58 H CYS 58 -2.435 3.400 -1.078 377 HA CYS 58 HA CYS 58 -2.861 0.752 -0.365 378 HB2 CYS 58 HB2 CYS 58 -0.299 1.804 -1.554 379 HB3 CYS 58 HB3 CYS 58 -1.018 0.218 -1.752 380 H ALA 59 H ALA 59 0.153 2.727 0.188 381 HA ALA 59 HA ALA 59 1.449 1.158 1.918 382 HB1 ALA 59 HB1 ALA 59 2.483 3.191 2.786 383 HB2 ALA 59 HB2 ALA 59 2.183 3.380 1.042 384 HB3 ALA 59 HB3 ALA 59 1.107 4.168 2.221 385 H ASP 60 H ASP 60 -1.115 3.557 2.854 386 HA ASP 60 HA ASP 60 -1.177 3.364 5.453 387 HB2 ASP 60 HB2 ASP 60 -3.576 3.046 3.592 388 HB3 ASP 60 HB3 ASP 60 -3.731 3.392 5.303 389 HD2 ASP 60 HD2 ASP 60 -3.961 6.611 3.854 390 H CYS 61 H CYS 61 -2.007 0.772 3.143 391 HA CYS 61 HA CYS 61 -2.740 -0.963 5.379 392 HB2 CYS 61 HB2 CYS 61 -3.797 -0.645 2.704 393 HB3 CYS 61 HB3 CYS 61 -3.237 -2.290 2.929 394 H HIS 62 H HIS 62 -0.817 -0.756 2.303 395 HA HIS 62 HA HIS 62 0.718 -3.063 3.132 396 HB2 HIS 62 HB2 HIS 62 0.727 -1.383 0.612 397 HB3 HIS 62 HB3 HIS 62 1.821 -2.723 0.891 398 HD1 HIS 62 HD1 HIS 62 0.295 -5.050 1.701 399 HD2 HIS 62 HD2 HIS 62 -1.420 -2.192 -0.845 400 HE1 HIS 62 HE1 HIS 62 -1.627 -6.223 0.502 401 H ALA 63 H ALA 63 1.191 -1.395 5.095 402 HA ALA 63 HA ALA 63 2.792 0.732 4.969 403 HB1 ALA 63 HB1 ALA 63 3.552 -1.489 6.857 404 HB2 ALA 63 HB2 ALA 63 3.361 0.252 7.173 405 HB3 ALA 63 HB3 ALA 63 1.924 -0.775 6.958 406 HA PRO 64 HA PRO 64 6.025 -0.990 2.319 407 HB2 PRO 64 HB2 PRO 64 6.648 1.925 2.075 408 HB3 PRO 64 HB3 PRO 64 6.257 0.707 0.817 409 HG2 PRO 64 HG2 PRO 64 4.240 2.586 1.401 410 HG3 PRO 64 HG3 PRO 64 4.082 0.847 0.991 411 HD2 PRO 64 HD2 PRO 64 4.263 2.177 3.761 412 HD3 PRO 64 HD3 PRO 64 2.964 1.116 3.136 413 H HIS 65 H HIS 65 6.589 1.991 4.385 414 HA HIS 65 HA HIS 65 9.218 0.996 4.974 415 HB2 HIS 65 HB2 HIS 65 7.694 3.491 5.745 416 HB3 HIS 65 HB3 HIS 65 9.278 3.120 6.395 417 HD1 HIS 65 HD1 HIS 65 10.940 2.281 4.067 418 HD2 HIS 65 HD2 HIS 65 8.037 5.292 3.737 419 HE1 HIS 65 HE1 HIS 65 11.594 3.686 2.040 420 H GLU 66 H GLU 66 7.738 -1.017 5.817 421 HA GLU 66 HA GLU 66 8.288 -1.189 8.496 422 HB2 GLU 66 HB2 GLU 66 6.461 0.383 8.904 423 HB3 GLU 66 HB3 GLU 66 5.363 -0.562 7.917 424 HG2 GLU 66 HG2 GLU 66 5.315 -2.372 9.498 425 HG3 GLU 66 HG3 GLU 66 6.732 -1.783 10.344 426 HE2 GLU 66 HE2 GLU 66 3.154 -0.238 11.206 427 H ALA 67 H ALA 67 5.509 -2.167 6.350 428 HA ALA 67 HA ALA 67 5.543 -4.839 7.171 429 HB1 ALA 67 HB1 ALA 67 3.917 -5.148 5.491 430 HB2 ALA 67 HB2 ALA 67 3.736 -3.435 5.941 431 HB3 ALA 67 HB3 ALA 67 4.612 -3.878 4.456 432 H LYS 68 H LYS 68 6.103 -6.751 5.772 433 HA LYS 68 HA LYS 68 8.442 -6.158 4.101 434 HB2 LYS 68 HB2 LYS 68 8.235 -8.530 5.970 435 HB3 LYS 68 HB3 LYS 68 9.625 -8.022 5.032 436 HG2 LYS 68 HG2 LYS 68 10.269 -6.544 6.633 437 HG3 LYS 68 HG3 LYS 68 8.681 -5.805 6.679 438 HD2 LYS 68 HD2 LYS 68 7.865 -7.405 8.292 439 HD3 LYS 68 HD3 LYS 68 9.231 -8.474 8.038 440 HE2 LYS 68 HE2 LYS 68 10.524 -7.344 9.538 441 HE3 LYS 68 HE3 LYS 68 10.129 -5.791 8.828 442 HZ1 LYS 68 HZ1 LYS 68 7.820 -6.409 10.056 443 HZ2 LYS 68 HZ2 LYS 68 8.872 -7.124 11.073 444 H VAL 69 H VAL 69 8.450 -7.125 2.113 445 HA VAL 69 HA VAL 69 6.261 -7.988 0.883 446 HB VAL 69 HB VAL 69 9.159 -8.612 0.575 447 HG11 VAL 69 HG11 VAL 69 8.492 -9.792 -1.632 448 HG12 VAL 69 HG12 VAL 69 8.415 -10.720 -0.116 449 HG13 VAL 69 HG13 VAL 69 6.924 -10.068 -0.836 450 HG21 VAL 69 HG21 VAL 69 8.232 -6.465 -0.192 451 HG22 VAL 69 HG22 VAL 69 8.852 -7.433 -1.551 452 HG23 VAL 69 HG23 VAL 69 7.099 -7.334 -1.255 453 H GLY 70 H GLY 70 4.915 -9.750 0.807 454 HA2 GLY 70 HA2 GLY 70 4.258 -11.921 1.099 455 HA3 GLY 70 HA3 GLY 70 5.786 -12.300 1.868 456 H GLU 71 H GLU 71 3.587 -9.582 2.747 457 HA GLU 71 HA GLU 71 2.875 -11.057 5.143 458 HB2 GLU 71 HB2 GLU 71 4.829 -9.580 5.672 459 HB3 GLU 71 HB3 GLU 71 3.908 -8.186 5.142 460 HG2 GLU 71 HG2 GLU 71 2.325 -9.724 7.043 461 HG3 GLU 71 HG3 GLU 71 3.904 -9.400 7.731 462 HE2 GLU 71 HE2 GLU 71 1.986 -6.157 6.387 463 H LYS 72 H LYS 72 0.698 -11.304 4.674 464 HA LYS 72 HA LYS 72 -0.760 -9.151 3.465 465 HB2 LYS 72 HB2 LYS 72 -2.570 -10.676 3.358 466 HB3 LYS 72 HB3 LYS 72 -1.125 -11.595 2.991 467 HG2 LYS 72 HG2 LYS 72 -1.253 -11.857 5.750 468 HG3 LYS 72 HG3 LYS 72 -2.953 -11.801 5.328 469 HD2 LYS 72 HD2 LYS 72 -2.534 -13.609 3.601 470 HD3 LYS 72 HD3 LYS 72 -0.876 -13.710 4.157 471 HE2 LYS 72 HE2 LYS 72 -1.486 -14.612 6.257 472 HE3 LYS 72 HE3 LYS 72 -3.111 -13.962 6.182 473 HZ1 LYS 72 HZ1 LYS 72 -2.203 -16.479 5.260 474 HZ2 LYS 72 HZ2 LYS 72 -3.737 -15.938 5.353 475 HA PRO 73 HA PRO 73 -1.313 -6.833 7.184 476 HB2 PRO 73 HB2 PRO 73 -3.657 -5.958 5.440 477 HB3 PRO 73 HB3 PRO 73 -2.549 -4.991 6.466 478 HG2 PRO 73 HG2 PRO 73 -2.150 -5.185 3.751 479 HG3 PRO 73 HG3 PRO 73 -0.774 -5.211 4.902 480 HD2 PRO 73 HD2 PRO 73 -2.155 -7.487 3.425 481 HD3 PRO 73 HD3 PRO 73 -0.421 -7.281 3.819 482 H THR 74 H THR 74 -2.927 -6.768 8.946 483 HA THR 74 HA THR 74 -4.847 -8.983 8.694 484 HB THR 74 HB THR 74 -4.644 -8.932 11.252 485 HG1 THR 74 HG1 THR 74 -2.564 -7.671 11.789 486 HG21 THR 74 HG21 THR 74 -2.698 -10.229 11.277 487 HG22 THR 74 HG22 THR 74 -3.018 -10.245 9.526 488 HG23 THR 74 HG23 THR 74 -1.823 -9.111 10.202 489 H CYS 75 H CYS 75 -6.973 -8.594 8.688 490 HA CYS 75 HA CYS 75 -7.935 -6.012 8.526 491 HB2 CYS 75 HB2 CYS 75 -9.615 -8.352 9.404 492 HB3 CYS 75 HB3 CYS 75 -10.098 -6.947 8.475 493 H ASP 76 H ASP 76 -7.120 -8.077 11.260 494 HA ASP 76 HA ASP 76 -8.797 -6.912 13.146 495 HB2 ASP 76 HB2 ASP 76 -6.104 -8.325 13.347 496 HB3 ASP 76 HB3 ASP 76 -6.969 -7.783 14.771 497 HD2 ASP 76 HD2 ASP 76 -7.652 -10.880 14.938 498 H THR 77 H THR 77 -6.205 -5.637 11.335 499 HA THR 77 HA THR 77 -5.211 -3.891 13.444 500 HB THR 77 HB THR 77 -4.466 -4.182 10.485 501 HG1 THR 77 HG1 THR 77 -3.305 -5.888 11.301 502 HG21 THR 77 HG21 THR 77 -2.414 -3.375 12.450 503 HG22 THR 77 HG22 THR 77 -2.798 -2.655 10.867 504 HG23 THR 77 HG23 THR 77 -3.721 -2.174 12.311 505 H CYS 78 H CYS 78 -8.058 -3.902 12.087 506 HA CYS 78 HA CYS 78 -8.283 -1.078 12.203 507 HB2 CYS 78 HB2 CYS 78 -8.155 -2.391 9.529 508 HB3 CYS 78 HB3 CYS 78 -9.416 -1.197 9.760 509 H HIS 79 H HIS 79 -9.776 -4.071 10.757 510 HA HIS 79 HA HIS 79 -12.331 -3.267 11.853 511 HB2 HIS 79 HB2 HIS 79 -11.565 -5.626 10.109 512 HB3 HIS 79 HB3 HIS 79 -13.198 -5.195 10.576 513 HD1 HIS 79 HD1 HIS 79 -13.688 -2.422 9.900 514 HD2 HIS 79 HD2 HIS 79 -11.007 -4.699 7.615 515 HE1 HIS 79 HE1 HIS 79 -13.491 -1.244 7.645 516 H ASP 80 H ASP 80 -13.415 -4.330 13.523 517 HA ASP 80 HA ASP 80 -11.906 -6.502 14.745 518 HB2 ASP 80 HB2 ASP 80 -13.172 -4.051 16.012 519 HB3 ASP 80 HB3 ASP 80 -12.974 -5.516 16.952 520 HD2 ASP 80 HD2 ASP 80 -11.603 -3.428 17.886 521 H ASP 81 H ASP 81 -14.052 -6.800 12.857 522 HA ASP 81 HA ASP 81 -16.234 -7.578 14.630 523 HB2 ASP 81 HB2 ASP 81 -17.593 -7.474 12.396 524 HB3 ASP 81 HB3 ASP 81 -17.204 -5.972 13.210 525 HD2 ASP 81 HD2 ASP 81 -15.945 -4.788 10.268 526 H GLY 82 H GLY 82 -13.704 -9.037 13.783 527 HA2 GLY 82 HA2 GLY 82 -13.314 -11.260 13.431 528 HA3 GLY 82 HA3 GLY 82 -14.968 -11.486 12.899 529 H ARG 83 H ARG 83 -14.182 -8.818 11.182 530 HA ARG 83 HA ARG 83 -14.249 -9.796 8.776 531 HB2 ARG 83 HB2 ARG 83 -13.266 -7.377 9.956 532 HB3 ARG 83 HB3 ARG 83 -12.077 -7.848 8.758 533 HG2 ARG 83 HG2 ARG 83 -13.955 -6.373 7.871 534 HG3 ARG 83 HG3 ARG 83 -13.713 -7.865 6.984 535 HD2 ARG 83 HD2 ARG 83 -15.833 -8.547 7.441 536 HD3 ARG 83 HD3 ARG 83 -15.569 -8.365 9.164 537 HE ARG 83 HE ARG 83 -16.583 -6.239 9.094 538 H THR 84 H THR 84 -13.073 -11.172 7.453 539 HA THR 84 HA THR 84 -10.263 -11.648 8.196 540 HB THR 84 HB THR 84 -10.822 -14.064 7.406 541 HG1 THR 84 HG1 THR 84 -13.259 -14.346 7.757 542 HG21 THR 84 HG21 THR 84 -11.052 -14.583 9.621 543 HG22 THR 84 HG22 THR 84 -11.173 -12.839 9.954 544 HG23 THR 84 HG23 THR 84 -12.648 -13.798 9.678 545 H ALA 85 H ALA 85 -8.867 -12.361 6.432 546 HA ALA 85 HA ALA 85 -9.467 -10.847 4.076 547 HB1 ALA 85 HB1 ALA 85 -7.220 -10.800 4.922 548 HB2 ALA 85 HB2 ALA 85 -7.134 -12.577 4.972 549 HB3 ALA 85 HB3 ALA 85 -7.178 -11.733 3.406 550 H LYS 86 H LYS 86 -9.630 -11.691 1.909 551 HA LYS 86 HA LYS 86 -10.597 -14.463 1.898 552 HB2 LYS 86 HB2 LYS 86 -11.862 -12.104 1.092 553 HB3 LYS 86 HB3 LYS 86 -11.340 -12.842 -0.409 554 HG2 LYS 86 HG2 LYS 86 -12.539 -14.872 0.031 555 HG3 LYS 86 HG3 LYS 86 -12.725 -14.497 1.733 556 HD2 LYS 86 HD2 LYS 86 -14.089 -12.412 0.924 557 HD3 LYS 86 HD3 LYS 86 -14.149 -13.218 -0.631 558 HE2 LYS 86 HE2 LYS 86 -15.164 -15.238 0.468 559 HE3 LYS 86 HE3 LYS 86 -15.129 -14.406 2.010 560 HZ1 LYS 86 HZ1 LYS 86 -17.111 -13.550 1.430 561 HZ2 LYS 86 HZ2 LYS 86 -16.388 -12.668 0.267 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 18.284 -11.650 3.235 2 HA ALA 1 HA ALA 1 16.176 -12.776 3.418 3 HB1 ALA 1 HB1 ALA 1 16.864 -11.093 5.861 4 HB2 ALA 1 HB2 ALA 1 15.838 -12.547 5.872 5 HB3 ALA 1 HB3 ALA 1 17.560 -12.676 5.438 6 H ASP 2 H ASP 2 14.009 -12.219 5.010 7 HA ASP 2 HA ASP 2 12.273 -11.028 3.417 8 HB2 ASP 2 HB2 ASP 2 12.338 -10.819 6.464 9 HB3 ASP 2 HB3 ASP 2 10.916 -10.502 5.491 10 HD2 ASP 2 HD2 ASP 2 10.252 -12.376 4.173 11 H GLU 3 H GLU 3 12.652 -9.031 2.389 12 HA GLU 3 HA GLU 3 13.627 -6.869 4.058 13 HB2 GLU 3 HB2 GLU 3 14.203 -5.739 1.970 14 HB3 GLU 3 HB3 GLU 3 14.836 -7.373 1.934 15 HG2 GLU 3 HG2 GLU 3 12.413 -7.856 0.807 16 HG3 GLU 3 HG3 GLU 3 12.578 -6.171 0.354 17 HE2 GLU 3 HE2 GLU 3 15.006 -5.836 -0.244 18 H THR 4 H THR 4 12.664 -4.590 3.339 19 HA THR 4 HA THR 4 9.836 -4.784 3.808 20 HB THR 4 HB THR 4 10.085 -2.267 3.883 21 HG1 THR 4 HG1 THR 4 11.971 -1.479 2.996 22 HG21 THR 4 HG21 THR 4 12.555 -2.998 5.330 23 HG22 THR 4 HG22 THR 4 11.023 -2.361 5.975 24 HG23 THR 4 HG23 THR 4 11.211 -4.108 5.691 25 H LEU 5 H LEU 5 8.223 -3.566 2.506 26 HA LEU 5 HA LEU 5 8.314 -4.481 -0.144 27 HB2 LEU 5 HB2 LEU 5 6.351 -3.872 1.501 28 HB3 LEU 5 HB3 LEU 5 6.476 -2.296 0.744 29 HG LEU 5 HG LEU 5 6.432 -4.020 -1.428 30 HD11 LEU 5 HD11 LEU 5 4.189 -4.991 0.310 31 HD12 LEU 5 HD12 LEU 5 4.911 -5.726 -1.141 32 HD13 LEU 5 HD13 LEU 5 5.787 -5.768 0.408 33 HD21 LEU 5 HD21 LEU 5 3.875 -2.882 -0.352 34 HD22 LEU 5 HD22 LEU 5 5.201 -1.789 -0.816 35 HD23 LEU 5 HD23 LEU 5 4.507 -2.905 -2.016 36 H ALA 6 H ALA 6 9.061 -1.338 1.417 37 HA ALA 6 HA ALA 6 9.243 0.167 -0.924 38 HB1 ALA 6 HB1 ALA 6 9.879 0.401 1.914 39 HB2 ALA 6 HB2 ALA 6 11.109 1.199 0.904 40 HB3 ALA 6 HB3 ALA 6 9.396 1.661 0.753 41 H GLU 7 H GLU 7 11.402 -2.205 0.594 42 HA GLU 7 HA GLU 7 13.685 -1.381 -0.839 43 HB2 GLU 7 HB2 GLU 7 12.921 -3.676 0.930 44 HB3 GLU 7 HB3 GLU 7 14.271 -3.945 -0.155 45 HG2 GLU 7 HG2 GLU 7 14.044 -1.573 1.757 46 HG3 GLU 7 HG3 GLU 7 14.957 -3.030 2.095 47 HE2 GLU 7 HE2 GLU 7 16.846 -0.255 0.285 48 H PHE 8 H PHE 8 11.524 -4.301 -1.128 49 HA PHE 8 HA PHE 8 12.567 -5.426 -3.337 50 HB2 PHE 8 HB2 PHE 8 10.630 -6.291 -2.040 51 HB3 PHE 8 HB3 PHE 8 9.659 -4.903 -2.490 52 HD1 PHE 8 HD1 PHE 8 11.518 -7.717 -4.094 53 HD2 PHE 8 HD2 PHE 8 8.150 -5.138 -4.220 54 HE1 PHE 8 HE1 PHE 8 10.622 -8.983 -6.068 55 HE2 PHE 8 HE2 PHE 8 7.254 -6.405 -6.193 56 HZ PHE 8 HZ PHE 8 8.501 -8.312 -7.094 57 H HIS 9 H HIS 9 10.415 -2.543 -3.194 58 HA HIS 9 HA HIS 9 10.102 -2.420 -6.006 59 HB2 HIS 9 HB2 HIS 9 9.449 -0.644 -3.677 60 HB3 HIS 9 HB3 HIS 9 9.388 0.021 -5.297 61 HD1 HIS 9 HD1 HIS 9 7.721 -2.562 -3.088 62 HD2 HIS 9 HD2 HIS 9 7.219 -0.814 -6.868 63 HE1 HIS 9 HE1 HIS 9 5.412 -3.277 -3.905 64 H VAL 10 H VAL 10 12.348 -1.010 -3.593 65 HA VAL 10 HA VAL 10 13.520 0.899 -5.233 66 HB VAL 10 HB VAL 10 14.347 -0.662 -2.815 67 HG11 VAL 10 HG11 VAL 10 16.499 -0.515 -3.536 68 HG12 VAL 10 HG12 VAL 10 16.151 0.824 -4.656 69 HG13 VAL 10 HG13 VAL 10 16.342 1.147 -2.916 70 HG21 VAL 10 HG21 VAL 10 12.960 1.740 -3.285 71 HG22 VAL 10 HG22 VAL 10 13.544 1.112 -1.725 72 HG23 VAL 10 HG23 VAL 10 14.561 2.224 -2.673 73 H GLU 11 H GLU 11 14.556 -2.520 -4.552 74 HA GLU 11 HA GLU 11 16.702 -2.534 -6.224 75 HB2 GLU 11 HB2 GLU 11 15.955 -4.327 -4.569 76 HB3 GLU 11 HB3 GLU 11 14.817 -4.888 -5.779 77 HG2 GLU 11 HG2 GLU 11 16.898 -4.997 -7.379 78 HG3 GLU 11 HG3 GLU 11 17.853 -4.895 -5.913 79 HE2 GLU 11 HE2 GLU 11 18.357 -7.503 -5.775 80 H MET 12 H MET 12 13.324 -2.318 -7.018 81 HA MET 12 HA MET 12 13.867 -3.204 -9.733 82 HB2 MET 12 HB2 MET 12 11.530 -3.162 -7.909 83 HB3 MET 12 HB3 MET 12 11.129 -2.522 -9.490 84 HG2 MET 12 HG2 MET 12 11.129 -4.604 -10.401 85 HG3 MET 12 HG3 MET 12 12.757 -4.907 -9.829 86 HE1 MET 12 HE1 MET 12 9.537 -3.923 -8.379 87 HE2 MET 12 HE2 MET 12 8.864 -5.373 -7.596 88 HE3 MET 12 HE3 MET 12 9.985 -4.318 -6.703 89 H GLY 13 H GLY 13 14.624 -0.532 -8.316 90 HA2 GLY 13 HA2 GLY 13 14.395 1.157 -10.503 91 HA3 GLY 13 HA3 GLY 13 13.024 1.507 -9.469 92 H GLY 14 H GLY 14 13.472 1.997 -7.113 93 HA2 GLY 14 HA2 GLY 14 15.844 2.395 -5.894 94 HA3 GLY 14 HA3 GLY 14 15.728 3.798 -6.938 95 H CYS 15 H CYS 15 15.734 4.848 -4.668 96 HA CYS 15 HA CYS 15 13.415 4.569 -3.087 97 HB2 CYS 15 HB2 CYS 15 15.557 6.702 -3.155 98 HB3 CYS 15 HB3 CYS 15 14.267 6.645 -1.970 99 H GLU 16 H GLU 16 14.163 6.141 -6.083 100 HA GLU 16 HA GLU 16 12.248 8.235 -5.734 101 HB2 GLU 16 HB2 GLU 16 14.021 7.327 -8.024 102 HB3 GLU 16 HB3 GLU 16 12.781 8.540 -8.276 103 HG2 GLU 16 HG2 GLU 16 14.217 9.240 -5.872 104 HG3 GLU 16 HG3 GLU 16 15.401 8.874 -7.110 105 HE2 GLU 16 HE2 GLU 16 15.899 11.038 -7.364 106 H ASN 17 H ASN 17 11.699 5.107 -5.783 107 HA ASN 17 HA ASN 17 10.096 4.739 -8.053 108 HB2 ASN 17 HB2 ASN 17 11.178 2.989 -6.386 109 HB3 ASN 17 HB3 ASN 17 9.731 3.236 -5.429 110 HD21 ASN 17 HD21 ASN 17 7.659 3.291 -6.869 111 HD22 ASN 17 HD22 ASN 17 7.472 1.959 -7.960 112 H CYS 18 H CYS 18 9.691 6.183 -4.853 113 HA CYS 18 HA CYS 18 6.968 6.868 -5.543 114 HB2 CYS 18 HB2 CYS 18 7.410 5.819 -2.761 115 HB3 CYS 18 HB3 CYS 18 5.915 6.004 -3.656 116 H HIS 19 H HIS 19 9.718 8.123 -5.347 117 HA HIS 19 HA HIS 19 8.917 10.286 -3.596 118 HB2 HIS 19 HB2 HIS 19 11.565 8.838 -3.325 119 HB3 HIS 19 HB3 HIS 19 11.207 10.391 -2.596 120 HD1 HIS 19 HD1 HIS 19 8.333 9.819 -1.525 121 HD2 HIS 19 HD2 HIS 19 11.590 7.209 -1.112 122 HE1 HIS 19 HE1 HIS 19 7.805 8.329 0.478 123 H ALA 20 H ALA 20 9.375 12.264 -4.498 124 HA ALA 20 HA ALA 20 10.777 12.172 -7.056 125 HB1 ALA 20 HB1 ALA 20 9.779 14.594 -7.095 126 HB2 ALA 20 HB2 ALA 20 8.689 13.204 -7.311 127 HB3 ALA 20 HB3 ALA 20 8.787 14.020 -5.733 128 H ASP 21 H ASP 21 12.918 12.621 -7.054 129 HA ASP 21 HA ASP 21 14.850 13.435 -6.499 130 HB2 ASP 21 HB2 ASP 21 13.032 15.764 -5.839 131 HB3 ASP 21 HB3 ASP 21 14.736 15.888 -5.452 132 HD2 ASP 21 HD2 ASP 21 13.300 14.394 -8.194 133 H GLY 22 H GLY 22 13.266 11.883 -4.462 134 HA2 GLY 22 HA2 GLY 22 13.420 11.236 -2.317 135 HA3 GLY 22 HA3 GLY 22 14.972 12.048 -2.266 136 H GLU 23 H GLU 23 11.469 13.031 -2.470 137 HA GLU 23 HA GLU 23 11.808 14.495 -0.031 138 HB2 GLU 23 HB2 GLU 23 12.477 15.976 -2.109 139 HB3 GLU 23 HB3 GLU 23 10.750 16.058 -2.399 140 HG2 GLU 23 HG2 GLU 23 10.352 17.018 -0.181 141 HG3 GLU 23 HG3 GLU 23 12.021 16.756 0.287 142 HE2 GLU 23 HE2 GLU 23 12.957 18.512 -2.563 143 HA PRO 24 HA PRO 24 7.950 11.870 -0.806 144 HB2 PRO 24 HB2 PRO 24 8.243 12.206 2.199 145 HB3 PRO 24 HB3 PRO 24 7.758 10.779 1.226 146 HG2 PRO 24 HG2 PRO 24 10.373 11.178 2.248 147 HG3 PRO 24 HG3 PRO 24 9.795 10.208 0.854 148 HD2 PRO 24 HD2 PRO 24 11.365 12.747 0.918 149 HD3 PRO 24 HD3 PRO 24 11.117 11.608 -0.440 150 H SER 25 H SER 25 5.883 12.789 -0.972 151 HA SER 25 HA SER 25 5.594 15.486 -0.648 152 HB2 SER 25 HB2 SER 25 4.109 13.504 -1.778 153 HB3 SER 25 HB3 SER 25 3.144 13.789 -0.343 154 HG SER 25 HG SER 25 3.204 15.244 -2.613 155 H LYS 26 H LYS 26 3.994 16.643 0.858 156 HA LYS 26 HA LYS 26 4.426 15.630 3.564 157 HB2 LYS 26 HB2 LYS 26 4.120 17.898 4.298 158 HB3 LYS 26 HB3 LYS 26 5.283 17.882 2.988 159 HG2 LYS 26 HG2 LYS 26 3.384 18.455 1.387 160 HG3 LYS 26 HG3 LYS 26 2.328 18.626 2.775 161 HD2 LYS 26 HD2 LYS 26 4.786 20.138 3.212 162 HD3 LYS 26 HD3 LYS 26 4.077 20.591 1.675 163 HE2 LYS 26 HE2 LYS 26 1.843 20.481 3.346 164 HE3 LYS 26 HE3 LYS 26 3.084 21.088 4.424 165 HZ1 LYS 26 HZ1 LYS 26 3.591 22.673 2.434 166 HZ2 LYS 26 HZ2 LYS 26 2.079 22.316 1.946 167 H ASP 27 H ASP 27 2.413 14.504 1.668 168 HA ASP 27 HA ASP 27 0.131 15.005 3.387 169 HB2 ASP 27 HB2 ASP 27 -1.248 14.628 1.157 170 HB3 ASP 27 HB3 ASP 27 -0.642 16.224 1.554 171 HD2 ASP 27 HD2 ASP 27 2.102 16.059 -0.029 172 H GLY 28 H GLY 28 1.122 13.109 0.423 173 HA2 GLY 28 HA2 GLY 28 1.745 10.733 0.979 174 HA3 GLY 28 HA3 GLY 28 0.188 10.653 1.778 175 H ALA 29 H ALA 29 -1.350 12.276 -0.071 176 HA ALA 29 HA ALA 29 -2.239 10.390 -1.832 177 HB1 ALA 29 HB1 ALA 29 -2.289 13.426 -2.071 178 HB2 ALA 29 HB2 ALA 29 -3.330 12.306 -2.982 179 HB3 ALA 29 HB3 ALA 29 -3.474 12.414 -1.211 180 H TYR 30 H TYR 30 -0.080 13.166 -2.544 181 HA TYR 30 HA TYR 30 0.487 12.792 -5.183 182 HB2 TYR 30 HB2 TYR 30 1.439 14.554 -3.738 183 HB3 TYR 30 HB3 TYR 30 2.503 13.355 -2.983 184 HD1 TYR 30 HD1 TYR 30 1.641 13.604 -6.603 185 HD2 TYR 30 HD2 TYR 30 4.633 14.192 -3.577 186 HE1 TYR 30 HE1 TYR 30 3.343 14.003 -8.363 187 HE2 TYR 30 HE2 TYR 30 6.334 14.591 -5.337 188 HH TYR 30 HH TYR 30 6.650 13.969 -7.849 189 H GLU 31 H GLU 31 1.912 10.886 -2.430 190 HA GLU 31 HA GLU 31 3.566 9.420 -4.164 191 HB2 GLU 31 HB2 GLU 31 2.885 9.452 -1.288 192 HB3 GLU 31 HB3 GLU 31 3.228 7.842 -1.889 193 HG2 GLU 31 HG2 GLU 31 5.368 8.630 -1.279 194 HG3 GLU 31 HG3 GLU 31 5.335 8.915 -3.008 195 HE2 GLU 31 HE2 GLU 31 4.443 11.626 -0.330 196 H PHE 32 H PHE 32 0.450 8.662 -2.455 197 HA PHE 32 HA PHE 32 0.042 6.126 -3.222 198 HB2 PHE 32 HB2 PHE 32 -1.568 7.345 -1.859 199 HB3 PHE 32 HB3 PHE 32 -1.748 8.603 -3.065 200 HD1 PHE 32 HD1 PHE 32 -1.950 4.901 -3.454 201 HD2 PHE 32 HD2 PHE 32 -4.002 8.612 -3.614 202 HE1 PHE 32 HE1 PHE 32 -3.981 3.739 -4.362 203 HE2 PHE 32 HE2 PHE 32 -6.033 7.450 -4.523 204 HZ PHE 32 HZ PHE 32 -5.998 5.027 -4.886 205 H GLU 33 H GLU 33 0.093 8.974 -5.314 206 HA GLU 33 HA GLU 33 -1.393 7.902 -7.407 207 HB2 GLU 33 HB2 GLU 33 0.196 10.270 -6.875 208 HB3 GLU 33 HB3 GLU 33 0.587 9.667 -8.473 209 HG2 GLU 33 HG2 GLU 33 -2.161 9.417 -8.493 210 HG3 GLU 33 HG3 GLU 33 -1.971 10.814 -7.452 211 HE2 GLU 33 HE2 GLU 33 0.364 11.762 -8.694 212 H GLN 34 H GLN 34 2.122 7.825 -6.597 213 HA GLN 34 HA GLN 34 3.069 6.784 -8.918 214 HB2 GLN 34 HB2 GLN 34 3.936 6.257 -6.045 215 HB3 GLN 34 HB3 GLN 34 4.873 5.748 -7.436 216 HG2 GLN 34 HG2 GLN 34 4.217 8.578 -6.547 217 HG3 GLN 34 HG3 GLN 34 5.796 7.864 -6.808 218 HE21 GLN 34 HE21 GLN 34 4.329 10.244 -7.924 219 HE22 GLN 34 HE22 GLN 34 4.469 10.118 -9.646 220 H CYS 35 H CYS 35 1.198 5.213 -6.336 221 HA CYS 35 HA CYS 35 1.741 2.587 -7.380 222 HB2 CYS 35 HB2 CYS 35 -0.429 3.055 -5.399 223 HB3 CYS 35 HB3 CYS 35 0.737 1.751 -5.510 224 H GLN 36 H GLN 36 0.795 4.099 -9.464 225 HA GLN 36 HA GLN 36 -1.723 2.832 -9.943 226 HB2 GLN 36 HB2 GLN 36 -1.751 5.485 -9.008 227 HB3 GLN 36 HB3 GLN 36 -1.931 5.652 -10.743 228 HG2 GLN 36 HG2 GLN 36 -4.017 4.687 -10.759 229 HG3 GLN 36 HG3 GLN 36 -3.580 3.472 -9.574 230 HE21 GLN 36 HE21 GLN 36 -3.437 7.026 -9.497 231 HE22 GLN 36 HE22 GLN 36 -4.452 7.259 -8.112 232 H SER 37 H SER 37 0.101 1.793 -11.291 233 HA SER 37 HA SER 37 -0.171 2.731 -13.911 234 HB2 SER 37 HB2 SER 37 2.198 3.632 -12.401 235 HB3 SER 37 HB3 SER 37 2.629 2.771 -13.865 236 HG SER 37 HG SER 37 0.729 4.325 -14.726 237 H CYS 38 H CYS 38 2.560 1.126 -12.113 238 HA CYS 38 HA CYS 38 2.608 -1.031 -13.924 239 HB2 CYS 38 HB2 CYS 38 3.830 -1.106 -11.165 240 HB3 CYS 38 HB3 CYS 38 4.384 -1.887 -12.632 241 H HIS 39 H HIS 39 0.467 -0.135 -11.433 242 HA HIS 39 HA HIS 39 -0.300 -2.936 -11.034 243 HB2 HIS 39 HB2 HIS 39 -0.501 -0.581 -9.141 244 HB3 HIS 39 HB3 HIS 39 -1.332 -2.102 -8.880 245 HD1 HIS 39 HD1 HIS 39 0.553 -4.284 -9.124 246 HD2 HIS 39 HD2 HIS 39 1.854 -0.528 -7.784 247 HE1 HIS 39 HE1 HIS 39 2.736 -4.690 -7.868 248 H GLY 40 H GLY 40 -2.106 0.023 -10.122 249 HA2 GLY 40 HA2 GLY 40 -3.653 0.611 -12.214 250 HA3 GLY 40 HA3 GLY 40 -4.362 -0.908 -11.701 251 H SER 41 H SER 41 -6.350 0.174 -11.099 252 HA SER 41 HA SER 41 -6.041 1.876 -8.754 253 HB2 SER 41 HB2 SER 41 -7.287 3.214 -10.156 254 HB3 SER 41 HB3 SER 41 -7.930 1.859 -11.062 255 HG SER 41 HG SER 41 -8.837 2.946 -8.559 256 H LEU 42 H LEU 42 -7.389 1.458 -6.881 257 HA LEU 42 HA LEU 42 -7.733 -1.211 -6.266 258 HB2 LEU 42 HB2 LEU 42 -9.139 1.162 -5.036 259 HB3 LEU 42 HB3 LEU 42 -8.918 -0.415 -4.304 260 HG LEU 42 HG LEU 42 -6.435 0.977 -5.150 261 HD11 LEU 42 HD11 LEU 42 -8.356 2.145 -3.192 262 HD12 LEU 42 HD12 LEU 42 -6.624 2.171 -2.782 263 HD13 LEU 42 HD13 LEU 42 -7.195 2.940 -4.283 264 HD21 LEU 42 HD21 LEU 42 -6.207 0.150 -2.518 265 HD22 LEU 42 HD22 LEU 42 -7.297 -1.056 -3.242 266 HD23 LEU 42 HD23 LEU 42 -5.696 -0.757 -3.961 267 H ALA 43 H ALA 43 -9.910 1.128 -7.846 268 HA ALA 43 HA ALA 43 -12.229 -0.489 -7.579 269 HB1 ALA 43 HB1 ALA 43 -11.821 2.103 -8.116 270 HB2 ALA 43 HB2 ALA 43 -11.918 1.510 -9.791 271 HB3 ALA 43 HB3 ALA 43 -13.278 1.247 -8.674 272 H GLU 44 H GLU 44 -9.346 -0.962 -9.251 273 HA GLU 44 HA GLU 44 -10.763 -2.550 -11.246 274 HB2 GLU 44 HB2 GLU 44 -9.131 -0.425 -11.829 275 HB3 GLU 44 HB3 GLU 44 -7.958 -1.727 -11.844 276 HG2 GLU 44 HG2 GLU 44 -8.655 -2.203 -13.952 277 HG3 GLU 44 HG3 GLU 44 -10.139 -2.810 -13.245 278 HE2 GLU 44 HE2 GLU 44 -9.946 0.387 -15.428 279 H MET 45 H MET 45 -9.868 -3.204 -8.448 280 HA MET 45 HA MET 45 -7.905 -5.246 -9.156 281 HB2 MET 45 HB2 MET 45 -8.464 -3.799 -6.510 282 HB3 MET 45 HB3 MET 45 -7.393 -5.181 -6.627 283 HG2 MET 45 HG2 MET 45 -6.269 -3.712 -8.583 284 HG3 MET 45 HG3 MET 45 -7.013 -2.388 -7.709 285 HE1 MET 45 HE1 MET 45 -4.018 -1.520 -6.028 286 HE2 MET 45 HE2 MET 45 -3.532 -2.380 -7.509 287 HE3 MET 45 HE3 MET 45 -5.007 -1.384 -7.501 288 H ASP 46 H ASP 46 -8.107 -6.939 -6.961 289 HA ASP 46 HA ASP 46 -10.154 -8.552 -7.613 290 HB2 ASP 46 HB2 ASP 46 -9.791 -8.892 -4.806 291 HB3 ASP 46 HB3 ASP 46 -9.042 -9.812 -6.095 292 HD2 ASP 46 HD2 ASP 46 -6.008 -8.851 -5.189 293 H ASP 47 H ASP 47 -11.883 -9.252 -5.660 294 HA ASP 47 HA ASP 47 -13.575 -6.969 -5.479 295 HB2 ASP 47 HB2 ASP 47 -14.090 -9.592 -5.834 296 HB3 ASP 47 HB3 ASP 47 -14.179 -9.576 -4.084 297 HD2 ASP 47 HD2 ASP 47 -16.900 -8.791 -6.497 298 H ASN 48 H ASN 48 -10.910 -7.694 -3.795 299 HA ASN 48 HA ASN 48 -12.101 -7.392 -1.166 300 HB2 ASN 48 HB2 ASN 48 -9.180 -7.939 -1.906 301 HB3 ASN 48 HB3 ASN 48 -9.874 -8.045 -0.301 302 HD21 ASN 48 HD21 ASN 48 -8.560 -10.167 -1.203 303 HD22 ASN 48 HD22 ASN 48 -9.614 -11.478 -1.615 304 H HIS 49 H HIS 49 -10.081 -5.878 -3.674 305 HA HIS 49 HA HIS 49 -9.259 -3.751 -1.898 306 HB2 HIS 49 HB2 HIS 49 -8.633 -4.499 -4.751 307 HB3 HIS 49 HB3 HIS 49 -8.206 -2.921 -4.120 308 HD1 HIS 49 HD1 HIS 49 -7.511 -6.617 -3.490 309 HD2 HIS 49 HD2 HIS 49 -5.902 -2.850 -2.586 310 HE1 HIS 49 HE1 HIS 49 -5.246 -7.050 -2.398 311 H LYS 50 H LYS 50 -11.541 -4.422 -4.570 312 HA LYS 50 HA LYS 50 -12.250 -1.852 -5.230 313 HB2 LYS 50 HB2 LYS 50 -13.632 -4.511 -5.293 314 HB3 LYS 50 HB3 LYS 50 -14.572 -3.070 -5.624 315 HG2 LYS 50 HG2 LYS 50 -12.694 -2.416 -7.296 316 HG3 LYS 50 HG3 LYS 50 -12.102 -4.055 -7.109 317 HD2 LYS 50 HD2 LYS 50 -15.014 -3.533 -7.806 318 HD3 LYS 50 HD3 LYS 50 -13.785 -3.537 -9.056 319 HE2 LYS 50 HE2 LYS 50 -13.351 -5.864 -7.407 320 HE3 LYS 50 HE3 LYS 50 -15.060 -5.800 -7.789 321 HZ1 LYS 50 HZ1 LYS 50 -14.486 -5.631 -10.143 322 HZ2 LYS 50 HZ2 LYS 50 -12.891 -5.620 -9.813 323 HA PRO 51 HA PRO 51 -15.838 -2.661 -1.704 324 HB2 PRO 51 HB2 PRO 51 -13.566 -3.641 0.078 325 HB3 PRO 51 HB3 PRO 51 -15.325 -3.982 0.146 326 HG2 PRO 51 HG2 PRO 51 -13.470 -5.621 -1.147 327 HG3 PRO 51 HG3 PRO 51 -15.200 -5.700 -1.614 328 HD2 PRO 51 HD2 PRO 51 -12.935 -4.756 -3.183 329 HD3 PRO 51 HD3 PRO 51 -14.665 -4.729 -3.642 330 H HIS 52 H HIS 52 -12.322 -1.816 -1.177 331 HA HIS 52 HA HIS 52 -13.111 0.399 0.465 332 HB2 HIS 52 HB2 HIS 52 -10.423 -0.541 -0.570 333 HB3 HIS 52 HB3 HIS 52 -10.634 0.850 0.475 334 HD1 HIS 52 HD1 HIS 52 -9.867 -2.642 0.647 335 HD2 HIS 52 HD2 HIS 52 -12.127 -0.013 3.009 336 HE1 HIS 52 HE1 HIS 52 -10.100 -3.754 2.932 337 H ASP 53 H ASP 53 -11.265 0.051 -2.655 338 HA ASP 53 HA ASP 53 -10.717 1.778 -4.008 339 HB2 ASP 53 HB2 ASP 53 -12.324 0.511 -5.252 340 HB3 ASP 53 HB3 ASP 53 -13.666 1.113 -4.299 341 HD2 ASP 53 HD2 ASP 53 -14.255 2.345 -7.205 342 H GLY 54 H GLY 54 -10.193 3.667 -2.718 343 HA2 GLY 54 HA2 GLY 54 -10.481 5.912 -2.383 344 HA3 GLY 54 HA3 GLY 54 -12.168 5.784 -2.840 345 H LEU 55 H LEU 55 -9.958 4.503 -0.242 346 HA LEU 55 HA LEU 55 -11.740 5.600 1.747 347 HB2 LEU 55 HB2 LEU 55 -11.557 2.699 1.137 348 HB3 LEU 55 HB3 LEU 55 -11.542 3.157 2.828 349 HG LEU 55 HG LEU 55 -13.706 3.733 0.793 350 HD11 LEU 55 HD11 LEU 55 -13.311 1.732 2.928 351 HD12 LEU 55 HD12 LEU 55 -14.914 2.505 2.891 352 HD13 LEU 55 HD13 LEU 55 -14.297 1.665 1.447 353 HD21 LEU 55 HD21 LEU 55 -14.722 4.503 3.235 354 HD22 LEU 55 HD22 LEU 55 -13.056 5.129 3.283 355 HD23 LEU 55 HD23 LEU 55 -14.143 5.591 1.951 356 H LEU 56 H LEU 56 -8.848 3.590 0.947 357 HA LEU 56 HA LEU 56 -7.315 5.240 2.762 358 HB2 LEU 56 HB2 LEU 56 -6.349 2.847 3.542 359 HB3 LEU 56 HB3 LEU 56 -7.510 3.803 4.441 360 HG LEU 56 HG LEU 56 -9.347 2.477 3.674 361 HD11 LEU 56 HD11 LEU 56 -9.283 1.749 1.567 362 HD12 LEU 56 HD12 LEU 56 -7.504 1.744 1.526 363 HD13 LEU 56 HD13 LEU 56 -8.382 0.351 2.201 364 HD21 LEU 56 HD21 LEU 56 -8.629 0.169 4.422 365 HD22 LEU 56 HD22 LEU 56 -6.976 0.819 4.552 366 HD23 LEU 56 HD23 LEU 56 -8.282 1.502 5.551 367 H MET 57 H MET 57 -4.996 5.077 2.353 368 HA MET 57 HA MET 57 -4.533 4.601 -0.397 369 HB2 MET 57 HB2 MET 57 -3.141 5.793 1.950 370 HB3 MET 57 HB3 MET 57 -2.039 4.998 0.843 371 HG2 MET 57 HG2 MET 57 -2.189 7.243 0.034 372 HG3 MET 57 HG3 MET 57 -3.201 6.315 -1.056 373 HE1 MET 57 HE1 MET 57 -4.370 9.348 -1.288 374 HE2 MET 57 HE2 MET 57 -4.344 10.054 0.347 375 HE3 MET 57 HE3 MET 57 -2.886 9.271 -0.308 376 H CYS 58 H CYS 58 -2.445 3.350 -1.088 377 HA CYS 58 HA CYS 58 -2.822 0.679 -0.445 378 HB2 CYS 58 HB2 CYS 58 -0.280 1.828 -1.593 379 HB3 CYS 58 HB3 CYS 58 -0.938 0.219 -1.817 380 H ALA 59 H ALA 59 0.181 2.653 0.160 381 HA ALA 59 HA ALA 59 1.460 1.059 1.879 382 HB1 ALA 59 HB1 ALA 59 1.433 3.848 1.197 383 HB2 ALA 59 HB2 ALA 59 1.630 3.703 2.960 384 HB3 ALA 59 HB3 ALA 59 2.769 2.882 1.866 385 H ASP 60 H ASP 60 -1.086 3.469 2.839 386 HA ASP 60 HA ASP 60 -1.169 3.247 5.429 387 HB2 ASP 60 HB2 ASP 60 -3.550 2.957 3.542 388 HB3 ASP 60 HB3 ASP 60 -3.730 3.259 5.258 389 HD2 ASP 60 HD2 ASP 60 -3.969 6.497 4.444 390 H CYS 61 H CYS 61 -2.016 0.679 3.091 391 HA CYS 61 HA CYS 61 -2.733 -1.079 5.316 392 HB2 CYS 61 HB2 CYS 61 -3.841 -0.713 2.678 393 HB3 CYS 61 HB3 CYS 61 -3.257 -2.357 2.835 394 H HIS 62 H HIS 62 -0.740 -0.702 2.320 395 HA HIS 62 HA HIS 62 0.779 -3.060 3.095 396 HB2 HIS 62 HB2 HIS 62 0.746 -1.416 0.550 397 HB3 HIS 62 HB3 HIS 62 1.819 -2.772 0.831 398 HD1 HIS 62 HD1 HIS 62 0.194 -5.023 1.779 399 HD2 HIS 62 HD2 HIS 62 -1.371 -2.240 -0.942 400 HE1 HIS 62 HE1 HIS 62 -1.750 -6.186 0.606 401 H ALA 63 H ALA 63 1.188 -1.213 4.989 402 HA ALA 63 HA ALA 63 2.841 0.869 4.711 403 HB1 ALA 63 HB1 ALA 63 2.025 -0.883 6.773 404 HB2 ALA 63 HB2 ALA 63 3.800 -0.808 6.879 405 HB3 ALA 63 HB3 ALA 63 2.840 0.689 6.952 406 HA PRO 64 HA PRO 64 6.108 -1.140 2.329 407 HB2 PRO 64 HB2 PRO 64 6.874 1.739 1.994 408 HB3 PRO 64 HB3 PRO 64 6.524 0.474 0.771 409 HG2 PRO 64 HG2 PRO 64 4.553 2.428 1.125 410 HG3 PRO 64 HG3 PRO 64 4.317 0.679 0.805 411 HD2 PRO 64 HD2 PRO 64 4.407 2.170 3.494 412 HD3 PRO 64 HD3 PRO 64 3.112 1.105 2.867 413 H HIS 65 H HIS 65 6.708 1.887 4.317 414 HA HIS 65 HA HIS 65 9.283 0.859 5.025 415 HB2 HIS 65 HB2 HIS 65 7.744 3.352 5.775 416 HB3 HIS 65 HB3 HIS 65 9.313 2.970 6.456 417 HD1 HIS 65 HD1 HIS 65 11.056 2.190 4.194 418 HD2 HIS 65 HD2 HIS 65 8.102 5.135 3.755 419 HE1 HIS 65 HE1 HIS 65 11.749 3.603 2.187 420 H GLU 66 H GLU 66 7.965 -1.189 5.838 421 HA GLU 66 HA GLU 66 8.374 -1.412 8.489 422 HB2 GLU 66 HB2 GLU 66 6.035 0.148 8.095 423 HB3 GLU 66 HB3 GLU 66 5.457 -1.435 8.575 424 HG2 GLU 66 HG2 GLU 66 7.062 -1.382 10.532 425 HG3 GLU 66 HG3 GLU 66 7.521 0.247 10.074 426 HE2 GLU 66 HE2 GLU 66 4.258 1.460 10.521 427 H ALA 67 H ALA 67 5.774 -2.216 6.077 428 HA ALA 67 HA ALA 67 5.616 -4.918 6.920 429 HB1 ALA 67 HB1 ALA 67 4.069 -5.144 5.107 430 HB2 ALA 67 HB2 ALA 67 3.827 -3.510 5.769 431 HB3 ALA 67 HB3 ALA 67 4.747 -3.732 4.261 432 H LYS 68 H LYS 68 5.985 -6.749 5.222 433 HA LYS 68 HA LYS 68 8.444 -6.204 3.726 434 HB2 LYS 68 HB2 LYS 68 8.904 -8.734 4.576 435 HB3 LYS 68 HB3 LYS 68 9.550 -7.300 5.349 436 HG2 LYS 68 HG2 LYS 68 7.592 -7.251 6.903 437 HG3 LYS 68 HG3 LYS 68 6.932 -8.675 6.124 438 HD2 LYS 68 HD2 LYS 68 8.655 -10.090 6.947 439 HD3 LYS 68 HD3 LYS 68 9.751 -8.753 7.238 440 HE2 LYS 68 HE2 LYS 68 7.234 -8.506 8.772 441 HE3 LYS 68 HE3 LYS 68 8.107 -9.977 9.151 442 HZ1 LYS 68 HZ1 LYS 68 8.871 -8.130 10.530 443 HZ2 LYS 68 HZ2 LYS 68 10.095 -8.611 9.570 444 H VAL 69 H VAL 69 8.554 -7.182 1.715 445 HA VAL 69 HA VAL 69 6.386 -7.725 0.291 446 HB VAL 69 HB VAL 69 9.192 -8.721 0.199 447 HG11 VAL 69 HG11 VAL 69 8.122 -10.709 -0.554 448 HG12 VAL 69 HG12 VAL 69 6.946 -9.794 -1.528 449 HG13 VAL 69 HG13 VAL 69 8.658 -9.844 -2.014 450 HG21 VAL 69 HG21 VAL 69 7.420 -7.052 -1.609 451 HG22 VAL 69 HG22 VAL 69 8.800 -6.510 -0.624 452 HG23 VAL 69 HG23 VAL 69 9.073 -7.556 -2.038 453 H GLY 70 H GLY 70 4.778 -9.225 0.154 454 HA2 GLY 70 HA2 GLY 70 3.774 -11.269 0.332 455 HA3 GLY 70 HA3 GLY 70 5.207 -11.927 1.097 456 H GLU 71 H GLU 71 3.453 -8.941 2.097 457 HA GLU 71 HA GLU 71 2.990 -10.270 4.642 458 HB2 GLU 71 HB2 GLU 71 4.041 -7.715 3.963 459 HB3 GLU 71 HB3 GLU 71 2.470 -7.404 4.673 460 HG2 GLU 71 HG2 GLU 71 3.643 -9.421 6.303 461 HG3 GLU 71 HG3 GLU 71 4.935 -8.283 5.975 462 HE2 GLU 71 HE2 GLU 71 1.997 -7.904 8.342 463 H LYS 72 H LYS 72 0.905 -10.393 5.552 464 HA LYS 72 HA LYS 72 -1.241 -9.462 3.773 465 HB2 LYS 72 HB2 LYS 72 -0.918 -12.006 5.354 466 HB3 LYS 72 HB3 LYS 72 -2.514 -11.408 4.950 467 HG2 LYS 72 HG2 LYS 72 -0.952 -11.200 2.560 468 HG3 LYS 72 HG3 LYS 72 -0.596 -12.774 3.243 469 HD2 LYS 72 HD2 LYS 72 -3.440 -11.733 2.863 470 HD3 LYS 72 HD3 LYS 72 -2.605 -12.688 1.655 471 HE2 LYS 72 HE2 LYS 72 -2.312 -14.539 3.311 472 HE3 LYS 72 HE3 LYS 72 -3.129 -13.583 4.531 473 HZ1 LYS 72 HZ1 LYS 72 -4.880 -14.790 3.677 474 HZ2 LYS 72 HZ2 LYS 72 -4.989 -13.503 2.684 475 HA PRO 73 HA PRO 73 -1.612 -6.654 7.282 476 HB2 PRO 73 HB2 PRO 73 -3.779 -5.788 5.329 477 HB3 PRO 73 HB3 PRO 73 -2.630 -4.813 6.302 478 HG2 PRO 73 HG2 PRO 73 -2.086 -5.275 3.610 479 HG3 PRO 73 HG3 PRO 73 -0.807 -5.353 4.865 480 HD2 PRO 73 HD2 PRO 73 -2.456 -7.601 3.595 481 HD3 PRO 73 HD3 PRO 73 -0.690 -7.530 3.876 482 H THR 74 H THR 74 -3.030 -6.795 9.069 483 HA THR 74 HA THR 74 -5.194 -8.730 8.748 484 HB THR 74 HB THR 74 -5.087 -8.729 11.257 485 HG1 THR 74 HG1 THR 74 -4.075 -6.958 12.120 486 HG21 THR 74 HG21 THR 74 -3.480 -10.300 10.559 487 HG22 THR 74 HG22 THR 74 -2.567 -9.094 9.620 488 HG23 THR 74 HG23 THR 74 -2.436 -9.126 11.395 489 H CYS 75 H CYS 75 -7.339 -8.289 8.953 490 HA CYS 75 HA CYS 75 -8.127 -5.638 8.518 491 HB2 CYS 75 HB2 CYS 75 -9.939 -7.847 9.479 492 HB3 CYS 75 HB3 CYS 75 -10.350 -6.449 8.506 493 H ASP 76 H ASP 76 -8.023 -7.823 11.387 494 HA ASP 76 HA ASP 76 -9.477 -6.554 13.183 495 HB2 ASP 76 HB2 ASP 76 -7.372 -8.398 13.237 496 HB3 ASP 76 HB3 ASP 76 -6.761 -7.095 14.237 497 HD2 ASP 76 HD2 ASP 76 -9.590 -9.599 15.217 498 H THR 77 H THR 77 -6.477 -5.419 11.662 499 HA THR 77 HA THR 77 -5.636 -3.516 13.497 500 HB THR 77 HB THR 77 -5.515 -3.225 10.462 501 HG1 THR 77 HG1 THR 77 -4.039 -4.932 12.344 502 HG21 THR 77 HG21 THR 77 -4.067 -1.581 11.219 503 HG22 THR 77 HG22 THR 77 -3.933 -2.313 12.836 504 HG23 THR 77 HG23 THR 77 -2.973 -2.960 11.483 505 H CYS 78 H CYS 78 -8.163 -3.314 10.945 506 HA CYS 78 HA CYS 78 -8.860 -0.711 12.099 507 HB2 CYS 78 HB2 CYS 78 -8.967 -1.719 9.263 508 HB3 CYS 78 HB3 CYS 78 -10.076 -0.468 9.786 509 H HIS 79 H HIS 79 -10.108 -3.737 10.518 510 HA HIS 79 HA HIS 79 -12.691 -3.247 11.755 511 HB2 HIS 79 HB2 HIS 79 -11.910 -5.461 9.844 512 HB3 HIS 79 HB3 HIS 79 -13.529 -4.967 10.295 513 HD1 HIS 79 HD1 HIS 79 -13.657 -2.032 9.808 514 HD2 HIS 79 HD2 HIS 79 -11.464 -4.589 7.308 515 HE1 HIS 79 HE1 HIS 79 -13.410 -0.814 7.579 516 H ASP 80 H ASP 80 -12.319 -3.678 13.958 517 HA ASP 80 HA ASP 80 -11.082 -6.191 14.601 518 HB2 ASP 80 HB2 ASP 80 -11.666 -5.312 17.012 519 HB3 ASP 80 HB3 ASP 80 -10.380 -4.538 16.107 520 HD2 ASP 80 HD2 ASP 80 -10.596 -2.405 15.823 521 H ASP 81 H ASP 81 -13.705 -6.132 13.179 522 HA ASP 81 HA ASP 81 -15.519 -6.949 15.289 523 HB2 ASP 81 HB2 ASP 81 -17.240 -6.899 13.444 524 HB3 ASP 81 HB3 ASP 81 -16.473 -5.351 13.733 525 HD2 ASP 81 HD2 ASP 81 -16.151 -4.393 11.799 526 H GLY 82 H GLY 82 -13.081 -8.409 13.887 527 HA2 GLY 82 HA2 GLY 82 -12.813 -10.734 13.863 528 HA3 GLY 82 HA3 GLY 82 -14.508 -10.941 13.468 529 H ARG 83 H ARG 83 -14.040 -8.497 11.479 530 HA ARG 83 HA ARG 83 -14.169 -9.719 9.187 531 HB2 ARG 83 HB2 ARG 83 -13.377 -7.103 10.053 532 HB3 ARG 83 HB3 ARG 83 -12.234 -7.569 8.810 533 HG2 ARG 83 HG2 ARG 83 -14.317 -6.394 7.943 534 HG3 ARG 83 HG3 ARG 83 -13.988 -7.941 7.190 535 HD2 ARG 83 HD2 ARG 83 -15.990 -8.763 7.884 536 HD3 ARG 83 HD3 ARG 83 -15.609 -8.394 9.554 537 HE ARG 83 HE ARG 83 -16.791 -6.349 9.378 538 H THR 84 H THR 84 -12.904 -10.973 7.798 539 HA THR 84 HA THR 84 -10.028 -11.121 8.399 540 HB THR 84 HB THR 84 -10.341 -13.640 7.882 541 HG1 THR 84 HG1 THR 84 -12.483 -13.445 6.980 542 HG21 THR 84 HG21 THR 84 -10.274 -13.821 10.158 543 HG22 THR 84 HG22 THR 84 -10.934 -12.177 10.330 544 HG23 THR 84 HG23 THR 84 -12.036 -13.569 10.191 545 H ALA 85 H ALA 85 -8.686 -11.840 6.596 546 HA ALA 85 HA ALA 85 -9.325 -10.469 4.262 547 HB1 ALA 85 HB1 ALA 85 -7.399 -12.767 4.207 548 HB2 ALA 85 HB2 ALA 85 -7.214 -11.109 3.587 549 HB3 ALA 85 HB3 ALA 85 -7.068 -11.428 5.332 550 H LYS 86 H LYS 86 -9.476 -11.482 2.021 551 HA LYS 86 HA LYS 86 -11.043 -13.961 2.148 552 HB2 LYS 86 HB2 LYS 86 -11.760 -11.312 0.973 553 HB3 LYS 86 HB3 LYS 86 -12.217 -12.741 0.069 554 HG2 LYS 86 HG2 LYS 86 -13.789 -13.383 1.617 555 HG3 LYS 86 HG3 LYS 86 -12.775 -12.951 2.979 556 HD2 LYS 86 HD2 LYS 86 -13.526 -10.737 3.029 557 HD3 LYS 86 HD3 LYS 86 -13.860 -10.694 1.309 558 HE2 LYS 86 HE2 LYS 86 -15.830 -12.214 1.666 559 HE3 LYS 86 HE3 LYS 86 -15.504 -12.217 3.388 560 HZ1 LYS 86 HZ1 LYS 86 -17.046 -10.507 3.151 561 HZ2 LYS 86 HZ2 LYS 86 -15.661 -9.651 3.120 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 16.613 -12.559 5.716 2 HA ALA 1 HA ALA 1 17.746 -11.054 3.979 3 HB1 ALA 1 HB1 ALA 1 16.104 -12.890 2.421 4 HB2 ALA 1 HB2 ALA 1 15.658 -11.198 2.097 5 HB3 ALA 1 HB3 ALA 1 17.341 -11.733 1.873 6 H ASP 2 H ASP 2 14.165 -11.669 3.873 7 HA ASP 2 HA ASP 2 12.486 -10.391 4.400 8 HB2 ASP 2 HB2 ASP 2 12.907 -11.012 6.667 9 HB3 ASP 2 HB3 ASP 2 14.336 -10.004 6.773 10 HD2 ASP 2 HD2 ASP 2 13.317 -8.095 8.488 11 H GLU 3 H GLU 3 12.638 -8.804 2.672 12 HA GLU 3 HA GLU 3 13.936 -6.323 3.496 13 HB2 GLU 3 HB2 GLU 3 14.262 -5.837 1.081 14 HB3 GLU 3 HB3 GLU 3 15.073 -7.314 1.561 15 HG2 GLU 3 HG2 GLU 3 12.415 -8.063 0.797 16 HG3 GLU 3 HG3 GLU 3 12.987 -6.950 -0.430 17 HE2 GLU 3 HE2 GLU 3 15.267 -8.750 -1.785 18 H THR 4 H THR 4 12.514 -4.710 3.971 19 HA THR 4 HA THR 4 9.819 -4.865 3.855 20 HB THR 4 HB THR 4 9.927 -2.351 3.985 21 HG1 THR 4 HG1 THR 4 12.769 -2.881 3.525 22 HG21 THR 4 HG21 THR 4 12.410 -3.405 5.392 23 HG22 THR 4 HG22 THR 4 11.244 -2.188 5.964 24 HG23 THR 4 HG23 THR 4 10.792 -3.910 5.935 25 H LEU 5 H LEU 5 8.219 -3.595 2.516 26 HA LEU 5 HA LEU 5 8.392 -4.530 -0.130 27 HB2 LEU 5 HB2 LEU 5 6.374 -3.950 1.462 28 HB3 LEU 5 HB3 LEU 5 6.494 -2.376 0.701 29 HG LEU 5 HG LEU 5 6.534 -4.088 -1.470 30 HD11 LEU 5 HD11 LEU 5 5.024 -5.827 -1.228 31 HD12 LEU 5 HD12 LEU 5 5.932 -5.890 0.301 32 HD13 LEU 5 HD13 LEU 5 4.314 -5.149 0.257 33 HD21 LEU 5 HD21 LEU 5 3.895 -3.092 -0.490 34 HD22 LEU 5 HD22 LEU 5 5.188 -1.908 -0.799 35 HD23 LEU 5 HD23 LEU 5 4.639 -2.986 -2.104 36 H ALA 6 H ALA 6 8.992 -1.352 1.438 37 HA ALA 6 HA ALA 6 9.225 0.151 -0.888 38 HB1 ALA 6 HB1 ALA 6 10.662 0.445 1.782 39 HB2 ALA 6 HB2 ALA 6 10.460 1.720 0.557 40 HB3 ALA 6 HB3 ALA 6 9.038 1.065 1.403 41 H GLU 7 H GLU 7 11.403 -2.177 0.680 42 HA GLU 7 HA GLU 7 13.691 -1.314 -0.723 43 HB2 GLU 7 HB2 GLU 7 13.274 -2.898 1.459 44 HB3 GLU 7 HB3 GLU 7 13.527 -4.140 0.248 45 HG2 GLU 7 HG2 GLU 7 15.698 -3.618 1.170 46 HG3 GLU 7 HG3 GLU 7 15.661 -2.940 -0.446 47 HE2 GLU 7 HE2 GLU 7 16.293 -0.921 -0.512 48 H PHE 8 H PHE 8 11.546 -4.241 -1.035 49 HA PHE 8 HA PHE 8 12.661 -5.384 -3.211 50 HB2 PHE 8 HB2 PHE 8 10.715 -6.264 -1.937 51 HB3 PHE 8 HB3 PHE 8 9.731 -4.897 -2.421 52 HD1 PHE 8 HD1 PHE 8 11.614 -7.756 -3.900 53 HD2 PHE 8 HD2 PHE 8 8.307 -5.118 -4.234 54 HE1 PHE 8 HE1 PHE 8 10.775 -9.058 -5.875 55 HE2 PHE 8 HE2 PHE 8 7.468 -6.420 -6.209 56 HZ PHE 8 HZ PHE 8 8.712 -8.374 -7.006 57 H HIS 9 H HIS 9 10.494 -2.515 -3.121 58 HA HIS 9 HA HIS 9 10.225 -2.424 -5.945 59 HB2 HIS 9 HB2 HIS 9 9.483 -0.650 -3.642 60 HB3 HIS 9 HB3 HIS 9 9.447 0.006 -5.267 61 HD1 HIS 9 HD1 HIS 9 7.770 -2.578 -3.072 62 HD2 HIS 9 HD2 HIS 9 7.342 -0.901 -6.893 63 HE1 HIS 9 HE1 HIS 9 5.498 -3.349 -3.941 64 H VAL 10 H VAL 10 12.395 -0.973 -3.491 65 HA VAL 10 HA VAL 10 13.564 0.960 -5.101 66 HB VAL 10 HB VAL 10 14.371 -0.597 -2.675 67 HG11 VAL 10 HG11 VAL 10 16.188 0.924 -4.477 68 HG12 VAL 10 HG12 VAL 10 16.347 1.231 -2.731 69 HG13 VAL 10 HG13 VAL 10 16.533 -0.422 -3.365 70 HG21 VAL 10 HG21 VAL 10 13.537 1.167 -1.591 71 HG22 VAL 10 HG22 VAL 10 14.543 2.294 -2.531 72 HG23 VAL 10 HG23 VAL 10 12.958 1.783 -3.158 73 H GLU 11 H GLU 11 14.663 -2.437 -4.410 74 HA GLU 11 HA GLU 11 16.830 -2.408 -6.049 75 HB2 GLU 11 HB2 GLU 11 16.233 -4.226 -4.446 76 HB3 GLU 11 HB3 GLU 11 14.943 -4.744 -5.513 77 HG2 GLU 11 HG2 GLU 11 16.443 -5.520 -7.177 78 HG3 GLU 11 HG3 GLU 11 17.761 -4.520 -6.601 79 HE2 GLU 11 HE2 GLU 11 18.264 -5.513 -3.930 80 H MET 12 H MET 12 13.461 -2.257 -6.898 81 HA MET 12 HA MET 12 14.081 -3.096 -9.613 82 HB2 MET 12 HB2 MET 12 11.660 -3.067 -7.852 83 HB3 MET 12 HB3 MET 12 11.338 -2.601 -9.510 84 HG2 MET 12 HG2 MET 12 12.585 -4.720 -10.248 85 HG3 MET 12 HG3 MET 12 12.634 -5.200 -8.564 86 HE1 MET 12 HE1 MET 12 10.509 -4.551 -7.154 87 HE2 MET 12 HE2 MET 12 9.261 -3.672 -8.069 88 HE3 MET 12 HE3 MET 12 8.962 -5.344 -7.536 89 H GLY 13 H GLY 13 14.759 -0.432 -8.198 90 HA2 GLY 13 HA2 GLY 13 14.457 1.278 -10.352 91 HA3 GLY 13 HA3 GLY 13 13.080 1.571 -9.310 92 H GLY 14 H GLY 14 13.513 2.063 -6.958 93 HA2 GLY 14 HA2 GLY 14 15.864 2.512 -5.724 94 HA3 GLY 14 HA3 GLY 14 15.728 3.914 -6.766 95 H CYS 15 H CYS 15 15.694 4.970 -4.504 96 HA CYS 15 HA CYS 15 13.362 4.640 -2.944 97 HB2 CYS 15 HB2 CYS 15 15.479 6.799 -2.970 98 HB3 CYS 15 HB3 CYS 15 14.175 6.720 -1.802 99 H GLU 16 H GLU 16 14.144 6.263 -5.911 100 HA GLU 16 HA GLU 16 12.193 8.322 -5.574 101 HB2 GLU 16 HB2 GLU 16 14.014 7.459 -7.842 102 HB3 GLU 16 HB3 GLU 16 12.758 8.652 -8.108 103 HG2 GLU 16 HG2 GLU 16 14.056 9.447 -5.701 104 HG3 GLU 16 HG3 GLU 16 15.345 8.969 -6.787 105 HE2 GLU 16 HE2 GLU 16 16.007 10.923 -7.652 106 H ASN 17 H ASN 17 11.704 5.175 -5.682 107 HA ASN 17 HA ASN 17 10.132 4.815 -7.971 108 HB2 ASN 17 HB2 ASN 17 11.215 3.059 -6.315 109 HB3 ASN 17 HB3 ASN 17 9.758 3.278 -5.366 110 HD21 ASN 17 HD21 ASN 17 7.690 3.297 -6.788 111 HD22 ASN 17 HD22 ASN 17 7.529 1.985 -7.907 112 H CYS 18 H CYS 18 9.656 6.193 -4.746 113 HA CYS 18 HA CYS 18 6.932 6.851 -5.472 114 HB2 CYS 18 HB2 CYS 18 7.366 5.776 -2.697 115 HB3 CYS 18 HB3 CYS 18 5.873 5.958 -3.597 116 H HIS 19 H HIS 19 9.658 8.151 -5.230 117 HA HIS 19 HA HIS 19 8.798 10.285 -3.474 118 HB2 HIS 19 HB2 HIS 19 11.465 8.877 -3.173 119 HB3 HIS 19 HB3 HIS 19 11.070 10.418 -2.437 120 HD1 HIS 19 HD1 HIS 19 8.194 9.800 -1.408 121 HD2 HIS 19 HD2 HIS 19 11.476 7.223 -0.980 122 HE1 HIS 19 HE1 HIS 19 7.659 8.284 0.572 123 H ALA 20 H ALA 20 9.331 12.301 -4.286 124 HA ALA 20 HA ALA 20 10.722 12.247 -6.854 125 HB1 ALA 20 HB1 ALA 20 8.673 14.002 -5.526 126 HB2 ALA 20 HB2 ALA 20 9.733 14.711 -6.768 127 HB3 ALA 20 HB3 ALA 20 8.694 13.323 -7.171 128 H ASP 21 H ASP 21 12.839 12.793 -6.912 129 HA ASP 21 HA ASP 21 14.789 13.497 -6.243 130 HB2 ASP 21 HB2 ASP 21 13.015 15.906 -5.739 131 HB3 ASP 21 HB3 ASP 21 14.727 16.000 -5.376 132 HD2 ASP 21 HD2 ASP 21 12.466 15.731 -7.951 133 H GLY 22 H GLY 22 13.322 11.975 -4.224 134 HA2 GLY 22 HA2 GLY 22 13.404 11.434 -2.046 135 HA3 GLY 22 HA3 GLY 22 14.874 12.383 -1.953 136 H GLU 23 H GLU 23 11.326 13.077 -2.412 137 HA GLU 23 HA GLU 23 11.478 14.750 -0.061 138 HB2 GLU 23 HB2 GLU 23 11.869 16.092 -2.276 139 HB3 GLU 23 HB3 GLU 23 10.160 15.837 -2.568 140 HG2 GLU 23 HG2 GLU 23 10.055 17.846 -1.401 141 HG3 GLU 23 HG3 GLU 23 9.906 16.725 -0.062 142 HE2 GLU 23 HE2 GLU 23 11.247 19.404 -0.535 143 HA PRO 24 HA PRO 24 8.036 11.606 -0.131 144 HB2 PRO 24 HB2 PRO 24 8.308 12.561 2.742 145 HB3 PRO 24 HB3 PRO 24 8.019 10.919 2.082 146 HG2 PRO 24 HG2 PRO 24 10.526 11.734 2.905 147 HG3 PRO 24 HG3 PRO 24 10.111 10.584 1.592 148 HD2 PRO 24 HD2 PRO 24 11.130 13.425 1.464 149 HD3 PRO 24 HD3 PRO 24 11.325 12.095 0.282 150 H SER 25 H SER 25 5.957 12.286 -0.651 151 HA SER 25 HA SER 25 5.251 14.898 -0.679 152 HB2 SER 25 HB2 SER 25 3.082 14.164 -1.266 153 HB3 SER 25 HB3 SER 25 4.114 12.835 -1.756 154 HG SER 25 HG SER 25 3.534 12.232 0.738 155 H LYS 26 H LYS 26 3.888 16.250 0.674 156 HA LYS 26 HA LYS 26 4.050 15.476 3.483 157 HB2 LYS 26 HB2 LYS 26 3.781 17.840 3.957 158 HB3 LYS 26 HB3 LYS 26 5.091 17.597 2.820 159 HG2 LYS 26 HG2 LYS 26 2.881 17.892 1.136 160 HG3 LYS 26 HG3 LYS 26 2.508 18.997 2.444 161 HD2 LYS 26 HD2 LYS 26 3.826 20.449 1.248 162 HD3 LYS 26 HD3 LYS 26 5.136 19.633 2.078 163 HE2 LYS 26 HE2 LYS 26 5.944 18.824 0.118 164 HE3 LYS 26 HE3 LYS 26 4.408 18.062 -0.247 165 HZ1 LYS 26 HZ1 LYS 26 3.974 19.680 -1.726 166 HZ2 LYS 26 HZ2 LYS 26 4.223 20.870 -0.642 167 H ASP 27 H ASP 27 2.096 14.288 1.558 168 HA ASP 27 HA ASP 27 -0.250 15.052 3.078 169 HB2 ASP 27 HB2 ASP 27 -1.520 14.614 0.797 170 HB3 ASP 27 HB3 ASP 27 -0.831 16.192 1.125 171 HD2 ASP 27 HD2 ASP 27 -0.902 15.368 -1.843 172 H GLY 28 H GLY 28 0.800 12.907 0.310 173 HA2 GLY 28 HA2 GLY 28 1.242 10.546 0.997 174 HA3 GLY 28 HA3 GLY 28 -0.322 10.601 1.784 175 H ALA 29 H ALA 29 -1.609 12.311 -0.289 176 HA ALA 29 HA ALA 29 -2.595 10.298 -1.932 177 HB1 ALA 29 HB1 ALA 29 -3.231 12.569 -3.278 178 HB2 ALA 29 HB2 ALA 29 -4.072 12.037 -1.803 179 HB3 ALA 29 HB3 ALA 29 -2.785 13.263 -1.701 180 H TYR 30 H TYR 30 -0.139 12.827 -2.461 181 HA TYR 30 HA TYR 30 0.393 12.488 -5.162 182 HB2 TYR 30 HB2 TYR 30 1.393 14.176 -3.611 183 HB3 TYR 30 HB3 TYR 30 2.435 12.903 -2.955 184 HD1 TYR 30 HD1 TYR 30 1.439 13.640 -6.496 185 HD2 TYR 30 HD2 TYR 30 4.609 13.435 -3.604 186 HE1 TYR 30 HE1 TYR 30 3.100 14.075 -8.285 187 HE2 TYR 30 HE2 TYR 30 6.270 13.870 -5.394 188 HH TYR 30 HH TYR 30 6.612 14.126 -7.646 189 H GLU 31 H GLU 31 1.668 10.526 -2.371 190 HA GLU 31 HA GLU 31 3.292 8.972 -4.037 191 HB2 GLU 31 HB2 GLU 31 2.295 8.794 -1.201 192 HB3 GLU 31 HB3 GLU 31 3.006 7.358 -1.910 193 HG2 GLU 31 HG2 GLU 31 5.122 8.235 -1.884 194 HG3 GLU 31 HG3 GLU 31 4.584 9.805 -2.448 195 HE2 GLU 31 HE2 GLU 31 5.567 9.505 1.243 196 H PHE 32 H PHE 32 0.024 8.428 -2.553 197 HA PHE 32 HA PHE 32 -0.477 5.905 -3.349 198 HB2 PHE 32 HB2 PHE 32 -2.072 7.242 -2.060 199 HB3 PHE 32 HB3 PHE 32 -2.140 8.478 -3.300 200 HD1 PHE 32 HD1 PHE 32 -2.329 4.887 -4.080 201 HD2 PHE 32 HD2 PHE 32 -4.528 8.469 -3.492 202 HE1 PHE 32 HE1 PHE 32 -4.367 3.796 -5.056 203 HE2 PHE 32 HE2 PHE 32 -6.567 7.377 -4.468 204 HZ PHE 32 HZ PHE 32 -6.462 5.054 -5.239 205 H GLU 33 H GLU 33 -0.126 8.756 -5.405 206 HA GLU 33 HA GLU 33 -1.522 7.689 -7.598 207 HB2 GLU 33 HB2 GLU 33 -0.052 10.108 -6.937 208 HB3 GLU 33 HB3 GLU 33 0.426 9.551 -8.528 209 HG2 GLU 33 HG2 GLU 33 -1.461 10.589 -9.276 210 HG3 GLU 33 HG3 GLU 33 -2.323 9.204 -8.634 211 HE2 GLU 33 HE2 GLU 33 -1.457 12.577 -7.222 212 H GLN 34 H GLN 34 1.927 7.730 -6.553 213 HA GLN 34 HA GLN 34 3.073 6.782 -8.823 214 HB2 GLN 34 HB2 GLN 34 3.760 6.218 -5.909 215 HB3 GLN 34 HB3 GLN 34 4.811 5.782 -7.242 216 HG2 GLN 34 HG2 GLN 34 3.972 8.564 -6.348 217 HG3 GLN 34 HG3 GLN 34 5.595 7.918 -6.490 218 HE21 GLN 34 HE21 GLN 34 4.154 10.266 -7.679 219 HE22 GLN 34 HE22 GLN 34 4.432 10.180 -9.386 220 H CYS 35 H CYS 35 1.141 5.062 -6.371 221 HA CYS 35 HA CYS 35 1.823 2.500 -7.503 222 HB2 CYS 35 HB2 CYS 35 -0.392 2.774 -5.541 223 HB3 CYS 35 HB3 CYS 35 0.854 1.548 -5.676 224 H GLN 36 H GLN 36 0.830 4.087 -9.521 225 HA GLN 36 HA GLN 36 -1.663 2.761 -10.050 226 HB2 GLN 36 HB2 GLN 36 -1.703 5.412 -9.116 227 HB3 GLN 36 HB3 GLN 36 -1.856 5.583 -10.853 228 HG2 GLN 36 HG2 GLN 36 -3.822 4.189 -10.926 229 HG3 GLN 36 HG3 GLN 36 -3.553 3.586 -9.302 230 HE21 GLN 36 HE21 GLN 36 -3.092 5.669 -7.765 231 HE22 GLN 36 HE22 GLN 36 -4.399 6.806 -7.748 232 H SER 37 H SER 37 0.202 1.731 -11.367 233 HA SER 37 HA SER 37 -0.053 2.653 -13.996 234 HB2 SER 37 HB2 SER 37 1.648 4.301 -13.223 235 HB3 SER 37 HB3 SER 37 2.700 2.991 -12.724 236 HG SER 37 HG SER 37 3.186 2.505 -14.806 237 H CYS 38 H CYS 38 2.679 1.085 -12.168 238 HA CYS 38 HA CYS 38 2.767 -1.080 -13.964 239 HB2 CYS 38 HB2 CYS 38 3.953 -1.133 -11.189 240 HB3 CYS 38 HB3 CYS 38 4.534 -1.915 -12.645 241 H HIS 39 H HIS 39 0.603 -0.197 -11.478 242 HA HIS 39 HA HIS 39 -0.162 -3.003 -11.108 243 HB2 HIS 39 HB2 HIS 39 -0.357 -0.670 -9.189 244 HB3 HIS 39 HB3 HIS 39 -1.199 -2.188 -8.946 245 HD1 HIS 39 HD1 HIS 39 0.651 -4.384 -9.177 246 HD2 HIS 39 HD2 HIS 39 2.017 -0.642 -7.862 247 HE1 HIS 39 HE1 HIS 39 2.836 -4.818 -7.932 248 H GLY 40 H GLY 40 -1.961 -0.045 -10.172 249 HA2 GLY 40 HA2 GLY 40 -3.510 0.541 -12.273 250 HA3 GLY 40 HA3 GLY 40 -4.230 -0.963 -11.733 251 H SER 41 H SER 41 -6.202 0.127 -11.118 252 HA SER 41 HA SER 41 -5.853 1.819 -8.768 253 HB2 SER 41 HB2 SER 41 -6.984 3.222 -10.227 254 HB3 SER 41 HB3 SER 41 -7.754 1.901 -11.083 255 HG SER 41 HG SER 41 -8.466 2.946 -8.478 256 H LEU 42 H LEU 42 -7.332 1.469 -6.954 257 HA LEU 42 HA LEU 42 -7.786 -1.205 -6.382 258 HB2 LEU 42 HB2 LEU 42 -9.125 1.204 -5.147 259 HB3 LEU 42 HB3 LEU 42 -8.971 -0.390 -4.435 260 HG LEU 42 HG LEU 42 -6.430 0.943 -5.210 261 HD11 LEU 42 HD11 LEU 42 -6.370 2.557 -3.553 262 HD12 LEU 42 HD12 LEU 42 -8.032 2.708 -4.174 263 HD13 LEU 42 HD13 LEU 42 -7.726 1.838 -2.651 264 HD21 LEU 42 HD21 LEU 42 -7.306 -1.202 -3.533 265 HD22 LEU 42 HD22 LEU 42 -5.649 -0.706 -3.953 266 HD23 LEU 42 HD23 LEU 42 -6.457 0.001 -2.533 267 H ALA 43 H ALA 43 -9.746 1.205 -8.087 268 HA ALA 43 HA ALA 43 -12.182 -0.247 -7.860 269 HB1 ALA 43 HB1 ALA 43 -12.937 1.735 -8.594 270 HB2 ALA 43 HB2 ALA 43 -11.260 2.284 -8.828 271 HB3 ALA 43 HB3 ALA 43 -12.126 1.476 -10.157 272 H GLU 44 H GLU 44 -9.277 -0.960 -9.391 273 HA GLU 44 HA GLU 44 -10.715 -2.494 -11.415 274 HB2 GLU 44 HB2 GLU 44 -8.281 -0.784 -11.620 275 HB3 GLU 44 HB3 GLU 44 -8.173 -2.329 -12.441 276 HG2 GLU 44 HG2 GLU 44 -10.083 -1.860 -13.821 277 HG3 GLU 44 HG3 GLU 44 -10.602 -0.534 -12.800 278 HE2 GLU 44 HE2 GLU 44 -9.488 -0.323 -15.838 279 H MET 45 H MET 45 -10.003 -3.147 -8.569 280 HA MET 45 HA MET 45 -8.195 -5.364 -9.158 281 HB2 MET 45 HB2 MET 45 -8.643 -3.807 -6.551 282 HB3 MET 45 HB3 MET 45 -7.637 -5.238 -6.664 283 HG2 MET 45 HG2 MET 45 -6.455 -3.865 -8.639 284 HG3 MET 45 HG3 MET 45 -7.153 -2.484 -7.817 285 HE1 MET 45 HE1 MET 45 -5.100 -1.565 -7.659 286 HE2 MET 45 HE2 MET 45 -4.146 -1.658 -6.159 287 HE3 MET 45 HE3 MET 45 -3.660 -2.608 -7.584 288 H ASP 46 H ASP 46 -8.564 -6.929 -6.887 289 HA ASP 46 HA ASP 46 -10.802 -8.329 -7.497 290 HB2 ASP 46 HB2 ASP 46 -9.890 -8.262 -4.624 291 HB3 ASP 46 HB3 ASP 46 -10.297 -9.647 -5.616 292 HD2 ASP 46 HD2 ASP 46 -7.556 -8.647 -4.164 293 H ASP 47 H ASP 47 -12.546 -8.815 -5.518 294 HA ASP 47 HA ASP 47 -13.957 -6.364 -5.284 295 HB2 ASP 47 HB2 ASP 47 -14.464 -9.242 -4.463 296 HB3 ASP 47 HB3 ASP 47 -15.527 -7.973 -3.889 297 HD2 ASP 47 HD2 ASP 47 -14.981 -10.058 -6.365 298 H ASN 48 H ASN 48 -11.334 -7.473 -3.664 299 HA ASN 48 HA ASN 48 -12.360 -6.946 -1.009 300 HB2 ASN 48 HB2 ASN 48 -9.553 -7.829 -1.860 301 HB3 ASN 48 HB3 ASN 48 -10.181 -7.829 -0.225 302 HD21 ASN 48 HD21 ASN 48 -9.197 -10.108 -0.969 303 HD22 ASN 48 HD22 ASN 48 -10.394 -11.297 -1.365 304 H HIS 49 H HIS 49 -10.480 -5.608 -3.670 305 HA HIS 49 HA HIS 49 -9.303 -3.579 -1.951 306 HB2 HIS 49 HB2 HIS 49 -8.827 -4.493 -4.779 307 HB3 HIS 49 HB3 HIS 49 -8.269 -2.916 -4.257 308 HD1 HIS 49 HD1 HIS 49 -7.802 -6.612 -3.460 309 HD2 HIS 49 HD2 HIS 49 -5.936 -2.921 -2.756 310 HE1 HIS 49 HE1 HIS 49 -5.545 -7.143 -2.395 311 H LYS 50 H LYS 50 -11.652 -4.051 -4.627 312 HA LYS 50 HA LYS 50 -12.144 -1.472 -5.333 313 HB2 LYS 50 HB2 LYS 50 -13.759 -3.980 -5.246 314 HB3 LYS 50 HB3 LYS 50 -14.623 -2.479 -5.508 315 HG2 LYS 50 HG2 LYS 50 -13.053 -1.924 -7.393 316 HG3 LYS 50 HG3 LYS 50 -12.234 -3.454 -7.145 317 HD2 LYS 50 HD2 LYS 50 -15.143 -3.822 -7.382 318 HD3 LYS 50 HD3 LYS 50 -14.488 -2.998 -8.783 319 HE2 LYS 50 HE2 LYS 50 -12.903 -4.791 -9.211 320 HE3 LYS 50 HE3 LYS 50 -13.230 -5.540 -7.661 321 HZ1 LYS 50 HZ1 LYS 50 -15.396 -6.164 -8.392 322 HZ2 LYS 50 HZ2 LYS 50 -15.345 -5.215 -9.714 323 HA PRO 51 HA PRO 51 -15.735 -1.506 -1.784 324 HB2 PRO 51 HB2 PRO 51 -13.844 -3.056 0.029 325 HB3 PRO 51 HB3 PRO 51 -15.637 -2.984 0.003 326 HG2 PRO 51 HG2 PRO 51 -14.052 -4.826 -1.138 327 HG3 PRO 51 HG3 PRO 51 -15.733 -4.773 -1.760 328 HD2 PRO 51 HD2 PRO 51 -13.330 -4.207 -3.216 329 HD3 PRO 51 HD3 PRO 51 -14.995 -3.812 -3.738 330 H HIS 52 H HIS 52 -12.142 -1.609 -1.104 331 HA HIS 52 HA HIS 52 -12.368 0.650 0.616 332 HB2 HIS 52 HB2 HIS 52 -10.017 -0.866 -0.535 333 HB3 HIS 52 HB3 HIS 52 -9.830 0.525 0.515 334 HD1 HIS 52 HD1 HIS 52 -9.847 -3.020 0.697 335 HD2 HIS 52 HD2 HIS 52 -11.502 0.015 3.074 336 HE1 HIS 52 HE1 HIS 52 -10.292 -4.064 2.983 337 H ASP 53 H ASP 53 -11.024 0.034 -2.697 338 HA ASP 53 HA ASP 53 -9.915 2.093 -3.562 339 HB2 ASP 53 HB2 ASP 53 -11.005 0.458 -5.075 340 HB3 ASP 53 HB3 ASP 53 -12.570 1.184 -4.768 341 HD2 ASP 53 HD2 ASP 53 -12.299 3.212 -7.402 342 H GLY 54 H GLY 54 -9.995 4.231 -2.830 343 HA2 GLY 54 HA2 GLY 54 -10.916 6.354 -2.892 344 HA3 GLY 54 HA3 GLY 54 -12.519 5.677 -3.102 345 H LEU 55 H LEU 55 -9.915 5.060 -0.639 346 HA LEU 55 HA LEU 55 -11.458 6.340 1.404 347 HB2 LEU 55 HB2 LEU 55 -11.580 3.417 1.012 348 HB3 LEU 55 HB3 LEU 55 -11.236 3.940 2.648 349 HG LEU 55 HG LEU 55 -13.630 4.806 1.003 350 HD11 LEU 55 HD11 LEU 55 -13.310 2.719 3.163 351 HD12 LEU 55 HD12 LEU 55 -14.883 3.432 2.733 352 HD13 LEU 55 HD13 LEU 55 -13.954 2.526 1.515 353 HD21 LEU 55 HD21 LEU 55 -12.438 6.047 3.235 354 HD22 LEU 55 HD22 LEU 55 -14.021 6.394 2.499 355 HD23 LEU 55 HD23 LEU 55 -13.899 5.226 3.837 356 H LEU 56 H LEU 56 -8.999 3.675 1.112 357 HA LEU 56 HA LEU 56 -7.109 5.505 2.410 358 HB2 LEU 56 HB2 LEU 56 -6.412 3.931 3.936 359 HB3 LEU 56 HB3 LEU 56 -8.156 3.754 3.940 360 HG LEU 56 HG LEU 56 -6.790 1.963 2.043 361 HD11 LEU 56 HD11 LEU 56 -6.279 0.463 4.205 362 HD12 LEU 56 HD12 LEU 56 -5.066 1.519 3.444 363 HD13 LEU 56 HD13 LEU 56 -5.945 2.072 4.889 364 HD21 LEU 56 HD21 LEU 56 -9.251 2.110 3.304 365 HD22 LEU 56 HD22 LEU 56 -8.617 0.733 2.372 366 HD23 LEU 56 HD23 LEU 56 -8.429 0.771 4.141 367 H MET 57 H MET 57 -4.920 5.300 1.734 368 HA MET 57 HA MET 57 -4.701 4.429 -0.936 369 HB2 MET 57 HB2 MET 57 -2.452 5.354 -0.778 370 HB3 MET 57 HB3 MET 57 -3.474 6.386 0.202 371 HG2 MET 57 HG2 MET 57 -2.727 4.511 2.078 372 HG3 MET 57 HG3 MET 57 -1.308 4.509 1.049 373 HE1 MET 57 HE1 MET 57 -0.375 8.301 0.939 374 HE2 MET 57 HE2 MET 57 0.384 6.696 0.827 375 HE3 MET 57 HE3 MET 57 -1.033 7.082 -0.178 376 H CYS 58 H CYS 58 -2.375 3.188 -1.406 377 HA CYS 58 HA CYS 58 -2.881 0.554 -0.611 378 HB2 CYS 58 HB2 CYS 58 -0.259 1.531 -1.727 379 HB3 CYS 58 HB3 CYS 58 -0.995 -0.051 -1.894 380 H ALA 59 H ALA 59 0.171 2.468 -0.077 381 HA ALA 59 HA ALA 59 1.402 1.063 1.771 382 HB1 ALA 59 HB1 ALA 59 1.461 3.702 0.893 383 HB2 ALA 59 HB2 ALA 59 1.212 3.861 2.648 384 HB3 ALA 59 HB3 ALA 59 2.611 2.954 2.026 385 H ASP 60 H ASP 60 -1.253 3.405 2.607 386 HA ASP 60 HA ASP 60 -1.450 3.258 5.172 387 HB2 ASP 60 HB2 ASP 60 -3.544 3.026 3.032 388 HB3 ASP 60 HB3 ASP 60 -4.081 2.728 4.673 389 HD2 ASP 60 HD2 ASP 60 -5.121 5.236 5.041 390 H CYS 61 H CYS 61 -2.220 0.553 2.921 391 HA CYS 61 HA CYS 61 -2.788 -1.159 5.215 392 HB2 CYS 61 HB2 CYS 61 -3.772 -1.045 2.457 393 HB3 CYS 61 HB3 CYS 61 -3.259 -2.657 2.918 394 H HIS 62 H HIS 62 -1.011 -1.144 2.032 395 HA HIS 62 HA HIS 62 0.692 -3.260 2.965 396 HB2 HIS 62 HB2 HIS 62 0.688 -1.661 0.389 397 HB3 HIS 62 HB3 HIS 62 1.726 -3.034 0.716 398 HD1 HIS 62 HD1 HIS 62 0.104 -5.272 1.588 399 HD2 HIS 62 HD2 HIS 62 -1.484 -2.427 -1.054 400 HE1 HIS 62 HE1 HIS 62 -1.859 -6.403 0.415 401 H ALA 63 H ALA 63 1.114 -1.515 4.864 402 HA ALA 63 HA ALA 63 2.670 0.673 4.555 403 HB1 ALA 63 HB1 ALA 63 2.121 0.327 6.751 404 HB2 ALA 63 HB2 ALA 63 2.324 -1.437 6.635 405 HB3 ALA 63 HB3 ALA 63 3.751 -0.386 6.800 406 HA PRO 64 HA PRO 64 6.043 -1.214 2.250 407 HB2 PRO 64 HB2 PRO 64 6.782 1.675 1.987 408 HB3 PRO 64 HB3 PRO 64 6.454 0.436 0.732 409 HG2 PRO 64 HG2 PRO 64 4.459 2.380 1.110 410 HG3 PRO 64 HG3 PRO 64 4.278 0.635 0.739 411 HD2 PRO 64 HD2 PRO 64 4.285 2.046 3.475 412 HD3 PRO 64 HD3 PRO 64 3.010 0.997 2.783 413 H HIS 65 H HIS 65 6.574 1.793 4.287 414 HA HIS 65 HA HIS 65 9.137 0.774 5.045 415 HB2 HIS 65 HB2 HIS 65 7.560 3.243 5.797 416 HB3 HIS 65 HB3 HIS 65 9.120 2.865 6.502 417 HD1 HIS 65 HD1 HIS 65 10.918 2.141 4.272 418 HD2 HIS 65 HD2 HIS 65 7.933 5.050 3.803 419 HE1 HIS 65 HE1 HIS 65 11.634 3.588 2.296 420 H GLU 66 H GLU 66 7.767 -1.289 5.787 421 HA GLU 66 HA GLU 66 8.132 -1.543 8.453 422 HB2 GLU 66 HB2 GLU 66 5.835 0.031 8.060 423 HB3 GLU 66 HB3 GLU 66 5.194 -1.567 8.386 424 HG2 GLU 66 HG2 GLU 66 7.372 -0.350 10.130 425 HG3 GLU 66 HG3 GLU 66 5.677 -0.014 10.422 426 HE2 GLU 66 HE2 GLU 66 4.866 -3.276 10.276 427 H ALA 67 H ALA 67 5.548 -2.356 6.023 428 HA ALA 67 HA ALA 67 5.470 -5.079 6.810 429 HB1 ALA 67 HB1 ALA 67 4.546 -3.967 4.149 430 HB2 ALA 67 HB2 ALA 67 3.845 -5.289 5.112 431 HB3 ALA 67 HB3 ALA 67 3.673 -3.604 5.657 432 H LYS 68 H LYS 68 6.069 -6.931 5.394 433 HA LYS 68 HA LYS 68 8.411 -6.270 3.749 434 HB2 LYS 68 HB2 LYS 68 8.978 -8.776 4.604 435 HB3 LYS 68 HB3 LYS 68 9.574 -7.315 5.365 436 HG2 LYS 68 HG2 LYS 68 7.723 -7.339 6.989 437 HG3 LYS 68 HG3 LYS 68 6.970 -8.693 6.169 438 HD2 LYS 68 HD2 LYS 68 9.596 -9.589 6.668 439 HD3 LYS 68 HD3 LYS 68 9.182 -8.687 8.112 440 HE2 LYS 68 HE2 LYS 68 6.894 -10.296 7.338 441 HE3 LYS 68 HE3 LYS 68 8.314 -11.322 7.369 442 HZ1 LYS 68 HZ1 LYS 68 7.083 -10.976 9.563 443 HZ2 LYS 68 HZ2 LYS 68 8.700 -10.793 9.623 444 H VAL 69 H VAL 69 8.538 -7.241 1.738 445 HA VAL 69 HA VAL 69 6.384 -7.879 0.335 446 HB VAL 69 HB VAL 69 9.223 -8.787 0.221 447 HG11 VAL 69 HG11 VAL 69 8.602 -10.728 -0.762 448 HG12 VAL 69 HG12 VAL 69 6.961 -10.143 -1.128 449 HG13 VAL 69 HG13 VAL 69 8.323 -9.690 -2.181 450 HG21 VAL 69 HG21 VAL 69 7.407 -6.926 -1.253 451 HG22 VAL 69 HG22 VAL 69 9.086 -6.698 -0.705 452 HG23 VAL 69 HG23 VAL 69 8.748 -7.673 -2.155 453 H GLY 70 H GLY 70 4.852 -9.464 0.183 454 HA2 GLY 70 HA2 GLY 70 3.942 -11.549 0.378 455 HA3 GLY 70 HA3 GLY 70 5.399 -12.132 1.157 456 H GLU 71 H GLU 71 3.468 -9.234 2.102 457 HA GLU 71 HA GLU 71 3.086 -10.537 4.673 458 HB2 GLU 71 HB2 GLU 71 4.301 -8.318 4.566 459 HB3 GLU 71 HB3 GLU 71 2.825 -7.580 3.977 460 HG2 GLU 71 HG2 GLU 71 1.812 -8.826 6.171 461 HG3 GLU 71 HG3 GLU 71 3.464 -8.628 6.719 462 HE2 GLU 71 HE2 GLU 71 4.105 -6.529 7.189 463 H LYS 72 H LYS 72 0.996 -10.603 5.673 464 HA LYS 72 HA LYS 72 -1.194 -10.003 3.807 465 HB2 LYS 72 HB2 LYS 72 -0.739 -12.351 5.643 466 HB3 LYS 72 HB3 LYS 72 -2.359 -11.896 5.154 467 HG2 LYS 72 HG2 LYS 72 -1.014 -11.819 2.729 468 HG3 LYS 72 HG3 LYS 72 -0.172 -13.118 3.549 469 HD2 LYS 72 HD2 LYS 72 -2.857 -13.659 4.131 470 HD3 LYS 72 HD3 LYS 72 -2.934 -13.043 2.492 471 HE2 LYS 72 HE2 LYS 72 -2.360 -15.151 1.839 472 HE3 LYS 72 HE3 LYS 72 -0.735 -14.741 2.351 473 HZ1 LYS 72 HZ1 LYS 72 -1.863 -16.814 3.369 474 HZ2 LYS 72 HZ2 LYS 72 -1.036 -15.839 4.378 475 HA PRO 73 HA PRO 73 -1.584 -6.875 7.085 476 HB2 PRO 73 HB2 PRO 73 -3.722 -6.237 5.008 477 HB3 PRO 73 HB3 PRO 73 -2.657 -5.146 5.954 478 HG2 PRO 73 HG2 PRO 73 -2.033 -5.799 3.354 479 HG3 PRO 73 HG3 PRO 73 -0.758 -5.696 4.612 480 HD2 PRO 73 HD2 PRO 73 -2.178 -8.124 3.433 481 HD3 PRO 73 HD3 PRO 73 -0.457 -7.932 3.887 482 H THR 74 H THR 74 -2.970 -6.987 8.883 483 HA THR 74 HA THR 74 -5.175 -8.893 8.627 484 HB THR 74 HB THR 74 -5.007 -8.906 11.127 485 HG1 THR 74 HG1 THR 74 -3.612 -7.363 12.052 486 HG21 THR 74 HG21 THR 74 -2.943 -9.782 9.339 487 HG22 THR 74 HG22 THR 74 -2.127 -9.005 10.717 488 HG23 THR 74 HG23 THR 74 -3.250 -10.358 10.995 489 H CYS 75 H CYS 75 -7.308 -8.406 9.011 490 HA CYS 75 HA CYS 75 -8.041 -5.740 8.521 491 HB2 CYS 75 HB2 CYS 75 -9.868 -7.870 9.621 492 HB3 CYS 75 HB3 CYS 75 -10.283 -6.487 8.629 493 H ASP 76 H ASP 76 -7.902 -7.871 11.434 494 HA ASP 76 HA ASP 76 -9.220 -6.493 13.257 495 HB2 ASP 76 HB2 ASP 76 -7.780 -8.566 13.588 496 HB3 ASP 76 HB3 ASP 76 -6.376 -7.522 13.680 497 HD2 ASP 76 HD2 ASP 76 -9.526 -7.686 15.419 498 H THR 77 H THR 77 -6.242 -5.538 11.584 499 HA THR 77 HA THR 77 -5.226 -3.647 13.345 500 HB THR 77 HB THR 77 -5.209 -3.391 10.309 501 HG1 THR 77 HG1 THR 77 -4.319 -5.416 10.338 502 HG21 THR 77 HG21 THR 77 -2.625 -3.427 11.579 503 HG22 THR 77 HG22 THR 77 -3.411 -2.058 10.758 504 HG23 THR 77 HG23 THR 77 -3.655 -2.309 12.504 505 H CYS 78 H CYS 78 -7.846 -3.370 10.897 506 HA CYS 78 HA CYS 78 -8.365 -0.714 12.022 507 HB2 CYS 78 HB2 CYS 78 -8.620 -1.761 9.211 508 HB3 CYS 78 HB3 CYS 78 -9.655 -0.453 9.750 509 H HIS 79 H HIS 79 -9.816 -3.703 10.552 510 HA HIS 79 HA HIS 79 -12.331 -3.059 11.851 511 HB2 HIS 79 HB2 HIS 79 -11.697 -5.360 9.989 512 HB3 HIS 79 HB3 HIS 79 -13.283 -4.801 10.481 513 HD1 HIS 79 HD1 HIS 79 -13.395 -1.907 9.892 514 HD2 HIS 79 HD2 HIS 79 -11.251 -4.545 7.435 515 HE1 HIS 79 HE1 HIS 79 -13.172 -0.753 7.627 516 H ASP 80 H ASP 80 -11.930 -3.435 14.056 517 HA ASP 80 HA ASP 80 -10.769 -5.965 14.761 518 HB2 ASP 80 HB2 ASP 80 -10.667 -3.469 15.903 519 HB3 ASP 80 HB3 ASP 80 -11.957 -4.181 16.852 520 HD2 ASP 80 HD2 ASP 80 -8.360 -4.920 17.964 521 H ASP 81 H ASP 81 -13.340 -6.028 13.363 522 HA ASP 81 HA ASP 81 -15.154 -6.707 15.534 523 HB2 ASP 81 HB2 ASP 81 -16.964 -6.410 13.958 524 HB3 ASP 81 HB3 ASP 81 -15.904 -5.024 13.797 525 HD2 ASP 81 HD2 ASP 81 -16.484 -8.096 11.747 526 H GLY 82 H GLY 82 -12.802 -8.275 14.225 527 HA2 GLY 82 HA2 GLY 82 -12.589 -10.584 14.146 528 HA3 GLY 82 HA3 GLY 82 -14.298 -10.751 13.796 529 H ARG 83 H ARG 83 -13.753 -8.311 11.787 530 HA ARG 83 HA ARG 83 -14.012 -9.516 9.500 531 HB2 ARG 83 HB2 ARG 83 -13.034 -6.960 10.345 532 HB3 ARG 83 HB3 ARG 83 -11.943 -7.499 9.083 533 HG2 ARG 83 HG2 ARG 83 -13.952 -6.192 8.243 534 HG3 ARG 83 HG3 ARG 83 -13.749 -7.764 7.495 535 HD2 ARG 83 HD2 ARG 83 -15.796 -8.425 8.221 536 HD3 ARG 83 HD3 ARG 83 -15.353 -8.099 9.885 537 HE ARG 83 HE ARG 83 -16.426 -6.004 9.760 538 H THR 84 H THR 84 -12.853 -10.811 8.047 539 HA THR 84 HA THR 84 -9.983 -11.155 8.578 540 HB THR 84 HB THR 84 -10.480 -13.659 8.083 541 HG1 THR 84 HG1 THR 84 -12.621 -13.755 7.469 542 HG21 THR 84 HG21 THR 84 -10.541 -12.259 10.520 543 HG22 THR 84 HG22 THR 84 -12.081 -13.151 10.515 544 HG23 THR 84 HG23 THR 84 -10.543 -14.031 10.347 545 H ALA 85 H ALA 85 -8.753 -11.988 6.737 546 HA ALA 85 HA ALA 85 -9.521 -10.643 4.377 547 HB1 ALA 85 HB1 ALA 85 -7.419 -11.380 3.546 548 HB2 ALA 85 HB2 ALA 85 -7.172 -11.154 5.295 549 HB3 ALA 85 HB3 ALA 85 -7.393 -12.791 4.631 550 H LYS 86 H LYS 86 -9.866 -11.637 2.231 551 HA LYS 86 HA LYS 86 -11.499 -14.037 2.527 552 HB2 LYS 86 HB2 LYS 86 -12.294 -11.801 1.468 553 HB3 LYS 86 HB3 LYS 86 -11.354 -12.292 0.073 554 HG2 LYS 86 HG2 LYS 86 -12.627 -14.579 0.280 555 HG3 LYS 86 HG3 LYS 86 -13.735 -13.711 1.323 556 HD2 LYS 86 HD2 LYS 86 -13.823 -11.943 -0.634 557 HD3 LYS 86 HD3 LYS 86 -13.149 -13.228 -1.616 558 HE2 LYS 86 HE2 LYS 86 -15.066 -14.572 -1.434 559 HE3 LYS 86 HE3 LYS 86 -15.537 -13.886 0.108 560 HZ1 LYS 86 HZ1 LYS 86 -16.993 -13.045 -1.601 561 HZ2 LYS 86 HZ2 LYS 86 -16.071 -11.794 -1.112 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 16.788 -13.600 4.441 2 HA ALA 1 HA ALA 1 14.734 -13.486 2.443 3 HB1 ALA 1 HB1 ALA 1 14.390 -15.196 4.846 4 HB2 ALA 1 HB2 ALA 1 14.301 -15.617 3.119 5 HB3 ALA 1 HB3 ALA 1 15.884 -15.477 3.921 6 H ASP 2 H ASP 2 14.680 -11.012 3.540 7 HA ASP 2 HA ASP 2 12.090 -10.824 4.446 8 HB2 ASP 2 HB2 ASP 2 12.435 -10.048 6.776 9 HB3 ASP 2 HB3 ASP 2 12.939 -11.715 6.584 10 HD2 ASP 2 HD2 ASP 2 15.375 -11.181 5.433 11 H GLU 3 H GLU 3 12.075 -9.097 2.896 12 HA GLU 3 HA GLU 3 13.656 -6.788 3.710 13 HB2 GLU 3 HB2 GLU 3 14.009 -6.209 1.339 14 HB3 GLU 3 HB3 GLU 3 14.676 -7.791 1.694 15 HG2 GLU 3 HG2 GLU 3 11.943 -8.213 0.941 16 HG3 GLU 3 HG3 GLU 3 12.608 -7.079 -0.218 17 HE2 GLU 3 HE2 GLU 3 12.736 -9.862 -1.619 18 H THR 4 H THR 4 12.575 -4.784 3.660 19 HA THR 4 HA THR 4 9.785 -4.848 3.852 20 HB THR 4 HB THR 4 10.115 -2.321 3.853 21 HG1 THR 4 HG1 THR 4 12.408 -1.720 3.565 22 HG21 THR 4 HG21 THR 4 12.313 -3.775 5.409 23 HG22 THR 4 HG22 THR 4 11.566 -2.212 5.818 24 HG23 THR 4 HG23 THR 4 10.617 -3.713 5.944 25 H LEU 5 H LEU 5 8.228 -3.546 2.528 26 HA LEU 5 HA LEU 5 8.322 -4.505 -0.123 27 HB2 LEU 5 HB2 LEU 5 6.349 -3.885 1.515 28 HB3 LEU 5 HB3 LEU 5 6.480 -2.318 0.742 29 HG LEU 5 HG LEU 5 6.430 -3.963 -1.441 30 HD11 LEU 5 HD11 LEU 5 5.095 -5.810 -1.199 31 HD12 LEU 5 HD12 LEU 5 5.954 -5.825 0.360 32 HD13 LEU 5 HD13 LEU 5 4.296 -5.186 0.264 33 HD21 LEU 5 HD21 LEU 5 4.349 -3.033 -1.900 34 HD22 LEU 5 HD22 LEU 5 3.860 -3.023 -0.189 35 HD23 LEU 5 HD23 LEU 5 5.077 -1.863 -0.773 36 H ALA 6 H ALA 6 8.920 -1.301 1.419 37 HA ALA 6 HA ALA 6 9.190 0.152 -0.937 38 HB1 ALA 6 HB1 ALA 6 8.945 1.092 1.352 39 HB2 ALA 6 HB2 ALA 6 10.590 0.534 1.740 40 HB3 ALA 6 HB3 ALA 6 10.344 1.777 0.490 41 H GLU 7 H GLU 7 11.314 -2.169 0.687 42 HA GLU 7 HA GLU 7 13.642 -1.305 -0.664 43 HB2 GLU 7 HB2 GLU 7 12.903 -3.726 1.000 44 HB3 GLU 7 HB3 GLU 7 14.431 -3.685 0.144 45 HG2 GLU 7 HG2 GLU 7 13.576 -1.376 1.930 46 HG3 GLU 7 HG3 GLU 7 14.365 -2.790 2.600 47 HE2 GLU 7 HE2 GLU 7 15.570 -0.042 2.284 48 H PHE 8 H PHE 8 11.383 -4.128 -1.017 49 HA PHE 8 HA PHE 8 12.596 -5.351 -3.136 50 HB2 PHE 8 HB2 PHE 8 10.639 -6.228 -1.880 51 HB3 PHE 8 HB3 PHE 8 9.655 -4.869 -2.385 52 HD1 PHE 8 HD1 PHE 8 11.502 -7.796 -3.753 53 HD2 PHE 8 HD2 PHE 8 8.312 -5.048 -4.279 54 HE1 PHE 8 HE1 PHE 8 10.688 -9.118 -5.725 55 HE2 PHE 8 HE2 PHE 8 7.498 -6.370 -6.251 56 HZ PHE 8 HZ PHE 8 8.696 -8.389 -6.951 57 H HIS 9 H HIS 9 10.479 -2.456 -3.100 58 HA HIS 9 HA HIS 9 10.221 -2.414 -5.933 59 HB2 HIS 9 HB2 HIS 9 9.455 -0.605 -3.665 60 HB3 HIS 9 HB3 HIS 9 9.432 0.022 -5.301 61 HD1 HIS 9 HD1 HIS 9 7.746 -2.541 -3.084 62 HD2 HIS 9 HD2 HIS 9 7.335 -0.899 -6.923 63 HE1 HIS 9 HE1 HIS 9 5.480 -3.325 -3.958 64 H VAL 10 H VAL 10 12.415 -1.029 -3.484 65 HA VAL 10 HA VAL 10 13.589 0.929 -5.071 66 HB VAL 10 HB VAL 10 14.381 -0.664 -2.664 67 HG11 VAL 10 HG11 VAL 10 16.492 0.568 -2.487 68 HG12 VAL 10 HG12 VAL 10 16.461 -0.432 -3.959 69 HG13 VAL 10 HG13 VAL 10 16.197 1.325 -4.070 70 HG21 VAL 10 HG21 VAL 10 12.986 1.721 -3.103 71 HG22 VAL 10 HG22 VAL 10 13.609 1.114 -1.550 72 HG23 VAL 10 HG23 VAL 10 14.588 2.236 -2.525 73 H GLU 11 H GLU 11 14.695 -2.471 -4.400 74 HA GLU 11 HA GLU 11 16.835 -2.431 -6.077 75 HB2 GLU 11 HB2 GLU 11 16.100 -4.242 -4.412 76 HB3 GLU 11 HB3 GLU 11 15.030 -4.848 -5.661 77 HG2 GLU 11 HG2 GLU 11 17.074 -6.122 -5.827 78 HG3 GLU 11 HG3 GLU 11 17.045 -5.039 -7.205 79 HE2 GLU 11 HE2 GLU 11 19.742 -4.530 -4.297 80 H MET 12 H MET 12 13.451 -2.309 -6.864 81 HA MET 12 HA MET 12 14.001 -3.200 -9.573 82 HB2 MET 12 HB2 MET 12 11.737 -3.328 -7.740 83 HB3 MET 12 HB3 MET 12 11.237 -2.454 -9.174 84 HG2 MET 12 HG2 MET 12 12.238 -4.371 -10.566 85 HG3 MET 12 HG3 MET 12 12.447 -5.255 -9.067 86 HE1 MET 12 HE1 MET 12 10.226 -4.946 -7.240 87 HE2 MET 12 HE2 MET 12 9.674 -3.397 -7.922 88 HE3 MET 12 HE3 MET 12 8.561 -4.784 -7.849 89 H GLY 13 H GLY 13 14.724 -0.502 -8.174 90 HA2 GLY 13 HA2 GLY 13 14.481 1.161 -10.380 91 HA3 GLY 13 HA3 GLY 13 13.106 1.507 -9.351 92 H GLY 14 H GLY 14 13.570 1.971 -6.974 93 HA2 GLY 14 HA2 GLY 14 15.930 2.423 -5.771 94 HA3 GLY 14 HA3 GLY 14 15.795 3.819 -6.821 95 H CYS 15 H CYS 15 15.776 4.932 -4.606 96 HA CYS 15 HA CYS 15 13.458 4.620 -3.010 97 HB2 CYS 15 HB2 CYS 15 15.599 6.753 -3.070 98 HB3 CYS 15 HB3 CYS 15 14.299 6.706 -1.896 99 H GLU 16 H GLU 16 14.299 6.299 -5.957 100 HA GLU 16 HA GLU 16 12.296 8.310 -5.624 101 HB2 GLU 16 HB2 GLU 16 14.033 7.545 -8.012 102 HB3 GLU 16 HB3 GLU 16 12.950 8.922 -7.985 103 HG2 GLU 16 HG2 GLU 16 14.944 9.943 -7.327 104 HG3 GLU 16 HG3 GLU 16 14.253 9.563 -5.762 105 HE2 GLU 16 HE2 GLU 16 16.983 7.653 -4.946 106 H ASN 17 H ASN 17 11.838 5.183 -5.797 107 HA ASN 17 HA ASN 17 10.392 4.814 -8.163 108 HB2 ASN 17 HB2 ASN 17 11.390 3.053 -6.485 109 HB3 ASN 17 HB3 ASN 17 9.918 3.289 -5.563 110 HD21 ASN 17 HD21 ASN 17 7.868 3.274 -6.968 111 HD22 ASN 17 HD22 ASN 17 7.718 1.973 -8.102 112 H CYS 18 H CYS 18 9.718 6.136 -4.938 113 HA CYS 18 HA CYS 18 7.036 6.795 -5.824 114 HB2 CYS 18 HB2 CYS 18 7.233 5.834 -3.006 115 HB3 CYS 18 HB3 CYS 18 5.873 5.808 -4.110 116 H HIS 19 H HIS 19 9.818 8.035 -5.332 117 HA HIS 19 HA HIS 19 8.829 10.174 -3.620 118 HB2 HIS 19 HB2 HIS 19 11.507 8.791 -3.319 119 HB3 HIS 19 HB3 HIS 19 11.122 10.339 -2.595 120 HD1 HIS 19 HD1 HIS 19 8.219 9.708 -1.594 121 HD2 HIS 19 HD2 HIS 19 11.535 7.191 -1.080 122 HE1 HIS 19 HE1 HIS 19 7.683 8.220 0.408 123 H ALA 20 H ALA 20 9.128 12.160 -4.536 124 HA ALA 20 HA ALA 20 10.567 12.212 -7.055 125 HB1 ALA 20 HB1 ALA 20 9.365 14.719 -6.138 126 HB2 ALA 20 HB2 ALA 20 9.035 13.770 -7.608 127 HB3 ALA 20 HB3 ALA 20 8.211 13.365 -6.083 128 H ASP 21 H ASP 21 12.648 12.872 -7.207 129 HA ASP 21 HA ASP 21 14.617 13.551 -6.547 130 HB2 ASP 21 HB2 ASP 21 13.044 15.724 -7.009 131 HB3 ASP 21 HB3 ASP 21 13.469 16.055 -5.341 132 HD2 ASP 21 HD2 ASP 21 16.052 17.107 -5.376 133 H GLY 22 H GLY 22 13.344 11.915 -4.550 134 HA2 GLY 22 HA2 GLY 22 13.456 11.338 -2.381 135 HA3 GLY 22 HA3 GLY 22 14.910 12.314 -2.308 136 H GLU 23 H GLU 23 11.358 13.021 -2.709 137 HA GLU 23 HA GLU 23 11.507 14.563 -0.271 138 HB2 GLU 23 HB2 GLU 23 11.985 16.112 -2.229 139 HB3 GLU 23 HB3 GLU 23 10.384 15.753 -2.843 140 HG2 GLU 23 HG2 GLU 23 9.736 17.550 -1.582 141 HG3 GLU 23 HG3 GLU 23 9.764 16.412 -0.250 142 HE2 GLU 23 HE2 GLU 23 12.054 19.484 -0.577 143 HA PRO 24 HA PRO 24 7.959 11.601 -0.497 144 HB2 PRO 24 HB2 PRO 24 8.284 12.226 2.451 145 HB3 PRO 24 HB3 PRO 24 8.006 10.665 1.611 146 HG2 PRO 24 HG2 PRO 24 10.499 11.330 2.529 147 HG3 PRO 24 HG3 PRO 24 10.077 10.416 1.044 148 HD2 PRO 24 HD2 PRO 24 10.949 13.316 1.397 149 HD3 PRO 24 HD3 PRO 24 11.383 12.155 0.106 150 H SER 25 H SER 25 5.849 12.339 -0.788 151 HA SER 25 HA SER 25 5.266 14.998 -0.551 152 HB2 SER 25 HB2 SER 25 4.002 12.738 -1.549 153 HB3 SER 25 HB3 SER 25 2.942 13.182 -0.225 154 HG SER 25 HG SER 25 2.126 14.559 -1.657 155 H LYS 26 H LYS 26 3.537 16.027 0.893 156 HA LYS 26 HA LYS 26 3.819 14.962 3.616 157 HB2 LYS 26 HB2 LYS 26 3.726 17.230 4.423 158 HB3 LYS 26 HB3 LYS 26 4.995 17.099 3.222 159 HG2 LYS 26 HG2 LYS 26 2.753 17.759 1.680 160 HG3 LYS 26 HG3 LYS 26 2.496 18.680 3.148 161 HD2 LYS 26 HD2 LYS 26 4.346 20.030 2.802 162 HD3 LYS 26 HD3 LYS 26 5.282 18.748 2.059 163 HE2 LYS 26 HE2 LYS 26 4.861 20.000 0.157 164 HE3 LYS 26 HE3 LYS 26 3.425 18.996 0.121 165 HZ1 LYS 26 HZ1 LYS 26 3.361 21.680 0.147 166 HZ2 LYS 26 HZ2 LYS 26 2.120 20.759 0.660 167 H ASP 27 H ASP 27 1.862 13.986 1.726 168 HA ASP 27 HA ASP 27 -0.479 14.829 3.202 169 HB2 ASP 27 HB2 ASP 27 -1.719 14.564 0.878 170 HB3 ASP 27 HB3 ASP 27 -0.953 16.086 1.292 171 HD2 ASP 27 HD2 ASP 27 -1.385 14.799 -1.406 172 H GLY 28 H GLY 28 0.521 12.759 0.359 173 HA2 GLY 28 HA2 GLY 28 0.816 10.342 0.996 174 HA3 GLY 28 HA3 GLY 28 -0.797 10.460 1.671 175 H ALA 29 H ALA 29 -2.059 12.143 -0.276 176 HA ALA 29 HA ALA 29 -2.936 10.308 -2.109 177 HB1 ALA 29 HB1 ALA 29 -2.868 13.209 -2.867 178 HB2 ALA 29 HB2 ALA 29 -4.217 12.049 -2.914 179 HB3 ALA 29 HB3 ALA 29 -3.707 12.759 -1.363 180 H TYR 30 H TYR 30 -0.480 12.880 -2.512 181 HA TYR 30 HA TYR 30 0.210 12.534 -5.162 182 HB2 TYR 30 HB2 TYR 30 1.120 14.226 -3.565 183 HB3 TYR 30 HB3 TYR 30 2.132 12.959 -2.851 184 HD1 TYR 30 HD1 TYR 30 1.326 13.689 -6.442 185 HD2 TYR 30 HD2 TYR 30 4.335 13.501 -3.382 186 HE1 TYR 30 HE1 TYR 30 3.080 14.132 -8.139 187 HE2 TYR 30 HE2 TYR 30 6.089 13.944 -5.079 188 HH TYR 30 HH TYR 30 6.034 13.508 -8.024 189 H GLU 31 H GLU 31 1.324 10.553 -2.320 190 HA GLU 31 HA GLU 31 3.057 9.024 -3.904 191 HB2 GLU 31 HB2 GLU 31 2.168 9.124 -1.119 192 HB3 GLU 31 HB3 GLU 31 2.302 7.465 -1.666 193 HG2 GLU 31 HG2 GLU 31 4.494 9.571 -1.981 194 HG3 GLU 31 HG3 GLU 31 4.447 8.373 -0.703 195 HE2 GLU 31 HE2 GLU 31 5.934 6.771 -1.339 196 H PHE 32 H PHE 32 -0.276 8.440 -2.590 197 HA PHE 32 HA PHE 32 -0.713 5.921 -3.439 198 HB2 PHE 32 HB2 PHE 32 -2.374 7.239 -2.206 199 HB3 PHE 32 HB3 PHE 32 -2.410 8.474 -3.448 200 HD1 PHE 32 HD1 PHE 32 -2.500 4.892 -4.265 201 HD2 PHE 32 HD2 PHE 32 -4.798 8.416 -3.708 202 HE1 PHE 32 HE1 PHE 32 -4.479 3.769 -5.324 203 HE2 PHE 32 HE2 PHE 32 -6.777 7.293 -4.767 204 HZ PHE 32 HZ PHE 32 -6.594 4.983 -5.563 205 H GLU 33 H GLU 33 -0.306 8.806 -5.440 206 HA GLU 33 HA GLU 33 -1.593 7.775 -7.707 207 HB2 GLU 33 HB2 GLU 33 -0.133 10.170 -6.947 208 HB3 GLU 33 HB3 GLU 33 0.420 9.627 -8.519 209 HG2 GLU 33 HG2 GLU 33 -2.523 9.481 -8.221 210 HG3 GLU 33 HG3 GLU 33 -1.900 11.108 -8.028 211 HE2 GLU 33 HE2 GLU 33 -3.038 9.415 -10.707 212 H GLN 34 H GLN 34 1.815 7.782 -6.524 213 HA GLN 34 HA GLN 34 3.040 6.838 -8.754 214 HB2 GLN 34 HB2 GLN 34 3.610 6.254 -5.818 215 HB3 GLN 34 HB3 GLN 34 4.707 5.813 -7.111 216 HG2 GLN 34 HG2 GLN 34 3.865 8.598 -6.235 217 HG3 GLN 34 HG3 GLN 34 5.485 7.937 -6.329 218 HE21 GLN 34 HE21 GLN 34 4.083 10.301 -7.553 219 HE22 GLN 34 HE22 GLN 34 4.421 10.224 -9.250 220 H CYS 35 H CYS 35 1.087 5.083 -6.320 221 HA CYS 35 HA CYS 35 1.759 2.541 -7.488 222 HB2 CYS 35 HB2 CYS 35 -0.475 2.828 -5.541 223 HB3 CYS 35 HB3 CYS 35 0.730 1.566 -5.697 224 H GLN 36 H GLN 36 0.817 4.101 -9.524 225 HA GLN 36 HA GLN 36 -1.672 2.800 -10.099 226 HB2 GLN 36 HB2 GLN 36 -1.751 5.427 -9.116 227 HB3 GLN 36 HB3 GLN 36 -1.858 5.640 -10.852 228 HG2 GLN 36 HG2 GLN 36 -3.797 4.178 -11.000 229 HG3 GLN 36 HG3 GLN 36 -3.598 3.639 -9.345 230 HE21 GLN 36 HE21 GLN 36 -3.215 5.786 -7.871 231 HE22 GLN 36 HE22 GLN 36 -4.528 6.912 -7.955 232 H SER 37 H SER 37 0.244 1.811 -11.392 233 HA SER 37 HA SER 37 0.022 2.789 -14.013 234 HB2 SER 37 HB2 SER 37 2.319 3.693 -12.419 235 HB3 SER 37 HB3 SER 37 2.833 2.808 -13.842 236 HG SER 37 HG SER 37 1.451 4.239 -15.131 237 H CYS 38 H CYS 38 2.702 1.146 -12.172 238 HA CYS 38 HA CYS 38 2.777 -0.984 -14.021 239 HB2 CYS 38 HB2 CYS 38 3.973 -1.117 -11.255 240 HB3 CYS 38 HB3 CYS 38 4.552 -1.841 -12.742 241 H HIS 39 H HIS 39 0.626 -0.120 -11.519 242 HA HIS 39 HA HIS 39 -0.151 -2.926 -11.174 243 HB2 HIS 39 HB2 HIS 39 -0.340 -0.602 -9.244 244 HB3 HIS 39 HB3 HIS 39 -1.199 -2.112 -9.013 245 HD1 HIS 39 HD1 HIS 39 0.633 -4.326 -9.252 246 HD2 HIS 39 HD2 HIS 39 2.022 -0.607 -7.897 247 HE1 HIS 39 HE1 HIS 39 2.805 -4.789 -7.996 248 H GLY 40 H GLY 40 -1.949 0.030 -10.229 249 HA2 GLY 40 HA2 GLY 40 -3.486 0.664 -12.305 250 HA3 GLY 40 HA3 GLY 40 -4.196 -0.870 -11.845 251 H SER 41 H SER 41 -6.178 0.373 -11.335 252 HA SER 41 HA SER 41 -5.899 1.943 -8.905 253 HB2 SER 41 HB2 SER 41 -8.414 1.751 -10.592 254 HB3 SER 41 HB3 SER 41 -7.950 3.022 -9.478 255 HG SER 41 HG SER 41 -6.686 3.952 -10.979 256 H LEU 42 H LEU 42 -7.252 1.480 -7.052 257 HA LEU 42 HA LEU 42 -7.638 -1.211 -6.531 258 HB2 LEU 42 HB2 LEU 42 -9.000 1.126 -5.189 259 HB3 LEU 42 HB3 LEU 42 -8.752 -0.475 -4.521 260 HG LEU 42 HG LEU 42 -6.283 0.919 -5.371 261 HD11 LEU 42 HD11 LEU 42 -6.192 2.536 -3.681 262 HD12 LEU 42 HD12 LEU 42 -7.817 2.720 -4.383 263 HD13 LEU 42 HD13 LEU 42 -7.608 1.869 -2.834 264 HD21 LEU 42 HD21 LEU 42 -5.491 -0.749 -4.140 265 HD22 LEU 42 HD22 LEU 42 -6.135 0.074 -2.699 266 HD23 LEU 42 HD23 LEU 42 -7.117 -1.152 -3.537 267 H ALA 43 H ALA 43 -9.752 1.227 -8.032 268 HA ALA 43 HA ALA 43 -12.139 -0.256 -7.766 269 HB1 ALA 43 HB1 ALA 43 -12.063 1.474 -10.098 270 HB2 ALA 43 HB2 ALA 43 -12.975 1.665 -8.582 271 HB3 ALA 43 HB3 ALA 43 -11.309 2.278 -8.700 272 H GLU 44 H GLU 44 -9.276 -0.886 -9.474 273 HA GLU 44 HA GLU 44 -10.781 -2.457 -11.419 274 HB2 GLU 44 HB2 GLU 44 -8.317 -0.794 -11.663 275 HB3 GLU 44 HB3 GLU 44 -8.257 -2.338 -12.490 276 HG2 GLU 44 HG2 GLU 44 -10.600 -1.706 -13.456 277 HG3 GLU 44 HG3 GLU 44 -10.258 -0.082 -12.894 278 HE2 GLU 44 HE2 GLU 44 -9.209 1.097 -14.255 279 H MET 45 H MET 45 -9.959 -3.071 -8.561 280 HA MET 45 HA MET 45 -8.250 -5.353 -9.194 281 HB2 MET 45 HB2 MET 45 -8.558 -3.792 -6.567 282 HB3 MET 45 HB3 MET 45 -7.546 -5.209 -6.758 283 HG2 MET 45 HG2 MET 45 -6.382 -3.892 -8.695 284 HG3 MET 45 HG3 MET 45 -7.193 -2.477 -8.055 285 HE1 MET 45 HE1 MET 45 -3.621 -1.939 -6.744 286 HE2 MET 45 HE2 MET 45 -4.517 -2.068 -8.277 287 HE3 MET 45 HE3 MET 45 -5.123 -1.013 -6.977 288 H ASP 46 H ASP 46 -8.567 -6.882 -6.897 289 HA ASP 46 HA ASP 46 -10.846 -8.242 -7.387 290 HB2 ASP 46 HB2 ASP 46 -9.855 -8.104 -4.542 291 HB3 ASP 46 HB3 ASP 46 -10.323 -9.511 -5.476 292 HD2 ASP 46 HD2 ASP 46 -8.644 -9.109 -7.651 293 H ASP 47 H ASP 47 -12.578 -8.634 -5.401 294 HA ASP 47 HA ASP 47 -13.926 -6.152 -5.190 295 HB2 ASP 47 HB2 ASP 47 -14.825 -8.654 -5.408 296 HB3 ASP 47 HB3 ASP 47 -14.715 -8.643 -3.659 297 HD2 ASP 47 HD2 ASP 47 -17.318 -8.865 -4.359 298 H ASN 48 H ASN 48 -11.302 -7.310 -3.579 299 HA ASN 48 HA ASN 48 -12.259 -6.666 -0.926 300 HB2 ASN 48 HB2 ASN 48 -9.487 -7.639 -1.792 301 HB3 ASN 48 HB3 ASN 48 -10.102 -7.595 -0.151 302 HD21 ASN 48 HD21 ASN 48 -9.207 -9.910 -0.763 303 HD22 ASN 48 HD22 ASN 48 -10.423 -11.077 -1.162 304 H HIS 49 H HIS 49 -10.339 -5.487 -3.648 305 HA HIS 49 HA HIS 49 -9.114 -3.422 -2.010 306 HB2 HIS 49 HB2 HIS 49 -8.657 -4.473 -4.791 307 HB3 HIS 49 HB3 HIS 49 -8.070 -2.882 -4.350 308 HD1 HIS 49 HD1 HIS 49 -7.660 -6.542 -3.388 309 HD2 HIS 49 HD2 HIS 49 -5.748 -2.850 -2.827 310 HE1 HIS 49 HE1 HIS 49 -5.415 -7.058 -2.290 311 H LYS 50 H LYS 50 -11.724 -4.010 -4.307 312 HA LYS 50 HA LYS 50 -12.077 -1.415 -5.247 313 HB2 LYS 50 HB2 LYS 50 -13.719 -3.893 -5.055 314 HB3 LYS 50 HB3 LYS 50 -14.584 -2.392 -5.316 315 HG2 LYS 50 HG2 LYS 50 -13.106 -1.880 -7.270 316 HG3 LYS 50 HG3 LYS 50 -12.239 -3.380 -7.009 317 HD2 LYS 50 HD2 LYS 50 -15.213 -3.635 -7.225 318 HD3 LYS 50 HD3 LYS 50 -14.391 -3.136 -8.691 319 HE2 LYS 50 HE2 LYS 50 -13.264 -5.157 -8.924 320 HE3 LYS 50 HE3 LYS 50 -13.144 -5.419 -7.195 321 HZ1 LYS 50 HZ1 LYS 50 -14.832 -6.863 -7.561 322 HZ2 LYS 50 HZ2 LYS 50 -15.812 -5.564 -7.609 323 HA PRO 51 HA PRO 51 -15.594 -1.223 -1.643 324 HB2 PRO 51 HB2 PRO 51 -13.762 -2.814 0.193 325 HB3 PRO 51 HB3 PRO 51 -15.550 -2.673 0.168 326 HG2 PRO 51 HG2 PRO 51 -14.044 -4.606 -0.923 327 HG3 PRO 51 HG3 PRO 51 -15.725 -4.474 -1.534 328 HD2 PRO 51 HD2 PRO 51 -13.291 -4.055 -3.006 329 HD3 PRO 51 HD3 PRO 51 -14.943 -3.628 -3.544 330 H HIS 52 H HIS 52 -12.000 -1.463 -1.015 331 HA HIS 52 HA HIS 52 -12.113 0.838 0.667 332 HB2 HIS 52 HB2 HIS 52 -9.797 -0.740 -0.486 333 HB3 HIS 52 HB3 HIS 52 -9.615 0.594 0.636 334 HD1 HIS 52 HD1 HIS 52 -9.636 -2.937 0.666 335 HD2 HIS 52 HD2 HIS 52 -11.426 -0.026 3.099 336 HE1 HIS 52 HE1 HIS 52 -10.177 -4.088 2.878 337 H ASP 53 H ASP 53 -10.909 0.077 -2.664 338 HA ASP 53 HA ASP 53 -9.680 2.041 -3.600 339 HB2 ASP 53 HB2 ASP 53 -10.931 0.449 -5.039 340 HB3 ASP 53 HB3 ASP 53 -12.427 1.301 -4.713 341 HD2 ASP 53 HD2 ASP 53 -12.881 1.958 -6.604 342 H GLY 54 H GLY 54 -9.613 4.147 -2.741 343 HA2 GLY 54 HA2 GLY 54 -10.338 6.338 -2.769 344 HA3 GLY 54 HA3 GLY 54 -11.975 5.816 -3.112 345 H LEU 55 H LEU 55 -9.580 4.999 -0.495 346 HA LEU 55 HA LEU 55 -11.236 6.281 1.465 347 HB2 LEU 55 HB2 LEU 55 -11.182 3.306 1.156 348 HB3 LEU 55 HB3 LEU 55 -11.262 3.999 2.763 349 HG LEU 55 HG LEU 55 -13.255 4.396 0.518 350 HD11 LEU 55 HD11 LEU 55 -13.063 2.556 2.799 351 HD12 LEU 55 HD12 LEU 55 -14.620 3.411 2.680 352 HD13 LEU 55 HD13 LEU 55 -14.025 2.448 1.306 353 HD21 LEU 55 HD21 LEU 55 -13.818 6.325 1.465 354 HD22 LEU 55 HD22 LEU 55 -14.346 5.399 2.890 355 HD23 LEU 55 HD23 LEU 55 -12.695 6.061 2.821 356 H LEU 56 H LEU 56 -8.739 3.646 1.207 357 HA LEU 56 HA LEU 56 -6.953 5.423 2.708 358 HB2 LEU 56 HB2 LEU 56 -6.334 3.787 4.205 359 HB3 LEU 56 HB3 LEU 56 -8.074 3.612 4.103 360 HG LEU 56 HG LEU 56 -6.591 1.897 2.219 361 HD11 LEU 56 HD11 LEU 56 -5.040 1.134 3.618 362 HD12 LEU 56 HD12 LEU 56 -5.734 2.029 4.992 363 HD13 LEU 56 HD13 LEU 56 -6.363 0.418 4.569 364 HD21 LEU 56 HD21 LEU 56 -9.133 2.002 3.284 365 HD22 LEU 56 HD22 LEU 56 -8.424 0.636 2.390 366 HD23 LEU 56 HD23 LEU 56 -8.383 0.652 4.169 367 H MET 57 H MET 57 -4.832 5.478 1.984 368 HA MET 57 HA MET 57 -4.413 4.670 -0.635 369 HB2 MET 57 HB2 MET 57 -2.613 5.614 1.644 370 HB3 MET 57 HB3 MET 57 -1.920 5.200 0.089 371 HG2 MET 57 HG2 MET 57 -2.315 7.484 -0.224 372 HG3 MET 57 HG3 MET 57 -3.802 6.821 -0.870 373 HE1 MET 57 HE1 MET 57 -4.970 8.795 -0.741 374 HE2 MET 57 HE2 MET 57 -6.223 7.858 0.107 375 HE3 MET 57 HE3 MET 57 -5.766 9.472 0.700 376 H CYS 58 H CYS 58 -2.332 3.331 -1.274 377 HA CYS 58 HA CYS 58 -2.803 0.706 -0.536 378 HB2 CYS 58 HB2 CYS 58 -0.193 1.714 -1.660 379 HB3 CYS 58 HB3 CYS 58 -0.917 0.130 -1.853 380 H ALA 59 H ALA 59 0.266 2.576 0.058 381 HA ALA 59 HA ALA 59 1.469 1.025 1.846 382 HB1 ALA 59 HB1 ALA 59 1.158 4.043 2.116 383 HB2 ALA 59 HB2 ALA 59 2.496 3.054 2.747 384 HB3 ALA 59 HB3 ALA 59 2.269 3.227 0.990 385 H ASP 60 H ASP 60 -1.145 3.409 2.660 386 HA ASP 60 HA ASP 60 -1.285 3.280 5.260 387 HB2 ASP 60 HB2 ASP 60 -3.176 3.641 3.121 388 HB3 ASP 60 HB3 ASP 60 -3.962 2.655 4.338 389 HD2 ASP 60 HD2 ASP 60 -3.036 6.393 4.476 390 H CYS 61 H CYS 61 -1.990 0.614 2.991 391 HA CYS 61 HA CYS 61 -2.740 -1.083 5.252 392 HB2 CYS 61 HB2 CYS 61 -3.703 -0.880 2.507 393 HB3 CYS 61 HB3 CYS 61 -3.203 -2.515 2.889 394 H HIS 62 H HIS 62 -0.851 -1.025 2.139 395 HA HIS 62 HA HIS 62 0.733 -3.246 3.060 396 HB2 HIS 62 HB2 HIS 62 0.814 -1.604 0.514 397 HB3 HIS 62 HB3 HIS 62 1.847 -2.983 0.837 398 HD1 HIS 62 HD1 HIS 62 0.229 -5.244 1.621 399 HD2 HIS 62 HD2 HIS 62 -1.349 -2.339 -0.960 400 HE1 HIS 62 HE1 HIS 62 -1.716 -6.354 0.400 401 H ALA 63 H ALA 63 1.156 -1.533 4.999 402 HA ALA 63 HA ALA 63 2.749 0.604 4.843 403 HB1 ALA 63 HB1 ALA 63 1.929 -1.165 6.812 404 HB2 ALA 63 HB2 ALA 63 3.702 -1.318 6.862 405 HB3 ALA 63 HB3 ALA 63 2.940 0.277 7.073 406 HA PRO 64 HA PRO 64 6.051 -1.172 2.324 407 HB2 PRO 64 HB2 PRO 64 6.690 1.740 2.055 408 HB3 PRO 64 HB3 PRO 64 6.341 0.502 0.804 409 HG2 PRO 64 HG2 PRO 64 4.303 2.385 1.290 410 HG3 PRO 64 HG3 PRO 64 4.139 0.640 0.912 411 HD2 PRO 64 HD2 PRO 64 4.267 2.026 3.657 412 HD3 PRO 64 HD3 PRO 64 2.977 0.957 3.026 413 H HIS 65 H HIS 65 6.563 1.832 4.370 414 HA HIS 65 HA HIS 65 9.180 0.860 5.030 415 HB2 HIS 65 HB2 HIS 65 7.606 3.336 5.753 416 HB3 HIS 65 HB3 HIS 65 9.165 2.981 6.471 417 HD1 HIS 65 HD1 HIS 65 10.956 2.188 4.245 418 HD2 HIS 65 HD2 HIS 65 7.993 5.113 3.733 419 HE1 HIS 65 HE1 HIS 65 11.676 3.592 2.240 420 H GLU 66 H GLU 66 7.869 -1.201 5.860 421 HA GLU 66 HA GLU 66 8.315 -1.383 8.524 422 HB2 GLU 66 HB2 GLU 66 5.995 0.143 8.175 423 HB3 GLU 66 HB3 GLU 66 5.367 -1.461 8.498 424 HG2 GLU 66 HG2 GLU 66 7.411 -1.249 10.380 425 HG3 GLU 66 HG3 GLU 66 6.812 0.396 10.305 426 HE2 GLU 66 HE2 GLU 66 5.539 -1.086 12.838 427 H ALA 67 H ALA 67 5.595 -2.326 6.288 428 HA ALA 67 HA ALA 67 5.604 -5.013 7.106 429 HB1 ALA 67 HB1 ALA 67 4.686 -4.135 4.375 430 HB2 ALA 67 HB2 ALA 67 3.922 -5.263 5.521 431 HB3 ALA 67 HB3 ALA 67 3.849 -3.509 5.816 432 H LYS 68 H LYS 68 5.880 -6.772 5.181 433 HA LYS 68 HA LYS 68 8.322 -6.193 3.706 434 HB2 LYS 68 HB2 LYS 68 8.245 -8.768 5.226 435 HB3 LYS 68 HB3 LYS 68 9.618 -7.847 4.647 436 HG2 LYS 68 HG2 LYS 68 9.175 -6.090 6.368 437 HG3 LYS 68 HG3 LYS 68 7.788 -6.995 6.941 438 HD2 LYS 68 HD2 LYS 68 9.093 -8.372 8.192 439 HD3 LYS 68 HD3 LYS 68 10.139 -8.728 6.831 440 HE2 LYS 68 HE2 LYS 68 11.702 -7.150 7.442 441 HE3 LYS 68 HE3 LYS 68 10.490 -5.989 7.944 442 HZ1 LYS 68 HZ1 LYS 68 11.906 -7.076 9.762 443 HZ2 LYS 68 HZ2 LYS 68 10.302 -7.021 10.038 444 H VAL 69 H VAL 69 8.370 -7.173 1.705 445 HA VAL 69 HA VAL 69 6.181 -7.882 0.399 446 HB VAL 69 HB VAL 69 9.028 -8.758 0.190 447 HG11 VAL 69 HG11 VAL 69 6.719 -9.930 -1.362 448 HG12 VAL 69 HG12 VAL 69 8.349 -9.813 -2.067 449 HG13 VAL 69 HG13 VAL 69 8.087 -10.762 -0.584 450 HG21 VAL 69 HG21 VAL 69 8.228 -7.669 -2.213 451 HG22 VAL 69 HG22 VAL 69 7.227 -6.785 -1.036 452 HG23 VAL 69 HG23 VAL 69 9.000 -6.780 -0.877 453 H GLY 70 H GLY 70 4.689 -9.514 0.304 454 HA2 GLY 70 HA2 GLY 70 3.857 -11.631 0.553 455 HA3 GLY 70 HA3 GLY 70 5.331 -12.139 1.354 456 H GLU 71 H GLU 71 3.295 -9.278 2.187 457 HA GLU 71 HA GLU 71 2.825 -10.584 4.753 458 HB2 GLU 71 HB2 GLU 71 4.010 -8.083 4.174 459 HB3 GLU 71 HB3 GLU 71 2.406 -7.686 4.758 460 HG2 GLU 71 HG2 GLU 71 3.787 -7.793 6.714 461 HG3 GLU 71 HG3 GLU 71 2.842 -9.268 6.732 462 HE2 GLU 71 HE2 GLU 71 4.028 -11.212 6.407 463 H LYS 72 H LYS 72 0.709 -10.666 5.584 464 HA LYS 72 HA LYS 72 -1.347 -9.655 3.744 465 HB2 LYS 72 HB2 LYS 72 -1.148 -12.212 5.322 466 HB3 LYS 72 HB3 LYS 72 -2.715 -11.564 4.883 467 HG2 LYS 72 HG2 LYS 72 -1.123 -11.380 2.524 468 HG3 LYS 72 HG3 LYS 72 -0.773 -12.955 3.208 469 HD2 LYS 72 HD2 LYS 72 -3.371 -13.200 3.464 470 HD3 LYS 72 HD3 LYS 72 -3.472 -11.839 2.365 471 HE2 LYS 72 HE2 LYS 72 -3.594 -13.901 1.058 472 HE3 LYS 72 HE3 LYS 72 -2.075 -13.105 0.697 473 HZ1 LYS 72 HZ1 LYS 72 -0.946 -14.844 1.546 474 HZ2 LYS 72 HZ2 LYS 72 -1.824 -14.896 2.917 475 HA PRO 73 HA PRO 73 -1.497 -6.772 7.277 476 HB2 PRO 73 HB2 PRO 73 -3.654 -5.937 5.281 477 HB3 PRO 73 HB3 PRO 73 -2.582 -4.937 6.315 478 HG2 PRO 73 HG2 PRO 73 -1.964 -5.433 3.686 479 HG3 PRO 73 HG3 PRO 73 -0.676 -5.376 4.933 480 HD2 PRO 73 HD2 PRO 73 -1.945 -7.732 3.522 481 HD3 PRO 73 HD3 PRO 73 -0.294 -7.567 4.193 482 H THR 74 H THR 74 -2.838 -6.944 9.106 483 HA THR 74 HA THR 74 -5.035 -8.837 8.860 484 HB THR 74 HB THR 74 -4.904 -8.760 11.361 485 HG1 THR 74 HG1 THR 74 -4.275 -6.446 11.366 486 HG21 THR 74 HG21 THR 74 -2.143 -8.855 10.033 487 HG22 THR 74 HG22 THR 74 -2.519 -9.462 11.663 488 HG23 THR 74 HG23 THR 74 -3.238 -10.243 10.235 489 H CYS 75 H CYS 75 -7.181 -8.394 9.078 490 HA CYS 75 HA CYS 75 -7.956 -5.734 8.590 491 HB2 CYS 75 HB2 CYS 75 -9.802 -7.928 9.509 492 HB3 CYS 75 HB3 CYS 75 -10.169 -6.544 8.500 493 H ASP 76 H ASP 76 -7.924 -7.936 11.448 494 HA ASP 76 HA ASP 76 -9.414 -6.667 13.217 495 HB2 ASP 76 HB2 ASP 76 -7.418 -7.224 14.892 496 HB3 ASP 76 HB3 ASP 76 -8.323 -8.511 14.119 497 HD2 ASP 76 HD2 ASP 76 -6.693 -9.521 12.007 498 H THR 77 H THR 77 -6.375 -5.543 11.769 499 HA THR 77 HA THR 77 -5.579 -3.650 13.646 500 HB THR 77 HB THR 77 -5.334 -3.433 10.607 501 HG1 THR 77 HG1 THR 77 -3.800 -4.955 12.593 502 HG21 THR 77 HG21 THR 77 -2.850 -3.055 11.785 503 HG22 THR 77 HG22 THR 77 -3.939 -1.732 11.304 504 HG23 THR 77 HG23 THR 77 -3.932 -2.312 12.987 505 H CYS 78 H CYS 78 -7.991 -3.432 10.985 506 HA CYS 78 HA CYS 78 -8.693 -0.805 12.076 507 HB2 CYS 78 HB2 CYS 78 -8.708 -1.880 9.271 508 HB3 CYS 78 HB3 CYS 78 -9.876 -0.652 9.717 509 H HIS 79 H HIS 79 -9.961 -3.845 10.537 510 HA HIS 79 HA HIS 79 -12.560 -3.289 11.702 511 HB2 HIS 79 HB2 HIS 79 -11.731 -5.554 9.869 512 HB3 HIS 79 HB3 HIS 79 -13.366 -5.091 10.297 513 HD1 HIS 79 HD1 HIS 79 -13.657 -2.224 9.708 514 HD2 HIS 79 HD2 HIS 79 -11.191 -4.670 7.357 515 HE1 HIS 79 HE1 HIS 79 -13.398 -1.033 7.467 516 H ASP 80 H ASP 80 -12.203 -3.630 13.933 517 HA ASP 80 HA ASP 80 -11.039 -6.144 14.691 518 HB2 ASP 80 HB2 ASP 80 -11.029 -5.266 16.925 519 HB3 ASP 80 HB3 ASP 80 -10.588 -3.930 15.881 520 HD2 ASP 80 HD2 ASP 80 -12.930 -1.914 16.573 521 H ASP 81 H ASP 81 -13.565 -6.240 13.215 522 HA ASP 81 HA ASP 81 -15.426 -6.948 15.339 523 HB2 ASP 81 HB2 ASP 81 -17.161 -6.844 13.497 524 HB3 ASP 81 HB3 ASP 81 -16.385 -5.310 13.838 525 HD2 ASP 81 HD2 ASP 81 -16.510 -4.939 10.673 526 H GLY 82 H GLY 82 -13.045 -8.486 14.072 527 HA2 GLY 82 HA2 GLY 82 -12.866 -10.812 13.989 528 HA3 GLY 82 HA3 GLY 82 -14.541 -10.941 13.490 529 H ARG 83 H ARG 83 -13.958 -8.519 11.561 530 HA ARG 83 HA ARG 83 -13.944 -9.715 9.256 531 HB2 ARG 83 HB2 ARG 83 -13.254 -7.106 10.181 532 HB3 ARG 83 HB3 ARG 83 -11.988 -7.544 9.051 533 HG2 ARG 83 HG2 ARG 83 -13.964 -6.397 7.968 534 HG3 ARG 83 HG3 ARG 83 -13.593 -7.964 7.275 535 HD2 ARG 83 HD2 ARG 83 -15.681 -8.705 7.767 536 HD3 ARG 83 HD3 ARG 83 -15.412 -8.400 9.472 537 HE ARG 83 HE ARG 83 -16.510 -6.307 9.277 538 H THR 84 H THR 84 -12.583 -10.912 7.897 539 HA THR 84 HA THR 84 -9.735 -10.998 8.578 540 HB THR 84 HB THR 84 -9.957 -13.561 8.269 541 HG1 THR 84 HG1 THR 84 -12.258 -14.197 8.712 542 HG21 THR 84 HG21 THR 84 -10.568 -11.930 10.592 543 HG22 THR 84 HG22 THR 84 -11.663 -13.333 10.572 544 HG23 THR 84 HG23 THR 84 -9.901 -13.580 10.551 545 H ALA 85 H ALA 85 -8.370 -11.820 6.833 546 HA ALA 85 HA ALA 85 -9.109 -10.685 4.386 547 HB1 ALA 85 HB1 ALA 85 -6.998 -11.637 3.599 548 HB2 ALA 85 HB2 ALA 85 -6.784 -10.978 5.239 549 HB3 ALA 85 HB3 ALA 85 -6.941 -12.735 4.998 550 H LYS 86 H LYS 86 -9.569 -11.697 2.330 551 HA LYS 86 HA LYS 86 -11.223 -14.035 2.667 552 HB2 LYS 86 HB2 LYS 86 -11.695 -11.873 1.274 553 HB3 LYS 86 HB3 LYS 86 -10.700 -12.639 0.052 554 HG2 LYS 86 HG2 LYS 86 -12.779 -13.495 -0.546 555 HG3 LYS 86 HG3 LYS 86 -12.246 -14.757 0.545 556 HD2 LYS 86 HD2 LYS 86 -13.417 -13.353 2.423 557 HD3 LYS 86 HD3 LYS 86 -14.201 -12.498 1.110 558 HE2 LYS 86 HE2 LYS 86 -14.940 -14.797 0.208 559 HE3 LYS 86 HE3 LYS 86 -14.367 -15.483 1.716 560 HZ1 LYS 86 HZ1 LYS 86 -16.839 -14.443 1.352 561 HZ2 LYS 86 HZ2 LYS 86 -16.151 -14.657 2.812 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 14.436 -11.016 7.344 2 HA ALA 1 HA ALA 1 13.101 -13.502 7.550 3 HB1 ALA 1 HB1 ALA 1 10.803 -12.033 7.602 4 HB2 ALA 1 HB2 ALA 1 11.522 -12.801 9.038 5 HB3 ALA 1 HB3 ALA 1 11.823 -11.079 8.705 6 H ASP 2 H ASP 2 12.232 -10.170 6.374 7 HA ASP 2 HA ASP 2 12.936 -10.968 3.723 8 HB2 ASP 2 HB2 ASP 2 10.218 -11.192 4.646 9 HB3 ASP 2 HB3 ASP 2 10.278 -9.823 3.554 10 HD2 ASP 2 HD2 ASP 2 12.146 -10.788 1.820 11 H GLU 3 H GLU 3 13.056 -9.042 2.295 12 HA GLU 3 HA GLU 3 13.578 -6.690 3.762 13 HB2 GLU 3 HB2 GLU 3 14.203 -5.741 1.572 14 HB3 GLU 3 HB3 GLU 3 14.905 -7.333 1.780 15 HG2 GLU 3 HG2 GLU 3 12.537 -8.033 0.600 16 HG3 GLU 3 HG3 GLU 3 12.746 -6.438 -0.093 17 HE2 GLU 3 HE2 GLU 3 14.800 -7.413 -2.392 18 H THR 4 H THR 4 12.364 -4.798 3.963 19 HA THR 4 HA THR 4 9.647 -4.882 3.904 20 HB THR 4 HB THR 4 9.828 -2.396 4.028 21 HG1 THR 4 HG1 THR 4 12.450 -3.181 2.993 22 HG21 THR 4 HG21 THR 4 10.711 -2.667 6.116 23 HG22 THR 4 HG22 THR 4 11.428 -4.222 5.632 24 HG23 THR 4 HG23 THR 4 12.334 -2.710 5.387 25 H LEU 5 H LEU 5 8.068 -3.638 2.543 26 HA LEU 5 HA LEU 5 8.216 -4.622 -0.086 27 HB2 LEU 5 HB2 LEU 5 6.214 -3.987 1.504 28 HB3 LEU 5 HB3 LEU 5 6.351 -2.429 0.713 29 HG LEU 5 HG LEU 5 6.367 -4.249 -1.402 30 HD11 LEU 5 HD11 LEU 5 5.541 -5.823 0.580 31 HD12 LEU 5 HD12 LEU 5 3.980 -5.064 0.185 32 HD13 LEU 5 HD13 LEU 5 4.886 -5.943 -1.071 33 HD21 LEU 5 HD21 LEU 5 3.824 -3.406 -1.443 34 HD22 LEU 5 HD22 LEU 5 4.480 -2.267 -0.243 35 HD23 LEU 5 HD23 LEU 5 5.202 -2.362 -1.867 36 H ALA 6 H ALA 6 8.910 -1.446 1.431 37 HA ALA 6 HA ALA 6 9.119 0.047 -0.897 38 HB1 ALA 6 HB1 ALA 6 11.024 0.617 1.319 39 HB2 ALA 6 HB2 ALA 6 9.836 1.681 0.527 40 HB3 ALA 6 HB3 ALA 6 9.305 0.526 1.773 41 H GLU 7 H GLU 7 11.521 -2.019 0.838 42 HA GLU 7 HA GLU 7 13.681 -1.329 -0.733 43 HB2 GLU 7 HB2 GLU 7 12.963 -3.575 1.103 44 HB3 GLU 7 HB3 GLU 7 14.271 -3.900 -0.017 45 HG2 GLU 7 HG2 GLU 7 15.549 -1.991 0.784 46 HG3 GLU 7 HG3 GLU 7 14.187 -1.386 1.706 47 HE2 GLU 7 HE2 GLU 7 16.484 -3.969 1.575 48 H PHE 8 H PHE 8 11.540 -4.268 -0.963 49 HA PHE 8 HA PHE 8 12.571 -5.433 -3.151 50 HB2 PHE 8 HB2 PHE 8 10.619 -6.245 -1.830 51 HB3 PHE 8 HB3 PHE 8 9.658 -4.871 -2.340 52 HD1 PHE 8 HD1 PHE 8 11.502 -7.775 -3.789 53 HD2 PHE 8 HD2 PHE 8 8.195 -5.135 -4.112 54 HE1 PHE 8 HE1 PHE 8 10.627 -9.107 -5.728 55 HE2 PHE 8 HE2 PHE 8 7.321 -6.467 -6.051 56 HZ PHE 8 HZ PHE 8 8.547 -8.437 -6.836 57 H HIS 9 H HIS 9 10.419 -2.544 -3.071 58 HA HIS 9 HA HIS 9 10.147 -2.470 -5.893 59 HB2 HIS 9 HB2 HIS 9 9.425 -0.672 -3.602 60 HB3 HIS 9 HB3 HIS 9 9.386 -0.030 -5.232 61 HD1 HIS 9 HD1 HIS 9 7.693 -2.566 -3.000 62 HD2 HIS 9 HD2 HIS 9 7.279 -0.956 -6.851 63 HE1 HIS 9 HE1 HIS 9 5.415 -3.335 -3.855 64 H VAL 10 H VAL 10 12.312 -0.973 -3.454 65 HA VAL 10 HA VAL 10 13.491 0.932 -5.073 66 HB VAL 10 HB VAL 10 14.288 -0.627 -2.650 67 HG11 VAL 10 HG11 VAL 10 16.132 1.325 -4.070 68 HG12 VAL 10 HG12 VAL 10 16.425 0.536 -2.501 69 HG13 VAL 10 HG13 VAL 10 16.360 -0.439 -3.989 70 HG21 VAL 10 HG21 VAL 10 12.932 1.143 -2.040 71 HG22 VAL 10 HG22 VAL 10 14.545 1.882 -1.893 72 HG23 VAL 10 HG23 VAL 10 13.546 2.203 -3.332 73 H GLU 11 H GLU 11 14.573 -2.476 -4.409 74 HA GLU 11 HA GLU 11 16.723 -2.451 -6.072 75 HB2 GLU 11 HB2 GLU 11 16.010 -4.264 -4.434 76 HB3 GLU 11 HB3 GLU 11 14.866 -4.828 -5.636 77 HG2 GLU 11 HG2 GLU 11 16.603 -6.149 -6.334 78 HG3 GLU 11 HG3 GLU 11 17.133 -4.705 -7.173 79 HE2 GLU 11 HE2 GLU 11 19.670 -5.308 -6.522 80 H MET 12 H MET 12 13.345 -2.281 -6.879 81 HA MET 12 HA MET 12 13.908 -3.149 -9.594 82 HB2 MET 12 HB2 MET 12 11.563 -3.128 -7.780 83 HB3 MET 12 HB3 MET 12 11.164 -2.485 -9.361 84 HG2 MET 12 HG2 MET 12 12.272 -4.567 -10.379 85 HG3 MET 12 HG3 MET 12 12.389 -5.216 -8.756 86 HE1 MET 12 HE1 MET 12 10.450 -4.676 -7.167 87 HE2 MET 12 HE2 MET 12 9.043 -3.795 -7.807 88 HE3 MET 12 HE3 MET 12 8.925 -5.540 -7.477 89 H GLY 13 H GLY 13 14.642 -0.474 -8.169 90 HA2 GLY 13 HA2 GLY 13 14.417 1.218 -10.350 91 HA3 GLY 13 HA3 GLY 13 13.031 1.554 -9.332 92 H GLY 14 H GLY 14 13.469 1.988 -6.945 93 HA2 GLY 14 HA2 GLY 14 15.815 2.423 -5.709 94 HA3 GLY 14 HA3 GLY 14 15.695 3.831 -6.745 95 H CYS 15 H CYS 15 15.614 5.017 -4.618 96 HA CYS 15 HA CYS 15 13.303 4.658 -3.001 97 HB2 CYS 15 HB2 CYS 15 15.409 6.828 -3.061 98 HB3 CYS 15 HB3 CYS 15 14.113 6.747 -1.884 99 H GLU 16 H GLU 16 14.075 6.233 -5.994 100 HA GLU 16 HA GLU 16 12.129 8.301 -5.686 101 HB2 GLU 16 HB2 GLU 16 13.930 7.388 -7.952 102 HB3 GLU 16 HB3 GLU 16 12.680 8.585 -8.227 103 HG2 GLU 16 HG2 GLU 16 14.079 9.333 -5.820 104 HG3 GLU 16 HG3 GLU 16 15.286 8.954 -7.033 105 HE2 GLU 16 HE2 GLU 16 15.337 11.890 -7.720 106 H ASN 17 H ASN 17 11.616 5.164 -5.714 107 HA ASN 17 HA ASN 17 10.027 4.768 -7.992 108 HB2 ASN 17 HB2 ASN 17 11.114 3.114 -6.102 109 HB3 ASN 17 HB3 ASN 17 9.479 3.205 -5.476 110 HD21 ASN 17 HD21 ASN 17 7.705 2.797 -6.999 111 HD22 ASN 17 HD22 ASN 17 7.902 1.592 -8.228 112 H CYS 18 H CYS 18 9.595 6.203 -4.790 113 HA CYS 18 HA CYS 18 6.868 6.863 -5.488 114 HB2 CYS 18 HB2 CYS 18 7.306 5.787 -2.714 115 HB3 CYS 18 HB3 CYS 18 5.812 5.974 -3.611 116 H HIS 19 H HIS 19 9.584 8.161 -5.285 117 HA HIS 19 HA HIS 19 8.757 10.294 -3.515 118 HB2 HIS 19 HB2 HIS 19 11.411 8.861 -3.227 119 HB3 HIS 19 HB3 HIS 19 11.044 10.413 -2.500 120 HD1 HIS 19 HD1 HIS 19 8.179 9.857 -1.429 121 HD2 HIS 19 HD2 HIS 19 11.408 7.208 -1.036 122 HE1 HIS 19 HE1 HIS 19 7.636 8.359 0.564 123 H ALA 20 H ALA 20 9.319 12.311 -4.318 124 HA ALA 20 HA ALA 20 10.669 12.246 -6.907 125 HB1 ALA 20 HB1 ALA 20 9.280 14.643 -5.708 126 HB2 ALA 20 HB2 ALA 20 9.464 14.183 -7.418 127 HB3 ALA 20 HB3 ALA 20 8.322 13.300 -6.377 128 H ASP 21 H ASP 21 12.783 12.794 -7.029 129 HA ASP 21 HA ASP 21 14.768 13.402 -6.335 130 HB2 ASP 21 HB2 ASP 21 13.152 15.930 -5.781 131 HB3 ASP 21 HB3 ASP 21 14.903 15.902 -5.717 132 HD2 ASP 21 HD2 ASP 21 13.915 17.567 -7.976 133 H GLY 22 H GLY 22 13.376 11.958 -4.280 134 HA2 GLY 22 HA2 GLY 22 13.434 11.505 -2.080 135 HA3 GLY 22 HA3 GLY 22 14.885 12.485 -2.011 136 H GLU 23 H GLU 23 11.323 13.076 -2.503 137 HA GLU 23 HA GLU 23 11.443 14.866 -0.234 138 HB2 GLU 23 HB2 GLU 23 11.781 16.139 -2.465 139 HB3 GLU 23 HB3 GLU 23 10.110 15.749 -2.821 140 HG2 GLU 23 HG2 GLU 23 9.897 16.715 -0.233 141 HG3 GLU 23 HG3 GLU 23 11.224 17.681 -0.848 142 HE2 GLU 23 HE2 GLU 23 8.240 16.827 -2.897 143 HA PRO 24 HA PRO 24 8.071 11.649 -0.135 144 HB2 PRO 24 HB2 PRO 24 8.439 12.582 2.731 145 HB3 PRO 24 HB3 PRO 24 8.184 10.937 2.062 146 HG2 PRO 24 HG2 PRO 24 10.677 11.795 2.815 147 HG3 PRO 24 HG3 PRO 24 10.253 10.682 1.473 148 HD2 PRO 24 HD2 PRO 24 11.113 13.591 1.424 149 HD3 PRO 24 HD3 PRO 24 11.421 12.298 0.226 150 H SER 25 H SER 25 6.042 12.413 -0.722 151 HA SER 25 HA SER 25 5.293 14.991 -0.595 152 HB2 SER 25 HB2 SER 25 3.173 14.264 -1.268 153 HB3 SER 25 HB3 SER 25 4.169 12.887 -1.695 154 HG SER 25 HG SER 25 3.417 11.731 0.068 155 H LYS 26 H LYS 26 3.869 16.247 0.815 156 HA LYS 26 HA LYS 26 4.083 15.362 3.592 157 HB2 LYS 26 HB2 LYS 26 3.862 17.681 4.189 158 HB3 LYS 26 HB3 LYS 26 5.105 17.527 2.963 159 HG2 LYS 26 HG2 LYS 26 3.163 18.010 1.251 160 HG3 LYS 26 HG3 LYS 26 2.276 18.588 2.648 161 HD2 LYS 26 HD2 LYS 26 4.903 19.735 2.807 162 HD3 LYS 26 HD3 LYS 26 4.367 19.930 1.150 163 HE2 LYS 26 HE2 LYS 26 3.319 21.799 1.986 164 HE3 LYS 26 HE3 LYS 26 2.069 20.654 2.431 165 HZ1 LYS 26 HZ1 LYS 26 3.175 22.228 4.220 166 HZ2 LYS 26 HZ2 LYS 26 2.697 20.726 4.631 167 H ASP 27 H ASP 27 2.119 14.272 1.607 168 HA ASP 27 HA ASP 27 -0.225 14.974 3.166 169 HB2 ASP 27 HB2 ASP 27 -1.494 14.586 0.876 170 HB3 ASP 27 HB3 ASP 27 -0.806 16.157 1.238 171 HD2 ASP 27 HD2 ASP 27 1.764 15.742 -1.167 172 H GLY 28 H GLY 28 0.835 12.895 0.351 173 HA2 GLY 28 HA2 GLY 28 1.284 10.522 0.968 174 HA3 GLY 28 HA3 GLY 28 -0.270 10.550 1.778 175 H ALA 29 H ALA 29 -1.536 12.345 -0.275 176 HA ALA 29 HA ALA 29 -2.555 10.353 -1.944 177 HB1 ALA 29 HB1 ALA 29 -3.761 12.406 -1.304 178 HB2 ALA 29 HB2 ALA 29 -2.592 13.386 -2.222 179 HB3 ALA 29 HB3 ALA 29 -3.666 12.252 -3.075 180 H TYR 30 H TYR 30 -0.063 12.853 -2.380 181 HA TYR 30 HA TYR 30 0.429 12.612 -5.113 182 HB2 TYR 30 HB2 TYR 30 1.438 14.259 -3.528 183 HB3 TYR 30 HB3 TYR 30 2.482 12.970 -2.905 184 HD1 TYR 30 HD1 TYR 30 1.478 13.758 -6.431 185 HD2 TYR 30 HD2 TYR 30 4.651 13.552 -3.542 186 HE1 TYR 30 HE1 TYR 30 3.134 14.235 -8.215 187 HE2 TYR 30 HE2 TYR 30 6.306 14.030 -5.326 188 HH TYR 30 HH TYR 30 5.374 14.335 -8.750 189 H GLU 31 H GLU 31 1.773 10.599 -2.386 190 HA GLU 31 HA GLU 31 3.351 9.079 -4.127 191 HB2 GLU 31 HB2 GLU 31 2.825 9.240 -1.298 192 HB3 GLU 31 HB3 GLU 31 2.670 7.561 -1.776 193 HG2 GLU 31 HG2 GLU 31 4.977 7.741 -1.330 194 HG3 GLU 31 HG3 GLU 31 4.920 7.932 -3.071 195 HE2 GLU 31 HE2 GLU 31 4.992 11.202 -3.181 196 H PHE 32 H PHE 32 0.112 8.541 -2.591 197 HA PHE 32 HA PHE 32 -0.409 6.015 -3.378 198 HB2 PHE 32 HB2 PHE 32 -1.976 7.357 -2.058 199 HB3 PHE 32 HB3 PHE 32 -2.063 8.593 -3.297 200 HD1 PHE 32 HD1 PHE 32 -2.468 4.889 -3.518 201 HD2 PHE 32 HD2 PHE 32 -4.261 8.704 -4.000 202 HE1 PHE 32 HE1 PHE 32 -4.527 3.803 -4.457 203 HE2 PHE 32 HE2 PHE 32 -6.320 7.618 -4.939 204 HZ PHE 32 HZ PHE 32 -6.428 5.180 -5.157 205 H GLU 33 H GLU 33 -0.034 8.849 -5.437 206 HA GLU 33 HA GLU 33 -1.491 7.808 -7.608 207 HB2 GLU 33 HB2 GLU 33 0.024 10.208 -6.968 208 HB3 GLU 33 HB3 GLU 33 0.461 9.647 -8.570 209 HG2 GLU 33 HG2 GLU 33 -2.467 9.718 -7.824 210 HG3 GLU 33 HG3 GLU 33 -1.664 11.233 -8.186 211 HE2 GLU 33 HE2 GLU 33 -3.511 10.387 -10.299 212 H GLN 34 H GLN 34 1.967 7.786 -6.599 213 HA GLN 34 HA GLN 34 3.068 6.832 -8.895 214 HB2 GLN 34 HB2 GLN 34 3.800 6.252 -5.994 215 HB3 GLN 34 HB3 GLN 34 4.826 5.825 -7.349 216 HG2 GLN 34 HG2 GLN 34 4.031 8.594 -6.390 217 HG3 GLN 34 HG3 GLN 34 5.643 7.946 -6.621 218 HE21 GLN 34 HE21 GLN 34 4.076 10.303 -7.702 219 HE22 GLN 34 HE22 GLN 34 4.302 10.258 -9.419 220 H CYS 35 H CYS 35 1.178 5.131 -6.392 221 HA CYS 35 HA CYS 35 1.809 2.561 -7.522 222 HB2 CYS 35 HB2 CYS 35 -0.392 2.876 -5.550 223 HB3 CYS 35 HB3 CYS 35 0.835 1.632 -5.685 224 H GLN 36 H GLN 36 0.838 4.101 -9.565 225 HA GLN 36 HA GLN 36 -1.681 2.816 -10.059 226 HB2 GLN 36 HB2 GLN 36 -1.701 5.462 -9.146 227 HB3 GLN 36 HB3 GLN 36 -1.811 5.644 -10.885 228 HG2 GLN 36 HG2 GLN 36 -3.910 4.704 -10.991 229 HG3 GLN 36 HG3 GLN 36 -3.547 3.495 -9.775 230 HE21 GLN 36 HE21 GLN 36 -3.534 7.060 -9.881 231 HE22 GLN 36 HE22 GLN 36 -4.533 7.324 -8.491 232 H SER 37 H SER 37 0.367 1.838 -11.287 233 HA SER 37 HA SER 37 0.060 2.716 -13.963 234 HB2 SER 37 HB2 SER 37 1.803 4.311 -13.202 235 HB3 SER 37 HB3 SER 37 2.799 2.981 -12.645 236 HG SER 37 HG SER 37 1.919 3.155 -15.387 237 H CYS 38 H CYS 38 2.767 1.077 -12.165 238 HA CYS 38 HA CYS 38 2.788 -1.092 -13.941 239 HB2 CYS 38 HB2 CYS 38 3.937 -1.158 -11.146 240 HB3 CYS 38 HB3 CYS 38 4.494 -2.006 -12.575 241 H HIS 39 H HIS 39 0.645 -0.154 -11.441 242 HA HIS 39 HA HIS 39 -0.226 -2.934 -11.114 243 HB2 HIS 39 HB2 HIS 39 -0.385 -0.615 -9.173 244 HB3 HIS 39 HB3 HIS 39 -1.235 -2.131 -8.949 245 HD1 HIS 39 HD1 HIS 39 0.641 -4.325 -9.255 246 HD2 HIS 39 HD2 HIS 39 1.949 -0.622 -7.780 247 HE1 HIS 39 HE1 HIS 39 2.809 -4.785 -7.992 248 H GLY 40 H GLY 40 -1.924 0.080 -10.168 249 HA2 GLY 40 HA2 GLY 40 -3.434 0.789 -12.228 250 HA3 GLY 40 HA3 GLY 40 -4.187 -0.738 -11.814 251 H SER 41 H SER 41 -6.164 0.336 -11.182 252 HA SER 41 HA SER 41 -5.869 1.923 -8.757 253 HB2 SER 41 HB2 SER 41 -7.266 3.365 -9.788 254 HB3 SER 41 HB3 SER 41 -7.450 2.273 -11.147 255 HG SER 41 HG SER 41 -9.258 1.348 -10.231 256 H LEU 42 H LEU 42 -7.399 1.503 -6.973 257 HA LEU 42 HA LEU 42 -7.732 -1.214 -6.462 258 HB2 LEU 42 HB2 LEU 42 -9.157 1.102 -5.149 259 HB3 LEU 42 HB3 LEU 42 -8.909 -0.499 -4.482 260 HG LEU 42 HG LEU 42 -6.445 0.964 -5.255 261 HD11 LEU 42 HD11 LEU 42 -6.436 2.548 -3.552 262 HD12 LEU 42 HD12 LEU 42 -8.085 2.667 -4.211 263 HD13 LEU 42 HD13 LEU 42 -7.795 1.785 -2.693 264 HD21 LEU 42 HD21 LEU 42 -7.284 -1.156 -3.444 265 HD22 LEU 42 HD22 LEU 42 -5.675 -0.780 -4.107 266 HD23 LEU 42 HD23 LEU 42 -6.249 0.049 -2.640 267 H ALA 43 H ALA 43 -9.752 1.166 -8.125 268 HA ALA 43 HA ALA 43 -12.160 -0.325 -7.908 269 HB1 ALA 43 HB1 ALA 43 -11.148 2.072 -9.400 270 HB2 ALA 43 HB2 ALA 43 -12.616 1.269 -10.008 271 HB3 ALA 43 HB3 ALA 43 -12.572 1.902 -8.345 272 H GLU 44 H GLU 44 -9.243 -1.008 -9.426 273 HA GLU 44 HA GLU 44 -10.656 -2.581 -11.437 274 HB2 GLU 44 HB2 GLU 44 -8.703 -0.580 -11.877 275 HB3 GLU 44 HB3 GLU 44 -7.849 -2.093 -12.102 276 HG2 GLU 44 HG2 GLU 44 -10.561 -1.621 -13.398 277 HG3 GLU 44 HG3 GLU 44 -9.088 -1.051 -14.158 278 HE2 GLU 44 HE2 GLU 44 -11.084 -3.550 -14.146 279 H MET 45 H MET 45 -9.920 -3.201 -8.594 280 HA MET 45 HA MET 45 -8.064 -5.380 -9.176 281 HB2 MET 45 HB2 MET 45 -8.522 -3.801 -6.584 282 HB3 MET 45 HB3 MET 45 -7.498 -5.219 -6.682 283 HG2 MET 45 HG2 MET 45 -6.338 -3.864 -8.679 284 HG3 MET 45 HG3 MET 45 -7.058 -2.477 -7.885 285 HE1 MET 45 HE1 MET 45 -4.075 -1.567 -6.208 286 HE2 MET 45 HE2 MET 45 -3.596 -2.486 -7.656 287 HE3 MET 45 HE3 MET 45 -5.063 -1.478 -7.687 288 H ASP 46 H ASP 46 -8.379 -6.941 -6.902 289 HA ASP 46 HA ASP 46 -10.562 -8.414 -7.471 290 HB2 ASP 46 HB2 ASP 46 -10.181 -8.715 -4.675 291 HB3 ASP 46 HB3 ASP 46 -9.488 -9.700 -5.947 292 HD2 ASP 46 HD2 ASP 46 -7.858 -9.077 -3.517 293 H ASP 47 H ASP 47 -12.308 -8.901 -5.479 294 HA ASP 47 HA ASP 47 -13.805 -6.487 -5.347 295 HB2 ASP 47 HB2 ASP 47 -15.538 -7.918 -4.301 296 HB3 ASP 47 HB3 ASP 47 -14.914 -8.652 -5.764 297 HD2 ASP 47 HD2 ASP 47 -14.588 -8.743 -2.343 298 H ASN 48 H ASN 48 -11.182 -7.479 -3.654 299 HA ASN 48 HA ASN 48 -12.278 -6.913 -1.033 300 HB2 ASN 48 HB2 ASN 48 -9.420 -7.734 -1.759 301 HB3 ASN 48 HB3 ASN 48 -10.146 -7.775 -0.164 302 HD21 ASN 48 HD21 ASN 48 -9.099 -10.019 -0.737 303 HD22 ASN 48 HD22 ASN 48 -10.212 -11.237 -1.265 304 H HIS 49 H HIS 49 -10.372 -5.609 -3.690 305 HA HIS 49 HA HIS 49 -9.235 -3.533 -2.007 306 HB2 HIS 49 HB2 HIS 49 -8.766 -4.464 -4.832 307 HB3 HIS 49 HB3 HIS 49 -8.215 -2.883 -4.317 308 HD1 HIS 49 HD1 HIS 49 -7.708 -6.574 -3.542 309 HD2 HIS 49 HD2 HIS 49 -5.889 -2.868 -2.798 310 HE1 HIS 49 HE1 HIS 49 -5.446 -7.089 -2.479 311 H LYS 50 H LYS 50 -11.605 -4.078 -4.647 312 HA LYS 50 HA LYS 50 -12.132 -1.505 -5.377 313 HB2 LYS 50 HB2 LYS 50 -13.697 -4.043 -5.285 314 HB3 LYS 50 HB3 LYS 50 -14.592 -2.560 -5.550 315 HG2 LYS 50 HG2 LYS 50 -13.083 -1.977 -7.451 316 HG3 LYS 50 HG3 LYS 50 -12.161 -3.442 -7.178 317 HD2 LYS 50 HD2 LYS 50 -15.146 -3.406 -7.826 318 HD3 LYS 50 HD3 LYS 50 -13.889 -3.629 -9.027 319 HE2 LYS 50 HE2 LYS 50 -13.082 -5.564 -7.356 320 HE3 LYS 50 HE3 LYS 50 -14.744 -5.495 -6.807 321 HZ1 LYS 50 HZ1 LYS 50 -14.750 -7.030 -8.574 322 HZ2 LYS 50 HZ2 LYS 50 -15.327 -5.681 -9.282 323 HA PRO 51 HA PRO 51 -15.719 -1.579 -1.833 324 HB2 PRO 51 HB2 PRO 51 -13.845 -3.125 -0.004 325 HB3 PRO 51 HB3 PRO 51 -15.637 -3.079 -0.069 326 HG2 PRO 51 HG2 PRO 51 -13.991 -4.908 -1.186 327 HG3 PRO 51 HG3 PRO 51 -15.678 -4.837 -1.793 328 HD2 PRO 51 HD2 PRO 51 -13.264 -4.256 -3.248 329 HD3 PRO 51 HD3 PRO 51 -14.936 -3.897 -3.777 330 H HIS 52 H HIS 52 -12.127 -1.665 -1.152 331 HA HIS 52 HA HIS 52 -12.372 0.576 0.593 332 HB2 HIS 52 HB2 HIS 52 -10.010 -0.920 -0.563 333 HB3 HIS 52 HB3 HIS 52 -9.831 0.465 0.495 334 HD1 HIS 52 HD1 HIS 52 -9.838 -3.082 0.657 335 HD2 HIS 52 HD2 HIS 52 -11.502 -0.065 3.050 336 HE1 HIS 52 HE1 HIS 52 -10.282 -4.140 2.936 337 H ASP 53 H ASP 53 -11.084 -0.012 -2.743 338 HA ASP 53 HA ASP 53 -9.957 2.035 -3.609 339 HB2 ASP 53 HB2 ASP 53 -11.115 0.445 -5.116 340 HB3 ASP 53 HB3 ASP 53 -12.658 1.193 -4.758 341 HD2 ASP 53 HD2 ASP 53 -9.682 3.086 -6.160 342 H GLY 54 H GLY 54 -9.977 4.149 -2.798 343 HA2 GLY 54 HA2 GLY 54 -10.830 6.295 -2.776 344 HA3 GLY 54 HA3 GLY 54 -12.449 5.679 -3.044 345 H LEU 55 H LEU 55 -9.878 5.014 -0.551 346 HA LEU 55 HA LEU 55 -11.503 6.188 1.495 347 HB2 LEU 55 HB2 LEU 55 -11.468 3.262 1.049 348 HB3 LEU 55 HB3 LEU 55 -11.223 3.789 2.702 349 HG LEU 55 HG LEU 55 -13.591 4.504 0.951 350 HD11 LEU 55 HD11 LEU 55 -14.876 3.071 2.495 351 HD12 LEU 55 HD12 LEU 55 -13.640 2.167 1.587 352 HD13 LEU 55 HD13 LEU 55 -13.357 2.594 3.292 353 HD21 LEU 55 HD21 LEU 55 -13.964 4.982 3.775 354 HD22 LEU 55 HD22 LEU 55 -12.564 5.896 3.162 355 HD23 LEU 55 HD23 LEU 55 -14.159 6.090 2.396 356 H LEU 56 H LEU 56 -8.923 3.643 1.162 357 HA LEU 56 HA LEU 56 -7.137 5.512 2.549 358 HB2 LEU 56 HB2 LEU 56 -6.397 3.927 4.040 359 HB3 LEU 56 HB3 LEU 56 -8.129 3.663 4.003 360 HG LEU 56 HG LEU 56 -6.664 2.002 2.071 361 HD11 LEU 56 HD11 LEU 56 -4.981 1.341 3.364 362 HD12 LEU 56 HD12 LEU 56 -5.617 2.233 4.767 363 HD13 LEU 56 HD13 LEU 56 -6.191 0.583 4.427 364 HD21 LEU 56 HD21 LEU 56 -8.228 0.666 4.141 365 HD22 LEU 56 HD22 LEU 56 -9.123 1.980 3.341 366 HD23 LEU 56 HD23 LEU 56 -8.419 0.663 2.372 367 H MET 57 H MET 57 -4.864 5.263 2.009 368 HA MET 57 HA MET 57 -4.576 4.580 -0.724 369 HB2 MET 57 HB2 MET 57 -2.747 5.598 1.496 370 HB3 MET 57 HB3 MET 57 -2.066 5.146 -0.054 371 HG2 MET 57 HG2 MET 57 -2.524 7.530 -0.135 372 HG3 MET 57 HG3 MET 57 -3.693 6.742 -1.176 373 HE1 MET 57 HE1 MET 57 -4.202 9.845 0.425 374 HE2 MET 57 HE2 MET 57 -4.438 9.509 2.157 375 HE3 MET 57 HE3 MET 57 -2.921 9.034 1.357 376 H CYS 58 H CYS 58 -2.438 3.287 -1.365 377 HA CYS 58 HA CYS 58 -2.867 0.655 -0.605 378 HB2 CYS 58 HB2 CYS 58 -0.281 1.683 -1.762 379 HB3 CYS 58 HB3 CYS 58 -1.003 0.098 -1.950 380 H ALA 59 H ALA 59 0.116 2.669 -0.017 381 HA ALA 59 HA ALA 59 1.399 1.136 1.753 382 HB1 ALA 59 HB1 ALA 59 1.556 3.766 2.811 383 HB2 ALA 59 HB2 ALA 59 2.663 2.990 1.651 384 HB3 ALA 59 HB3 ALA 59 1.280 3.944 1.061 385 H ASP 60 H ASP 60 -1.229 3.495 2.611 386 HA ASP 60 HA ASP 60 -1.346 3.336 5.207 387 HB2 ASP 60 HB2 ASP 60 -3.736 2.867 3.362 388 HB3 ASP 60 HB3 ASP 60 -3.865 3.371 5.036 389 HD2 ASP 60 HD2 ASP 60 -4.562 6.036 4.235 390 H CYS 61 H CYS 61 -2.076 0.689 2.920 391 HA CYS 61 HA CYS 61 -2.789 -1.033 5.173 392 HB2 CYS 61 HB2 CYS 61 -3.774 -0.812 2.436 393 HB3 CYS 61 HB3 CYS 61 -3.264 -2.448 2.803 394 H HIS 62 H HIS 62 -0.944 -0.966 2.031 395 HA HIS 62 HA HIS 62 0.670 -3.171 2.937 396 HB2 HIS 62 HB2 HIS 62 0.693 -1.538 0.384 397 HB3 HIS 62 HB3 HIS 62 1.751 -2.899 0.695 398 HD1 HIS 62 HD1 HIS 62 0.155 -5.168 1.545 399 HD2 HIS 62 HD2 HIS 62 -1.457 -2.322 -1.081 400 HE1 HIS 62 HE1 HIS 62 -1.787 -6.316 0.352 401 H ALA 63 H ALA 63 1.084 -1.403 4.853 402 HA ALA 63 HA ALA 63 2.705 0.723 4.610 403 HB1 ALA 63 HB1 ALA 63 2.339 -1.443 6.636 404 HB2 ALA 63 HB2 ALA 63 3.761 -0.391 6.830 405 HB3 ALA 63 HB3 ALA 63 2.129 0.317 6.793 406 HA PRO 64 HA PRO 64 6.027 -1.207 2.247 407 HB2 PRO 64 HB2 PRO 64 6.787 1.679 1.983 408 HB3 PRO 64 HB3 PRO 64 6.445 0.442 0.729 409 HG2 PRO 64 HG2 PRO 64 4.473 2.394 1.116 410 HG3 PRO 64 HG3 PRO 64 4.255 0.653 0.744 411 HD2 PRO 64 HD2 PRO 64 4.298 2.068 3.476 412 HD3 PRO 64 HD3 PRO 64 3.015 1.020 2.798 413 H HIS 65 H HIS 65 6.605 1.795 4.280 414 HA HIS 65 HA HIS 65 9.163 0.751 5.017 415 HB2 HIS 65 HB2 HIS 65 7.619 3.230 5.811 416 HB3 HIS 65 HB3 HIS 65 9.199 2.839 6.460 417 HD1 HIS 65 HD1 HIS 65 10.903 2.100 4.149 418 HD2 HIS 65 HD2 HIS 65 7.951 5.063 3.832 419 HE1 HIS 65 HE1 HIS 65 11.564 3.559 2.163 420 H GLU 66 H GLU 66 7.742 -1.294 5.760 421 HA GLU 66 HA GLU 66 8.134 -1.546 8.433 422 HB2 GLU 66 HB2 GLU 66 5.890 0.064 8.091 423 HB3 GLU 66 HB3 GLU 66 5.177 -1.524 8.296 424 HG2 GLU 66 HG2 GLU 66 7.393 -0.880 10.194 425 HG3 GLU 66 HG3 GLU 66 5.952 0.100 10.377 426 HE2 GLU 66 HE2 GLU 66 4.333 -1.120 11.769 427 H ALA 67 H ALA 67 5.492 -2.368 6.063 428 HA ALA 67 HA ALA 67 5.372 -5.066 6.837 429 HB1 ALA 67 HB1 ALA 67 3.895 -5.297 4.967 430 HB2 ALA 67 HB2 ALA 67 3.627 -3.661 5.616 431 HB3 ALA 67 HB3 ALA 67 4.604 -3.886 4.145 432 H LYS 68 H LYS 68 5.845 -6.915 5.221 433 HA LYS 68 HA LYS 68 8.325 -6.359 3.767 434 HB2 LYS 68 HB2 LYS 68 8.869 -8.825 4.683 435 HB3 LYS 68 HB3 LYS 68 9.390 -7.359 5.489 436 HG2 LYS 68 HG2 LYS 68 7.388 -7.424 6.960 437 HG3 LYS 68 HG3 LYS 68 6.795 -8.844 6.122 438 HD2 LYS 68 HD2 LYS 68 9.191 -9.844 6.768 439 HD3 LYS 68 HD3 LYS 68 9.154 -8.595 7.997 440 HE2 LYS 68 HE2 LYS 68 6.668 -10.257 7.709 441 HE3 LYS 68 HE3 LYS 68 8.075 -11.068 8.366 442 HZ1 LYS 68 HZ1 LYS 68 6.979 -10.100 10.205 443 HZ2 LYS 68 HZ2 LYS 68 8.225 -9.085 9.942 444 H VAL 69 H VAL 69 8.463 -7.334 1.769 445 HA VAL 69 HA VAL 69 6.319 -8.009 0.354 446 HB VAL 69 HB VAL 69 9.176 -8.869 0.259 447 HG11 VAL 69 HG11 VAL 69 8.625 -9.932 -2.015 448 HG12 VAL 69 HG12 VAL 69 8.256 -10.879 -0.554 449 HG13 VAL 69 HG13 VAL 69 6.950 -10.036 -1.421 450 HG21 VAL 69 HG21 VAL 69 8.828 -7.731 -2.067 451 HG22 VAL 69 HG22 VAL 69 7.329 -7.107 -1.337 452 HG23 VAL 69 HG23 VAL 69 8.903 -6.727 -0.599 453 H GLY 70 H GLY 70 4.819 -9.622 0.207 454 HA2 GLY 70 HA2 GLY 70 3.948 -11.723 0.409 455 HA3 GLY 70 HA3 GLY 70 5.415 -12.276 1.192 456 H GLU 71 H GLU 71 3.442 -9.407 2.132 457 HA GLU 71 HA GLU 71 2.989 -10.770 4.667 458 HB2 GLU 71 HB2 GLU 71 3.958 -8.129 4.010 459 HB3 GLU 71 HB3 GLU 71 2.444 -7.958 4.877 460 HG2 GLU 71 HG2 GLU 71 4.494 -9.917 5.926 461 HG3 GLU 71 HG3 GLU 71 4.762 -8.205 6.189 462 HE2 GLU 71 HE2 GLU 71 2.696 -10.821 6.938 463 H LYS 72 H LYS 72 0.881 -10.825 5.575 464 HA LYS 72 HA LYS 72 -1.219 -9.960 3.712 465 HB2 LYS 72 HB2 LYS 72 -1.005 -12.379 5.506 466 HB3 LYS 72 HB3 LYS 72 -2.553 -11.808 4.918 467 HG2 LYS 72 HG2 LYS 72 -1.131 -11.782 2.575 468 HG3 LYS 72 HG3 LYS 72 -0.301 -13.079 3.411 469 HD2 LYS 72 HD2 LYS 72 -3.008 -13.630 3.909 470 HD3 LYS 72 HD3 LYS 72 -3.020 -13.030 2.263 471 HE2 LYS 72 HE2 LYS 72 -0.816 -14.715 2.213 472 HE3 LYS 72 HE3 LYS 72 -1.860 -15.546 3.349 473 HZ1 LYS 72 HZ1 LYS 72 -3.370 -15.997 1.719 474 HZ2 LYS 72 HZ2 LYS 72 -3.176 -14.579 0.942 475 HA PRO 73 HA PRO 73 -1.422 -6.790 6.964 476 HB2 PRO 73 HB2 PRO 73 -3.776 -6.350 5.067 477 HB3 PRO 73 HB3 PRO 73 -2.738 -5.161 5.918 478 HG2 PRO 73 HG2 PRO 73 -2.205 -5.867 3.325 479 HG3 PRO 73 HG3 PRO 73 -0.848 -5.564 4.458 480 HD2 PRO 73 HD2 PRO 73 -1.939 -8.149 3.353 481 HD3 PRO 73 HD3 PRO 73 -0.297 -7.779 3.962 482 H THR 74 H THR 74 -2.976 -6.459 8.725 483 HA THR 74 HA THR 74 -4.946 -8.645 8.863 484 HB THR 74 HB THR 74 -4.604 -8.310 11.379 485 HG1 THR 74 HG1 THR 74 -3.654 -6.061 10.714 486 HG21 THR 74 HG21 THR 74 -2.486 -9.458 11.504 487 HG22 THR 74 HG22 THR 74 -3.213 -9.998 9.971 488 HG23 THR 74 HG23 THR 74 -1.936 -8.757 9.963 489 H CYS 75 H CYS 75 -7.059 -8.183 8.978 490 HA CYS 75 HA CYS 75 -7.865 -5.509 8.645 491 HB2 CYS 75 HB2 CYS 75 -9.772 -7.652 9.497 492 HB3 CYS 75 HB3 CYS 75 -10.010 -6.324 8.378 493 H ASP 76 H ASP 76 -7.785 -7.861 11.379 494 HA ASP 76 HA ASP 76 -9.284 -6.695 13.219 495 HB2 ASP 76 HB2 ASP 76 -6.473 -7.837 13.531 496 HB3 ASP 76 HB3 ASP 76 -7.477 -7.433 14.909 497 HD2 ASP 76 HD2 ASP 76 -7.926 -10.043 12.167 498 H THR 77 H THR 77 -6.280 -5.474 11.798 499 HA THR 77 HA THR 77 -5.538 -3.661 13.817 500 HB THR 77 HB THR 77 -5.077 -3.680 10.787 501 HG1 THR 77 HG1 THR 77 -4.455 -5.500 12.444 502 HG21 THR 77 HG21 THR 77 -3.900 -2.084 13.081 503 HG22 THR 77 HG22 THR 77 -2.831 -2.607 11.758 504 HG23 THR 77 HG23 THR 77 -4.232 -1.564 11.412 505 H CYS 78 H CYS 78 -7.750 -3.379 10.993 506 HA CYS 78 HA CYS 78 -8.435 -0.716 11.991 507 HB2 CYS 78 HB2 CYS 78 -8.444 -1.945 9.258 508 HB3 CYS 78 HB3 CYS 78 -9.641 -0.716 9.616 509 H HIS 79 H HIS 79 -9.825 -3.770 10.579 510 HA HIS 79 HA HIS 79 -12.382 -3.088 11.766 511 HB2 HIS 79 HB2 HIS 79 -11.643 -5.421 9.980 512 HB3 HIS 79 HB3 HIS 79 -13.261 -4.930 10.441 513 HD1 HIS 79 HD1 HIS 79 -13.533 -2.071 9.799 514 HD2 HIS 79 HD2 HIS 79 -11.165 -4.601 7.434 515 HE1 HIS 79 HE1 HIS 79 -13.322 -0.933 7.524 516 H ASP 80 H ASP 80 -12.127 -3.401 13.991 517 HA ASP 80 HA ASP 80 -10.945 -5.872 14.849 518 HB2 ASP 80 HB2 ASP 80 -12.267 -3.683 16.515 519 HB3 ASP 80 HB3 ASP 80 -11.210 -4.946 17.115 520 HD2 ASP 80 HD2 ASP 80 -9.488 -3.490 17.825 521 H ASP 81 H ASP 81 -13.398 -6.100 13.295 522 HA ASP 81 HA ASP 81 -15.307 -6.810 15.379 523 HB2 ASP 81 HB2 ASP 81 -17.002 -6.751 13.495 524 HB3 ASP 81 HB3 ASP 81 -16.276 -5.199 13.861 525 HD2 ASP 81 HD2 ASP 81 -15.435 -4.205 11.562 526 H GLY 82 H GLY 82 -12.873 -8.311 14.213 527 HA2 GLY 82 HA2 GLY 82 -12.586 -10.601 14.074 528 HA3 GLY 82 HA3 GLY 82 -14.275 -10.810 13.655 529 H ARG 83 H ARG 83 -13.754 -8.337 11.697 530 HA ARG 83 HA ARG 83 -13.868 -9.532 9.390 531 HB2 ARG 83 HB2 ARG 83 -13.095 -6.937 10.286 532 HB3 ARG 83 HB3 ARG 83 -11.884 -7.396 9.105 533 HG2 ARG 83 HG2 ARG 83 -13.884 -6.213 8.106 534 HG3 ARG 83 HG3 ARG 83 -13.566 -7.784 7.396 535 HD2 ARG 83 HD2 ARG 83 -15.643 -8.495 7.972 536 HD3 ARG 83 HD3 ARG 83 -15.302 -8.195 9.665 537 HE ARG 83 HE ARG 83 -16.373 -6.084 9.513 538 H THR 84 H THR 84 -12.629 -10.865 8.071 539 HA THR 84 HA THR 84 -9.741 -10.965 8.594 540 HB THR 84 HB THR 84 -10.046 -13.528 8.294 541 HG1 THR 84 HG1 THR 84 -12.342 -13.031 7.518 542 HG21 THR 84 HG21 THR 84 -10.518 -11.867 10.645 543 HG22 THR 84 HG22 THR 84 -11.591 -13.286 10.689 544 HG23 THR 84 HG23 THR 84 -9.829 -13.507 10.569 545 H ALA 85 H ALA 85 -8.469 -11.835 6.799 546 HA ALA 85 HA ALA 85 -9.291 -10.696 4.375 547 HB1 ALA 85 HB1 ALA 85 -7.020 -10.802 4.407 548 HB2 ALA 85 HB2 ALA 85 -7.002 -12.242 5.452 549 HB3 ALA 85 HB3 ALA 85 -7.266 -12.417 3.700 550 H LYS 86 H LYS 86 -9.834 -11.723 2.344 551 HA LYS 86 HA LYS 86 -10.908 -14.434 2.694 552 HB2 LYS 86 HB2 LYS 86 -12.361 -12.030 2.208 553 HB3 LYS 86 HB3 LYS 86 -12.414 -12.978 0.735 554 HG2 LYS 86 HG2 LYS 86 -14.187 -13.974 1.839 555 HG3 LYS 86 HG3 LYS 86 -12.899 -14.987 2.462 556 HD2 LYS 86 HD2 LYS 86 -12.770 -13.712 4.525 557 HD3 LYS 86 HD3 LYS 86 -13.794 -12.443 3.884 558 HE2 LYS 86 HE2 LYS 86 -15.491 -14.547 3.562 559 HE3 LYS 86 HE3 LYS 86 -14.553 -15.165 4.907 560 HZ1 LYS 86 HZ1 LYS 86 -15.271 -13.454 6.276 561 HZ2 LYS 86 HZ2 LYS 86 -15.556 -12.406 5.063 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 16.326 -7.422 7.217 2 HA ALA 1 HA ALA 1 17.304 -10.023 7.794 3 HB1 ALA 1 HB1 ALA 1 16.644 -9.330 10.081 4 HB2 ALA 1 HB2 ALA 1 15.005 -8.966 9.491 5 HB3 ALA 1 HB3 ALA 1 15.608 -10.641 9.467 6 H ASP 2 H ASP 2 14.388 -7.935 7.275 7 HA ASP 2 HA ASP 2 13.562 -9.904 5.291 8 HB2 ASP 2 HB2 ASP 2 11.983 -7.934 6.994 9 HB3 ASP 2 HB3 ASP 2 11.276 -8.689 5.580 10 HD2 ASP 2 HD2 ASP 2 10.055 -10.986 7.668 11 H GLU 3 H GLU 3 12.714 -9.003 3.228 12 HA GLU 3 HA GLU 3 13.953 -6.464 2.647 13 HB2 GLU 3 HB2 GLU 3 13.378 -7.106 0.248 14 HB3 GLU 3 HB3 GLU 3 14.488 -8.185 1.069 15 HG2 GLU 3 HG2 GLU 3 11.574 -8.839 1.344 16 HG3 GLU 3 HG3 GLU 3 12.259 -9.046 -0.255 17 HE2 GLU 3 HE2 GLU 3 11.538 -11.248 1.610 18 H THR 4 H THR 4 12.458 -5.045 3.751 19 HA THR 4 HA THR 4 9.771 -5.025 3.718 20 HB THR 4 HB THR 4 10.036 -2.509 3.859 21 HG1 THR 4 HG1 THR 4 12.838 -3.201 3.403 22 HG21 THR 4 HG21 THR 4 11.578 -4.474 5.440 23 HG22 THR 4 HG22 THR 4 12.362 -2.876 5.396 24 HG23 THR 4 HG23 THR 4 10.693 -3.033 5.995 25 H LEU 5 H LEU 5 8.123 -3.856 2.470 26 HA LEU 5 HA LEU 5 8.177 -4.665 -0.197 27 HB2 LEU 5 HB2 LEU 5 6.256 -4.020 1.512 28 HB3 LEU 5 HB3 LEU 5 6.382 -2.465 0.714 29 HG LEU 5 HG LEU 5 6.266 -4.187 -1.431 30 HD11 LEU 5 HD11 LEU 5 5.658 -5.888 0.563 31 HD12 LEU 5 HD12 LEU 5 4.036 -5.242 0.217 32 HD13 LEU 5 HD13 LEU 5 4.982 -6.013 -1.079 33 HD21 LEU 5 HD21 LEU 5 5.061 -2.030 -1.049 34 HD22 LEU 5 HD22 LEU 5 4.074 -3.303 -1.809 35 HD23 LEU 5 HD23 LEU 5 3.866 -2.927 -0.081 36 H ALA 6 H ALA 6 8.892 -1.515 1.393 37 HA ALA 6 HA ALA 6 9.118 -0.019 -0.948 38 HB1 ALA 6 HB1 ALA 6 9.927 1.646 0.459 39 HB2 ALA 6 HB2 ALA 6 9.071 0.605 1.621 40 HB3 ALA 6 HB3 ALA 6 10.841 0.499 1.467 41 H GLU 7 H GLU 7 11.517 -1.977 0.916 42 HA GLU 7 HA GLU 7 13.707 -1.253 -0.595 43 HB2 GLU 7 HB2 GLU 7 13.736 -2.462 1.615 44 HB3 GLU 7 HB3 GLU 7 13.205 -3.920 0.799 45 HG2 GLU 7 HG2 GLU 7 15.587 -4.114 0.947 46 HG3 GLU 7 HG3 GLU 7 15.263 -3.691 -0.723 47 HE2 GLU 7 HE2 GLU 7 15.836 -1.087 -1.135 48 H PHE 8 H PHE 8 11.423 -4.050 -0.931 49 HA PHE 8 HA PHE 8 12.643 -5.317 -3.029 50 HB2 PHE 8 HB2 PHE 8 10.669 -6.149 -1.753 51 HB3 PHE 8 HB3 PHE 8 9.698 -4.801 -2.309 52 HD1 PHE 8 HD1 PHE 8 11.604 -7.721 -3.628 53 HD2 PHE 8 HD2 PHE 8 8.325 -5.081 -4.156 54 HE1 PHE 8 HE1 PHE 8 10.811 -9.095 -5.573 55 HE2 PHE 8 HE2 PHE 8 7.531 -6.455 -6.101 56 HZ PHE 8 HZ PHE 8 8.784 -8.446 -6.786 57 H HIS 9 H HIS 9 10.453 -2.459 -3.046 58 HA HIS 9 HA HIS 9 10.248 -2.429 -5.875 59 HB2 HIS 9 HB2 HIS 9 9.446 -0.610 -3.628 60 HB3 HIS 9 HB3 HIS 9 9.441 0.011 -5.267 61 HD1 HIS 9 HD1 HIS 9 7.729 -2.533 -3.053 62 HD2 HIS 9 HD2 HIS 9 7.380 -0.947 -6.920 63 HE1 HIS 9 HE1 HIS 9 5.482 -3.337 -3.955 64 H VAL 10 H VAL 10 12.400 -0.985 -3.418 65 HA VAL 10 HA VAL 10 13.576 0.962 -5.009 66 HB VAL 10 HB VAL 10 14.364 -0.615 -2.592 67 HG11 VAL 10 HG11 VAL 10 16.377 1.133 -2.592 68 HG12 VAL 10 HG12 VAL 10 16.524 -0.475 -3.341 69 HG13 VAL 10 HG13 VAL 10 16.202 0.953 -4.354 70 HG21 VAL 10 HG21 VAL 10 13.850 2.319 -3.172 71 HG22 VAL 10 HG22 VAL 10 12.833 1.201 -2.231 72 HG23 VAL 10 HG23 VAL 10 14.425 1.696 -1.607 73 H GLU 11 H GLU 11 14.685 -2.435 -4.333 74 HA GLU 11 HA GLU 11 16.843 -2.394 -5.983 75 HB2 GLU 11 HB2 GLU 11 16.076 -4.214 -4.342 76 HB3 GLU 11 HB3 GLU 11 15.023 -4.806 -5.611 77 HG2 GLU 11 HG2 GLU 11 16.806 -6.042 -6.305 78 HG3 GLU 11 HG3 GLU 11 17.441 -4.546 -6.959 79 HE2 GLU 11 HE2 GLU 11 19.588 -4.720 -6.384 80 H MET 12 H MET 12 13.469 -2.260 -6.816 81 HA MET 12 HA MET 12 14.077 -3.095 -9.534 82 HB2 MET 12 HB2 MET 12 11.734 -3.213 -7.737 83 HB3 MET 12 HB3 MET 12 11.304 -2.513 -9.284 84 HG2 MET 12 HG2 MET 12 11.409 -4.539 -10.314 85 HG3 MET 12 HG3 MET 12 13.030 -4.826 -9.711 86 HE1 MET 12 HE1 MET 12 9.077 -5.460 -7.686 87 HE2 MET 12 HE2 MET 12 10.140 -4.540 -6.595 88 HE3 MET 12 HE3 MET 12 9.812 -3.935 -8.237 89 H GLY 13 H GLY 13 14.745 -0.426 -8.108 90 HA2 GLY 13 HA2 GLY 13 14.441 1.284 -10.265 91 HA3 GLY 13 HA3 GLY 13 13.062 1.572 -9.222 92 H GLY 14 H GLY 14 13.504 2.042 -6.859 93 HA2 GLY 14 HA2 GLY 14 15.847 2.504 -5.627 94 HA3 GLY 14 HA3 GLY 14 15.713 3.906 -6.670 95 H CYS 15 H CYS 15 15.657 5.015 -4.459 96 HA CYS 15 HA CYS 15 13.330 4.669 -2.881 97 HB2 CYS 15 HB2 CYS 15 15.432 6.843 -2.916 98 HB3 CYS 15 HB3 CYS 15 14.134 6.746 -1.742 99 H GLU 16 H GLU 16 14.164 6.350 -5.825 100 HA GLU 16 HA GLU 16 12.180 8.372 -5.509 101 HB2 GLU 16 HB2 GLU 16 14.135 7.565 -7.657 102 HB3 GLU 16 HB3 GLU 16 12.785 8.587 -8.106 103 HG2 GLU 16 HG2 GLU 16 13.706 9.776 -5.742 104 HG3 GLU 16 HG3 GLU 16 15.187 9.244 -6.512 105 HE2 GLU 16 HE2 GLU 16 12.466 11.594 -8.050 106 H ASN 17 H ASN 17 11.738 5.208 -5.666 107 HA ASN 17 HA ASN 17 10.188 4.852 -7.964 108 HB2 ASN 17 HB2 ASN 17 11.261 3.096 -6.303 109 HB3 ASN 17 HB3 ASN 17 9.792 3.303 -5.370 110 HD21 ASN 17 HD21 ASN 17 7.739 3.311 -6.811 111 HD22 ASN 17 HD22 ASN 17 7.599 2.003 -7.937 112 H CYS 18 H CYS 18 9.653 6.193 -4.729 113 HA CYS 18 HA CYS 18 6.945 6.863 -5.497 114 HB2 CYS 18 HB2 CYS 18 7.277 5.764 -2.726 115 HB3 CYS 18 HB3 CYS 18 5.833 5.896 -3.710 116 H HIS 19 H HIS 19 9.647 8.171 -5.185 117 HA HIS 19 HA HIS 19 8.757 10.252 -3.380 118 HB2 HIS 19 HB2 HIS 19 11.421 8.838 -3.088 119 HB3 HIS 19 HB3 HIS 19 11.032 10.370 -2.332 120 HD1 HIS 19 HD1 HIS 19 8.124 9.722 -1.362 121 HD2 HIS 19 HD2 HIS 19 11.431 7.185 -0.887 122 HE1 HIS 19 HE1 HIS 19 7.573 8.188 0.601 123 H ALA 20 H ALA 20 9.309 12.298 -4.114 124 HA ALA 20 HA ALA 20 10.722 12.320 -6.674 125 HB1 ALA 20 HB1 ALA 20 9.521 14.839 -5.859 126 HB2 ALA 20 HB2 ALA 20 9.163 13.824 -7.277 127 HB3 ALA 20 HB3 ALA 20 8.344 13.510 -5.728 128 H ASP 21 H ASP 21 12.791 13.034 -6.780 129 HA ASP 21 HA ASP 21 14.740 13.695 -6.034 130 HB2 ASP 21 HB2 ASP 21 13.104 15.876 -6.476 131 HB3 ASP 21 HB3 ASP 21 13.646 16.205 -4.842 132 HD2 ASP 21 HD2 ASP 21 16.131 15.730 -4.760 133 H GLY 22 H GLY 22 13.372 12.066 -4.079 134 HA2 GLY 22 HA2 GLY 22 13.436 11.479 -1.912 135 HA3 GLY 22 HA3 GLY 22 14.861 12.491 -1.777 136 H GLU 23 H GLU 23 11.288 13.030 -2.257 137 HA GLU 23 HA GLU 23 11.312 14.607 0.156 138 HB2 GLU 23 HB2 GLU 23 11.655 15.958 -2.187 139 HB3 GLU 23 HB3 GLU 23 9.905 15.898 -2.147 140 HG2 GLU 23 HG2 GLU 23 11.459 16.749 0.319 141 HG3 GLU 23 HG3 GLU 23 11.150 17.899 -0.967 142 HE2 GLU 23 HE2 GLU 23 8.909 16.007 1.412 143 HA PRO 24 HA PRO 24 7.913 11.489 -0.090 144 HB2 PRO 24 HB2 PRO 24 7.977 12.416 2.800 145 HB3 PRO 24 HB3 PRO 24 7.810 10.771 2.104 146 HG2 PRO 24 HG2 PRO 24 10.206 11.657 3.119 147 HG3 PRO 24 HG3 PRO 24 9.907 10.540 1.748 148 HD2 PRO 24 HD2 PRO 24 10.774 13.449 1.769 149 HD3 PRO 24 HD3 PRO 24 11.203 12.148 0.618 150 H SER 25 H SER 25 5.879 12.164 -0.766 151 HA SER 25 HA SER 25 5.121 14.754 -0.793 152 HB2 SER 25 HB2 SER 25 3.173 13.972 -1.733 153 HB3 SER 25 HB3 SER 25 4.085 12.477 -1.794 154 HG SER 25 HG SER 25 2.456 11.675 -0.656 155 H LYS 26 H LYS 26 3.768 16.109 0.520 156 HA LYS 26 HA LYS 26 3.635 15.211 3.299 157 HB2 LYS 26 HB2 LYS 26 3.585 17.538 3.896 158 HB3 LYS 26 HB3 LYS 26 4.917 17.269 2.790 159 HG2 LYS 26 HG2 LYS 26 4.075 18.860 1.416 160 HG3 LYS 26 HG3 LYS 26 2.660 17.862 1.148 161 HD2 LYS 26 HD2 LYS 26 1.557 19.658 2.069 162 HD3 LYS 26 HD3 LYS 26 1.992 18.885 3.580 163 HE2 LYS 26 HE2 LYS 26 3.934 20.821 2.286 164 HE3 LYS 26 HE3 LYS 26 2.568 21.446 3.188 165 HZ1 LYS 26 HZ1 LYS 26 3.410 19.769 4.988 166 HZ2 LYS 26 HZ2 LYS 26 4.829 19.858 4.193 167 H ASP 27 H ASP 27 1.784 14.176 1.293 168 HA ASP 27 HA ASP 27 -0.624 15.184 2.543 169 HB2 ASP 27 HB2 ASP 27 -1.705 14.823 0.159 170 HB3 ASP 27 HB3 ASP 27 -0.899 16.335 0.527 171 HD2 ASP 27 HD2 ASP 27 -1.259 14.240 -1.726 172 H GLY 28 H GLY 28 0.512 12.903 -0.078 173 HA2 GLY 28 HA2 GLY 28 0.678 10.528 0.646 174 HA3 GLY 28 HA3 GLY 28 -0.931 10.725 1.313 175 H ALA 29 H ALA 29 -1.882 12.522 -0.883 176 HA ALA 29 HA ALA 29 -2.880 10.542 -2.590 177 HB1 ALA 29 HB1 ALA 29 -4.310 12.239 -2.928 178 HB2 ALA 29 HB2 ALA 29 -3.217 13.351 -2.069 179 HB3 ALA 29 HB3 ALA 29 -3.046 13.114 -3.825 180 H TYR 30 H TYR 30 -0.376 13.062 -3.008 181 HA TYR 30 HA TYR 30 0.337 12.631 -5.652 182 HB2 TYR 30 HB2 TYR 30 1.249 14.411 -4.247 183 HB3 TYR 30 HB3 TYR 30 2.117 13.220 -3.263 184 HD1 TYR 30 HD1 TYR 30 1.745 13.928 -6.944 185 HD2 TYR 30 HD2 TYR 30 4.391 13.180 -3.643 186 HE1 TYR 30 HE1 TYR 30 3.694 14.086 -8.470 187 HE2 TYR 30 HE2 TYR 30 6.339 13.338 -5.169 188 HH TYR 30 HH TYR 30 6.648 12.965 -7.900 189 H GLU 31 H GLU 31 1.512 10.813 -2.715 190 HA GLU 31 HA GLU 31 3.202 9.196 -4.253 191 HB2 GLU 31 HB2 GLU 31 2.080 9.057 -1.445 192 HB3 GLU 31 HB3 GLU 31 2.980 7.697 -2.087 193 HG2 GLU 31 HG2 GLU 31 4.991 8.890 -2.203 194 HG3 GLU 31 HG3 GLU 31 4.192 10.435 -2.418 195 HE2 GLU 31 HE2 GLU 31 2.585 9.561 0.423 196 H PHE 32 H PHE 32 -0.108 8.708 -2.852 197 HA PHE 32 HA PHE 32 -0.567 6.137 -3.503 198 HB2 PHE 32 HB2 PHE 32 -2.217 7.545 -2.368 199 HB3 PHE 32 HB3 PHE 32 -2.243 8.695 -3.691 200 HD1 PHE 32 HD1 PHE 32 -2.618 4.979 -3.656 201 HD2 PHE 32 HD2 PHE 32 -4.385 8.732 -4.550 202 HE1 PHE 32 HE1 PHE 32 -4.610 3.808 -4.634 203 HE2 PHE 32 HE2 PHE 32 -6.378 7.561 -5.529 204 HZ PHE 32 HZ PHE 32 -6.467 5.112 -5.559 205 H GLU 33 H GLU 33 -0.240 8.885 -5.725 206 HA GLU 33 HA GLU 33 -1.510 7.653 -7.894 207 HB2 GLU 33 HB2 GLU 33 -0.078 10.124 -7.337 208 HB3 GLU 33 HB3 GLU 33 0.449 9.473 -8.877 209 HG2 GLU 33 HG2 GLU 33 -2.251 9.096 -9.124 210 HG3 GLU 33 HG3 GLU 33 -2.249 10.493 -8.066 211 HE2 GLU 33 HE2 GLU 33 -1.790 12.382 -8.987 212 H GLN 34 H GLN 34 1.889 7.773 -6.712 213 HA GLN 34 HA GLN 34 3.159 6.736 -8.862 214 HB2 GLN 34 HB2 GLN 34 3.657 6.258 -5.895 215 HB3 GLN 34 HB3 GLN 34 4.785 5.766 -7.143 216 HG2 GLN 34 HG2 GLN 34 3.926 8.585 -6.397 217 HG3 GLN 34 HG3 GLN 34 5.547 7.918 -6.417 218 HE21 GLN 34 HE21 GLN 34 4.156 10.226 -7.781 219 HE22 GLN 34 HE22 GLN 34 4.555 10.084 -9.460 220 H CYS 35 H CYS 35 1.156 5.060 -6.411 221 HA CYS 35 HA CYS 35 1.840 2.488 -7.521 222 HB2 CYS 35 HB2 CYS 35 -0.363 2.797 -5.545 223 HB3 CYS 35 HB3 CYS 35 0.856 1.547 -5.690 224 H GLN 36 H GLN 36 0.826 4.097 -9.531 225 HA GLN 36 HA GLN 36 -1.661 2.751 -10.053 226 HB2 GLN 36 HB2 GLN 36 -1.661 5.444 -9.160 227 HB3 GLN 36 HB3 GLN 36 -1.929 5.535 -10.889 228 HG2 GLN 36 HG2 GLN 36 -3.981 4.475 -10.774 229 HG3 GLN 36 HG3 GLN 36 -3.482 3.407 -9.478 230 HE21 GLN 36 HE21 GLN 36 -3.769 6.922 -10.014 231 HE22 GLN 36 HE22 GLN 36 -4.625 7.296 -8.555 232 H SER 37 H SER 37 0.242 1.747 -11.364 233 HA SER 37 HA SER 37 -0.041 2.670 -13.997 234 HB2 SER 37 HB2 SER 37 2.419 3.441 -12.479 235 HB3 SER 37 HB3 SER 37 2.686 2.801 -14.088 236 HG SER 37 HG SER 37 1.900 4.599 -14.962 237 H CYS 38 H CYS 38 2.701 1.097 -12.188 238 HA CYS 38 HA CYS 38 2.780 -1.062 -13.991 239 HB2 CYS 38 HB2 CYS 38 3.978 -1.140 -11.224 240 HB3 CYS 38 HB3 CYS 38 4.559 -1.893 -12.695 241 H HIS 39 H HIS 39 0.619 -0.188 -11.504 242 HA HIS 39 HA HIS 39 -0.142 -2.995 -11.138 243 HB2 HIS 39 HB2 HIS 39 -0.316 -0.674 -9.203 244 HB3 HIS 39 HB3 HIS 39 -1.167 -2.187 -8.966 245 HD1 HIS 39 HD1 HIS 39 0.657 -4.397 -9.205 246 HD2 HIS 39 HD2 HIS 39 2.074 -0.668 -7.904 247 HE1 HIS 39 HE1 HIS 39 2.847 -4.852 -7.978 248 H GLY 40 H GLY 40 -1.930 -0.039 -10.174 249 HA2 GLY 40 HA2 GLY 40 -3.491 0.562 -12.261 250 HA3 GLY 40 HA3 GLY 40 -4.210 -0.944 -11.727 251 H SER 41 H SER 41 -6.174 0.219 -11.141 252 HA SER 41 HA SER 41 -5.810 1.875 -8.771 253 HB2 SER 41 HB2 SER 41 -7.106 3.341 -9.908 254 HB3 SER 41 HB3 SER 41 -7.452 2.163 -11.159 255 HG SER 41 HG SER 41 -9.215 1.371 -9.965 256 H LEU 42 H LEU 42 -7.272 1.523 -6.944 257 HA LEU 42 HA LEU 42 -7.725 -1.151 -6.372 258 HB2 LEU 42 HB2 LEU 42 -9.046 1.260 -5.121 259 HB3 LEU 42 HB3 LEU 42 -8.892 -0.336 -4.412 260 HG LEU 42 HG LEU 42 -6.352 0.987 -5.208 261 HD11 LEU 42 HD11 LEU 42 -6.259 2.557 -3.476 262 HD12 LEU 42 HD12 LEU 42 -7.867 2.794 -4.201 263 HD13 LEU 42 HD13 LEU 42 -7.704 1.898 -2.671 264 HD21 LEU 42 HD21 LEU 42 -6.613 -0.051 -2.493 265 HD22 LEU 42 HD22 LEU 42 -7.074 -1.242 -3.733 266 HD23 LEU 42 HD23 LEU 42 -5.466 -0.481 -3.784 267 H ALA 43 H ALA 43 -9.736 1.298 -7.987 268 HA ALA 43 HA ALA 43 -12.156 -0.159 -7.759 269 HB1 ALA 43 HB1 ALA 43 -11.226 2.365 -8.759 270 HB2 ALA 43 HB2 ALA 43 -12.146 1.558 -10.052 271 HB3 ALA 43 HB3 ALA 43 -12.900 1.838 -8.465 272 H GLU 44 H GLU 44 -9.270 -0.858 -9.350 273 HA GLU 44 HA GLU 44 -10.743 -2.396 -11.345 274 HB2 GLU 44 HB2 GLU 44 -8.285 -0.713 -11.581 275 HB3 GLU 44 HB3 GLU 44 -8.243 -2.241 -12.437 276 HG2 GLU 44 HG2 GLU 44 -9.389 -1.190 -14.097 277 HG3 GLU 44 HG3 GLU 44 -10.793 -1.294 -13.052 278 HE2 GLU 44 HE2 GLU 44 -11.039 2.038 -12.729 279 H MET 45 H MET 45 -9.980 -3.049 -8.510 280 HA MET 45 HA MET 45 -8.176 -5.261 -9.128 281 HB2 MET 45 HB2 MET 45 -8.610 -3.702 -6.520 282 HB3 MET 45 HB3 MET 45 -7.623 -5.146 -6.623 283 HG2 MET 45 HG2 MET 45 -6.423 -3.799 -8.608 284 HG3 MET 45 HG3 MET 45 -7.101 -2.405 -7.790 285 HE1 MET 45 HE1 MET 45 -3.630 -2.554 -7.574 286 HE2 MET 45 HE2 MET 45 -5.056 -1.489 -7.601 287 HE3 MET 45 HE3 MET 45 -4.074 -1.624 -6.122 288 H ASP 46 H ASP 46 -8.519 -6.851 -6.879 289 HA ASP 46 HA ASP 46 -10.750 -8.259 -7.477 290 HB2 ASP 46 HB2 ASP 46 -10.316 -8.656 -4.696 291 HB3 ASP 46 HB3 ASP 46 -9.697 -9.630 -6.015 292 HD2 ASP 46 HD2 ASP 46 -6.968 -9.002 -4.138 293 H ASP 47 H ASP 47 -12.461 -8.768 -5.454 294 HA ASP 47 HA ASP 47 -13.896 -6.325 -5.216 295 HB2 ASP 47 HB2 ASP 47 -15.703 -7.676 -4.449 296 HB3 ASP 47 HB3 ASP 47 -14.875 -8.672 -5.630 297 HD2 ASP 47 HD2 ASP 47 -16.174 -8.974 -2.565 298 H ASN 48 H ASN 48 -11.251 -7.385 -3.628 299 HA ASN 48 HA ASN 48 -12.269 -6.906 -0.959 300 HB2 ASN 48 HB2 ASN 48 -9.447 -7.730 -1.814 301 HB3 ASN 48 HB3 ASN 48 -10.095 -7.786 -0.187 302 HD21 ASN 48 HD21 ASN 48 -9.066 -10.027 -0.953 303 HD22 ASN 48 HD22 ASN 48 -10.231 -11.226 -1.404 304 H HIS 49 H HIS 49 -10.416 -5.527 -3.620 305 HA HIS 49 HA HIS 49 -9.255 -3.497 -1.893 306 HB2 HIS 49 HB2 HIS 49 -8.792 -4.368 -4.739 307 HB3 HIS 49 HB3 HIS 49 -8.233 -2.802 -4.186 308 HD1 HIS 49 HD1 HIS 49 -7.749 -6.513 -3.493 309 HD2 HIS 49 HD2 HIS 49 -5.902 -2.836 -2.677 310 HE1 HIS 49 HE1 HIS 49 -5.488 -7.065 -2.446 311 H LYS 50 H LYS 50 -11.594 -3.964 -4.584 312 HA LYS 50 HA LYS 50 -12.127 -1.392 -5.258 313 HB2 LYS 50 HB2 LYS 50 -13.715 -3.917 -5.178 314 HB3 LYS 50 HB3 LYS 50 -14.596 -2.423 -5.426 315 HG2 LYS 50 HG2 LYS 50 -13.045 -1.840 -7.318 316 HG3 LYS 50 HG3 LYS 50 -12.204 -3.359 -7.082 317 HD2 LYS 50 HD2 LYS 50 -15.202 -3.232 -7.622 318 HD3 LYS 50 HD3 LYS 50 -14.024 -3.312 -8.917 319 HE2 LYS 50 HE2 LYS 50 -13.760 -5.549 -8.630 320 HE3 LYS 50 HE3 LYS 50 -13.394 -5.342 -6.929 321 HZ1 LYS 50 HZ1 LYS 50 -15.541 -5.791 -6.354 322 HZ2 LYS 50 HZ2 LYS 50 -16.199 -5.036 -7.638 323 HA PRO 51 HA PRO 51 -15.690 -1.498 -1.679 324 HB2 PRO 51 HB2 PRO 51 -13.754 -3.022 0.109 325 HB3 PRO 51 HB3 PRO 51 -15.547 -2.979 0.104 326 HG2 PRO 51 HG2 PRO 51 -13.945 -4.823 -1.080 327 HG3 PRO 51 HG3 PRO 51 -15.643 -4.734 -1.653 328 HD2 PRO 51 HD2 PRO 51 -13.252 -4.152 -3.148 329 HD3 PRO 51 HD3 PRO 51 -14.933 -3.786 -3.643 330 H HIS 52 H HIS 52 -12.085 -1.523 -1.073 331 HA HIS 52 HA HIS 52 -12.349 0.741 0.654 332 HB2 HIS 52 HB2 HIS 52 -9.969 -0.762 -0.459 333 HB3 HIS 52 HB3 HIS 52 -9.814 0.633 0.591 334 HD1 HIS 52 HD1 HIS 52 -9.830 -2.922 0.768 335 HD2 HIS 52 HD2 HIS 52 -11.479 0.119 3.140 336 HE1 HIS 52 HE1 HIS 52 -10.285 -3.964 3.053 337 H ASP 53 H ASP 53 -11.008 0.084 -2.650 338 HA ASP 53 HA ASP 53 -9.887 2.092 -3.573 339 HB2 ASP 53 HB2 ASP 53 -11.059 0.514 -5.061 340 HB3 ASP 53 HB3 ASP 53 -12.605 1.242 -4.674 341 HD2 ASP 53 HD2 ASP 53 -10.166 3.293 -7.123 342 H GLY 54 H GLY 54 -9.869 4.201 -2.735 343 HA2 GLY 54 HA2 GLY 54 -10.678 6.369 -2.756 344 HA3 GLY 54 HA3 GLY 54 -12.308 5.782 -3.018 345 H LEU 55 H LEU 55 -9.752 5.095 -0.516 346 HA LEU 55 HA LEU 55 -11.349 6.325 1.517 347 HB2 LEU 55 HB2 LEU 55 -11.438 3.414 1.069 348 HB3 LEU 55 HB3 LEU 55 -11.093 3.895 2.718 349 HG LEU 55 HG LEU 55 -13.495 4.798 1.105 350 HD11 LEU 55 HD11 LEU 55 -13.764 2.479 1.545 351 HD12 LEU 55 HD12 LEU 55 -13.189 2.657 3.220 352 HD13 LEU 55 HD13 LEU 55 -14.756 3.350 2.739 353 HD21 LEU 55 HD21 LEU 55 -13.603 5.086 4.015 354 HD22 LEU 55 HD22 LEU 55 -12.335 6.077 3.255 355 HD23 LEU 55 HD23 LEU 55 -14.027 6.237 2.725 356 H LEU 56 H LEU 56 -8.850 3.694 1.251 357 HA LEU 56 HA LEU 56 -7.019 5.532 2.624 358 HB2 LEU 56 HB2 LEU 56 -6.304 3.912 4.097 359 HB3 LEU 56 HB3 LEU 56 -8.044 3.708 4.074 360 HG LEU 56 HG LEU 56 -6.545 2.013 2.159 361 HD11 LEU 56 HD11 LEU 56 -5.846 2.086 5.005 362 HD12 LEU 56 HD12 LEU 56 -6.333 0.475 4.426 363 HD13 LEU 56 HD13 LEU 56 -5.000 1.342 3.628 364 HD21 LEU 56 HD21 LEU 56 -8.387 0.761 2.264 365 HD22 LEU 56 HD22 LEU 56 -8.381 0.743 4.044 366 HD23 LEU 56 HD23 LEU 56 -9.115 2.109 3.169 367 H MET 57 H MET 57 -4.747 5.232 2.093 368 HA MET 57 HA MET 57 -4.463 4.571 -0.645 369 HB2 MET 57 HB2 MET 57 -2.407 5.289 1.520 370 HB3 MET 57 HB3 MET 57 -2.056 5.242 -0.196 371 HG2 MET 57 HG2 MET 57 -2.857 7.350 -0.459 372 HG3 MET 57 HG3 MET 57 -4.414 6.875 0.189 373 HE1 MET 57 HE1 MET 57 -4.229 9.811 1.658 374 HE2 MET 57 HE2 MET 57 -5.234 8.382 1.318 375 HE3 MET 57 HE3 MET 57 -4.837 8.811 2.999 376 H CYS 58 H CYS 58 -2.306 3.253 -1.256 377 HA CYS 58 HA CYS 58 -2.823 0.614 -0.539 378 HB2 CYS 58 HB2 CYS 58 -0.213 1.599 -1.683 379 HB3 CYS 58 HB3 CYS 58 -0.961 0.027 -1.879 380 H ALA 59 H ALA 59 0.235 2.509 0.050 381 HA ALA 59 HA ALA 59 1.459 0.941 1.819 382 HB1 ALA 59 HB1 ALA 59 2.469 2.987 2.740 383 HB2 ALA 59 HB2 ALA 59 2.288 3.118 0.974 384 HB3 ALA 59 HB3 ALA 59 1.150 3.962 2.050 385 H ASP 60 H ASP 60 -1.118 3.353 2.672 386 HA ASP 60 HA ASP 60 -1.246 3.213 5.266 387 HB2 ASP 60 HB2 ASP 60 -3.630 2.762 3.410 388 HB3 ASP 60 HB3 ASP 60 -3.769 3.258 5.085 389 HD2 ASP 60 HD2 ASP 60 -4.120 6.327 3.838 390 H CYS 61 H CYS 61 -2.015 0.558 2.998 391 HA CYS 61 HA CYS 61 -2.744 -1.139 5.264 392 HB2 CYS 61 HB2 CYS 61 -3.697 -0.948 2.504 393 HB3 CYS 61 HB3 CYS 61 -3.243 -2.585 2.932 394 H HIS 62 H HIS 62 -0.896 -1.126 2.124 395 HA HIS 62 HA HIS 62 0.686 -3.344 3.040 396 HB2 HIS 62 HB2 HIS 62 0.772 -1.699 0.496 397 HB3 HIS 62 HB3 HIS 62 1.786 -3.093 0.812 398 HD1 HIS 62 HD1 HIS 62 0.155 -5.340 1.580 399 HD2 HIS 62 HD2 HIS 62 -1.426 -2.391 -0.949 400 HE1 HIS 62 HE1 HIS 62 -1.817 -6.417 0.372 401 H ALA 63 H ALA 63 1.142 -1.649 4.980 402 HA ALA 63 HA ALA 63 2.747 0.481 4.819 403 HB1 ALA 63 HB1 ALA 63 1.995 -0.316 6.941 404 HB2 ALA 63 HB2 ALA 63 2.816 -1.880 6.727 405 HB3 ALA 63 HB3 ALA 63 3.772 -0.402 6.991 406 HA PRO 64 HA PRO 64 6.013 -1.295 2.255 407 HB2 PRO 64 HB2 PRO 64 6.696 1.616 2.068 408 HB3 PRO 64 HB3 PRO 64 6.347 0.414 0.783 409 HG2 PRO 64 HG2 PRO 64 4.328 2.295 1.294 410 HG3 PRO 64 HG3 PRO 64 4.130 0.560 0.882 411 HD2 PRO 64 HD2 PRO 64 4.268 1.897 3.651 412 HD3 PRO 64 HD3 PRO 64 2.974 0.846 2.999 413 H HIS 65 H HIS 65 6.580 1.635 4.391 414 HA HIS 65 HA HIS 65 9.187 0.611 5.005 415 HB2 HIS 65 HB2 HIS 65 7.644 3.065 5.870 416 HB3 HIS 65 HB3 HIS 65 9.231 2.673 6.503 417 HD1 HIS 65 HD1 HIS 65 10.911 1.966 4.157 418 HD2 HIS 65 HD2 HIS 65 7.963 4.941 3.928 419 HE1 HIS 65 HE1 HIS 65 11.555 3.461 2.192 420 H GLU 66 H GLU 66 7.808 -1.459 5.751 421 HA GLU 66 HA GLU 66 8.281 -1.754 8.409 422 HB2 GLU 66 HB2 GLU 66 6.017 -0.165 8.167 423 HB3 GLU 66 HB3 GLU 66 5.319 -1.763 8.341 424 HG2 GLU 66 HG2 GLU 66 5.880 -1.874 10.544 425 HG3 GLU 66 HG3 GLU 66 7.535 -1.398 10.222 426 HE2 GLU 66 HE2 GLU 66 7.152 1.783 11.178 427 H ALA 67 H ALA 67 5.582 -2.572 6.103 428 HA ALA 67 HA ALA 67 5.491 -5.275 6.829 429 HB1 ALA 67 HB1 ALA 67 3.994 -5.488 4.988 430 HB2 ALA 67 HB2 ALA 67 3.758 -3.833 5.601 431 HB3 ALA 67 HB3 ALA 67 4.726 -4.109 4.133 432 H LYS 68 H LYS 68 6.007 -7.124 5.267 433 HA LYS 68 HA LYS 68 8.488 -6.543 3.813 434 HB2 LYS 68 HB2 LYS 68 8.047 -8.992 5.542 435 HB3 LYS 68 HB3 LYS 68 9.506 -8.549 4.680 436 HG2 LYS 68 HG2 LYS 68 10.188 -7.203 6.376 437 HG3 LYS 68 HG3 LYS 68 8.671 -6.326 6.365 438 HD2 LYS 68 HD2 LYS 68 7.663 -7.771 7.950 439 HD3 LYS 68 HD3 LYS 68 8.771 -9.086 7.609 440 HE2 LYS 68 HE2 LYS 68 10.605 -7.346 8.502 441 HE3 LYS 68 HE3 LYS 68 9.221 -6.612 9.287 442 HZ1 LYS 68 HZ1 LYS 68 9.010 -9.343 9.748 443 HZ2 LYS 68 HZ2 LYS 68 10.575 -8.987 10.019 444 H VAL 69 H VAL 69 8.605 -7.416 1.779 445 HA VAL 69 HA VAL 69 6.489 -8.065 0.332 446 HB VAL 69 HB VAL 69 9.355 -8.801 0.241 447 HG11 VAL 69 HG11 VAL 69 8.695 -9.982 -2.057 448 HG12 VAL 69 HG12 VAL 69 8.828 -10.891 -0.533 449 HG13 VAL 69 HG13 VAL 69 7.229 -10.391 -1.134 450 HG21 VAL 69 HG21 VAL 69 9.016 -6.801 -0.822 451 HG22 VAL 69 HG22 VAL 69 8.792 -7.900 -2.205 452 HG23 VAL 69 HG23 VAL 69 7.375 -7.233 -1.359 453 H GLY 70 H GLY 70 4.965 -9.647 0.163 454 HA2 GLY 70 HA2 GLY 70 4.083 -11.752 0.292 455 HA3 GLY 70 HA3 GLY 70 5.541 -12.337 1.067 456 H GLU 71 H GLU 71 3.600 -9.474 2.081 457 HA GLU 71 HA GLU 71 3.027 -10.948 4.533 458 HB2 GLU 71 HB2 GLU 71 4.142 -8.277 4.050 459 HB3 GLU 71 HB3 GLU 71 2.735 -8.203 5.092 460 HG2 GLU 71 HG2 GLU 71 4.646 -10.406 5.727 461 HG3 GLU 71 HG3 GLU 71 5.284 -8.791 5.962 462 HE2 GLU 71 HE2 GLU 71 2.065 -9.996 8.034 463 H LYS 72 H LYS 72 0.895 -10.997 5.300 464 HA LYS 72 HA LYS 72 -1.057 -9.703 3.528 465 HB2 LYS 72 HB2 LYS 72 -1.044 -12.356 4.946 466 HB3 LYS 72 HB3 LYS 72 -2.565 -11.576 4.563 467 HG2 LYS 72 HG2 LYS 72 -1.027 -11.331 2.197 468 HG3 LYS 72 HG3 LYS 72 -0.684 -12.948 2.777 469 HD2 LYS 72 HD2 LYS 72 -3.558 -12.198 2.930 470 HD3 LYS 72 HD3 LYS 72 -2.919 -12.230 1.298 471 HE2 LYS 72 HE2 LYS 72 -2.417 -14.530 3.228 472 HE3 LYS 72 HE3 LYS 72 -3.887 -14.450 2.278 473 HZ1 LYS 72 HZ1 LYS 72 -2.126 -15.706 1.139 474 HZ2 LYS 72 HZ2 LYS 72 -2.531 -14.394 0.262 475 HA PRO 73 HA PRO 73 -1.401 -6.968 7.063 476 HB2 PRO 73 HB2 PRO 73 -3.652 -6.141 5.183 477 HB3 PRO 73 HB3 PRO 73 -2.511 -5.143 6.142 478 HG2 PRO 73 HG2 PRO 73 -2.033 -5.575 3.460 479 HG3 PRO 73 HG3 PRO 73 -0.694 -5.613 4.653 480 HD2 PRO 73 HD2 PRO 73 -2.261 -7.899 3.373 481 HD3 PRO 73 HD3 PRO 73 -0.506 -7.781 3.701 482 H THR 74 H THR 74 -3.089 -6.673 8.740 483 HA THR 74 HA THR 74 -5.136 -8.784 8.562 484 HB THR 74 HB THR 74 -4.926 -8.820 11.065 485 HG1 THR 74 HG1 THR 74 -2.622 -7.105 10.560 486 HG21 THR 74 HG21 THR 74 -2.466 -9.507 11.219 487 HG22 THR 74 HG22 THR 74 -3.383 -10.361 9.953 488 HG23 THR 74 HG23 THR 74 -2.294 -9.022 9.514 489 H CYS 75 H CYS 75 -7.265 -8.314 8.903 490 HA CYS 75 HA CYS 75 -8.023 -5.644 8.518 491 HB2 CYS 75 HB2 CYS 75 -9.846 -7.802 9.559 492 HB3 CYS 75 HB3 CYS 75 -10.249 -6.411 8.571 493 H ASP 76 H ASP 76 -7.875 -7.869 11.360 494 HA ASP 76 HA ASP 76 -9.203 -6.560 13.226 495 HB2 ASP 76 HB2 ASP 76 -6.516 -7.951 13.292 496 HB3 ASP 76 HB3 ASP 76 -7.104 -7.192 14.758 497 HD2 ASP 76 HD2 ASP 76 -9.874 -8.649 15.050 498 H THR 77 H THR 77 -6.233 -5.527 11.585 499 HA THR 77 HA THR 77 -5.242 -3.682 13.416 500 HB THR 77 HB THR 77 -5.193 -3.352 10.386 501 HG1 THR 77 HG1 THR 77 -3.669 -5.152 12.132 502 HG21 THR 77 HG21 THR 77 -3.541 -1.889 11.021 503 HG22 THR 77 HG22 THR 77 -3.570 -2.476 12.701 504 HG23 THR 77 HG23 THR 77 -2.605 -3.333 11.474 505 H CYS 78 H CYS 78 -7.826 -3.351 10.933 506 HA CYS 78 HA CYS 78 -8.371 -0.724 12.113 507 HB2 CYS 78 HB2 CYS 78 -8.641 -1.731 9.286 508 HB3 CYS 78 HB3 CYS 78 -9.652 -0.417 9.852 509 H HIS 79 H HIS 79 -9.810 -3.693 10.589 510 HA HIS 79 HA HIS 79 -12.331 -3.081 11.887 511 HB2 HIS 79 HB2 HIS 79 -11.660 -5.359 10.008 512 HB3 HIS 79 HB3 HIS 79 -13.256 -4.837 10.506 513 HD1 HIS 79 HD1 HIS 79 -13.472 -1.963 9.934 514 HD2 HIS 79 HD2 HIS 79 -11.186 -4.483 7.480 515 HE1 HIS 79 HE1 HIS 79 -13.260 -0.772 7.687 516 H ASP 80 H ASP 80 -11.932 -3.463 14.093 517 HA ASP 80 HA ASP 80 -10.771 -5.999 14.786 518 HB2 ASP 80 HB2 ASP 80 -11.847 -3.731 16.529 519 HB3 ASP 80 HB3 ASP 80 -10.981 -5.130 17.132 520 HD2 ASP 80 HD2 ASP 80 -8.280 -4.871 15.883 521 H ASP 81 H ASP 81 -13.368 -5.999 13.398 522 HA ASP 81 HA ASP 81 -15.169 -6.696 15.572 523 HB2 ASP 81 HB2 ASP 81 -16.945 -6.592 13.769 524 HB3 ASP 81 HB3 ASP 81 -16.142 -5.065 14.076 525 HD2 ASP 81 HD2 ASP 81 -16.909 -4.864 11.270 526 H GLY 82 H GLY 82 -12.833 -8.262 14.207 527 HA2 GLY 82 HA2 GLY 82 -12.653 -10.583 14.132 528 HA3 GLY 82 HA3 GLY 82 -14.360 -10.722 13.757 529 H ARG 83 H ARG 83 -13.857 -8.304 11.766 530 HA ARG 83 HA ARG 83 -14.041 -9.519 9.475 531 HB2 ARG 83 HB2 ARG 83 -13.205 -6.923 10.328 532 HB3 ARG 83 HB3 ARG 83 -12.052 -7.408 9.101 533 HG2 ARG 83 HG2 ARG 83 -14.080 -6.206 8.180 534 HG3 ARG 83 HG3 ARG 83 -13.806 -7.782 7.466 535 HD2 ARG 83 HD2 ARG 83 -15.860 -8.478 8.136 536 HD3 ARG 83 HD3 ARG 83 -15.453 -8.157 9.809 537 HE ARG 83 HE ARG 83 -16.507 -6.035 9.666 538 H THR 84 H THR 84 -12.801 -10.734 8.012 539 HA THR 84 HA THR 84 -9.923 -10.928 8.538 540 HB THR 84 HB THR 84 -10.274 -13.475 8.152 541 HG1 THR 84 HG1 THR 84 -12.942 -12.567 8.965 542 HG21 THR 84 HG21 THR 84 -11.846 -13.077 10.589 543 HG22 THR 84 HG22 THR 84 -10.184 -13.692 10.427 544 HG23 THR 84 HG23 THR 84 -10.477 -11.940 10.544 545 H ALA 85 H ALA 85 -8.675 -11.748 6.708 546 HA ALA 85 HA ALA 85 -9.467 -10.509 4.335 547 HB1 ALA 85 HB1 ALA 85 -7.260 -10.784 4.032 548 HB2 ALA 85 HB2 ALA 85 -7.189 -11.889 5.425 549 HB3 ALA 85 HB3 ALA 85 -7.521 -12.529 3.798 550 H LYS 86 H LYS 86 -9.894 -11.531 2.212 551 HA LYS 86 HA LYS 86 -11.359 -14.054 2.565 552 HB2 LYS 86 HB2 LYS 86 -12.429 -11.618 1.877 553 HB3 LYS 86 HB3 LYS 86 -12.130 -12.326 0.303 554 HG2 LYS 86 HG2 LYS 86 -13.290 -14.455 1.154 555 HG3 LYS 86 HG3 LYS 86 -13.752 -13.548 2.580 556 HD2 LYS 86 HD2 LYS 86 -15.055 -11.972 1.268 557 HD3 LYS 86 HD3 LYS 86 -14.399 -12.581 -0.238 558 HE2 LYS 86 HE2 LYS 86 -16.124 -14.217 1.683 559 HE3 LYS 86 HE3 LYS 86 -16.724 -13.426 0.240 560 HZ1 LYS 86 HZ1 LYS 86 -16.098 -15.260 -0.871 561 HZ2 LYS 86 HZ2 LYS 86 -14.534 -14.920 -0.572 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 18.004 -10.626 5.714 2 HA ALA 1 HA ALA 1 16.148 -12.378 4.649 3 HB1 ALA 1 HB1 ALA 1 16.286 -11.999 7.615 4 HB2 ALA 1 HB2 ALA 1 16.404 -13.488 6.647 5 HB3 ALA 1 HB3 ALA 1 17.801 -12.392 6.768 6 H ASP 2 H ASP 2 14.250 -11.534 3.812 7 HA ASP 2 HA ASP 2 12.152 -10.940 3.915 8 HB2 ASP 2 HB2 ASP 2 12.420 -10.206 6.857 9 HB3 ASP 2 HB3 ASP 2 10.955 -10.630 5.994 10 HD2 ASP 2 HD2 ASP 2 11.336 -13.741 7.417 11 H GLU 3 H GLU 3 12.831 -9.068 2.605 12 HA GLU 3 HA GLU 3 13.522 -6.678 4.039 13 HB2 GLU 3 HB2 GLU 3 14.118 -5.765 1.921 14 HB3 GLU 3 HB3 GLU 3 14.611 -7.445 1.846 15 HG2 GLU 3 HG2 GLU 3 12.204 -7.850 0.828 16 HG3 GLU 3 HG3 GLU 3 12.216 -6.123 0.533 17 HE2 GLU 3 HE2 GLU 3 12.697 -8.466 -1.559 18 H THR 4 H THR 4 12.356 -4.581 3.556 19 HA THR 4 HA THR 4 9.545 -4.981 3.894 20 HB THR 4 HB THR 4 9.618 -2.448 4.028 21 HG1 THR 4 HG1 THR 4 11.350 -1.702 2.860 22 HG21 THR 4 HG21 THR 4 11.867 -2.613 5.680 23 HG22 THR 4 HG22 THR 4 10.198 -2.963 6.193 24 HG23 THR 4 HG23 THR 4 11.266 -4.288 5.672 25 H LEU 5 H LEU 5 7.893 -3.776 2.591 26 HA LEU 5 HA LEU 5 8.007 -4.665 -0.046 27 HB2 LEU 5 HB2 LEU 5 6.047 -3.968 1.585 28 HB3 LEU 5 HB3 LEU 5 6.208 -2.426 0.768 29 HG LEU 5 HG LEU 5 6.146 -4.263 -1.325 30 HD11 LEU 5 HD11 LEU 5 4.374 -5.782 -0.969 31 HD12 LEU 5 HD12 LEU 5 5.459 -5.962 0.430 32 HD13 LEU 5 HD13 LEU 5 3.944 -5.042 0.591 33 HD21 LEU 5 HD21 LEU 5 4.371 -3.034 -2.036 34 HD22 LEU 5 HD22 LEU 5 3.585 -3.025 -0.439 35 HD23 LEU 5 HD23 LEU 5 4.962 -1.944 -0.760 36 H ALA 6 H ALA 6 8.704 -1.468 1.457 37 HA ALA 6 HA ALA 6 8.966 -0.007 -0.878 38 HB1 ALA 6 HB1 ALA 6 10.843 1.051 0.873 39 HB2 ALA 6 HB2 ALA 6 9.108 1.446 0.848 40 HB3 ALA 6 HB3 ALA 6 9.721 0.198 1.959 41 H GLU 7 H GLU 7 11.355 -2.044 0.916 42 HA GLU 7 HA GLU 7 13.532 -1.398 -0.629 43 HB2 GLU 7 HB2 GLU 7 13.310 -2.802 1.576 44 HB3 GLU 7 HB3 GLU 7 13.106 -4.176 0.508 45 HG2 GLU 7 HG2 GLU 7 15.419 -4.213 0.743 46 HG3 GLU 7 HG3 GLU 7 15.289 -3.195 -0.677 47 HE2 GLU 7 HE2 GLU 7 16.932 -3.272 2.043 48 H PHE 8 H PHE 8 11.409 -4.348 -0.895 49 HA PHE 8 HA PHE 8 12.449 -5.494 -3.079 50 HB2 PHE 8 HB2 PHE 8 10.483 -6.319 -1.799 51 HB3 PHE 8 HB3 PHE 8 9.533 -4.930 -2.287 52 HD1 PHE 8 HD1 PHE 8 11.316 -7.869 -3.728 53 HD2 PHE 8 HD2 PHE 8 8.125 -5.099 -4.125 54 HE1 PHE 8 HE1 PHE 8 10.442 -9.158 -5.695 55 HE2 PHE 8 HE2 PHE 8 7.251 -6.389 -6.093 56 HZ PHE 8 HZ PHE 8 8.420 -8.403 -6.854 57 H HIS 9 H HIS 9 10.341 -2.579 -3.005 58 HA HIS 9 HA HIS 9 10.081 -2.495 -5.830 59 HB2 HIS 9 HB2 HIS 9 9.372 -0.693 -3.538 60 HB3 HIS 9 HB3 HIS 9 9.348 -0.049 -5.168 61 HD1 HIS 9 HD1 HIS 9 7.616 -2.571 -2.947 62 HD2 HIS 9 HD2 HIS 9 7.232 -0.942 -6.793 63 HE1 HIS 9 HE1 HIS 9 5.331 -3.308 -3.811 64 H VAL 10 H VAL 10 12.247 -1.028 -3.372 65 HA VAL 10 HA VAL 10 13.463 0.859 -4.986 66 HB VAL 10 HB VAL 10 14.265 -0.721 -2.569 67 HG11 VAL 10 HG11 VAL 10 16.425 -0.527 -3.246 68 HG12 VAL 10 HG12 VAL 10 16.071 0.808 -4.369 69 HG13 VAL 10 HG13 VAL 10 16.230 1.129 -2.625 70 HG21 VAL 10 HG21 VAL 10 14.263 1.549 -1.540 71 HG22 VAL 10 HG22 VAL 10 13.745 2.222 -3.105 72 HG23 VAL 10 HG23 VAL 10 12.689 1.086 -2.231 73 H GLU 11 H GLU 11 14.478 -2.566 -4.309 74 HA GLU 11 HA GLU 11 16.657 -2.581 -5.932 75 HB2 GLU 11 HB2 GLU 11 15.858 -4.387 -4.317 76 HB3 GLU 11 HB3 GLU 11 14.743 -4.923 -5.558 77 HG2 GLU 11 HG2 GLU 11 16.398 -6.140 -6.511 78 HG3 GLU 11 HG3 GLU 11 17.287 -4.666 -6.838 79 HE2 GLU 11 HE2 GLU 11 19.466 -6.239 -5.831 80 H MET 12 H MET 12 13.299 -2.334 -6.803 81 HA MET 12 HA MET 12 13.878 -3.223 -9.505 82 HB2 MET 12 HB2 MET 12 11.534 -3.157 -7.729 83 HB3 MET 12 HB3 MET 12 11.155 -2.378 -9.253 84 HG2 MET 12 HG2 MET 12 10.998 -4.396 -10.281 85 HG3 MET 12 HG3 MET 12 12.652 -4.778 -9.843 86 HE1 MET 12 HE1 MET 12 9.780 -4.681 -6.529 87 HE2 MET 12 HE2 MET 12 9.631 -3.791 -8.064 88 HE3 MET 12 HE3 MET 12 8.776 -5.337 -7.844 89 H GLY 13 H GLY 13 14.711 -0.575 -8.080 90 HA2 GLY 13 HA2 GLY 13 14.640 1.111 -10.266 91 HA3 GLY 13 HA3 GLY 13 13.222 1.511 -9.317 92 H GLY 14 H GLY 14 13.544 2.015 -6.947 93 HA2 GLY 14 HA2 GLY 14 15.893 2.356 -5.628 94 HA3 GLY 14 HA3 GLY 14 15.799 3.779 -6.647 95 H CYS 15 H CYS 15 15.716 4.837 -4.406 96 HA CYS 15 HA CYS 15 13.352 4.497 -2.887 97 HB2 CYS 15 HB2 CYS 15 15.497 6.627 -2.838 98 HB3 CYS 15 HB3 CYS 15 14.164 6.555 -1.702 99 H GLU 16 H GLU 16 14.139 6.048 -5.856 100 HA GLU 16 HA GLU 16 12.255 8.178 -5.527 101 HB2 GLU 16 HB2 GLU 16 13.877 7.247 -7.936 102 HB3 GLU 16 HB3 GLU 16 12.853 8.669 -7.933 103 HG2 GLU 16 HG2 GLU 16 14.914 9.623 -7.382 104 HG3 GLU 16 HG3 GLU 16 14.249 9.350 -5.784 105 HE2 GLU 16 HE2 GLU 16 15.533 7.900 -4.476 106 H ASN 17 H ASN 17 11.627 5.089 -5.538 107 HA ASN 17 HA ASN 17 10.065 4.733 -7.852 108 HB2 ASN 17 HB2 ASN 17 11.024 3.114 -5.752 109 HB3 ASN 17 HB3 ASN 17 9.290 3.111 -5.497 110 HD21 ASN 17 HD21 ASN 17 7.893 2.399 -7.146 111 HD22 ASN 17 HD22 ASN 17 8.421 1.324 -8.398 112 H CYS 18 H CYS 18 9.648 6.184 -4.660 113 HA CYS 18 HA CYS 18 6.942 6.907 -5.373 114 HB2 CYS 18 HB2 CYS 18 7.361 5.792 -2.607 115 HB3 CYS 18 HB3 CYS 18 5.863 6.073 -3.470 116 H HIS 19 H HIS 19 9.688 8.137 -5.152 117 HA HIS 19 HA HIS 19 8.902 10.295 -3.398 118 HB2 HIS 19 HB2 HIS 19 11.517 8.799 -3.070 119 HB3 HIS 19 HB3 HIS 19 11.168 10.355 -2.343 120 HD1 HIS 19 HD1 HIS 19 8.292 9.874 -1.299 121 HD2 HIS 19 HD2 HIS 19 11.429 7.117 -0.908 122 HE1 HIS 19 HE1 HIS 19 7.683 8.373 0.673 123 H ALA 20 H ALA 20 9.364 12.252 -4.325 124 HA ALA 20 HA ALA 20 10.795 12.150 -6.853 125 HB1 ALA 20 HB1 ALA 20 8.476 13.375 -6.071 126 HB2 ALA 20 HB2 ALA 20 9.645 14.703 -5.872 127 HB3 ALA 20 HB3 ALA 20 9.470 13.900 -7.451 128 H ASP 21 H ASP 21 12.920 12.654 -6.984 129 HA ASP 21 HA ASP 21 14.920 13.218 -6.298 130 HB2 ASP 21 HB2 ASP 21 13.408 15.498 -6.813 131 HB3 ASP 21 HB3 ASP 21 14.087 15.870 -5.241 132 HD2 ASP 21 HD2 ASP 21 14.965 17.498 -6.743 133 H GLY 22 H GLY 22 13.468 11.812 -4.239 134 HA2 GLY 22 HA2 GLY 22 13.534 11.344 -2.043 135 HA3 GLY 22 HA3 GLY 22 15.008 12.288 -1.973 136 H GLU 23 H GLU 23 11.490 13.048 -2.541 137 HA GLU 23 HA GLU 23 11.620 14.766 -0.216 138 HB2 GLU 23 HB2 GLU 23 12.055 16.016 -2.497 139 HB3 GLU 23 HB3 GLU 23 10.332 15.820 -2.746 140 HG2 GLU 23 HG2 GLU 23 9.787 17.366 -1.138 141 HG3 GLU 23 HG3 GLU 23 11.027 16.807 -0.034 142 HE2 GLU 23 HE2 GLU 23 11.278 20.050 -1.891 143 HA PRO 24 HA PRO 24 8.104 11.747 -0.187 144 HB2 PRO 24 HB2 PRO 24 8.309 12.783 2.654 145 HB3 PRO 24 HB3 PRO 24 8.083 11.116 2.032 146 HG2 PRO 24 HG2 PRO 24 10.500 11.967 2.917 147 HG3 PRO 24 HG3 PRO 24 10.191 10.775 1.612 148 HD2 PRO 24 HD2 PRO 24 11.119 13.651 1.469 149 HD3 PRO 24 HD3 PRO 24 11.448 12.295 0.348 150 H SER 25 H SER 25 6.073 12.480 -0.809 151 HA SER 25 HA SER 25 5.428 15.105 -0.903 152 HB2 SER 25 HB2 SER 25 3.410 14.383 -1.747 153 HB3 SER 25 HB3 SER 25 4.271 12.859 -1.818 154 HG SER 25 HG SER 25 2.714 12.099 -0.568 155 H LYS 26 H LYS 26 3.499 16.209 0.290 156 HA LYS 26 HA LYS 26 3.659 15.527 3.144 157 HB2 LYS 26 HB2 LYS 26 3.335 18.322 2.033 158 HB3 LYS 26 HB3 LYS 26 3.641 17.852 3.692 159 HG2 LYS 26 HG2 LYS 26 5.674 16.723 1.907 160 HG3 LYS 26 HG3 LYS 26 5.573 18.461 1.707 161 HD2 LYS 26 HD2 LYS 26 7.001 18.464 3.514 162 HD3 LYS 26 HD3 LYS 26 5.504 18.365 4.420 163 HE2 LYS 26 HE2 LYS 26 5.962 15.692 3.856 164 HE3 LYS 26 HE3 LYS 26 7.602 16.293 4.002 165 HZ1 LYS 26 HZ1 LYS 26 7.267 16.146 6.211 166 HZ2 LYS 26 HZ2 LYS 26 6.272 17.431 6.117 167 H ASP 27 H ASP 27 1.798 14.318 1.371 168 HA ASP 27 HA ASP 27 -0.597 15.376 2.562 169 HB2 ASP 27 HB2 ASP 27 -1.728 14.987 0.212 170 HB3 ASP 27 HB3 ASP 27 -0.910 16.503 0.535 171 HD2 ASP 27 HD2 ASP 27 -1.404 15.332 -1.929 172 H GLY 28 H GLY 28 0.539 13.070 -0.036 173 HA2 GLY 28 HA2 GLY 28 0.727 10.708 0.742 174 HA3 GLY 28 HA3 GLY 28 -0.893 10.902 1.381 175 H ALA 29 H ALA 29 -1.877 12.622 -0.831 176 HA ALA 29 HA ALA 29 -2.824 10.619 -2.521 177 HB1 ALA 29 HB1 ALA 29 -2.668 13.614 -3.043 178 HB2 ALA 29 HB2 ALA 29 -3.820 12.458 -3.753 179 HB3 ALA 29 HB3 ALA 29 -3.896 12.836 -2.016 180 H TYR 30 H TYR 30 -0.252 13.065 -2.898 181 HA TYR 30 HA TYR 30 0.489 12.630 -5.537 182 HB2 TYR 30 HB2 TYR 30 1.396 14.342 -3.943 183 HB3 TYR 30 HB3 TYR 30 2.366 13.064 -3.191 184 HD1 TYR 30 HD1 TYR 30 1.631 13.792 -6.800 185 HD2 TYR 30 HD2 TYR 30 4.593 13.502 -3.702 186 HE1 TYR 30 HE1 TYR 30 3.420 14.164 -8.476 187 HE2 TYR 30 HE2 TYR 30 6.382 13.874 -5.378 188 HH TYR 30 HH TYR 30 5.937 15.101 -8.392 189 H GLU 31 H GLU 31 1.534 10.755 -2.589 190 HA GLU 31 HA GLU 31 3.210 9.097 -4.102 191 HB2 GLU 31 HB2 GLU 31 1.930 8.647 -1.369 192 HB3 GLU 31 HB3 GLU 31 3.231 7.679 -2.033 193 HG2 GLU 31 HG2 GLU 31 3.778 10.593 -2.120 194 HG3 GLU 31 HG3 GLU 31 3.553 9.980 -0.494 195 HE2 GLU 31 HE2 GLU 31 6.525 9.774 -0.348 196 H PHE 32 H PHE 32 -0.129 8.683 -2.742 197 HA PHE 32 HA PHE 32 -0.644 6.134 -3.445 198 HB2 PHE 32 HB2 PHE 32 -2.257 7.569 -2.281 199 HB3 PHE 32 HB3 PHE 32 -2.267 8.731 -3.593 200 HD1 PHE 32 HD1 PHE 32 -2.709 5.022 -3.591 201 HD2 PHE 32 HD2 PHE 32 -4.411 8.815 -4.445 202 HE1 PHE 32 HE1 PHE 32 -4.726 3.896 -4.573 203 HE2 PHE 32 HE2 PHE 32 -6.427 7.689 -5.428 204 HZ PHE 32 HZ PHE 32 -6.561 5.243 -5.480 205 H GLU 33 H GLU 33 -0.156 8.885 -5.607 206 HA GLU 33 HA GLU 33 -1.481 7.745 -7.807 207 HB2 GLU 33 HB2 GLU 33 -0.028 10.174 -7.186 208 HB3 GLU 33 HB3 GLU 33 0.562 9.537 -8.708 209 HG2 GLU 33 HG2 GLU 33 -1.610 9.596 -9.715 210 HG3 GLU 33 HG3 GLU 33 -2.423 9.728 -8.168 211 HE2 GLU 33 HE2 GLU 33 -2.460 11.588 -10.461 212 H GLN 34 H GLN 34 1.940 7.812 -6.655 213 HA GLN 34 HA GLN 34 3.155 6.737 -8.819 214 HB2 GLN 34 HB2 GLN 34 3.706 6.282 -5.857 215 HB3 GLN 34 HB3 GLN 34 4.804 5.768 -7.123 216 HG2 GLN 34 HG2 GLN 34 3.997 8.598 -6.370 217 HG3 GLN 34 HG3 GLN 34 5.609 7.914 -6.447 218 HE21 GLN 34 HE21 GLN 34 4.209 10.238 -7.762 219 HE22 GLN 34 HE22 GLN 34 4.540 10.088 -9.455 220 H CYS 35 H CYS 35 1.100 5.143 -6.379 221 HA CYS 35 HA CYS 35 1.765 2.534 -7.426 222 HB2 CYS 35 HB2 CYS 35 -0.445 2.899 -5.472 223 HB3 CYS 35 HB3 CYS 35 0.771 1.642 -5.581 224 H GLN 36 H GLN 36 0.763 4.187 -9.442 225 HA GLN 36 HA GLN 36 -1.728 2.846 -9.973 226 HB2 GLN 36 HB2 GLN 36 -1.723 5.528 -9.075 227 HB3 GLN 36 HB3 GLN 36 -1.944 5.643 -10.809 228 HG2 GLN 36 HG2 GLN 36 -3.978 4.484 -10.778 229 HG3 GLN 36 HG3 GLN 36 -3.562 3.567 -9.344 230 HE21 GLN 36 HE21 GLN 36 -3.483 7.053 -10.049 231 HE22 GLN 36 HE22 GLN 36 -4.541 7.562 -8.775 232 H SER 37 H SER 37 0.331 1.901 -11.207 233 HA SER 37 HA SER 37 0.028 2.818 -13.873 234 HB2 SER 37 HB2 SER 37 1.754 4.406 -13.165 235 HB3 SER 37 HB3 SER 37 2.726 3.116 -12.485 236 HG SER 37 HG SER 37 2.552 3.997 -15.110 237 H CYS 38 H CYS 38 2.727 1.146 -12.096 238 HA CYS 38 HA CYS 38 2.743 -0.996 -13.907 239 HB2 CYS 38 HB2 CYS 38 3.899 -1.112 -11.118 240 HB3 CYS 38 HB3 CYS 38 4.456 -1.928 -12.566 241 H HIS 39 H HIS 39 0.603 -0.091 -11.395 242 HA HIS 39 HA HIS 39 -0.261 -2.876 -11.091 243 HB2 HIS 39 HB2 HIS 39 -0.435 -0.566 -9.140 244 HB3 HIS 39 HB3 HIS 39 -1.285 -2.084 -8.927 245 HD1 HIS 39 HD1 HIS 39 0.591 -4.275 -9.227 246 HD2 HIS 39 HD2 HIS 39 1.896 -0.575 -7.742 247 HE1 HIS 39 HE1 HIS 39 2.756 -4.737 -7.957 248 H GLY 40 H GLY 40 -1.988 0.112 -10.124 249 HA2 GLY 40 HA2 GLY 40 -3.491 0.806 -12.212 250 HA3 GLY 40 HA3 GLY 40 -4.248 -0.709 -11.761 251 H SER 41 H SER 41 -6.217 0.365 -11.128 252 HA SER 41 HA SER 41 -5.898 1.990 -8.729 253 HB2 SER 41 HB2 SER 41 -7.223 3.449 -9.839 254 HB3 SER 41 HB3 SER 41 -7.525 2.295 -11.122 255 HG SER 41 HG SER 41 -9.347 1.553 -10.110 256 H LEU 42 H LEU 42 -7.390 1.589 -6.927 257 HA LEU 42 HA LEU 42 -7.785 -1.108 -6.402 258 HB2 LEU 42 HB2 LEU 42 -9.164 1.248 -5.112 259 HB3 LEU 42 HB3 LEU 42 -8.967 -0.355 -4.432 260 HG LEU 42 HG LEU 42 -6.456 1.028 -5.199 261 HD11 LEU 42 HD11 LEU 42 -7.873 2.867 -4.270 262 HD12 LEU 42 HD12 LEU 42 -7.984 1.945 -2.751 263 HD13 LEU 42 HD13 LEU 42 -6.402 2.520 -3.330 264 HD21 LEU 42 HD21 LEU 42 -6.769 -0.034 -2.484 265 HD22 LEU 42 HD22 LEU 42 -7.115 -1.222 -3.763 266 HD23 LEU 42 HD23 LEU 42 -5.544 -0.385 -3.727 267 H ALA 43 H ALA 43 -9.784 1.298 -8.062 268 HA ALA 43 HA ALA 43 -12.202 -0.181 -7.847 269 HB1 ALA 43 HB1 ALA 43 -11.689 2.368 -8.372 270 HB2 ALA 43 HB2 ALA 43 -11.642 1.787 -10.054 271 HB3 ALA 43 HB3 ALA 43 -13.113 1.565 -9.077 272 H GLU 44 H GLU 44 -9.295 -0.870 -9.376 273 HA GLU 44 HA GLU 44 -10.722 -2.406 -11.406 274 HB2 GLU 44 HB2 GLU 44 -9.158 -0.419 -12.149 275 HB3 GLU 44 HB3 GLU 44 -7.848 -1.516 -11.760 276 HG2 GLU 44 HG2 GLU 44 -8.300 -1.859 -14.090 277 HG3 GLU 44 HG3 GLU 44 -8.980 -3.251 -13.272 278 HE2 GLU 44 HE2 GLU 44 -10.666 -1.274 -15.778 279 H MET 45 H MET 45 -10.016 -3.083 -8.579 280 HA MET 45 HA MET 45 -8.174 -5.267 -9.183 281 HB2 MET 45 HB2 MET 45 -8.621 -3.731 -6.563 282 HB3 MET 45 HB3 MET 45 -7.594 -5.144 -6.697 283 HG2 MET 45 HG2 MET 45 -6.445 -3.745 -8.667 284 HG3 MET 45 HG3 MET 45 -7.167 -2.377 -7.844 285 HE1 MET 45 HE1 MET 45 -4.142 -1.521 -6.146 286 HE2 MET 45 HE2 MET 45 -3.749 -2.353 -7.669 287 HE3 MET 45 HE3 MET 45 -5.204 -1.334 -7.562 288 H ASP 46 H ASP 46 -8.509 -6.852 -6.927 289 HA ASP 46 HA ASP 46 -10.694 -8.305 -7.515 290 HB2 ASP 46 HB2 ASP 46 -10.325 -8.579 -4.700 291 HB3 ASP 46 HB3 ASP 46 -9.685 -9.609 -5.964 292 HD2 ASP 46 HD2 ASP 46 -6.572 -8.932 -5.252 293 H ASP 47 H ASP 47 -12.462 -8.788 -5.540 294 HA ASP 47 HA ASP 47 -13.949 -6.366 -5.419 295 HB2 ASP 47 HB2 ASP 47 -14.498 -9.145 -4.273 296 HB3 ASP 47 HB3 ASP 47 -15.662 -7.836 -4.285 297 HD2 ASP 47 HD2 ASP 47 -15.587 -7.432 -7.567 298 H ASN 48 H ASN 48 -11.343 -7.326 -3.714 299 HA ASN 48 HA ASN 48 -12.467 -6.793 -1.096 300 HB2 ASN 48 HB2 ASN 48 -9.613 -7.627 -1.832 301 HB3 ASN 48 HB3 ASN 48 -10.307 -7.622 -0.222 302 HD21 ASN 48 HD21 ASN 48 -9.222 -9.884 -0.951 303 HD22 ASN 48 HD22 ASN 48 -10.380 -11.106 -1.359 304 H HIS 49 H HIS 49 -10.291 -5.589 -3.656 305 HA HIS 49 HA HIS 49 -9.258 -3.487 -1.978 306 HB2 HIS 49 HB2 HIS 49 -8.774 -4.410 -4.800 307 HB3 HIS 49 HB3 HIS 49 -8.228 -2.825 -4.288 308 HD1 HIS 49 HD1 HIS 49 -7.733 -6.513 -3.474 309 HD2 HIS 49 HD2 HIS 49 -5.899 -2.805 -2.779 310 HE1 HIS 49 HE1 HIS 49 -5.473 -7.022 -2.403 311 H LYS 50 H LYS 50 -11.660 -3.999 -4.583 312 HA LYS 50 HA LYS 50 -12.143 -1.406 -5.311 313 HB2 LYS 50 HB2 LYS 50 -13.772 -3.914 -5.216 314 HB3 LYS 50 HB3 LYS 50 -14.600 -2.405 -5.541 315 HG2 LYS 50 HG2 LYS 50 -12.688 -1.987 -7.300 316 HG3 LYS 50 HG3 LYS 50 -12.365 -3.702 -7.139 317 HD2 LYS 50 HD2 LYS 50 -15.197 -2.742 -7.656 318 HD3 LYS 50 HD3 LYS 50 -14.060 -2.860 -8.985 319 HE2 LYS 50 HE2 LYS 50 -13.629 -5.300 -7.866 320 HE3 LYS 50 HE3 LYS 50 -15.276 -5.050 -7.322 321 HZ1 LYS 50 HZ1 LYS 50 -14.457 -5.811 -9.874 322 HZ2 LYS 50 HZ2 LYS 50 -15.982 -5.515 -9.388 323 HA PRO 51 HA PRO 51 -15.727 -1.499 -1.760 324 HB2 PRO 51 HB2 PRO 51 -13.843 -3.043 0.059 325 HB3 PRO 51 HB3 PRO 51 -15.635 -3.007 -0.004 326 HG2 PRO 51 HG2 PRO 51 -13.962 -4.899 -1.185 327 HG3 PRO 51 HG3 PRO 51 -15.675 -4.697 -1.677 328 HD2 PRO 51 HD2 PRO 51 -13.279 -4.160 -3.227 329 HD3 PRO 51 HD3 PRO 51 -14.971 -3.808 -3.692 330 H HIS 52 H HIS 52 -12.134 -1.587 -1.075 331 HA HIS 52 HA HIS 52 -12.382 0.659 0.663 332 HB2 HIS 52 HB2 HIS 52 -10.006 -0.823 -0.485 333 HB3 HIS 52 HB3 HIS 52 -9.852 0.542 0.603 334 HD1 HIS 52 HD1 HIS 52 -9.865 -3.015 0.684 335 HD2 HIS 52 HD2 HIS 52 -11.527 -0.041 3.132 336 HE1 HIS 52 HE1 HIS 52 -10.326 -4.119 2.938 337 H ASP 53 H ASP 53 -11.081 0.058 -2.665 338 HA ASP 53 HA ASP 53 -9.945 2.103 -3.529 339 HB2 ASP 53 HB2 ASP 53 -11.106 0.496 -5.029 340 HB3 ASP 53 HB3 ASP 53 -12.642 1.275 -4.701 341 HD2 ASP 53 HD2 ASP 53 -12.144 3.877 -6.847 342 H GLY 54 H GLY 54 -9.972 4.228 -2.754 343 HA2 GLY 54 HA2 GLY 54 -10.833 6.371 -2.751 344 HA3 GLY 54 HA3 GLY 54 -12.450 5.746 -3.005 345 H LEU 55 H LEU 55 -9.862 5.130 -0.517 346 HA LEU 55 HA LEU 55 -11.470 6.323 1.525 347 HB2 LEU 55 HB2 LEU 55 -11.468 3.393 1.108 348 HB3 LEU 55 HB3 LEU 55 -11.209 3.934 2.754 349 HG LEU 55 HG LEU 55 -13.591 4.564 0.993 350 HD11 LEU 55 HD11 LEU 55 -14.810 3.342 2.846 351 HD12 LEU 55 HD12 LEU 55 -13.776 2.346 1.795 352 HD13 LEU 55 HD13 LEU 55 -13.214 2.803 3.421 353 HD21 LEU 55 HD21 LEU 55 -13.974 6.373 2.214 354 HD22 LEU 55 HD22 LEU 55 -14.093 5.346 3.663 355 HD23 LEU 55 HD23 LEU 55 -12.527 6.057 3.202 356 H LEU 56 H LEU 56 -8.945 3.716 1.277 357 HA LEU 56 HA LEU 56 -7.134 5.584 2.638 358 HB2 LEU 56 HB2 LEU 56 -6.378 3.959 4.089 359 HB3 LEU 56 HB3 LEU 56 -8.116 3.739 4.082 360 HG LEU 56 HG LEU 56 -6.621 2.072 2.141 361 HD11 LEU 56 HD11 LEU 56 -6.407 0.549 4.449 362 HD12 LEU 56 HD12 LEU 56 -5.077 1.340 3.569 363 HD13 LEU 56 HD13 LEU 56 -5.845 2.162 4.948 364 HD21 LEU 56 HD21 LEU 56 -8.408 0.726 2.306 365 HD22 LEU 56 HD22 LEU 56 -8.473 0.852 4.080 366 HD23 LEU 56 HD23 LEU 56 -9.181 2.135 3.071 367 H MET 57 H MET 57 -4.841 5.275 2.127 368 HA MET 57 HA MET 57 -4.560 4.660 -0.628 369 HB2 MET 57 HB2 MET 57 -2.645 5.530 1.597 370 HB3 MET 57 HB3 MET 57 -2.082 5.246 -0.038 371 HG2 MET 57 HG2 MET 57 -3.620 6.976 -0.913 372 HG3 MET 57 HG3 MET 57 -4.319 7.204 0.677 373 HE1 MET 57 HE1 MET 57 -2.217 9.678 2.348 374 HE2 MET 57 HE2 MET 57 -3.812 8.974 1.989 375 HE3 MET 57 HE3 MET 57 -2.599 8.022 2.876 376 H CYS 58 H CYS 58 -2.406 3.369 -1.268 377 HA CYS 58 HA CYS 58 -2.875 0.722 -0.557 378 HB2 CYS 58 HB2 CYS 58 -0.292 1.755 -1.719 379 HB3 CYS 58 HB3 CYS 58 -1.010 0.168 -1.911 380 H ALA 59 H ALA 59 0.174 2.638 0.006 381 HA ALA 59 HA ALA 59 1.415 1.073 1.771 382 HB1 ALA 59 HB1 ALA 59 2.095 3.351 0.849 383 HB2 ALA 59 HB2 ALA 59 1.146 4.074 2.171 384 HB3 ALA 59 HB3 ALA 59 2.547 3.040 2.542 385 H ASP 60 H ASP 60 -1.117 3.525 2.658 386 HA ASP 60 HA ASP 60 -1.215 3.360 5.255 387 HB2 ASP 60 HB2 ASP 60 -3.590 3.058 3.362 388 HB3 ASP 60 HB3 ASP 60 -3.772 3.406 5.069 389 HD2 ASP 60 HD2 ASP 60 -4.035 6.508 3.399 390 H CYS 61 H CYS 61 -2.072 0.755 2.963 391 HA CYS 61 HA CYS 61 -2.849 -0.945 5.210 392 HB2 CYS 61 HB2 CYS 61 -3.853 -0.651 2.509 393 HB3 CYS 61 HB3 CYS 61 -3.331 -2.302 2.779 394 H HIS 62 H HIS 62 -0.925 -0.867 2.122 395 HA HIS 62 HA HIS 62 0.575 -3.165 3.006 396 HB2 HIS 62 HB2 HIS 62 0.664 -1.492 0.484 397 HB3 HIS 62 HB3 HIS 62 1.726 -2.852 0.786 398 HD1 HIS 62 HD1 HIS 62 0.170 -5.160 1.537 399 HD2 HIS 62 HD2 HIS 62 -1.502 -2.247 -0.977 400 HE1 HIS 62 HE1 HIS 62 -1.762 -6.294 0.314 401 H ALA 63 H ALA 63 1.032 -1.480 4.970 402 HA ALA 63 HA ALA 63 2.685 0.606 4.862 403 HB1 ALA 63 HB1 ALA 63 1.735 -0.727 6.868 404 HB2 ALA 63 HB2 ALA 63 3.233 -1.684 6.770 405 HB3 ALA 63 HB3 ALA 63 3.315 0.068 7.077 406 HA PRO 64 HA PRO 64 5.931 -1.202 2.287 407 HB2 PRO 64 HB2 PRO 64 6.646 1.701 2.100 408 HB3 PRO 64 HB3 PRO 64 6.276 0.505 0.815 409 HG2 PRO 64 HG2 PRO 64 4.292 2.417 1.338 410 HG3 PRO 64 HG3 PRO 64 4.076 0.687 0.913 411 HD2 PRO 64 HD2 PRO 64 4.213 2.005 3.690 412 HD3 PRO 64 HD3 PRO 64 2.913 0.970 3.025 413 H HIS 65 H HIS 65 6.512 1.717 4.436 414 HA HIS 65 HA HIS 65 9.109 0.661 5.056 415 HB2 HIS 65 HB2 HIS 65 7.607 3.145 5.909 416 HB3 HIS 65 HB3 HIS 65 9.193 2.732 6.530 417 HD1 HIS 65 HD1 HIS 65 10.835 1.981 4.167 418 HD2 HIS 65 HD2 HIS 65 7.943 5.012 3.961 419 HE1 HIS 65 HE1 HIS 65 11.486 3.456 2.189 420 H GLU 66 H GLU 66 7.593 -1.359 5.797 421 HA GLU 66 HA GLU 66 8.075 -1.634 8.477 422 HB2 GLU 66 HB2 GLU 66 6.281 -0.058 8.937 423 HB3 GLU 66 HB3 GLU 66 5.187 -0.895 7.855 424 HG2 GLU 66 HG2 GLU 66 5.200 -2.890 9.315 425 HG3 GLU 66 HG3 GLU 66 6.399 -2.154 10.360 426 HE2 GLU 66 HE2 GLU 66 3.105 -0.674 9.324 427 H ALA 67 H ALA 67 5.308 -2.485 6.262 428 HA ALA 67 HA ALA 67 5.275 -5.181 6.983 429 HB1 ALA 67 HB1 ALA 67 4.438 -4.191 4.258 430 HB2 ALA 67 HB2 ALA 67 3.645 -5.377 5.323 431 HB3 ALA 67 HB3 ALA 67 3.565 -3.641 5.708 432 H LYS 68 H LYS 68 5.803 -7.050 5.492 433 HA LYS 68 HA LYS 68 8.202 -6.457 3.911 434 HB2 LYS 68 HB2 LYS 68 7.955 -8.940 5.606 435 HB3 LYS 68 HB3 LYS 68 9.382 -8.273 4.840 436 HG2 LYS 68 HG2 LYS 68 8.449 -6.175 6.482 437 HG3 LYS 68 HG3 LYS 68 8.189 -7.615 7.447 438 HD2 LYS 68 HD2 LYS 68 10.719 -8.096 6.415 439 HD3 LYS 68 HD3 LYS 68 10.740 -6.352 6.585 440 HE2 LYS 68 HE2 LYS 68 9.747 -8.100 8.864 441 HE3 LYS 68 HE3 LYS 68 11.465 -7.842 8.632 442 HZ1 LYS 68 HZ1 LYS 68 9.791 -6.141 9.948 443 HZ2 LYS 68 HZ2 LYS 68 11.279 -5.747 9.416 444 H VAL 69 H VAL 69 8.263 -7.399 1.905 445 HA VAL 69 HA VAL 69 6.091 -8.153 0.580 446 HB VAL 69 HB VAL 69 8.973 -8.874 0.364 447 HG11 VAL 69 HG11 VAL 69 6.826 -10.076 -1.419 448 HG12 VAL 69 HG12 VAL 69 8.582 -10.155 -1.703 449 HG13 VAL 69 HG13 VAL 69 7.873 -10.964 -0.285 450 HG21 VAL 69 HG21 VAL 69 7.092 -6.990 -0.805 451 HG22 VAL 69 HG22 VAL 69 8.872 -6.981 -0.819 452 HG23 VAL 69 HG23 VAL 69 7.976 -7.890 -2.060 453 H GLY 70 H GLY 70 4.653 -9.829 0.474 454 HA2 GLY 70 HA2 GLY 70 3.865 -11.957 0.712 455 HA3 GLY 70 HA3 GLY 70 5.381 -12.456 1.435 456 H GLU 71 H GLU 71 3.602 -9.575 2.571 457 HA GLU 71 HA GLU 71 2.854 -11.122 4.929 458 HB2 GLU 71 HB2 GLU 71 4.761 -9.681 5.480 459 HB3 GLU 71 HB3 GLU 71 3.953 -8.281 4.804 460 HG2 GLU 71 HG2 GLU 71 2.700 -7.951 6.685 461 HG3 GLU 71 HG3 GLU 71 2.285 -9.649 6.815 462 HE2 GLU 71 HE2 GLU 71 5.475 -10.344 7.384 463 H LYS 72 H LYS 72 0.680 -11.439 4.324 464 HA LYS 72 HA LYS 72 -0.881 -9.374 3.205 465 HB2 LYS 72 HB2 LYS 72 -2.701 -10.911 3.393 466 HB3 LYS 72 HB3 LYS 72 -1.279 -11.818 2.918 467 HG2 LYS 72 HG2 LYS 72 -1.679 -13.188 4.684 468 HG3 LYS 72 HG3 LYS 72 -1.169 -11.874 5.726 469 HD2 LYS 72 HD2 LYS 72 -3.403 -11.147 6.122 470 HD3 LYS 72 HD3 LYS 72 -4.026 -11.972 4.708 471 HE2 LYS 72 HE2 LYS 72 -4.011 -14.083 5.752 472 HE3 LYS 72 HE3 LYS 72 -2.743 -13.638 6.877 473 HZ1 LYS 72 HZ1 LYS 72 -5.608 -13.074 7.055 474 HZ2 LYS 72 HZ2 LYS 72 -4.570 -13.488 8.240 475 HA PRO 73 HA PRO 73 -1.212 -6.791 6.782 476 HB2 PRO 73 HB2 PRO 73 -3.576 -5.929 5.065 477 HB3 PRO 73 HB3 PRO 73 -2.374 -4.949 5.965 478 HG2 PRO 73 HG2 PRO 73 -2.151 -5.358 3.255 479 HG3 PRO 73 HG3 PRO 73 -0.729 -5.343 4.348 480 HD2 PRO 73 HD2 PRO 73 -2.244 -7.679 3.112 481 HD3 PRO 73 HD3 PRO 73 -0.486 -7.495 3.394 482 H THR 74 H THR 74 -2.801 -6.520 8.561 483 HA THR 74 HA THR 74 -4.784 -8.694 8.520 484 HB THR 74 HB THR 74 -4.523 -8.533 11.031 485 HG1 THR 74 HG1 THR 74 -3.536 -6.653 11.646 486 HG21 THR 74 HG21 THR 74 -1.666 -8.623 10.392 487 HG22 THR 74 HG22 THR 74 -2.728 -9.947 10.928 488 HG23 THR 74 HG23 THR 74 -2.600 -9.555 9.197 489 H CYS 75 H CYS 75 -6.926 -8.336 8.991 490 HA CYS 75 HA CYS 75 -7.834 -5.714 8.472 491 HB2 CYS 75 HB2 CYS 75 -9.498 -7.974 9.573 492 HB3 CYS 75 HB3 CYS 75 -10.026 -6.604 8.616 493 H ASP 76 H ASP 76 -7.517 -7.844 11.370 494 HA ASP 76 HA ASP 76 -8.903 -6.559 13.215 495 HB2 ASP 76 HB2 ASP 76 -7.665 -8.434 13.946 496 HB3 ASP 76 HB3 ASP 76 -6.162 -7.831 13.275 497 HD2 ASP 76 HD2 ASP 76 -4.876 -6.751 15.765 498 H THR 77 H THR 77 -6.026 -5.409 11.498 499 HA THR 77 HA THR 77 -5.096 -3.474 13.268 500 HB THR 77 HB THR 77 -5.119 -3.163 10.241 501 HG1 THR 77 HG1 THR 77 -3.240 -4.779 10.560 502 HG21 THR 77 HG21 THR 77 -3.760 -1.530 11.505 503 HG22 THR 77 HG22 THR 77 -3.012 -2.845 12.443 504 HG23 THR 77 HG23 THR 77 -2.675 -2.690 10.701 505 H CYS 78 H CYS 78 -7.781 -3.366 10.884 506 HA CYS 78 HA CYS 78 -8.442 -0.748 12.024 507 HB2 CYS 78 HB2 CYS 78 -8.638 -1.772 9.201 508 HB3 CYS 78 HB3 CYS 78 -9.760 -0.547 9.758 509 H HIS 79 H HIS 79 -9.710 -3.804 10.521 510 HA HIS 79 HA HIS 79 -12.255 -3.335 11.837 511 HB2 HIS 79 HB2 HIS 79 -11.482 -5.566 9.942 512 HB3 HIS 79 HB3 HIS 79 -13.099 -5.123 10.451 513 HD1 HIS 79 HD1 HIS 79 -13.419 -2.240 9.903 514 HD2 HIS 79 HD2 HIS 79 -11.102 -4.682 7.400 515 HE1 HIS 79 HE1 HIS 79 -13.288 -1.040 7.654 516 H ASP 80 H ASP 80 -11.856 -3.723 14.033 517 HA ASP 80 HA ASP 80 -10.514 -6.170 14.711 518 HB2 ASP 80 HB2 ASP 80 -10.842 -3.627 15.921 519 HB3 ASP 80 HB3 ASP 80 -11.761 -4.718 16.938 520 HD2 ASP 80 HD2 ASP 80 -8.498 -3.883 16.071 521 H ASP 81 H ASP 81 -13.197 -6.160 13.326 522 HA ASP 81 HA ASP 81 -14.943 -7.040 15.459 523 HB2 ASP 81 HB2 ASP 81 -16.702 -7.034 13.706 524 HB3 ASP 81 HB3 ASP 81 -15.889 -5.484 13.801 525 HD2 ASP 81 HD2 ASP 81 -17.275 -6.584 11.497 526 H GLY 82 H GLY 82 -12.457 -8.418 14.006 527 HA2 GLY 82 HA2 GLY 82 -12.058 -10.717 14.014 528 HA3 GLY 82 HA3 GLY 82 -13.760 -11.031 13.739 529 H ARG 83 H ARG 83 -13.350 -8.543 11.679 530 HA ARG 83 HA ARG 83 -13.684 -9.769 9.413 531 HB2 ARG 83 HB2 ARG 83 -12.688 -7.201 10.201 532 HB3 ARG 83 HB3 ARG 83 -11.642 -7.746 8.905 533 HG2 ARG 83 HG2 ARG 83 -13.685 -6.454 8.126 534 HG3 ARG 83 HG3 ARG 83 -13.503 -8.032 7.386 535 HD2 ARG 83 HD2 ARG 83 -15.523 -8.690 8.191 536 HD3 ARG 83 HD3 ARG 83 -15.017 -8.355 9.835 537 HE ARG 83 HE ARG 83 -16.239 -6.369 9.761 538 H THR 84 H THR 84 -12.597 -11.140 7.994 539 HA THR 84 HA THR 84 -9.717 -11.521 8.492 540 HB THR 84 HB THR 84 -10.282 -13.960 7.795 541 HG1 THR 84 HG1 THR 84 -12.495 -14.353 7.637 542 HG21 THR 84 HG21 THR 84 -11.921 -13.371 10.242 543 HG22 THR 84 HG22 THR 84 -10.632 -14.576 10.010 544 HG23 THR 84 HG23 THR 84 -10.214 -12.871 10.304 545 H ALA 85 H ALA 85 -8.455 -12.252 6.632 546 HA ALA 85 HA ALA 85 -9.175 -10.740 4.337 547 HB1 ALA 85 HB1 ALA 85 -6.919 -12.678 4.971 548 HB2 ALA 85 HB2 ALA 85 -7.035 -11.760 3.451 549 HB3 ALA 85 HB3 ALA 85 -6.863 -10.899 4.999 550 H LYS 86 H LYS 86 -9.560 -11.551 2.173 551 HA LYS 86 HA LYS 86 -10.512 -14.329 2.153 552 HB2 LYS 86 HB2 LYS 86 -12.165 -12.132 2.088 553 HB3 LYS 86 HB3 LYS 86 -11.934 -12.452 0.382 554 HG2 LYS 86 HG2 LYS 86 -12.678 -14.766 0.637 555 HG3 LYS 86 HG3 LYS 86 -12.689 -14.627 2.384 556 HD2 LYS 86 HD2 LYS 86 -14.369 -12.580 1.831 557 HD3 LYS 86 HD3 LYS 86 -14.638 -13.517 0.375 558 HE2 LYS 86 HE2 LYS 86 -15.880 -15.060 1.494 559 HE3 LYS 86 HE3 LYS 86 -14.639 -15.274 2.713 560 HZ1 LYS 86 HZ1 LYS 86 -17.016 -14.076 3.165 561 HZ2 LYS 86 HZ2 LYS 86 -15.704 -13.857 4.104 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 17.142 -12.306 3.095 2 HA ALA 1 HA ALA 1 15.271 -13.361 2.286 3 HB1 ALA 1 HB1 ALA 1 14.321 -15.334 3.329 4 HB2 ALA 1 HB2 ALA 1 16.082 -15.560 3.201 5 HB3 ALA 1 HB3 ALA 1 15.352 -15.125 4.765 6 H ASP 2 H ASP 2 15.088 -10.952 3.088 7 HA ASP 2 HA ASP 2 12.630 -10.686 4.237 8 HB2 ASP 2 HB2 ASP 2 14.327 -11.351 6.262 9 HB3 ASP 2 HB3 ASP 2 14.596 -9.619 6.245 10 HD2 ASP 2 HD2 ASP 2 13.278 -11.421 8.102 11 H GLU 3 H GLU 3 12.013 -8.689 3.383 12 HA GLU 3 HA GLU 3 13.726 -6.449 3.650 13 HB2 GLU 3 HB2 GLU 3 14.105 -5.974 1.303 14 HB3 GLU 3 HB3 GLU 3 14.700 -7.589 1.629 15 HG2 GLU 3 HG2 GLU 3 12.007 -8.018 0.946 16 HG3 GLU 3 HG3 GLU 3 12.497 -6.728 -0.135 17 HE2 GLU 3 HE2 GLU 3 14.899 -8.448 -1.762 18 H THR 4 H THR 4 12.487 -4.580 3.733 19 HA THR 4 HA THR 4 9.707 -4.813 3.853 20 HB THR 4 HB THR 4 9.880 -2.275 3.951 21 HG1 THR 4 HG1 THR 4 11.850 -1.428 3.285 22 HG21 THR 4 HG21 THR 4 12.240 -3.424 5.484 23 HG22 THR 4 HG22 THR 4 11.078 -2.178 6.001 24 HG23 THR 4 HG23 THR 4 10.581 -3.886 5.935 25 H LEU 5 H LEU 5 8.073 -3.658 2.539 26 HA LEU 5 HA LEU 5 8.224 -4.516 -0.111 27 HB2 LEU 5 HB2 LEU 5 6.234 -3.904 1.506 28 HB3 LEU 5 HB3 LEU 5 6.370 -2.333 0.741 29 HG LEU 5 HG LEU 5 6.352 -4.005 -1.440 30 HD11 LEU 5 HD11 LEU 5 5.827 -5.857 0.303 31 HD12 LEU 5 HD12 LEU 5 4.196 -5.145 0.316 32 HD13 LEU 5 HD13 LEU 5 4.879 -5.776 -1.202 33 HD21 LEU 5 HD21 LEU 5 3.807 -2.937 -0.223 34 HD22 LEU 5 HD22 LEU 5 5.058 -1.863 -0.895 35 HD23 LEU 5 HD23 LEU 5 4.264 -3.066 -1.939 36 H ALA 6 H ALA 6 8.822 -1.320 1.442 37 HA ALA 6 HA ALA 6 9.100 0.144 -0.907 38 HB1 ALA 6 HB1 ALA 6 9.061 1.602 0.826 39 HB2 ALA 6 HB2 ALA 6 9.727 0.408 1.965 40 HB3 ALA 6 HB3 ALA 6 10.818 1.330 0.903 41 H GLU 7 H GLU 7 11.254 -2.135 0.766 42 HA GLU 7 HA GLU 7 13.563 -1.288 -0.619 43 HB2 GLU 7 HB2 GLU 7 13.523 -2.495 1.611 44 HB3 GLU 7 HB3 GLU 7 13.050 -3.955 0.766 45 HG2 GLU 7 HG2 GLU 7 15.434 -4.090 0.998 46 HG3 GLU 7 HG3 GLU 7 15.149 -3.683 -0.682 47 HE2 GLU 7 HE2 GLU 7 16.748 -1.645 -1.144 48 H PHE 8 H PHE 8 11.289 -4.100 -0.929 49 HA PHE 8 HA PHE 8 12.508 -5.377 -3.016 50 HB2 PHE 8 HB2 PHE 8 10.522 -6.178 -1.720 51 HB3 PHE 8 HB3 PHE 8 9.553 -4.855 -2.338 52 HD1 PHE 8 HD1 PHE 8 11.571 -7.730 -3.610 53 HD2 PHE 8 HD2 PHE 8 8.143 -5.281 -4.113 54 HE1 PHE 8 HE1 PHE 8 10.821 -9.173 -5.522 55 HE2 PHE 8 HE2 PHE 8 7.392 -6.724 -6.025 56 HZ PHE 8 HZ PHE 8 8.741 -8.653 -6.706 57 H HIS 9 H HIS 9 10.373 -2.487 -3.052 58 HA HIS 9 HA HIS 9 10.142 -2.493 -5.884 59 HB2 HIS 9 HB2 HIS 9 9.371 -0.641 -3.653 60 HB3 HIS 9 HB3 HIS 9 9.365 -0.038 -5.299 61 HD1 HIS 9 HD1 HIS 9 7.640 -2.545 -3.052 62 HD2 HIS 9 HD2 HIS 9 7.281 -0.984 -6.928 63 HE1 HIS 9 HE1 HIS 9 5.378 -3.332 -3.933 64 H VAL 10 H VAL 10 12.320 -1.047 -3.450 65 HA VAL 10 HA VAL 10 13.512 0.866 -5.075 66 HB VAL 10 HB VAL 10 14.286 -0.675 -2.629 67 HG11 VAL 10 HG11 VAL 10 16.118 1.302 -4.029 68 HG12 VAL 10 HG12 VAL 10 16.408 0.503 -2.465 69 HG13 VAL 10 HG13 VAL 10 16.366 -0.459 -3.961 70 HG21 VAL 10 HG21 VAL 10 13.460 1.113 -1.580 71 HG22 VAL 10 HG22 VAL 10 14.523 2.205 -2.500 72 HG23 VAL 10 HG23 VAL 10 12.937 1.741 -3.161 73 H GLU 11 H GLU 11 14.577 -2.533 -4.340 74 HA GLU 11 HA GLU 11 16.742 -2.546 -5.982 75 HB2 GLU 11 HB2 GLU 11 16.065 -4.332 -4.336 76 HB3 GLU 11 HB3 GLU 11 14.850 -4.884 -5.472 77 HG2 GLU 11 HG2 GLU 11 16.820 -5.075 -7.187 78 HG3 GLU 11 HG3 GLU 11 17.874 -4.942 -5.793 79 HE2 GLU 11 HE2 GLU 11 17.257 -7.304 -4.120 80 H MET 12 H MET 12 13.374 -2.377 -6.830 81 HA MET 12 HA MET 12 13.985 -3.257 -9.534 82 HB2 MET 12 HB2 MET 12 11.604 -3.272 -7.753 83 HB3 MET 12 HB3 MET 12 11.227 -2.689 -9.362 84 HG2 MET 12 HG2 MET 12 11.321 -4.796 -10.207 85 HG3 MET 12 HG3 MET 12 12.950 -5.015 -9.600 86 HE1 MET 12 HE1 MET 12 9.546 -4.271 -8.348 87 HE2 MET 12 HE2 MET 12 9.063 -5.644 -7.324 88 HE3 MET 12 HE3 MET 12 10.088 -4.351 -6.655 89 H GLY 13 H GLY 13 14.664 -0.575 -8.136 90 HA2 GLY 13 HA2 GLY 13 14.375 1.109 -10.319 91 HA3 GLY 13 HA3 GLY 13 13.002 1.423 -9.275 92 H GLY 14 H GLY 14 13.450 1.930 -6.926 93 HA2 GLY 14 HA2 GLY 14 15.798 2.380 -5.699 94 HA3 GLY 14 HA3 GLY 14 15.685 3.766 -6.765 95 H CYS 15 H CYS 15 15.652 4.887 -4.547 96 HA CYS 15 HA CYS 15 13.316 4.609 -2.977 97 HB2 CYS 15 HB2 CYS 15 15.447 6.753 -3.042 98 HB3 CYS 15 HB3 CYS 15 14.149 6.688 -1.866 99 H GLU 16 H GLU 16 14.134 6.175 -5.969 100 HA GLU 16 HA GLU 16 12.195 8.253 -5.678 101 HB2 GLU 16 HB2 GLU 16 13.822 7.336 -8.090 102 HB3 GLU 16 HB3 GLU 16 12.811 8.767 -8.060 103 HG2 GLU 16 HG2 GLU 16 14.880 9.699 -7.507 104 HG3 GLU 16 HG3 GLU 16 14.230 9.399 -5.908 105 HE2 GLU 16 HE2 GLU 16 15.833 7.442 -8.302 106 H ASN 17 H ASN 17 11.661 5.125 -5.719 107 HA ASN 17 HA ASN 17 10.108 4.745 -8.027 108 HB2 ASN 17 HB2 ASN 17 11.180 3.001 -6.343 109 HB3 ASN 17 HB3 ASN 17 9.708 3.226 -5.418 110 HD21 ASN 17 HD21 ASN 17 7.665 3.246 -6.884 111 HD22 ASN 17 HD22 ASN 17 7.520 1.923 -7.992 112 H CYS 18 H CYS 18 9.634 6.157 -4.819 113 HA CYS 18 HA CYS 18 6.915 6.824 -5.554 114 HB2 CYS 18 HB2 CYS 18 7.328 5.763 -2.771 115 HB3 CYS 18 HB3 CYS 18 5.843 5.943 -3.684 116 H HIS 19 H HIS 19 9.648 8.107 -5.309 117 HA HIS 19 HA HIS 19 8.796 10.256 -3.568 118 HB2 HIS 19 HB2 HIS 19 11.452 8.832 -3.246 119 HB3 HIS 19 HB3 HIS 19 11.061 10.378 -2.518 120 HD1 HIS 19 HD1 HIS 19 8.180 9.784 -1.499 121 HD2 HIS 19 HD2 HIS 19 11.439 7.181 -1.052 122 HE1 HIS 19 HE1 HIS 19 7.624 8.276 0.483 123 H ALA 20 H ALA 20 9.336 12.261 -4.396 124 HA ALA 20 HA ALA 20 10.746 12.183 -6.953 125 HB1 ALA 20 HB1 ALA 20 8.504 13.165 -6.941 126 HB2 ALA 20 HB2 ALA 20 8.974 14.282 -5.637 127 HB3 ALA 20 HB3 ALA 20 9.716 14.433 -7.248 128 H ASP 21 H ASP 21 12.858 12.746 -7.024 129 HA ASP 21 HA ASP 21 14.812 13.431 -6.336 130 HB2 ASP 21 HB2 ASP 21 13.043 15.852 -5.889 131 HB3 ASP 21 HB3 ASP 21 14.746 15.947 -5.488 132 HD2 ASP 21 HD2 ASP 21 13.739 15.397 -9.329 133 H GLY 22 H GLY 22 13.424 11.898 -4.325 134 HA2 GLY 22 HA2 GLY 22 13.479 11.384 -2.139 135 HA3 GLY 22 HA3 GLY 22 14.927 12.366 -2.042 136 H GLU 23 H GLU 23 11.390 13.043 -2.597 137 HA GLU 23 HA GLU 23 11.491 14.735 -0.246 138 HB2 GLU 23 HB2 GLU 23 11.775 15.962 -2.604 139 HB3 GLU 23 HB3 GLU 23 10.035 15.770 -2.676 140 HG2 GLU 23 HG2 GLU 23 10.107 16.748 -0.202 141 HG3 GLU 23 HG3 GLU 23 11.684 17.343 -0.681 142 HE2 GLU 23 HE2 GLU 23 11.648 19.185 -1.647 143 HA PRO 24 HA PRO 24 8.099 11.567 -0.194 144 HB2 PRO 24 HB2 PRO 24 8.419 12.478 2.682 145 HB3 PRO 24 HB3 PRO 24 8.191 10.837 1.995 146 HG2 PRO 24 HG2 PRO 24 10.653 11.715 2.812 147 HG3 PRO 24 HG3 PRO 24 10.268 10.608 1.454 148 HD2 PRO 24 HD2 PRO 24 11.089 13.532 1.444 149 HD3 PRO 24 HD3 PRO 24 11.460 12.246 0.255 150 H SER 25 H SER 25 6.072 12.328 -0.790 151 HA SER 25 HA SER 25 5.335 14.919 -0.648 152 HB2 SER 25 HB2 SER 25 4.184 12.521 -1.507 153 HB3 SER 25 HB3 SER 25 3.053 13.079 -0.290 154 HG SER 25 HG SER 25 2.335 14.512 -1.696 155 H LYS 26 H LYS 26 3.612 16.014 0.697 156 HA LYS 26 HA LYS 26 3.787 15.073 3.474 157 HB2 LYS 26 HB2 LYS 26 3.521 17.441 4.113 158 HB3 LYS 26 HB3 LYS 26 4.974 17.152 3.178 159 HG2 LYS 26 HG2 LYS 26 2.634 17.797 1.483 160 HG3 LYS 26 HG3 LYS 26 3.022 19.076 2.616 161 HD2 LYS 26 HD2 LYS 26 5.160 17.768 0.884 162 HD3 LYS 26 HD3 LYS 26 4.214 19.128 0.312 163 HE2 LYS 26 HE2 LYS 26 5.063 20.588 2.027 164 HE3 LYS 26 HE3 LYS 26 5.686 19.251 2.973 165 HZ1 LYS 26 HZ1 LYS 26 7.342 18.841 1.269 166 HZ2 LYS 26 HZ2 LYS 26 6.714 19.973 0.280 167 H ASP 27 H ASP 27 1.903 13.999 1.564 168 HA ASP 27 HA ASP 27 -0.494 14.910 2.905 169 HB2 ASP 27 HB2 ASP 27 -1.649 14.511 0.562 170 HB3 ASP 27 HB3 ASP 27 -0.887 16.052 0.903 171 HD2 ASP 27 HD2 ASP 27 -1.079 15.825 -1.496 172 H GLY 28 H GLY 28 0.637 12.677 0.242 173 HA2 GLY 28 HA2 GLY 28 0.917 10.309 0.974 174 HA3 GLY 28 HA3 GLY 28 -0.686 10.446 1.668 175 H ALA 29 H ALA 29 -1.942 12.057 -0.384 176 HA ALA 29 HA ALA 29 -2.798 10.075 -2.114 177 HB1 ALA 29 HB1 ALA 29 -2.988 13.075 -1.978 178 HB2 ALA 29 HB2 ALA 29 -3.553 12.240 -3.446 179 HB3 ALA 29 HB3 ALA 29 -4.274 11.849 -1.866 180 H TYR 30 H TYR 30 -0.247 12.516 -2.380 181 HA TYR 30 HA TYR 30 0.367 12.334 -5.100 182 HB2 TYR 30 HB2 TYR 30 1.325 13.911 -3.392 183 HB3 TYR 30 HB3 TYR 30 2.341 12.582 -2.809 184 HD1 TYR 30 HD1 TYR 30 1.431 13.547 -6.315 185 HD2 TYR 30 HD2 TYR 30 4.530 13.173 -3.364 186 HE1 TYR 30 HE1 TYR 30 3.133 14.092 -8.034 187 HE2 TYR 30 HE2 TYR 30 6.232 13.718 -5.083 188 HH TYR 30 HH TYR 30 5.807 15.182 -7.781 189 H GLU 31 H GLU 31 1.383 10.170 -2.364 190 HA GLU 31 HA GLU 31 3.114 8.686 -3.985 191 HB2 GLU 31 HB2 GLU 31 2.193 8.683 -1.234 192 HB3 GLU 31 HB3 GLU 31 2.157 7.043 -1.850 193 HG2 GLU 31 HG2 GLU 31 4.378 7.087 -1.228 194 HG3 GLU 31 HG3 GLU 31 4.573 7.764 -2.833 195 HE2 GLU 31 HE2 GLU 31 6.411 9.692 -0.655 196 H PHE 32 H PHE 32 -0.301 8.179 -2.879 197 HA PHE 32 HA PHE 32 -0.788 5.720 -3.880 198 HB2 PHE 32 HB2 PHE 32 -2.441 7.066 -2.646 199 HB3 PHE 32 HB3 PHE 32 -2.397 8.333 -3.856 200 HD1 PHE 32 HD1 PHE 32 -2.539 4.794 -4.811 201 HD2 PHE 32 HD2 PHE 32 -4.791 8.332 -4.160 202 HE1 PHE 32 HE1 PHE 32 -4.508 3.754 -5.970 203 HE2 PHE 32 HE2 PHE 32 -6.759 7.292 -5.319 204 HZ PHE 32 HZ PHE 32 -6.594 5.016 -6.210 205 H GLU 33 H GLU 33 -0.247 8.722 -5.690 206 HA GLU 33 HA GLU 33 -1.437 7.869 -8.067 207 HB2 GLU 33 HB2 GLU 33 0.099 10.144 -7.107 208 HB3 GLU 33 HB3 GLU 33 0.685 9.668 -8.688 209 HG2 GLU 33 HG2 GLU 33 -1.883 9.552 -9.325 210 HG3 GLU 33 HG3 GLU 33 -2.109 10.543 -7.897 211 HE2 GLU 33 HE2 GLU 33 -1.248 12.461 -11.061 212 H GLN 34 H GLN 34 1.891 7.607 -6.714 213 HA GLN 34 HA GLN 34 3.106 6.680 -9.007 214 HB2 GLN 34 HB2 GLN 34 3.732 6.118 -6.076 215 HB3 GLN 34 HB3 GLN 34 4.809 5.712 -7.397 216 HG2 GLN 34 HG2 GLN 34 3.949 8.466 -6.451 217 HG3 GLN 34 HG3 GLN 34 5.575 7.837 -6.625 218 HE21 GLN 34 HE21 GLN 34 4.057 10.192 -7.746 219 HE22 GLN 34 HE22 GLN 34 4.335 10.157 -9.455 220 H CYS 35 H CYS 35 1.123 5.037 -6.534 221 HA CYS 35 HA CYS 35 1.747 2.452 -7.658 222 HB2 CYS 35 HB2 CYS 35 -0.412 2.741 -5.647 223 HB3 CYS 35 HB3 CYS 35 0.846 1.530 -5.792 224 H GLN 36 H GLN 36 0.699 4.121 -9.621 225 HA GLN 36 HA GLN 36 -1.842 2.831 -10.064 226 HB2 GLN 36 HB2 GLN 36 -1.766 5.486 -9.176 227 HB3 GLN 36 HB3 GLN 36 -1.924 5.653 -10.913 228 HG2 GLN 36 HG2 GLN 36 -4.032 4.690 -10.963 229 HG3 GLN 36 HG3 GLN 36 -3.680 3.582 -9.652 230 HE21 GLN 36 HE21 GLN 36 -3.376 7.116 -9.896 231 HE22 GLN 36 HE22 GLN 36 -4.428 7.522 -8.582 232 H SER 37 H SER 37 0.280 1.867 -11.293 233 HA SER 37 HA SER 37 -0.135 2.665 -13.988 234 HB2 SER 37 HB2 SER 37 1.997 3.909 -12.619 235 HB3 SER 37 HB3 SER 37 2.764 2.631 -13.541 236 HG SER 37 HG SER 37 2.682 4.351 -14.951 237 H CYS 38 H CYS 38 2.641 1.102 -12.230 238 HA CYS 38 HA CYS 38 2.674 -1.095 -13.957 239 HB2 CYS 38 HB2 CYS 38 3.821 -1.096 -11.159 240 HB3 CYS 38 HB3 CYS 38 4.381 -1.980 -12.564 241 H HIS 39 H HIS 39 0.543 -0.154 -11.433 242 HA HIS 39 HA HIS 39 -0.325 -2.936 -11.114 243 HB2 HIS 39 HB2 HIS 39 -0.443 -0.640 -9.142 244 HB3 HIS 39 HB3 HIS 39 -1.291 -2.158 -8.921 245 HD1 HIS 39 HD1 HIS 39 0.559 -4.355 -9.261 246 HD2 HIS 39 HD2 HIS 39 1.933 -0.662 -7.822 247 HE1 HIS 39 HE1 HIS 39 2.756 -4.831 -8.052 248 H GLY 40 H GLY 40 -1.990 0.080 -10.108 249 HA2 GLY 40 HA2 GLY 40 -3.536 0.810 -12.135 250 HA3 GLY 40 HA3 GLY 40 -4.291 -0.714 -11.712 251 H SER 41 H SER 41 -6.231 0.547 -11.130 252 HA SER 41 HA SER 41 -5.877 2.047 -8.664 253 HB2 SER 41 HB2 SER 41 -6.990 3.394 -10.284 254 HB3 SER 41 HB3 SER 41 -7.999 2.070 -10.830 255 HG SER 41 HG SER 41 -8.181 3.001 -8.114 256 H LEU 42 H LEU 42 -7.306 1.611 -6.835 257 HA LEU 42 HA LEU 42 -7.722 -1.080 -6.341 258 HB2 LEU 42 HB2 LEU 42 -9.084 1.268 -5.017 259 HB3 LEU 42 HB3 LEU 42 -8.892 -0.343 -4.355 260 HG LEU 42 HG LEU 42 -6.383 1.050 -5.124 261 HD11 LEU 42 HD11 LEU 42 -6.308 2.520 -3.258 262 HD12 LEU 42 HD12 LEU 42 -7.833 2.846 -4.117 263 HD13 LEU 42 HD13 LEU 42 -7.845 1.893 -2.614 264 HD21 LEU 42 HD21 LEU 42 -7.262 -1.090 -3.374 265 HD22 LEU 42 HD22 LEU 42 -5.636 -0.708 -3.989 266 HD23 LEU 42 HD23 LEU 42 -6.237 0.081 -2.511 267 H ALA 43 H ALA 43 -9.844 1.420 -7.768 268 HA ALA 43 HA ALA 43 -12.210 -0.108 -7.611 269 HB1 ALA 43 HB1 ALA 43 -13.062 1.842 -8.332 270 HB2 ALA 43 HB2 ALA 43 -11.402 2.481 -8.409 271 HB3 ALA 43 HB3 ALA 43 -12.138 1.739 -9.850 272 H GLU 44 H GLU 44 -9.321 -0.608 -9.323 273 HA GLU 44 HA GLU 44 -10.785 -2.088 -11.367 274 HB2 GLU 44 HB2 GLU 44 -8.768 -0.131 -11.677 275 HB3 GLU 44 HB3 GLU 44 -7.957 -1.654 -11.982 276 HG2 GLU 44 HG2 GLU 44 -9.613 -2.269 -13.687 277 HG3 GLU 44 HG3 GLU 44 -10.599 -0.874 -13.297 278 HE2 GLU 44 HE2 GLU 44 -8.661 -1.127 -16.084 279 H MET 45 H MET 45 -9.965 -2.824 -8.518 280 HA MET 45 HA MET 45 -8.235 -5.061 -9.244 281 HB2 MET 45 HB2 MET 45 -8.621 -3.597 -6.574 282 HB3 MET 45 HB3 MET 45 -7.658 -5.051 -6.743 283 HG2 MET 45 HG2 MET 45 -6.444 -3.657 -8.677 284 HG3 MET 45 HG3 MET 45 -7.106 -2.278 -7.821 285 HE1 MET 45 HE1 MET 45 -4.103 -1.559 -6.097 286 HE2 MET 45 HE2 MET 45 -3.651 -2.420 -7.589 287 HE3 MET 45 HE3 MET 45 -5.083 -1.363 -7.570 288 H ASP 46 H ASP 46 -8.590 -6.729 -7.054 289 HA ASP 46 HA ASP 46 -10.815 -8.104 -7.681 290 HB2 ASP 46 HB2 ASP 46 -10.441 -8.523 -4.892 291 HB3 ASP 46 HB3 ASP 46 -9.803 -9.492 -6.206 292 HD2 ASP 46 HD2 ASP 46 -7.159 -8.344 -3.992 293 H ASP 47 H ASP 47 -12.567 -8.629 -5.694 294 HA ASP 47 HA ASP 47 -14.003 -6.183 -5.468 295 HB2 ASP 47 HB2 ASP 47 -15.701 -7.693 -4.300 296 HB3 ASP 47 HB3 ASP 47 -15.303 -8.142 -5.946 297 HD2 ASP 47 HD2 ASP 47 -16.331 -9.928 -4.018 298 H ASN 48 H ASN 48 -11.391 -7.231 -3.840 299 HA ASN 48 HA ASN 48 -12.469 -6.793 -1.186 300 HB2 ASN 48 HB2 ASN 48 -9.629 -7.605 -1.994 301 HB3 ASN 48 HB3 ASN 48 -10.306 -7.672 -0.379 302 HD21 ASN 48 HD21 ASN 48 -9.207 -9.891 -1.324 303 HD22 ASN 48 HD22 ASN 48 -10.382 -11.094 -1.740 304 H HIS 49 H HIS 49 -10.186 -5.571 -3.675 305 HA HIS 49 HA HIS 49 -9.177 -3.515 -1.946 306 HB2 HIS 49 HB2 HIS 49 -8.708 -4.347 -4.799 307 HB3 HIS 49 HB3 HIS 49 -8.145 -2.785 -4.237 308 HD1 HIS 49 HD1 HIS 49 -7.671 -6.502 -3.571 309 HD2 HIS 49 HD2 HIS 49 -5.825 -2.836 -2.707 310 HE1 HIS 49 HE1 HIS 49 -5.418 -7.067 -2.514 311 H LYS 50 H LYS 50 -11.711 -3.961 -4.390 312 HA LYS 50 HA LYS 50 -12.134 -1.321 -5.096 313 HB2 LYS 50 HB2 LYS 50 -13.824 -3.799 -5.020 314 HB3 LYS 50 HB3 LYS 50 -14.591 -2.259 -5.351 315 HG2 LYS 50 HG2 LYS 50 -12.641 -1.925 -7.095 316 HG3 LYS 50 HG3 LYS 50 -12.413 -3.655 -6.939 317 HD2 LYS 50 HD2 LYS 50 -15.202 -2.593 -7.434 318 HD3 LYS 50 HD3 LYS 50 -14.075 -2.658 -8.774 319 HE2 LYS 50 HE2 LYS 50 -13.648 -5.144 -7.962 320 HE3 LYS 50 HE3 LYS 50 -15.172 -4.951 -7.119 321 HZ1 LYS 50 HZ1 LYS 50 -14.933 -4.321 -10.002 322 HZ2 LYS 50 HZ2 LYS 50 -15.285 -5.827 -9.491 323 HA PRO 51 HA PRO 51 -15.633 -1.511 -1.461 324 HB2 PRO 51 HB2 PRO 51 -13.696 -3.095 0.267 325 HB3 PRO 51 HB3 PRO 51 -15.490 -3.060 0.256 326 HG2 PRO 51 HG2 PRO 51 -13.855 -5.002 -1.073 327 HG3 PRO 51 HG3 PRO 51 -15.578 -4.622 -1.398 328 HD2 PRO 51 HD2 PRO 51 -13.214 -4.122 -3.070 329 HD3 PRO 51 HD3 PRO 51 -14.929 -3.779 -3.449 330 H HIS 52 H HIS 52 -12.013 -1.531 -1.018 331 HA HIS 52 HA HIS 52 -12.242 0.677 0.809 332 HB2 HIS 52 HB2 HIS 52 -9.855 -0.787 -0.348 333 HB3 HIS 52 HB3 HIS 52 -9.737 0.525 0.808 334 HD1 HIS 52 HD1 HIS 52 -9.751 -3.040 0.706 335 HD2 HIS 52 HD2 HIS 52 -11.435 -0.185 3.277 336 HE1 HIS 52 HE1 HIS 52 -10.247 -4.254 2.895 337 H ASP 53 H ASP 53 -11.024 0.040 -2.537 338 HA ASP 53 HA ASP 53 -9.835 2.077 -3.400 339 HB2 ASP 53 HB2 ASP 53 -10.930 0.519 -4.943 340 HB3 ASP 53 HB3 ASP 53 -12.511 1.161 -4.545 341 HD2 ASP 53 HD2 ASP 53 -10.162 3.262 -7.030 342 H GLY 54 H GLY 54 -9.849 4.238 -2.752 343 HA2 GLY 54 HA2 GLY 54 -10.698 6.372 -2.726 344 HA3 GLY 54 HA3 GLY 54 -12.318 5.755 -2.982 345 H LEU 55 H LEU 55 -9.776 5.063 -0.471 346 HA LEU 55 HA LEU 55 -11.376 6.319 1.551 347 HB2 LEU 55 HB2 LEU 55 -11.203 3.332 1.320 348 HB3 LEU 55 HB3 LEU 55 -11.340 4.097 2.890 349 HG LEU 55 HG LEU 55 -13.319 4.291 0.605 350 HD11 LEU 55 HD11 LEU 55 -14.620 3.334 2.852 351 HD12 LEU 55 HD12 LEU 55 -14.068 2.374 1.459 352 HD13 LEU 55 HD13 LEU 55 -13.040 2.517 2.905 353 HD21 LEU 55 HD21 LEU 55 -13.400 6.412 1.620 354 HD22 LEU 55 HD22 LEU 55 -14.737 5.491 2.348 355 HD23 LEU 55 HD23 LEU 55 -13.225 5.733 3.256 356 H LEU 56 H LEU 56 -8.892 3.669 1.374 357 HA LEU 56 HA LEU 56 -7.070 5.529 2.734 358 HB2 LEU 56 HB2 LEU 56 -6.289 3.839 4.141 359 HB3 LEU 56 HB3 LEU 56 -8.038 3.750 4.210 360 HG LEU 56 HG LEU 56 -6.740 1.972 2.220 361 HD11 LEU 56 HD11 LEU 56 -6.493 0.349 4.355 362 HD12 LEU 56 HD12 LEU 56 -5.153 1.311 3.685 363 HD13 LEU 56 HD13 LEU 56 -6.051 1.903 5.103 364 HD21 LEU 56 HD21 LEU 56 -9.104 1.939 4.050 365 HD22 LEU 56 HD22 LEU 56 -8.993 1.584 2.310 366 HD23 LEU 56 HD23 LEU 56 -8.420 0.390 3.499 367 H MET 57 H MET 57 -4.796 5.271 2.206 368 HA MET 57 HA MET 57 -4.492 4.625 -0.534 369 HB2 MET 57 HB2 MET 57 -2.920 5.878 1.677 370 HB3 MET 57 HB3 MET 57 -1.927 5.029 0.509 371 HG2 MET 57 HG2 MET 57 -2.048 6.974 -0.696 372 HG3 MET 57 HG3 MET 57 -3.628 6.392 -1.181 373 HE1 MET 57 HE1 MET 57 -5.838 8.146 -0.713 374 HE2 MET 57 HE2 MET 57 -5.018 9.726 -0.696 375 HE3 MET 57 HE3 MET 57 -4.428 8.429 -1.762 376 H CYS 58 H CYS 58 -2.414 3.301 -1.214 377 HA CYS 58 HA CYS 58 -2.852 0.673 -0.470 378 HB2 CYS 58 HB2 CYS 58 -0.260 1.685 -1.627 379 HB3 CYS 58 HB3 CYS 58 -1.000 0.110 -1.830 380 H ALA 59 H ALA 59 0.151 2.654 0.129 381 HA ALA 59 HA ALA 59 1.430 1.090 1.873 382 HB1 ALA 59 HB1 ALA 59 2.308 3.218 1.105 383 HB2 ALA 59 HB2 ALA 59 1.041 4.106 1.984 384 HB3 ALA 59 HB3 ALA 59 2.296 3.222 2.885 385 H ASP 60 H ASP 60 -1.176 3.457 2.774 386 HA ASP 60 HA ASP 60 -1.282 3.261 5.369 387 HB2 ASP 60 HB2 ASP 60 -3.716 2.803 3.581 388 HB3 ASP 60 HB3 ASP 60 -3.772 3.388 5.231 389 HD2 ASP 60 HD2 ASP 60 -4.081 6.425 3.730 390 H CYS 61 H CYS 61 -2.040 0.656 3.046 391 HA CYS 61 HA CYS 61 -2.777 -1.091 5.272 392 HB2 CYS 61 HB2 CYS 61 -3.746 -0.822 2.538 393 HB3 CYS 61 HB3 CYS 61 -3.235 -2.465 2.868 394 H HIS 62 H HIS 62 -0.927 -1.034 2.131 395 HA HIS 62 HA HIS 62 0.663 -3.256 3.016 396 HB2 HIS 62 HB2 HIS 62 0.718 -1.560 0.506 397 HB3 HIS 62 HB3 HIS 62 1.791 -2.915 0.795 398 HD1 HIS 62 HD1 HIS 62 0.261 -5.244 1.519 399 HD2 HIS 62 HD2 HIS 62 -1.450 -2.316 -0.950 400 HE1 HIS 62 HE1 HIS 62 -1.665 -6.381 0.291 401 H ALA 63 H ALA 63 1.087 -1.576 4.990 402 HA ALA 63 HA ALA 63 2.694 0.550 4.885 403 HB1 ALA 63 HB1 ALA 63 2.079 -0.107 7.024 404 HB2 ALA 63 HB2 ALA 63 2.518 -1.809 6.744 405 HB3 ALA 63 HB3 ALA 63 3.791 -0.594 7.011 406 HA PRO 64 HA PRO 64 5.988 -1.197 2.330 407 HB2 PRO 64 HB2 PRO 64 6.624 1.715 2.083 408 HB3 PRO 64 HB3 PRO 64 6.265 0.489 0.824 409 HG2 PRO 64 HG2 PRO 64 4.232 2.375 1.343 410 HG3 PRO 64 HG3 PRO 64 4.063 0.634 0.946 411 HD2 PRO 64 HD2 PRO 64 4.213 1.987 3.707 412 HD3 PRO 64 HD3 PRO 64 2.916 0.931 3.071 413 H HIS 65 H HIS 65 6.512 1.797 4.388 414 HA HIS 65 HA HIS 65 9.127 0.816 5.038 415 HB2 HIS 65 HB2 HIS 65 7.558 3.288 5.793 416 HB3 HIS 65 HB3 HIS 65 9.128 2.928 6.484 417 HD1 HIS 65 HD1 HIS 65 10.889 2.157 4.229 418 HD2 HIS 65 HD2 HIS 65 7.912 5.078 3.778 419 HE1 HIS 65 HE1 HIS 65 11.578 3.576 2.224 420 H GLU 66 H GLU 66 7.728 -1.235 5.843 421 HA GLU 66 HA GLU 66 8.209 -1.440 8.514 422 HB2 GLU 66 HB2 GLU 66 5.969 0.143 8.253 423 HB3 GLU 66 HB3 GLU 66 5.235 -1.443 8.386 424 HG2 GLU 66 HG2 GLU 66 6.186 -1.848 10.533 425 HG3 GLU 66 HG3 GLU 66 7.421 -0.622 10.324 426 HE2 GLU 66 HE2 GLU 66 3.691 0.706 11.095 427 H ALA 67 H ALA 67 5.488 -2.362 6.273 428 HA ALA 67 HA ALA 67 5.528 -5.065 7.073 429 HB1 ALA 67 HB1 ALA 67 4.510 -4.222 4.380 430 HB2 ALA 67 HB2 ALA 67 3.763 -5.280 5.601 431 HB3 ALA 67 HB3 ALA 67 3.745 -3.514 5.822 432 H LYS 68 H LYS 68 6.068 -6.929 5.611 433 HA LYS 68 HA LYS 68 8.343 -6.263 3.879 434 HB2 LYS 68 HB2 LYS 68 8.217 -8.689 5.685 435 HB3 LYS 68 HB3 LYS 68 9.570 -8.144 4.715 436 HG2 LYS 68 HG2 LYS 68 10.230 -6.627 6.287 437 HG3 LYS 68 HG3 LYS 68 8.600 -6.022 6.512 438 HD2 LYS 68 HD2 LYS 68 8.479 -8.576 7.659 439 HD3 LYS 68 HD3 LYS 68 10.090 -8.033 8.087 440 HE2 LYS 68 HE2 LYS 68 8.994 -7.016 9.835 441 HE3 LYS 68 HE3 LYS 68 8.706 -5.752 8.656 442 HZ1 LYS 68 HZ1 LYS 68 6.666 -6.588 9.832 443 HZ2 LYS 68 HZ2 LYS 68 6.543 -6.641 8.209 444 H VAL 69 H VAL 69 8.318 -7.197 1.870 445 HA VAL 69 HA VAL 69 6.114 -8.017 0.656 446 HB VAL 69 HB VAL 69 8.996 -8.694 0.310 447 HG11 VAL 69 HG11 VAL 69 8.051 -10.792 -0.339 448 HG12 VAL 69 HG12 VAL 69 6.738 -9.995 -1.240 449 HG13 VAL 69 HG13 VAL 69 8.413 -9.895 -1.833 450 HG21 VAL 69 HG21 VAL 69 7.053 -7.471 -1.661 451 HG22 VAL 69 HG22 VAL 69 7.861 -6.516 -0.395 452 HG23 VAL 69 HG23 VAL 69 8.829 -7.353 -1.633 453 H GLY 70 H GLY 70 4.624 -9.606 0.860 454 HA2 GLY 70 HA2 GLY 70 4.126 -11.927 0.948 455 HA3 GLY 70 HA3 GLY 70 5.510 -12.181 1.993 456 H GLU 71 H GLU 71 4.549 -9.395 3.283 457 HA GLU 71 HA GLU 71 3.248 -10.663 5.426 458 HB2 GLU 71 HB2 GLU 71 4.329 -7.998 4.789 459 HB3 GLU 71 HB3 GLU 71 2.874 -7.906 5.762 460 HG2 GLU 71 HG2 GLU 71 4.733 -10.016 6.684 461 HG3 GLU 71 HG3 GLU 71 5.453 -8.419 6.719 462 HE2 GLU 71 HE2 GLU 71 4.493 -9.127 9.643 463 H LYS 72 H LYS 72 1.065 -10.706 6.020 464 HA LYS 72 HA LYS 72 -0.762 -9.591 4.009 465 HB2 LYS 72 HB2 LYS 72 -0.819 -12.128 5.625 466 HB3 LYS 72 HB3 LYS 72 -2.318 -11.412 5.067 467 HG2 LYS 72 HG2 LYS 72 -0.472 -11.363 2.857 468 HG3 LYS 72 HG3 LYS 72 -0.398 -12.966 3.562 469 HD2 LYS 72 HD2 LYS 72 -3.171 -12.005 3.379 470 HD3 LYS 72 HD3 LYS 72 -2.386 -11.986 1.812 471 HE2 LYS 72 HE2 LYS 72 -1.867 -14.443 3.423 472 HE3 LYS 72 HE3 LYS 72 -3.542 -14.221 2.956 473 HZ1 LYS 72 HZ1 LYS 72 -1.274 -14.116 1.039 474 HZ2 LYS 72 HZ2 LYS 72 -2.220 -15.422 1.261 475 HA PRO 73 HA PRO 73 -1.378 -6.530 7.226 476 HB2 PRO 73 HB2 PRO 73 -3.641 -6.108 5.224 477 HB3 PRO 73 HB3 PRO 73 -2.633 -4.915 6.105 478 HG2 PRO 73 HG2 PRO 73 -1.954 -5.561 3.540 479 HG3 PRO 73 HG3 PRO 73 -0.659 -5.346 4.763 480 HD2 PRO 73 HD2 PRO 73 -1.882 -7.876 3.609 481 HD3 PRO 73 HD3 PRO 73 -0.198 -7.568 4.129 482 H THR 74 H THR 74 -3.029 -6.255 8.902 483 HA THR 74 HA THR 74 -4.958 -8.480 8.910 484 HB THR 74 HB THR 74 -4.757 -8.245 11.416 485 HG1 THR 74 HG1 THR 74 -2.869 -6.780 11.983 486 HG21 THR 74 HG21 THR 74 -2.069 -8.578 11.410 487 HG22 THR 74 HG22 THR 74 -3.164 -9.860 10.840 488 HG23 THR 74 HG23 THR 74 -2.360 -8.790 9.667 489 H CYS 75 H CYS 75 -7.095 -8.082 8.986 490 HA CYS 75 HA CYS 75 -7.970 -5.460 8.528 491 HB2 CYS 75 HB2 CYS 75 -9.824 -7.605 9.489 492 HB3 CYS 75 HB3 CYS 75 -10.094 -6.345 8.301 493 H ASP 76 H ASP 76 -7.532 -7.519 11.402 494 HA ASP 76 HA ASP 76 -9.185 -6.210 13.147 495 HB2 ASP 76 HB2 ASP 76 -7.784 -8.358 13.472 496 HB3 ASP 76 HB3 ASP 76 -6.427 -7.312 13.839 497 HD2 ASP 76 HD2 ASP 76 -8.469 -5.519 15.366 498 H THR 77 H THR 77 -6.343 -5.126 11.495 499 HA THR 77 HA THR 77 -5.606 -3.188 13.539 500 HB THR 77 HB THR 77 -4.473 -3.780 10.753 501 HG1 THR 77 HG1 THR 77 -4.403 -5.544 12.374 502 HG21 THR 77 HG21 THR 77 -2.869 -2.208 11.201 503 HG22 THR 77 HG22 THR 77 -3.931 -1.623 12.505 504 HG23 THR 77 HG23 THR 77 -2.660 -2.818 12.860 505 H CYS 78 H CYS 78 -8.305 -3.135 12.232 506 HA CYS 78 HA CYS 78 -8.378 -0.360 11.842 507 HB2 CYS 78 HB2 CYS 78 -7.966 -1.965 9.422 508 HB3 CYS 78 HB3 CYS 78 -9.419 -0.988 9.342 509 H HIS 79 H HIS 79 -9.868 -3.555 10.976 510 HA HIS 79 HA HIS 79 -12.475 -2.469 11.649 511 HB2 HIS 79 HB2 HIS 79 -11.619 -5.096 10.406 512 HB3 HIS 79 HB3 HIS 79 -13.281 -4.683 10.779 513 HD1 HIS 79 HD1 HIS 79 -14.062 -2.248 9.576 514 HD2 HIS 79 HD2 HIS 79 -10.907 -4.417 7.862 515 HE1 HIS 79 HE1 HIS 79 -13.843 -1.415 7.174 516 H ASP 80 H ASP 80 -13.945 -3.927 13.023 517 HA ASP 80 HA ASP 80 -13.157 -4.042 15.521 518 HB2 ASP 80 HB2 ASP 80 -15.128 -5.549 13.901 519 HB3 ASP 80 HB3 ASP 80 -14.664 -6.395 15.364 520 HD2 ASP 80 HD2 ASP 80 -17.239 -3.632 15.118 521 H ASP 81 H ASP 81 -12.906 -6.808 13.159 522 HA ASP 81 HA ASP 81 -10.473 -7.645 13.595 523 HB2 ASP 81 HB2 ASP 81 -10.847 -9.561 15.353 524 HB3 ASP 81 HB3 ASP 81 -10.507 -7.939 15.923 525 HD2 ASP 81 HD2 ASP 81 -13.029 -8.273 18.038 526 H GLY 82 H GLY 82 -13.805 -9.020 14.135 527 HA2 GLY 82 HA2 GLY 82 -13.733 -11.473 13.126 528 HA3 GLY 82 HA3 GLY 82 -15.033 -10.357 12.757 529 H ARG 83 H ARG 83 -13.661 -8.452 11.125 530 HA ARG 83 HA ARG 83 -13.970 -9.442 8.687 531 HB2 ARG 83 HB2 ARG 83 -12.750 -7.112 9.849 532 HB3 ARG 83 HB3 ARG 83 -11.660 -7.674 8.596 533 HG2 ARG 83 HG2 ARG 83 -13.448 -6.041 7.803 534 HG3 ARG 83 HG3 ARG 83 -13.370 -7.540 6.899 535 HD2 ARG 83 HD2 ARG 83 -15.527 -8.015 7.425 536 HD3 ARG 83 HD3 ARG 83 -15.159 -7.941 9.137 537 HE ARG 83 HE ARG 83 -16.075 -5.790 9.217 538 H THR 84 H THR 84 -12.926 -10.898 7.338 539 HA THR 84 HA THR 84 -10.152 -11.599 8.035 540 HB THR 84 HB THR 84 -10.903 -13.961 7.264 541 HG1 THR 84 HG1 THR 84 -12.993 -13.883 6.545 542 HG21 THR 84 HG21 THR 84 -12.635 -13.922 9.470 543 HG22 THR 84 HG22 THR 84 -10.882 -14.216 9.547 544 HG23 THR 84 HG23 THR 84 -11.521 -12.575 9.807 545 H ALA 85 H ALA 85 -8.847 -12.419 6.247 546 HA ALA 85 HA ALA 85 -9.340 -10.845 3.911 547 HB1 ALA 85 HB1 ALA 85 -7.185 -12.873 4.629 548 HB2 ALA 85 HB2 ALA 85 -7.158 -11.815 3.197 549 HB3 ALA 85 HB3 ALA 85 -7.087 -11.106 4.828 550 H LYS 86 H LYS 86 -9.873 -11.559 1.821 551 HA LYS 86 HA LYS 86 -11.074 -14.222 1.786 552 HB2 LYS 86 HB2 LYS 86 -12.062 -11.761 1.023 553 HB3 LYS 86 HB3 LYS 86 -11.549 -12.443 -0.507 554 HG2 LYS 86 HG2 LYS 86 -12.766 -14.640 0.452 555 HG3 LYS 86 HG3 LYS 86 -13.627 -13.466 1.428 556 HD2 LYS 86 HD2 LYS 86 -13.483 -12.527 -1.329 557 HD3 LYS 86 HD3 LYS 86 -14.120 -14.159 -1.298 558 HE2 LYS 86 HE2 LYS 86 -15.187 -12.086 0.646 559 HE3 LYS 86 HE3 LYS 86 -15.770 -12.114 -1.007 560 HZ1 LYS 86 HZ1 LYS 86 -15.731 -14.666 0.427 561 HZ2 LYS 86 HZ2 LYS 86 -16.880 -13.596 0.859 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 10.234 -11.695 8.680 2 HA ALA 1 HA ALA 1 12.386 -11.453 8.137 3 HB1 ALA 1 HB1 ALA 1 13.311 -13.847 7.346 4 HB2 ALA 1 HB2 ALA 1 12.778 -13.543 9.017 5 HB3 ALA 1 HB3 ALA 1 11.686 -14.352 7.868 6 H ASP 2 H ASP 2 11.042 -10.202 6.187 7 HA ASP 2 HA ASP 2 12.570 -10.979 3.853 8 HB2 ASP 2 HB2 ASP 2 9.776 -11.368 4.075 9 HB3 ASP 2 HB3 ASP 2 9.930 -9.889 3.148 10 HD2 ASP 2 HD2 ASP 2 9.012 -12.326 1.734 11 H GLU 3 H GLU 3 12.923 -9.090 2.378 12 HA GLU 3 HA GLU 3 13.338 -6.740 3.767 13 HB2 GLU 3 HB2 GLU 3 14.054 -5.821 1.652 14 HB3 GLU 3 HB3 GLU 3 14.536 -7.505 1.678 15 HG2 GLU 3 HG2 GLU 3 12.176 -7.905 0.512 16 HG3 GLU 3 HG3 GLU 3 12.293 -6.202 0.115 17 HE2 GLU 3 HE2 GLU 3 14.605 -8.972 -0.081 18 H THR 4 H THR 4 12.203 -4.773 3.917 19 HA THR 4 HA THR 4 9.459 -4.835 3.930 20 HB THR 4 HB THR 4 9.732 -2.306 3.996 21 HG1 THR 4 HG1 THR 4 12.073 -1.694 3.803 22 HG21 THR 4 HG21 THR 4 10.765 -4.184 5.843 23 HG22 THR 4 HG22 THR 4 12.106 -3.046 5.570 24 HG23 THR 4 HG23 THR 4 10.530 -2.445 6.138 25 H LEU 5 H LEU 5 7.851 -3.684 2.608 26 HA LEU 5 HA LEU 5 7.951 -4.567 -0.025 27 HB2 LEU 5 HB2 LEU 5 6.007 -3.819 1.605 28 HB3 LEU 5 HB3 LEU 5 6.200 -2.288 0.775 29 HG LEU 5 HG LEU 5 6.094 -4.097 -1.317 30 HD11 LEU 5 HD11 LEU 5 4.677 -5.819 -0.937 31 HD12 LEU 5 HD12 LEU 5 5.310 -5.663 0.720 32 HD13 LEU 5 HD13 LEU 5 3.744 -4.932 0.293 33 HD21 LEU 5 HD21 LEU 5 3.623 -3.252 -1.410 34 HD22 LEU 5 HD22 LEU 5 4.122 -2.231 -0.039 35 HD23 LEU 5 HD23 LEU 5 4.970 -2.104 -1.599 36 H ALA 6 H ALA 6 8.693 -1.370 1.462 37 HA ALA 6 HA ALA 6 9.006 0.056 -0.893 38 HB1 ALA 6 HB1 ALA 6 10.271 1.617 0.496 39 HB2 ALA 6 HB2 ALA 6 8.888 0.985 1.422 40 HB3 ALA 6 HB3 ALA 6 10.526 0.358 1.728 41 H GLU 7 H GLU 7 11.349 -1.954 0.992 42 HA GLU 7 HA GLU 7 13.546 -1.357 -0.559 43 HB2 GLU 7 HB2 GLU 7 12.778 -3.419 1.425 44 HB3 GLU 7 HB3 GLU 7 14.000 -3.961 0.293 45 HG2 GLU 7 HG2 GLU 7 15.440 -2.043 0.836 46 HG3 GLU 7 HG3 GLU 7 14.188 -1.332 1.835 47 HE2 GLU 7 HE2 GLU 7 14.658 -3.579 4.459 48 H PHE 8 H PHE 8 11.243 -4.163 -0.767 49 HA PHE 8 HA PHE 8 12.359 -5.480 -2.865 50 HB2 PHE 8 HB2 PHE 8 10.356 -6.171 -1.516 51 HB3 PHE 8 HB3 PHE 8 9.426 -4.845 -2.186 52 HD1 PHE 8 HD1 PHE 8 11.393 -7.789 -3.384 53 HD2 PHE 8 HD2 PHE 8 7.974 -5.331 -3.906 54 HE1 PHE 8 HE1 PHE 8 10.604 -9.282 -5.241 55 HE2 PHE 8 HE2 PHE 8 7.184 -6.823 -5.763 56 HZ PHE 8 HZ PHE 8 8.508 -8.781 -6.409 57 H HIS 9 H HIS 9 10.283 -2.542 -2.927 58 HA HIS 9 HA HIS 9 10.040 -2.576 -5.755 59 HB2 HIS 9 HB2 HIS 9 9.323 -0.688 -3.539 60 HB3 HIS 9 HB3 HIS 9 9.342 -0.086 -5.185 61 HD1 HIS 9 HD1 HIS 9 7.522 -2.516 -2.934 62 HD2 HIS 9 HD2 HIS 9 7.249 -0.993 -6.833 63 HE1 HIS 9 HE1 HIS 9 5.244 -3.242 -3.828 64 H VAL 10 H VAL 10 12.238 -1.085 -3.352 65 HA VAL 10 HA VAL 10 13.474 0.749 -5.018 66 HB VAL 10 HB VAL 10 14.247 -0.776 -2.558 67 HG11 VAL 10 HG11 VAL 10 16.315 -0.584 -3.912 68 HG12 VAL 10 HG12 VAL 10 16.076 1.178 -3.993 69 HG13 VAL 10 HG13 VAL 10 16.377 0.391 -2.424 70 HG21 VAL 10 HG21 VAL 10 13.835 2.168 -3.179 71 HG22 VAL 10 HG22 VAL 10 12.718 1.095 -2.301 72 HG23 VAL 10 HG23 VAL 10 14.297 1.509 -1.591 73 H GLU 11 H GLU 11 14.440 -2.672 -4.253 74 HA GLU 11 HA GLU 11 16.608 -2.762 -5.891 75 HB2 GLU 11 HB2 GLU 11 15.925 -4.516 -4.241 76 HB3 GLU 11 HB3 GLU 11 14.638 -5.020 -5.318 77 HG2 GLU 11 HG2 GLU 11 16.942 -4.996 -6.956 78 HG3 GLU 11 HG3 GLU 11 17.507 -5.646 -5.430 79 HE2 GLU 11 HE2 GLU 11 17.620 -7.744 -6.278 80 H MET 12 H MET 12 13.245 -2.503 -6.741 81 HA MET 12 HA MET 12 13.811 -3.451 -9.429 82 HB2 MET 12 HB2 MET 12 11.473 -3.383 -7.636 83 HB3 MET 12 HB3 MET 12 11.077 -2.666 -9.185 84 HG2 MET 12 HG2 MET 12 11.983 -4.715 -10.342 85 HG3 MET 12 HG3 MET 12 12.313 -5.433 -8.778 86 HE1 MET 12 HE1 MET 12 8.677 -5.429 -7.212 87 HE2 MET 12 HE2 MET 12 10.418 -5.286 -6.872 88 HE3 MET 12 HE3 MET 12 9.492 -3.856 -7.389 89 H GLY 13 H GLY 13 14.618 -0.771 -8.065 90 HA2 GLY 13 HA2 GLY 13 14.464 0.878 -10.283 91 HA3 GLY 13 HA3 GLY 13 13.076 1.278 -9.290 92 H GLY 14 H GLY 14 13.477 1.816 -6.938 93 HA2 GLY 14 HA2 GLY 14 15.850 2.196 -5.691 94 HA3 GLY 14 HA3 GLY 14 15.743 3.592 -6.746 95 H CYS 15 H CYS 15 15.700 4.758 -4.582 96 HA CYS 15 HA CYS 15 13.365 4.463 -2.991 97 HB2 CYS 15 HB2 CYS 15 15.539 6.564 -3.031 98 HB3 CYS 15 HB3 CYS 15 14.223 6.540 -1.874 99 H GLU 16 H GLU 16 14.146 5.954 -6.002 100 HA GLU 16 HA GLU 16 12.274 8.099 -5.696 101 HB2 GLU 16 HB2 GLU 16 13.878 7.125 -8.101 102 HB3 GLU 16 HB3 GLU 16 12.866 8.556 -8.109 103 HG2 GLU 16 HG2 GLU 16 14.921 9.516 -7.571 104 HG3 GLU 16 HG3 GLU 16 14.287 9.230 -5.962 105 HE2 GLU 16 HE2 GLU 16 17.522 7.602 -7.339 106 H ASN 17 H ASN 17 11.643 5.005 -5.673 107 HA ASN 17 HA ASN 17 10.066 4.626 -7.970 108 HB2 ASN 17 HB2 ASN 17 11.033 3.028 -5.864 109 HB3 ASN 17 HB3 ASN 17 9.304 3.044 -5.580 110 HD21 ASN 17 HD21 ASN 17 7.874 2.309 -7.185 111 HD22 ASN 17 HD22 ASN 17 8.371 1.216 -8.433 112 H CYS 18 H CYS 18 9.672 6.147 -4.814 113 HA CYS 18 HA CYS 18 6.961 6.854 -5.521 114 HB2 CYS 18 HB2 CYS 18 7.395 5.798 -2.733 115 HB3 CYS 18 HB3 CYS 18 5.892 6.059 -3.597 116 H HIS 19 H HIS 19 9.719 8.075 -5.334 117 HA HIS 19 HA HIS 19 8.946 10.273 -3.621 118 HB2 HIS 19 HB2 HIS 19 11.563 8.783 -3.286 119 HB3 HIS 19 HB3 HIS 19 11.217 10.351 -2.583 120 HD1 HIS 19 HD1 HIS 19 8.344 9.878 -1.517 121 HD2 HIS 19 HD2 HIS 19 11.498 7.146 -1.087 122 HE1 HIS 19 HE1 HIS 19 7.753 8.413 0.487 123 H ALA 20 H ALA 20 9.384 12.204 -4.606 124 HA ALA 20 HA ALA 20 10.855 12.046 -7.115 125 HB1 ALA 20 HB1 ALA 20 9.256 14.360 -5.961 126 HB2 ALA 20 HB2 ALA 20 9.748 14.110 -7.653 127 HB3 ALA 20 HB3 ALA 20 8.528 13.046 -6.915 128 H ASP 21 H ASP 21 12.951 12.666 -7.240 129 HA ASP 21 HA ASP 21 14.903 13.389 -6.596 130 HB2 ASP 21 HB2 ASP 21 13.488 15.886 -5.581 131 HB3 ASP 21 HB3 ASP 21 15.098 15.779 -6.265 132 HD2 ASP 21 HD2 ASP 21 14.137 14.666 -9.140 133 H GLY 22 H GLY 22 13.512 11.832 -4.566 134 HA2 GLY 22 HA2 GLY 22 13.608 11.296 -2.386 135 HA3 GLY 22 HA3 GLY 22 15.085 12.238 -2.319 136 H GLU 23 H GLU 23 11.554 13.016 -2.773 137 HA GLU 23 HA GLU 23 11.761 14.676 -0.407 138 HB2 GLU 23 HB2 GLU 23 11.993 15.897 -2.797 139 HB3 GLU 23 HB3 GLU 23 10.245 15.802 -2.747 140 HG2 GLU 23 HG2 GLU 23 10.220 16.947 -0.541 141 HG3 GLU 23 HG3 GLU 23 11.972 16.988 -0.523 142 HE2 GLU 23 HE2 GLU 23 12.614 17.797 -2.916 143 HA PRO 24 HA PRO 24 8.285 11.646 -0.200 144 HB2 PRO 24 HB2 PRO 24 8.637 12.676 2.632 145 HB3 PRO 24 HB3 PRO 24 8.370 11.011 2.019 146 HG2 PRO 24 HG2 PRO 24 10.854 11.860 2.787 147 HG3 PRO 24 HG3 PRO 24 10.456 10.720 1.461 148 HD2 PRO 24 HD2 PRO 24 11.289 13.642 1.367 149 HD3 PRO 24 HD3 PRO 24 11.675 12.317 0.227 150 H SER 25 H SER 25 6.314 12.471 -0.897 151 HA SER 25 HA SER 25 5.653 15.111 -0.700 152 HB2 SER 25 HB2 SER 25 3.820 14.477 -1.893 153 HB3 SER 25 HB3 SER 25 4.582 12.899 -1.921 154 HG SER 25 HG SER 25 2.261 13.051 -1.148 155 H LYS 26 H LYS 26 4.097 16.276 0.650 156 HA LYS 26 HA LYS 26 3.844 15.051 3.305 157 HB2 LYS 26 HB2 LYS 26 3.843 17.308 4.200 158 HB3 LYS 26 HB3 LYS 26 5.280 17.036 3.235 159 HG2 LYS 26 HG2 LYS 26 4.665 18.573 1.637 160 HG3 LYS 26 HG3 LYS 26 2.976 18.108 1.688 161 HD2 LYS 26 HD2 LYS 26 2.524 19.485 3.589 162 HD3 LYS 26 HD3 LYS 26 4.219 19.618 4.012 163 HE2 LYS 26 HE2 LYS 26 4.189 21.612 2.909 164 HE3 LYS 26 HE3 LYS 26 4.185 20.670 1.432 165 HZ1 LYS 26 HZ1 LYS 26 1.725 20.696 1.522 166 HZ2 LYS 26 HZ2 LYS 26 1.760 21.628 2.856 167 H ASP 27 H ASP 27 2.029 14.135 1.465 168 HA ASP 27 HA ASP 27 -0.360 15.407 2.473 169 HB2 ASP 27 HB2 ASP 27 -1.321 14.975 0.044 170 HB3 ASP 27 HB3 ASP 27 -0.445 16.453 0.388 171 HD2 ASP 27 HD2 ASP 27 2.465 15.253 -0.464 172 H GLY 28 H GLY 28 0.740 12.903 0.047 173 HA2 GLY 28 HA2 GLY 28 0.694 10.568 0.881 174 HA3 GLY 28 HA3 GLY 28 -0.914 10.913 1.485 175 H ALA 29 H ALA 29 -1.637 12.670 -0.844 176 HA ALA 29 HA ALA 29 -2.652 10.620 -2.511 177 HB1 ALA 29 HB1 ALA 29 -3.830 12.367 -3.561 178 HB2 ALA 29 HB2 ALA 29 -3.616 12.959 -1.896 179 HB3 ALA 29 HB3 ALA 29 -2.566 13.566 -3.199 180 H TYR 30 H TYR 30 -0.229 13.221 -2.934 181 HA TYR 30 HA TYR 30 0.556 12.821 -5.539 182 HB2 TYR 30 HB2 TYR 30 1.425 14.530 -3.935 183 HB3 TYR 30 HB3 TYR 30 2.412 13.268 -3.179 184 HD1 TYR 30 HD1 TYR 30 1.723 13.847 -6.812 185 HD2 TYR 30 HD2 TYR 30 4.618 13.909 -3.640 186 HE1 TYR 30 HE1 TYR 30 3.524 14.265 -8.465 187 HE2 TYR 30 HE2 TYR 30 6.419 14.328 -5.292 188 HH TYR 30 HH TYR 30 5.811 14.368 -8.797 189 H GLU 31 H GLU 31 1.671 10.919 -2.634 190 HA GLU 31 HA GLU 31 3.368 9.330 -4.207 191 HB2 GLU 31 HB2 GLU 31 2.211 9.007 -1.412 192 HB3 GLU 31 HB3 GLU 31 3.303 7.828 -2.108 193 HG2 GLU 31 HG2 GLU 31 5.138 9.225 -1.960 194 HG3 GLU 31 HG3 GLU 31 4.210 10.665 -2.330 195 HE2 GLU 31 HE2 GLU 31 2.600 11.147 -0.381 196 H PHE 32 H PHE 32 0.081 8.807 -2.758 197 HA PHE 32 HA PHE 32 -0.381 6.252 -3.480 198 HB2 PHE 32 HB2 PHE 32 -2.000 7.623 -2.249 199 HB3 PHE 32 HB3 PHE 32 -2.082 8.802 -3.543 200 HD1 PHE 32 HD1 PHE 32 -2.549 5.095 -3.318 201 HD2 PHE 32 HD2 PHE 32 -4.121 8.824 -4.594 202 HE1 PHE 32 HE1 PHE 32 -4.561 3.926 -4.257 203 HE2 PHE 32 HE2 PHE 32 -6.133 7.655 -5.533 204 HZ PHE 32 HZ PHE 32 -6.329 5.219 -5.353 205 H GLU 33 H GLU 33 0.010 9.025 -5.619 206 HA GLU 33 HA GLU 33 -1.377 7.920 -7.794 207 HB2 GLU 33 HB2 GLU 33 0.128 10.325 -7.188 208 HB3 GLU 33 HB3 GLU 33 0.644 9.704 -8.743 209 HG2 GLU 33 HG2 GLU 33 -1.825 9.518 -9.390 210 HG3 GLU 33 HG3 GLU 33 -2.218 10.349 -7.899 211 HE2 GLU 33 HE2 GLU 33 -0.653 12.292 -10.999 212 H GLN 34 H GLN 34 2.073 7.938 -6.735 213 HA GLN 34 HA GLN 34 3.223 6.886 -8.944 214 HB2 GLN 34 HB2 GLN 34 3.841 6.367 -6.006 215 HB3 GLN 34 HB3 GLN 34 4.903 5.873 -7.310 216 HG2 GLN 34 HG2 GLN 34 4.135 8.693 -6.481 217 HG3 GLN 34 HG3 GLN 34 5.740 7.999 -6.602 218 HE21 GLN 34 HE21 GLN 34 4.349 10.362 -7.843 219 HE22 GLN 34 HE22 GLN 34 4.643 10.240 -9.546 220 H CYS 35 H CYS 35 1.218 5.268 -6.476 221 HA CYS 35 HA CYS 35 1.828 2.672 -7.581 222 HB2 CYS 35 HB2 CYS 35 -0.347 3.011 -5.590 223 HB3 CYS 35 HB3 CYS 35 0.877 1.765 -5.726 224 H GLN 36 H GLN 36 0.820 4.333 -9.569 225 HA GLN 36 HA GLN 36 -1.725 3.062 -10.037 226 HB2 GLN 36 HB2 GLN 36 -1.630 5.730 -9.165 227 HB3 GLN 36 HB3 GLN 36 -1.798 5.873 -10.903 228 HG2 GLN 36 HG2 GLN 36 -3.919 4.964 -10.918 229 HG3 GLN 36 HG3 GLN 36 -3.552 3.811 -9.650 230 HE21 GLN 36 HE21 GLN 36 -3.557 7.359 -10.016 231 HE22 GLN 36 HE22 GLN 36 -4.470 7.724 -8.590 232 H SER 37 H SER 37 0.415 2.090 -11.235 233 HA SER 37 HA SER 37 0.047 2.916 -13.936 234 HB2 SER 37 HB2 SER 37 2.596 3.108 -14.289 235 HB3 SER 37 HB3 SER 37 1.792 4.471 -13.537 236 HG SER 37 HG SER 37 3.268 4.224 -12.003 237 H CYS 38 H CYS 38 2.746 1.236 -12.169 238 HA CYS 38 HA CYS 38 2.710 -0.946 -13.917 239 HB2 CYS 38 HB2 CYS 38 3.842 -1.018 -11.114 240 HB3 CYS 38 HB3 CYS 38 4.381 -1.900 -12.530 241 H HIS 39 H HIS 39 0.607 0.047 -11.387 242 HA HIS 39 HA HIS 39 -0.357 -2.706 -11.091 243 HB2 HIS 39 HB2 HIS 39 -0.425 -0.410 -9.117 244 HB3 HIS 39 HB3 HIS 39 -1.316 -1.904 -8.906 245 HD1 HIS 39 HD1 HIS 39 0.486 -4.148 -9.252 246 HD2 HIS 39 HD2 HIS 39 1.926 -0.503 -7.756 247 HE1 HIS 39 HE1 HIS 39 2.654 -4.687 -8.019 248 H GLY 40 H GLY 40 -1.942 0.353 -10.090 249 HA2 GLY 40 HA2 GLY 40 -3.440 1.183 -12.085 250 HA3 GLY 40 HA3 GLY 40 -4.223 -0.354 -11.779 251 H SER 41 H SER 41 -6.194 0.613 -11.054 252 HA SER 41 HA SER 41 -5.908 2.103 -8.566 253 HB2 SER 41 HB2 SER 41 -7.082 3.499 -10.062 254 HB3 SER 41 HB3 SER 41 -7.955 2.164 -10.789 255 HG SER 41 HG SER 41 -8.348 2.928 -8.031 256 H LEU 42 H LEU 42 -7.492 1.611 -6.821 257 HA LEU 42 HA LEU 42 -7.755 -1.139 -6.410 258 HB2 LEU 42 HB2 LEU 42 -9.256 1.071 -5.007 259 HB3 LEU 42 HB3 LEU 42 -8.915 -0.538 -4.400 260 HG LEU 42 HG LEU 42 -6.529 1.050 -5.141 261 HD11 LEU 42 HD11 LEU 42 -6.574 2.590 -3.373 262 HD12 LEU 42 HD12 LEU 42 -8.184 2.712 -4.122 263 HD13 LEU 42 HD13 LEU 42 -7.975 1.806 -2.604 264 HD21 LEU 42 HD21 LEU 42 -7.288 -1.110 -3.342 265 HD22 LEU 42 HD22 LEU 42 -5.694 -0.670 -4.001 266 HD23 LEU 42 HD23 LEU 42 -6.301 0.129 -2.531 267 H ALA 43 H ALA 43 -9.786 1.248 -8.028 268 HA ALA 43 HA ALA 43 -12.185 -0.264 -7.861 269 HB1 ALA 43 HB1 ALA 43 -12.341 1.422 -10.091 270 HB2 ALA 43 HB2 ALA 43 -12.853 1.812 -8.431 271 HB3 ALA 43 HB3 ALA 43 -11.222 2.259 -8.988 272 H GLU 44 H GLU 44 -9.246 -0.893 -9.367 273 HA GLU 44 HA GLU 44 -10.627 -2.440 -11.420 274 HB2 GLU 44 HB2 GLU 44 -8.664 -0.429 -11.789 275 HB3 GLU 44 HB3 GLU 44 -7.817 -1.941 -12.044 276 HG2 GLU 44 HG2 GLU 44 -10.521 -1.712 -13.322 277 HG3 GLU 44 HG3 GLU 44 -9.264 -0.689 -13.990 278 HE2 GLU 44 HE2 GLU 44 -7.627 -3.007 -15.584 279 H MET 45 H MET 45 -9.934 -3.113 -8.580 280 HA MET 45 HA MET 45 -8.076 -5.285 -9.180 281 HB2 MET 45 HB2 MET 45 -8.533 -3.749 -6.561 282 HB3 MET 45 HB3 MET 45 -7.497 -5.157 -6.694 283 HG2 MET 45 HG2 MET 45 -6.350 -3.757 -8.660 284 HG3 MET 45 HG3 MET 45 -7.089 -2.389 -7.852 285 HE1 MET 45 HE1 MET 45 -4.176 -1.441 -6.081 286 HE2 MET 45 HE2 MET 45 -3.677 -2.253 -7.585 287 HE3 MET 45 HE3 MET 45 -5.185 -1.308 -7.542 288 H ASP 46 H ASP 46 -8.405 -6.863 -6.914 289 HA ASP 46 HA ASP 46 -10.568 -8.343 -7.501 290 HB2 ASP 46 HB2 ASP 46 -10.244 -8.600 -4.688 291 HB3 ASP 46 HB3 ASP 46 -9.536 -9.610 -5.933 292 HD2 ASP 46 HD2 ASP 46 -7.480 -8.594 -6.825 293 H ASP 47 H ASP 47 -12.355 -8.822 -5.543 294 HA ASP 47 HA ASP 47 -13.871 -6.416 -5.470 295 HB2 ASP 47 HB2 ASP 47 -15.551 -7.923 -4.272 296 HB3 ASP 47 HB3 ASP 47 -15.096 -8.437 -5.884 297 HD2 ASP 47 HD2 ASP 47 -15.097 -11.415 -4.198 298 H ASN 48 H ASN 48 -11.276 -7.331 -3.719 299 HA ASN 48 HA ASN 48 -12.439 -6.770 -1.124 300 HB2 ASN 48 HB2 ASN 48 -9.564 -7.582 -1.797 301 HB3 ASN 48 HB3 ASN 48 -10.299 -7.583 -0.205 302 HD21 ASN 48 HD21 ASN 48 -9.166 -9.833 -0.907 303 HD22 ASN 48 HD22 ASN 48 -10.298 -11.070 -1.340 304 H HIS 49 H HIS 49 -10.206 -5.602 -3.658 305 HA HIS 49 HA HIS 49 -9.214 -3.468 -2.003 306 HB2 HIS 49 HB2 HIS 49 -8.705 -4.418 -4.812 307 HB3 HIS 49 HB3 HIS 49 -8.170 -2.826 -4.312 308 HD1 HIS 49 HD1 HIS 49 -7.662 -6.503 -3.459 309 HD2 HIS 49 HD2 HIS 49 -5.854 -2.778 -2.782 310 HE1 HIS 49 HE1 HIS 49 -5.409 -6.990 -2.365 311 H LYS 50 H LYS 50 -11.650 -4.042 -4.543 312 HA LYS 50 HA LYS 50 -12.126 -1.452 -5.333 313 HB2 LYS 50 HB2 LYS 50 -13.741 -3.968 -5.209 314 HB3 LYS 50 HB3 LYS 50 -14.577 -2.467 -5.553 315 HG2 LYS 50 HG2 LYS 50 -12.615 -2.080 -7.297 316 HG3 LYS 50 HG3 LYS 50 -12.375 -3.810 -7.146 317 HD2 LYS 50 HD2 LYS 50 -15.124 -2.636 -7.722 318 HD3 LYS 50 HD3 LYS 50 -13.986 -2.969 -9.012 319 HE2 LYS 50 HE2 LYS 50 -13.837 -5.362 -8.230 320 HE3 LYS 50 HE3 LYS 50 -15.031 -5.014 -6.995 321 HZ1 LYS 50 HZ1 LYS 50 -16.653 -5.213 -8.521 322 HZ2 LYS 50 HZ2 LYS 50 -15.960 -4.152 -9.544 323 HA PRO 51 HA PRO 51 -15.703 -1.502 -1.786 324 HB2 PRO 51 HB2 PRO 51 -13.859 -3.059 0.058 325 HB3 PRO 51 HB3 PRO 51 -15.650 -3.017 -0.039 326 HG2 PRO 51 HG2 PRO 51 -13.967 -4.948 -1.189 327 HG3 PRO 51 HG3 PRO 51 -15.675 -4.666 -1.660 328 HD2 PRO 51 HD2 PRO 51 -13.244 -4.188 -3.208 329 HD3 PRO 51 HD3 PRO 51 -14.934 -3.852 -3.691 330 H HIS 52 H HIS 52 -12.126 -1.656 -1.021 331 HA HIS 52 HA HIS 52 -12.347 0.587 0.706 332 HB2 HIS 52 HB2 HIS 52 -9.982 -0.886 -0.478 333 HB3 HIS 52 HB3 HIS 52 -9.819 0.460 0.633 334 HD1 HIS 52 HD1 HIS 52 -9.796 -3.086 0.668 335 HD2 HIS 52 HD2 HIS 52 -11.528 -0.175 3.143 336 HE1 HIS 52 HE1 HIS 52 -10.262 -4.231 2.900 337 H ASP 53 H ASP 53 -11.186 0.014 -2.669 338 HA ASP 53 HA ASP 53 -10.008 2.076 -3.506 339 HB2 ASP 53 HB2 ASP 53 -11.241 0.443 -4.971 340 HB3 ASP 53 HB3 ASP 53 -12.725 1.332 -4.691 341 HD2 ASP 53 HD2 ASP 53 -12.089 3.401 -7.341 342 H GLY 54 H GLY 54 -10.036 4.192 -2.705 343 HA2 GLY 54 HA2 GLY 54 -10.893 6.330 -2.651 344 HA3 GLY 54 HA3 GLY 54 -12.508 5.714 -2.941 345 H LEU 55 H LEU 55 -9.990 4.939 -0.431 346 HA LEU 55 HA LEU 55 -11.642 6.110 1.613 347 HB2 LEU 55 HB2 LEU 55 -11.372 3.145 1.273 348 HB3 LEU 55 HB3 LEU 55 -11.495 3.833 2.880 349 HG LEU 55 HG LEU 55 -13.529 4.160 0.656 350 HD11 LEU 55 HD11 LEU 55 -13.183 2.171 2.805 351 HD12 LEU 55 HD12 LEU 55 -14.814 2.872 2.682 352 HD13 LEU 55 HD13 LEU 55 -14.081 2.073 1.271 353 HD21 LEU 55 HD21 LEU 55 -14.354 5.886 1.774 354 HD22 LEU 55 HD22 LEU 55 -14.607 4.839 3.191 355 HD23 LEU 55 HD23 LEU 55 -13.078 5.730 3.006 356 H LEU 56 H LEU 56 -9.021 3.605 1.307 357 HA LEU 56 HA LEU 56 -7.288 5.491 2.739 358 HB2 LEU 56 HB2 LEU 56 -6.548 3.903 4.213 359 HB3 LEU 56 HB3 LEU 56 -8.264 3.562 4.118 360 HG LEU 56 HG LEU 56 -6.662 2.025 2.189 361 HD11 LEU 56 HD11 LEU 56 -5.656 2.264 4.870 362 HD12 LEU 56 HD12 LEU 56 -6.246 0.608 4.595 363 HD13 LEU 56 HD13 LEU 56 -5.028 1.310 3.505 364 HD21 LEU 56 HD21 LEU 56 -8.158 0.437 4.046 365 HD22 LEU 56 HD22 LEU 56 -9.138 1.839 3.553 366 HD23 LEU 56 HD23 LEU 56 -8.466 0.745 2.320 367 H MET 57 H MET 57 -4.983 5.252 2.254 368 HA MET 57 HA MET 57 -4.647 4.681 -0.503 369 HB2 MET 57 HB2 MET 57 -2.957 5.736 1.785 370 HB3 MET 57 HB3 MET 57 -2.125 5.190 0.343 371 HG2 MET 57 HG2 MET 57 -3.358 6.774 -1.058 372 HG3 MET 57 HG3 MET 57 -4.423 7.200 0.266 373 HE1 MET 57 HE1 MET 57 -4.360 8.994 1.274 374 HE2 MET 57 HE2 MET 57 -3.197 8.858 2.614 375 HE3 MET 57 HE3 MET 57 -3.066 10.202 1.455 376 H CYS 58 H CYS 58 -2.519 3.419 -1.176 377 HA CYS 58 HA CYS 58 -2.922 0.763 -0.471 378 HB2 CYS 58 HB2 CYS 58 -0.364 1.835 -1.649 379 HB3 CYS 58 HB3 CYS 58 -1.079 0.250 -1.860 380 H ALA 59 H ALA 59 0.089 2.744 0.076 381 HA ALA 59 HA ALA 59 1.386 1.190 1.812 382 HB1 ALA 59 HB1 ALA 59 1.009 4.208 1.882 383 HB2 ALA 59 HB2 ALA 59 2.253 3.341 2.814 384 HB3 ALA 59 HB3 ALA 59 2.280 3.296 1.034 385 H ASP 60 H ASP 60 -1.179 3.588 2.756 386 HA ASP 60 HA ASP 60 -1.242 3.384 5.352 387 HB2 ASP 60 HB2 ASP 60 -3.635 3.083 3.481 388 HB3 ASP 60 HB3 ASP 60 -3.802 3.401 5.196 389 HD2 ASP 60 HD2 ASP 60 -4.185 6.467 3.550 390 H CYS 61 H CYS 61 -2.086 0.803 3.032 391 HA CYS 61 HA CYS 61 -2.824 -0.939 5.260 392 HB2 CYS 61 HB2 CYS 61 -3.849 -0.622 2.568 393 HB3 CYS 61 HB3 CYS 61 -3.306 -2.270 2.815 394 H HIS 62 H HIS 62 -0.906 -0.768 2.174 395 HA HIS 62 HA HIS 62 0.629 -3.064 3.017 396 HB2 HIS 62 HB2 HIS 62 0.662 -1.370 0.507 397 HB3 HIS 62 HB3 HIS 62 1.754 -2.712 0.788 398 HD1 HIS 62 HD1 HIS 62 0.236 -5.049 1.554 399 HD2 HIS 62 HD2 HIS 62 -1.489 -2.164 -0.954 400 HE1 HIS 62 HE1 HIS 62 -1.681 -6.214 0.338 401 H ALA 63 H ALA 63 1.055 -1.346 4.981 402 HA ALA 63 HA ALA 63 2.693 0.752 4.852 403 HB1 ALA 63 HB1 ALA 63 3.214 -1.526 6.786 404 HB2 ALA 63 HB2 ALA 63 3.351 0.225 7.074 405 HB3 ALA 63 HB3 ALA 63 1.747 -0.523 6.878 406 HA PRO 64 HA PRO 64 5.962 -1.068 2.314 407 HB2 PRO 64 HB2 PRO 64 6.654 1.836 2.083 408 HB3 PRO 64 HB3 PRO 64 6.295 0.618 0.816 409 HG2 PRO 64 HG2 PRO 64 4.294 2.523 1.306 410 HG3 PRO 64 HG3 PRO 64 4.090 0.786 0.908 411 HD2 PRO 64 HD2 PRO 64 4.219 2.147 3.664 412 HD3 PRO 64 HD3 PRO 64 2.924 1.096 3.015 413 H HIS 65 H HIS 65 6.521 1.896 4.407 414 HA HIS 65 HA HIS 65 9.114 0.849 5.066 415 HB2 HIS 65 HB2 HIS 65 7.624 3.370 5.823 416 HB3 HIS 65 HB3 HIS 65 9.200 2.967 6.476 417 HD1 HIS 65 HD1 HIS 65 10.860 2.121 4.155 418 HD2 HIS 65 HD2 HIS 65 7.999 5.170 3.820 419 HE1 HIS 65 HE1 HIS 65 11.545 3.524 2.138 420 H GLU 66 H GLU 66 7.675 -1.156 5.881 421 HA GLU 66 HA GLU 66 8.115 -1.346 8.558 422 HB2 GLU 66 HB2 GLU 66 5.778 0.194 8.112 423 HB3 GLU 66 HB3 GLU 66 5.193 -1.389 8.583 424 HG2 GLU 66 HG2 GLU 66 7.482 -0.322 10.193 425 HG3 GLU 66 HG3 GLU 66 5.964 0.535 10.371 426 HE2 GLU 66 HE2 GLU 66 4.059 -1.207 11.330 427 H ALA 67 H ALA 67 5.338 -2.228 6.366 428 HA ALA 67 HA ALA 67 5.223 -4.885 7.169 429 HB1 ALA 67 HB1 ALA 67 4.528 -4.008 4.370 430 HB2 ALA 67 HB2 ALA 67 3.650 -5.105 5.463 431 HB3 ALA 67 HB3 ALA 67 3.619 -3.349 5.750 432 H LYS 68 H LYS 68 5.512 -6.679 5.244 433 HA LYS 68 HA LYS 68 8.068 -6.262 3.930 434 HB2 LYS 68 HB2 LYS 68 7.814 -8.791 5.499 435 HB3 LYS 68 HB3 LYS 68 9.248 -7.914 5.004 436 HG2 LYS 68 HG2 LYS 68 8.587 -6.068 6.645 437 HG3 LYS 68 HG3 LYS 68 7.304 -7.115 7.218 438 HD2 LYS 68 HD2 LYS 68 8.744 -8.348 8.474 439 HD3 LYS 68 HD3 LYS 68 9.841 -8.572 7.126 440 HE2 LYS 68 HE2 LYS 68 10.427 -5.989 7.635 441 HE3 LYS 68 HE3 LYS 68 9.832 -6.410 9.229 442 HZ1 LYS 68 HZ1 LYS 68 12.343 -6.926 8.322 443 HZ2 LYS 68 HZ2 LYS 68 11.667 -7.644 9.618 444 H VAL 69 H VAL 69 8.163 -7.279 1.955 445 HA VAL 69 HA VAL 69 5.976 -7.984 0.603 446 HB VAL 69 HB VAL 69 8.845 -8.777 0.439 447 HG11 VAL 69 HG11 VAL 69 8.097 -10.824 -0.341 448 HG12 VAL 69 HG12 VAL 69 6.596 -10.144 -1.013 449 HG13 VAL 69 HG13 VAL 69 8.146 -9.873 -1.844 450 HG21 VAL 69 HG21 VAL 69 7.930 -6.567 -0.354 451 HG22 VAL 69 HG22 VAL 69 8.804 -7.503 -1.589 452 HG23 VAL 69 HG23 VAL 69 7.025 -7.460 -1.599 453 H GLY 70 H GLY 70 4.480 -9.600 0.557 454 HA2 GLY 70 HA2 GLY 70 3.617 -11.692 0.828 455 HA3 GLY 70 HA3 GLY 70 5.136 -12.249 1.500 456 H GLU 71 H GLU 71 3.663 -9.285 2.767 457 HA GLU 71 HA GLU 71 2.998 -10.801 5.167 458 HB2 GLU 71 HB2 GLU 71 4.834 -9.187 5.501 459 HB3 GLU 71 HB3 GLU 71 3.846 -7.887 4.866 460 HG2 GLU 71 HG2 GLU 71 2.787 -7.589 6.859 461 HG3 GLU 71 HG3 GLU 71 2.439 -9.299 7.015 462 HE2 GLU 71 HE2 GLU 71 3.856 -9.455 9.547 463 H LYS 72 H LYS 72 0.836 -11.313 4.486 464 HA LYS 72 HA LYS 72 -0.931 -9.422 3.447 465 HB2 LYS 72 HB2 LYS 72 -2.661 -11.073 3.979 466 HB3 LYS 72 HB3 LYS 72 -1.271 -11.818 3.215 467 HG2 LYS 72 HG2 LYS 72 -0.852 -11.793 6.087 468 HG3 LYS 72 HG3 LYS 72 -2.438 -12.459 5.756 469 HD2 LYS 72 HD2 LYS 72 -1.566 -14.378 4.891 470 HD3 LYS 72 HD3 LYS 72 -0.444 -13.502 3.869 471 HE2 LYS 72 HE2 LYS 72 0.892 -14.801 5.409 472 HE3 LYS 72 HE3 LYS 72 1.026 -13.129 5.918 473 HZ1 LYS 72 HZ1 LYS 72 -0.370 -15.325 7.243 474 HZ2 LYS 72 HZ2 LYS 72 0.463 -14.091 7.904 475 HA PRO 73 HA PRO 73 -1.228 -6.693 6.929 476 HB2 PRO 73 HB2 PRO 73 -3.655 -5.973 5.233 477 HB3 PRO 73 HB3 PRO 73 -2.462 -4.922 6.065 478 HG2 PRO 73 HG2 PRO 73 -2.263 -5.427 3.357 479 HG3 PRO 73 HG3 PRO 73 -0.833 -5.351 4.437 480 HD2 PRO 73 HD2 PRO 73 -2.349 -7.761 3.336 481 HD3 PRO 73 HD3 PRO 73 -0.585 -7.532 3.532 482 H THR 74 H THR 74 -2.796 -6.387 8.725 483 HA THR 74 HA THR 74 -4.711 -8.621 8.816 484 HB THR 74 HB THR 74 -4.398 -8.351 11.315 485 HG1 THR 74 HG1 THR 74 -3.715 -6.003 10.851 486 HG21 THR 74 HG21 THR 74 -2.869 -9.957 10.245 487 HG22 THR 74 HG22 THR 74 -1.837 -8.631 9.657 488 HG23 THR 74 HG23 THR 74 -1.934 -8.977 11.400 489 H CYS 75 H CYS 75 -6.851 -8.271 9.036 490 HA CYS 75 HA CYS 75 -7.768 -5.625 8.656 491 HB2 CYS 75 HB2 CYS 75 -9.563 -7.873 9.498 492 HB3 CYS 75 HB3 CYS 75 -9.889 -6.534 8.416 493 H ASP 76 H ASP 76 -7.602 -7.977 11.387 494 HA ASP 76 HA ASP 76 -9.144 -6.902 13.231 495 HB2 ASP 76 HB2 ASP 76 -6.943 -7.356 14.789 496 HB3 ASP 76 HB3 ASP 76 -7.981 -8.631 14.182 497 HD2 ASP 76 HD2 ASP 76 -4.441 -8.554 14.050 498 H THR 77 H THR 77 -6.188 -5.511 11.839 499 HA THR 77 HA THR 77 -5.562 -3.649 13.832 500 HB THR 77 HB THR 77 -5.175 -3.529 10.794 501 HG1 THR 77 HG1 THR 77 -3.011 -4.426 11.805 502 HG21 THR 77 HG21 THR 77 -4.548 -1.547 12.609 503 HG22 THR 77 HG22 THR 77 -3.100 -2.576 12.724 504 HG23 THR 77 HG23 THR 77 -3.582 -1.890 11.154 505 H CYS 78 H CYS 78 -7.827 -3.477 11.038 506 HA CYS 78 HA CYS 78 -8.702 -0.901 12.117 507 HB2 CYS 78 HB2 CYS 78 -8.659 -2.032 9.331 508 HB3 CYS 78 HB3 CYS 78 -9.868 -0.835 9.751 509 H HIS 79 H HIS 79 -9.839 -4.000 10.584 510 HA HIS 79 HA HIS 79 -12.450 -3.556 11.775 511 HB2 HIS 79 HB2 HIS 79 -11.561 -5.760 9.898 512 HB3 HIS 79 HB3 HIS 79 -13.207 -5.355 10.344 513 HD1 HIS 79 HD1 HIS 79 -13.506 -2.440 9.836 514 HD2 HIS 79 HD2 HIS 79 -11.151 -4.873 7.361 515 HE1 HIS 79 HE1 HIS 79 -13.322 -1.221 7.602 516 H ASP 80 H ASP 80 -12.165 -3.960 13.983 517 HA ASP 80 HA ASP 80 -10.830 -6.398 14.710 518 HB2 ASP 80 HB2 ASP 80 -10.927 -3.953 15.898 519 HB3 ASP 80 HB3 ASP 80 -12.280 -4.700 16.726 520 HD2 ASP 80 HD2 ASP 80 -10.166 -5.950 19.021 521 H ASP 81 H ASP 81 -13.387 -6.504 13.183 522 HA ASP 81 HA ASP 81 -15.227 -7.412 15.236 523 HB2 ASP 81 HB2 ASP 81 -16.879 -7.459 13.299 524 HB3 ASP 81 HB3 ASP 81 -16.264 -5.870 13.707 525 HD2 ASP 81 HD2 ASP 81 -16.974 -5.744 10.970 526 H GLY 82 H GLY 82 -12.683 -8.741 13.922 527 HA2 GLY 82 HA2 GLY 82 -12.280 -11.034 13.851 528 HA3 GLY 82 HA3 GLY 82 -13.958 -11.335 13.444 529 H ARG 83 H ARG 83 -13.556 -8.826 11.487 530 HA ARG 83 HA ARG 83 -13.641 -10.016 9.177 531 HB2 ARG 83 HB2 ARG 83 -12.918 -7.398 10.085 532 HB3 ARG 83 HB3 ARG 83 -11.744 -7.820 8.854 533 HG2 ARG 83 HG2 ARG 83 -13.835 -6.680 7.966 534 HG3 ARG 83 HG3 ARG 83 -13.465 -8.213 7.201 535 HD2 ARG 83 HD2 ARG 83 -15.466 -9.071 7.848 536 HD3 ARG 83 HD3 ARG 83 -15.110 -8.734 9.530 537 HE ARG 83 HE ARG 83 -16.316 -6.699 9.383 538 H THR 84 H THR 84 -12.363 -11.294 7.839 539 HA THR 84 HA THR 84 -9.477 -11.350 8.415 540 HB THR 84 HB THR 84 -9.742 -13.887 7.916 541 HG1 THR 84 HG1 THR 84 -11.907 -14.571 7.881 542 HG21 THR 84 HG21 THR 84 -11.387 -13.794 10.272 543 HG22 THR 84 HG22 THR 84 -9.630 -14.067 10.189 544 HG23 THR 84 HG23 THR 84 -10.267 -12.414 10.362 545 H ALA 85 H ALA 85 -8.131 -12.075 6.610 546 HA ALA 85 HA ALA 85 -8.908 -10.783 4.238 547 HB1 ALA 85 HB1 ALA 85 -6.778 -11.776 3.376 548 HB2 ALA 85 HB2 ALA 85 -6.581 -10.954 4.942 549 HB3 ALA 85 HB3 ALA 85 -6.655 -12.731 4.873 550 H LYS 86 H LYS 86 -9.397 -11.668 2.148 551 HA LYS 86 HA LYS 86 -9.800 -14.481 1.880 552 HB2 LYS 86 HB2 LYS 86 -12.169 -14.533 1.664 553 HB3 LYS 86 HB3 LYS 86 -11.808 -13.785 3.207 554 HG2 LYS 86 HG2 LYS 86 -13.331 -12.225 2.441 555 HG3 LYS 86 HG3 LYS 86 -11.889 -11.532 1.724 556 HD2 LYS 86 HD2 LYS 86 -12.548 -12.042 -0.410 557 HD3 LYS 86 HD3 LYS 86 -13.112 -13.639 0.040 558 HE2 LYS 86 HE2 LYS 86 -14.795 -11.483 1.169 559 HE3 LYS 86 HE3 LYS 86 -14.736 -11.443 -0.582 560 HZ1 LYS 86 HZ1 LYS 86 -16.450 -12.946 -0.093 561 HZ2 LYS 86 HZ2 LYS 86 -15.210 -13.954 -0.403 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 15.950 -14.270 4.038 2 HA ALA 1 HA ALA 1 14.028 -13.032 2.196 3 HB1 ALA 1 HB1 ALA 1 12.488 -14.647 3.662 4 HB2 ALA 1 HB2 ALA 1 13.412 -15.257 2.269 5 HB3 ALA 1 HB3 ALA 1 14.035 -15.489 3.920 6 H ASP 2 H ASP 2 14.237 -10.890 3.056 7 HA ASP 2 HA ASP 2 12.477 -10.315 5.065 8 HB2 ASP 2 HB2 ASP 2 14.822 -11.286 6.201 9 HB3 ASP 2 HB3 ASP 2 15.121 -9.559 6.199 10 HD2 ASP 2 HD2 ASP 2 12.184 -11.153 8.379 11 H GLU 3 H GLU 3 11.952 -8.644 3.533 12 HA GLU 3 HA GLU 3 13.651 -6.362 3.683 13 HB2 GLU 3 HB2 GLU 3 13.812 -6.077 1.191 14 HB3 GLU 3 HB3 GLU 3 14.735 -7.438 1.798 15 HG2 GLU 3 HG2 GLU 3 12.007 -8.282 1.182 16 HG3 GLU 3 HG3 GLU 3 12.711 -7.478 -0.207 17 HE2 GLU 3 HE2 GLU 3 12.493 -10.521 -0.151 18 H THR 4 H THR 4 12.284 -4.664 4.014 19 HA THR 4 HA THR 4 9.546 -4.869 3.964 20 HB THR 4 HB THR 4 9.687 -2.329 4.027 21 HG1 THR 4 HG1 THR 4 11.477 -1.693 2.875 22 HG21 THR 4 HG21 THR 4 10.729 -2.230 6.125 23 HG22 THR 4 HG22 THR 4 10.469 -3.987 6.010 24 HG23 THR 4 HG23 THR 4 12.063 -3.296 5.622 25 H LEU 5 H LEU 5 7.954 -3.641 2.602 26 HA LEU 5 HA LEU 5 8.133 -4.581 -0.028 27 HB2 LEU 5 HB2 LEU 5 6.124 -3.905 1.551 28 HB3 LEU 5 HB3 LEU 5 6.286 -2.363 0.734 29 HG LEU 5 HG LEU 5 6.301 -4.219 -1.349 30 HD11 LEU 5 HD11 LEU 5 4.900 -5.344 0.950 31 HD12 LEU 5 HD12 LEU 5 3.854 -5.179 -0.481 32 HD13 LEU 5 HD13 LEU 5 5.374 -6.098 -0.591 33 HD21 LEU 5 HD21 LEU 5 3.876 -3.348 -1.623 34 HD22 LEU 5 HD22 LEU 5 4.253 -2.334 -0.210 35 HD23 LEU 5 HD23 LEU 5 5.226 -2.191 -1.693 36 H ALA 6 H ALA 6 8.721 -1.356 1.470 37 HA ALA 6 HA ALA 6 9.028 0.096 -0.857 38 HB1 ALA 6 HB1 ALA 6 10.505 0.377 1.792 39 HB2 ALA 6 HB2 ALA 6 10.307 1.647 0.561 40 HB3 ALA 6 HB3 ALA 6 8.887 1.026 1.436 41 H GLU 7 H GLU 7 11.364 -1.977 0.948 42 HA GLU 7 HA GLU 7 13.570 -1.283 -0.576 43 HB2 GLU 7 HB2 GLU 7 12.831 -3.586 1.218 44 HB3 GLU 7 HB3 GLU 7 14.260 -3.756 0.218 45 HG2 GLU 7 HG2 GLU 7 13.795 -1.304 1.969 46 HG3 GLU 7 HG3 GLU 7 14.595 -2.741 2.575 47 HE2 GLU 7 HE2 GLU 7 16.818 -0.475 1.962 48 H PHE 8 H PHE 8 11.377 -4.179 -0.809 49 HA PHE 8 HA PHE 8 12.487 -5.414 -2.940 50 HB2 PHE 8 HB2 PHE 8 10.518 -6.217 -1.647 51 HB3 PHE 8 HB3 PHE 8 9.562 -4.850 -2.183 52 HD1 PHE 8 HD1 PHE 8 11.306 -7.880 -3.446 53 HD2 PHE 8 HD2 PHE 8 8.243 -5.018 -4.103 54 HE1 PHE 8 HE1 PHE 8 10.457 -9.233 -5.382 55 HE2 PHE 8 HE2 PHE 8 7.394 -6.371 -6.039 56 HZ PHE 8 HZ PHE 8 8.511 -8.462 -6.656 57 H HIS 9 H HIS 9 10.414 -2.482 -2.942 58 HA HIS 9 HA HIS 9 10.144 -2.481 -5.773 59 HB2 HIS 9 HB2 HIS 9 9.423 -0.628 -3.527 60 HB3 HIS 9 HB3 HIS 9 9.417 -0.014 -5.168 61 HD1 HIS 9 HD1 HIS 9 7.661 -2.503 -2.927 62 HD2 HIS 9 HD2 HIS 9 7.308 -0.914 -6.792 63 HE1 HIS 9 HE1 HIS 9 5.381 -3.245 -3.799 64 H VAL 10 H VAL 10 12.342 -1.021 -3.353 65 HA VAL 10 HA VAL 10 13.554 0.851 -5.001 66 HB VAL 10 HB VAL 10 14.320 -0.676 -2.544 67 HG11 VAL 10 HG11 VAL 10 16.373 1.004 -2.580 68 HG12 VAL 10 HG12 VAL 10 16.476 -0.604 -3.335 69 HG13 VAL 10 HG13 VAL 10 16.181 0.834 -4.341 70 HG21 VAL 10 HG21 VAL 10 12.809 1.202 -2.285 71 HG22 VAL 10 HG22 VAL 10 14.393 1.620 -1.588 72 HG23 VAL 10 HG23 VAL 10 13.921 2.267 -3.178 73 H GLU 11 H GLU 11 14.518 -2.579 -4.283 74 HA GLU 11 HA GLU 11 16.706 -2.637 -5.901 75 HB2 GLU 11 HB2 GLU 11 16.169 -4.437 -4.338 76 HB3 GLU 11 HB3 GLU 11 14.714 -4.843 -5.227 77 HG2 GLU 11 HG2 GLU 11 16.005 -5.591 -7.157 78 HG3 GLU 11 HG3 GLU 11 17.493 -4.959 -6.481 79 HE2 GLU 11 HE2 GLU 11 18.636 -6.481 -5.717 80 H MET 12 H MET 12 13.361 -2.339 -6.779 81 HA MET 12 HA MET 12 13.983 -3.198 -9.491 82 HB2 MET 12 HB2 MET 12 11.604 -3.296 -7.727 83 HB3 MET 12 HB3 MET 12 11.215 -2.620 -9.297 84 HG2 MET 12 HG2 MET 12 12.337 -4.626 -10.381 85 HG3 MET 12 HG3 MET 12 12.569 -5.313 -8.785 86 HE1 MET 12 HE1 MET 12 9.316 -3.818 -7.803 87 HE2 MET 12 HE2 MET 12 8.934 -5.519 -7.444 88 HE3 MET 12 HE3 MET 12 10.554 -4.874 -7.083 89 H GLY 13 H GLY 13 14.717 -0.567 -8.100 90 HA2 GLY 13 HA2 GLY 13 14.404 1.165 -10.227 91 HA3 GLY 13 HA3 GLY 13 13.039 1.467 -9.170 92 H GLY 14 H GLY 14 13.491 1.955 -6.827 93 HA2 GLY 14 HA2 GLY 14 15.842 2.357 -5.589 94 HA3 GLY 14 HA3 GLY 14 15.754 3.754 -6.643 95 H CYS 15 H CYS 15 15.727 4.867 -4.426 96 HA CYS 15 HA CYS 15 13.385 4.608 -2.860 97 HB2 CYS 15 HB2 CYS 15 15.547 6.721 -2.906 98 HB3 CYS 15 HB3 CYS 15 14.245 6.670 -1.735 99 H GLU 16 H GLU 16 14.224 6.172 -5.844 100 HA GLU 16 HA GLU 16 12.307 8.273 -5.541 101 HB2 GLU 16 HB2 GLU 16 14.002 7.364 -7.906 102 HB3 GLU 16 HB3 GLU 16 12.933 8.751 -7.956 103 HG2 GLU 16 HG2 GLU 16 15.004 9.727 -7.389 104 HG3 GLU 16 HG3 GLU 16 14.219 9.576 -5.830 105 HE2 GLU 16 HE2 GLU 16 16.792 7.626 -4.644 106 H ASN 17 H ASN 17 11.729 5.163 -5.599 107 HA ASN 17 HA ASN 17 10.198 4.813 -7.929 108 HB2 ASN 17 HB2 ASN 17 11.238 3.052 -6.228 109 HB3 ASN 17 HB3 ASN 17 9.740 3.273 -5.345 110 HD21 ASN 17 HD21 ASN 17 7.731 3.266 -6.817 111 HD22 ASN 17 HD22 ASN 17 7.620 1.970 -7.961 112 H CYS 18 H CYS 18 9.718 6.232 -4.732 113 HA CYS 18 HA CYS 18 7.009 6.918 -5.477 114 HB2 CYS 18 HB2 CYS 18 7.398 5.841 -2.696 115 HB3 CYS 18 HB3 CYS 18 5.917 6.048 -3.611 116 H HIS 19 H HIS 19 9.760 8.167 -5.201 117 HA HIS 19 HA HIS 19 8.915 10.319 -3.458 118 HB2 HIS 19 HB2 HIS 19 11.561 8.877 -3.138 119 HB3 HIS 19 HB3 HIS 19 11.176 10.419 -2.400 120 HD1 HIS 19 HD1 HIS 19 8.271 9.805 -1.420 121 HD2 HIS 19 HD2 HIS 19 11.552 7.236 -0.931 122 HE1 HIS 19 HE1 HIS 19 7.707 8.292 0.556 123 H ALA 20 H ALA 20 8.939 12.073 -4.764 124 HA ALA 20 HA ALA 20 10.582 12.062 -7.119 125 HB1 ALA 20 HB1 ALA 20 9.453 14.564 -6.940 126 HB2 ALA 20 HB2 ALA 20 8.670 13.148 -7.682 127 HB3 ALA 20 HB3 ALA 20 8.307 13.584 -5.995 128 H ASP 21 H ASP 21 12.697 12.620 -7.092 129 HA ASP 21 HA ASP 21 14.568 13.572 -6.555 130 HB2 ASP 21 HB2 ASP 21 12.592 15.691 -6.403 131 HB3 ASP 21 HB3 ASP 21 13.802 15.973 -5.168 132 HD2 ASP 21 HD2 ASP 21 13.593 15.267 -8.570 133 H GLY 22 H GLY 22 13.047 11.899 -4.540 134 HA2 GLY 22 HA2 GLY 22 13.296 11.187 -2.424 135 HA3 GLY 22 HA3 GLY 22 14.766 12.137 -2.340 136 H GLU 23 H GLU 23 11.314 13.152 -2.831 137 HA GLU 23 HA GLU 23 11.534 14.568 -0.297 138 HB2 GLU 23 HB2 GLU 23 11.825 16.003 -2.483 139 HB3 GLU 23 HB3 GLU 23 10.095 15.795 -2.666 140 HG2 GLU 23 HG2 GLU 23 10.637 16.519 0.085 141 HG3 GLU 23 HG3 GLU 23 11.489 17.642 -0.956 142 HE2 GLU 23 HE2 GLU 23 10.293 19.288 -1.208 143 HA PRO 24 HA PRO 24 8.051 11.562 -0.144 144 HB2 PRO 24 HB2 PRO 24 8.363 12.623 2.685 145 HB3 PRO 24 HB3 PRO 24 8.084 10.955 2.088 146 HG2 PRO 24 HG2 PRO 24 10.397 11.739 2.825 147 HG3 PRO 24 HG3 PRO 24 10.497 10.567 1.470 148 HD2 PRO 24 HD2 PRO 24 10.988 13.514 1.515 149 HD3 PRO 24 HD3 PRO 24 11.454 12.311 0.274 150 H SER 25 H SER 25 6.004 12.271 -0.735 151 HA SER 25 HA SER 25 5.293 14.871 -0.805 152 HB2 SER 25 HB2 SER 25 3.327 12.592 -0.331 153 HB3 SER 25 HB3 SER 25 3.009 14.102 -1.162 154 HG SER 25 HG SER 25 4.609 11.873 -2.033 155 H LYS 26 H LYS 26 3.774 16.189 0.491 156 HA LYS 26 HA LYS 26 4.015 15.525 3.329 157 HB2 LYS 26 HB2 LYS 26 3.782 17.868 3.759 158 HB3 LYS 26 HB3 LYS 26 4.994 17.662 2.511 159 HG2 LYS 26 HG2 LYS 26 2.674 17.883 1.001 160 HG3 LYS 26 HG3 LYS 26 2.315 18.941 2.351 161 HD2 LYS 26 HD2 LYS 26 4.760 19.880 1.920 162 HD3 LYS 26 HD3 LYS 26 4.574 19.144 0.340 163 HE2 LYS 26 HE2 LYS 26 3.415 20.979 -0.320 164 HE3 LYS 26 HE3 LYS 26 2.132 20.517 0.781 165 HZ1 LYS 26 HZ1 LYS 26 3.745 21.683 2.508 166 HZ2 LYS 26 HZ2 LYS 26 4.251 22.492 1.189 167 H ASP 27 H ASP 27 2.082 14.235 1.456 168 HA ASP 27 HA ASP 27 -0.241 14.861 3.032 169 HB2 ASP 27 HB2 ASP 27 -1.605 14.689 0.785 170 HB3 ASP 27 HB3 ASP 27 -0.882 16.221 1.235 171 HD2 ASP 27 HD2 ASP 27 -1.094 14.234 -1.477 172 H GLY 28 H GLY 28 0.788 13.067 0.018 173 HA2 GLY 28 HA2 GLY 28 1.273 10.648 0.440 174 HA3 GLY 28 HA3 GLY 28 -0.294 10.591 1.223 175 H ALA 29 H ALA 29 -1.692 12.424 -0.590 176 HA ALA 29 HA ALA 29 -2.694 10.670 -2.424 177 HB1 ALA 29 HB1 ALA 29 -2.913 13.465 -1.755 178 HB2 ALA 29 HB2 ALA 29 -2.879 13.293 -3.526 179 HB3 ALA 29 HB3 ALA 29 -4.098 12.416 -2.570 180 H TYR 30 H TYR 30 -0.306 13.283 -3.007 181 HA TYR 30 HA TYR 30 0.255 12.810 -5.680 182 HB2 TYR 30 HB2 TYR 30 1.143 14.693 -4.407 183 HB3 TYR 30 HB3 TYR 30 2.138 13.597 -3.432 184 HD1 TYR 30 HD1 TYR 30 1.542 13.685 -7.135 185 HD2 TYR 30 HD2 TYR 30 4.357 14.121 -3.919 186 HE1 TYR 30 HE1 TYR 30 3.387 13.897 -8.778 187 HE2 TYR 30 HE2 TYR 30 6.201 14.333 -5.563 188 HH TYR 30 HH TYR 30 6.057 13.451 -8.704 189 H GLU 31 H GLU 31 1.673 11.131 -2.776 190 HA GLU 31 HA GLU 31 3.407 9.599 -4.352 191 HB2 GLU 31 HB2 GLU 31 3.652 10.073 -1.879 192 HB3 GLU 31 HB3 GLU 31 2.325 8.970 -1.571 193 HG2 GLU 31 HG2 GLU 31 4.849 8.158 -3.084 194 HG3 GLU 31 HG3 GLU 31 4.667 7.959 -1.352 195 HE2 GLU 31 HE2 GLU 31 2.548 5.629 -1.201 196 H PHE 32 H PHE 32 0.193 8.916 -2.812 197 HA PHE 32 HA PHE 32 -0.121 6.314 -3.430 198 HB2 PHE 32 HB2 PHE 32 -1.811 7.609 -2.226 199 HB3 PHE 32 HB3 PHE 32 -1.967 8.756 -3.541 200 HD1 PHE 32 HD1 PHE 32 -2.065 5.028 -3.597 201 HD2 PHE 32 HD2 PHE 32 -4.181 8.653 -4.217 202 HE1 PHE 32 HE1 PHE 32 -4.019 3.734 -4.493 203 HE2 PHE 32 HE2 PHE 32 -6.136 7.359 -5.114 204 HZ PHE 32 HZ PHE 32 -6.031 4.915 -5.241 205 H GLU 33 H GLU 33 -0.077 9.062 -5.675 206 HA GLU 33 HA GLU 33 -1.398 7.825 -7.776 207 HB2 GLU 33 HB2 GLU 33 0.101 10.265 -7.301 208 HB3 GLU 33 HB3 GLU 33 0.578 9.589 -8.845 209 HG2 GLU 33 HG2 GLU 33 -2.365 9.760 -8.134 210 HG3 GLU 33 HG3 GLU 33 -1.528 11.193 -8.698 211 HE2 GLU 33 HE2 GLU 33 -1.289 10.995 -11.396 212 H GLN 34 H GLN 34 2.061 7.879 -6.768 213 HA GLN 34 HA GLN 34 3.203 6.791 -8.958 214 HB2 GLN 34 HB2 GLN 34 3.817 6.312 -6.013 215 HB3 GLN 34 HB3 GLN 34 4.874 5.780 -7.305 216 HG2 GLN 34 HG2 GLN 34 4.141 8.623 -6.528 217 HG3 GLN 34 HG3 GLN 34 5.737 7.909 -6.644 218 HE21 GLN 34 HE21 GLN 34 4.346 10.261 -7.922 219 HE22 GLN 34 HE22 GLN 34 4.637 10.109 -9.623 220 H CYS 35 H CYS 35 1.236 5.189 -6.437 221 HA CYS 35 HA CYS 35 1.825 2.585 -7.517 222 HB2 CYS 35 HB2 CYS 35 -0.365 2.971 -5.547 223 HB3 CYS 35 HB3 CYS 35 0.845 1.708 -5.660 224 H GLN 36 H GLN 36 0.866 4.136 -9.573 225 HA GLN 36 HA GLN 36 -1.664 2.869 -10.054 226 HB2 GLN 36 HB2 GLN 36 -1.628 5.547 -9.177 227 HB3 GLN 36 HB3 GLN 36 -1.816 5.671 -10.915 228 HG2 GLN 36 HG2 GLN 36 -3.767 4.166 -10.865 229 HG3 GLN 36 HG3 GLN 36 -3.533 3.860 -9.155 230 HE21 GLN 36 HE21 GLN 36 -3.076 6.184 -8.007 231 HE22 GLN 36 HE22 GLN 36 -4.374 7.312 -8.217 232 H SER 37 H SER 37 0.278 1.823 -11.323 233 HA SER 37 HA SER 37 -0.012 2.684 -13.984 234 HB2 SER 37 HB2 SER 37 1.966 4.083 -12.714 235 HB3 SER 37 HB3 SER 37 2.888 2.695 -13.257 236 HG SER 37 HG SER 37 1.178 4.247 -15.003 237 H CYS 38 H CYS 38 2.705 1.103 -12.145 238 HA CYS 38 HA CYS 38 2.766 -1.088 -13.901 239 HB2 CYS 38 HB2 CYS 38 3.909 -1.114 -11.105 240 HB3 CYS 38 HB3 CYS 38 4.488 -1.951 -12.531 241 H HIS 39 H HIS 39 0.619 -0.143 -11.400 242 HA HIS 39 HA HIS 39 -0.228 -2.927 -11.050 243 HB2 HIS 39 HB2 HIS 39 -0.391 -0.597 -9.122 244 HB3 HIS 39 HB3 HIS 39 -1.234 -2.115 -8.885 245 HD1 HIS 39 HD1 HIS 39 0.651 -4.302 -9.187 246 HD2 HIS 39 HD2 HIS 39 1.949 -0.585 -7.740 247 HE1 HIS 39 HE1 HIS 39 2.828 -4.745 -7.931 248 H GLY 40 H GLY 40 -1.952 0.070 -10.103 249 HA2 GLY 40 HA2 GLY 40 -3.477 0.751 -12.169 250 HA3 GLY 40 HA3 GLY 40 -4.218 -0.774 -11.727 251 H SER 41 H SER 41 -6.191 0.372 -11.137 252 HA SER 41 HA SER 41 -5.882 1.944 -8.704 253 HB2 SER 41 HB2 SER 41 -7.009 3.328 -10.223 254 HB3 SER 41 HB3 SER 41 -7.861 1.995 -10.977 255 HG SER 41 HG SER 41 -9.421 2.988 -9.751 256 H LEU 42 H LEU 42 -7.392 1.536 -6.915 257 HA LEU 42 HA LEU 42 -7.786 -1.170 -6.413 258 HB2 LEU 42 HB2 LEU 42 -9.183 1.160 -5.098 259 HB3 LEU 42 HB3 LEU 42 -8.944 -0.442 -4.431 260 HG LEU 42 HG LEU 42 -6.468 0.990 -5.209 261 HD11 LEU 42 HD11 LEU 42 -8.008 2.767 -4.238 262 HD12 LEU 42 HD12 LEU 42 -7.903 1.872 -2.703 263 HD13 LEU 42 HD13 LEU 42 -6.431 2.548 -3.443 264 HD21 LEU 42 HD21 LEU 42 -7.248 -1.187 -3.550 265 HD22 LEU 42 HD22 LEU 42 -5.611 -0.597 -3.923 266 HD23 LEU 42 HD23 LEU 42 -6.491 0.050 -2.517 267 H ALA 43 H ALA 43 -9.796 1.271 -8.021 268 HA ALA 43 HA ALA 43 -12.213 -0.196 -7.830 269 HB1 ALA 43 HB1 ALA 43 -12.877 1.865 -8.439 270 HB2 ALA 43 HB2 ALA 43 -11.227 2.309 -8.939 271 HB3 ALA 43 HB3 ALA 43 -12.314 1.489 -10.085 272 H GLU 44 H GLU 44 -9.304 -0.877 -9.386 273 HA GLU 44 HA GLU 44 -10.745 -2.418 -11.402 274 HB2 GLU 44 HB2 GLU 44 -8.412 -0.620 -11.644 275 HB3 GLU 44 HB3 GLU 44 -8.136 -2.194 -12.362 276 HG2 GLU 44 HG2 GLU 44 -9.457 -1.679 -14.131 277 HG3 GLU 44 HG3 GLU 44 -10.806 -1.319 -13.072 278 HE2 GLU 44 HE2 GLU 44 -8.542 0.221 -15.117 279 H MET 45 H MET 45 -10.004 -3.073 -8.562 280 HA MET 45 HA MET 45 -8.185 -5.275 -9.170 281 HB2 MET 45 HB2 MET 45 -8.630 -3.722 -6.561 282 HB3 MET 45 HB3 MET 45 -7.627 -5.155 -6.671 283 HG2 MET 45 HG2 MET 45 -6.438 -3.795 -8.646 284 HG3 MET 45 HG3 MET 45 -7.140 -2.407 -7.841 285 HE1 MET 45 HE1 MET 45 -4.160 -1.561 -6.105 286 HE2 MET 45 HE2 MET 45 -3.714 -2.417 -7.601 287 HE3 MET 45 HE3 MET 45 -5.174 -1.398 -7.559 288 H ASP 46 H ASP 46 -8.528 -6.856 -6.911 289 HA ASP 46 HA ASP 46 -10.762 -8.267 -7.514 290 HB2 ASP 46 HB2 ASP 46 -10.317 -8.687 -4.742 291 HB3 ASP 46 HB3 ASP 46 -9.692 -9.644 -6.070 292 HD2 ASP 46 HD2 ASP 46 -7.302 -8.800 -6.771 293 H ASP 47 H ASP 47 -12.460 -8.785 -5.482 294 HA ASP 47 HA ASP 47 -13.896 -6.345 -5.228 295 HB2 ASP 47 HB2 ASP 47 -14.465 -9.107 -4.053 296 HB3 ASP 47 HB3 ASP 47 -15.611 -7.783 -4.126 297 HD2 ASP 47 HD2 ASP 47 -16.996 -8.051 -5.858 298 H ASN 48 H ASN 48 -11.238 -7.415 -3.657 299 HA ASN 48 HA ASN 48 -12.233 -6.930 -0.982 300 HB2 ASN 48 HB2 ASN 48 -9.415 -7.746 -1.860 301 HB3 ASN 48 HB3 ASN 48 -10.053 -7.807 -0.228 302 HD21 ASN 48 HD21 ASN 48 -9.031 -10.046 -0.978 303 HD22 ASN 48 HD22 ASN 48 -10.193 -11.247 -1.433 304 H HIS 49 H HIS 49 -10.426 -5.537 -3.662 305 HA HIS 49 HA HIS 49 -9.258 -3.502 -1.942 306 HB2 HIS 49 HB2 HIS 49 -8.788 -4.388 -4.782 307 HB3 HIS 49 HB3 HIS 49 -8.238 -2.815 -4.240 308 HD1 HIS 49 HD1 HIS 49 -7.734 -6.518 -3.516 309 HD2 HIS 49 HD2 HIS 49 -5.906 -2.825 -2.733 310 HE1 HIS 49 HE1 HIS 49 -5.471 -7.049 -2.464 311 H LYS 50 H LYS 50 -11.591 -3.993 -4.634 312 HA LYS 50 HA LYS 50 -12.135 -1.426 -5.321 313 HB2 LYS 50 HB2 LYS 50 -13.713 -3.957 -5.228 314 HB3 LYS 50 HB3 LYS 50 -14.600 -2.468 -5.486 315 HG2 LYS 50 HG2 LYS 50 -13.049 -1.890 -7.379 316 HG3 LYS 50 HG3 LYS 50 -12.202 -3.405 -7.134 317 HD2 LYS 50 HD2 LYS 50 -15.181 -3.190 -7.782 318 HD3 LYS 50 HD3 LYS 50 -13.934 -3.493 -8.976 319 HE2 LYS 50 HE2 LYS 50 -14.098 -5.708 -8.514 320 HE3 LYS 50 HE3 LYS 50 -13.442 -5.389 -6.921 321 HZ1 LYS 50 HZ1 LYS 50 -16.238 -5.748 -7.696 322 HZ2 LYS 50 HZ2 LYS 50 -15.474 -6.257 -6.351 323 HA PRO 51 HA PRO 51 -15.698 -1.510 -1.750 324 HB2 PRO 51 HB2 PRO 51 -13.797 -3.049 0.058 325 HB3 PRO 51 HB3 PRO 51 -15.590 -3.006 0.018 326 HG2 PRO 51 HG2 PRO 51 -13.961 -4.816 -1.113 327 HG3 PRO 51 HG3 PRO 51 -15.647 -4.781 -1.724 328 HD2 PRO 51 HD2 PRO 51 -13.255 -4.181 -3.190 329 HD3 PRO 51 HD3 PRO 51 -14.930 -3.819 -3.707 330 H HIS 52 H HIS 52 -12.105 -1.602 -1.058 331 HA HIS 52 HA HIS 52 -12.347 0.656 0.661 332 HB2 HIS 52 HB2 HIS 52 -9.977 -0.837 -0.484 333 HB3 HIS 52 HB3 HIS 52 -9.814 0.539 0.589 334 HD1 HIS 52 HD1 HIS 52 -9.829 -3.015 0.710 335 HD2 HIS 52 HD2 HIS 52 -11.485 -0.015 3.129 336 HE1 HIS 52 HE1 HIS 52 -10.284 -4.095 2.977 337 H ASP 53 H ASP 53 -11.057 0.038 -2.668 338 HA ASP 53 HA ASP 53 -9.921 2.078 -3.546 339 HB2 ASP 53 HB2 ASP 53 -11.104 0.457 -5.025 340 HB3 ASP 53 HB3 ASP 53 -12.627 1.266 -4.711 341 HD2 ASP 53 HD2 ASP 53 -12.823 3.447 -5.784 342 H GLY 54 H GLY 54 -9.964 4.145 -2.584 343 HA2 GLY 54 HA2 GLY 54 -10.799 6.311 -2.610 344 HA3 GLY 54 HA3 GLY 54 -12.413 5.708 -2.929 345 H LEU 55 H LEU 55 -9.912 5.011 -0.374 346 HA LEU 55 HA LEU 55 -11.565 6.182 1.642 347 HB2 LEU 55 HB2 LEU 55 -11.620 3.269 1.147 348 HB3 LEU 55 HB3 LEU 55 -11.376 3.749 2.815 349 HG LEU 55 HG LEU 55 -13.705 4.532 1.042 350 HD11 LEU 55 HD11 LEU 55 -14.012 2.289 1.674 351 HD12 LEU 55 HD12 LEU 55 -13.405 2.576 3.322 352 HD13 LEU 55 HD13 LEU 55 -14.984 3.234 2.828 353 HD21 LEU 55 HD21 LEU 55 -14.602 5.394 3.319 354 HD22 LEU 55 HD22 LEU 55 -12.885 5.459 3.782 355 HD23 LEU 55 HD23 LEU 55 -13.468 6.402 2.390 356 H LEU 56 H LEU 56 -8.988 3.652 1.195 357 HA LEU 56 HA LEU 56 -7.232 5.407 2.753 358 HB2 LEU 56 HB2 LEU 56 -6.533 3.735 4.162 359 HB3 LEU 56 HB3 LEU 56 -8.263 3.472 4.067 360 HG LEU 56 HG LEU 56 -6.774 1.933 2.064 361 HD11 LEU 56 HD11 LEU 56 -6.346 0.494 4.497 362 HD12 LEU 56 HD12 LEU 56 -5.160 1.025 3.280 363 HD13 LEU 56 HD13 LEU 56 -5.584 2.096 4.637 364 HD21 LEU 56 HD21 LEU 56 -9.242 1.812 3.135 365 HD22 LEU 56 HD22 LEU 56 -8.420 0.421 2.388 366 HD23 LEU 56 HD23 LEU 56 -8.409 0.616 4.157 367 H MET 57 H MET 57 -4.932 5.124 2.270 368 HA MET 57 HA MET 57 -4.607 4.588 -0.506 369 HB2 MET 57 HB2 MET 57 -3.173 5.943 1.691 370 HB3 MET 57 HB3 MET 57 -2.065 5.008 0.707 371 HG2 MET 57 HG2 MET 57 -2.181 7.200 -0.299 372 HG3 MET 57 HG3 MET 57 -3.075 6.127 -1.358 373 HE1 MET 57 HE1 MET 57 -3.606 9.782 0.008 374 HE2 MET 57 HE2 MET 57 -3.082 8.952 -1.477 375 HE3 MET 57 HE3 MET 57 -4.721 9.638 -1.372 376 H CYS 58 H CYS 58 -2.553 3.300 -1.232 377 HA CYS 58 HA CYS 58 -2.911 0.661 -0.514 378 HB2 CYS 58 HB2 CYS 58 -0.349 1.750 -1.669 379 HB3 CYS 58 HB3 CYS 58 -1.050 0.159 -1.887 380 H ALA 59 H ALA 59 0.072 2.670 0.082 381 HA ALA 59 HA ALA 59 1.370 1.107 1.815 382 HB1 ALA 59 HB1 ALA 59 2.086 3.343 0.961 383 HB2 ALA 59 HB2 ALA 59 0.986 4.110 2.132 384 HB3 ALA 59 HB3 ALA 59 2.368 3.147 2.708 385 H ASP 60 H ASP 60 -1.229 3.471 2.744 386 HA ASP 60 HA ASP 60 -1.322 3.270 5.335 387 HB2 ASP 60 HB2 ASP 60 -3.776 2.785 3.581 388 HB3 ASP 60 HB3 ASP 60 -3.805 3.402 5.221 389 HD2 ASP 60 HD2 ASP 60 -4.417 6.044 4.403 390 H CYS 61 H CYS 61 -2.106 0.663 3.016 391 HA CYS 61 HA CYS 61 -2.801 -1.090 5.250 392 HB2 CYS 61 HB2 CYS 61 -3.825 -0.811 2.544 393 HB3 CYS 61 HB3 CYS 61 -3.282 -2.451 2.835 394 H HIS 62 H HIS 62 -0.951 -0.952 2.116 395 HA HIS 62 HA HIS 62 0.645 -3.195 2.960 396 HB2 HIS 62 HB2 HIS 62 0.658 -1.489 0.457 397 HB3 HIS 62 HB3 HIS 62 1.747 -2.835 0.728 398 HD1 HIS 62 HD1 HIS 62 0.258 -5.186 1.447 399 HD2 HIS 62 HD2 HIS 62 -1.532 -2.255 -0.962 400 HE1 HIS 62 HE1 HIS 62 -1.674 -6.335 0.240 401 H ALA 63 H ALA 63 1.072 -1.506 4.934 402 HA ALA 63 HA ALA 63 2.677 0.625 4.802 403 HB1 ALA 63 HB1 ALA 63 3.128 0.211 7.029 404 HB2 ALA 63 HB2 ALA 63 1.767 -0.909 6.788 405 HB3 ALA 63 HB3 ALA 63 3.438 -1.520 6.758 406 HA PRO 64 HA PRO 64 5.963 -1.129 2.249 407 HB2 PRO 64 HB2 PRO 64 6.645 1.781 2.074 408 HB3 PRO 64 HB3 PRO 64 6.292 0.586 0.784 409 HG2 PRO 64 HG2 PRO 64 4.281 2.475 1.308 410 HG3 PRO 64 HG3 PRO 64 4.107 0.743 0.876 411 HD2 PRO 64 HD2 PRO 64 4.198 2.050 3.661 412 HD3 PRO 64 HD3 PRO 64 2.916 1.004 2.979 413 H HIS 65 H HIS 65 6.515 1.800 4.392 414 HA HIS 65 HA HIS 65 9.112 0.757 5.032 415 HB2 HIS 65 HB2 HIS 65 7.594 3.247 5.832 416 HB3 HIS 65 HB3 HIS 65 9.160 2.841 6.508 417 HD1 HIS 65 HD1 HIS 65 10.870 2.054 4.201 418 HD2 HIS 65 HD2 HIS 65 7.999 5.095 3.878 419 HE1 HIS 65 HE1 HIS 65 11.585 3.506 2.228 420 H GLU 66 H GLU 66 7.600 -1.263 5.779 421 HA GLU 66 HA GLU 66 8.067 -1.512 8.467 422 HB2 GLU 66 HB2 GLU 66 6.254 0.054 8.895 423 HB3 GLU 66 HB3 GLU 66 5.176 -0.806 7.814 424 HG2 GLU 66 HG2 GLU 66 6.172 -2.709 9.736 425 HG3 GLU 66 HG3 GLU 66 5.660 -1.286 10.622 426 HE2 GLU 66 HE2 GLU 66 2.625 -1.311 10.265 427 H ALA 67 H ALA 67 5.324 -2.405 6.238 428 HA ALA 67 HA ALA 67 5.282 -5.087 6.980 429 HB1 ALA 67 HB1 ALA 67 4.534 -4.191 4.206 430 HB2 ALA 67 HB2 ALA 67 3.679 -5.292 5.313 431 HB3 ALA 67 HB3 ALA 67 3.638 -3.535 5.597 432 H LYS 68 H LYS 68 5.742 -6.934 5.321 433 HA LYS 68 HA LYS 68 8.243 -6.378 3.905 434 HB2 LYS 68 HB2 LYS 68 8.806 -8.829 4.811 435 HB3 LYS 68 HB3 LYS 68 9.274 -7.370 5.661 436 HG2 LYS 68 HG2 LYS 68 7.397 -7.529 7.179 437 HG3 LYS 68 HG3 LYS 68 6.611 -8.748 6.196 438 HD2 LYS 68 HD2 LYS 68 7.618 -10.322 7.483 439 HD3 LYS 68 HD3 LYS 68 9.141 -9.863 6.746 440 HE2 LYS 68 HE2 LYS 68 8.039 -8.296 9.107 441 HE3 LYS 68 HE3 LYS 68 8.928 -9.784 9.365 442 HZ1 LYS 68 HZ1 LYS 68 10.111 -7.736 7.617 443 HZ2 LYS 68 HZ2 LYS 68 10.199 -7.525 9.229 444 H VAL 69 H VAL 69 8.391 -7.337 1.903 445 HA VAL 69 HA VAL 69 6.244 -8.025 0.486 446 HB VAL 69 HB VAL 69 9.121 -8.792 0.365 447 HG11 VAL 69 HG11 VAL 69 6.920 -10.108 -1.218 448 HG12 VAL 69 HG12 VAL 69 8.528 -9.856 -1.939 449 HG13 VAL 69 HG13 VAL 69 8.359 -10.833 -0.461 450 HG21 VAL 69 HG21 VAL 69 8.658 -7.700 -1.988 451 HG22 VAL 69 HG22 VAL 69 7.195 -7.086 -1.182 452 HG23 VAL 69 HG23 VAL 69 8.803 -6.688 -0.531 453 H GLY 70 H GLY 70 4.771 -9.660 0.341 454 HA2 GLY 70 HA2 GLY 70 3.919 -11.764 0.539 455 HA3 GLY 70 HA3 GLY 70 5.424 -12.324 1.241 456 H GLU 71 H GLU 71 3.474 -9.505 2.358 457 HA GLU 71 HA GLU 71 2.773 -11.076 4.705 458 HB2 GLU 71 HB2 GLU 71 4.720 -9.686 5.298 459 HB3 GLU 71 HB3 GLU 71 3.916 -8.248 4.699 460 HG2 GLU 71 HG2 GLU 71 3.340 -8.025 6.923 461 HG3 GLU 71 HG3 GLU 71 2.003 -9.047 6.433 462 HE2 GLU 71 HE2 GLU 71 3.538 -11.928 7.917 463 H LYS 72 H LYS 72 0.580 -11.300 4.286 464 HA LYS 72 HA LYS 72 -0.913 -9.132 3.176 465 HB2 LYS 72 HB2 LYS 72 -2.707 -10.637 3.091 466 HB3 LYS 72 HB3 LYS 72 -1.291 -11.624 2.794 467 HG2 LYS 72 HG2 LYS 72 -1.267 -12.142 5.318 468 HG3 LYS 72 HG3 LYS 72 -2.836 -11.367 5.411 469 HD2 LYS 72 HD2 LYS 72 -3.438 -13.616 5.094 470 HD3 LYS 72 HD3 LYS 72 -3.508 -12.998 3.455 471 HE2 LYS 72 HE2 LYS 72 -2.112 -14.729 2.935 472 HE3 LYS 72 HE3 LYS 72 -0.845 -13.737 3.628 473 HZ1 LYS 72 HZ1 LYS 72 -2.381 -15.313 5.535 474 HZ2 LYS 72 HZ2 LYS 72 -1.424 -16.172 4.536 475 HA PRO 73 HA PRO 73 -1.265 -6.843 6.944 476 HB2 PRO 73 HB2 PRO 73 -3.559 -5.762 5.259 477 HB3 PRO 73 HB3 PRO 73 -2.337 -4.902 6.250 478 HG2 PRO 73 HG2 PRO 73 -2.078 -5.096 3.516 479 HG3 PRO 73 HG3 PRO 73 -0.675 -5.235 4.625 480 HD2 PRO 73 HD2 PRO 73 -2.292 -7.399 3.209 481 HD3 PRO 73 HD3 PRO 73 -0.526 -7.308 3.484 482 H THR 74 H THR 74 -2.874 -6.687 8.710 483 HA THR 74 HA THR 74 -4.924 -8.778 8.440 484 HB THR 74 HB THR 74 -4.721 -8.851 10.951 485 HG1 THR 74 HG1 THR 74 -3.967 -6.791 11.488 486 HG21 THR 74 HG21 THR 74 -3.171 -10.419 10.113 487 HG22 THR 74 HG22 THR 74 -2.276 -9.185 9.194 488 HG23 THR 74 HG23 THR 74 -2.080 -9.296 10.959 489 H CYS 75 H CYS 75 -7.064 -8.368 8.759 490 HA CYS 75 HA CYS 75 -7.885 -5.704 8.466 491 HB2 CYS 75 HB2 CYS 75 -9.705 -7.894 9.417 492 HB3 CYS 75 HB3 CYS 75 -10.068 -6.522 8.389 493 H ASP 76 H ASP 76 -7.710 -8.035 11.219 494 HA ASP 76 HA ASP 76 -9.099 -6.828 13.114 495 HB2 ASP 76 HB2 ASP 76 -6.234 -7.781 13.558 496 HB3 ASP 76 HB3 ASP 76 -7.518 -7.754 14.750 497 HD2 ASP 76 HD2 ASP 76 -7.400 -11.163 13.738 498 H THR 77 H THR 77 -6.138 -5.671 11.551 499 HA THR 77 HA THR 77 -5.230 -3.874 13.490 500 HB THR 77 HB THR 77 -5.063 -3.614 10.446 501 HG1 THR 77 HG1 THR 77 -3.437 -5.092 12.389 502 HG21 THR 77 HG21 THR 77 -3.882 -2.124 12.560 503 HG22 THR 77 HG22 THR 77 -2.624 -3.269 12.035 504 HG23 THR 77 HG23 THR 77 -3.355 -2.150 10.859 505 H CYS 78 H CYS 78 -7.701 -3.523 10.898 506 HA CYS 78 HA CYS 78 -8.306 -0.906 12.066 507 HB2 CYS 78 HB2 CYS 78 -8.541 -1.959 9.253 508 HB3 CYS 78 HB3 CYS 78 -9.577 -0.651 9.789 509 H HIS 79 H HIS 79 -9.733 -3.882 10.537 510 HA HIS 79 HA HIS 79 -12.250 -3.285 11.849 511 HB2 HIS 79 HB2 HIS 79 -11.584 -5.544 9.946 512 HB3 HIS 79 HB3 HIS 79 -13.180 -5.028 10.455 513 HD1 HIS 79 HD1 HIS 79 -13.343 -2.120 9.932 514 HD2 HIS 79 HD2 HIS 79 -11.176 -4.672 7.405 515 HE1 HIS 79 HE1 HIS 79 -13.156 -0.916 7.690 516 H ASP 80 H ASP 80 -11.866 -3.695 14.048 517 HA ASP 80 HA ASP 80 -10.685 -6.228 14.717 518 HB2 ASP 80 HB2 ASP 80 -11.665 -3.847 16.348 519 HB3 ASP 80 HB3 ASP 80 -11.124 -5.328 17.113 520 HD2 ASP 80 HD2 ASP 80 -10.032 -2.428 15.751 521 H ASP 81 H ASP 81 -13.297 -6.191 13.325 522 HA ASP 81 HA ASP 81 -15.103 -6.919 15.481 523 HB2 ASP 81 HB2 ASP 81 -16.838 -6.884 13.604 524 HB3 ASP 81 HB3 ASP 81 -16.118 -5.336 13.994 525 HD2 ASP 81 HD2 ASP 81 -15.800 -4.957 10.643 526 H GLY 82 H GLY 82 -12.732 -8.457 14.091 527 HA2 GLY 82 HA2 GLY 82 -12.510 -10.776 14.039 528 HA3 GLY 82 HA3 GLY 82 -14.221 -10.951 13.702 529 H ARG 83 H ARG 83 -13.808 -8.548 11.672 530 HA ARG 83 HA ARG 83 -14.018 -9.787 9.400 531 HB2 ARG 83 HB2 ARG 83 -13.199 -7.172 10.208 532 HB3 ARG 83 HB3 ARG 83 -12.061 -7.655 8.966 533 HG2 ARG 83 HG2 ARG 83 -14.124 -6.488 8.073 534 HG3 ARG 83 HG3 ARG 83 -13.835 -8.065 7.364 535 HD2 ARG 83 HD2 ARG 83 -15.862 -8.797 8.078 536 HD3 ARG 83 HD3 ARG 83 -15.439 -8.443 9.741 537 HE ARG 83 HE ARG 83 -16.595 -6.391 9.598 538 H THR 84 H THR 84 -12.827 -11.100 8.009 539 HA THR 84 HA THR 84 -9.932 -11.271 8.509 540 HB THR 84 HB THR 84 -10.317 -13.793 7.998 541 HG1 THR 84 HG1 THR 84 -12.511 -13.502 7.215 542 HG21 THR 84 HG21 THR 84 -10.431 -14.219 10.261 543 HG22 THR 84 HG22 THR 84 -10.365 -12.449 10.435 544 HG23 THR 84 HG23 THR 84 -11.936 -13.286 10.443 545 H ALA 85 H ALA 85 -8.661 -12.045 6.669 546 HA ALA 85 HA ALA 85 -9.482 -10.726 4.312 547 HB1 ALA 85 HB1 ALA 85 -7.371 -11.863 3.416 548 HB2 ALA 85 HB2 ALA 85 -7.155 -10.812 4.837 549 HB3 ALA 85 HB3 ALA 85 -7.189 -12.580 5.035 550 H LYS 86 H LYS 86 -9.678 -11.774 2.139 551 HA LYS 86 HA LYS 86 -10.650 -14.524 2.303 552 HB2 LYS 86 HB2 LYS 86 -12.535 -12.772 2.491 553 HB3 LYS 86 HB3 LYS 86 -12.206 -12.410 0.809 554 HG2 LYS 86 HG2 LYS 86 -12.406 -15.318 1.354 555 HG3 LYS 86 HG3 LYS 86 -13.878 -14.444 1.732 556 HD2 LYS 86 HD2 LYS 86 -12.805 -13.485 -0.801 557 HD3 LYS 86 HD3 LYS 86 -12.934 -15.232 -0.847 558 HE2 LYS 86 HE2 LYS 86 -15.331 -14.984 0.033 559 HE3 LYS 86 HE3 LYS 86 -15.166 -13.254 -0.193 560 HZ1 LYS 86 HZ1 LYS 86 -15.502 -13.513 -2.389 561 HZ2 LYS 86 HZ2 LYS 86 -14.354 -14.659 -2.537 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 17.137 -10.250 4.805 2 HA ALA 1 HA ALA 1 15.831 -12.845 4.757 3 HB1 ALA 1 HB1 ALA 1 15.967 -11.003 7.167 4 HB2 ALA 1 HB2 ALA 1 14.686 -12.221 6.959 5 HB3 ALA 1 HB3 ALA 1 16.388 -12.730 7.076 6 H ASP 2 H ASP 2 13.297 -12.170 5.469 7 HA ASP 2 HA ASP 2 12.215 -11.072 3.335 8 HB2 ASP 2 HB2 ASP 2 11.420 -11.238 6.205 9 HB3 ASP 2 HB3 ASP 2 10.517 -10.060 5.273 10 HD2 ASP 2 HD2 ASP 2 9.058 -10.806 3.890 11 H GLU 3 H GLU 3 12.555 -9.087 2.327 12 HA GLU 3 HA GLU 3 13.436 -6.893 3.987 13 HB2 GLU 3 HB2 GLU 3 14.155 -5.841 1.924 14 HB3 GLU 3 HB3 GLU 3 14.684 -7.511 1.892 15 HG2 GLU 3 HG2 GLU 3 12.346 -7.916 0.669 16 HG3 GLU 3 HG3 GLU 3 12.451 -6.200 0.327 17 HE2 GLU 3 HE2 GLU 3 15.532 -8.481 -0.572 18 H THR 4 H THR 4 12.472 -4.693 3.675 19 HA THR 4 HA THR 4 9.667 -4.797 3.887 20 HB THR 4 HB THR 4 10.003 -2.245 3.840 21 HG1 THR 4 HG1 THR 4 11.888 -2.360 2.410 22 HG21 THR 4 HG21 THR 4 11.647 -2.218 5.814 23 HG22 THR 4 HG22 THR 4 10.239 -3.285 6.034 24 HG23 THR 4 HG23 THR 4 11.819 -3.975 5.592 25 H LEU 5 H LEU 5 8.100 -3.549 2.549 26 HA LEU 5 HA LEU 5 8.220 -4.492 -0.094 27 HB2 LEU 5 HB2 LEU 5 6.240 -3.842 1.525 28 HB3 LEU 5 HB3 LEU 5 6.389 -2.284 0.736 29 HG LEU 5 HG LEU 5 6.361 -4.056 -1.398 30 HD11 LEU 5 HD11 LEU 5 4.182 -4.971 0.483 31 HD12 LEU 5 HD12 LEU 5 4.651 -5.650 -1.094 32 HD13 LEU 5 HD13 LEU 5 5.731 -5.830 0.309 33 HD21 LEU 5 HD21 LEU 5 5.219 -1.829 -1.094 34 HD22 LEU 5 HD22 LEU 5 4.272 -3.070 -1.949 35 HD23 LEU 5 HD23 LEU 5 3.917 -2.697 -0.245 36 H ALA 6 H ALA 6 8.788 -1.263 1.415 37 HA ALA 6 HA ALA 6 9.080 0.190 -0.914 38 HB1 ALA 6 HB1 ALA 6 10.690 1.552 0.654 39 HB2 ALA 6 HB2 ALA 6 8.963 1.425 1.066 40 HB3 ALA 6 HB3 ALA 6 10.153 0.398 1.899 41 H GLU 7 H GLU 7 11.192 -2.204 0.615 42 HA GLU 7 HA GLU 7 13.502 -1.377 -0.789 43 HB2 GLU 7 HB2 GLU 7 13.607 -2.603 1.366 44 HB3 GLU 7 HB3 GLU 7 12.857 -4.002 0.625 45 HG2 GLU 7 HG2 GLU 7 14.757 -4.431 -0.774 46 HG3 GLU 7 HG3 GLU 7 15.416 -2.827 -0.520 47 HE2 GLU 7 HE2 GLU 7 16.570 -5.401 0.027 48 H PHE 8 H PHE 8 11.377 -4.327 -1.044 49 HA PHE 8 HA PHE 8 12.433 -5.475 -3.229 50 HB2 PHE 8 HB2 PHE 8 10.490 -6.334 -1.943 51 HB3 PHE 8 HB3 PHE 8 9.519 -4.950 -2.405 52 HD1 PHE 8 HD1 PHE 8 11.378 -7.782 -3.975 53 HD2 PHE 8 HD2 PHE 8 8.023 -5.190 -4.148 54 HE1 PHE 8 HE1 PHE 8 10.490 -9.063 -5.943 55 HE2 PHE 8 HE2 PHE 8 7.135 -6.470 -6.116 56 HZ PHE 8 HZ PHE 8 8.379 -8.392 -6.990 57 H HIS 9 H HIS 9 10.356 -2.550 -3.134 58 HA HIS 9 HA HIS 9 10.031 -2.486 -5.957 59 HB2 HIS 9 HB2 HIS 9 9.374 -0.669 -3.661 60 HB3 HIS 9 HB3 HIS 9 9.324 -0.032 -5.293 61 HD1 HIS 9 HD1 HIS 9 7.646 -2.591 -3.059 62 HD2 HIS 9 HD2 HIS 9 7.147 -0.862 -6.848 63 HE1 HIS 9 HE1 HIS 9 5.334 -3.303 -3.872 64 H VAL 10 H VAL 10 12.262 -1.040 -3.549 65 HA VAL 10 HA VAL 10 13.457 0.838 -5.197 66 HB VAL 10 HB VAL 10 14.260 -0.715 -2.768 67 HG11 VAL 10 HG11 VAL 10 16.291 1.043 -2.868 68 HG12 VAL 10 HG12 VAL 10 16.415 -0.615 -3.503 69 HG13 VAL 10 HG13 VAL 10 16.094 0.741 -4.611 70 HG21 VAL 10 HG21 VAL 10 13.502 1.088 -1.691 71 HG22 VAL 10 HG22 VAL 10 14.519 2.174 -2.667 72 HG23 VAL 10 HG23 VAL 10 12.908 1.697 -3.255 73 H GLU 11 H GLU 11 14.454 -2.590 -4.511 74 HA GLU 11 HA GLU 11 16.609 -2.634 -6.167 75 HB2 GLU 11 HB2 GLU 11 15.892 -4.425 -4.540 76 HB3 GLU 11 HB3 GLU 11 14.663 -4.932 -5.682 77 HG2 GLU 11 HG2 GLU 11 16.575 -5.201 -7.407 78 HG3 GLU 11 HG3 GLU 11 17.686 -5.004 -6.066 79 HE2 GLU 11 HE2 GLU 11 18.027 -7.595 -5.173 80 H MET 12 H MET 12 13.238 -2.372 -6.988 81 HA MET 12 HA MET 12 13.810 -3.224 -9.709 82 HB2 MET 12 HB2 MET 12 11.400 -3.118 -7.930 83 HB3 MET 12 HB3 MET 12 11.087 -2.662 -9.593 84 HG2 MET 12 HG2 MET 12 11.115 -4.844 -10.217 85 HG3 MET 12 HG3 MET 12 12.767 -5.002 -9.655 86 HE1 MET 12 HE1 MET 12 9.829 -4.382 -6.561 87 HE2 MET 12 HE2 MET 12 9.527 -4.036 -8.281 88 HE3 MET 12 HE3 MET 12 8.872 -5.517 -7.543 89 H GLY 13 H GLY 13 14.564 -0.581 -8.281 90 HA2 GLY 13 HA2 GLY 13 14.291 1.143 -10.434 91 HA3 GLY 13 HA3 GLY 13 12.936 1.472 -9.372 92 H GLY 14 H GLY 14 13.403 1.966 -7.036 93 HA2 GLY 14 HA2 GLY 14 15.779 2.335 -5.821 94 HA3 GLY 14 HA3 GLY 14 15.681 3.739 -6.865 95 H CYS 15 H CYS 15 15.687 4.846 -4.648 96 HA CYS 15 HA CYS 15 13.373 4.581 -3.043 97 HB2 CYS 15 HB2 CYS 15 15.533 6.696 -3.121 98 HB3 CYS 15 HB3 CYS 15 14.250 6.640 -1.927 99 H GLU 16 H GLU 16 14.168 6.165 -6.032 100 HA GLU 16 HA GLU 16 12.264 8.268 -5.694 101 HB2 GLU 16 HB2 GLU 16 13.874 7.339 -8.112 102 HB3 GLU 16 HB3 GLU 16 12.837 8.751 -8.113 103 HG2 GLU 16 HG2 GLU 16 14.866 9.752 -7.561 104 HG3 GLU 16 HG3 GLU 16 14.248 9.427 -5.953 105 HE2 GLU 16 HE2 GLU 16 17.072 8.277 -5.191 106 H ASN 17 H ASN 17 11.692 5.140 -5.761 107 HA ASN 17 HA ASN 17 10.092 4.801 -8.039 108 HB2 ASN 17 HB2 ASN 17 11.160 3.031 -6.381 109 HB3 ASN 17 HB3 ASN 17 9.709 3.278 -5.430 110 HD21 ASN 17 HD21 ASN 17 7.641 3.341 -6.860 111 HD22 ASN 17 HD22 ASN 17 7.454 2.025 -7.971 112 H CYS 18 H CYS 18 9.689 6.212 -4.822 113 HA CYS 18 HA CYS 18 6.972 6.926 -5.513 114 HB2 CYS 18 HB2 CYS 18 7.407 5.839 -2.743 115 HB3 CYS 18 HB3 CYS 18 5.911 6.055 -3.630 116 H HIS 19 H HIS 19 9.721 8.168 -5.309 117 HA HIS 19 HA HIS 19 8.934 10.316 -3.535 118 HB2 HIS 19 HB2 HIS 19 11.573 8.849 -3.271 119 HB3 HIS 19 HB3 HIS 19 11.221 10.397 -2.527 120 HD1 HIS 19 HD1 HIS 19 8.349 9.842 -1.459 121 HD2 HIS 19 HD2 HIS 19 11.575 7.186 -1.086 122 HE1 HIS 19 HE1 HIS 19 7.806 8.331 0.524 123 H ALA 20 H ALA 20 9.452 12.311 -4.385 124 HA ALA 20 HA ALA 20 10.837 12.232 -6.954 125 HB1 ALA 20 HB1 ALA 20 9.868 14.638 -7.014 126 HB2 ALA 20 HB2 ALA 20 8.729 13.276 -7.144 127 HB3 ALA 20 HB3 ALA 20 8.914 14.137 -5.597 128 H ASP 21 H ASP 21 12.934 12.844 -7.092 129 HA ASP 21 HA ASP 21 14.906 13.503 -6.422 130 HB2 ASP 21 HB2 ASP 21 13.712 15.647 -7.183 131 HB3 ASP 21 HB3 ASP 21 13.445 16.016 -5.490 132 HD2 ASP 21 HD2 ASP 21 14.744 17.863 -6.582 133 H GLY 22 H GLY 22 13.521 11.966 -4.393 134 HA2 GLY 22 HA2 GLY 22 13.624 11.429 -2.215 135 HA3 GLY 22 HA3 GLY 22 15.078 12.404 -2.136 136 H GLU 23 H GLU 23 11.520 13.056 -2.580 137 HA GLU 23 HA GLU 23 11.663 14.724 -0.222 138 HB2 GLU 23 HB2 GLU 23 11.960 16.008 -2.543 139 HB3 GLU 23 HB3 GLU 23 10.219 15.831 -2.629 140 HG2 GLU 23 HG2 GLU 23 10.280 16.750 -0.134 141 HG3 GLU 23 HG3 GLU 23 11.867 17.340 -0.585 142 HE2 GLU 23 HE2 GLU 23 11.260 19.205 -2.955 143 HA PRO 24 HA PRO 24 8.227 11.622 -0.184 144 HB2 PRO 24 HB2 PRO 24 8.535 12.520 2.695 145 HB3 PRO 24 HB3 PRO 24 8.312 10.882 2.000 146 HG2 PRO 24 HG2 PRO 24 10.760 11.737 2.837 147 HG3 PRO 24 HG3 PRO 24 10.402 10.639 1.464 148 HD2 PRO 24 HD2 PRO 24 11.209 13.566 1.489 149 HD3 PRO 24 HD3 PRO 24 11.604 12.292 0.296 150 H SER 25 H SER 25 6.182 12.369 -0.734 151 HA SER 25 HA SER 25 5.470 14.969 -0.642 152 HB2 SER 25 HB2 SER 25 3.378 14.260 -1.368 153 HB3 SER 25 HB3 SER 25 4.331 12.828 -1.703 154 HG SER 25 HG SER 25 2.821 11.857 -0.517 155 H LYS 26 H LYS 26 3.815 16.130 0.713 156 HA LYS 26 HA LYS 26 4.050 15.270 3.510 157 HB2 LYS 26 HB2 LYS 26 3.800 17.634 4.092 158 HB3 LYS 26 HB3 LYS 26 5.185 17.371 3.052 159 HG2 LYS 26 HG2 LYS 26 2.852 17.855 1.394 160 HG3 LYS 26 HG3 LYS 26 2.955 19.118 2.605 161 HD2 LYS 26 HD2 LYS 26 4.847 20.025 1.684 162 HD3 LYS 26 HD3 LYS 26 5.580 18.458 1.403 163 HE2 LYS 26 HE2 LYS 26 4.543 18.189 -0.701 164 HE3 LYS 26 HE3 LYS 26 3.226 19.278 -0.310 165 HZ1 LYS 26 HZ1 LYS 26 5.377 20.909 -0.155 166 HZ2 LYS 26 HZ2 LYS 26 5.837 19.918 -1.362 167 H ASP 27 H ASP 27 2.121 14.159 1.604 168 HA ASP 27 HA ASP 27 -0.236 14.960 3.068 169 HB2 ASP 27 HB2 ASP 27 -1.485 14.695 0.758 170 HB3 ASP 27 HB3 ASP 27 -0.727 16.222 1.160 171 HD2 ASP 27 HD2 ASP 27 -0.826 16.371 -1.216 172 H GLY 28 H GLY 28 0.831 12.924 0.226 173 HA2 GLY 28 HA2 GLY 28 1.180 10.523 0.777 174 HA3 GLY 28 HA3 GLY 28 -0.388 10.580 1.559 175 H ALA 29 H ALA 29 -1.578 12.456 -0.451 176 HA ALA 29 HA ALA 29 -2.631 10.558 -2.193 177 HB1 ALA 29 HB1 ALA 29 -3.342 13.025 -1.394 178 HB2 ALA 29 HB2 ALA 29 -2.612 13.451 -2.960 179 HB3 ALA 29 HB3 ALA 29 -3.964 12.296 -2.894 180 H TYR 30 H TYR 30 -0.025 12.956 -2.533 181 HA TYR 30 HA TYR 30 0.503 12.710 -5.269 182 HB2 TYR 30 HB2 TYR 30 1.511 14.354 -3.692 183 HB3 TYR 30 HB3 TYR 30 2.500 13.053 -3.007 184 HD1 TYR 30 HD1 TYR 30 1.644 13.767 -6.585 185 HD2 TYR 30 HD2 TYR 30 4.702 13.594 -3.573 186 HE1 TYR 30 HE1 TYR 30 3.373 14.168 -8.317 187 HE2 TYR 30 HE2 TYR 30 6.431 13.996 -5.305 188 HH TYR 30 HH TYR 30 5.907 15.202 -8.268 189 H GLU 31 H GLU 31 1.754 10.689 -2.503 190 HA GLU 31 HA GLU 31 3.342 9.131 -4.199 191 HB2 GLU 31 HB2 GLU 31 2.740 9.308 -1.382 192 HB3 GLU 31 HB3 GLU 31 2.585 7.630 -1.865 193 HG2 GLU 31 HG2 GLU 31 4.862 7.624 -1.519 194 HG3 GLU 31 HG3 GLU 31 4.892 8.207 -3.171 195 HE2 GLU 31 HE2 GLU 31 4.378 9.698 -0.015 196 H PHE 32 H PHE 32 0.049 8.678 -2.759 197 HA PHE 32 HA PHE 32 -0.499 6.152 -3.542 198 HB2 PHE 32 HB2 PHE 32 -2.062 7.551 -2.265 199 HB3 PHE 32 HB3 PHE 32 -2.114 8.759 -3.534 200 HD1 PHE 32 HD1 PHE 32 -2.459 5.079 -3.912 201 HD2 PHE 32 HD2 PHE 32 -4.395 8.853 -4.041 202 HE1 PHE 32 HE1 PHE 32 -4.513 3.993 -4.861 203 HE2 PHE 32 HE2 PHE 32 -6.449 7.766 -4.990 204 HZ PHE 32 HZ PHE 32 -6.483 5.349 -5.389 205 H GLU 33 H GLU 33 -0.028 8.976 -5.601 206 HA GLU 33 HA GLU 33 -1.452 7.972 -7.803 207 HB2 GLU 33 HB2 GLU 33 0.139 10.314 -7.136 208 HB3 GLU 33 HB3 GLU 33 0.595 9.728 -8.724 209 HG2 GLU 33 HG2 GLU 33 -2.088 9.534 -9.006 210 HG3 GLU 33 HG3 GLU 33 -2.062 10.781 -7.775 211 HE2 GLU 33 HE2 GLU 33 -0.728 13.201 -9.543 212 H GLN 34 H GLN 34 1.984 7.833 -6.723 213 HA GLN 34 HA GLN 34 3.076 6.801 -8.999 214 HB2 GLN 34 HB2 GLN 34 3.780 6.266 -6.081 215 HB3 GLN 34 HB3 GLN 34 4.802 5.796 -7.425 216 HG2 GLN 34 HG2 GLN 34 4.056 8.597 -6.520 217 HG3 GLN 34 HG3 GLN 34 5.657 7.913 -6.722 218 HE21 GLN 34 HE21 GLN 34 4.174 10.286 -7.860 219 HE22 GLN 34 HE22 GLN 34 4.407 10.202 -9.574 220 H CYS 35 H CYS 35 1.171 5.204 -6.427 221 HA CYS 35 HA CYS 35 1.710 2.599 -7.525 222 HB2 CYS 35 HB2 CYS 35 -0.438 2.990 -5.513 223 HB3 CYS 35 HB3 CYS 35 0.773 1.730 -5.645 224 H GLN 36 H GLN 36 0.733 4.116 -9.576 225 HA GLN 36 HA GLN 36 -1.824 2.888 -9.994 226 HB2 GLN 36 HB2 GLN 36 -1.674 5.626 -9.203 227 HB3 GLN 36 HB3 GLN 36 -2.048 5.634 -10.915 228 HG2 GLN 36 HG2 GLN 36 -4.098 4.560 -10.625 229 HG3 GLN 36 HG3 GLN 36 -3.561 3.673 -9.212 230 HE21 GLN 36 HE21 GLN 36 -2.638 5.476 -7.504 231 HE22 GLN 36 HE22 GLN 36 -3.844 6.624 -7.026 232 H SER 37 H SER 37 0.104 1.824 -11.286 233 HA SER 37 HA SER 37 -0.242 2.654 -13.950 234 HB2 SER 37 HB2 SER 37 2.524 3.019 -12.716 235 HB3 SER 37 HB3 SER 37 2.204 3.042 -14.439 236 HG SER 37 HG SER 37 1.380 4.926 -12.428 237 H CYS 38 H CYS 38 2.531 1.104 -12.172 238 HA CYS 38 HA CYS 38 2.576 -1.099 -13.896 239 HB2 CYS 38 HB2 CYS 38 3.719 -1.083 -11.097 240 HB3 CYS 38 HB3 CYS 38 4.283 -1.974 -12.496 241 H HIS 39 H HIS 39 0.444 -0.152 -11.373 242 HA HIS 39 HA HIS 39 -0.408 -2.936 -11.028 243 HB2 HIS 39 HB2 HIS 39 -0.581 -0.605 -9.101 244 HB3 HIS 39 HB3 HIS 39 -1.402 -2.134 -8.860 245 HD1 HIS 39 HD1 HIS 39 0.517 -4.294 -9.181 246 HD2 HIS 39 HD2 HIS 39 1.757 -0.564 -7.717 247 HE1 HIS 39 HE1 HIS 39 2.702 -4.707 -7.931 248 H GLY 40 H GLY 40 -2.125 0.070 -10.088 249 HA2 GLY 40 HA2 GLY 40 -3.655 0.740 -12.154 250 HA3 GLY 40 HA3 GLY 40 -4.399 -0.779 -11.697 251 H SER 41 H SER 41 -6.363 0.408 -11.125 252 HA SER 41 HA SER 41 -6.046 2.031 -8.733 253 HB2 SER 41 HB2 SER 41 -7.291 3.356 -10.166 254 HB3 SER 41 HB3 SER 41 -7.996 1.988 -11.004 255 HG SER 41 HG SER 41 -9.372 3.382 -9.443 256 H LEU 42 H LEU 42 -7.389 1.602 -6.855 257 HA LEU 42 HA LEU 42 -7.712 -1.073 -6.248 258 HB2 LEU 42 HB2 LEU 42 -9.109 1.298 -5.002 259 HB3 LEU 42 HB3 LEU 42 -8.904 -0.285 -4.279 260 HG LEU 42 HG LEU 42 -6.409 1.096 -5.116 261 HD11 LEU 42 HD11 LEU 42 -7.485 1.990 -2.493 262 HD12 LEU 42 HD12 LEU 42 -6.412 2.820 -3.645 263 HD13 LEU 42 HD13 LEU 42 -8.164 2.750 -3.952 264 HD21 LEU 42 HD21 LEU 42 -7.246 -1.006 -3.319 265 HD22 LEU 42 HD22 LEU 42 -5.619 -0.589 -3.907 266 HD23 LEU 42 HD23 LEU 42 -6.274 0.211 -2.458 267 H ALA 43 H ALA 43 -9.905 1.257 -7.814 268 HA ALA 43 HA ALA 43 -12.216 -0.371 -7.536 269 HB1 ALA 43 HB1 ALA 43 -12.031 2.172 -7.931 270 HB2 ALA 43 HB2 ALA 43 -11.735 1.761 -9.637 271 HB3 ALA 43 HB3 ALA 43 -13.266 1.291 -8.861 272 H GLU 44 H GLU 44 -9.340 -0.818 -9.229 273 HA GLU 44 HA GLU 44 -10.760 -2.408 -11.222 274 HB2 GLU 44 HB2 GLU 44 -9.098 -0.274 -11.775 275 HB3 GLU 44 HB3 GLU 44 -7.968 -1.611 -11.860 276 HG2 GLU 44 HG2 GLU 44 -8.756 -1.679 -14.038 277 HG3 GLU 44 HG3 GLU 44 -9.935 -2.742 -13.298 278 HE2 GLU 44 HE2 GLU 44 -12.425 -0.176 -13.313 279 H MET 45 H MET 45 -9.835 -3.057 -8.424 280 HA MET 45 HA MET 45 -7.871 -5.092 -9.152 281 HB2 MET 45 HB2 MET 45 -8.422 -3.652 -6.501 282 HB3 MET 45 HB3 MET 45 -7.351 -5.033 -6.622 283 HG2 MET 45 HG2 MET 45 -6.239 -3.559 -8.584 284 HG3 MET 45 HG3 MET 45 -6.976 -2.238 -7.699 285 HE1 MET 45 HE1 MET 45 -3.457 -2.282 -7.510 286 HE2 MET 45 HE2 MET 45 -4.926 -1.280 -7.567 287 HE3 MET 45 HE3 MET 45 -3.970 -1.373 -6.068 288 H ASP 46 H ASP 46 -8.054 -6.793 -6.961 289 HA ASP 46 HA ASP 46 -10.100 -8.411 -7.607 290 HB2 ASP 46 HB2 ASP 46 -9.715 -8.770 -4.808 291 HB3 ASP 46 HB3 ASP 46 -8.965 -9.674 -6.109 292 HD2 ASP 46 HD2 ASP 46 -6.327 -8.492 -6.495 293 H ASP 47 H ASP 47 -11.810 -9.127 -5.645 294 HA ASP 47 HA ASP 47 -13.511 -6.854 -5.439 295 HB2 ASP 47 HB2 ASP 47 -13.697 -9.806 -4.923 296 HB3 ASP 47 HB3 ASP 47 -14.803 -8.793 -4.017 297 HD2 ASP 47 HD2 ASP 47 -16.792 -7.975 -6.564 298 H ASN 48 H ASN 48 -10.827 -7.589 -3.778 299 HA ASN 48 HA ASN 48 -11.994 -7.291 -1.139 300 HB2 ASN 48 HB2 ASN 48 -9.061 -7.781 -1.858 301 HB3 ASN 48 HB3 ASN 48 -9.801 -7.984 -0.282 302 HD21 ASN 48 HD21 ASN 48 -8.469 -10.056 -1.072 303 HD22 ASN 48 HD22 ASN 48 -9.459 -11.357 -1.644 304 H HIS 49 H HIS 49 -10.038 -5.748 -3.671 305 HA HIS 49 HA HIS 49 -9.189 -3.629 -1.896 306 HB2 HIS 49 HB2 HIS 49 -8.616 -4.345 -4.770 307 HB3 HIS 49 HB3 HIS 49 -8.173 -2.779 -4.121 308 HD1 HIS 49 HD1 HIS 49 -7.457 -6.484 -3.604 309 HD2 HIS 49 HD2 HIS 49 -5.859 -2.740 -2.591 310 HE1 HIS 49 HE1 HIS 49 -5.179 -6.941 -2.550 311 H LYS 50 H LYS 50 -11.493 -4.284 -4.561 312 HA LYS 50 HA LYS 50 -12.235 -1.723 -5.185 313 HB2 LYS 50 HB2 LYS 50 -13.605 -4.387 -5.232 314 HB3 LYS 50 HB3 LYS 50 -14.560 -2.950 -5.537 315 HG2 LYS 50 HG2 LYS 50 -12.623 -2.302 -7.207 316 HG3 LYS 50 HG3 LYS 50 -12.179 -3.994 -7.103 317 HD2 LYS 50 HD2 LYS 50 -15.057 -3.225 -7.677 318 HD3 LYS 50 HD3 LYS 50 -13.875 -3.199 -8.971 319 HE2 LYS 50 HE2 LYS 50 -13.259 -5.616 -8.269 320 HE3 LYS 50 HE3 LYS 50 -14.694 -5.589 -7.264 321 HZ1 LYS 50 HZ1 LYS 50 -14.876 -4.882 -10.128 322 HZ2 LYS 50 HZ2 LYS 50 -14.929 -6.441 -9.660 323 HA PRO 51 HA PRO 51 -15.781 -2.533 -1.622 324 HB2 PRO 51 HB2 PRO 51 -13.505 -3.563 0.124 325 HB3 PRO 51 HB3 PRO 51 -15.267 -3.885 0.203 326 HG2 PRO 51 HG2 PRO 51 -13.433 -5.530 -1.135 327 HG3 PRO 51 HG3 PRO 51 -15.172 -5.582 -1.571 328 HD2 PRO 51 HD2 PRO 51 -12.926 -4.646 -3.170 329 HD3 PRO 51 HD3 PRO 51 -14.664 -4.589 -3.595 330 H HIS 52 H HIS 52 -12.249 -1.752 -1.091 331 HA HIS 52 HA HIS 52 -12.990 0.452 0.580 332 HB2 HIS 52 HB2 HIS 52 -10.326 -0.490 -0.513 333 HB3 HIS 52 HB3 HIS 52 -10.513 0.876 0.569 334 HD1 HIS 52 HD1 HIS 52 -9.746 -2.612 0.654 335 HD2 HIS 52 HD2 HIS 52 -12.001 -0.050 3.092 336 HE1 HIS 52 HE1 HIS 52 -9.963 -3.781 2.912 337 H ASP 53 H ASP 53 -11.224 0.119 -2.587 338 HA ASP 53 HA ASP 53 -10.668 1.871 -3.914 339 HB2 ASP 53 HB2 ASP 53 -12.279 0.663 -5.184 340 HB3 ASP 53 HB3 ASP 53 -13.609 1.188 -4.171 341 HD2 ASP 53 HD2 ASP 53 -14.848 2.225 -5.699 342 H GLY 54 H GLY 54 -10.109 3.745 -2.624 343 HA2 GLY 54 HA2 GLY 54 -10.373 5.981 -2.235 344 HA3 GLY 54 HA3 GLY 54 -12.063 5.879 -2.687 345 H LEU 55 H LEU 55 -9.866 4.515 -0.120 346 HA LEU 55 HA LEU 55 -11.638 5.598 1.892 347 HB2 LEU 55 HB2 LEU 55 -11.508 2.729 1.195 348 HB3 LEU 55 HB3 LEU 55 -11.378 3.100 2.903 349 HG LEU 55 HG LEU 55 -13.662 3.761 1.035 350 HD11 LEU 55 HD11 LEU 55 -13.191 1.801 3.226 351 HD12 LEU 55 HD12 LEU 55 -14.811 2.531 3.105 352 HD13 LEU 55 HD13 LEU 55 -14.127 1.646 1.720 353 HD21 LEU 55 HD21 LEU 55 -13.675 5.702 2.262 354 HD22 LEU 55 HD22 LEU 55 -14.678 4.649 3.289 355 HD23 LEU 55 HD23 LEU 55 -12.970 4.932 3.704 356 H LEU 56 H LEU 56 -8.745 3.602 1.060 357 HA LEU 56 HA LEU 56 -7.214 5.227 2.901 358 HB2 LEU 56 HB2 LEU 56 -6.239 2.807 3.612 359 HB3 LEU 56 HB3 LEU 56 -7.377 3.755 4.549 360 HG LEU 56 HG LEU 56 -9.238 2.463 3.776 361 HD11 LEU 56 HD11 LEU 56 -7.400 1.710 1.614 362 HD12 LEU 56 HD12 LEU 56 -8.359 0.356 2.258 363 HD13 LEU 56 HD13 LEU 56 -9.177 1.809 1.638 364 HD21 LEU 56 HD21 LEU 56 -6.887 0.731 4.569 365 HD22 LEU 56 HD22 LEU 56 -8.117 1.464 5.627 366 HD23 LEU 56 HD23 LEU 56 -8.571 0.157 4.507 367 H MET 57 H MET 57 -4.901 5.102 2.475 368 HA MET 57 HA MET 57 -4.440 4.688 -0.283 369 HB2 MET 57 HB2 MET 57 -3.401 6.468 1.304 370 HB3 MET 57 HB3 MET 57 -2.383 5.188 1.934 371 HG2 MET 57 HG2 MET 57 -1.285 4.865 -0.186 372 HG3 MET 57 HG3 MET 57 -2.510 5.770 -1.053 373 HE1 MET 57 HE1 MET 57 1.316 7.437 -0.282 374 HE2 MET 57 HE2 MET 57 0.818 5.732 -0.164 375 HE3 MET 57 HE3 MET 57 0.474 6.660 -1.643 376 H CYS 58 H CYS 58 -2.431 3.427 -1.066 377 HA CYS 58 HA CYS 58 -2.771 0.755 -0.465 378 HB2 CYS 58 HB2 CYS 58 -0.247 1.944 -1.614 379 HB3 CYS 58 HB3 CYS 58 -0.888 0.331 -1.859 380 H ALA 59 H ALA 59 0.266 2.673 0.134 381 HA ALA 59 HA ALA 59 1.525 1.029 1.825 382 HB1 ALA 59 HB1 ALA 59 2.402 3.181 1.012 383 HB2 ALA 59 HB2 ALA 59 1.273 4.054 2.076 384 HB3 ALA 59 HB3 ALA 59 2.571 3.060 2.780 385 H ASP 60 H ASP 60 -0.937 3.509 2.828 386 HA ASP 60 HA ASP 60 -0.989 3.274 5.419 387 HB2 ASP 60 HB2 ASP 60 -2.670 4.484 3.966 388 HB3 ASP 60 HB3 ASP 60 -3.495 2.961 3.700 389 HD2 ASP 60 HD2 ASP 60 -3.027 5.421 6.195 390 H CYS 61 H CYS 61 -1.980 0.758 3.076 391 HA CYS 61 HA CYS 61 -2.745 -0.986 5.291 392 HB2 CYS 61 HB2 CYS 61 -3.821 -0.575 2.654 393 HB3 CYS 61 HB3 CYS 61 -3.264 -2.231 2.783 394 H HIS 62 H HIS 62 -0.700 -0.669 2.323 395 HA HIS 62 HA HIS 62 0.722 -3.085 3.093 396 HB2 HIS 62 HB2 HIS 62 0.780 -1.382 0.589 397 HB3 HIS 62 HB3 HIS 62 1.851 -2.742 0.861 398 HD1 HIS 62 HD1 HIS 62 0.258 -5.040 1.671 399 HD2 HIS 62 HD2 HIS 62 -1.348 -2.154 -0.914 400 HE1 HIS 62 HE1 HIS 62 -1.671 -6.174 0.445 401 H ALA 63 H ALA 63 1.211 -1.422 5.070 402 HA ALA 63 HA ALA 63 2.860 0.655 4.990 403 HB1 ALA 63 HB1 ALA 63 2.688 0.169 7.178 404 HB2 ALA 63 HB2 ALA 63 2.299 -1.531 6.821 405 HB3 ALA 63 HB3 ALA 63 3.997 -1.017 6.960 406 HA PRO 64 HA PRO 64 6.042 -1.083 2.278 407 HB2 PRO 64 HB2 PRO 64 6.697 1.834 2.088 408 HB3 PRO 64 HB3 PRO 64 6.312 0.638 0.807 409 HG2 PRO 64 HG2 PRO 64 4.290 2.506 1.399 410 HG3 PRO 64 HG3 PRO 64 4.121 0.769 0.981 411 HD2 PRO 64 HD2 PRO 64 4.317 2.085 3.758 412 HD3 PRO 64 HD3 PRO 64 3.011 1.035 3.131 413 H HIS 65 H HIS 65 6.625 1.822 4.444 414 HA HIS 65 HA HIS 65 9.257 0.789 4.982 415 HB2 HIS 65 HB2 HIS 65 7.774 3.291 5.805 416 HB3 HIS 65 HB3 HIS 65 9.353 2.884 6.445 417 HD1 HIS 65 HD1 HIS 65 11.015 2.082 4.117 418 HD2 HIS 65 HD2 HIS 65 8.125 5.107 3.812 419 HE1 HIS 65 HE1 HIS 65 11.684 3.510 2.111 420 H GLU 66 H GLU 66 7.953 -1.255 5.822 421 HA GLU 66 HA GLU 66 8.455 -1.492 8.465 422 HB2 GLU 66 HB2 GLU 66 6.129 0.075 8.175 423 HB3 GLU 66 HB3 GLU 66 5.524 -1.520 8.578 424 HG2 GLU 66 HG2 GLU 66 6.699 -1.590 10.646 425 HG3 GLU 66 HG3 GLU 66 7.834 -0.347 10.157 426 HE2 GLU 66 HE2 GLU 66 6.969 1.836 10.126 427 H ALA 67 H ALA 67 5.649 -2.322 6.293 428 HA ALA 67 HA ALA 67 5.591 -5.017 7.069 429 HB1 ALA 67 HB1 ALA 67 3.907 -5.215 5.451 430 HB2 ALA 67 HB2 ALA 67 3.835 -3.487 5.870 431 HB3 ALA 67 HB3 ALA 67 4.656 -4.007 4.379 432 H LYS 68 H LYS 68 6.056 -6.903 5.590 433 HA LYS 68 HA LYS 68 8.410 -6.340 3.928 434 HB2 LYS 68 HB2 LYS 68 8.094 -8.770 5.707 435 HB3 LYS 68 HB3 LYS 68 9.499 -8.312 4.765 436 HG2 LYS 68 HG2 LYS 68 8.434 -6.330 6.778 437 HG3 LYS 68 HG3 LYS 68 9.309 -7.724 7.380 438 HD2 LYS 68 HD2 LYS 68 10.941 -6.887 5.287 439 HD3 LYS 68 HD3 LYS 68 10.317 -5.363 5.886 440 HE2 LYS 68 HE2 LYS 68 10.970 -6.867 8.213 441 HE3 LYS 68 HE3 LYS 68 12.294 -7.146 7.099 442 HZ1 LYS 68 HZ1 LYS 68 11.809 -4.834 8.587 443 HZ2 LYS 68 HZ2 LYS 68 13.018 -5.078 7.524 444 H VAL 69 H VAL 69 8.402 -7.260 1.909 445 HA VAL 69 HA VAL 69 6.190 -7.934 0.617 446 HB VAL 69 HB VAL 69 9.040 -8.755 0.351 447 HG11 VAL 69 HG11 VAL 69 8.355 -10.766 -0.494 448 HG12 VAL 69 HG12 VAL 69 6.746 -10.157 -0.949 449 HG13 VAL 69 HG13 VAL 69 8.160 -9.774 -1.959 450 HG21 VAL 69 HG21 VAL 69 7.080 -6.974 -1.021 451 HG22 VAL 69 HG22 VAL 69 8.793 -6.705 -0.618 452 HG23 VAL 69 HG23 VAL 69 8.356 -7.709 -2.021 453 H GLY 70 H GLY 70 4.661 -9.517 0.593 454 HA2 GLY 70 HA2 GLY 70 3.788 -11.615 0.823 455 HA3 GLY 70 HA3 GLY 70 5.307 -12.196 1.477 456 H GLU 71 H GLU 71 3.528 -9.300 2.653 457 HA GLU 71 HA GLU 71 2.992 -10.810 5.092 458 HB2 GLU 71 HB2 GLU 71 4.834 -9.154 5.389 459 HB3 GLU 71 HB3 GLU 71 3.767 -7.868 4.861 460 HG2 GLU 71 HG2 GLU 71 3.092 -7.629 7.012 461 HG3 GLU 71 HG3 GLU 71 2.310 -9.193 6.891 462 HE2 GLU 71 HE2 GLU 71 4.579 -11.054 7.334 463 H LYS 72 H LYS 72 0.827 -11.321 4.540 464 HA LYS 72 HA LYS 72 -0.946 -9.448 3.441 465 HB2 LYS 72 HB2 LYS 72 -2.653 -11.094 3.912 466 HB3 LYS 72 HB3 LYS 72 -1.224 -11.889 3.285 467 HG2 LYS 72 HG2 LYS 72 -0.874 -11.780 6.116 468 HG3 LYS 72 HG3 LYS 72 -2.541 -12.255 5.860 469 HD2 LYS 72 HD2 LYS 72 -1.513 -14.343 5.762 470 HD3 LYS 72 HD3 LYS 72 -1.487 -13.917 4.062 471 HE2 LYS 72 HE2 LYS 72 0.813 -13.471 4.055 472 HE3 LYS 72 HE3 LYS 72 0.844 -13.019 5.748 473 HZ1 LYS 72 HZ1 LYS 72 0.436 -15.805 4.797 474 HZ2 LYS 72 HZ2 LYS 72 1.863 -15.219 5.320 475 HA PRO 73 HA PRO 73 -1.256 -6.693 6.899 476 HB2 PRO 73 HB2 PRO 73 -3.679 -5.975 5.201 477 HB3 PRO 73 HB3 PRO 73 -2.472 -4.924 6.012 478 HG2 PRO 73 HG2 PRO 73 -2.300 -5.460 3.307 479 HG3 PRO 73 HG3 PRO 73 -0.863 -5.381 4.377 480 HD2 PRO 73 HD2 PRO 73 -2.409 -7.795 3.326 481 HD3 PRO 73 HD3 PRO 73 -0.640 -7.573 3.487 482 H THR 74 H THR 74 -2.869 -6.332 8.665 483 HA THR 74 HA THR 74 -4.798 -8.557 8.759 484 HB THR 74 HB THR 74 -4.465 -8.313 11.264 485 HG1 THR 74 HG1 THR 74 -2.743 -6.822 11.844 486 HG21 THR 74 HG21 THR 74 -1.656 -8.458 10.214 487 HG22 THR 74 HG22 THR 74 -2.512 -9.575 11.304 488 HG23 THR 74 HG23 THR 74 -2.801 -9.647 9.549 489 H CYS 75 H CYS 75 -6.915 -8.123 8.819 490 HA CYS 75 HA CYS 75 -7.794 -5.496 8.496 491 HB2 CYS 75 HB2 CYS 75 -9.590 -7.699 9.461 492 HB3 CYS 75 HB3 CYS 75 -9.953 -6.366 8.383 493 H ASP 76 H ASP 76 -7.146 -7.563 11.298 494 HA ASP 76 HA ASP 76 -8.763 -6.384 13.158 495 HB2 ASP 76 HB2 ASP 76 -6.356 -8.058 13.112 496 HB3 ASP 76 HB3 ASP 76 -6.305 -6.946 14.466 497 HD2 ASP 76 HD2 ASP 76 -7.952 -10.198 14.081 498 H THR 77 H THR 77 -6.120 -5.083 11.350 499 HA THR 77 HA THR 77 -5.277 -3.185 13.365 500 HB THR 77 HB THR 77 -4.580 -3.430 10.392 501 HG1 THR 77 HG1 THR 77 -3.394 -4.451 12.878 502 HG21 THR 77 HG21 THR 77 -2.538 -2.608 12.377 503 HG22 THR 77 HG22 THR 77 -2.916 -1.894 10.791 504 HG23 THR 77 HG23 THR 77 -3.868 -1.436 12.224 505 H CYS 78 H CYS 78 -8.122 -3.438 11.904 506 HA CYS 78 HA CYS 78 -8.549 -0.624 12.040 507 HB2 CYS 78 HB2 CYS 78 -8.400 -1.977 9.373 508 HB3 CYS 78 HB3 CYS 78 -9.660 -0.783 9.620 509 H HIS 79 H HIS 79 -9.857 -3.702 10.589 510 HA HIS 79 HA HIS 79 -12.452 -3.070 11.692 511 HB2 HIS 79 HB2 HIS 79 -11.536 -5.402 9.985 512 HB3 HIS 79 HB3 HIS 79 -13.194 -5.053 10.432 513 HD1 HIS 79 HD1 HIS 79 -13.821 -2.316 9.709 514 HD2 HIS 79 HD2 HIS 79 -11.013 -4.492 7.478 515 HE1 HIS 79 HE1 HIS 79 -13.670 -1.168 7.436 516 H ASP 80 H ASP 80 -13.187 -3.828 13.617 517 HA ASP 80 HA ASP 80 -11.662 -6.037 14.760 518 HB2 ASP 80 HB2 ASP 80 -12.843 -3.524 15.944 519 HB3 ASP 80 HB3 ASP 80 -12.792 -4.955 16.955 520 HD2 ASP 80 HD2 ASP 80 -9.389 -4.711 17.504 521 H ASP 81 H ASP 81 -13.957 -6.305 12.953 522 HA ASP 81 HA ASP 81 -16.016 -7.132 14.842 523 HB2 ASP 81 HB2 ASP 81 -17.538 -7.067 12.800 524 HB3 ASP 81 HB3 ASP 81 -16.933 -5.508 13.323 525 HD2 ASP 81 HD2 ASP 81 -16.070 -4.403 10.872 526 H GLY 82 H GLY 82 -13.457 -8.531 13.864 527 HA2 GLY 82 HA2 GLY 82 -13.065 -10.788 13.640 528 HA3 GLY 82 HA3 GLY 82 -14.717 -11.047 13.118 529 H ARG 83 H ARG 83 -14.060 -8.447 11.302 530 HA ARG 83 HA ARG 83 -14.071 -9.517 8.937 531 HB2 ARG 83 HB2 ARG 83 -13.246 -7.003 10.012 532 HB3 ARG 83 HB3 ARG 83 -11.998 -7.453 8.867 533 HG2 ARG 83 HG2 ARG 83 -13.906 -6.136 7.846 534 HG3 ARG 83 HG3 ARG 83 -13.599 -7.672 7.059 535 HD2 ARG 83 HD2 ARG 83 -15.721 -8.354 7.490 536 HD3 ARG 83 HD3 ARG 83 -15.465 -8.149 9.212 537 HE ARG 83 HE ARG 83 -16.465 -6.000 9.112 538 H THR 84 H THR 84 -12.798 -10.810 7.606 539 HA THR 84 HA THR 84 -9.955 -11.060 8.292 540 HB THR 84 HB THR 84 -10.342 -13.592 7.834 541 HG1 THR 84 HG1 THR 84 -13.026 -12.564 8.436 542 HG21 THR 84 HG21 THR 84 -11.975 -13.449 10.161 543 HG22 THR 84 HG22 THR 84 -10.208 -13.662 10.116 544 HG23 THR 84 HG23 THR 84 -10.905 -12.030 10.247 545 H ALA 85 H ALA 85 -8.616 -11.893 6.528 546 HA ALA 85 HA ALA 85 -9.309 -10.624 4.109 547 HB1 ALA 85 HB1 ALA 85 -7.065 -12.284 5.191 548 HB2 ALA 85 HB2 ALA 85 -7.207 -12.155 3.422 549 HB3 ALA 85 HB3 ALA 85 -7.030 -10.685 4.410 550 H LYS 86 H LYS 86 -9.597 -11.639 1.983 551 HA LYS 86 HA LYS 86 -10.200 -14.431 1.889 552 HB2 LYS 86 HB2 LYS 86 -12.263 -13.206 2.917 553 HB3 LYS 86 HB3 LYS 86 -12.539 -12.634 1.284 554 HG2 LYS 86 HG2 LYS 86 -11.945 -15.438 1.094 555 HG3 LYS 86 HG3 LYS 86 -13.097 -15.251 2.401 556 HD2 LYS 86 HD2 LYS 86 -14.165 -13.553 0.486 557 HD3 LYS 86 HD3 LYS 86 -13.461 -14.806 -0.518 558 HE2 LYS 86 HE2 LYS 86 -15.252 -16.122 -0.068 559 HE3 LYS 86 HE3 LYS 86 -14.743 -16.195 1.607 560 HZ1 LYS 86 HZ1 LYS 86 -16.743 -14.422 0.394 561 HZ2 LYS 86 HZ2 LYS 86 -16.823 -15.239 1.800 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 15.828 -9.746 9.291 2 HA ALA 1 HA ALA 1 16.485 -11.114 7.392 3 HB1 ALA 1 HB1 ALA 1 15.592 -12.364 9.201 4 HB2 ALA 1 HB2 ALA 1 13.938 -11.782 8.896 5 HB3 ALA 1 HB3 ALA 1 14.697 -12.934 7.772 6 H ASP 2 H ASP 2 12.996 -10.097 7.312 7 HA ASP 2 HA ASP 2 12.892 -10.795 4.542 8 HB2 ASP 2 HB2 ASP 2 10.871 -9.436 6.386 9 HB3 ASP 2 HB3 ASP 2 10.525 -9.918 4.737 10 HD2 ASP 2 HD2 ASP 2 10.535 -12.053 7.922 11 H GLU 3 H GLU 3 12.602 -9.223 2.808 12 HA GLU 3 HA GLU 3 13.683 -6.648 3.477 13 HB2 GLU 3 HB2 GLU 3 13.799 -6.346 1.001 14 HB3 GLU 3 HB3 GLU 3 14.608 -7.805 1.537 15 HG2 GLU 3 HG2 GLU 3 11.816 -8.416 1.023 16 HG3 GLU 3 HG3 GLU 3 12.475 -7.574 -0.365 17 HE2 GLU 3 HE2 GLU 3 13.377 -9.991 -1.726 18 H THR 4 H THR 4 12.488 -4.795 3.708 19 HA THR 4 HA THR 4 9.716 -4.866 3.822 20 HB THR 4 HB THR 4 9.996 -2.364 3.945 21 HG1 THR 4 HG1 THR 4 12.094 -1.576 3.375 22 HG21 THR 4 HG21 THR 4 12.425 -3.596 5.304 23 HG22 THR 4 HG22 THR 4 11.368 -2.290 5.894 24 HG23 THR 4 HG23 THR 4 10.784 -3.971 5.882 25 H LEU 5 H LEU 5 8.108 -3.698 2.516 26 HA LEU 5 HA LEU 5 8.220 -4.560 -0.138 27 HB2 LEU 5 HB2 LEU 5 6.251 -3.940 1.498 28 HB3 LEU 5 HB3 LEU 5 6.398 -2.363 0.746 29 HG LEU 5 HG LEU 5 6.352 -4.078 -1.432 30 HD11 LEU 5 HD11 LEU 5 4.686 -5.705 -1.161 31 HD12 LEU 5 HD12 LEU 5 5.730 -5.884 0.270 32 HD13 LEU 5 HD13 LEU 5 4.166 -5.045 0.409 33 HD21 LEU 5 HD21 LEU 5 3.770 -2.969 -0.424 34 HD22 LEU 5 HD22 LEU 5 5.107 -1.840 -0.747 35 HD23 LEU 5 HD23 LEU 5 4.501 -2.895 -2.046 36 H ALA 6 H ALA 6 9.010 -1.448 1.454 37 HA ALA 6 HA ALA 6 9.210 0.087 -0.864 38 HB1 ALA 6 HB1 ALA 6 9.178 1.326 1.096 39 HB2 ALA 6 HB2 ALA 6 10.273 0.209 1.947 40 HB3 ALA 6 HB3 ALA 6 10.921 1.340 0.734 41 H GLU 7 H GLU 7 11.340 -2.340 0.613 42 HA GLU 7 HA GLU 7 13.629 -1.538 -0.818 43 HB2 GLU 7 HB2 GLU 7 12.940 -3.478 1.189 44 HB3 GLU 7 HB3 GLU 7 13.741 -4.334 -0.113 45 HG2 GLU 7 HG2 GLU 7 15.360 -3.475 1.591 46 HG3 GLU 7 HG3 GLU 7 15.672 -2.825 -0.006 47 HE2 GLU 7 HE2 GLU 7 13.744 -0.441 2.582 48 H PHE 8 H PHE 8 11.461 -4.450 -1.142 49 HA PHE 8 HA PHE 8 12.456 -5.543 -3.373 50 HB2 PHE 8 HB2 PHE 8 10.496 -6.378 -2.086 51 HB3 PHE 8 HB3 PHE 8 9.557 -4.967 -2.530 52 HD1 PHE 8 HD1 PHE 8 11.330 -7.846 -4.106 53 HD2 PHE 8 HD2 PHE 8 8.088 -5.116 -4.312 54 HE1 PHE 8 HE1 PHE 8 10.419 -9.077 -6.095 55 HE2 PHE 8 HE2 PHE 8 7.177 -6.346 -6.301 56 HZ PHE 8 HZ PHE 8 8.354 -8.312 -7.169 57 H HIS 9 H HIS 9 10.362 -2.620 -3.190 58 HA HIS 9 HA HIS 9 10.077 -2.446 -6.006 59 HB2 HIS 9 HB2 HIS 9 9.417 -0.695 -3.657 60 HB3 HIS 9 HB3 HIS 9 9.364 -0.020 -5.273 61 HD1 HIS 9 HD1 HIS 9 7.672 -2.593 -3.076 62 HD2 HIS 9 HD2 HIS 9 7.205 -0.854 -6.865 63 HE1 HIS 9 HE1 HIS 9 5.365 -3.298 -3.908 64 H VAL 10 H VAL 10 12.280 -1.063 -3.531 65 HA VAL 10 HA VAL 10 13.495 0.856 -5.109 66 HB VAL 10 HB VAL 10 14.268 -0.770 -2.721 67 HG11 VAL 10 HG11 VAL 10 16.405 -0.680 -3.655 68 HG12 VAL 10 HG12 VAL 10 16.124 0.913 -4.398 69 HG13 VAL 10 HG13 VAL 10 16.354 0.780 -2.638 70 HG21 VAL 10 HG21 VAL 10 13.493 1.004 -1.612 71 HG22 VAL 10 HG22 VAL 10 14.563 2.102 -2.516 72 HG23 VAL 10 HG23 VAL 10 12.961 1.684 -3.168 73 H GLU 11 H GLU 11 14.536 -2.575 -4.495 74 HA GLU 11 HA GLU 11 16.677 -2.549 -6.173 75 HB2 GLU 11 HB2 GLU 11 16.033 -4.375 -4.562 76 HB3 GLU 11 HB3 GLU 11 14.786 -4.891 -5.679 77 HG2 GLU 11 HG2 GLU 11 16.656 -5.113 -7.453 78 HG3 GLU 11 HG3 GLU 11 17.799 -4.903 -6.141 79 HE2 GLU 11 HE2 GLU 11 18.243 -6.761 -5.005 80 H MET 12 H MET 12 13.298 -2.336 -6.954 81 HA MET 12 HA MET 12 13.837 -3.178 -9.683 82 HB2 MET 12 HB2 MET 12 11.519 -3.213 -7.850 83 HB3 MET 12 HB3 MET 12 11.091 -2.499 -9.392 84 HG2 MET 12 HG2 MET 12 12.153 -4.533 -10.532 85 HG3 MET 12 HG3 MET 12 12.333 -5.254 -8.945 86 HE1 MET 12 HE1 MET 12 8.661 -5.235 -7.646 87 HE2 MET 12 HE2 MET 12 10.311 -4.690 -7.257 88 HE3 MET 12 HE3 MET 12 9.154 -3.563 -8.006 89 H GLY 13 H GLY 13 14.591 -0.527 -8.236 90 HA2 GLY 13 HA2 GLY 13 14.332 1.194 -10.395 91 HA3 GLY 13 HA3 GLY 13 12.972 1.524 -9.340 92 H GLY 14 H GLY 14 13.463 1.939 -6.965 93 HA2 GLY 14 HA2 GLY 14 15.830 2.335 -5.763 94 HA3 GLY 14 HA3 GLY 14 15.722 3.748 -6.794 95 H CYS 15 H CYS 15 15.735 4.812 -4.547 96 HA CYS 15 HA CYS 15 13.420 4.528 -2.950 97 HB2 CYS 15 HB2 CYS 15 15.580 6.643 -3.003 98 HB3 CYS 15 HB3 CYS 15 14.294 6.583 -1.814 99 H GLU 16 H GLU 16 14.198 6.140 -5.924 100 HA GLU 16 HA GLU 16 12.290 8.235 -5.556 101 HB2 GLU 16 HB2 GLU 16 13.930 7.347 -7.967 102 HB3 GLU 16 HB3 GLU 16 12.857 8.732 -7.985 103 HG2 GLU 16 HG2 GLU 16 14.897 9.746 -7.435 104 HG3 GLU 16 HG3 GLU 16 14.202 9.500 -5.846 105 HE2 GLU 16 HE2 GLU 16 16.881 6.711 -6.930 106 H ASN 17 H ASN 17 11.727 5.111 -5.658 107 HA ASN 17 HA ASN 17 10.138 4.785 -7.945 108 HB2 ASN 17 HB2 ASN 17 11.199 3.007 -6.291 109 HB3 ASN 17 HB3 ASN 17 9.742 3.245 -5.347 110 HD21 ASN 17 HD21 ASN 17 7.681 3.307 -6.782 111 HD22 ASN 17 HD22 ASN 17 7.504 2.000 -7.905 112 H CYS 18 H CYS 18 9.710 6.154 -4.708 113 HA CYS 18 HA CYS 18 6.998 6.879 -5.416 114 HB2 CYS 18 HB2 CYS 18 7.405 5.777 -2.649 115 HB3 CYS 18 HB3 CYS 18 5.922 5.979 -3.561 116 H HIS 19 H HIS 19 9.721 8.144 -5.205 117 HA HIS 19 HA HIS 19 8.929 10.259 -3.398 118 HB2 HIS 19 HB2 HIS 19 11.575 8.801 -3.159 119 HB3 HIS 19 HB3 HIS 19 11.225 10.343 -2.403 120 HD1 HIS 19 HD1 HIS 19 8.363 9.784 -1.319 121 HD2 HIS 19 HD2 HIS 19 11.585 7.118 -0.991 122 HE1 HIS 19 HE1 HIS 19 7.830 8.258 0.655 123 H ALA 20 H ALA 20 9.253 12.215 -4.360 124 HA ALA 20 HA ALA 20 10.701 12.191 -6.881 125 HB1 ALA 20 HB1 ALA 20 9.297 13.882 -7.488 126 HB2 ALA 20 HB2 ALA 20 8.307 13.265 -6.144 127 HB3 ALA 20 HB3 ALA 20 9.378 14.664 -5.891 128 H ASP 21 H ASP 21 12.765 12.908 -7.057 129 HA ASP 21 HA ASP 21 14.717 13.649 -6.434 130 HB2 ASP 21 HB2 ASP 21 12.933 15.967 -5.579 131 HB3 ASP 21 HB3 ASP 21 14.681 16.080 -5.518 132 HD2 ASP 21 HD2 ASP 21 14.800 17.364 -8.462 133 H GLY 22 H GLY 22 13.482 11.922 -4.462 134 HA2 GLY 22 HA2 GLY 22 13.621 11.286 -2.310 135 HA3 GLY 22 HA3 GLY 22 15.106 12.215 -2.258 136 H GLU 23 H GLU 23 11.562 13.027 -2.505 137 HA GLU 23 HA GLU 23 11.813 14.456 -0.017 138 HB2 GLU 23 HB2 GLU 23 12.307 15.993 -2.100 139 HB3 GLU 23 HB3 GLU 23 10.576 15.918 -2.364 140 HG2 GLU 23 HG2 GLU 23 10.539 17.719 -0.939 141 HG3 GLU 23 HG3 GLU 23 10.585 16.487 0.306 142 HE2 GLU 23 HE2 GLU 23 12.529 19.325 -0.264 143 HA PRO 24 HA PRO 24 8.175 11.645 -0.182 144 HB2 PRO 24 HB2 PRO 24 8.271 12.671 2.669 145 HB3 PRO 24 HB3 PRO 24 8.032 11.011 2.031 146 HG2 PRO 24 HG2 PRO 24 10.261 11.860 3.002 147 HG3 PRO 24 HG3 PRO 24 10.351 10.553 1.776 148 HD2 PRO 24 HD2 PRO 24 11.201 13.385 1.597 149 HD3 PRO 24 HD3 PRO 24 11.491 12.056 0.434 150 H SER 25 H SER 25 6.048 12.296 -0.616 151 HA SER 25 HA SER 25 5.495 14.953 -0.917 152 HB2 SER 25 HB2 SER 25 3.127 13.282 -0.311 153 HB3 SER 25 HB3 SER 25 3.504 14.203 -1.753 154 HG SER 25 HG SER 25 3.885 12.283 -2.627 155 H LYS 26 H LYS 26 4.030 16.411 0.281 156 HA LYS 26 HA LYS 26 4.166 15.871 3.154 157 HB2 LYS 26 HB2 LYS 26 4.033 18.258 3.458 158 HB3 LYS 26 HB3 LYS 26 5.311 17.893 2.316 159 HG2 LYS 26 HG2 LYS 26 4.223 18.910 0.562 160 HG3 LYS 26 HG3 LYS 26 2.651 18.311 1.052 161 HD2 LYS 26 HD2 LYS 26 2.606 20.021 2.905 162 HD3 LYS 26 HD3 LYS 26 4.146 20.643 2.344 163 HE2 LYS 26 HE2 LYS 26 2.246 20.447 0.121 164 HE3 LYS 26 HE3 LYS 26 1.564 21.392 1.429 165 HZ1 LYS 26 HZ1 LYS 26 3.005 23.055 1.000 166 HZ2 LYS 26 HZ2 LYS 26 4.304 22.076 0.936 167 H ASP 27 H ASP 27 2.205 14.605 1.310 168 HA ASP 27 HA ASP 27 -0.129 15.553 2.726 169 HB2 ASP 27 HB2 ASP 27 -1.393 15.100 0.446 170 HB3 ASP 27 HB3 ASP 27 -0.632 16.654 0.729 171 HD2 ASP 27 HD2 ASP 27 1.717 16.251 -1.754 172 H GLY 28 H GLY 28 0.858 13.275 0.043 173 HA2 GLY 28 HA2 GLY 28 1.180 10.918 0.867 174 HA3 GLY 28 HA3 GLY 28 -0.429 11.077 1.542 175 H ALA 29 H ALA 29 -1.724 12.585 -0.518 176 HA ALA 29 HA ALA 29 -2.566 10.590 -2.207 177 HB1 ALA 29 HB1 ALA 29 -2.561 13.581 -2.771 178 HB2 ALA 29 HB2 ALA 29 -3.694 12.367 -3.410 179 HB3 ALA 29 HB3 ALA 29 -3.707 12.770 -1.677 180 H TYR 30 H TYR 30 -0.317 13.294 -2.905 181 HA TYR 30 HA TYR 30 0.383 12.797 -5.499 182 HB2 TYR 30 HB2 TYR 30 1.281 14.620 -4.118 183 HB3 TYR 30 HB3 TYR 30 2.254 13.458 -3.200 184 HD1 TYR 30 HD1 TYR 30 1.643 13.800 -6.889 185 HD2 TYR 30 HD2 TYR 30 4.489 13.889 -3.673 186 HE1 TYR 30 HE1 TYR 30 3.488 14.047 -8.528 187 HE2 TYR 30 HE2 TYR 30 6.334 14.137 -5.312 188 HH TYR 30 HH TYR 30 5.733 14.388 -8.823 189 H GLU 31 H GLU 31 1.668 11.030 -2.583 190 HA GLU 31 HA GLU 31 3.381 9.459 -4.151 191 HB2 GLU 31 HB2 GLU 31 3.033 9.939 -1.442 192 HB3 GLU 31 HB3 GLU 31 2.454 8.291 -1.587 193 HG2 GLU 31 HG2 GLU 31 4.556 7.478 -1.900 194 HG3 GLU 31 HG3 GLU 31 4.908 8.660 -3.145 195 HE2 GLU 31 HE2 GLU 31 5.668 9.546 0.699 196 H PHE 32 H PHE 32 0.158 8.828 -2.597 197 HA PHE 32 HA PHE 32 -0.226 6.251 -3.272 198 HB2 PHE 32 HB2 PHE 32 -1.879 7.542 -2.024 199 HB3 PHE 32 HB3 PHE 32 -2.008 8.741 -3.296 200 HD1 PHE 32 HD1 PHE 32 -2.287 5.013 -3.322 201 HD2 PHE 32 HD2 PHE 32 -4.156 8.737 -4.126 202 HE1 PHE 32 HE1 PHE 32 -4.283 3.810 -4.254 203 HE2 PHE 32 HE2 PHE 32 -6.152 7.535 -5.057 204 HZ PHE 32 HZ PHE 32 -6.192 5.085 -5.110 205 H GLU 33 H GLU 33 -0.033 9.012 -5.464 206 HA GLU 33 HA GLU 33 -1.434 7.847 -7.581 207 HB2 GLU 33 HB2 GLU 33 0.102 10.263 -7.066 208 HB3 GLU 33 HB3 GLU 33 0.537 9.616 -8.635 209 HG2 GLU 33 HG2 GLU 33 -1.473 10.187 -9.542 210 HG3 GLU 33 HG3 GLU 33 -2.366 9.483 -8.209 211 HE2 GLU 33 HE2 GLU 33 -3.260 11.254 -6.711 212 H GLN 34 H GLN 34 2.030 7.855 -6.588 213 HA GLN 34 HA GLN 34 3.135 6.788 -8.818 214 HB2 GLN 34 HB2 GLN 34 3.811 6.294 -5.888 215 HB3 GLN 34 HB3 GLN 34 4.845 5.785 -7.208 216 HG2 GLN 34 HG2 GLN 34 4.099 8.616 -6.395 217 HG3 GLN 34 HG3 GLN 34 5.700 7.916 -6.531 218 HE21 GLN 34 HE21 GLN 34 4.311 10.271 -7.778 219 HE22 GLN 34 HE22 GLN 34 4.576 10.128 -9.483 220 H CYS 35 H CYS 35 1.149 5.209 -6.318 221 HA CYS 35 HA CYS 35 1.751 2.592 -7.367 222 HB2 CYS 35 HB2 CYS 35 -0.447 3.017 -5.407 223 HB3 CYS 35 HB3 CYS 35 0.733 1.725 -5.518 224 H GLN 36 H GLN 36 0.802 4.159 -9.429 225 HA GLN 36 HA GLN 36 -1.699 2.864 -9.954 226 HB2 GLN 36 HB2 GLN 36 -1.671 5.579 -9.072 227 HB3 GLN 36 HB3 GLN 36 -2.003 5.628 -10.792 228 HG2 GLN 36 HG2 GLN 36 -4.057 4.614 -10.566 229 HG3 GLN 36 HG3 GLN 36 -3.493 3.506 -9.331 230 HE21 GLN 36 HE21 GLN 36 -3.676 7.051 -9.682 231 HE22 GLN 36 HE22 GLN 36 -4.495 7.376 -8.190 232 H SER 37 H SER 37 0.104 1.826 -11.306 233 HA SER 37 HA SER 37 -0.128 2.800 -13.914 234 HB2 SER 37 HB2 SER 37 1.582 4.419 -13.202 235 HB3 SER 37 HB3 SER 37 2.598 3.131 -12.585 236 HG SER 37 HG SER 37 2.213 2.373 -15.054 237 H CYS 38 H CYS 38 2.576 1.156 -12.108 238 HA CYS 38 HA CYS 38 2.620 -0.983 -13.943 239 HB2 CYS 38 HB2 CYS 38 3.832 -1.097 -11.182 240 HB3 CYS 38 HB3 CYS 38 4.389 -1.858 -12.659 241 H HIS 39 H HIS 39 0.478 -0.097 -11.448 242 HA HIS 39 HA HIS 39 -0.305 -2.897 -11.075 243 HB2 HIS 39 HB2 HIS 39 -0.505 -0.553 -9.169 244 HB3 HIS 39 HB3 HIS 39 -1.347 -2.070 -8.922 245 HD1 HIS 39 HD1 HIS 39 0.527 -4.261 -9.167 246 HD2 HIS 39 HD2 HIS 39 1.842 -0.520 -7.799 247 HE1 HIS 39 HE1 HIS 39 2.701 -4.687 -7.901 248 H GLY 40 H GLY 40 -2.106 0.060 -10.151 249 HA2 GLY 40 HA2 GLY 40 -3.640 0.663 -12.252 250 HA3 GLY 40 HA3 GLY 40 -4.359 -0.852 -11.744 251 H SER 41 H SER 41 -6.343 0.214 -11.132 252 HA SER 41 HA SER 41 -6.034 1.923 -8.791 253 HB2 SER 41 HB2 SER 41 -7.236 3.228 -10.303 254 HB3 SER 41 HB3 SER 41 -8.012 1.847 -11.053 255 HG SER 41 HG SER 41 -8.602 2.648 -8.340 256 H LEU 42 H LEU 42 -7.397 1.511 -6.924 257 HA LEU 42 HA LEU 42 -7.746 -1.161 -6.312 258 HB2 LEU 42 HB2 LEU 42 -9.135 1.220 -5.077 259 HB3 LEU 42 HB3 LEU 42 -8.932 -0.361 -4.350 260 HG LEU 42 HG LEU 42 -6.430 1.000 -5.186 261 HD11 LEU 42 HD11 LEU 42 -6.807 2.103 -2.687 262 HD12 LEU 42 HD12 LEU 42 -6.925 2.961 -4.242 263 HD13 LEU 42 HD13 LEU 42 -8.393 2.321 -3.465 264 HD21 LEU 42 HD21 LEU 42 -6.516 0.099 -2.458 265 HD22 LEU 42 HD22 LEU 42 -7.197 -1.152 -3.526 266 HD23 LEU 42 HD23 LEU 42 -5.560 -0.520 -3.826 267 H ALA 43 H ALA 43 -9.916 1.195 -7.878 268 HA ALA 43 HA ALA 43 -12.244 -0.404 -7.614 269 HB1 ALA 43 HB1 ALA 43 -12.081 2.115 -8.003 270 HB2 ALA 43 HB2 ALA 43 -11.673 1.735 -9.694 271 HB3 ALA 43 HB3 ALA 43 -13.249 1.245 -9.026 272 H GLU 44 H GLU 44 -9.363 -0.891 -9.298 273 HA GLU 44 HA GLU 44 -10.793 -2.476 -11.287 274 HB2 GLU 44 HB2 GLU 44 -9.166 -0.383 -11.897 275 HB3 GLU 44 HB3 GLU 44 -7.964 -1.655 -11.828 276 HG2 GLU 44 HG2 GLU 44 -8.974 -2.893 -13.585 277 HG3 GLU 44 HG3 GLU 44 -10.530 -2.114 -13.375 278 HE2 GLU 44 HE2 GLU 44 -7.508 -1.861 -14.837 279 H MET 45 H MET 45 -9.932 -3.139 -8.480 280 HA MET 45 HA MET 45 -8.009 -5.224 -9.172 281 HB2 MET 45 HB2 MET 45 -8.536 -3.758 -6.529 282 HB3 MET 45 HB3 MET 45 -7.482 -5.153 -6.651 283 HG2 MET 45 HG2 MET 45 -6.342 -3.705 -8.608 284 HG3 MET 45 HG3 MET 45 -7.077 -2.367 -7.748 285 HE1 MET 45 HE1 MET 45 -3.613 -2.376 -7.556 286 HE2 MET 45 HE2 MET 45 -5.075 -1.362 -7.517 287 HE3 MET 45 HE3 MET 45 -4.063 -1.521 -6.062 288 H ASP 46 H ASP 46 -8.248 -6.895 -6.962 289 HA ASP 46 HA ASP 46 -10.341 -8.460 -7.604 290 HB2 ASP 46 HB2 ASP 46 -9.551 -8.343 -4.701 291 HB3 ASP 46 HB3 ASP 46 -9.761 -9.745 -5.732 292 HD2 ASP 46 HD2 ASP 46 -7.180 -8.554 -4.136 293 H ASP 47 H ASP 47 -12.067 -9.111 -5.628 294 HA ASP 47 HA ASP 47 -13.700 -6.787 -5.439 295 HB2 ASP 47 HB2 ASP 47 -15.386 -8.326 -4.536 296 HB3 ASP 47 HB3 ASP 47 -14.639 -9.038 -5.952 297 HD2 ASP 47 HD2 ASP 47 -13.563 -10.995 -5.614 298 H ASN 48 H ASN 48 -11.036 -7.571 -3.780 299 HA ASN 48 HA ASN 48 -12.189 -7.233 -1.140 300 HB2 ASN 48 HB2 ASN 48 -9.274 -7.809 -1.875 301 HB3 ASN 48 HB3 ASN 48 -10.000 -7.963 -0.287 302 HD21 ASN 48 HD21 ASN 48 -8.713 -10.077 -1.129 303 HD22 ASN 48 HD22 ASN 48 -9.756 -11.362 -1.640 304 H HIS 49 H HIS 49 -10.152 -5.774 -3.671 305 HA HIS 49 HA HIS 49 -9.275 -3.655 -1.913 306 HB2 HIS 49 HB2 HIS 49 -8.688 -4.435 -4.764 307 HB3 HIS 49 HB3 HIS 49 -8.231 -2.857 -4.154 308 HD1 HIS 49 HD1 HIS 49 -7.582 -6.556 -3.499 309 HD2 HIS 49 HD2 HIS 49 -5.918 -2.804 -2.633 310 HE1 HIS 49 HE1 HIS 49 -5.315 -7.012 -2.420 311 H LYS 50 H LYS 50 -11.611 -4.298 -4.540 312 HA LYS 50 HA LYS 50 -12.269 -1.715 -5.215 313 HB2 LYS 50 HB2 LYS 50 -13.720 -4.340 -5.233 314 HB3 LYS 50 HB3 LYS 50 -14.617 -2.876 -5.582 315 HG2 LYS 50 HG2 LYS 50 -12.749 -2.302 -7.281 316 HG3 LYS 50 HG3 LYS 50 -12.173 -3.941 -7.059 317 HD2 LYS 50 HD2 LYS 50 -15.105 -3.580 -7.644 318 HD3 LYS 50 HD3 LYS 50 -13.984 -3.292 -8.960 319 HE2 LYS 50 HE2 LYS 50 -13.060 -5.536 -8.782 320 HE3 LYS 50 HE3 LYS 50 -13.890 -5.828 -7.267 321 HZ1 LYS 50 HZ1 LYS 50 -15.946 -5.226 -8.894 322 HZ2 LYS 50 HZ2 LYS 50 -14.950 -5.949 -9.959 323 HA PRO 51 HA PRO 51 -15.847 -2.411 -1.657 324 HB2 PRO 51 HB2 PRO 51 -13.597 -3.458 0.113 325 HB3 PRO 51 HB3 PRO 51 -15.366 -3.750 0.185 326 HG2 PRO 51 HG2 PRO 51 -13.542 -5.427 -1.116 327 HG3 PRO 51 HG3 PRO 51 -15.278 -5.487 -1.562 328 HD2 PRO 51 HD2 PRO 51 -13.031 -4.597 -3.174 329 HD3 PRO 51 HD3 PRO 51 -14.769 -4.513 -3.595 330 H HIS 52 H HIS 52 -12.302 -1.684 -1.138 331 HA HIS 52 HA HIS 52 -13.007 0.555 0.505 332 HB2 HIS 52 HB2 HIS 52 -10.357 -0.451 -0.565 333 HB3 HIS 52 HB3 HIS 52 -10.523 0.931 0.500 334 HD1 HIS 52 HD1 HIS 52 -9.827 -2.573 0.626 335 HD2 HIS 52 HD2 HIS 52 -12.030 0.065 3.030 336 HE1 HIS 52 HE1 HIS 52 -10.072 -3.710 2.897 337 H ASP 53 H ASP 53 -11.232 0.146 -2.648 338 HA ASP 53 HA ASP 53 -10.633 1.882 -3.985 339 HB2 ASP 53 HB2 ASP 53 -12.234 0.652 -5.254 340 HB3 ASP 53 HB3 ASP 53 -13.578 1.220 -4.283 341 HD2 ASP 53 HD2 ASP 53 -14.485 1.692 -6.293 342 H GLY 54 H GLY 54 -10.088 3.778 -2.724 343 HA2 GLY 54 HA2 GLY 54 -10.355 6.022 -2.380 344 HA3 GLY 54 HA3 GLY 54 -12.042 5.911 -2.842 345 H LEU 55 H LEU 55 -9.836 4.655 -0.230 346 HA LEU 55 HA LEU 55 -11.606 5.768 1.752 347 HB2 LEU 55 HB2 LEU 55 -11.611 2.912 1.060 348 HB3 LEU 55 HB3 LEU 55 -11.369 3.238 2.765 349 HG LEU 55 HG LEU 55 -13.693 4.234 1.092 350 HD11 LEU 55 HD11 LEU 55 -14.943 2.670 2.750 351 HD12 LEU 55 HD12 LEU 55 -14.115 1.971 1.337 352 HD13 LEU 55 HD13 LEU 55 -13.354 1.891 2.944 353 HD21 LEU 55 HD21 LEU 55 -12.653 5.306 3.465 354 HD22 LEU 55 HD22 LEU 55 -14.237 5.636 2.724 355 HD23 LEU 55 HD23 LEU 55 -14.080 4.360 3.954 356 H LEU 56 H LEU 56 -8.761 3.693 0.952 357 HA LEU 56 HA LEU 56 -7.189 5.304 2.764 358 HB2 LEU 56 HB2 LEU 56 -6.285 2.901 3.569 359 HB3 LEU 56 HB3 LEU 56 -7.441 3.880 4.451 360 HG LEU 56 HG LEU 56 -9.288 2.577 3.670 361 HD11 LEU 56 HD11 LEU 56 -7.399 1.744 1.574 362 HD12 LEU 56 HD12 LEU 56 -8.421 0.435 2.215 363 HD13 LEU 56 HD13 LEU 56 -9.172 1.900 1.537 364 HD21 LEU 56 HD21 LEU 56 -8.632 0.273 4.449 365 HD22 LEU 56 HD22 LEU 56 -6.958 0.868 4.563 366 HD23 LEU 56 HD23 LEU 56 -8.234 1.602 5.563 367 H MET 57 H MET 57 -4.946 5.268 2.244 368 HA MET 57 HA MET 57 -4.480 4.685 -0.461 369 HB2 MET 57 HB2 MET 57 -2.618 5.420 1.865 370 HB3 MET 57 HB3 MET 57 -2.089 5.365 0.195 371 HG2 MET 57 HG2 MET 57 -3.169 7.329 -0.359 372 HG3 MET 57 HG3 MET 57 -4.556 6.979 0.653 373 HE1 MET 57 HE1 MET 57 -0.600 8.917 1.961 374 HE2 MET 57 HE2 MET 57 -0.642 7.263 1.306 375 HE3 MET 57 HE3 MET 57 -1.152 8.635 0.293 376 H CYS 58 H CYS 58 -2.452 3.387 -1.182 377 HA CYS 58 HA CYS 58 -2.838 0.735 -0.500 378 HB2 CYS 58 HB2 CYS 58 -0.289 1.842 -1.672 379 HB3 CYS 58 HB3 CYS 58 -0.969 0.240 -1.879 380 H ALA 59 H ALA 59 0.211 2.651 0.054 381 HA ALA 59 HA ALA 59 1.472 1.063 1.785 382 HB1 ALA 59 HB1 ALA 59 1.534 3.807 1.030 383 HB2 ALA 59 HB2 ALA 59 1.631 3.758 2.807 384 HB3 ALA 59 HB3 ALA 59 2.815 2.862 1.826 385 H ASP 60 H ASP 60 -1.028 3.524 2.742 386 HA ASP 60 HA ASP 60 -1.094 3.324 5.335 387 HB2 ASP 60 HB2 ASP 60 -3.175 3.562 3.247 388 HB3 ASP 60 HB3 ASP 60 -3.814 2.940 4.755 389 HD2 ASP 60 HD2 ASP 60 -1.530 5.521 3.970 390 H CYS 61 H CYS 61 -2.040 0.760 3.022 391 HA CYS 61 HA CYS 61 -2.770 -0.967 5.263 392 HB2 CYS 61 HB2 CYS 61 -3.875 -0.600 2.630 393 HB3 CYS 61 HB3 CYS 61 -3.300 -2.249 2.778 394 H HIS 62 H HIS 62 -0.769 -0.667 2.263 395 HA HIS 62 HA HIS 62 0.700 -3.047 3.056 396 HB2 HIS 62 HB2 HIS 62 0.707 -1.394 0.518 397 HB3 HIS 62 HB3 HIS 62 1.782 -2.748 0.802 398 HD1 HIS 62 HD1 HIS 62 0.186 -5.022 1.696 399 HD2 HIS 62 HD2 HIS 62 -1.425 -2.202 -0.959 400 HE1 HIS 62 HE1 HIS 62 -1.755 -6.181 0.513 401 H ALA 63 H ALA 63 1.118 -1.200 4.958 402 HA ALA 63 HA ALA 63 2.820 0.840 4.716 403 HB1 ALA 63 HB1 ALA 63 1.836 -0.650 6.773 404 HB2 ALA 63 HB2 ALA 63 3.556 -1.102 6.846 405 HB3 ALA 63 HB3 ALA 63 3.079 0.609 6.971 406 HA PRO 64 HA PRO 64 6.060 -1.223 2.336 407 HB2 PRO 64 HB2 PRO 64 6.881 1.645 2.032 408 HB3 PRO 64 HB3 PRO 64 6.527 0.394 0.795 409 HG2 PRO 64 HG2 PRO 64 4.601 2.375 1.142 410 HG3 PRO 64 HG3 PRO 64 4.301 0.639 0.801 411 HD2 PRO 64 HD2 PRO 64 4.402 2.109 3.499 412 HD3 PRO 64 HD3 PRO 64 3.100 1.062 2.856 413 H HIS 65 H HIS 65 6.695 1.770 4.363 414 HA HIS 65 HA HIS 65 9.250 0.695 5.074 415 HB2 HIS 65 HB2 HIS 65 7.743 3.197 5.860 416 HB3 HIS 65 HB3 HIS 65 9.309 2.784 6.529 417 HD1 HIS 65 HD1 HIS 65 11.052 2.039 4.270 418 HD2 HIS 65 HD2 HIS 65 8.099 4.988 3.848 419 HE1 HIS 65 HE1 HIS 65 11.752 3.471 2.278 420 H GLU 66 H GLU 66 7.859 -1.339 5.839 421 HA GLU 66 HA GLU 66 8.259 -1.611 8.493 422 HB2 GLU 66 HB2 GLU 66 5.983 0.018 8.136 423 HB3 GLU 66 HB3 GLU 66 5.328 -1.562 8.514 424 HG2 GLU 66 HG2 GLU 66 6.723 -1.697 10.554 425 HG3 GLU 66 HG3 GLU 66 7.501 -0.178 10.155 426 HE2 GLU 66 HE2 GLU 66 3.951 -0.980 11.321 427 H ALA 67 H ALA 67 5.552 -2.341 6.168 428 HA ALA 67 HA ALA 67 5.453 -5.069 6.930 429 HB1 ALA 67 HB1 ALA 67 4.435 -4.088 4.281 430 HB2 ALA 67 HB2 ALA 67 3.667 -5.172 5.466 431 HB3 ALA 67 HB3 ALA 67 3.713 -3.418 5.765 432 H LYS 68 H LYS 68 6.178 -6.928 5.763 433 HA LYS 68 HA LYS 68 8.339 -6.302 3.872 434 HB2 LYS 68 HB2 LYS 68 8.229 -8.775 5.600 435 HB3 LYS 68 HB3 LYS 68 9.595 -8.109 4.727 436 HG2 LYS 68 HG2 LYS 68 10.175 -6.887 6.543 437 HG3 LYS 68 HG3 LYS 68 8.642 -6.039 6.473 438 HD2 LYS 68 HD2 LYS 68 7.864 -8.454 7.579 439 HD3 LYS 68 HD3 LYS 68 9.481 -8.291 8.233 440 HE2 LYS 68 HE2 LYS 68 8.645 -5.769 8.708 441 HE3 LYS 68 HE3 LYS 68 7.069 -6.535 8.670 442 HZ1 LYS 68 HZ1 LYS 68 9.326 -7.338 10.428 443 HZ2 LYS 68 HZ2 LYS 68 7.957 -6.599 10.909 444 H VAL 69 H VAL 69 8.296 -7.267 1.873 445 HA VAL 69 HA VAL 69 6.060 -8.045 0.680 446 HB VAL 69 HB VAL 69 8.926 -8.783 0.314 447 HG11 VAL 69 HG11 VAL 69 6.606 -10.192 -0.963 448 HG12 VAL 69 HG12 VAL 69 8.054 -9.851 -1.941 449 HG13 VAL 69 HG13 VAL 69 8.191 -10.826 -0.458 450 HG21 VAL 69 HG21 VAL 69 7.712 -6.591 -0.394 451 HG22 VAL 69 HG22 VAL 69 8.826 -7.375 -1.539 452 HG23 VAL 69 HG23 VAL 69 7.068 -7.577 -1.729 453 H GLY 70 H GLY 70 4.625 -9.727 0.664 454 HA2 GLY 70 HA2 GLY 70 3.883 -11.872 0.949 455 HA3 GLY 70 HA3 GLY 70 5.420 -12.332 1.654 456 H GLU 71 H GLU 71 3.366 -9.538 2.645 457 HA GLU 71 HA GLU 71 2.773 -11.000 5.090 458 HB2 GLU 71 HB2 GLU 71 4.081 -8.294 4.794 459 HB3 GLU 71 HB3 GLU 71 3.045 -8.585 6.178 460 HG2 GLU 71 HG2 GLU 71 4.731 -10.892 5.915 461 HG3 GLU 71 HG3 GLU 71 5.766 -9.490 5.728 462 HE2 GLU 71 HE2 GLU 71 3.919 -10.209 9.202 463 H LYS 72 H LYS 72 0.587 -11.344 4.701 464 HA LYS 72 HA LYS 72 -1.024 -9.354 3.469 465 HB2 LYS 72 HB2 LYS 72 -2.793 -10.914 3.687 466 HB3 LYS 72 HB3 LYS 72 -1.355 -11.847 3.324 467 HG2 LYS 72 HG2 LYS 72 -1.117 -12.023 5.958 468 HG3 LYS 72 HG3 LYS 72 -2.813 -11.580 5.969 469 HD2 LYS 72 HD2 LYS 72 -3.369 -13.504 4.519 470 HD3 LYS 72 HD3 LYS 72 -1.673 -13.914 4.361 471 HE2 LYS 72 HE2 LYS 72 -1.580 -14.216 6.891 472 HE3 LYS 72 HE3 LYS 72 -3.315 -13.971 6.937 473 HZ1 LYS 72 HZ1 LYS 72 -3.372 -15.871 5.218 474 HZ2 LYS 72 HZ2 LYS 72 -1.848 -16.206 5.683 475 HA PRO 73 HA PRO 73 -1.343 -6.656 6.959 476 HB2 PRO 73 HB2 PRO 73 -3.748 -5.890 5.252 477 HB3 PRO 73 HB3 PRO 73 -2.548 -4.861 6.100 478 HG2 PRO 73 HG2 PRO 73 -2.327 -5.349 3.391 479 HG3 PRO 73 HG3 PRO 73 -0.903 -5.309 4.481 480 HD2 PRO 73 HD2 PRO 73 -2.459 -7.681 3.354 481 HD3 PRO 73 HD3 PRO 73 -0.692 -7.488 3.563 482 H THR 74 H THR 74 -2.914 -6.339 8.750 483 HA THR 74 HA THR 74 -4.852 -8.550 8.826 484 HB THR 74 HB THR 74 -4.570 -8.247 11.333 485 HG1 THR 74 HG1 THR 74 -2.818 -6.745 11.885 486 HG21 THR 74 HG21 THR 74 -3.049 -9.919 10.688 487 HG22 THR 74 HG22 THR 74 -2.238 -8.862 9.508 488 HG23 THR 74 HG23 THR 74 -1.913 -8.669 11.247 489 H CYS 75 H CYS 75 -6.987 -8.172 8.930 490 HA CYS 75 HA CYS 75 -7.913 -5.571 8.494 491 HB2 CYS 75 HB2 CYS 75 -9.597 -7.865 9.490 492 HB3 CYS 75 HB3 CYS 75 -10.095 -6.494 8.519 493 H ASP 76 H ASP 76 -7.757 -7.748 11.377 494 HA ASP 76 HA ASP 76 -9.227 -6.512 13.170 495 HB2 ASP 76 HB2 ASP 76 -6.523 -7.809 13.295 496 HB3 ASP 76 HB3 ASP 76 -7.016 -6.918 14.721 497 HD2 ASP 76 HD2 ASP 76 -7.483 -9.913 13.117 498 H THR 77 H THR 77 -6.234 -5.307 11.668 499 HA THR 77 HA THR 77 -5.464 -3.364 13.481 500 HB THR 77 HB THR 77 -5.359 -3.080 10.445 501 HG1 THR 77 HG1 THR 77 -4.337 -5.038 10.546 502 HG21 THR 77 HG21 THR 77 -2.920 -2.849 12.121 503 HG22 THR 77 HG22 THR 77 -3.515 -1.763 10.842 504 HG23 THR 77 HG23 THR 77 -4.151 -1.620 12.498 505 H CYS 78 H CYS 78 -7.992 -3.240 10.922 506 HA CYS 78 HA CYS 78 -8.773 -0.662 12.078 507 HB2 CYS 78 HB2 CYS 78 -8.855 -1.673 9.241 508 HB3 CYS 78 HB3 CYS 78 -9.986 -0.442 9.768 509 H HIS 79 H HIS 79 -9.918 -3.730 10.503 510 HA HIS 79 HA HIS 79 -12.513 -3.322 11.751 511 HB2 HIS 79 HB2 HIS 79 -11.690 -5.480 9.795 512 HB3 HIS 79 HB3 HIS 79 -13.318 -5.034 10.267 513 HD1 HIS 79 HD1 HIS 79 -13.477 -2.074 9.847 514 HD2 HIS 79 HD2 HIS 79 -11.328 -4.576 7.255 515 HE1 HIS 79 HE1 HIS 79 -13.290 -0.818 7.633 516 H ASP 80 H ASP 80 -12.099 -3.779 13.944 517 HA ASP 80 HA ASP 80 -10.808 -6.285 14.520 518 HB2 ASP 80 HB2 ASP 80 -11.005 -5.534 16.894 519 HB3 ASP 80 HB3 ASP 80 -10.200 -4.347 15.888 520 HD2 ASP 80 HD2 ASP 80 -11.256 -3.405 18.176 521 H ASP 81 H ASP 81 -13.418 -6.323 13.148 522 HA ASP 81 HA ASP 81 -15.193 -7.153 15.290 523 HB2 ASP 81 HB2 ASP 81 -16.997 -6.947 13.666 524 HB3 ASP 81 HB3 ASP 81 -16.029 -5.487 13.606 525 HD2 ASP 81 HD2 ASP 81 -17.135 -7.548 10.759 526 H GLY 82 H GLY 82 -12.765 -8.582 13.889 527 HA2 GLY 82 HA2 GLY 82 -12.446 -10.884 13.795 528 HA3 GLY 82 HA3 GLY 82 -14.151 -11.127 13.474 529 H ARG 83 H ARG 83 -13.681 -8.610 11.500 530 HA ARG 83 HA ARG 83 -13.975 -9.759 9.193 531 HB2 ARG 83 HB2 ARG 83 -13.010 -7.224 10.071 532 HB3 ARG 83 HB3 ARG 83 -11.888 -7.734 8.825 533 HG2 ARG 83 HG2 ARG 83 -13.866 -6.429 7.942 534 HG3 ARG 83 HG3 ARG 83 -13.672 -8.005 7.200 535 HD2 ARG 83 HD2 ARG 83 -15.757 -8.602 7.869 536 HD3 ARG 83 HD3 ARG 83 -15.311 -8.357 9.546 537 HE ARG 83 HE ARG 83 -16.345 -6.243 9.507 538 H THR 84 H THR 84 -12.888 -11.133 7.785 539 HA THR 84 HA THR 84 -10.021 -11.560 8.325 540 HB THR 84 HB THR 84 -10.604 -13.959 7.519 541 HG1 THR 84 HG1 THR 84 -12.742 -13.075 6.700 542 HG21 THR 84 HG21 THR 84 -12.323 -13.471 9.924 543 HG22 THR 84 HG22 THR 84 -11.003 -14.644 9.699 544 HG23 THR 84 HG23 THR 84 -10.630 -12.944 10.074 545 H ALA 85 H ALA 85 -8.718 -12.235 6.474 546 HA ALA 85 HA ALA 85 -9.335 -10.615 4.226 547 HB1 ALA 85 HB1 ALA 85 -7.047 -10.867 4.924 548 HB2 ALA 85 HB2 ALA 85 -7.156 -12.642 4.848 549 HB3 ALA 85 HB3 ALA 85 -7.205 -11.682 3.350 550 H LYS 86 H LYS 86 -9.600 -11.357 1.995 551 HA LYS 86 HA LYS 86 -10.859 -14.011 1.901 552 HB2 LYS 86 HB2 LYS 86 -12.202 -11.720 1.585 553 HB3 LYS 86 HB3 LYS 86 -11.608 -11.882 -0.056 554 HG2 LYS 86 HG2 LYS 86 -12.450 -14.404 0.214 555 HG3 LYS 86 HG3 LYS 86 -13.446 -13.724 1.485 556 HD2 LYS 86 HD2 LYS 86 -13.360 -12.620 -1.361 557 HD3 LYS 86 HD3 LYS 86 -14.545 -13.788 -0.812 558 HE2 LYS 86 HE2 LYS 86 -14.637 -11.781 1.161 559 HE3 LYS 86 HE3 LYS 86 -14.428 -10.883 -0.329 560 HZ1 LYS 86 HZ1 LYS 86 -16.403 -11.780 -1.202 561 HZ2 LYS 86 HZ2 LYS 86 -16.456 -13.027 -0.157 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 14.925 -13.303 8.808 2 HA ALA 1 HA ALA 1 15.210 -11.102 7.987 3 HB1 ALA 1 HB1 ALA 1 17.156 -12.623 7.786 4 HB2 ALA 1 HB2 ALA 1 16.610 -13.096 6.159 5 HB3 ALA 1 HB3 ALA 1 17.123 -11.420 6.473 6 H ASP 2 H ASP 2 12.783 -10.950 7.264 7 HA ASP 2 HA ASP 2 12.432 -11.274 4.451 8 HB2 ASP 2 HB2 ASP 2 10.760 -11.087 6.739 9 HB3 ASP 2 HB3 ASP 2 10.398 -9.651 5.803 10 HD2 ASP 2 HD2 ASP 2 9.201 -10.508 3.366 11 H GLU 3 H GLU 3 12.422 -9.554 2.914 12 HA GLU 3 HA GLU 3 13.551 -7.097 3.877 13 HB2 GLU 3 HB2 GLU 3 13.815 -6.567 1.458 14 HB3 GLU 3 HB3 GLU 3 14.518 -8.118 1.872 15 HG2 GLU 3 HG2 GLU 3 11.698 -8.433 1.148 16 HG3 GLU 3 HG3 GLU 3 12.568 -7.600 -0.125 17 HE2 GLU 3 HE2 GLU 3 12.906 -11.425 0.156 18 H THR 4 H THR 4 12.609 -4.984 3.528 19 HA THR 4 HA THR 4 9.792 -4.952 3.868 20 HB THR 4 HB THR 4 10.263 -2.421 3.753 21 HG1 THR 4 HG1 THR 4 12.148 -2.846 2.278 22 HG21 THR 4 HG21 THR 4 11.587 -4.370 5.611 23 HG22 THR 4 HG22 THR 4 12.268 -2.725 5.599 24 HG23 THR 4 HG23 THR 4 10.550 -2.974 5.990 25 H LEU 5 H LEU 5 8.318 -3.535 2.523 26 HA LEU 5 HA LEU 5 8.388 -4.554 -0.130 27 HB2 LEU 5 HB2 LEU 5 6.412 -3.937 1.512 28 HB3 LEU 5 HB3 LEU 5 6.542 -2.372 0.733 29 HG LEU 5 HG LEU 5 6.519 -4.149 -1.407 30 HD11 LEU 5 HD11 LEU 5 4.994 -5.834 -1.094 31 HD12 LEU 5 HD12 LEU 5 5.802 -5.819 0.492 32 HD13 LEU 5 HD13 LEU 5 4.218 -5.032 0.293 33 HD21 LEU 5 HD21 LEU 5 5.412 -1.951 -1.248 34 HD22 LEU 5 HD22 LEU 5 4.335 -3.216 -1.887 35 HD23 LEU 5 HD23 LEU 5 4.165 -2.670 -0.201 36 H ALA 6 H ALA 6 8.918 -1.332 1.414 37 HA ALA 6 HA ALA 6 9.193 0.146 -0.900 38 HB1 ALA 6 HB1 ALA 6 9.958 0.347 1.955 39 HB2 ALA 6 HB2 ALA 6 10.956 1.320 0.847 40 HB3 ALA 6 HB3 ALA 6 9.191 1.548 0.888 41 H GLU 7 H GLU 7 11.351 -2.216 0.627 42 HA GLU 7 HA GLU 7 13.646 -1.351 -0.767 43 HB2 GLU 7 HB2 GLU 7 13.873 -2.574 1.329 44 HB3 GLU 7 HB3 GLU 7 12.973 -3.938 0.696 45 HG2 GLU 7 HG2 GLU 7 15.207 -4.652 0.451 46 HG3 GLU 7 HG3 GLU 7 14.830 -4.050 -1.151 47 HE2 GLU 7 HE2 GLU 7 17.240 -3.039 -1.496 48 H PHE 8 H PHE 8 11.548 -4.314 -1.081 49 HA PHE 8 HA PHE 8 12.629 -5.418 -3.277 50 HB2 PHE 8 HB2 PHE 8 10.691 -6.320 -2.017 51 HB3 PHE 8 HB3 PHE 8 9.707 -4.938 -2.456 52 HD1 PHE 8 HD1 PHE 8 11.516 -7.816 -3.978 53 HD2 PHE 8 HD2 PHE 8 8.301 -5.065 -4.304 54 HE1 PHE 8 HE1 PHE 8 10.647 -9.068 -5.972 55 HE2 PHE 8 HE2 PHE 8 7.432 -6.318 -6.298 56 HZ PHE 8 HZ PHE 8 8.615 -8.304 -7.108 57 H HIS 9 H HIS 9 10.519 -2.519 -3.146 58 HA HIS 9 HA HIS 9 10.205 -2.412 -5.968 59 HB2 HIS 9 HB2 HIS 9 9.530 -0.628 -3.649 60 HB3 HIS 9 HB3 HIS 9 9.467 0.021 -5.276 61 HD1 HIS 9 HD1 HIS 9 7.819 -2.562 -3.049 62 HD2 HIS 9 HD2 HIS 9 7.302 -0.836 -6.838 63 HE1 HIS 9 HE1 HIS 9 5.516 -3.298 -3.862 64 H VAL 10 H VAL 10 12.424 -0.999 -3.533 65 HA VAL 10 HA VAL 10 13.604 0.918 -5.153 66 HB VAL 10 HB VAL 10 14.404 -0.650 -2.733 67 HG11 VAL 10 HG11 VAL 10 16.229 1.331 -4.136 68 HG12 VAL 10 HG12 VAL 10 16.534 0.515 -2.584 69 HG13 VAL 10 HG13 VAL 10 16.468 -0.432 -4.090 70 HG21 VAL 10 HG21 VAL 10 13.635 1.142 -1.645 71 HG22 VAL 10 HG22 VAL 10 14.646 2.241 -2.614 72 HG23 VAL 10 HG23 VAL 10 13.039 1.754 -3.206 73 H GLU 11 H GLU 11 14.611 -2.515 -4.507 74 HA GLU 11 HA GLU 11 16.781 -2.517 -6.152 75 HB2 GLU 11 HB2 GLU 11 16.085 -4.329 -4.541 76 HB3 GLU 11 HB3 GLU 11 14.859 -4.840 -5.684 77 HG2 GLU 11 HG2 GLU 11 16.376 -5.961 -6.955 78 HG3 GLU 11 HG3 GLU 11 17.458 -4.583 -7.012 79 HE2 GLU 11 HE2 GLU 11 18.842 -7.050 -6.450 80 H MET 12 H MET 12 13.419 -2.258 -6.981 81 HA MET 12 HA MET 12 14.004 -3.091 -9.707 82 HB2 MET 12 HB2 MET 12 11.623 -3.111 -7.918 83 HB3 MET 12 HB3 MET 12 11.256 -2.516 -9.525 84 HG2 MET 12 HG2 MET 12 11.364 -4.612 -10.400 85 HG3 MET 12 HG3 MET 12 12.967 -4.864 -9.739 86 HE1 MET 12 HE1 MET 12 8.954 -5.363 -7.799 87 HE2 MET 12 HE2 MET 12 9.973 -4.352 -6.747 88 HE3 MET 12 HE3 MET 12 9.699 -3.880 -8.441 89 H GLY 13 H GLY 13 14.750 -0.461 -8.282 90 HA2 GLY 13 HA2 GLY 13 14.450 1.280 -10.408 91 HA3 GLY 13 HA3 GLY 13 13.089 1.585 -9.347 92 H GLY 14 H GLY 14 13.556 2.041 -6.994 93 HA2 GLY 14 HA2 GLY 14 15.919 2.432 -5.773 94 HA3 GLY 14 HA3 GLY 14 15.815 3.844 -6.807 95 H CYS 15 H CYS 15 15.809 4.920 -4.569 96 HA CYS 15 HA CYS 15 13.488 4.630 -2.981 97 HB2 CYS 15 HB2 CYS 15 15.636 6.757 -3.033 98 HB3 CYS 15 HB3 CYS 15 14.347 6.691 -1.848 99 H GLU 16 H GLU 16 14.279 6.242 -5.955 100 HA GLU 16 HA GLU 16 12.356 8.326 -5.605 101 HB2 GLU 16 HB2 GLU 16 13.981 7.440 -8.029 102 HB3 GLU 16 HB3 GLU 16 12.941 8.850 -8.007 103 HG2 GLU 16 HG2 GLU 16 14.968 9.844 -7.436 104 HG3 GLU 16 HG3 GLU 16 14.347 9.493 -5.835 105 HE2 GLU 16 HE2 GLU 16 16.458 9.104 -4.941 106 H ASN 17 H ASN 17 11.796 5.207 -5.686 107 HA ASN 17 HA ASN 17 10.223 4.867 -7.985 108 HB2 ASN 17 HB2 ASN 17 11.291 3.093 -6.334 109 HB3 ASN 17 HB3 ASN 17 9.834 3.324 -5.388 110 HD21 ASN 17 HD21 ASN 17 7.771 3.379 -6.824 111 HD22 ASN 17 HD22 ASN 17 7.599 2.071 -7.946 112 H CYS 18 H CYS 18 9.780 6.230 -4.748 113 HA CYS 18 HA CYS 18 7.068 6.945 -5.460 114 HB2 CYS 18 HB2 CYS 18 7.459 5.838 -2.696 115 HB3 CYS 18 HB3 CYS 18 5.984 6.025 -3.623 116 H HIS 19 H HIS 19 9.791 8.213 -5.225 117 HA HIS 19 HA HIS 19 8.981 10.317 -3.411 118 HB2 HIS 19 HB2 HIS 19 11.632 8.868 -3.173 119 HB3 HIS 19 HB3 HIS 19 11.274 10.404 -2.409 120 HD1 HIS 19 HD1 HIS 19 8.393 9.802 -1.362 121 HD2 HIS 19 HD2 HIS 19 11.660 7.198 -0.989 122 HE1 HIS 19 HE1 HIS 19 7.864 8.269 0.608 123 H ALA 20 H ALA 20 9.201 12.238 -4.447 124 HA ALA 20 HA ALA 20 10.671 12.249 -6.939 125 HB1 ALA 20 HB1 ALA 20 8.541 13.845 -5.613 126 HB2 ALA 20 HB2 ALA 20 9.660 14.764 -6.649 127 HB3 ALA 20 HB3 ALA 20 8.739 13.398 -7.325 128 H ASP 21 H ASP 21 12.746 12.927 -7.121 129 HA ASP 21 HA ASP 21 14.721 13.592 -6.455 130 HB2 ASP 21 HB2 ASP 21 13.299 15.735 -7.113 131 HB3 ASP 21 HB3 ASP 21 13.417 16.122 -5.408 132 HD2 ASP 21 HD2 ASP 21 15.985 16.845 -4.827 133 H GLY 22 H GLY 22 13.451 12.021 -4.418 134 HA2 GLY 22 HA2 GLY 22 13.568 11.505 -2.234 135 HA3 GLY 22 HA3 GLY 22 14.994 12.523 -2.172 136 H GLU 23 H GLU 23 11.426 13.110 -2.627 137 HA GLU 23 HA GLU 23 11.538 14.780 -0.264 138 HB2 GLU 23 HB2 GLU 23 11.857 16.184 -2.393 139 HB3 GLU 23 HB3 GLU 23 10.218 15.747 -2.832 140 HG2 GLU 23 HG2 GLU 23 9.326 17.247 -1.371 141 HG3 GLU 23 HG3 GLU 23 10.323 16.666 -0.053 142 HE2 GLU 23 HE2 GLU 23 11.261 20.069 -1.723 143 HA PRO 24 HA PRO 24 8.201 11.592 -0.111 144 HB2 PRO 24 HB2 PRO 24 8.434 12.628 2.726 145 HB3 PRO 24 HB3 PRO 24 8.304 10.952 2.101 146 HG2 PRO 24 HG2 PRO 24 10.700 11.932 2.914 147 HG3 PRO 24 HG3 PRO 24 10.397 10.760 1.590 148 HD2 PRO 24 HD2 PRO 24 11.102 13.710 1.487 149 HD3 PRO 24 HD3 PRO 24 11.543 12.399 0.351 150 H SER 25 H SER 25 6.159 12.267 -0.759 151 HA SER 25 HA SER 25 5.352 14.840 -0.752 152 HB2 SER 25 HB2 SER 25 3.175 14.029 -1.317 153 HB3 SER 25 HB3 SER 25 4.299 12.830 -1.926 154 HG SER 25 HG SER 25 2.259 12.277 -0.442 155 H LYS 26 H LYS 26 3.630 15.980 0.530 156 HA LYS 26 HA LYS 26 3.680 15.098 3.332 157 HB2 LYS 26 HB2 LYS 26 3.611 17.479 3.954 158 HB3 LYS 26 HB3 LYS 26 5.061 17.064 3.062 159 HG2 LYS 26 HG2 LYS 26 4.337 18.169 1.097 160 HG3 LYS 26 HG3 LYS 26 2.645 18.082 1.546 161 HD2 LYS 26 HD2 LYS 26 2.790 20.164 2.425 162 HD3 LYS 26 HD3 LYS 26 3.920 19.566 3.624 163 HE2 LYS 26 HE2 LYS 26 4.724 20.475 0.819 164 HE3 LYS 26 HE3 LYS 26 4.818 21.490 2.244 165 HZ1 LYS 26 HZ1 LYS 26 6.890 20.588 2.359 166 HZ2 LYS 26 HZ2 LYS 26 6.154 19.329 3.083 167 H ASP 27 H ASP 27 1.789 14.127 1.421 168 HA ASP 27 HA ASP 27 -0.570 15.270 2.631 169 HB2 ASP 27 HB2 ASP 27 -1.662 14.971 0.244 170 HB3 ASP 27 HB3 ASP 27 -0.783 16.440 0.618 171 HD2 ASP 27 HD2 ASP 27 -1.151 15.462 -1.991 172 H GLY 28 H GLY 28 0.475 12.944 0.011 173 HA2 GLY 28 HA2 GLY 28 0.511 10.561 0.787 174 HA3 GLY 28 HA3 GLY 28 -1.124 10.847 1.350 175 H ALA 29 H ALA 29 -2.023 12.570 -0.820 176 HA ALA 29 HA ALA 29 -2.937 10.653 -2.601 177 HB1 ALA 29 HB1 ALA 29 -3.046 13.129 -3.921 178 HB2 ALA 29 HB2 ALA 29 -4.300 12.423 -2.873 179 HB3 ALA 29 HB3 ALA 29 -3.093 13.538 -2.190 180 H TYR 30 H TYR 30 -0.557 13.277 -3.178 181 HA TYR 30 HA TYR 30 0.317 12.698 -5.692 182 HB2 TYR 30 HB2 TYR 30 1.155 14.517 -4.227 183 HB3 TYR 30 HB3 TYR 30 2.094 13.326 -3.311 184 HD1 TYR 30 HD1 TYR 30 1.568 13.791 -7.002 185 HD2 TYR 30 HD2 TYR 30 4.346 13.699 -3.727 186 HE1 TYR 30 HE1 TYR 30 3.452 14.052 -8.593 187 HE2 TYR 30 HE2 TYR 30 6.231 13.960 -5.319 188 HH TYR 30 HH TYR 30 6.724 13.560 -7.760 189 H GLU 31 H GLU 31 1.266 10.917 -2.668 190 HA GLU 31 HA GLU 31 3.079 9.288 -4.072 191 HB2 GLU 31 HB2 GLU 31 3.129 9.767 -1.590 192 HB3 GLU 31 HB3 GLU 31 1.712 8.755 -1.398 193 HG2 GLU 31 HG2 GLU 31 2.943 6.843 -1.506 194 HG3 GLU 31 HG3 GLU 31 3.769 7.368 -2.959 195 HE2 GLU 31 HE2 GLU 31 6.245 6.802 -0.974 196 H PHE 32 H PHE 32 -0.264 8.748 -2.749 197 HA PHE 32 HA PHE 32 -0.670 6.183 -3.432 198 HB2 PHE 32 HB2 PHE 32 -2.365 7.571 -2.329 199 HB3 PHE 32 HB3 PHE 32 -2.390 8.710 -3.660 200 HD1 PHE 32 HD1 PHE 32 -2.487 5.038 -4.057 201 HD2 PHE 32 HD2 PHE 32 -4.717 8.648 -4.109 202 HE1 PHE 32 HE1 PHE 32 -4.436 3.819 -5.063 203 HE2 PHE 32 HE2 PHE 32 -6.667 7.429 -5.116 204 HZ PHE 32 HZ PHE 32 -6.503 5.029 -5.581 205 H GLU 33 H GLU 33 -0.282 8.925 -5.636 206 HA GLU 33 HA GLU 33 -1.515 7.725 -7.840 207 HB2 GLU 33 HB2 GLU 33 -0.041 10.162 -7.239 208 HB3 GLU 33 HB3 GLU 33 0.507 9.503 -8.767 209 HG2 GLU 33 HG2 GLU 33 -1.320 10.529 -9.668 210 HG3 GLU 33 HG3 GLU 33 -2.235 9.191 -9.002 211 HE2 GLU 33 HE2 GLU 33 -4.017 11.432 -7.092 212 H GLN 34 H GLN 34 1.860 7.777 -6.579 213 HA GLN 34 HA GLN 34 3.139 6.695 -8.712 214 HB2 GLN 34 HB2 GLN 34 3.609 6.268 -5.732 215 HB3 GLN 34 HB3 GLN 34 4.739 5.740 -6.962 216 HG2 GLN 34 HG2 GLN 34 3.907 8.583 -6.280 217 HG3 GLN 34 HG3 GLN 34 5.519 7.897 -6.266 218 HE21 GLN 34 HE21 GLN 34 4.204 10.200 -7.688 219 HE22 GLN 34 HE22 GLN 34 4.612 10.015 -9.362 220 H CYS 35 H CYS 35 1.104 5.093 -6.236 221 HA CYS 35 HA CYS 35 1.756 2.492 -7.299 222 HB2 CYS 35 HB2 CYS 35 -0.441 2.870 -5.326 223 HB3 CYS 35 HB3 CYS 35 0.754 1.595 -5.453 224 H GLN 36 H GLN 36 0.767 4.064 -9.344 225 HA GLN 36 HA GLN 36 -1.710 2.722 -9.870 226 HB2 GLN 36 HB2 GLN 36 -1.801 5.362 -8.899 227 HB3 GLN 36 HB3 GLN 36 -1.977 5.547 -10.633 228 HG2 GLN 36 HG2 GLN 36 -4.044 4.543 -10.666 229 HG3 GLN 36 HG3 GLN 36 -3.581 3.315 -9.505 230 HE21 GLN 36 HE21 GLN 36 -3.706 6.879 -9.490 231 HE22 GLN 36 HE22 GLN 36 -4.661 7.058 -8.056 232 H SER 37 H SER 37 0.121 1.733 -11.230 233 HA SER 37 HA SER 37 -0.144 2.714 -13.833 234 HB2 SER 37 HB2 SER 37 2.050 3.817 -12.326 235 HB3 SER 37 HB3 SER 37 2.722 2.742 -13.535 236 HG SER 37 HG SER 37 2.218 4.145 -15.071 237 H CYS 38 H CYS 38 2.606 1.122 -12.053 238 HA CYS 38 HA CYS 38 2.688 -1.006 -13.898 239 HB2 CYS 38 HB2 CYS 38 3.911 -1.118 -11.141 240 HB3 CYS 38 HB3 CYS 38 4.484 -1.846 -12.629 241 H HIS 39 H HIS 39 0.543 -0.183 -11.380 242 HA HIS 39 HA HIS 39 -0.179 -3.001 -11.024 243 HB2 HIS 39 HB2 HIS 39 -0.427 -0.671 -9.107 244 HB3 HIS 39 HB3 HIS 39 -1.235 -2.207 -8.865 245 HD1 HIS 39 HD1 HIS 39 0.689 -4.355 -9.131 246 HD2 HIS 39 HD2 HIS 39 1.918 -0.595 -7.734 247 HE1 HIS 39 HE1 HIS 39 2.874 -4.740 -7.870 248 H GLY 40 H GLY 40 -2.034 -0.073 -10.100 249 HA2 GLY 40 HA2 GLY 40 -3.591 0.458 -12.219 250 HA3 GLY 40 HA3 GLY 40 -4.292 -1.040 -11.639 251 H SER 41 H SER 41 -6.265 0.200 -11.146 252 HA SER 41 HA SER 41 -5.926 1.921 -8.824 253 HB2 SER 41 HB2 SER 41 -7.047 3.083 -10.610 254 HB3 SER 41 HB3 SER 41 -8.104 1.725 -10.935 255 HG SER 41 HG SER 41 -8.303 2.597 -8.296 256 H LEU 42 H LEU 42 -7.236 1.561 -6.928 257 HA LEU 42 HA LEU 42 -7.677 -1.085 -6.273 258 HB2 LEU 42 HB2 LEU 42 -8.931 1.380 -5.058 259 HB3 LEU 42 HB3 LEU 42 -8.828 -0.201 -4.310 260 HG LEU 42 HG LEU 42 -6.250 0.998 -5.174 261 HD11 LEU 42 HD11 LEU 42 -8.116 2.415 -3.406 262 HD12 LEU 42 HD12 LEU 42 -6.511 2.133 -2.690 263 HD13 LEU 42 HD13 LEU 42 -6.655 2.991 -4.243 264 HD21 LEU 42 HD21 LEU 42 -7.066 -1.145 -3.595 265 HD22 LEU 42 HD22 LEU 42 -5.417 -0.491 -3.747 266 HD23 LEU 42 HD23 LEU 42 -6.477 0.065 -2.430 267 H ALA 43 H ALA 43 -9.832 1.359 -7.753 268 HA ALA 43 HA ALA 43 -12.185 -0.187 -7.459 269 HB1 ALA 43 HB1 ALA 43 -11.656 2.399 -8.037 270 HB2 ALA 43 HB2 ALA 43 -11.911 1.783 -9.687 271 HB3 ALA 43 HB3 ALA 43 -13.193 1.610 -8.464 272 H GLU 44 H GLU 44 -9.361 -0.710 -9.240 273 HA GLU 44 HA GLU 44 -10.885 -2.248 -11.197 274 HB2 GLU 44 HB2 GLU 44 -8.553 -0.430 -11.508 275 HB3 GLU 44 HB3 GLU 44 -8.392 -1.958 -12.352 276 HG2 GLU 44 HG2 GLU 44 -10.673 -1.574 -13.387 277 HG3 GLU 44 HG3 GLU 44 -10.725 -0.002 -12.614 278 HE2 GLU 44 HE2 GLU 44 -9.744 1.576 -13.636 279 H MET 45 H MET 45 -9.919 -2.934 -8.413 280 HA MET 45 HA MET 45 -8.061 -5.050 -9.181 281 HB2 MET 45 HB2 MET 45 -8.514 -3.579 -6.531 282 HB3 MET 45 HB3 MET 45 -7.535 -5.028 -6.639 283 HG2 MET 45 HG2 MET 45 -6.356 -3.627 -8.634 284 HG3 MET 45 HG3 MET 45 -6.972 -2.270 -7.713 285 HE1 MET 45 HE1 MET 45 -3.474 -2.496 -7.548 286 HE2 MET 45 HE2 MET 45 -4.901 -1.432 -7.563 287 HE3 MET 45 HE3 MET 45 -3.946 -1.619 -6.073 288 H ASP 46 H ASP 46 -8.282 -6.764 -7.010 289 HA ASP 46 HA ASP 46 -10.416 -8.280 -7.640 290 HB2 ASP 46 HB2 ASP 46 -9.986 -8.733 -4.871 291 HB3 ASP 46 HB3 ASP 46 -9.276 -9.615 -6.208 292 HD2 ASP 46 HD2 ASP 46 -7.182 -8.515 -7.014 293 H ASP 47 H ASP 47 -12.097 -8.955 -5.632 294 HA ASP 47 HA ASP 47 -13.693 -6.616 -5.348 295 HB2 ASP 47 HB2 ASP 47 -13.986 -9.564 -4.814 296 HB3 ASP 47 HB3 ASP 47 -15.047 -8.489 -3.925 297 HD2 ASP 47 HD2 ASP 47 -16.676 -7.477 -5.124 298 H ASN 48 H ASN 48 -10.993 -7.491 -3.776 299 HA ASN 48 HA ASN 48 -12.060 -7.194 -1.098 300 HB2 ASN 48 HB2 ASN 48 -9.193 -7.793 -1.999 301 HB3 ASN 48 HB3 ASN 48 -9.789 -7.882 -0.353 302 HD21 ASN 48 HD21 ASN 48 -8.611 -10.047 -1.218 303 HD22 ASN 48 HD22 ASN 48 -9.712 -11.327 -1.602 304 H HIS 49 H HIS 49 -10.111 -5.666 -3.657 305 HA HIS 49 HA HIS 49 -9.210 -3.577 -1.868 306 HB2 HIS 49 HB2 HIS 49 -8.645 -4.282 -4.747 307 HB3 HIS 49 HB3 HIS 49 -8.153 -2.743 -4.071 308 HD1 HIS 49 HD1 HIS 49 -7.559 -6.477 -3.623 309 HD2 HIS 49 HD2 HIS 49 -5.852 -2.807 -2.521 310 HE1 HIS 49 HE1 HIS 49 -5.303 -7.027 -2.566 311 H LYS 50 H LYS 50 -11.544 -4.190 -4.508 312 HA LYS 50 HA LYS 50 -12.219 -1.613 -5.156 313 HB2 LYS 50 HB2 LYS 50 -13.121 -3.280 -6.501 314 HB3 LYS 50 HB3 LYS 50 -13.694 -4.228 -5.144 315 HG2 LYS 50 HG2 LYS 50 -15.695 -3.149 -5.120 316 HG3 LYS 50 HG3 LYS 50 -14.924 -1.576 -5.106 317 HD2 LYS 50 HD2 LYS 50 -16.412 -2.141 -7.151 318 HD3 LYS 50 HD3 LYS 50 -14.836 -1.449 -7.480 319 HE2 LYS 50 HE2 LYS 50 -13.958 -3.459 -8.297 320 HE3 LYS 50 HE3 LYS 50 -15.011 -4.451 -7.310 321 HZ1 LYS 50 HZ1 LYS 50 -16.688 -3.042 -9.003 322 HZ2 LYS 50 HZ2 LYS 50 -15.458 -3.524 -9.955 323 HA PRO 51 HA PRO 51 -15.737 -2.327 -1.536 324 HB2 PRO 51 HB2 PRO 51 -13.443 -3.325 0.203 325 HB3 PRO 51 HB3 PRO 51 -15.204 -3.648 0.304 326 HG2 PRO 51 HG2 PRO 51 -13.352 -5.269 -1.003 327 HG3 PRO 51 HG3 PRO 51 -15.088 -5.430 -1.428 328 HD2 PRO 51 HD2 PRO 51 -12.927 -4.486 -3.101 329 HD3 PRO 51 HD3 PRO 51 -14.677 -4.428 -3.473 330 H HIS 52 H HIS 52 -12.193 -1.560 -1.058 331 HA HIS 52 HA HIS 52 -12.918 0.705 0.545 332 HB2 HIS 52 HB2 HIS 52 -10.243 -0.274 -0.490 333 HB3 HIS 52 HB3 HIS 52 -10.453 1.082 0.600 334 HD1 HIS 52 HD1 HIS 52 -9.779 -2.453 0.636 335 HD2 HIS 52 HD2 HIS 52 -11.903 0.180 3.117 336 HE1 HIS 52 HE1 HIS 52 -10.019 -3.629 2.887 337 H ASP 53 H ASP 53 -11.119 0.231 -2.584 338 HA ASP 53 HA ASP 53 -10.535 1.871 -4.008 339 HB2 ASP 53 HB2 ASP 53 -12.456 2.296 -5.522 340 HB3 ASP 53 HB3 ASP 53 -12.413 0.623 -5.003 341 HD2 ASP 53 HD2 ASP 53 -14.898 2.963 -5.349 342 H GLY 54 H GLY 54 -9.814 3.705 -2.705 343 HA2 GLY 54 HA2 GLY 54 -9.889 5.965 -2.374 344 HA3 GLY 54 HA3 GLY 54 -11.579 5.997 -2.836 345 H LEU 55 H LEU 55 -9.536 4.482 -0.227 346 HA LEU 55 HA LEU 55 -11.280 5.725 1.737 347 HB2 LEU 55 HB2 LEU 55 -11.235 2.857 1.096 348 HB3 LEU 55 HB3 LEU 55 -11.007 3.217 2.796 349 HG LEU 55 HG LEU 55 -13.369 3.912 1.046 350 HD11 LEU 55 HD11 LEU 55 -13.523 2.569 3.719 351 HD12 LEU 55 HD12 LEU 55 -14.588 2.425 2.300 352 HD13 LEU 55 HD13 LEU 55 -12.993 1.635 2.299 353 HD21 LEU 55 HD21 LEU 55 -13.338 5.880 2.193 354 HD22 LEU 55 HD22 LEU 55 -14.203 4.871 3.378 355 HD23 LEU 55 HD23 LEU 55 -12.464 5.193 3.584 356 H LEU 56 H LEU 56 -8.438 3.574 1.088 357 HA LEU 56 HA LEU 56 -6.863 5.294 2.801 358 HB2 LEU 56 HB2 LEU 56 -6.102 3.604 4.265 359 HB3 LEU 56 HB3 LEU 56 -7.854 3.614 4.320 360 HG LEU 56 HG LEU 56 -6.609 1.691 2.422 361 HD11 LEU 56 HD11 LEU 56 -6.541 0.134 4.613 362 HD12 LEU 56 HD12 LEU 56 -5.122 1.001 3.977 363 HD13 LEU 56 HD13 LEU 56 -6.047 1.685 5.335 364 HD21 LEU 56 HD21 LEU 56 -9.122 2.084 3.810 365 HD22 LEU 56 HD22 LEU 56 -8.738 1.058 2.407 366 HD23 LEU 56 HD23 LEU 56 -8.497 0.435 4.057 367 H MET 57 H MET 57 -4.799 5.514 2.022 368 HA MET 57 HA MET 57 -4.252 4.689 -0.521 369 HB2 MET 57 HB2 MET 57 -2.672 5.750 1.824 370 HB3 MET 57 HB3 MET 57 -1.741 5.097 0.491 371 HG2 MET 57 HG2 MET 57 -1.954 7.237 -0.340 372 HG3 MET 57 HG3 MET 57 -3.487 6.629 -0.933 373 HE1 MET 57 HE1 MET 57 -2.959 9.391 -0.782 374 HE2 MET 57 HE2 MET 57 -4.737 9.319 -0.767 375 HE3 MET 57 HE3 MET 57 -3.877 10.332 0.418 376 H CYS 58 H CYS 58 -2.293 3.305 -1.229 377 HA CYS 58 HA CYS 58 -2.741 0.689 -0.511 378 HB2 CYS 58 HB2 CYS 58 -0.137 1.724 -1.631 379 HB3 CYS 58 HB3 CYS 58 -0.833 0.127 -1.822 380 H ALA 59 H ALA 59 0.323 2.554 0.131 381 HA ALA 59 HA ALA 59 1.509 0.944 1.897 382 HB1 ALA 59 HB1 ALA 59 2.448 3.046 2.918 383 HB2 ALA 59 HB2 ALA 59 2.499 3.021 1.139 384 HB3 ALA 59 HB3 ALA 59 1.254 3.975 1.981 385 H ASP 60 H ASP 60 -1.108 3.325 2.681 386 HA ASP 60 HA ASP 60 -1.244 3.222 5.291 387 HB2 ASP 60 HB2 ASP 60 -3.057 3.750 3.200 388 HB3 ASP 60 HB3 ASP 60 -3.897 2.567 4.181 389 HD2 ASP 60 HD2 ASP 60 -2.197 5.527 4.436 390 H CYS 61 H CYS 61 -1.908 0.543 3.037 391 HA CYS 61 HA CYS 61 -2.679 -1.139 5.305 392 HB2 CYS 61 HB2 CYS 61 -3.695 -0.916 2.593 393 HB3 CYS 61 HB3 CYS 61 -3.153 -2.552 2.913 394 H HIS 62 H HIS 62 -0.775 -1.038 2.206 395 HA HIS 62 HA HIS 62 0.798 -3.282 3.119 396 HB2 HIS 62 HB2 HIS 62 0.874 -1.668 0.554 397 HB3 HIS 62 HB3 HIS 62 1.876 -3.067 0.884 398 HD1 HIS 62 HD1 HIS 62 0.196 -5.274 1.719 399 HD2 HIS 62 HD2 HIS 62 -1.302 -2.374 -0.915 400 HE1 HIS 62 HE1 HIS 62 -1.780 -6.352 0.518 401 H ALA 63 H ALA 63 1.271 -1.593 5.041 402 HA ALA 63 HA ALA 63 2.847 0.561 4.849 403 HB1 ALA 63 HB1 ALA 63 2.592 -1.706 6.774 404 HB2 ALA 63 HB2 ALA 63 4.015 -0.653 6.966 405 HB3 ALA 63 HB3 ALA 63 2.378 0.043 7.030 406 HA PRO 64 HA PRO 64 6.109 -1.189 2.265 407 HB2 PRO 64 HB2 PRO 64 6.770 1.726 2.071 408 HB3 PRO 64 HB3 PRO 64 6.416 0.523 0.790 409 HG2 PRO 64 HG2 PRO 64 4.386 2.392 1.320 410 HG3 PRO 64 HG3 PRO 64 4.222 0.654 0.909 411 HD2 PRO 64 HD2 PRO 64 4.347 1.989 3.679 412 HD3 PRO 64 HD3 PRO 64 3.061 0.928 3.028 413 H HIS 65 H HIS 65 6.674 1.748 4.393 414 HA HIS 65 HA HIS 65 9.288 0.728 4.994 415 HB2 HIS 65 HB2 HIS 65 7.754 3.203 5.801 416 HB3 HIS 65 HB3 HIS 65 9.318 2.811 6.488 417 HD1 HIS 65 HD1 HIS 65 11.062 2.047 4.209 418 HD2 HIS 65 HD2 HIS 65 8.145 5.037 3.833 419 HE1 HIS 65 HE1 HIS 65 11.776 3.498 2.235 420 H GLU 66 H GLU 66 7.968 -1.338 5.785 421 HA GLU 66 HA GLU 66 8.441 -1.607 8.432 422 HB2 GLU 66 HB2 GLU 66 6.125 -0.038 8.144 423 HB3 GLU 66 HB3 GLU 66 5.503 -1.639 8.489 424 HG2 GLU 66 HG2 GLU 66 7.029 -1.782 10.484 425 HG3 GLU 66 HG3 GLU 66 7.601 -0.160 10.148 426 HE2 GLU 66 HE2 GLU 66 6.188 -0.824 12.517 427 H ALA 67 H ALA 67 5.677 -2.421 6.201 428 HA ALA 67 HA ALA 67 5.621 -5.127 6.946 429 HB1 ALA 67 HB1 ALA 67 4.706 -4.017 4.280 430 HB2 ALA 67 HB2 ALA 67 3.993 -5.331 5.246 431 HB3 ALA 67 HB3 ALA 67 3.840 -3.643 5.789 432 H LYS 68 H LYS 68 5.956 -6.926 5.188 433 HA LYS 68 HA LYS 68 8.388 -6.347 3.664 434 HB2 LYS 68 HB2 LYS 68 8.060 -8.864 5.309 435 HB3 LYS 68 HB3 LYS 68 9.487 -8.309 4.457 436 HG2 LYS 68 HG2 LYS 68 10.130 -7.352 6.417 437 HG3 LYS 68 HG3 LYS 68 8.900 -6.141 6.118 438 HD2 LYS 68 HD2 LYS 68 7.910 -6.822 8.046 439 HD3 LYS 68 HD3 LYS 68 7.433 -8.277 7.193 440 HE2 LYS 68 HE2 LYS 68 9.913 -9.076 7.819 441 HE3 LYS 68 HE3 LYS 68 9.767 -7.856 9.069 442 HZ1 LYS 68 HZ1 LYS 68 7.697 -9.942 8.673 443 HZ2 LYS 68 HZ2 LYS 68 8.955 -10.150 9.687 444 H VAL 69 H VAL 69 8.394 -7.200 1.616 445 HA VAL 69 HA VAL 69 6.221 -7.788 0.252 446 HB VAL 69 HB VAL 69 9.040 -8.722 0.062 447 HG11 VAL 69 HG11 VAL 69 8.509 -9.873 -2.110 448 HG12 VAL 69 HG12 VAL 69 7.940 -10.731 -0.658 449 HG13 VAL 69 HG13 VAL 69 6.789 -9.810 -1.656 450 HG21 VAL 69 HG21 VAL 69 9.028 -7.427 -1.974 451 HG22 VAL 69 HG22 VAL 69 7.258 -7.257 -1.911 452 HG23 VAL 69 HG23 VAL 69 8.273 -6.462 -0.683 453 H GLY 70 H GLY 70 4.634 -9.314 0.128 454 HA2 GLY 70 HA2 GLY 70 3.680 -11.386 0.287 455 HA3 GLY 70 HA3 GLY 70 5.136 -12.022 1.026 456 H GLU 71 H GLU 71 3.326 -9.085 2.076 457 HA GLU 71 HA GLU 71 2.969 -10.419 4.630 458 HB2 GLU 71 HB2 GLU 71 4.159 -8.106 4.313 459 HB3 GLU 71 HB3 GLU 71 2.542 -7.460 4.120 460 HG2 GLU 71 HG2 GLU 71 2.681 -7.250 6.413 461 HG3 GLU 71 HG3 GLU 71 2.107 -8.905 6.366 462 HE2 GLU 71 HE2 GLU 71 4.173 -7.189 7.883 463 H LYS 72 H LYS 72 0.903 -10.468 5.686 464 HA LYS 72 HA LYS 72 -1.328 -9.827 3.883 465 HB2 LYS 72 HB2 LYS 72 -0.834 -12.218 5.648 466 HB3 LYS 72 HB3 LYS 72 -2.468 -11.737 5.239 467 HG2 LYS 72 HG2 LYS 72 -0.949 -11.643 2.806 468 HG3 LYS 72 HG3 LYS 72 -0.531 -13.147 3.602 469 HD2 LYS 72 HD2 LYS 72 -3.007 -13.630 3.876 470 HD3 LYS 72 HD3 LYS 72 -3.356 -12.183 2.953 471 HE2 LYS 72 HE2 LYS 72 -3.430 -13.976 1.363 472 HE3 LYS 72 HE3 LYS 72 -1.906 -13.164 1.068 473 HZ1 LYS 72 HZ1 LYS 72 -1.112 -15.273 1.281 474 HZ2 LYS 72 HZ2 LYS 72 -1.154 -14.979 2.882 475 HA PRO 73 HA PRO 73 -1.613 -6.784 7.251 476 HB2 PRO 73 HB2 PRO 73 -3.742 -6.012 5.215 477 HB3 PRO 73 HB3 PRO 73 -2.625 -4.989 6.176 478 HG2 PRO 73 HG2 PRO 73 -2.013 -5.571 3.547 479 HG3 PRO 73 HG3 PRO 73 -0.735 -5.588 4.806 480 HD2 PRO 73 HD2 PRO 73 -2.330 -7.890 3.582 481 HD3 PRO 73 HD3 PRO 73 -0.583 -7.809 3.965 482 H THR 74 H THR 74 -2.933 -7.027 9.070 483 HA THR 74 HA THR 74 -5.170 -8.865 8.788 484 HB THR 74 HB THR 74 -5.052 -8.819 11.292 485 HG1 THR 74 HG1 THR 74 -4.369 -6.668 11.660 486 HG21 THR 74 HG21 THR 74 -3.453 -10.393 10.404 487 HG22 THR 74 HG22 THR 74 -2.409 -9.091 9.785 488 HG23 THR 74 HG23 THR 74 -2.525 -9.382 11.538 489 H CYS 75 H CYS 75 -7.314 -8.394 9.078 490 HA CYS 75 HA CYS 75 -8.065 -5.745 8.540 491 HB2 CYS 75 HB2 CYS 75 -9.838 -7.964 9.570 492 HB3 CYS 75 HB3 CYS 75 -10.330 -6.530 8.691 493 H ASP 76 H ASP 76 -7.994 -7.841 11.481 494 HA ASP 76 HA ASP 76 -9.381 -6.479 13.253 495 HB2 ASP 76 HB2 ASP 76 -6.738 -7.901 13.392 496 HB3 ASP 76 HB3 ASP 76 -7.186 -6.958 14.799 497 HD2 ASP 76 HD2 ASP 76 -7.263 -9.999 13.873 498 H THR 77 H THR 77 -6.357 -5.471 11.676 499 HA THR 77 HA THR 77 -5.439 -3.532 13.415 500 HB THR 77 HB THR 77 -5.425 -3.306 10.373 501 HG1 THR 77 HG1 THR 77 -3.552 -4.869 10.741 502 HG21 THR 77 HG21 THR 77 -2.848 -3.164 11.646 503 HG22 THR 77 HG22 THR 77 -3.713 -1.857 10.802 504 HG23 THR 77 HG23 THR 77 -3.943 -2.093 12.552 505 H CYS 78 H CYS 78 -8.041 -3.320 10.936 506 HA CYS 78 HA CYS 78 -8.677 -0.707 12.104 507 HB2 CYS 78 HB2 CYS 78 -8.770 -1.670 9.257 508 HB3 CYS 78 HB3 CYS 78 -9.903 -0.442 9.785 509 H HIS 79 H HIS 79 -9.940 -3.731 10.545 510 HA HIS 79 HA HIS 79 -12.526 -3.207 11.770 511 HB2 HIS 79 HB2 HIS 79 -11.780 -5.409 9.833 512 HB3 HIS 79 HB3 HIS 79 -13.391 -4.898 10.295 513 HD1 HIS 79 HD1 HIS 79 -13.494 -1.962 9.834 514 HD2 HIS 79 HD2 HIS 79 -11.317 -4.509 7.310 515 HE1 HIS 79 HE1 HIS 79 -13.234 -0.723 7.619 516 H ASP 80 H ASP 80 -12.136 -3.662 13.969 517 HA ASP 80 HA ASP 80 -10.950 -6.213 14.569 518 HB2 ASP 80 HB2 ASP 80 -10.978 -5.449 16.889 519 HB3 ASP 80 HB3 ASP 80 -10.355 -4.160 15.877 520 HD2 ASP 80 HD2 ASP 80 -12.567 -2.364 17.930 521 H ASP 81 H ASP 81 -13.564 -6.134 13.186 522 HA ASP 81 HA ASP 81 -15.375 -6.891 15.325 523 HB2 ASP 81 HB2 ASP 81 -17.105 -6.828 13.446 524 HB3 ASP 81 HB3 ASP 81 -16.374 -5.287 13.846 525 HD2 ASP 81 HD2 ASP 81 -16.500 -4.845 10.705 526 H GLY 82 H GLY 82 -13.002 -8.419 13.923 527 HA2 GLY 82 HA2 GLY 82 -12.815 -10.752 13.880 528 HA3 GLY 82 HA3 GLY 82 -14.511 -10.895 13.462 529 H ARG 83 H ARG 83 -13.986 -8.471 11.493 530 HA ARG 83 HA ARG 83 -14.101 -9.675 9.194 531 HB2 ARG 83 HB2 ARG 83 -13.311 -7.077 10.077 532 HB3 ARG 83 HB3 ARG 83 -12.116 -7.547 8.885 533 HG2 ARG 83 HG2 ARG 83 -14.117 -6.360 7.899 534 HG3 ARG 83 HG3 ARG 83 -13.821 -7.938 7.197 535 HD2 ARG 83 HD2 ARG 83 -15.898 -8.625 7.801 536 HD3 ARG 83 HD3 ARG 83 -15.532 -8.322 9.488 537 HE ARG 83 HE ARG 83 -16.630 -6.236 9.353 538 H THR 84 H THR 84 -12.806 -10.842 7.732 539 HA THR 84 HA THR 84 -9.954 -11.074 8.391 540 HB THR 84 HB THR 84 -10.307 -13.588 7.828 541 HG1 THR 84 HG1 THR 84 -13.008 -12.631 8.470 542 HG21 THR 84 HG21 THR 84 -12.027 -13.291 10.187 543 HG22 THR 84 HG22 THR 84 -10.381 -13.961 10.084 544 HG23 THR 84 HG23 THR 84 -10.618 -12.209 10.292 545 H ALA 85 H ALA 85 -8.607 -11.805 6.590 546 HA ALA 85 HA ALA 85 -9.225 -10.405 4.260 547 HB1 ALA 85 HB1 ALA 85 -7.262 -11.962 3.405 548 HB2 ALA 85 HB2 ALA 85 -6.951 -10.712 4.634 549 HB3 ALA 85 HB3 ALA 85 -7.153 -12.412 5.124 550 H LYS 86 H LYS 86 -9.551 -11.274 2.054 551 HA LYS 86 HA LYS 86 -11.337 -13.584 2.177 552 HB2 LYS 86 HB2 LYS 86 -12.329 -11.545 1.316 553 HB3 LYS 86 HB3 LYS 86 -11.042 -11.356 0.143 554 HG2 LYS 86 HG2 LYS 86 -11.791 -13.148 -1.187 555 HG3 LYS 86 HG3 LYS 86 -12.592 -13.948 0.150 556 HD2 LYS 86 HD2 LYS 86 -14.119 -11.750 0.142 557 HD3 LYS 86 HD3 LYS 86 -13.550 -11.610 -1.509 558 HE2 LYS 86 HE2 LYS 86 -14.272 -14.080 -1.819 559 HE3 LYS 86 HE3 LYS 86 -15.088 -13.934 -0.275 560 HZ1 LYS 86 HZ1 LYS 86 -15.670 -12.435 -2.756 561 HZ2 LYS 86 HZ2 LYS 86 -16.693 -13.344 -1.874 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 17.244 -9.874 1.421 2 HA ALA 1 HA ALA 1 16.201 -12.541 1.611 3 HB1 ALA 1 HB1 ALA 1 18.202 -11.529 3.518 4 HB2 ALA 1 HB2 ALA 1 16.691 -12.052 4.298 5 HB3 ALA 1 HB3 ALA 1 17.598 -13.185 3.268 6 H ASP 2 H ASP 2 14.769 -12.237 4.015 7 HA ASP 2 HA ASP 2 12.574 -10.973 3.299 8 HB2 ASP 2 HB2 ASP 2 13.572 -10.678 6.155 9 HB3 ASP 2 HB3 ASP 2 11.925 -10.928 5.613 10 HD2 ASP 2 HD2 ASP 2 11.544 -13.210 4.739 11 H GLU 3 H GLU 3 12.545 -8.897 2.360 12 HA GLU 3 HA GLU 3 13.724 -6.785 3.991 13 HB2 GLU 3 HB2 GLU 3 14.469 -5.626 2.025 14 HB3 GLU 3 HB3 GLU 3 15.002 -7.286 1.849 15 HG2 GLU 3 HG2 GLU 3 12.810 -7.693 0.523 16 HG3 GLU 3 HG3 GLU 3 12.622 -5.951 0.494 17 HE2 GLU 3 HE2 GLU 3 15.374 -7.674 -1.823 18 H THR 4 H THR 4 12.667 -4.588 3.603 19 HA THR 4 HA THR 4 9.859 -4.871 3.826 20 HB THR 4 HB THR 4 9.981 -2.386 4.033 21 HG1 THR 4 HG1 THR 4 12.824 -2.692 3.562 22 HG21 THR 4 HG21 THR 4 12.480 -3.641 5.281 23 HG22 THR 4 HG22 THR 4 11.616 -2.193 5.850 24 HG23 THR 4 HG23 THR 4 10.850 -3.794 5.980 25 H LEU 5 H LEU 5 8.227 -3.736 2.497 26 HA LEU 5 HA LEU 5 8.415 -4.592 -0.155 27 HB2 LEU 5 HB2 LEU 5 6.396 -4.048 1.436 28 HB3 LEU 5 HB3 LEU 5 6.509 -2.456 0.711 29 HG LEU 5 HG LEU 5 6.558 -4.130 -1.495 30 HD11 LEU 5 HD11 LEU 5 4.536 -5.247 0.466 31 HD12 LEU 5 HD12 LEU 5 4.736 -5.711 -1.241 32 HD13 LEU 5 HD13 LEU 5 6.025 -6.064 -0.065 33 HD21 LEU 5 HD21 LEU 5 5.320 -1.960 -1.065 34 HD22 LEU 5 HD22 LEU 5 4.463 -3.181 -2.036 35 HD23 LEU 5 HD23 LEU 5 4.036 -2.946 -0.324 36 H ALA 6 H ALA 6 9.076 -1.455 1.451 37 HA ALA 6 HA ALA 6 9.262 0.095 -0.853 38 HB1 ALA 6 HB1 ALA 6 9.897 1.718 0.617 39 HB2 ALA 6 HB2 ALA 6 9.407 0.518 1.837 40 HB3 ALA 6 HB3 ALA 6 11.122 0.684 1.390 41 H GLU 7 H GLU 7 11.573 -2.117 0.771 42 HA GLU 7 HA GLU 7 13.771 -1.294 -0.760 43 HB2 GLU 7 HB2 GLU 7 13.455 -2.818 1.478 44 HB3 GLU 7 HB3 GLU 7 13.687 -4.092 0.297 45 HG2 GLU 7 HG2 GLU 7 15.768 -2.826 -0.513 46 HG3 GLU 7 HG3 GLU 7 15.572 -1.760 0.864 47 HE2 GLU 7 HE2 GLU 7 17.517 -4.173 0.203 48 H PHE 8 H PHE 8 11.520 -4.136 -0.980 49 HA PHE 8 HA PHE 8 12.628 -5.389 -3.128 50 HB2 PHE 8 HB2 PHE 8 10.673 -6.153 -1.740 51 HB3 PHE 8 HB3 PHE 8 9.694 -4.845 -2.374 52 HD1 PHE 8 HD1 PHE 8 11.650 -7.794 -3.560 53 HD2 PHE 8 HD2 PHE 8 8.290 -5.273 -4.161 54 HE1 PHE 8 HE1 PHE 8 10.865 -9.284 -5.420 55 HE2 PHE 8 HE2 PHE 8 7.505 -6.763 -6.022 56 HZ PHE 8 HZ PHE 8 8.802 -8.751 -6.629 57 H HIS 9 H HIS 9 10.526 -2.478 -3.066 58 HA HIS 9 HA HIS 9 10.193 -2.465 -5.890 59 HB2 HIS 9 HB2 HIS 9 9.487 -0.650 -3.613 60 HB3 HIS 9 HB3 HIS 9 9.461 -0.001 -5.241 61 HD1 HIS 9 HD1 HIS 9 7.749 -2.559 -3.040 62 HD2 HIS 9 HD2 HIS 9 7.340 -0.874 -6.860 63 HE1 HIS 9 HE1 HIS 9 5.464 -3.297 -3.906 64 H VAL 10 H VAL 10 12.425 -0.991 -3.510 65 HA VAL 10 HA VAL 10 13.577 0.912 -5.157 66 HB VAL 10 HB VAL 10 14.444 -0.663 -2.762 67 HG11 VAL 10 HG11 VAL 10 16.436 1.140 -2.871 68 HG12 VAL 10 HG12 VAL 10 16.583 -0.507 -3.529 69 HG13 VAL 10 HG13 VAL 10 16.216 0.855 -4.614 70 HG21 VAL 10 HG21 VAL 10 14.234 1.385 -1.609 71 HG22 VAL 10 HG22 VAL 10 14.272 2.336 -3.113 72 HG23 VAL 10 HG23 VAL 10 12.847 1.343 -2.724 73 H GLU 11 H GLU 11 14.618 -2.513 -4.524 74 HA GLU 11 HA GLU 11 16.747 -2.517 -6.214 75 HB2 GLU 11 HB2 GLU 11 16.066 -4.332 -4.593 76 HB3 GLU 11 HB3 GLU 11 14.834 -4.843 -5.730 77 HG2 GLU 11 HG2 GLU 11 17.325 -4.607 -7.174 78 HG3 GLU 11 HG3 GLU 11 17.638 -5.520 -5.712 79 HE2 GLU 11 HE2 GLU 11 16.529 -7.694 -8.404 80 H MET 12 H MET 12 13.363 -2.278 -6.978 81 HA MET 12 HA MET 12 13.906 -3.084 -9.721 82 HB2 MET 12 HB2 MET 12 11.586 -3.201 -7.883 83 HB3 MET 12 HB3 MET 12 11.146 -2.504 -9.430 84 HG2 MET 12 HG2 MET 12 11.170 -4.556 -10.403 85 HG3 MET 12 HG3 MET 12 12.842 -4.793 -9.936 86 HE1 MET 12 HE1 MET 12 9.477 -4.261 -8.416 87 HE2 MET 12 HE2 MET 12 9.184 -5.644 -7.334 88 HE3 MET 12 HE3 MET 12 10.226 -4.302 -6.802 89 H GLY 13 H GLY 13 14.624 -0.449 -8.262 90 HA2 GLY 13 HA2 GLY 13 14.269 1.303 -10.381 91 HA3 GLY 13 HA3 GLY 13 12.933 1.586 -9.283 92 H GLY 14 H GLY 14 13.436 2.070 -6.959 93 HA2 GLY 14 HA2 GLY 14 15.844 2.465 -5.799 94 HA3 GLY 14 HA3 GLY 14 15.674 3.888 -6.806 95 H CYS 15 H CYS 15 15.702 4.978 -4.597 96 HA CYS 15 HA CYS 15 13.425 4.603 -2.940 97 HB2 CYS 15 HB2 CYS 15 15.573 6.731 -2.972 98 HB3 CYS 15 HB3 CYS 15 14.303 6.635 -1.768 99 H GLU 16 H GLU 16 14.231 6.390 -5.838 100 HA GLU 16 HA GLU 16 12.237 8.390 -5.399 101 HB2 GLU 16 HB2 GLU 16 13.923 7.721 -7.851 102 HB3 GLU 16 HB3 GLU 16 12.866 9.113 -7.726 103 HG2 GLU 16 HG2 GLU 16 14.899 10.059 -7.067 104 HG3 GLU 16 HG3 GLU 16 14.229 9.620 -5.508 105 HE2 GLU 16 HE2 GLU 16 17.012 7.178 -7.078 106 H ASN 17 H ASN 17 11.767 5.275 -5.688 107 HA ASN 17 HA ASN 17 10.289 5.005 -8.049 108 HB2 ASN 17 HB2 ASN 17 11.308 3.194 -6.398 109 HB3 ASN 17 HB3 ASN 17 9.792 3.362 -5.535 110 HD21 ASN 17 HD21 ASN 17 7.790 3.160 -6.819 111 HD22 ASN 17 HD22 ASN 17 7.723 1.985 -8.090 112 H CYS 18 H CYS 18 9.642 6.108 -4.720 113 HA CYS 18 HA CYS 18 6.938 6.795 -5.550 114 HB2 CYS 18 HB2 CYS 18 7.274 5.786 -2.754 115 HB3 CYS 18 HB3 CYS 18 5.853 5.799 -3.779 116 H HIS 19 H HIS 19 9.774 8.013 -5.041 117 HA HIS 19 HA HIS 19 8.782 10.145 -3.313 118 HB2 HIS 19 HB2 HIS 19 11.487 8.798 -3.106 119 HB3 HIS 19 HB3 HIS 19 11.095 10.326 -2.344 120 HD1 HIS 19 HD1 HIS 19 8.249 9.653 -1.253 121 HD2 HIS 19 HD2 HIS 19 11.585 7.132 -0.923 122 HE1 HIS 19 HE1 HIS 19 7.787 8.112 0.728 123 H ALA 20 H ALA 20 9.090 12.168 -4.163 124 HA ALA 20 HA ALA 20 10.428 12.266 -6.740 125 HB1 ALA 20 HB1 ALA 20 8.451 13.955 -5.222 126 HB2 ALA 20 HB2 ALA 20 9.416 14.701 -6.517 127 HB3 ALA 20 HB3 ALA 20 8.359 13.316 -6.881 128 H ASP 21 H ASP 21 12.508 12.916 -6.936 129 HA ASP 21 HA ASP 21 14.500 13.558 -6.291 130 HB2 ASP 21 HB2 ASP 21 12.818 15.999 -5.575 131 HB3 ASP 21 HB3 ASP 21 14.570 16.035 -5.564 132 HD2 ASP 21 HD2 ASP 21 14.869 17.378 -7.601 133 H GLY 22 H GLY 22 13.313 11.958 -4.257 134 HA2 GLY 22 HA2 GLY 22 13.470 11.420 -2.082 135 HA3 GLY 22 HA3 GLY 22 14.870 12.471 -2.025 136 H GLU 23 H GLU 23 11.300 13.031 -2.479 137 HA GLU 23 HA GLU 23 11.376 14.627 -0.064 138 HB2 GLU 23 HB2 GLU 23 11.662 16.001 -2.308 139 HB3 GLU 23 HB3 GLU 23 9.941 15.726 -2.491 140 HG2 GLU 23 HG2 GLU 23 10.278 16.526 0.216 141 HG3 GLU 23 HG3 GLU 23 11.332 17.580 -0.705 142 HE2 GLU 23 HE2 GLU 23 9.776 19.421 -1.918 143 HA PRO 24 HA PRO 24 8.049 11.443 0.001 144 HB2 PRO 24 HB2 PRO 24 8.187 12.485 2.842 145 HB3 PRO 24 HB3 PRO 24 8.098 10.807 2.215 146 HG2 PRO 24 HG2 PRO 24 10.443 11.802 3.090 147 HG3 PRO 24 HG3 PRO 24 10.237 10.625 1.752 148 HD2 PRO 24 HD2 PRO 24 10.873 13.589 1.689 149 HD3 PRO 24 HD3 PRO 24 11.375 12.297 0.556 150 H SER 25 H SER 25 5.996 12.067 -0.661 151 HA SER 25 HA SER 25 5.169 14.639 -0.711 152 HB2 SER 25 HB2 SER 25 3.082 13.809 -1.416 153 HB3 SER 25 HB3 SER 25 4.176 12.499 -1.814 154 HG SER 25 HG SER 25 2.054 12.055 -0.563 155 H LYS 26 H LYS 26 3.495 15.826 0.539 156 HA LYS 26 HA LYS 26 3.463 14.955 3.346 157 HB2 LYS 26 HB2 LYS 26 3.455 17.297 3.981 158 HB3 LYS 26 HB3 LYS 26 4.853 16.944 2.987 159 HG2 LYS 26 HG2 LYS 26 2.621 17.715 1.280 160 HG3 LYS 26 HG3 LYS 26 2.846 18.924 2.528 161 HD2 LYS 26 HD2 LYS 26 5.451 18.556 1.840 162 HD3 LYS 26 HD3 LYS 26 4.709 18.101 0.319 163 HE2 LYS 26 HE2 LYS 26 3.376 20.295 0.430 164 HE3 LYS 26 HE3 LYS 26 4.367 20.748 1.802 165 HZ1 LYS 26 HZ1 LYS 26 5.094 21.369 -0.630 166 HZ2 LYS 26 HZ2 LYS 26 6.225 20.966 0.470 167 H ASP 27 H ASP 27 1.610 13.977 1.386 168 HA ASP 27 HA ASP 27 -0.773 15.081 2.575 169 HB2 ASP 27 HB2 ASP 27 -1.831 14.875 0.168 170 HB3 ASP 27 HB3 ASP 27 -0.949 16.327 0.600 171 HD2 ASP 27 HD2 ASP 27 -1.382 14.509 -1.859 172 H GLY 28 H GLY 28 0.340 12.855 -0.103 173 HA2 GLY 28 HA2 GLY 28 0.388 10.455 0.497 174 HA3 GLY 28 HA3 GLY 28 -1.210 10.683 1.180 175 H ALA 29 H ALA 29 -2.012 12.653 -0.976 176 HA ALA 29 HA ALA 29 -3.134 10.785 -2.748 177 HB1 ALA 29 HB1 ALA 29 -4.422 12.562 -3.273 178 HB2 ALA 29 HB2 ALA 29 -3.522 13.452 -2.022 179 HB3 ALA 29 HB3 ALA 29 -3.010 13.548 -3.724 180 H TYR 30 H TYR 30 -0.593 13.280 -3.165 181 HA TYR 30 HA TYR 30 0.109 12.772 -5.809 182 HB2 TYR 30 HB2 TYR 30 1.009 14.644 -4.606 183 HB3 TYR 30 HB3 TYR 30 1.780 13.584 -3.414 184 HD1 TYR 30 HD1 TYR 30 1.737 13.955 -7.162 185 HD2 TYR 30 HD2 TYR 30 4.069 13.381 -3.600 186 HE1 TYR 30 HE1 TYR 30 3.810 13.929 -8.523 187 HE2 TYR 30 HE2 TYR 30 6.142 13.355 -4.962 188 HH TYR 30 HH TYR 30 6.228 12.973 -8.283 189 H GLU 31 H GLU 31 1.331 11.108 -2.802 190 HA GLU 31 HA GLU 31 3.073 9.481 -4.265 191 HB2 GLU 31 HB2 GLU 31 3.199 10.012 -1.784 192 HB3 GLU 31 HB3 GLU 31 1.850 8.923 -1.529 193 HG2 GLU 31 HG2 GLU 31 3.242 7.135 -1.546 194 HG3 GLU 31 HG3 GLU 31 3.798 7.547 -3.156 195 HE2 GLU 31 HE2 GLU 31 6.650 7.433 -1.326 196 H PHE 32 H PHE 32 -0.242 8.968 -2.893 197 HA PHE 32 HA PHE 32 -0.617 6.354 -3.454 198 HB2 PHE 32 HB2 PHE 32 -2.307 7.757 -2.364 199 HB3 PHE 32 HB3 PHE 32 -2.372 8.852 -3.730 200 HD1 PHE 32 HD1 PHE 32 -2.653 5.133 -3.490 201 HD2 PHE 32 HD2 PHE 32 -4.485 8.782 -4.645 202 HE1 PHE 32 HE1 PHE 32 -4.606 3.858 -4.417 203 HE2 PHE 32 HE2 PHE 32 -6.439 7.507 -5.572 204 HZ PHE 32 HZ PHE 32 -6.476 5.060 -5.448 205 H GLU 33 H GLU 33 -0.209 8.990 -5.753 206 HA GLU 33 HA GLU 33 -1.503 7.715 -7.895 207 HB2 GLU 33 HB2 GLU 33 -0.077 10.192 -7.398 208 HB3 GLU 33 HB3 GLU 33 0.506 9.486 -8.893 209 HG2 GLU 33 HG2 GLU 33 -2.020 9.142 -9.489 210 HG3 GLU 33 HG3 GLU 33 -2.349 10.254 -8.176 211 HE2 GLU 33 HE2 GLU 33 -1.449 12.755 -8.871 212 H GLN 34 H GLN 34 1.901 7.872 -6.714 213 HA GLN 34 HA GLN 34 3.176 6.741 -8.804 214 HB2 GLN 34 HB2 GLN 34 3.635 6.366 -5.816 215 HB3 GLN 34 HB3 GLN 34 4.766 5.798 -7.029 216 HG2 GLN 34 HG2 GLN 34 3.957 8.663 -6.415 217 HG3 GLN 34 HG3 GLN 34 5.564 7.964 -6.386 218 HE21 GLN 34 HE21 GLN 34 4.085 10.193 -7.900 219 HE22 GLN 34 HE22 GLN 34 4.554 9.986 -9.554 220 H CYS 35 H CYS 35 1.141 5.157 -6.316 221 HA CYS 35 HA CYS 35 1.799 2.550 -7.367 222 HB2 CYS 35 HB2 CYS 35 -0.370 2.941 -5.363 223 HB3 CYS 35 HB3 CYS 35 0.812 1.655 -5.509 224 H GLN 36 H GLN 36 0.767 4.138 -9.394 225 HA GLN 36 HA GLN 36 -1.711 2.777 -9.884 226 HB2 GLN 36 HB2 GLN 36 -1.819 5.394 -8.901 227 HB3 GLN 36 HB3 GLN 36 -1.958 5.619 -10.633 228 HG2 GLN 36 HG2 GLN 36 -3.962 4.403 -10.779 229 HG3 GLN 36 HG3 GLN 36 -3.608 3.437 -9.360 230 HE21 GLN 36 HE21 GLN 36 -3.404 6.950 -9.776 231 HE22 GLN 36 HE22 GLN 36 -4.595 7.389 -8.598 232 H SER 37 H SER 37 0.281 1.867 -11.195 233 HA SER 37 HA SER 37 -0.071 2.825 -13.828 234 HB2 SER 37 HB2 SER 37 2.321 3.654 -12.290 235 HB3 SER 37 HB3 SER 37 2.711 2.886 -13.816 236 HG SER 37 HG SER 37 0.621 4.718 -14.058 237 H CYS 38 H CYS 38 2.677 1.194 -12.083 238 HA CYS 38 HA CYS 38 2.728 -0.922 -13.935 239 HB2 CYS 38 HB2 CYS 38 3.943 -1.059 -11.175 240 HB3 CYS 38 HB3 CYS 38 4.504 -1.804 -12.658 241 H HIS 39 H HIS 39 0.590 -0.095 -11.411 242 HA HIS 39 HA HIS 39 -0.174 -2.907 -11.090 243 HB2 HIS 39 HB2 HIS 39 -0.384 -0.601 -9.140 244 HB3 HIS 39 HB3 HIS 39 -1.212 -2.129 -8.918 245 HD1 HIS 39 HD1 HIS 39 0.666 -4.303 -9.193 246 HD2 HIS 39 HD2 HIS 39 1.980 -0.572 -7.797 247 HE1 HIS 39 HE1 HIS 39 2.852 -4.735 -7.948 248 H GLY 40 H GLY 40 -1.972 0.048 -10.133 249 HA2 GLY 40 HA2 GLY 40 -3.523 0.667 -12.208 250 HA3 GLY 40 HA3 GLY 40 -4.233 -0.860 -11.723 251 H SER 41 H SER 41 -6.220 0.222 -11.110 252 HA SER 41 HA SER 41 -5.912 1.877 -8.732 253 HB2 SER 41 HB2 SER 41 -7.121 3.214 -10.201 254 HB3 SER 41 HB3 SER 41 -7.875 1.850 -11.003 255 HG SER 41 HG SER 41 -8.638 3.202 -8.614 256 H LEU 42 H LEU 42 -7.332 1.456 -6.889 257 HA LEU 42 HA LEU 42 -7.651 -1.229 -6.301 258 HB2 LEU 42 HB2 LEU 42 -9.086 1.127 -5.069 259 HB3 LEU 42 HB3 LEU 42 -8.875 -0.458 -4.351 260 HG LEU 42 HG LEU 42 -6.382 0.956 -5.139 261 HD11 LEU 42 HD11 LEU 42 -7.847 2.764 -4.210 262 HD12 LEU 42 HD12 LEU 42 -7.913 1.848 -2.685 263 HD13 LEU 42 HD13 LEU 42 -6.355 2.463 -3.287 264 HD21 LEU 42 HD21 LEU 42 -5.475 -0.534 -3.766 265 HD22 LEU 42 HD22 LEU 42 -6.536 -0.036 -2.426 266 HD23 LEU 42 HD23 LEU 42 -7.087 -1.268 -3.587 267 H ALA 43 H ALA 43 -9.832 1.121 -7.867 268 HA ALA 43 HA ALA 43 -12.149 -0.486 -7.648 269 HB1 ALA 43 HB1 ALA 43 -12.760 1.666 -8.097 270 HB2 ALA 43 HB2 ALA 43 -11.276 2.006 -9.019 271 HB3 ALA 43 HB3 ALA 43 -12.620 1.129 -9.788 272 H GLU 44 H GLU 44 -9.234 -0.941 -9.316 273 HA GLU 44 HA GLU 44 -10.623 -2.503 -11.352 274 HB2 GLU 44 HB2 GLU 44 -7.971 -1.033 -11.393 275 HB3 GLU 44 HB3 GLU 44 -8.271 -2.350 -12.510 276 HG2 GLU 44 HG2 GLU 44 -10.102 0.076 -12.202 277 HG3 GLU 44 HG3 GLU 44 -8.858 -0.061 -13.428 278 HE2 GLU 44 HE2 GLU 44 -11.944 -0.192 -13.837 279 H MET 45 H MET 45 -9.854 -3.141 -8.449 280 HA MET 45 HA MET 45 -8.132 -5.413 -9.084 281 HB2 MET 45 HB2 MET 45 -8.508 -3.877 -6.452 282 HB3 MET 45 HB3 MET 45 -7.511 -5.309 -6.613 283 HG2 MET 45 HG2 MET 45 -6.308 -3.966 -8.545 284 HG3 MET 45 HG3 MET 45 -7.064 -2.559 -7.824 285 HE1 MET 45 HE1 MET 45 -3.674 -2.490 -7.554 286 HE2 MET 45 HE2 MET 45 -5.132 -1.470 -7.503 287 HE3 MET 45 HE3 MET 45 -4.088 -1.602 -6.067 288 H ASP 46 H ASP 46 -8.495 -7.000 -6.846 289 HA ASP 46 HA ASP 46 -10.726 -8.381 -7.404 290 HB2 ASP 46 HB2 ASP 46 -10.337 -8.617 -4.575 291 HB3 ASP 46 HB3 ASP 46 -9.788 -9.711 -5.829 292 HD2 ASP 46 HD2 ASP 46 -8.784 -8.258 -3.342 293 H ASP 47 H ASP 47 -12.527 -8.800 -5.468 294 HA ASP 47 HA ASP 47 -13.926 -6.330 -5.337 295 HB2 ASP 47 HB2 ASP 47 -14.501 -9.181 -4.453 296 HB3 ASP 47 HB3 ASP 47 -15.582 -7.878 -4.001 297 HD2 ASP 47 HD2 ASP 47 -16.633 -6.802 -5.776 298 H ASN 48 H ASN 48 -11.363 -7.385 -3.621 299 HA ASN 48 HA ASN 48 -12.481 -6.827 -1.007 300 HB2 ASN 48 HB2 ASN 48 -9.611 -7.658 -1.638 301 HB3 ASN 48 HB3 ASN 48 -10.446 -7.803 -0.104 302 HD21 ASN 48 HD21 ASN 48 -9.413 -10.015 -0.647 303 HD22 ASN 48 HD22 ASN 48 -10.462 -11.191 -1.366 304 H HIS 49 H HIS 49 -10.275 -5.665 -3.556 305 HA HIS 49 HA HIS 49 -9.175 -3.609 -1.865 306 HB2 HIS 49 HB2 HIS 49 -8.724 -4.554 -4.679 307 HB3 HIS 49 HB3 HIS 49 -8.174 -2.957 -4.213 308 HD1 HIS 49 HD1 HIS 49 -7.669 -6.621 -3.303 309 HD2 HIS 49 HD2 HIS 49 -5.825 -2.896 -2.741 310 HE1 HIS 49 HE1 HIS 49 -5.396 -7.101 -2.246 311 H LYS 50 H LYS 50 -11.652 -4.042 -4.399 312 HA LYS 50 HA LYS 50 -12.056 -1.419 -5.114 313 HB2 LYS 50 HB2 LYS 50 -13.746 -3.888 -5.041 314 HB3 LYS 50 HB3 LYS 50 -14.539 -2.354 -5.334 315 HG2 LYS 50 HG2 LYS 50 -13.425 -1.994 -7.361 316 HG3 LYS 50 HG3 LYS 50 -12.019 -2.924 -6.882 317 HD2 LYS 50 HD2 LYS 50 -13.616 -3.964 -8.660 318 HD3 LYS 50 HD3 LYS 50 -13.053 -4.999 -7.361 319 HE2 LYS 50 HE2 LYS 50 -15.150 -5.224 -6.463 320 HE3 LYS 50 HE3 LYS 50 -15.524 -3.523 -6.660 321 HZ1 LYS 50 HZ1 LYS 50 -15.869 -5.692 -8.618 322 HZ2 LYS 50 HZ2 LYS 50 -16.924 -4.526 -8.197 323 HA PRO 51 HA PRO 51 -15.588 -1.517 -1.497 324 HB2 PRO 51 HB2 PRO 51 -13.639 -3.060 0.259 325 HB3 PRO 51 HB3 PRO 51 -15.432 -3.007 0.276 326 HG2 PRO 51 HG2 PRO 51 -13.849 -4.965 -1.003 327 HG3 PRO 51 HG3 PRO 51 -15.567 -4.646 -1.409 328 HD2 PRO 51 HD2 PRO 51 -13.176 -4.171 -3.026 329 HD3 PRO 51 HD3 PRO 51 -14.878 -3.815 -3.452 330 H HIS 52 H HIS 52 -11.972 -1.545 -0.986 331 HA HIS 52 HA HIS 52 -12.205 0.714 0.764 332 HB2 HIS 52 HB2 HIS 52 -9.842 -0.809 -0.360 333 HB3 HIS 52 HB3 HIS 52 -9.676 0.579 0.697 334 HD1 HIS 52 HD1 HIS 52 -9.767 -2.990 0.839 335 HD2 HIS 52 HD2 HIS 52 -11.288 0.077 3.262 336 HE1 HIS 52 HE1 HIS 52 -10.211 -4.038 3.123 337 H ASP 53 H ASP 53 -10.965 0.023 -2.567 338 HA ASP 53 HA ASP 53 -9.805 2.049 -3.476 339 HB2 ASP 53 HB2 ASP 53 -10.950 0.418 -4.946 340 HB3 ASP 53 HB3 ASP 53 -12.498 1.170 -4.616 341 HD2 ASP 53 HD2 ASP 53 -13.110 2.315 -6.220 342 H GLY 54 H GLY 54 -9.845 4.149 -2.600 343 HA2 GLY 54 HA2 GLY 54 -10.700 6.309 -2.689 344 HA3 GLY 54 HA3 GLY 54 -12.316 5.681 -2.940 345 H LEU 55 H LEU 55 -9.736 5.107 -0.434 346 HA LEU 55 HA LEU 55 -11.329 6.341 1.586 347 HB2 LEU 55 HB2 LEU 55 -11.494 3.442 1.150 348 HB3 LEU 55 HB3 LEU 55 -11.076 3.892 2.791 349 HG LEU 55 HG LEU 55 -13.506 4.891 1.278 350 HD11 LEU 55 HD11 LEU 55 -14.737 3.450 2.967 351 HD12 LEU 55 HD12 LEU 55 -13.868 2.592 1.671 352 HD13 LEU 55 HD13 LEU 55 -13.170 2.677 3.306 353 HD21 LEU 55 HD21 LEU 55 -13.945 6.306 2.948 354 HD22 LEU 55 HD22 LEU 55 -13.496 5.120 4.197 355 HD23 LEU 55 HD23 LEU 55 -12.237 6.096 3.405 356 H LEU 56 H LEU 56 -8.830 3.714 1.264 357 HA LEU 56 HA LEU 56 -6.994 5.527 2.662 358 HB2 LEU 56 HB2 LEU 56 -6.183 3.782 4.024 359 HB3 LEU 56 HB3 LEU 56 -7.926 3.820 4.193 360 HG LEU 56 HG LEU 56 -6.702 1.916 2.224 361 HD11 LEU 56 HD11 LEU 56 -6.453 0.213 3.972 362 HD12 LEU 56 HD12 LEU 56 -5.361 1.594 4.232 363 HD13 LEU 56 HD13 LEU 56 -6.837 1.431 5.213 364 HD21 LEU 56 HD21 LEU 56 -9.240 2.414 2.647 365 HD22 LEU 56 HD22 LEU 56 -8.673 0.744 2.401 366 HD23 LEU 56 HD23 LEU 56 -9.011 1.336 4.045 367 H MET 57 H MET 57 -4.734 5.248 2.103 368 HA MET 57 HA MET 57 -4.467 4.583 -0.635 369 HB2 MET 57 HB2 MET 57 -2.737 5.684 1.589 370 HB3 MET 57 HB3 MET 57 -1.904 5.012 0.201 371 HG2 MET 57 HG2 MET 57 -2.174 7.274 -0.422 372 HG3 MET 57 HG3 MET 57 -3.521 6.503 -1.235 373 HE1 MET 57 HE1 MET 57 -3.530 9.532 2.091 374 HE2 MET 57 HE2 MET 57 -2.968 7.938 2.648 375 HE3 MET 57 HE3 MET 57 -2.161 8.737 1.278 376 H CYS 58 H CYS 58 -2.272 3.293 -1.234 377 HA CYS 58 HA CYS 58 -2.778 0.645 -0.508 378 HB2 CYS 58 HB2 CYS 58 -0.194 1.641 -1.698 379 HB3 CYS 58 HB3 CYS 58 -0.935 0.063 -1.875 380 H ALA 59 H ALA 59 0.276 2.565 0.018 381 HA ALA 59 HA ALA 59 1.537 1.017 1.781 382 HB1 ALA 59 HB1 ALA 59 1.466 3.868 2.591 383 HB2 ALA 59 HB2 ALA 59 2.842 2.850 2.105 384 HB3 ALA 59 HB3 ALA 59 1.799 3.587 0.866 385 H ASP 60 H ASP 60 -1.040 3.423 2.654 386 HA ASP 60 HA ASP 60 -1.117 3.289 5.257 387 HB2 ASP 60 HB2 ASP 60 -3.421 3.023 3.289 388 HB3 ASP 60 HB3 ASP 60 -3.725 3.152 5.010 389 HD2 ASP 60 HD2 ASP 60 -4.801 5.306 4.043 390 H CYS 61 H CYS 61 -1.906 0.638 3.000 391 HA CYS 61 HA CYS 61 -2.635 -1.054 5.271 392 HB2 CYS 61 HB2 CYS 61 -3.671 -0.814 2.569 393 HB3 CYS 61 HB3 CYS 61 -3.136 -2.454 2.878 394 H HIS 62 H HIS 62 -0.802 -1.022 2.124 395 HA HIS 62 HA HIS 62 0.769 -3.263 3.012 396 HB2 HIS 62 HB2 HIS 62 0.816 -1.605 0.477 397 HB3 HIS 62 HB3 HIS 62 1.866 -2.976 0.774 398 HD1 HIS 62 HD1 HIS 62 0.295 -5.263 1.555 399 HD2 HIS 62 HD2 HIS 62 -1.378 -2.343 -0.950 400 HE1 HIS 62 HE1 HIS 62 -1.665 -6.381 0.364 401 H ALA 63 H ALA 63 1.193 -1.488 4.940 402 HA ALA 63 HA ALA 63 2.851 0.595 4.744 403 HB1 ALA 63 HB1 ALA 63 3.195 -1.668 6.750 404 HB2 ALA 63 HB2 ALA 63 3.599 0.050 6.984 405 HB3 ALA 63 HB3 ALA 63 1.898 -0.450 6.826 406 HA PRO 64 HA PRO 64 6.117 -1.329 2.288 407 HB2 PRO 64 HB2 PRO 64 6.872 1.562 2.048 408 HB3 PRO 64 HB3 PRO 64 6.531 0.336 0.784 409 HG2 PRO 64 HG2 PRO 64 4.522 2.262 1.191 410 HG3 PRO 64 HG3 PRO 64 4.346 0.513 0.834 411 HD2 PRO 64 HD2 PRO 64 4.410 1.937 3.563 412 HD3 PRO 64 HD3 PRO 64 3.117 0.890 2.903 413 H HIS 65 H HIS 65 6.716 1.635 4.368 414 HA HIS 65 HA HIS 65 9.293 0.592 5.040 415 HB2 HIS 65 HB2 HIS 65 7.745 3.056 5.857 416 HB3 HIS 65 HB3 HIS 65 9.303 2.656 6.551 417 HD1 HIS 65 HD1 HIS 65 11.094 1.958 4.309 418 HD2 HIS 65 HD2 HIS 65 8.120 4.886 3.884 419 HE1 HIS 65 HE1 HIS 65 11.814 3.429 2.352 420 H GLU 66 H GLU 66 7.769 -1.448 5.745 421 HA GLU 66 HA GLU 66 8.234 -1.737 8.431 422 HB2 GLU 66 HB2 GLU 66 6.406 -0.179 8.860 423 HB3 GLU 66 HB3 GLU 66 5.337 -1.053 7.781 424 HG2 GLU 66 HG2 GLU 66 6.181 -3.050 9.548 425 HG3 GLU 66 HG3 GLU 66 6.069 -1.644 10.588 426 HE2 GLU 66 HE2 GLU 66 3.930 -2.169 11.543 427 H ALA 67 H ALA 67 5.554 -2.601 6.118 428 HA ALA 67 HA ALA 67 5.604 -5.328 6.836 429 HB1 ALA 67 HB1 ALA 67 4.558 -4.071 4.273 430 HB2 ALA 67 HB2 ALA 67 4.016 -5.580 5.044 431 HB3 ALA 67 HB3 ALA 67 3.686 -4.015 5.824 432 H LYS 68 H LYS 68 6.410 -7.150 5.640 433 HA LYS 68 HA LYS 68 8.611 -6.411 3.839 434 HB2 LYS 68 HB2 LYS 68 9.377 -8.830 4.679 435 HB3 LYS 68 HB3 LYS 68 9.809 -7.352 5.515 436 HG2 LYS 68 HG2 LYS 68 7.902 -7.626 7.068 437 HG3 LYS 68 HG3 LYS 68 7.351 -9.038 6.188 438 HD2 LYS 68 HD2 LYS 68 8.656 -10.310 7.536 439 HD3 LYS 68 HD3 LYS 68 10.061 -9.596 6.769 440 HE2 LYS 68 HE2 LYS 68 9.007 -7.713 8.710 441 HE3 LYS 68 HE3 LYS 68 9.180 -9.276 9.483 442 HZ1 LYS 68 HZ1 LYS 68 11.499 -9.223 8.295 443 HZ2 LYS 68 HZ2 LYS 68 11.274 -7.610 8.272 444 H VAL 69 H VAL 69 8.705 -7.364 1.826 445 HA VAL 69 HA VAL 69 6.553 -8.128 0.493 446 HB VAL 69 HB VAL 69 9.433 -8.861 0.301 447 HG11 VAL 69 HG11 VAL 69 8.778 -10.915 -0.502 448 HG12 VAL 69 HG12 VAL 69 7.210 -10.312 -1.091 449 HG13 VAL 69 HG13 VAL 69 8.699 -9.952 -1.997 450 HG21 VAL 69 HG21 VAL 69 8.803 -6.709 -0.531 451 HG22 VAL 69 HG22 VAL 69 9.118 -7.746 -1.943 452 HG23 VAL 69 HG23 VAL 69 7.443 -7.393 -1.454 453 H GLY 70 H GLY 70 5.104 -9.793 0.385 454 HA2 GLY 70 HA2 GLY 70 4.340 -11.942 0.596 455 HA3 GLY 70 HA3 GLY 70 5.820 -12.411 1.409 456 H GLU 71 H GLU 71 3.728 -9.603 2.264 457 HA GLU 71 HA GLU 71 3.065 -11.040 4.714 458 HB2 GLU 71 HB2 GLU 71 4.382 -8.425 4.333 459 HB3 GLU 71 HB3 GLU 71 2.994 -8.332 5.399 460 HG2 GLU 71 HG2 GLU 71 5.029 -10.552 5.767 461 HG3 GLU 71 HG3 GLU 71 5.366 -8.950 6.392 462 HE2 GLU 71 HE2 GLU 71 3.818 -8.159 7.982 463 H LYS 72 H LYS 72 0.894 -11.166 5.165 464 HA LYS 72 HA LYS 72 -0.857 -9.533 3.477 465 HB2 LYS 72 HB2 LYS 72 -2.223 -11.310 3.264 466 HB3 LYS 72 HB3 LYS 72 -0.791 -12.225 3.686 467 HG2 LYS 72 HG2 LYS 72 -1.466 -12.164 6.099 468 HG3 LYS 72 HG3 LYS 72 -2.902 -11.256 5.671 469 HD2 LYS 72 HD2 LYS 72 -3.909 -13.090 4.573 470 HD3 LYS 72 HD3 LYS 72 -2.378 -13.889 4.276 471 HE2 LYS 72 HE2 LYS 72 -3.646 -13.545 7.036 472 HE3 LYS 72 HE3 LYS 72 -3.737 -15.008 6.076 473 HZ1 LYS 72 HZ1 LYS 72 -1.059 -14.415 6.151 474 HZ2 LYS 72 HZ2 LYS 72 -1.555 -14.062 7.661 475 HA PRO 73 HA PRO 73 -1.328 -6.964 7.082 476 HB2 PRO 73 HB2 PRO 73 -3.617 -6.135 5.249 477 HB3 PRO 73 HB3 PRO 73 -2.492 -5.139 6.229 478 HG2 PRO 73 HG2 PRO 73 -2.078 -5.494 3.533 479 HG3 PRO 73 HG3 PRO 73 -0.715 -5.493 4.699 480 HD2 PRO 73 HD2 PRO 73 -2.167 -7.816 3.361 481 HD3 PRO 73 HD3 PRO 73 -0.423 -7.629 3.716 482 H THR 74 H THR 74 -3.032 -6.727 8.767 483 HA THR 74 HA THR 74 -5.024 -8.888 8.554 484 HB THR 74 HB THR 74 -4.798 -8.907 11.093 485 HG1 THR 74 HG1 THR 74 -2.408 -7.354 10.475 486 HG21 THR 74 HG21 THR 74 -3.301 -10.572 10.597 487 HG22 THR 74 HG22 THR 74 -2.719 -9.706 9.154 488 HG23 THR 74 HG23 THR 74 -2.035 -9.330 10.754 489 H CYS 75 H CYS 75 -7.141 -8.411 8.703 490 HA CYS 75 HA CYS 75 -7.942 -5.759 8.505 491 HB2 CYS 75 HB2 CYS 75 -9.778 -7.941 9.451 492 HB3 CYS 75 HB3 CYS 75 -10.137 -6.556 8.439 493 H ASP 76 H ASP 76 -7.215 -7.875 11.230 494 HA ASP 76 HA ASP 76 -8.772 -6.623 13.149 495 HB2 ASP 76 HB2 ASP 76 -6.036 -7.918 13.543 496 HB3 ASP 76 HB3 ASP 76 -7.266 -7.708 14.772 497 HD2 ASP 76 HD2 ASP 76 -6.423 -10.662 13.105 498 H THR 77 H THR 77 -6.138 -5.488 11.286 499 HA THR 77 HA THR 77 -5.048 -3.764 13.363 500 HB THR 77 HB THR 77 -4.347 -4.079 10.397 501 HG1 THR 77 HG1 THR 77 -4.162 -6.034 11.781 502 HG21 THR 77 HG21 THR 77 -3.351 -2.039 11.388 503 HG22 THR 77 HG22 THR 77 -2.823 -2.967 12.812 504 HG23 THR 77 HG23 THR 77 -2.093 -3.287 11.220 505 H CYS 78 H CYS 78 -7.907 -3.659 12.040 506 HA CYS 78 HA CYS 78 -7.995 -0.823 12.117 507 HB2 CYS 78 HB2 CYS 78 -8.003 -2.192 9.465 508 HB3 CYS 78 HB3 CYS 78 -9.182 -0.918 9.705 509 H HIS 79 H HIS 79 -9.650 -3.784 10.787 510 HA HIS 79 HA HIS 79 -12.144 -2.832 11.907 511 HB2 HIS 79 HB2 HIS 79 -11.529 -5.266 10.208 512 HB3 HIS 79 HB3 HIS 79 -13.129 -4.741 10.693 513 HD1 HIS 79 HD1 HIS 79 -13.513 -1.978 9.946 514 HD2 HIS 79 HD2 HIS 79 -10.951 -4.416 7.691 515 HE1 HIS 79 HE1 HIS 79 -13.294 -0.864 7.661 516 H ASP 80 H ASP 80 -13.092 -3.635 13.747 517 HA ASP 80 HA ASP 80 -11.715 -5.912 14.943 518 HB2 ASP 80 HB2 ASP 80 -12.818 -3.363 16.174 519 HB3 ASP 80 HB3 ASP 80 -12.639 -4.806 17.152 520 HD2 ASP 80 HD2 ASP 80 -9.548 -2.517 16.710 521 H ASP 81 H ASP 81 -13.992 -6.036 13.121 522 HA ASP 81 HA ASP 81 -16.125 -6.689 14.999 523 HB2 ASP 81 HB2 ASP 81 -17.660 -6.437 13.011 524 HB3 ASP 81 HB3 ASP 81 -16.860 -4.949 13.477 525 HD2 ASP 81 HD2 ASP 81 -16.548 -3.915 11.665 526 H GLY 82 H GLY 82 -13.691 -8.278 14.006 527 HA2 GLY 82 HA2 GLY 82 -13.502 -10.563 13.760 528 HA3 GLY 82 HA3 GLY 82 -15.157 -10.663 13.194 529 H ARG 83 H ARG 83 -14.354 -8.139 11.406 530 HA ARG 83 HA ARG 83 -14.331 -9.218 9.043 531 HB2 ARG 83 HB2 ARG 83 -13.486 -6.716 10.132 532 HB3 ARG 83 HB3 ARG 83 -12.220 -7.192 9.018 533 HG2 ARG 83 HG2 ARG 83 -14.080 -5.842 7.949 534 HG3 ARG 83 HG3 ARG 83 -13.781 -7.385 7.173 535 HD2 ARG 83 HD2 ARG 83 -15.922 -8.033 7.557 536 HD3 ARG 83 HD3 ARG 83 -15.707 -7.820 9.283 537 HE ARG 83 HE ARG 83 -16.640 -5.636 9.138 538 H THR 84 H THR 84 -13.058 -10.558 7.764 539 HA THR 84 HA THR 84 -10.222 -10.806 8.454 540 HB THR 84 HB THR 84 -10.603 -13.357 8.176 541 HG1 THR 84 HG1 THR 84 -12.789 -13.941 8.130 542 HG21 THR 84 HG21 THR 84 -11.153 -11.648 10.480 543 HG22 THR 84 HG22 THR 84 -12.253 -13.047 10.486 544 HG23 THR 84 HG23 THR 84 -10.491 -13.300 10.458 545 H ALA 85 H ALA 85 -8.903 -11.717 6.726 546 HA ALA 85 HA ALA 85 -9.645 -10.616 4.242 547 HB1 ALA 85 HB1 ALA 85 -7.494 -12.685 4.421 548 HB2 ALA 85 HB2 ALA 85 -7.470 -11.073 3.668 549 HB3 ALA 85 HB3 ALA 85 -7.309 -11.233 5.434 550 H LYS 86 H LYS 86 -9.946 -11.770 2.187 551 HA LYS 86 HA LYS 86 -11.327 -14.317 2.648 552 HB2 LYS 86 HB2 LYS 86 -12.338 -12.031 1.570 553 HB3 LYS 86 HB3 LYS 86 -11.774 -12.837 0.120 554 HG2 LYS 86 HG2 LYS 86 -13.305 -14.558 0.305 555 HG3 LYS 86 HG3 LYS 86 -13.221 -14.594 2.055 556 HD2 LYS 86 HD2 LYS 86 -15.271 -13.590 1.985 557 HD3 LYS 86 HD3 LYS 86 -14.379 -12.120 1.646 558 HE2 LYS 86 HE2 LYS 86 -15.104 -12.040 -0.523 559 HE3 LYS 86 HE3 LYS 86 -14.809 -13.748 -0.782 560 HZ1 LYS 86 HZ1 LYS 86 -16.968 -14.195 -0.384 561 HZ2 LYS 86 HZ2 LYS 86 -17.023 -13.312 0.983 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 10.407 -9.905 9.074 2 HA ALA 1 HA ALA 1 13.103 -9.503 8.901 3 HB1 ALA 1 HB1 ALA 1 11.213 -11.775 8.726 4 HB2 ALA 1 HB2 ALA 1 12.792 -12.067 7.958 5 HB3 ALA 1 HB3 ALA 1 12.710 -11.602 9.674 6 H ASP 2 H ASP 2 10.903 -10.675 6.249 7 HA ASP 2 HA ASP 2 12.838 -10.726 4.314 8 HB2 ASP 2 HB2 ASP 2 9.936 -10.859 4.486 9 HB3 ASP 2 HB3 ASP 2 10.381 -9.893 3.094 10 HD2 ASP 2 HD2 ASP 2 11.773 -10.904 1.608 11 H GLU 3 H GLU 3 13.322 -9.159 2.560 12 HA GLU 3 HA GLU 3 13.794 -6.636 3.379 13 HB2 GLU 3 HB2 GLU 3 14.038 -6.076 0.945 14 HB3 GLU 3 HB3 GLU 3 14.843 -7.567 1.393 15 HG2 GLU 3 HG2 GLU 3 12.170 -8.299 0.696 16 HG3 GLU 3 HG3 GLU 3 12.693 -7.160 -0.529 17 HE2 GLU 3 HE2 GLU 3 13.217 -10.455 -1.343 18 H THR 4 H THR 4 12.582 -4.827 3.772 19 HA THR 4 HA THR 4 9.861 -4.805 3.827 20 HB THR 4 HB THR 4 10.205 -2.262 3.804 21 HG1 THR 4 HG1 THR 4 12.649 -1.844 3.717 22 HG21 THR 4 HG21 THR 4 11.187 -4.161 5.691 23 HG22 THR 4 HG22 THR 4 12.514 -3.002 5.441 24 HG23 THR 4 HG23 THR 4 10.916 -2.424 5.971 25 H LEU 5 H LEU 5 8.241 -3.599 2.549 26 HA LEU 5 HA LEU 5 8.290 -4.501 -0.106 27 HB2 LEU 5 HB2 LEU 5 6.354 -3.895 1.573 28 HB3 LEU 5 HB3 LEU 5 6.470 -2.318 0.817 29 HG LEU 5 HG LEU 5 6.394 -4.070 -1.347 30 HD11 LEU 5 HD11 LEU 5 4.036 -4.957 0.198 31 HD12 LEU 5 HD12 LEU 5 5.042 -5.831 -0.983 32 HD13 LEU 5 HD13 LEU 5 5.595 -5.655 0.700 33 HD21 LEU 5 HD21 LEU 5 4.602 -2.829 -1.976 34 HD22 LEU 5 HD22 LEU 5 3.825 -2.926 -0.378 35 HD23 LEU 5 HD23 LEU 5 5.174 -1.796 -0.643 36 H ALA 6 H ALA 6 9.099 -1.383 1.464 37 HA ALA 6 HA ALA 6 9.238 0.139 -0.876 38 HB1 ALA 6 HB1 ALA 6 9.325 0.703 1.731 39 HB2 ALA 6 HB2 ALA 6 11.080 0.652 1.439 40 HB3 ALA 6 HB3 ALA 6 10.057 1.786 0.523 41 H GLU 7 H GLU 7 11.414 -2.242 0.608 42 HA GLU 7 HA GLU 7 13.678 -1.419 -0.853 43 HB2 GLU 7 HB2 GLU 7 13.567 -2.806 1.333 44 HB3 GLU 7 HB3 GLU 7 13.211 -4.187 0.315 45 HG2 GLU 7 HG2 GLU 7 15.333 -3.646 -1.012 46 HG3 GLU 7 HG3 GLU 7 15.707 -2.433 0.197 47 HE2 GLU 7 HE2 GLU 7 17.273 -4.638 -0.244 48 H PHE 8 H PHE 8 11.558 -4.372 -1.112 49 HA PHE 8 HA PHE 8 12.550 -5.483 -3.335 50 HB2 PHE 8 HB2 PHE 8 10.617 -6.335 -2.023 51 HB3 PHE 8 HB3 PHE 8 9.652 -4.941 -2.466 52 HD1 PHE 8 HD1 PHE 8 11.467 -7.783 -4.069 53 HD2 PHE 8 HD2 PHE 8 8.141 -5.151 -4.201 54 HE1 PHE 8 HE1 PHE 8 10.548 -9.043 -6.035 55 HE2 PHE 8 HE2 PHE 8 7.222 -6.411 -6.168 56 HZ PHE 8 HZ PHE 8 8.437 -8.342 -7.061 57 H HIS 9 H HIS 9 10.428 -2.581 -3.174 58 HA HIS 9 HA HIS 9 10.100 -2.458 -5.988 59 HB2 HIS 9 HB2 HIS 9 9.456 -0.680 -3.657 60 HB3 HIS 9 HB3 HIS 9 9.384 -0.021 -5.279 61 HD1 HIS 9 HD1 HIS 9 7.728 -2.586 -3.044 62 HD2 HIS 9 HD2 HIS 9 7.213 -0.877 -6.840 63 HE1 HIS 9 HE1 HIS 9 5.417 -3.310 -3.846 64 H VAL 10 H VAL 10 12.324 -1.007 -3.570 65 HA VAL 10 HA VAL 10 13.502 0.887 -5.209 66 HB VAL 10 HB VAL 10 14.339 -0.680 -2.797 67 HG11 VAL 10 HG11 VAL 10 16.386 -0.426 -4.157 68 HG12 VAL 10 HG12 VAL 10 16.109 1.331 -4.229 69 HG13 VAL 10 HG13 VAL 10 16.445 0.545 -2.667 70 HG21 VAL 10 HG21 VAL 10 13.765 1.175 -1.636 71 HG22 VAL 10 HG22 VAL 10 14.422 2.281 -2.866 72 HG23 VAL 10 HG23 VAL 10 12.814 1.551 -3.093 73 H GLU 11 H GLU 11 14.557 -2.527 -4.531 74 HA GLU 11 HA GLU 11 16.695 -2.533 -6.211 75 HB2 GLU 11 HB2 GLU 11 16.199 -4.344 -4.622 76 HB3 GLU 11 HB3 GLU 11 14.775 -4.803 -5.534 77 HG2 GLU 11 HG2 GLU 11 16.010 -5.772 -7.265 78 HG3 GLU 11 HG3 GLU 11 17.382 -4.707 -7.033 79 HE2 GLU 11 HE2 GLU 11 17.840 -8.075 -6.299 80 H MET 12 H MET 12 13.313 -2.336 -6.994 81 HA MET 12 HA MET 12 13.842 -3.233 -9.705 82 HB2 MET 12 HB2 MET 12 11.499 -3.120 -7.879 83 HB3 MET 12 HB3 MET 12 11.117 -2.535 -9.486 84 HG2 MET 12 HG2 MET 12 12.203 -4.675 -10.411 85 HG3 MET 12 HG3 MET 12 12.290 -5.260 -8.761 86 HE1 MET 12 HE1 MET 12 8.990 -3.658 -7.965 87 HE2 MET 12 HE2 MET 12 8.745 -5.368 -7.536 88 HE3 MET 12 HE3 MET 12 10.314 -4.588 -7.222 89 H GLY 13 H GLY 13 14.637 -0.559 -8.316 90 HA2 GLY 13 HA2 GLY 13 14.434 1.116 -10.509 91 HA3 GLY 13 HA3 GLY 13 13.053 1.484 -9.495 92 H GLY 14 H GLY 14 13.486 1.970 -7.128 93 HA2 GLY 14 HA2 GLY 14 15.870 2.377 -5.916 94 HA3 GLY 14 HA3 GLY 14 15.716 3.791 -6.940 95 H CYS 15 H CYS 15 15.689 4.910 -4.751 96 HA CYS 15 HA CYS 15 13.394 4.536 -3.123 97 HB2 CYS 15 HB2 CYS 15 15.517 6.688 -3.169 98 HB3 CYS 15 HB3 CYS 15 14.225 6.615 -1.987 99 H GLU 16 H GLU 16 14.079 6.100 -6.121 100 HA GLU 16 HA GLU 16 12.174 8.200 -5.744 101 HB2 GLU 16 HB2 GLU 16 13.890 7.282 -8.076 102 HB3 GLU 16 HB3 GLU 16 12.663 8.516 -8.284 103 HG2 GLU 16 HG2 GLU 16 14.153 9.193 -5.917 104 HG3 GLU 16 HG3 GLU 16 15.318 8.786 -7.162 105 HE2 GLU 16 HE2 GLU 16 14.898 12.060 -8.205 106 H ASN 17 H ASN 17 11.616 5.080 -5.759 107 HA ASN 17 HA ASN 17 9.977 4.699 -8.004 108 HB2 ASN 17 HB2 ASN 17 11.011 3.110 -5.915 109 HB3 ASN 17 HB3 ASN 17 9.284 3.085 -5.619 110 HD21 ASN 17 HD21 ASN 17 7.858 2.368 -7.255 111 HD22 ASN 17 HD22 ASN 17 8.372 1.281 -8.502 112 H CYS 18 H CYS 18 9.628 6.153 -4.801 113 HA CYS 18 HA CYS 18 6.893 6.839 -5.447 114 HB2 CYS 18 HB2 CYS 18 7.404 5.777 -2.677 115 HB3 CYS 18 HB3 CYS 18 5.881 6.001 -3.515 116 H HIS 19 H HIS 19 9.640 8.099 -5.312 117 HA HIS 19 HA HIS 19 8.871 10.272 -3.564 118 HB2 HIS 19 HB2 HIS 19 11.519 8.821 -3.303 119 HB3 HIS 19 HB3 HIS 19 11.165 10.377 -2.579 120 HD1 HIS 19 HD1 HIS 19 8.321 9.841 -1.456 121 HD2 HIS 19 HD2 HIS 19 11.537 7.170 -1.112 122 HE1 HIS 19 HE1 HIS 19 7.802 8.351 0.549 123 H ALA 20 H ALA 20 9.433 12.266 -4.416 124 HA ALA 20 HA ALA 20 10.761 12.142 -7.016 125 HB1 ALA 20 HB1 ALA 20 8.607 13.176 -7.101 126 HB2 ALA 20 HB2 ALA 20 8.940 14.155 -5.652 127 HB3 ALA 20 HB3 ALA 20 9.793 14.502 -7.176 128 H ASP 21 H ASP 21 12.878 12.675 -7.149 129 HA ASP 21 HA ASP 21 14.860 13.332 -6.514 130 HB2 ASP 21 HB2 ASP 21 13.120 15.776 -6.142 131 HB3 ASP 21 HB3 ASP 21 14.804 15.878 -5.670 132 HD2 ASP 21 HD2 ASP 21 13.539 14.413 -8.816 133 H GLY 22 H GLY 22 13.487 11.866 -4.440 134 HA2 GLY 22 HA2 GLY 22 13.574 11.401 -2.243 135 HA3 GLY 22 HA3 GLY 22 15.051 12.343 -2.203 136 H GLU 23 H GLU 23 11.488 13.010 -2.583 137 HA GLU 23 HA GLU 23 11.702 14.771 -0.304 138 HB2 GLU 23 HB2 GLU 23 11.939 15.930 -2.732 139 HB3 GLU 23 HB3 GLU 23 10.190 15.856 -2.662 140 HG2 GLU 23 HG2 GLU 23 10.347 16.940 -0.334 141 HG3 GLU 23 HG3 GLU 23 12.050 17.202 -0.654 142 HE2 GLU 23 HE2 GLU 23 9.506 18.851 -0.572 143 HA PRO 24 HA PRO 24 8.239 11.654 -0.200 144 HB2 PRO 24 HB2 PRO 24 8.627 12.585 2.662 145 HB3 PRO 24 HB3 PRO 24 8.343 10.943 1.996 146 HG2 PRO 24 HG2 PRO 24 10.838 11.774 2.752 147 HG3 PRO 24 HG3 PRO 24 10.407 10.630 1.439 148 HD2 PRO 24 HD2 PRO 24 11.368 13.495 1.313 149 HD3 PRO 24 HD3 PRO 24 11.585 12.173 0.127 150 H SER 25 H SER 25 6.254 12.498 -0.830 151 HA SER 25 HA SER 25 5.588 15.111 -0.627 152 HB2 SER 25 HB2 SER 25 4.411 12.806 -1.634 153 HB3 SER 25 HB3 SER 25 3.274 13.272 -0.384 154 HG SER 25 HG SER 25 2.534 14.720 -1.765 155 H LYS 26 H LYS 26 3.914 16.231 0.730 156 HA LYS 26 HA LYS 26 3.983 15.180 3.471 157 HB2 LYS 26 HB2 LYS 26 3.889 17.467 4.237 158 HB3 LYS 26 HB3 LYS 26 5.233 17.277 3.130 159 HG2 LYS 26 HG2 LYS 26 4.264 18.600 1.492 160 HG3 LYS 26 HG3 LYS 26 2.636 18.077 1.875 161 HD2 LYS 26 HD2 LYS 26 2.308 19.955 3.096 162 HD3 LYS 26 HD3 LYS 26 3.611 19.494 4.174 163 HE2 LYS 26 HE2 LYS 26 5.191 20.820 3.073 164 HE3 LYS 26 HE3 LYS 26 4.391 20.682 1.520 165 HZ1 LYS 26 HZ1 LYS 26 4.115 22.904 2.512 166 HZ2 LYS 26 HZ2 LYS 26 2.665 22.190 2.315 167 H ASP 27 H ASP 27 2.114 14.145 1.594 168 HA ASP 27 HA ASP 27 -0.285 15.121 2.873 169 HB2 ASP 27 HB2 ASP 27 -1.405 14.782 0.503 170 HB3 ASP 27 HB3 ASP 27 -0.615 16.299 0.882 171 HD2 ASP 27 HD2 ASP 27 0.425 15.947 -2.198 172 H GLY 28 H GLY 28 0.838 12.898 0.197 173 HA2 GLY 28 HA2 GLY 28 1.050 10.516 0.884 174 HA3 GLY 28 HA3 GLY 28 -0.553 10.679 1.574 175 H ALA 29 H ALA 29 -1.697 12.403 -0.497 176 HA ALA 29 HA ALA 29 -2.631 10.461 -2.245 177 HB1 ALA 29 HB1 ALA 29 -4.038 12.289 -1.997 178 HB2 ALA 29 HB2 ALA 29 -2.704 13.464 -2.076 179 HB3 ALA 29 HB3 ALA 29 -3.281 12.672 -3.561 180 H TYR 30 H TYR 30 -0.120 12.969 -2.600 181 HA TYR 30 HA TYR 30 0.533 12.675 -5.281 182 HB2 TYR 30 HB2 TYR 30 1.476 14.331 -3.671 183 HB3 TYR 30 HB3 TYR 30 2.461 13.040 -2.964 184 HD1 TYR 30 HD1 TYR 30 1.691 13.732 -6.564 185 HD2 TYR 30 HD2 TYR 30 4.668 13.626 -3.470 186 HE1 TYR 30 HE1 TYR 30 3.459 14.156 -8.251 187 HE2 TYR 30 HE2 TYR 30 6.437 14.050 -5.156 188 HH TYR 30 HH TYR 30 6.400 15.249 -7.686 189 H GLU 31 H GLU 31 1.694 10.667 -2.469 190 HA GLU 31 HA GLU 31 3.358 9.120 -4.101 191 HB2 GLU 31 HB2 GLU 31 2.665 9.306 -1.314 192 HB3 GLU 31 HB3 GLU 31 2.503 7.627 -1.788 193 HG2 GLU 31 HG2 GLU 31 4.762 7.514 -1.477 194 HG3 GLU 31 HG3 GLU 31 4.873 8.294 -3.042 195 HE2 GLU 31 HE2 GLU 31 4.178 9.295 0.197 196 H PHE 32 H PHE 32 0.032 8.603 -2.749 197 HA PHE 32 HA PHE 32 -0.461 6.086 -3.579 198 HB2 PHE 32 HB2 PHE 32 -2.085 7.433 -2.334 199 HB3 PHE 32 HB3 PHE 32 -2.105 8.673 -3.572 200 HD1 PHE 32 HD1 PHE 32 -2.389 5.010 -4.100 201 HD2 PHE 32 HD2 PHE 32 -4.387 8.754 -4.109 202 HE1 PHE 32 HE1 PHE 32 -4.401 3.934 -5.145 203 HE2 PHE 32 HE2 PHE 32 -6.399 7.677 -5.154 204 HZ PHE 32 HZ PHE 32 -6.382 5.280 -5.660 205 H GLU 33 H GLU 33 -0.040 8.963 -5.594 206 HA GLU 33 HA GLU 33 -1.371 7.964 -7.841 207 HB2 GLU 33 HB2 GLU 33 0.186 10.305 -7.109 208 HB3 GLU 33 HB3 GLU 33 0.699 9.737 -8.686 209 HG2 GLU 33 HG2 GLU 33 -1.265 10.353 -9.679 210 HG3 GLU 33 HG3 GLU 33 -2.237 9.679 -8.385 211 HE2 GLU 33 HE2 GLU 33 -2.451 10.950 -6.545 212 H GLN 34 H GLN 34 2.041 7.827 -6.688 213 HA GLN 34 HA GLN 34 3.178 6.813 -8.953 214 HB2 GLN 34 HB2 GLN 34 3.836 6.293 -6.023 215 HB3 GLN 34 HB3 GLN 34 4.879 5.805 -7.344 216 HG2 GLN 34 HG2 GLN 34 4.120 8.622 -6.496 217 HG3 GLN 34 HG3 GLN 34 5.724 7.930 -6.638 218 HE21 GLN 34 HE21 GLN 34 4.275 10.285 -7.861 219 HE22 GLN 34 HE22 GLN 34 4.562 10.171 -9.566 220 H CYS 35 H CYS 35 1.240 5.199 -6.417 221 HA CYS 35 HA CYS 35 1.811 2.601 -7.523 222 HB2 CYS 35 HB2 CYS 35 -0.350 2.951 -5.523 223 HB3 CYS 35 HB3 CYS 35 0.886 1.716 -5.649 224 H GLN 36 H GLN 36 0.821 4.166 -9.552 225 HA GLN 36 HA GLN 36 -1.730 2.917 -9.986 226 HB2 GLN 36 HB2 GLN 36 -1.661 5.584 -9.112 227 HB3 GLN 36 HB3 GLN 36 -1.835 5.729 -10.850 228 HG2 GLN 36 HG2 GLN 36 -3.953 4.826 -10.856 229 HG3 GLN 36 HG3 GLN 36 -3.566 3.638 -9.626 230 HE21 GLN 36 HE21 GLN 36 -3.579 7.198 -9.872 231 HE22 GLN 36 HE22 GLN 36 -4.491 7.512 -8.432 232 H SER 37 H SER 37 0.192 1.844 -11.275 233 HA SER 37 HA SER 37 -0.139 2.684 -13.940 234 HB2 SER 37 HB2 SER 37 1.614 4.307 -13.267 235 HB3 SER 37 HB3 SER 37 2.636 2.996 -12.712 236 HG SER 37 HG SER 37 1.852 2.491 -15.290 237 H CYS 38 H CYS 38 2.607 1.097 -12.153 238 HA CYS 38 HA CYS 38 2.621 -1.107 -13.884 239 HB2 CYS 38 HB2 CYS 38 3.790 -1.125 -11.098 240 HB3 CYS 38 HB3 CYS 38 4.345 -1.982 -12.522 241 H HIS 39 H HIS 39 0.509 -0.130 -11.363 242 HA HIS 39 HA HIS 39 -0.356 -2.906 -10.986 243 HB2 HIS 39 HB2 HIS 39 -0.496 -0.554 -9.084 244 HB3 HIS 39 HB3 HIS 39 -1.346 -2.064 -8.825 245 HD1 HIS 39 HD1 HIS 39 0.527 -4.264 -9.119 246 HD2 HIS 39 HD2 HIS 39 1.847 -0.541 -7.708 247 HE1 HIS 39 HE1 HIS 39 2.707 -4.706 -7.868 248 H GLY 40 H GLY 40 -2.053 0.120 -10.073 249 HA2 GLY 40 HA2 GLY 40 -3.586 0.786 -12.133 250 HA3 GLY 40 HA3 GLY 40 -4.333 -0.732 -11.676 251 H SER 41 H SER 41 -6.301 0.386 -11.064 252 HA SER 41 HA SER 41 -5.979 2.023 -8.677 253 HB2 SER 41 HB2 SER 41 -7.354 3.425 -9.803 254 HB3 SER 41 HB3 SER 41 -7.665 2.228 -11.044 255 HG SER 41 HG SER 41 -9.474 1.539 -10.015 256 H LEU 42 H LEU 42 -7.348 1.592 -6.814 257 HA LEU 42 HA LEU 42 -7.689 -1.087 -6.231 258 HB2 LEU 42 HB2 LEU 42 -9.090 1.276 -4.976 259 HB3 LEU 42 HB3 LEU 42 -8.885 -0.312 -4.264 260 HG LEU 42 HG LEU 42 -6.386 1.072 -5.078 261 HD11 LEU 42 HD11 LEU 42 -6.983 2.053 -2.481 262 HD12 LEU 42 HD12 LEU 42 -6.695 2.970 -3.979 263 HD13 LEU 42 HD13 LEU 42 -8.348 2.474 -3.543 264 HD21 LEU 42 HD21 LEU 42 -5.625 -0.634 -3.875 265 HD22 LEU 42 HD22 LEU 42 -6.247 0.196 -2.428 266 HD23 LEU 42 HD23 LEU 42 -7.252 -1.014 -3.261 267 H ALA 43 H ALA 43 -9.882 1.286 -7.750 268 HA ALA 43 HA ALA 43 -12.194 -0.336 -7.518 269 HB1 ALA 43 HB1 ALA 43 -12.066 2.184 -7.859 270 HB2 ALA 43 HB2 ALA 43 -11.626 1.850 -9.552 271 HB3 ALA 43 HB3 ALA 43 -13.206 1.325 -8.923 272 H GLU 44 H GLU 44 -9.309 -0.765 -9.219 273 HA GLU 44 HA GLU 44 -10.730 -2.337 -11.226 274 HB2 GLU 44 HB2 GLU 44 -8.885 -0.235 -11.645 275 HB3 GLU 44 HB3 GLU 44 -7.970 -1.696 -11.960 276 HG2 GLU 44 HG2 GLU 44 -10.743 -1.324 -13.146 277 HG3 GLU 44 HG3 GLU 44 -9.340 -0.619 -13.923 278 HE2 GLU 44 HE2 GLU 44 -10.546 -2.995 -15.341 279 H MET 45 H MET 45 -9.837 -3.025 -8.430 280 HA MET 45 HA MET 45 -7.890 -5.073 -9.163 281 HB2 MET 45 HB2 MET 45 -8.433 -3.641 -6.506 282 HB3 MET 45 HB3 MET 45 -7.383 -5.039 -6.628 283 HG2 MET 45 HG2 MET 45 -6.242 -3.568 -8.580 284 HG3 MET 45 HG3 MET 45 -6.955 -2.244 -7.682 285 HE1 MET 45 HE1 MET 45 -3.965 -1.437 -6.009 286 HE2 MET 45 HE2 MET 45 -3.450 -2.312 -7.471 287 HE3 MET 45 HE3 MET 45 -4.916 -1.303 -7.507 288 H ASP 46 H ASP 46 -8.100 -6.791 -6.990 289 HA ASP 46 HA ASP 46 -10.169 -8.375 -7.656 290 HB2 ASP 46 HB2 ASP 46 -9.782 -8.765 -4.859 291 HB3 ASP 46 HB3 ASP 46 -9.056 -9.672 -6.171 292 HD2 ASP 46 HD2 ASP 46 -6.530 -8.176 -3.942 293 H ASP 47 H ASP 47 -11.878 -9.089 -5.684 294 HA ASP 47 HA ASP 47 -13.553 -6.798 -5.459 295 HB2 ASP 47 HB2 ASP 47 -14.600 -8.915 -5.993 296 HB3 ASP 47 HB3 ASP 47 -13.813 -9.722 -4.651 297 HD2 ASP 47 HD2 ASP 47 -15.504 -6.674 -4.417 298 H ASN 48 H ASN 48 -10.871 -7.561 -3.816 299 HA ASN 48 HA ASN 48 -12.023 -7.284 -1.168 300 HB2 ASN 48 HB2 ASN 48 -9.099 -7.785 -1.926 301 HB3 ASN 48 HB3 ASN 48 -9.810 -7.972 -0.335 302 HD21 ASN 48 HD21 ASN 48 -8.516 -10.061 -1.116 303 HD22 ASN 48 HD22 ASN 48 -9.524 -11.358 -1.667 304 H HIS 49 H HIS 49 -10.017 -5.743 -3.678 305 HA HIS 49 HA HIS 49 -9.202 -3.626 -1.887 306 HB2 HIS 49 HB2 HIS 49 -8.578 -4.336 -4.751 307 HB3 HIS 49 HB3 HIS 49 -8.136 -2.776 -4.085 308 HD1 HIS 49 HD1 HIS 49 -7.465 -6.491 -3.561 309 HD2 HIS 49 HD2 HIS 49 -5.844 -2.763 -2.526 310 HE1 HIS 49 HE1 HIS 49 -5.208 -6.970 -2.471 311 H LYS 50 H LYS 50 -11.507 -4.301 -4.529 312 HA LYS 50 HA LYS 50 -12.214 -1.723 -5.186 313 HB2 LYS 50 HB2 LYS 50 -13.121 -3.261 -6.608 314 HB3 LYS 50 HB3 LYS 50 -13.491 -4.407 -5.336 315 HG2 LYS 50 HG2 LYS 50 -15.548 -3.457 -4.876 316 HG3 LYS 50 HG3 LYS 50 -14.988 -1.825 -5.186 317 HD2 LYS 50 HD2 LYS 50 -16.676 -2.969 -6.870 318 HD3 LYS 50 HD3 LYS 50 -15.377 -1.969 -7.490 319 HE2 LYS 50 HE2 LYS 50 -14.151 -3.797 -8.288 320 HE3 LYS 50 HE3 LYS 50 -14.789 -4.896 -7.082 321 HZ1 LYS 50 HZ1 LYS 50 -16.055 -4.024 -9.589 322 HZ2 LYS 50 HZ2 LYS 50 -15.938 -5.529 -8.978 323 HA PRO 51 HA PRO 51 -15.769 -2.572 -1.642 324 HB2 PRO 51 HB2 PRO 51 -13.478 -3.575 0.107 325 HB3 PRO 51 HB3 PRO 51 -15.240 -3.896 0.207 326 HG2 PRO 51 HG2 PRO 51 -13.453 -5.458 -1.032 327 HG3 PRO 51 HG3 PRO 51 -15.125 -5.663 -1.649 328 HD2 PRO 51 HD2 PRO 51 -12.817 -4.641 -3.062 329 HD3 PRO 51 HD3 PRO 51 -14.514 -4.636 -3.630 330 H HIS 52 H HIS 52 -12.254 -1.714 -1.148 331 HA HIS 52 HA HIS 52 -13.041 0.481 0.526 332 HB2 HIS 52 HB2 HIS 52 -10.351 -0.434 -0.523 333 HB3 HIS 52 HB3 HIS 52 -10.572 0.932 0.552 334 HD1 HIS 52 HD1 HIS 52 -9.776 -2.554 0.651 335 HD2 HIS 52 HD2 HIS 52 -12.068 0.001 3.062 336 HE1 HIS 52 HE1 HIS 52 -10.006 -3.718 2.910 337 H ASP 53 H ASP 53 -11.207 0.153 -2.602 338 HA ASP 53 HA ASP 53 -10.661 1.888 -3.945 339 HB2 ASP 53 HB2 ASP 53 -12.243 0.678 -5.235 340 HB3 ASP 53 HB3 ASP 53 -13.588 1.169 -4.224 341 HD2 ASP 53 HD2 ASP 53 -14.830 3.031 -5.406 342 H GLY 54 H GLY 54 -10.129 3.756 -2.615 343 HA2 GLY 54 HA2 GLY 54 -10.408 6.003 -2.270 344 HA3 GLY 54 HA3 GLY 54 -12.098 5.884 -2.721 345 H LEU 55 H LEU 55 -9.850 4.655 -0.134 346 HA LEU 55 HA LEU 55 -11.625 5.717 1.867 347 HB2 LEU 55 HB2 LEU 55 -11.581 2.861 1.162 348 HB3 LEU 55 HB3 LEU 55 -11.353 3.191 2.868 349 HG LEU 55 HG LEU 55 -13.715 3.930 1.134 350 HD11 LEU 55 HD11 LEU 55 -13.420 2.210 3.611 351 HD12 LEU 55 HD12 LEU 55 -14.966 2.630 2.835 352 HD13 LEU 55 HD13 LEU 55 -13.761 1.663 1.952 353 HD21 LEU 55 HD21 LEU 55 -14.447 4.737 3.634 354 HD22 LEU 55 HD22 LEU 55 -12.738 5.232 3.589 355 HD23 LEU 55 HD23 LEU 55 -13.866 5.814 2.342 356 H LEU 56 H LEU 56 -8.763 3.670 1.048 357 HA LEU 56 HA LEU 56 -7.206 5.292 2.872 358 HB2 LEU 56 HB2 LEU 56 -6.251 2.876 3.600 359 HB3 LEU 56 HB3 LEU 56 -7.396 3.826 4.527 360 HG LEU 56 HG LEU 56 -9.253 2.532 3.733 361 HD11 LEU 56 HD11 LEU 56 -8.313 0.408 2.251 362 HD12 LEU 56 HD12 LEU 56 -9.178 1.828 1.616 363 HD13 LEU 56 HD13 LEU 56 -7.399 1.787 1.594 364 HD21 LEU 56 HD21 LEU 56 -8.595 0.233 4.497 365 HD22 LEU 56 HD22 LEU 56 -6.913 0.810 4.581 366 HD23 LEU 56 HD23 LEU 56 -8.161 1.551 5.611 367 H MET 57 H MET 57 -4.885 5.108 2.456 368 HA MET 57 HA MET 57 -4.445 4.665 -0.311 369 HB2 MET 57 HB2 MET 57 -3.288 6.185 1.791 370 HB3 MET 57 HB3 MET 57 -2.040 5.027 1.374 371 HG2 MET 57 HG2 MET 57 -1.655 5.982 -0.683 372 HG3 MET 57 HG3 MET 57 -3.358 6.252 -0.992 373 HE1 MET 57 HE1 MET 57 -3.821 9.843 -0.477 374 HE2 MET 57 HE2 MET 57 -3.894 8.456 -1.591 375 HE3 MET 57 HE3 MET 57 -4.734 8.384 -0.024 376 H CYS 58 H CYS 58 -2.436 3.391 -1.073 377 HA CYS 58 HA CYS 58 -2.768 0.732 -0.425 378 HB2 CYS 58 HB2 CYS 58 -0.233 1.898 -1.572 379 HB3 CYS 58 HB3 CYS 58 -0.883 0.287 -1.804 380 H ALA 59 H ALA 59 0.228 2.714 0.194 381 HA ALA 59 HA ALA 59 1.505 1.095 1.903 382 HB1 ALA 59 HB1 ALA 59 1.791 3.680 3.012 383 HB2 ALA 59 HB2 ALA 59 2.818 2.914 1.776 384 HB3 ALA 59 HB3 ALA 59 1.442 3.931 1.284 385 H ASP 60 H ASP 60 -1.039 3.512 2.844 386 HA ASP 60 HA ASP 60 -1.108 3.306 5.444 387 HB2 ASP 60 HB2 ASP 60 -3.600 2.906 3.723 388 HB3 ASP 60 HB3 ASP 60 -3.575 3.547 5.353 389 HD2 ASP 60 HD2 ASP 60 -4.047 6.234 4.533 390 H CYS 61 H CYS 61 -1.946 0.736 3.115 391 HA CYS 61 HA CYS 61 -2.698 -1.007 5.340 392 HB2 CYS 61 HB2 CYS 61 -3.794 -0.639 2.697 393 HB3 CYS 61 HB3 CYS 61 -3.222 -2.288 2.860 394 H HIS 62 H HIS 62 -0.699 -0.665 2.343 395 HA HIS 62 HA HIS 62 0.796 -3.033 3.126 396 HB2 HIS 62 HB2 HIS 62 0.790 -1.379 0.588 397 HB3 HIS 62 HB3 HIS 62 1.860 -2.738 0.870 398 HD1 HIS 62 HD1 HIS 62 0.235 -4.995 1.789 399 HD2 HIS 62 HD2 HIS 62 -1.328 -2.189 -0.909 400 HE1 HIS 62 HE1 HIS 62 -1.707 -6.149 0.603 401 H ALA 63 H ALA 63 1.196 -1.170 5.023 402 HA ALA 63 HA ALA 63 2.877 0.885 4.767 403 HB1 ALA 63 HB1 ALA 63 3.718 -0.942 6.921 404 HB2 ALA 63 HB2 ALA 63 3.017 0.692 7.017 405 HB3 ALA 63 HB3 ALA 63 1.954 -0.723 6.826 406 HA PRO 64 HA PRO 64 6.136 -1.167 2.402 407 HB2 PRO 64 HB2 PRO 64 6.915 1.705 2.042 408 HB3 PRO 64 HB3 PRO 64 6.564 0.430 0.830 409 HG2 PRO 64 HG2 PRO 64 4.612 2.395 1.161 410 HG3 PRO 64 HG3 PRO 64 4.335 0.650 0.850 411 HD2 PRO 64 HD2 PRO 64 4.448 2.162 3.525 412 HD3 PRO 64 HD3 PRO 64 3.148 1.097 2.912 413 H HIS 65 H HIS 65 6.746 1.879 4.358 414 HA HIS 65 HA HIS 65 9.315 0.852 5.082 415 HB2 HIS 65 HB2 HIS 65 7.775 3.346 5.830 416 HB3 HIS 65 HB3 HIS 65 9.352 2.969 6.496 417 HD1 HIS 65 HD1 HIS 65 11.082 2.195 4.228 418 HD2 HIS 65 HD2 HIS 65 8.102 5.116 3.793 419 HE1 HIS 65 HE1 HIS 65 11.750 3.603 2.208 420 H GLU 66 H GLU 66 7.968 -1.189 5.895 421 HA GLU 66 HA GLU 66 8.379 -1.396 8.554 422 HB2 GLU 66 HB2 GLU 66 6.057 0.168 8.156 423 HB3 GLU 66 HB3 GLU 66 5.451 -1.418 8.591 424 HG2 GLU 66 HG2 GLU 66 6.269 -1.295 10.738 425 HG3 GLU 66 HG3 GLU 66 7.758 -0.516 10.238 426 HE2 GLU 66 HE2 GLU 66 6.381 1.266 12.388 427 H ALA 67 H ALA 67 5.789 -2.228 6.140 428 HA ALA 67 HA ALA 67 5.600 -4.912 6.994 429 HB1 ALA 67 HB1 ALA 67 4.120 -5.155 5.137 430 HB2 ALA 67 HB2 ALA 67 3.887 -3.492 5.728 431 HB3 ALA 67 HB3 ALA 67 4.864 -3.790 4.270 432 H LYS 68 H LYS 68 5.989 -6.755 5.271 433 HA LYS 68 HA LYS 68 8.505 -6.266 3.869 434 HB2 LYS 68 HB2 LYS 68 9.052 -8.707 4.808 435 HB3 LYS 68 HB3 LYS 68 9.541 -7.240 5.633 436 HG2 LYS 68 HG2 LYS 68 7.908 -7.452 7.295 437 HG3 LYS 68 HG3 LYS 68 6.797 -8.317 6.252 438 HD2 LYS 68 HD2 LYS 68 9.096 -9.984 6.447 439 HD3 LYS 68 HD3 LYS 68 8.821 -9.384 8.070 440 HE2 LYS 68 HE2 LYS 68 7.233 -11.003 8.265 441 HE3 LYS 68 HE3 LYS 68 6.234 -10.014 7.218 442 HZ1 LYS 68 HZ1 LYS 68 7.768 -12.403 6.538 443 HZ2 LYS 68 HZ2 LYS 68 6.317 -11.922 5.977 444 H VAL 69 H VAL 69 8.626 -7.267 1.884 445 HA VAL 69 HA VAL 69 6.470 -7.939 0.485 446 HB VAL 69 HB VAL 69 9.327 -8.758 0.387 447 HG11 VAL 69 HG11 VAL 69 8.217 -10.844 -0.233 448 HG12 VAL 69 HG12 VAL 69 7.209 -9.978 -1.417 449 HG13 VAL 69 HG13 VAL 69 8.969 -10.092 -1.660 450 HG21 VAL 69 HG21 VAL 69 9.140 -7.677 -1.864 451 HG22 VAL 69 HG22 VAL 69 7.431 -7.330 -1.505 452 HG23 VAL 69 HG23 VAL 69 8.716 -6.605 -0.508 453 H GLY 70 H GLY 70 4.955 -9.540 0.363 454 HA2 GLY 70 HA2 GLY 70 4.075 -11.637 0.588 455 HA3 GLY 70 HA3 GLY 70 5.535 -12.185 1.388 456 H GLU 71 H GLU 71 3.575 -9.288 2.269 457 HA GLU 71 HA GLU 71 2.953 -10.677 4.760 458 HB2 GLU 71 HB2 GLU 71 4.611 -8.834 5.045 459 HB3 GLU 71 HB3 GLU 71 3.473 -7.699 4.347 460 HG2 GLU 71 HG2 GLU 71 2.524 -7.398 6.381 461 HG3 GLU 71 HG3 GLU 71 2.059 -9.087 6.415 462 HE2 GLU 71 HE2 GLU 71 4.517 -10.149 8.424 463 H LYS 72 H LYS 72 0.802 -10.775 5.359 464 HA LYS 72 HA LYS 72 -1.051 -9.305 3.622 465 HB2 LYS 72 HB2 LYS 72 -2.120 -11.229 3.323 466 HB3 LYS 72 HB3 LYS 72 -0.864 -12.049 4.228 467 HG2 LYS 72 HG2 LYS 72 -2.065 -11.738 6.330 468 HG3 LYS 72 HG3 LYS 72 -3.228 -10.667 5.574 469 HD2 LYS 72 HD2 LYS 72 -4.523 -12.513 5.266 470 HD3 LYS 72 HD3 LYS 72 -3.413 -12.950 3.983 471 HE2 LYS 72 HE2 LYS 72 -2.019 -14.234 5.607 472 HE3 LYS 72 HE3 LYS 72 -3.098 -13.774 6.910 473 HZ1 LYS 72 HZ1 LYS 72 -4.831 -15.064 5.984 474 HZ2 LYS 72 HZ2 LYS 72 -4.120 -15.198 4.525 475 HA PRO 73 HA PRO 73 -1.449 -6.650 7.190 476 HB2 PRO 73 HB2 PRO 73 -3.745 -5.853 5.351 477 HB3 PRO 73 HB3 PRO 73 -2.623 -4.840 6.314 478 HG2 PRO 73 HG2 PRO 73 -2.115 -5.212 3.624 479 HG3 PRO 73 HG3 PRO 73 -0.782 -5.256 4.824 480 HD2 PRO 73 HD2 PRO 73 -2.319 -7.539 3.497 481 HD3 PRO 73 HD3 PRO 73 -0.564 -7.403 3.825 482 H THR 74 H THR 74 -3.113 -6.411 8.899 483 HA THR 74 HA THR 74 -5.087 -8.591 8.754 484 HB THR 74 HB THR 74 -4.900 -8.400 11.316 485 HG1 THR 74 HG1 THR 74 -3.855 -6.146 10.819 486 HG21 THR 74 HG21 THR 74 -3.139 -9.895 11.356 487 HG22 THR 74 HG22 THR 74 -3.266 -9.810 9.582 488 HG23 THR 74 HG23 THR 74 -2.076 -8.802 10.438 489 H CYS 75 H CYS 75 -7.217 -8.164 8.850 490 HA CYS 75 HA CYS 75 -8.038 -5.491 8.591 491 HB2 CYS 75 HB2 CYS 75 -9.940 -7.686 9.324 492 HB3 CYS 75 HB3 CYS 75 -10.175 -6.316 8.257 493 H ASP 76 H ASP 76 -8.023 -7.929 11.252 494 HA ASP 76 HA ASP 76 -9.575 -6.833 13.087 495 HB2 ASP 76 HB2 ASP 76 -8.311 -8.842 13.565 496 HB3 ASP 76 HB3 ASP 76 -6.781 -8.006 13.387 497 HD2 ASP 76 HD2 ASP 76 -7.065 -8.486 16.799 498 H THR 77 H THR 77 -6.538 -5.545 11.793 499 HA THR 77 HA THR 77 -5.859 -3.792 13.877 500 HB THR 77 HB THR 77 -5.358 -3.693 10.855 501 HG1 THR 77 HG1 THR 77 -4.732 -5.550 12.491 502 HG21 THR 77 HG21 THR 77 -4.434 -1.643 11.440 503 HG22 THR 77 HG22 THR 77 -4.376 -2.056 13.171 504 HG23 THR 77 HG23 THR 77 -3.124 -2.672 12.066 505 H CYS 78 H CYS 78 -8.011 -3.409 11.014 506 HA CYS 78 HA CYS 78 -8.754 -0.804 12.114 507 HB2 CYS 78 HB2 CYS 78 -8.727 -1.926 9.331 508 HB3 CYS 78 HB3 CYS 78 -9.913 -0.699 9.729 509 H HIS 79 H HIS 79 -10.084 -3.813 10.555 510 HA HIS 79 HA HIS 79 -12.663 -3.212 11.745 511 HB2 HIS 79 HB2 HIS 79 -11.919 -5.462 9.860 512 HB3 HIS 79 HB3 HIS 79 -13.533 -4.938 10.297 513 HD1 HIS 79 HD1 HIS 79 -13.588 -1.995 9.807 514 HD2 HIS 79 HD2 HIS 79 -11.454 -4.612 7.319 515 HE1 HIS 79 HE1 HIS 79 -13.306 -0.790 7.576 516 H ASP 80 H ASP 80 -12.418 -3.649 13.950 517 HA ASP 80 HA ASP 80 -11.234 -6.165 14.670 518 HB2 ASP 80 HB2 ASP 80 -11.345 -5.361 16.939 519 HB3 ASP 80 HB3 ASP 80 -10.843 -4.004 15.950 520 HD2 ASP 80 HD2 ASP 80 -13.457 -2.922 18.270 521 H ASP 81 H ASP 81 -13.731 -6.212 13.108 522 HA ASP 81 HA ASP 81 -15.651 -7.013 15.141 523 HB2 ASP 81 HB2 ASP 81 -17.292 -6.940 13.194 524 HB3 ASP 81 HB3 ASP 81 -16.602 -5.392 13.639 525 HD2 ASP 81 HD2 ASP 81 -16.864 -4.976 10.621 526 H GLY 82 H GLY 82 -13.179 -8.471 13.890 527 HA2 GLY 82 HA2 GLY 82 -12.900 -10.774 13.760 528 HA3 GLY 82 HA3 GLY 82 -14.584 -10.974 13.319 529 H ARG 83 H ARG 83 -14.109 -8.501 11.390 530 HA ARG 83 HA ARG 83 -14.160 -9.676 9.073 531 HB2 ARG 83 HB2 ARG 83 -13.464 -7.068 10.001 532 HB3 ARG 83 HB3 ARG 83 -12.235 -7.484 8.823 533 HG2 ARG 83 HG2 ARG 83 -14.263 -6.345 7.826 534 HG3 ARG 83 HG3 ARG 83 -13.893 -7.896 7.098 535 HD2 ARG 83 HD2 ARG 83 -15.947 -8.685 7.657 536 HD3 ARG 83 HD3 ARG 83 -15.633 -8.380 9.354 537 HE ARG 83 HE ARG 83 -16.775 -6.308 9.199 538 H THR 84 H THR 84 -12.866 -10.944 7.740 539 HA THR 84 HA THR 84 -9.988 -11.001 8.331 540 HB THR 84 HB THR 84 -10.241 -13.553 7.908 541 HG1 THR 84 HG1 THR 84 -12.593 -14.095 8.538 542 HG21 THR 84 HG21 THR 84 -10.208 -13.765 10.183 543 HG22 THR 84 HG22 THR 84 -10.631 -12.040 10.306 544 HG23 THR 84 HG23 THR 84 -11.916 -13.271 10.279 545 H ALA 85 H ALA 85 -8.646 -11.764 6.542 546 HA ALA 85 HA ALA 85 -9.346 -10.508 4.162 547 HB1 ALA 85 HB1 ALA 85 -7.398 -12.477 3.595 548 HB2 ALA 85 HB2 ALA 85 -7.119 -10.770 4.015 549 HB3 ALA 85 HB3 ALA 85 -7.135 -12.010 5.292 550 H LYS 86 H LYS 86 -9.610 -11.543 1.985 551 HA LYS 86 HA LYS 86 -11.039 -14.097 2.214 552 HB2 LYS 86 HB2 LYS 86 -11.886 -11.552 0.839 553 HB3 LYS 86 HB3 LYS 86 -12.470 -13.108 0.285 554 HG2 LYS 86 HG2 LYS 86 -12.614 -12.561 3.242 555 HG3 LYS 86 HG3 LYS 86 -13.734 -11.690 2.213 556 HD2 LYS 86 HD2 LYS 86 -15.023 -13.537 1.933 557 HD3 LYS 86 HD3 LYS 86 -13.650 -14.482 1.393 558 HE2 LYS 86 HE2 LYS 86 -13.017 -14.559 3.965 559 HE3 LYS 86 HE3 LYS 86 -14.692 -14.113 4.218 560 HZ1 LYS 86 HZ1 LYS 86 -15.387 -16.076 3.022 561 HZ2 LYS 86 HZ2 LYS 86 -13.864 -16.450 2.581 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 10.888 -11.569 8.188 2 HA ALA 1 HA ALA 1 13.334 -11.019 8.453 3 HB1 ALA 1 HB1 ALA 1 14.219 -13.566 7.459 4 HB2 ALA 1 HB2 ALA 1 14.682 -12.739 8.965 5 HB3 ALA 1 HB3 ALA 1 13.279 -13.834 8.947 6 H ASP 2 H ASP 2 11.484 -10.179 6.756 7 HA ASP 2 HA ASP 2 12.479 -11.101 4.175 8 HB2 ASP 2 HB2 ASP 2 9.690 -10.007 4.770 9 HB3 ASP 2 HB3 ASP 2 10.254 -10.602 3.221 10 HD2 ASP 2 HD2 ASP 2 10.925 -12.950 3.345 11 H GLU 3 H GLU 3 12.775 -9.367 2.579 12 HA GLU 3 HA GLU 3 13.512 -6.931 3.715 13 HB2 GLU 3 HB2 GLU 3 14.023 -6.250 1.418 14 HB3 GLU 3 HB3 GLU 3 14.550 -7.902 1.671 15 HG2 GLU 3 HG2 GLU 3 11.907 -8.222 0.799 16 HG3 GLU 3 HG3 GLU 3 12.464 -6.855 -0.145 17 HE2 GLU 3 HE2 GLU 3 13.750 -10.519 -0.177 18 H THR 4 H THR 4 12.538 -4.855 3.652 19 HA THR 4 HA THR 4 9.764 -4.778 3.844 20 HB THR 4 HB THR 4 10.213 -2.261 3.750 21 HG1 THR 4 HG1 THR 4 12.120 -1.786 2.738 22 HG21 THR 4 HG21 THR 4 12.344 -3.745 5.364 23 HG22 THR 4 HG22 THR 4 11.617 -2.163 5.733 24 HG23 THR 4 HG23 THR 4 10.644 -3.646 5.881 25 H LEU 5 H LEU 5 8.249 -3.430 2.510 26 HA LEU 5 HA LEU 5 8.297 -4.448 -0.134 27 HB2 LEU 5 HB2 LEU 5 6.341 -3.816 1.518 28 HB3 LEU 5 HB3 LEU 5 6.469 -2.252 0.739 29 HG LEU 5 HG LEU 5 6.408 -3.980 -1.417 30 HD11 LEU 5 HD11 LEU 5 4.149 -4.988 0.247 31 HD12 LEU 5 HD12 LEU 5 5.019 -5.755 -1.103 32 HD13 LEU 5 HD13 LEU 5 5.762 -5.693 0.513 33 HD21 LEU 5 HD21 LEU 5 3.840 -2.894 -0.323 34 HD22 LEU 5 HD22 LEU 5 5.145 -1.769 -0.772 35 HD23 LEU 5 HD23 LEU 5 4.473 -2.884 -1.987 36 H ALA 6 H ALA 6 8.893 -1.227 1.377 37 HA ALA 6 HA ALA 6 9.155 0.203 -0.993 38 HB1 ALA 6 HB1 ALA 6 10.531 0.598 1.696 39 HB2 ALA 6 HB2 ALA 6 10.348 1.831 0.425 40 HB3 ALA 6 HB3 ALA 6 8.911 1.192 1.260 41 H GLU 7 H GLU 7 11.343 -2.022 0.718 42 HA GLU 7 HA GLU 7 13.639 -1.189 -0.685 43 HB2 GLU 7 HB2 GLU 7 13.754 -2.322 1.511 44 HB3 GLU 7 HB3 GLU 7 13.042 -3.770 0.827 45 HG2 GLU 7 HG2 GLU 7 14.998 -3.914 -0.781 46 HG3 GLU 7 HG3 GLU 7 15.723 -2.540 0.031 47 HE2 GLU 7 HE2 GLU 7 16.945 -5.693 1.456 48 H PHE 8 H PHE 8 11.292 -3.925 -1.026 49 HA PHE 8 HA PHE 8 12.550 -5.218 -3.116 50 HB2 PHE 8 HB2 PHE 8 10.605 -6.063 -1.784 51 HB3 PHE 8 HB3 PHE 8 9.597 -4.762 -2.386 52 HD1 PHE 8 HD1 PHE 8 11.599 -7.659 -3.615 53 HD2 PHE 8 HD2 PHE 8 8.229 -5.151 -4.215 54 HE1 PHE 8 HE1 PHE 8 10.852 -9.118 -5.516 55 HE2 PHE 8 HE2 PHE 8 7.482 -6.610 -6.116 56 HZ PHE 8 HZ PHE 8 8.802 -8.576 -6.743 57 H HIS 9 H HIS 9 10.529 -2.280 -3.068 58 HA HIS 9 HA HIS 9 10.196 -2.303 -5.913 59 HB2 HIS 9 HB2 HIS 9 9.403 -0.488 -3.658 60 HB3 HIS 9 HB3 HIS 9 9.365 0.123 -5.300 61 HD1 HIS 9 HD1 HIS 9 7.700 -2.391 -3.028 62 HD2 HIS 9 HD2 HIS 9 7.311 -0.909 -6.933 63 HE1 HIS 9 HE1 HIS 9 5.455 -3.239 -3.895 64 H VAL 10 H VAL 10 12.610 -1.306 -3.617 65 HA VAL 10 HA VAL 10 13.691 0.793 -5.230 66 HB VAL 10 HB VAL 10 14.477 -0.671 -2.733 67 HG11 VAL 10 HG11 VAL 10 16.287 0.739 -4.594 68 HG12 VAL 10 HG12 VAL 10 16.384 1.281 -2.901 69 HG13 VAL 10 HG13 VAL 10 16.647 -0.433 -3.304 70 HG21 VAL 10 HG21 VAL 10 13.968 1.286 -1.636 71 HG22 VAL 10 HG22 VAL 10 14.364 2.308 -3.038 72 HG23 VAL 10 HG23 VAL 10 12.838 1.392 -3.007 73 H GLU 11 H GLU 11 14.642 -2.617 -4.422 74 HA GLU 11 HA GLU 11 16.891 -2.733 -5.923 75 HB2 GLU 11 HB2 GLU 11 16.053 -4.514 -4.382 76 HB3 GLU 11 HB3 GLU 11 14.822 -4.945 -5.552 77 HG2 GLU 11 HG2 GLU 11 17.208 -4.957 -7.053 78 HG3 GLU 11 HG3 GLU 11 17.682 -5.643 -5.512 79 HE2 GLU 11 HE2 GLU 11 17.146 -7.770 -5.277 80 H MET 12 H MET 12 13.521 -2.632 -6.980 81 HA MET 12 HA MET 12 14.334 -3.357 -9.667 82 HB2 MET 12 HB2 MET 12 11.980 -3.698 -10.081 83 HB3 MET 12 HB3 MET 12 12.233 -4.302 -8.456 84 HG2 MET 12 HG2 MET 12 11.364 -2.231 -7.474 85 HG3 MET 12 HG3 MET 12 11.309 -1.450 -9.042 86 HE1 MET 12 HE1 MET 12 8.698 -5.075 -7.877 87 HE2 MET 12 HE2 MET 12 10.459 -5.151 -8.123 88 HE3 MET 12 HE3 MET 12 9.792 -4.240 -6.748 89 H GLY 13 H GLY 13 14.863 -0.706 -8.099 90 HA2 GLY 13 HA2 GLY 13 14.696 1.037 -10.283 91 HA3 GLY 13 HA3 GLY 13 13.312 1.339 -9.251 92 H GLY 14 H GLY 14 13.613 2.109 -7.065 93 HA2 GLY 14 HA2 GLY 14 16.007 2.384 -5.724 94 HA3 GLY 14 HA3 GLY 14 15.890 3.794 -6.758 95 H CYS 15 H CYS 15 15.801 4.956 -4.609 96 HA CYS 15 HA CYS 15 13.453 4.598 -3.038 97 HB2 CYS 15 HB2 CYS 15 15.606 6.721 -3.011 98 HB3 CYS 15 HB3 CYS 15 14.278 6.658 -1.870 99 H GLU 16 H GLU 16 14.299 6.194 -5.992 100 HA GLU 16 HA GLU 16 12.370 8.286 -5.676 101 HB2 GLU 16 HB2 GLU 16 14.058 7.427 -8.068 102 HB3 GLU 16 HB3 GLU 16 13.028 8.845 -8.045 103 HG2 GLU 16 HG2 GLU 16 15.045 9.816 -7.408 104 HG3 GLU 16 HG3 GLU 16 14.390 9.435 -5.828 105 HE2 GLU 16 HE2 GLU 16 16.168 8.900 -4.772 106 H ASN 17 H ASN 17 11.792 5.190 -5.759 107 HA ASN 17 HA ASN 17 10.313 4.833 -8.120 108 HB2 ASN 17 HB2 ASN 17 11.270 3.161 -6.155 109 HB3 ASN 17 HB3 ASN 17 9.588 3.253 -5.670 110 HD21 ASN 17 HD21 ASN 17 7.942 2.798 -7.278 111 HD22 ASN 17 HD22 ASN 17 8.240 1.627 -8.519 112 H CYS 18 H CYS 18 9.753 6.249 -4.929 113 HA CYS 18 HA CYS 18 7.069 6.951 -5.750 114 HB2 CYS 18 HB2 CYS 18 7.328 5.934 -2.944 115 HB3 CYS 18 HB3 CYS 18 5.912 6.038 -3.971 116 H HIS 19 H HIS 19 9.857 8.148 -5.352 117 HA HIS 19 HA HIS 19 8.965 10.312 -3.632 118 HB2 HIS 19 HB2 HIS 19 11.601 8.856 -3.298 119 HB3 HIS 19 HB3 HIS 19 11.230 10.404 -2.566 120 HD1 HIS 19 HD1 HIS 19 8.307 9.817 -1.608 121 HD2 HIS 19 HD2 HIS 19 11.567 7.231 -1.077 122 HE1 HIS 19 HE1 HIS 19 7.716 8.318 0.371 123 H ALA 20 H ALA 20 9.426 12.299 -4.505 124 HA ALA 20 HA ALA 20 10.859 12.259 -7.035 125 HB1 ALA 20 HB1 ALA 20 9.888 14.851 -6.434 126 HB2 ALA 20 HB2 ALA 20 9.183 13.662 -7.556 127 HB3 ALA 20 HB3 ALA 20 8.644 13.715 -5.860 128 H ASP 21 H ASP 21 12.998 12.708 -7.094 129 HA ASP 21 HA ASP 21 14.983 13.273 -6.368 130 HB2 ASP 21 HB2 ASP 21 13.344 15.807 -6.108 131 HB3 ASP 21 HB3 ASP 21 15.032 15.835 -5.638 132 HD2 ASP 21 HD2 ASP 21 13.444 16.948 -7.924 133 H GLY 22 H GLY 22 13.472 11.930 -4.312 134 HA2 GLY 22 HA2 GLY 22 13.488 11.514 -2.105 135 HA3 GLY 22 HA3 GLY 22 14.954 12.470 -2.018 136 H GLU 23 H GLU 23 11.400 13.062 -2.562 137 HA GLU 23 HA GLU 23 11.493 14.908 -0.346 138 HB2 GLU 23 HB2 GLU 23 11.946 16.223 -2.465 139 HB3 GLU 23 HB3 GLU 23 10.372 15.732 -3.059 140 HG2 GLU 23 HG2 GLU 23 9.247 16.848 -1.181 141 HG3 GLU 23 HG3 GLU 23 10.782 17.201 -0.414 142 HE2 GLU 23 HE2 GLU 23 11.560 19.712 -2.818 143 HA PRO 24 HA PRO 24 8.077 11.677 -0.445 144 HB2 PRO 24 HB2 PRO 24 8.419 12.498 2.458 145 HB3 PRO 24 HB3 PRO 24 8.140 10.884 1.726 146 HG2 PRO 24 HG2 PRO 24 10.639 11.727 2.553 147 HG3 PRO 24 HG3 PRO 24 10.200 10.594 1.233 148 HD2 PRO 24 HD2 PRO 24 11.233 13.426 1.123 149 HD3 PRO 24 HD3 PRO 24 11.374 12.120 -0.092 150 H SER 25 H SER 25 6.040 12.459 -0.975 151 HA SER 25 HA SER 25 5.347 15.059 -0.800 152 HB2 SER 25 HB2 SER 25 4.165 12.751 -1.735 153 HB3 SER 25 HB3 SER 25 3.089 13.156 -0.412 154 HG SER 25 HG SER 25 3.845 14.922 -2.584 155 H LYS 26 H LYS 26 3.531 16.085 0.563 156 HA LYS 26 HA LYS 26 3.811 15.167 3.340 157 HB2 LYS 26 HB2 LYS 26 3.667 17.466 4.042 158 HB3 LYS 26 HB3 LYS 26 4.956 17.306 2.866 159 HG2 LYS 26 HG2 LYS 26 3.167 17.983 1.085 160 HG3 LYS 26 HG3 LYS 26 2.182 18.483 2.445 161 HD2 LYS 26 HD2 LYS 26 3.928 20.050 3.202 162 HD3 LYS 26 HD3 LYS 26 5.030 19.476 1.965 163 HE2 LYS 26 HE2 LYS 26 3.066 20.163 0.300 164 HE3 LYS 26 HE3 LYS 26 2.530 21.156 1.641 165 HZ1 LYS 26 HZ1 LYS 26 4.703 22.233 1.664 166 HZ2 LYS 26 HZ2 LYS 26 5.264 21.267 0.479 167 H ASP 27 H ASP 27 1.907 14.045 1.502 168 HA ASP 27 HA ASP 27 -0.464 14.863 2.919 169 HB2 ASP 27 HB2 ASP 27 -1.696 14.627 0.598 170 HB3 ASP 27 HB3 ASP 27 -0.938 16.148 1.023 171 HD2 ASP 27 HD2 ASP 27 -0.940 16.363 -1.390 172 H GLY 28 H GLY 28 0.624 12.856 0.064 173 HA2 GLY 28 HA2 GLY 28 0.959 10.445 0.617 174 HA3 GLY 28 HA3 GLY 28 -0.633 10.504 1.346 175 H ALA 29 H ALA 29 -1.878 12.306 -0.604 176 HA ALA 29 HA ALA 29 -2.838 10.463 -2.414 177 HB1 ALA 29 HB1 ALA 29 -2.923 13.410 -2.016 178 HB2 ALA 29 HB2 ALA 29 -3.311 12.840 -3.657 179 HB3 ALA 29 HB3 ALA 29 -4.249 12.249 -2.265 180 H TYR 30 H TYR 30 -0.142 12.753 -2.612 181 HA TYR 30 HA TYR 30 0.438 12.540 -5.360 182 HB2 TYR 30 HB2 TYR 30 1.408 14.169 -3.728 183 HB3 TYR 30 HB3 TYR 30 2.386 12.855 -3.053 184 HD1 TYR 30 HD1 TYR 30 1.574 13.669 -6.623 185 HD2 TYR 30 HD2 TYR 30 4.599 13.368 -3.587 186 HE1 TYR 30 HE1 TYR 30 3.326 14.099 -8.325 187 HE2 TYR 30 HE2 TYR 30 6.350 13.797 -5.290 188 HH TYR 30 HH TYR 30 5.798 13.691 -8.651 189 H GLU 31 H GLU 31 1.558 10.500 -2.556 190 HA GLU 31 HA GLU 31 3.208 8.935 -4.179 191 HB2 GLU 31 HB2 GLU 31 2.041 8.664 -1.405 192 HB3 GLU 31 HB3 GLU 31 2.848 7.285 -2.125 193 HG2 GLU 31 HG2 GLU 31 4.885 8.185 -1.695 194 HG3 GLU 31 HG3 GLU 31 4.475 9.641 -2.581 195 HE2 GLU 31 HE2 GLU 31 2.899 10.900 0.476 196 H PHE 32 H PHE 32 -0.157 8.491 -2.908 197 HA PHE 32 HA PHE 32 -0.685 5.983 -3.757 198 HB2 PHE 32 HB2 PHE 32 -2.299 7.372 -2.536 199 HB3 PHE 32 HB3 PHE 32 -2.277 8.604 -3.782 200 HD1 PHE 32 HD1 PHE 32 -2.570 4.969 -4.404 201 HD2 PHE 32 HD2 PHE 32 -4.594 8.696 -4.246 202 HE1 PHE 32 HE1 PHE 32 -4.584 3.921 -5.476 203 HE2 PHE 32 HE2 PHE 32 -6.607 7.648 -5.318 204 HZ PHE 32 HZ PHE 32 -6.578 5.274 -5.920 205 H GLU 33 H GLU 33 -0.160 8.862 -5.746 206 HA GLU 33 HA GLU 33 -1.450 7.860 -8.029 207 HB2 GLU 33 HB2 GLU 33 0.065 10.225 -7.254 208 HB3 GLU 33 HB3 GLU 33 0.580 9.680 -8.838 209 HG2 GLU 33 HG2 GLU 33 -2.225 9.435 -8.929 210 HG3 GLU 33 HG3 GLU 33 -1.969 10.914 -8.026 211 HE2 GLU 33 HE2 GLU 33 -1.645 11.075 -11.858 212 H GLN 34 H GLN 34 1.918 7.755 -6.766 213 HA GLN 34 HA GLN 34 3.138 6.788 -9.019 214 HB2 GLN 34 HB2 GLN 34 3.739 6.280 -6.074 215 HB3 GLN 34 HB3 GLN 34 4.823 5.815 -7.371 216 HG2 GLN 34 HG2 GLN 34 3.971 8.619 -6.560 217 HG3 GLN 34 HG3 GLN 34 5.594 7.961 -6.625 218 HE21 GLN 34 HE21 GLN 34 4.273 10.303 -7.910 219 HE22 GLN 34 HE22 GLN 34 4.595 10.172 -9.607 220 H CYS 35 H CYS 35 1.147 5.141 -6.554 221 HA CYS 35 HA CYS 35 1.809 2.553 -7.640 222 HB2 CYS 35 HB2 CYS 35 -0.400 2.885 -5.679 223 HB3 CYS 35 HB3 CYS 35 0.827 1.639 -5.799 224 H GLN 36 H GLN 36 0.821 4.144 -9.671 225 HA GLN 36 HA GLN 36 -1.695 2.836 -10.170 226 HB2 GLN 36 HB2 GLN 36 -1.561 5.605 -9.421 227 HB3 GLN 36 HB3 GLN 36 -1.964 5.550 -11.126 228 HG2 GLN 36 HG2 GLN 36 -3.977 4.402 -10.765 229 HG3 GLN 36 HG3 GLN 36 -3.412 3.650 -9.286 230 HE21 GLN 36 HE21 GLN 36 -2.536 5.610 -7.736 231 HE22 GLN 36 HE22 GLN 36 -3.770 6.761 -7.350 232 H SER 37 H SER 37 0.290 1.794 -11.403 233 HA SER 37 HA SER 37 0.008 2.633 -14.081 234 HB2 SER 37 HB2 SER 37 2.395 3.490 -12.551 235 HB3 SER 37 HB3 SER 37 2.791 2.635 -14.028 236 HG SER 37 HG SER 37 1.502 4.140 -15.228 237 H CYS 38 H CYS 38 2.708 1.039 -12.231 238 HA CYS 38 HA CYS 38 2.726 -1.172 -13.970 239 HB2 CYS 38 HB2 CYS 38 3.924 -1.186 -11.198 240 HB3 CYS 38 HB3 CYS 38 4.475 -2.023 -12.635 241 H HIS 39 H HIS 39 0.599 -0.173 -11.494 242 HA HIS 39 HA HIS 39 -0.247 -2.947 -11.068 243 HB2 HIS 39 HB2 HIS 39 -0.343 -0.586 -9.175 244 HB3 HIS 39 HB3 HIS 39 -1.225 -2.076 -8.903 245 HD1 HIS 39 HD1 HIS 39 0.561 -4.327 -9.139 246 HD2 HIS 39 HD2 HIS 39 2.044 -0.613 -7.873 247 HE1 HIS 39 HE1 HIS 39 2.748 -4.809 -7.915 248 H GLY 40 H GLY 40 -1.928 0.087 -10.153 249 HA2 GLY 40 HA2 GLY 40 -3.481 0.731 -12.213 250 HA3 GLY 40 HA3 GLY 40 -4.233 -0.770 -11.712 251 H SER 41 H SER 41 -6.184 0.260 -11.016 252 HA SER 41 HA SER 41 -5.805 1.942 -8.663 253 HB2 SER 41 HB2 SER 41 -7.165 3.413 -9.705 254 HB3 SER 41 HB3 SER 41 -7.409 2.302 -11.038 255 HG SER 41 HG SER 41 -9.252 1.502 -10.116 256 H LEU 42 H LEU 42 -7.350 1.612 -6.864 257 HA LEU 42 HA LEU 42 -7.740 -1.077 -6.275 258 HB2 LEU 42 HB2 LEU 42 -9.129 1.309 -5.050 259 HB3 LEU 42 HB3 LEU 42 -8.935 -0.278 -4.332 260 HG LEU 42 HG LEU 42 -6.428 1.114 -5.115 261 HD11 LEU 42 HD11 LEU 42 -8.058 2.851 -4.093 262 HD12 LEU 42 HD12 LEU 42 -7.760 1.988 -2.565 263 HD13 LEU 42 HD13 LEU 42 -6.403 2.727 -3.448 264 HD21 LEU 42 HD21 LEU 42 -5.665 -0.591 -3.914 265 HD22 LEU 42 HD22 LEU 42 -6.321 0.214 -2.468 266 HD23 LEU 42 HD23 LEU 42 -7.298 -0.996 -3.333 267 H ALA 43 H ALA 43 -9.696 1.263 -8.055 268 HA ALA 43 HA ALA 43 -12.120 -0.226 -7.814 269 HB1 ALA 43 HB1 ALA 43 -12.942 1.715 -8.588 270 HB2 ALA 43 HB2 ALA 43 -11.279 2.336 -8.714 271 HB3 ALA 43 HB3 ALA 43 -12.035 1.528 -10.108 272 H GLU 44 H GLU 44 -9.204 -0.927 -9.282 273 HA GLU 44 HA GLU 44 -10.590 -2.440 -11.357 274 HB2 GLU 44 HB2 GLU 44 -8.519 -0.499 -11.665 275 HB3 GLU 44 HB3 GLU 44 -7.781 -2.057 -11.981 276 HG2 GLU 44 HG2 GLU 44 -9.413 -2.585 -13.701 277 HG3 GLU 44 HG3 GLU 44 -10.425 -1.227 -13.250 278 HE2 GLU 44 HE2 GLU 44 -8.052 -0.603 -16.104 279 H MET 45 H MET 45 -9.950 -3.116 -8.500 280 HA MET 45 HA MET 45 -8.150 -5.343 -9.069 281 HB2 MET 45 HB2 MET 45 -8.588 -3.784 -6.461 282 HB3 MET 45 HB3 MET 45 -7.587 -5.217 -6.581 283 HG2 MET 45 HG2 MET 45 -6.387 -3.855 -8.540 284 HG3 MET 45 HG3 MET 45 -7.102 -2.465 -7.749 285 HE1 MET 45 HE1 MET 45 -3.772 -2.212 -7.355 286 HE2 MET 45 HE2 MET 45 -5.321 -1.339 -7.272 287 HE3 MET 45 HE3 MET 45 -4.323 -1.524 -5.809 288 H ASP 46 H ASP 46 -8.544 -6.905 -6.807 289 HA ASP 46 HA ASP 46 -10.765 -8.304 -7.409 290 HB2 ASP 46 HB2 ASP 46 -10.435 -8.616 -4.605 291 HB3 ASP 46 HB3 ASP 46 -9.762 -9.627 -5.868 292 HD2 ASP 46 HD2 ASP 46 -7.565 -8.876 -6.619 293 H ASP 47 H ASP 47 -12.534 -8.738 -5.405 294 HA ASP 47 HA ASP 47 -13.966 -6.279 -5.306 295 HB2 ASP 47 HB2 ASP 47 -14.785 -8.821 -5.562 296 HB3 ASP 47 HB3 ASP 47 -14.809 -8.767 -3.811 297 HD2 ASP 47 HD2 ASP 47 -17.498 -7.725 -3.332 298 H ASN 48 H ASN 48 -11.377 -7.253 -3.608 299 HA ASN 48 HA ASN 48 -12.489 -6.699 -0.988 300 HB2 ASN 48 HB2 ASN 48 -9.647 -7.579 -1.709 301 HB3 ASN 48 HB3 ASN 48 -10.359 -7.578 -0.108 302 HD21 ASN 48 HD21 ASN 48 -9.282 -9.846 -0.888 303 HD22 ASN 48 HD22 ASN 48 -10.455 -11.050 -1.304 304 H HIS 49 H HIS 49 -10.293 -5.551 -3.555 305 HA HIS 49 HA HIS 49 -9.222 -3.457 -1.888 306 HB2 HIS 49 HB2 HIS 49 -8.738 -4.438 -4.687 307 HB3 HIS 49 HB3 HIS 49 -8.195 -2.836 -4.226 308 HD1 HIS 49 HD1 HIS 49 -7.700 -6.493 -3.276 309 HD2 HIS 49 HD2 HIS 49 -5.860 -2.762 -2.734 310 HE1 HIS 49 HE1 HIS 49 -5.438 -6.962 -2.191 311 H LYS 50 H LYS 50 -11.648 -3.952 -4.467 312 HA LYS 50 HA LYS 50 -12.074 -1.349 -5.221 313 HB2 LYS 50 HB2 LYS 50 -13.770 -3.819 -5.107 314 HB3 LYS 50 HB3 LYS 50 -14.535 -2.289 -5.487 315 HG2 LYS 50 HG2 LYS 50 -12.514 -2.013 -7.191 316 HG3 LYS 50 HG3 LYS 50 -12.369 -3.751 -7.019 317 HD2 LYS 50 HD2 LYS 50 -15.003 -2.380 -7.720 318 HD3 LYS 50 HD3 LYS 50 -13.870 -2.932 -8.938 319 HE2 LYS 50 HE2 LYS 50 -13.997 -5.239 -7.628 320 HE3 LYS 50 HE3 LYS 50 -15.484 -4.583 -6.973 321 HZ1 LYS 50 HZ1 LYS 50 -15.944 -5.800 -9.003 322 HZ2 LYS 50 HZ2 LYS 50 -16.243 -4.226 -9.290 323 HA PRO 51 HA PRO 51 -15.672 -1.382 -1.680 324 HB2 PRO 51 HB2 PRO 51 -13.809 -2.931 0.154 325 HB3 PRO 51 HB3 PRO 51 -15.601 -2.884 0.081 326 HG2 PRO 51 HG2 PRO 51 -13.925 -4.806 -1.092 327 HG3 PRO 51 HG3 PRO 51 -15.642 -4.579 -1.563 328 HD2 PRO 51 HD2 PRO 51 -13.255 -4.075 -3.142 329 HD3 PRO 51 HD3 PRO 51 -14.948 -3.708 -3.589 330 H HIS 52 H HIS 52 -12.089 -1.524 -0.941 331 HA HIS 52 HA HIS 52 -12.308 0.731 0.774 332 HB2 HIS 52 HB2 HIS 52 -9.942 -0.748 -0.401 333 HB3 HIS 52 HB3 HIS 52 -9.782 0.603 0.704 334 HD1 HIS 52 HD1 HIS 52 -9.708 -2.928 0.772 335 HD2 HIS 52 HD2 HIS 52 -11.539 -0.038 3.199 336 HE1 HIS 52 HE1 HIS 52 -10.187 -4.068 3.005 337 H ASP 53 H ASP 53 -11.032 0.137 -2.565 338 HA ASP 53 HA ASP 53 -9.893 2.171 -3.438 339 HB2 ASP 53 HB2 ASP 53 -11.104 0.583 -4.924 340 HB3 ASP 53 HB3 ASP 53 -12.619 1.393 -4.577 341 HD2 ASP 53 HD2 ASP 53 -9.573 2.519 -6.584 342 H GLY 54 H GLY 54 -9.887 4.268 -2.574 343 HA2 GLY 54 HA2 GLY 54 -10.698 6.428 -2.528 344 HA3 GLY 54 HA3 GLY 54 -12.323 5.849 -2.840 345 H LEU 55 H LEU 55 -9.824 5.078 -0.305 346 HA LEU 55 HA LEU 55 -11.475 6.251 1.726 347 HB2 LEU 55 HB2 LEU 55 -11.398 3.310 1.283 348 HB3 LEU 55 HB3 LEU 55 -11.309 3.882 2.937 349 HG LEU 55 HG LEU 55 -13.528 4.430 0.949 350 HD11 LEU 55 HD11 LEU 55 -13.176 2.535 3.228 351 HD12 LEU 55 HD12 LEU 55 -14.784 3.250 2.963 352 HD13 LEU 55 HD13 LEU 55 -14.000 2.316 1.666 353 HD21 LEU 55 HD21 LEU 55 -12.744 5.884 3.345 354 HD22 LEU 55 HD22 LEU 55 -13.942 6.292 2.093 355 HD23 LEU 55 HD23 LEU 55 -14.402 5.244 3.457 356 H LEU 56 H LEU 56 -8.927 3.671 1.425 357 HA LEU 56 HA LEU 56 -7.158 5.490 2.901 358 HB2 LEU 56 HB2 LEU 56 -6.444 3.833 4.331 359 HB3 LEU 56 HB3 LEU 56 -8.178 3.592 4.260 360 HG LEU 56 HG LEU 56 -6.598 2.003 2.320 361 HD11 LEU 56 HD11 LEU 56 -6.377 0.364 4.487 362 HD12 LEU 56 HD12 LEU 56 -5.061 1.363 3.824 363 HD13 LEU 56 HD13 LEU 56 -6.014 1.951 5.207 364 HD21 LEU 56 HD21 LEU 56 -8.400 0.540 4.040 365 HD22 LEU 56 HD22 LEU 56 -9.192 1.995 3.389 366 HD23 LEU 56 HD23 LEU 56 -8.467 0.806 2.281 367 H MET 57 H MET 57 -4.877 5.271 2.395 368 HA MET 57 HA MET 57 -4.526 4.709 -0.354 369 HB2 MET 57 HB2 MET 57 -3.212 6.181 1.738 370 HB3 MET 57 HB3 MET 57 -2.030 5.030 1.147 371 HG2 MET 57 HG2 MET 57 -2.795 5.843 -1.251 372 HG3 MET 57 HG3 MET 57 -3.461 7.220 -0.395 373 HE1 MET 57 HE1 MET 57 -0.821 5.331 -1.746 374 HE2 MET 57 HE2 MET 57 0.551 6.460 -1.840 375 HE3 MET 57 HE3 MET 57 0.420 5.331 -0.470 376 H CYS 58 H CYS 58 -2.427 3.415 -1.041 377 HA CYS 58 HA CYS 58 -2.874 0.760 -0.372 378 HB2 CYS 58 HB2 CYS 58 -0.297 1.814 -1.526 379 HB3 CYS 58 HB3 CYS 58 -1.023 0.235 -1.752 380 H ALA 59 H ALA 59 0.161 2.688 0.224 381 HA ALA 59 HA ALA 59 1.428 1.089 1.940 382 HB1 ALA 59 HB1 ALA 59 2.240 3.279 1.133 383 HB2 ALA 59 HB2 ALA 59 1.095 4.104 2.218 384 HB3 ALA 59 HB3 ALA 59 2.423 3.133 2.897 385 H ASP 60 H ASP 60 -1.163 3.456 2.873 386 HA ASP 60 HA ASP 60 -1.242 3.249 5.472 387 HB2 ASP 60 HB2 ASP 60 -3.696 2.818 3.704 388 HB3 ASP 60 HB3 ASP 60 -3.730 3.399 5.357 389 HD2 ASP 60 HD2 ASP 60 -4.869 5.028 4.325 390 H CYS 61 H CYS 61 -2.012 0.662 3.138 391 HA CYS 61 HA CYS 61 -2.740 -1.097 5.359 392 HB2 CYS 61 HB2 CYS 61 -3.782 -0.779 2.667 393 HB3 CYS 61 HB3 CYS 61 -3.245 -2.427 2.927 394 H HIS 62 H HIS 62 -0.837 -0.859 2.271 395 HA HIS 62 HA HIS 62 0.725 -3.154 3.080 396 HB2 HIS 62 HB2 HIS 62 0.741 -1.453 0.572 397 HB3 HIS 62 HB3 HIS 62 1.803 -2.822 0.841 398 HD1 HIS 62 HD1 HIS 62 0.226 -5.120 1.624 399 HD2 HIS 62 HD2 HIS 62 -1.430 -2.195 -0.886 400 HE1 HIS 62 HE1 HIS 62 -1.725 -6.236 0.416 401 H ALA 63 H ALA 63 1.166 -1.449 5.043 402 HA ALA 63 HA ALA 63 2.772 0.675 4.897 403 HB1 ALA 63 HB1 ALA 63 3.914 -0.547 7.006 404 HB2 ALA 63 HB2 ALA 63 2.259 0.105 7.063 405 HB3 ALA 63 HB3 ALA 63 2.521 -1.633 6.784 406 HA PRO 64 HA PRO 64 6.031 -1.098 2.315 407 HB2 PRO 64 HB2 PRO 64 6.671 1.813 2.049 408 HB3 PRO 64 HB3 PRO 64 6.301 0.581 0.799 409 HG2 PRO 64 HG2 PRO 64 4.274 2.467 1.322 410 HG3 PRO 64 HG3 PRO 64 4.097 0.723 0.939 411 HD2 PRO 64 HD2 PRO 64 4.275 2.098 3.688 412 HD3 PRO 64 HD3 PRO 64 2.972 1.035 3.073 413 H HIS 65 H HIS 65 6.564 1.887 4.384 414 HA HIS 65 HA HIS 65 9.193 0.908 4.998 415 HB2 HIS 65 HB2 HIS 65 7.639 3.389 5.747 416 HB3 HIS 65 HB3 HIS 65 9.207 3.027 6.441 417 HD1 HIS 65 HD1 HIS 65 10.962 2.230 4.187 418 HD2 HIS 65 HD2 HIS 65 8.005 5.169 3.725 419 HE1 HIS 65 HE1 HIS 65 11.659 3.635 2.175 420 H GLU 66 H GLU 66 7.893 -1.150 5.844 421 HA GLU 66 HA GLU 66 8.368 -1.335 8.502 422 HB2 GLU 66 HB2 GLU 66 6.044 0.193 8.179 423 HB3 GLU 66 HB3 GLU 66 5.421 -1.411 8.512 424 HG2 GLU 66 HG2 GLU 66 7.694 -0.706 10.262 425 HG3 GLU 66 HG3 GLU 66 6.363 0.423 10.416 426 HE2 GLU 66 HE2 GLU 66 4.224 -0.683 11.105 427 H ALA 67 H ALA 67 5.617 -2.273 6.303 428 HA ALA 67 HA ALA 67 5.606 -4.952 7.116 429 HB1 ALA 67 HB1 ALA 67 3.948 -5.200 5.502 430 HB2 ALA 67 HB2 ALA 67 3.879 -3.446 5.799 431 HB3 ALA 67 HB3 ALA 67 4.734 -4.074 4.369 432 H LYS 68 H LYS 68 5.811 -6.644 5.028 433 HA LYS 68 HA LYS 68 8.307 -6.123 3.652 434 HB2 LYS 68 HB2 LYS 68 8.173 -8.703 5.164 435 HB3 LYS 68 HB3 LYS 68 9.567 -7.811 4.589 436 HG2 LYS 68 HG2 LYS 68 9.239 -6.083 6.317 437 HG3 LYS 68 HG3 LYS 68 7.743 -6.835 6.836 438 HD2 LYS 68 HD2 LYS 68 9.622 -8.934 6.947 439 HD3 LYS 68 HD3 LYS 68 10.518 -7.541 7.519 440 HE2 LYS 68 HE2 LYS 68 8.342 -7.088 8.982 441 HE3 LYS 68 HE3 LYS 68 8.011 -8.783 8.682 442 HZ1 LYS 68 HZ1 LYS 68 10.684 -8.001 9.643 443 HZ2 LYS 68 HZ2 LYS 68 9.462 -8.122 10.712 444 H VAL 69 H VAL 69 8.372 -7.108 1.649 445 HA VAL 69 HA VAL 69 6.188 -7.769 0.310 446 HB VAL 69 HB VAL 69 9.021 -8.693 0.140 447 HG11 VAL 69 HG11 VAL 69 8.521 -9.869 -1.996 448 HG12 VAL 69 HG12 VAL 69 7.832 -10.682 -0.570 449 HG13 VAL 69 HG13 VAL 69 6.783 -9.719 -1.638 450 HG21 VAL 69 HG21 VAL 69 9.078 -7.352 -1.827 451 HG22 VAL 69 HG22 VAL 69 7.302 -7.253 -1.898 452 HG23 VAL 69 HG23 VAL 69 8.189 -6.415 -0.603 453 H GLY 70 H GLY 70 4.652 -9.354 0.220 454 HA2 GLY 70 HA2 GLY 70 3.751 -11.439 0.462 455 HA3 GLY 70 HA3 GLY 70 5.223 -12.008 1.224 456 H GLU 71 H GLU 71 3.329 -9.087 2.164 457 HA GLU 71 HA GLU 71 2.965 -10.366 4.751 458 HB2 GLU 71 HB2 GLU 71 2.727 -8.085 5.654 459 HB3 GLU 71 HB3 GLU 71 4.228 -8.239 4.764 460 HG2 GLU 71 HG2 GLU 71 1.753 -7.264 3.317 461 HG3 GLU 71 HG3 GLU 71 2.626 -6.153 4.354 462 HE2 GLU 71 HE2 GLU 71 4.073 -7.062 0.805 463 H LYS 72 H LYS 72 0.895 -10.491 5.729 464 HA LYS 72 HA LYS 72 -1.311 -9.758 3.930 465 HB2 LYS 72 HB2 LYS 72 -0.858 -12.202 5.632 466 HB3 LYS 72 HB3 LYS 72 -2.484 -11.695 5.221 467 HG2 LYS 72 HG2 LYS 72 -0.948 -11.544 2.805 468 HG3 LYS 72 HG3 LYS 72 -0.539 -13.071 3.561 469 HD2 LYS 72 HD2 LYS 72 -3.452 -12.338 3.508 470 HD3 LYS 72 HD3 LYS 72 -2.720 -12.749 1.969 471 HE2 LYS 72 HE2 LYS 72 -2.007 -14.932 2.802 472 HE3 LYS 72 HE3 LYS 72 -2.452 -14.515 4.444 473 HZ1 LYS 72 HZ1 LYS 72 -4.485 -14.496 2.298 474 HZ2 LYS 72 HZ2 LYS 72 -4.116 -15.878 3.075 475 HA PRO 73 HA PRO 73 -1.587 -6.764 7.343 476 HB2 PRO 73 HB2 PRO 73 -3.787 -6.051 5.355 477 HB3 PRO 73 HB3 PRO 73 -2.703 -4.994 6.317 478 HG2 PRO 73 HG2 PRO 73 -2.162 -5.550 3.684 479 HG3 PRO 73 HG3 PRO 73 -0.846 -5.468 4.900 480 HD2 PRO 73 HD2 PRO 73 -2.234 -7.872 3.653 481 HD3 PRO 73 HD3 PRO 73 -0.517 -7.672 4.119 482 H THR 74 H THR 74 -2.859 -7.028 9.195 483 HA THR 74 HA THR 74 -5.035 -8.946 8.979 484 HB THR 74 HB THR 74 -4.874 -8.819 11.498 485 HG1 THR 74 HG1 THR 74 -4.027 -6.835 12.039 486 HG21 THR 74 HG21 THR 74 -2.185 -9.063 10.048 487 HG22 THR 74 HG22 THR 74 -2.479 -9.571 11.729 488 HG23 THR 74 HG23 THR 74 -3.311 -10.398 10.391 489 H CYS 75 H CYS 75 -7.156 -8.491 8.986 490 HA CYS 75 HA CYS 75 -7.973 -5.849 8.627 491 HB2 CYS 75 HB2 CYS 75 -9.795 -8.092 9.478 492 HB3 CYS 75 HB3 CYS 75 -10.175 -6.688 8.501 493 H ASP 76 H ASP 76 -7.945 -8.112 11.438 494 HA ASP 76 HA ASP 76 -9.471 -6.885 13.213 495 HB2 ASP 76 HB2 ASP 76 -7.364 -8.739 13.290 496 HB3 ASP 76 HB3 ASP 76 -6.817 -7.476 14.374 497 HD2 ASP 76 HD2 ASP 76 -7.700 -10.159 14.820 498 H THR 77 H THR 77 -6.434 -5.716 11.813 499 HA THR 77 HA THR 77 -5.646 -3.876 13.748 500 HB THR 77 HB THR 77 -5.386 -3.573 10.718 501 HG1 THR 77 HG1 THR 77 -3.507 -5.063 11.199 502 HG21 THR 77 HG21 THR 77 -3.197 -2.669 11.251 503 HG22 THR 77 HG22 THR 77 -4.348 -1.834 12.322 504 HG23 THR 77 HG23 THR 77 -3.344 -3.160 12.955 505 H CYS 78 H CYS 78 -8.055 -3.598 11.092 506 HA CYS 78 HA CYS 78 -8.762 -0.999 12.246 507 HB2 CYS 78 HB2 CYS 78 -8.803 -2.005 9.409 508 HB3 CYS 78 HB3 CYS 78 -9.924 -0.751 9.901 509 H HIS 79 H HIS 79 -10.013 -4.006 10.630 510 HA HIS 79 HA HIS 79 -12.617 -3.485 11.804 511 HB2 HIS 79 HB2 HIS 79 -11.793 -5.693 9.902 512 HB3 HIS 79 HB3 HIS 79 -13.426 -5.229 10.337 513 HD1 HIS 79 HD1 HIS 79 -13.657 -2.325 9.848 514 HD2 HIS 79 HD2 HIS 79 -11.269 -4.760 7.405 515 HE1 HIS 79 HE1 HIS 79 -13.386 -1.076 7.639 516 H ASP 80 H ASP 80 -12.275 -3.904 14.021 517 HA ASP 80 HA ASP 80 -11.098 -6.435 14.698 518 HB2 ASP 80 HB2 ASP 80 -11.363 -5.635 17.042 519 HB3 ASP 80 HB3 ASP 80 -10.514 -4.468 16.048 520 HD2 ASP 80 HD2 ASP 80 -13.220 -4.764 18.109 521 H ASP 81 H ASP 81 -13.638 -6.451 13.210 522 HA ASP 81 HA ASP 81 -15.504 -7.243 15.296 523 HB2 ASP 81 HB2 ASP 81 -17.268 -6.923 13.659 524 HB3 ASP 81 HB3 ASP 81 -16.242 -5.503 13.627 525 HD2 ASP 81 HD2 ASP 81 -16.798 -8.302 11.115 526 H GLY 82 H GLY 82 -13.092 -8.718 13.955 527 HA2 GLY 82 HA2 GLY 82 -12.885 -11.043 13.834 528 HA3 GLY 82 HA3 GLY 82 -14.563 -11.184 13.350 529 H ARG 83 H ARG 83 -13.896 -8.660 11.504 530 HA ARG 83 HA ARG 83 -13.966 -9.764 9.151 531 HB2 ARG 83 HB2 ARG 83 -13.129 -7.233 10.174 532 HB3 ARG 83 HB3 ARG 83 -11.905 -7.692 9.007 533 HG2 ARG 83 HG2 ARG 83 -13.835 -6.398 8.006 534 HG3 ARG 83 HG3 ARG 83 -13.550 -7.949 7.241 535 HD2 ARG 83 HD2 ARG 83 -15.661 -8.620 7.738 536 HD3 ARG 83 HD3 ARG 83 -15.363 -8.381 9.448 537 HE ARG 83 HE ARG 83 -16.433 -6.285 9.340 538 H THR 84 H THR 84 -12.708 -11.045 7.789 539 HA THR 84 HA THR 84 -9.861 -11.317 8.467 540 HB THR 84 HB THR 84 -10.245 -13.823 7.947 541 HG1 THR 84 HG1 THR 84 -12.961 -12.860 8.503 542 HG21 THR 84 HG21 THR 84 -10.443 -14.183 10.200 543 HG22 THR 84 HG22 THR 84 -10.609 -12.420 10.377 544 HG23 THR 84 HG23 THR 84 -12.060 -13.440 10.231 545 H ALA 85 H ALA 85 -8.509 -12.083 6.689 546 HA ALA 85 HA ALA 85 -9.209 -10.747 4.298 547 HB1 ALA 85 HB1 ALA 85 -6.976 -10.836 4.091 548 HB2 ALA 85 HB2 ALA 85 -6.897 -11.852 5.550 549 HB3 ALA 85 HB3 ALA 85 -7.039 -12.609 3.945 550 H LYS 86 H LYS 86 -9.610 -11.647 2.190 551 HA LYS 86 HA LYS 86 -10.240 -14.489 2.135 552 HB2 LYS 86 HB2 LYS 86 -12.268 -12.806 2.692 553 HB3 LYS 86 HB3 LYS 86 -12.294 -12.692 0.943 554 HG2 LYS 86 HG2 LYS 86 -11.949 -15.472 1.624 555 HG3 LYS 86 HG3 LYS 86 -13.251 -14.846 2.616 556 HD2 LYS 86 HD2 LYS 86 -14.581 -14.261 0.752 557 HD3 LYS 86 HD3 LYS 86 -13.207 -14.161 -0.331 558 HE2 LYS 86 HE2 LYS 86 -12.991 -16.780 0.270 559 HE3 LYS 86 HE3 LYS 86 -14.698 -16.603 0.626 560 HZ1 LYS 86 HZ1 LYS 86 -14.197 -15.310 -1.812 561 HZ2 LYS 86 HZ2 LYS 86 -13.496 -16.778 -1.904
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