NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
647327 | 6xwi | 34481 | 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 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 2.118 -1.014 -1.617 3 HB1 ALA 1 1HB ALA 1 2.023 1.738 -2.485 4 HB2 ALA 1 2HB ALA 1 1.272 0.307 -3.192 5 HB3 ALA 1 3HB ALA 1 0.448 1.192 -1.909 6 H SER 2 H SER 2 3.855 0.545 -2.977 7 HA SER 2 HA SER 2 6.202 0.386 -1.485 8 HB2 SER 2 2HB SER 2 6.797 0.453 -3.672 9 HB3 SER 2 3HB SER 2 5.424 1.467 -4.116 10 HG SER 2 HG SER 2 7.919 2.212 -3.847 11 HA PRO 3 HA PRO 3 6.303 4.029 0.970 12 HB2 PRO 3 2HB PRO 3 8.985 4.401 1.159 13 HB3 PRO 3 3HB PRO 3 8.132 3.109 2.012 14 HG2 PRO 3 2HG PRO 3 9.689 2.987 -0.542 15 HG3 PRO 3 3HG PRO 3 9.685 1.853 0.822 16 HD2 PRO 3 2HD PRO 3 8.296 1.396 -1.457 17 HD3 PRO 3 3HD PRO 3 7.737 0.833 0.131 18 H CYS 4 H CYS 4 8.605 4.090 -1.756 19 HA CYS 4 HA CYS 4 8.029 6.958 -2.084 20 HB2 CYS 4 2HB CYS 4 10.437 5.274 -2.669 21 HB3 CYS 4 3HB CYS 4 10.167 6.748 -3.594 22 H ASP 5 H ASP 5 6.190 5.047 -3.027 23 HA ASP 5 HA ASP 5 6.558 4.435 -5.767 24 HB2 ASP 5 2HB ASP 5 4.369 3.631 -5.740 25 HB3 ASP 5 3HB ASP 5 4.865 3.453 -4.060 26 H LYS 6 H LYS 6 5.396 7.247 -4.075 27 HA LYS 6 HA LYS 6 4.015 8.516 -6.160 28 HB2 LYS 6 2HB LYS 6 4.483 10.617 -4.895 29 HB3 LYS 6 3HB LYS 6 3.798 9.330 -3.910 30 HG2 LYS 6 2HG LYS 6 6.403 8.854 -3.506 31 HG3 LYS 6 3HG LYS 6 6.460 10.594 -3.800 32 HD2 LYS 6 2HD LYS 6 6.187 10.312 -1.461 33 HD3 LYS 6 3HD LYS 6 4.620 10.826 -2.090 34 HE2 LYS 6 2HE LYS 6 4.504 8.079 -2.267 35 HE3 LYS 6 3HE LYS 6 5.388 8.346 -0.765 36 HZ1 LYS 6 1HZ LYS 6 3.401 10.111 -0.520 37 HZ2 LYS 6 2HZ LYS 6 3.336 8.534 0.086 38 HZ3 LYS 6 3HZ LYS 6 2.617 8.898 -1.401 39 H GLN 7 H GLN 7 7.430 8.321 -5.406 40 HA GLN 7 HA GLN 7 8.290 10.374 -7.162 41 HB2 GLN 7 2HB GLN 7 9.606 8.124 -5.711 42 HB3 GLN 7 3HB GLN 7 10.491 8.906 -7.015 43 HG2 GLN 7 2HG GLN 7 11.110 9.933 -4.955 44 HG3 GLN 7 3HG GLN 7 10.143 11.080 -5.880 45 HE21 GLN 7 1HE2 GLN 7 9.173 8.327 -3.883 46 HE22 GLN 7 2HE2 GLN 7 8.204 9.241 -2.783 47 H LYS 8 H LYS 8 7.556 6.988 -7.576 48 HA LYS 8 HA LYS 8 8.816 6.659 -10.102 49 HB2 LYS 8 2HB LYS 8 8.399 4.625 -9.106 50 HB3 LYS 8 3HB LYS 8 6.832 5.127 -8.487 51 HG2 LYS 8 2HG LYS 8 7.114 4.909 -11.425 52 HG3 LYS 8 3HG LYS 8 7.101 3.409 -10.494 53 HD2 LYS 8 2HD LYS 8 5.037 5.200 -9.576 54 HD3 LYS 8 3HD LYS 8 4.893 4.919 -11.313 55 HE2 LYS 8 2HE LYS 8 5.172 2.730 -9.259 56 HE3 LYS 8 3HE LYS 8 3.628 3.300 -9.891 57 HZ1 LYS 8 1HZ LYS 8 5.522 2.630 -11.945 58 HZ2 LYS 8 2HZ LYS 8 3.906 2.160 -11.770 59 HZ3 LYS 8 3HZ LYS 8 5.126 1.313 -10.958 60 H ASN 9 H ASN 9 5.531 7.512 -9.104 61 HA ASN 9 HA ASN 9 4.475 7.570 -11.752 62 HB2 ASN 9 2HB ASN 9 2.874 7.246 -10.058 63 HB3 ASN 9 3HB ASN 9 3.500 8.576 -9.089 64 HD21 ASN 9 1HD2 ASN 9 2.960 10.688 -9.627 65 HD22 ASN 9 2HD2 ASN 9 1.649 11.057 -10.690 66 H TYR 10 H TYR 10 5.964 9.929 -9.628 67 HA TYR 10 HA TYR 10 5.268 12.227 -11.143 68 HB2 TYR 10 2HB TYR 10 5.885 12.757 -8.972 69 HB3 TYR 10 3HB TYR 10 7.239 11.634 -8.971 70 HD1 TYR 10 HD1 TYR 10 6.103 14.836 -10.501 71 HD2 TYR 10 HD2 TYR 10 9.401 12.429 -9.307 72 HE1 TYR 10 HE1 TYR 10 7.634 16.694 -11.006 73 HE2 TYR 10 HE2 TYR 10 10.941 14.280 -9.807 74 HH TYR 10 HH TYR 10 10.497 16.596 -11.643 75 H ILE 11 H ILE 11 8.056 10.062 -11.130 76 HA ILE 11 HA ILE 11 9.466 11.598 -13.123 77 HB ILE 11 HB ILE 11 10.029 8.842 -12.022 78 HG12 ILE 11 2HG1 ILE 11 10.154 10.744 -10.394 79 HG13 ILE 11 3HG1 ILE 11 11.684 9.907 -10.636 80 HG21 ILE 11 1HG2 ILE 11 11.233 8.751 -13.948 81 HG22 ILE 11 2HG2 ILE 11 11.366 10.504 -14.079 82 HG23 ILE 11 3HG2 ILE 11 12.394 9.624 -12.948 83 HD11 ILE 11 1HD1 ILE 11 11.106 12.315 -12.277 84 HD12 ILE 11 2HD1 ILE 11 11.557 12.520 -10.584 85 HD13 ILE 11 3HD1 ILE 11 12.646 11.685 -11.691 86 H ASP 12 H ASP 12 7.648 8.564 -13.011 87 HA ASP 12 HA ASP 12 8.120 7.774 -15.672 88 HB2 ASP 12 2HB ASP 12 7.218 6.283 -13.899 89 HB3 ASP 12 3HB ASP 12 5.697 7.169 -13.965 90 H LYS 13 H LYS 13 5.792 9.956 -14.233 91 HA LYS 13 HA LYS 13 4.252 10.219 -16.664 92 HB2 LYS 13 2HB LYS 13 2.813 11.611 -15.448 93 HB3 LYS 13 3HB LYS 13 3.370 10.439 -14.261 94 HG2 LYS 13 2HG LYS 13 3.707 12.277 -13.015 95 HG3 LYS 13 3HG LYS 13 5.222 12.353 -13.916 96 HD2 LYS 13 2HD LYS 13 4.227 14.526 -13.970 97 HD3 LYS 13 3HD LYS 13 4.066 13.819 -15.580 98 HE2 LYS 13 2HE LYS 13 1.777 13.381 -15.273 99 HE3 LYS 13 3HE LYS 13 1.882 13.612 -13.529 100 HZ1 LYS 13 1HZ LYS 13 1.016 15.472 -15.246 101 HZ2 LYS 13 2HZ LYS 13 2.644 15.910 -15.111 102 HZ3 LYS 13 3HZ LYS 13 1.674 15.820 -13.727 103 H GLN 14 H GLN 14 6.910 11.823 -15.111 104 HA GLN 14 HA GLN 14 6.727 14.129 -16.885 105 HB2 GLN 14 2HB GLN 14 8.449 13.440 -14.522 106 HB3 GLN 14 3HB GLN 14 8.875 14.769 -15.591 107 HG2 GLN 14 2HG GLN 14 6.215 14.543 -14.212 108 HG3 GLN 14 3HG GLN 14 7.598 15.401 -13.534 109 HE21 GLN 14 1HE2 GLN 14 5.184 15.368 -16.036 110 HE22 GLN 14 2HE2 GLN 14 5.395 17.007 -16.542 111 H LEU 15 H LEU 15 8.102 11.067 -16.885 112 HA LEU 15 HA LEU 15 10.266 11.875 -18.700 113 HB2 LEU 15 2HB LEU 15 10.810 10.477 -16.701 114 HB3 LEU 15 3HB LEU 15 9.830 9.192 -17.403 115 HG LEU 15 HG LEU 15 11.919 10.189 -19.192 116 HD11 LEU 15 1HD1 LEU 15 13.608 10.231 -17.752 117 HD12 LEU 15 2HD1 LEU 15 13.372 8.498 -17.531 118 HD13 LEU 15 3HD1 LEU 15 12.588 9.640 -16.439 119 HD21 LEU 15 1HD2 LEU 15 10.366 8.066 -19.224 120 HD22 LEU 15 2HD2 LEU 15 11.657 7.381 -18.237 121 HD23 LEU 15 3HD2 LEU 15 12.013 7.998 -19.851 122 H LEU 16 H LEU 16 7.146 10.681 -18.715 123 HA LEU 16 HA LEU 16 7.329 8.842 -20.888 124 HB2 LEU 16 2HB LEU 16 5.206 10.082 -19.282 125 HB3 LEU 16 3HB LEU 16 4.748 9.694 -20.939 126 HG LEU 16 HG LEU 16 6.034 7.604 -19.232 127 HD11 LEU 16 1HD1 LEU 16 3.066 7.919 -19.256 128 HD12 LEU 16 2HD1 LEU 16 4.034 8.803 -18.078 129 HD13 LEU 16 3HD1 LEU 16 4.096 7.042 -18.124 130 HD21 LEU 16 1HD2 LEU 16 4.283 6.279 -20.636 131 HD22 LEU 16 2HD2 LEU 16 5.783 6.825 -21.386 132 HD23 LEU 16 3HD2 LEU 16 4.287 7.722 -21.651 133 HA PRO 17 HA PRO 17 5.939 12.878 -23.258 134 HB2 PRO 17 2HB PRO 17 7.072 15.142 -22.278 135 HB3 PRO 17 3HB PRO 17 5.485 14.561 -21.761 136 HG2 PRO 17 2HG PRO 17 8.142 14.260 -20.416 137 HG3 PRO 17 3HG PRO 17 6.568 14.662 -19.706 138 HD2 PRO 17 2HD PRO 17 7.625 12.172 -19.590 139 HD3 PRO 17 3HD PRO 17 5.876 12.464 -19.681 140 H ILE 18 H ILE 18 9.126 12.813 -21.695 141 HA ILE 18 HA ILE 18 10.481 13.788 -24.037 142 HB ILE 18 HB ILE 18 12.540 13.396 -22.809 143 HG12 ILE 18 2HG1 ILE 18 10.793 12.128 -20.689 144 HG13 ILE 18 3HG1 ILE 18 11.877 11.252 -21.763 145 HG21 ILE 18 1HG2 ILE 18 10.370 15.019 -21.902 146 HG22 ILE 18 2HG2 ILE 18 11.331 14.500 -20.519 147 HG23 ILE 18 3HG2 ILE 18 12.101 15.352 -21.857 148 HD11 ILE 18 1HD1 ILE 18 13.489 13.174 -20.599 149 HD12 ILE 18 2HD1 ILE 18 12.438 12.629 -19.291 150 HD13 ILE 18 3HD1 ILE 18 13.413 11.462 -20.184 151 H VAL 19 H VAL 19 9.386 10.751 -22.945 152 HA VAL 19 HA VAL 19 11.346 9.170 -24.350 153 HB VAL 19 HB VAL 19 8.791 8.500 -22.912 154 HG11 VAL 19 1HG1 VAL 19 10.253 6.899 -24.912 155 HG12 VAL 19 2HG1 VAL 19 9.819 6.066 -23.418 156 HG13 VAL 19 3HG1 VAL 19 8.566 6.819 -24.405 157 HG21 VAL 19 1HG2 VAL 19 10.111 7.914 -21.199 158 HG22 VAL 19 2HG2 VAL 19 11.278 7.110 -22.249 159 HG23 VAL 19 3HG2 VAL 19 11.353 8.857 -22.023 160 H ASN 20 H ASN 20 7.875 9.855 -24.777 161 HA ASN 20 HA ASN 20 7.839 8.609 -27.375 162 HB2 ASN 20 2HB ASN 20 5.539 8.888 -27.331 163 HB3 ASN 20 3HB ASN 20 5.909 8.818 -25.611 164 HD21 ASN 20 1HD2 ASN 20 6.329 10.972 -24.582 165 HD22 ASN 20 2HD2 ASN 20 5.306 12.280 -25.059 166 H LYS 21 H LYS 21 8.875 11.557 -26.242 167 HA LYS 21 HA LYS 21 7.941 13.370 -28.171 168 HB2 LYS 21 2HB LYS 21 9.848 13.363 -26.038 169 HB3 LYS 21 3HB LYS 21 10.594 14.087 -27.456 170 HG2 LYS 21 2HG LYS 21 7.972 15.144 -27.201 171 HG3 LYS 21 3HG LYS 21 8.771 15.248 -25.631 172 HD2 LYS 21 2HD LYS 21 10.262 16.782 -26.350 173 HD3 LYS 21 3HD LYS 21 10.423 16.030 -27.939 174 HE2 LYS 21 2HE LYS 21 8.066 16.942 -28.385 175 HE3 LYS 21 3HE LYS 21 8.337 17.960 -26.971 176 HZ1 LYS 21 1HZ LYS 21 10.592 18.320 -28.414 177 HZ2 LYS 21 2HZ LYS 21 9.260 19.361 -28.419 178 HZ3 LYS 21 3HZ LYS 21 9.420 18.186 -29.626 179 H ALA 22 H ALA 22 10.843 11.330 -28.110 180 HA ALA 22 HA ALA 22 11.621 12.193 -30.765 181 HB1 ALA 22 1HB ALA 22 12.836 10.582 -28.609 182 HB2 ALA 22 2HB ALA 22 13.307 10.171 -30.258 183 HB3 ALA 22 3HB ALA 22 13.552 11.809 -29.653 184 H GLY 23 H GLY 23 10.170 9.380 -29.223 185 HA2 GLY 23 2HA GLY 23 8.700 8.487 -31.342 186 HA3 GLY 23 3HA GLY 23 10.276 7.750 -31.589 187 H CYS 24 H CYS 24 11.120 6.372 -29.882 188 HA CYS 24 HA CYS 24 9.869 5.549 -27.597 189 HB2 CYS 24 2HB CYS 24 8.363 4.738 -29.903 190 HB3 CYS 24 3HB CYS 24 8.997 3.309 -29.093 191 H SER 25 H SER 25 12.006 5.208 -27.034 192 HA SER 25 HA SER 25 13.668 3.378 -28.508 193 HB2 SER 25 2HB SER 25 14.531 4.042 -25.784 194 HB3 SER 25 3HB SER 25 15.369 4.270 -27.319 195 HG SER 25 HG SER 25 13.837 6.083 -27.618 196 H ARG 26 H ARG 26 14.985 1.993 -26.510 197 HA ARG 26 HA ARG 26 13.167 -0.181 -26.082 198 HB2 ARG 26 2HB ARG 26 15.164 -1.216 -24.925 199 HB3 ARG 26 3HB ARG 26 15.406 -0.771 -26.609 200 HG2 ARG 26 2HG ARG 26 16.651 1.169 -25.992 201 HG3 ARG 26 3HG ARG 26 16.252 0.944 -24.288 202 HD2 ARG 26 2HD ARG 26 18.566 0.205 -25.026 203 HD3 ARG 26 3HD ARG 26 17.615 -0.965 -24.113 204 HE ARG 26 HE ARG 26 17.274 -1.277 -26.926 205 HH11 ARG 26 1HH1 ARG 26 19.410 -1.977 -24.268 206 HH12 ARG 26 2HH1 ARG 26 20.102 -3.375 -25.022 207 HH21 ARG 26 1HH2 ARG 26 18.177 -3.116 -27.929 208 HH22 ARG 26 2HH2 ARG 26 19.401 -4.021 -27.105 209 HA PRO 27 HA PRO 27 11.741 0.747 -22.031 210 HB2 PRO 27 2HB PRO 27 11.353 -1.760 -21.065 211 HB3 PRO 27 3HB PRO 27 10.299 -1.024 -22.279 212 HG2 PRO 27 2HG PRO 27 12.544 -2.969 -22.649 213 HG3 PRO 27 3HG PRO 27 10.945 -2.947 -23.415 214 HD2 PRO 27 2HD PRO 27 13.173 -2.048 -24.665 215 HD3 PRO 27 3HD PRO 27 11.567 -1.348 -24.955 216 H GLU 28 H GLU 28 14.484 -1.390 -22.449 217 HA GLU 28 HA GLU 28 15.235 -1.538 -19.715 218 HB2 GLU 28 2HB GLU 28 16.034 -3.179 -21.321 219 HB3 GLU 28 3HB GLU 28 16.864 -1.925 -22.231 220 HG2 GLU 28 2HG GLU 28 17.548 -2.351 -19.363 221 HG3 GLU 28 3HG GLU 28 18.177 -3.455 -20.585 222 H GLU 29 H GLU 29 16.130 0.605 -22.377 223 HA GLU 29 HA GLU 29 18.082 2.042 -20.849 224 HB2 GLU 29 2HB GLU 29 18.476 3.272 -22.761 225 HB3 GLU 29 3HB GLU 29 17.843 1.780 -23.442 226 HG2 GLU 29 2HG GLU 29 16.603 3.253 -24.624 227 HG3 GLU 29 3HG GLU 29 15.552 3.091 -23.218 228 H VAL 30 H VAL 30 14.663 2.297 -21.396 229 HA VAL 30 HA VAL 30 14.226 4.979 -20.755 230 HB VAL 30 HB VAL 30 12.464 2.577 -20.264 231 HG11 VAL 30 1HG1 VAL 30 12.160 5.334 -19.438 232 HG12 VAL 30 2HG1 VAL 30 10.851 4.822 -20.506 233 HG13 VAL 30 3HG1 VAL 30 11.189 3.921 -19.028 234 HG21 VAL 30 1HG2 VAL 30 11.645 4.459 -22.307 235 HG22 VAL 30 2HG2 VAL 30 13.247 3.795 -22.631 236 HG23 VAL 30 3HG2 VAL 30 11.872 2.713 -22.409 237 H GLU 31 H GLU 31 14.622 2.153 -18.684 238 HA GLU 31 HA GLU 31 13.856 3.305 -16.251 239 HB2 GLU 31 2HB GLU 31 14.814 1.445 -15.208 240 HB3 GLU 31 3HB GLU 31 14.380 0.846 -16.803 241 HG2 GLU 31 2HG GLU 31 16.480 -0.002 -16.620 242 HG3 GLU 31 3HG GLU 31 16.844 1.546 -17.380 243 H GLU 32 H GLU 32 16.877 3.432 -18.028 244 HA GLU 32 HA GLU 32 18.484 4.493 -15.961 245 HB2 GLU 32 2HB GLU 32 19.096 3.514 -18.332 246 HB3 GLU 32 3HB GLU 32 18.980 5.198 -18.823 247 HG2 GLU 32 2HG GLU 32 20.789 4.085 -16.691 248 HG3 GLU 32 3HG GLU 32 21.268 4.609 -18.304 249 H ARG 33 H ARG 33 16.482 6.000 -18.451 250 HA ARG 33 HA ARG 33 17.262 8.658 -18.030 251 HB2 ARG 33 2HB ARG 33 14.644 7.505 -19.001 252 HB3 ARG 33 3HB ARG 33 15.027 9.221 -19.032 253 HG2 ARG 33 2HG ARG 33 17.070 8.565 -20.412 254 HG3 ARG 33 3HG ARG 33 16.280 6.998 -20.603 255 HD2 ARG 33 2HD ARG 33 15.151 7.863 -22.312 256 HD3 ARG 33 3HD ARG 33 14.301 8.885 -21.154 257 HE ARG 33 HE ARG 33 15.514 10.678 -21.899 258 HH11 ARG 33 1HH1 ARG 33 17.027 7.740 -22.994 259 HH12 ARG 33 2HH1 ARG 33 18.162 8.552 -24.020 260 HH21 ARG 33 1HH2 ARG 33 17.003 11.759 -23.246 261 HH22 ARG 33 2HH2 ARG 33 18.148 10.839 -24.162 262 H ILE 34 H ILE 34 14.995 6.603 -16.335 263 HA ILE 34 HA ILE 34 13.583 8.557 -14.908 264 HB ILE 34 HB ILE 34 14.287 5.776 -13.963 265 HG12 ILE 34 2HG1 ILE 34 11.942 6.770 -15.598 266 HG13 ILE 34 3HG1 ILE 34 13.223 5.699 -16.156 267 HG21 ILE 34 1HG2 ILE 34 13.116 7.800 -12.546 268 HG22 ILE 34 2HG2 ILE 34 11.720 6.941 -13.196 269 HG23 ILE 34 3HG2 ILE 34 12.911 6.078 -12.223 270 HD11 ILE 34 1HD1 ILE 34 10.765 5.035 -14.915 271 HD12 ILE 34 2HD1 ILE 34 12.027 3.960 -15.516 272 HD13 ILE 34 3HD1 ILE 34 12.077 4.533 -13.849 273 H ARG 35 H ARG 35 16.573 6.820 -14.111 274 HA ARG 35 HA ARG 35 16.947 7.846 -11.539 275 HB2 ARG 35 2HB ARG 35 18.653 6.570 -13.590 276 HB3 ARG 35 3HB ARG 35 19.498 7.522 -12.377 277 HG2 ARG 35 2HG ARG 35 17.467 5.660 -11.344 278 HG3 ARG 35 3HG ARG 35 18.884 4.920 -12.093 279 HD2 ARG 35 2HD ARG 35 19.832 7.014 -10.467 280 HD3 ARG 35 3HD ARG 35 18.625 6.148 -9.516 281 HE ARG 35 HE ARG 35 20.051 4.359 -9.398 282 HH11 ARG 35 1HH1 ARG 35 21.145 6.534 -11.886 283 HH12 ARG 35 2HH1 ARG 35 22.643 5.700 -12.138 284 HH21 ARG 35 1HH2 ARG 35 22.019 3.252 -9.721 285 HH22 ARG 35 2HH2 ARG 35 23.138 3.833 -10.907 286 H ARG 36 H ARG 36 17.729 9.182 -14.693 287 HA ARG 36 HA ARG 36 19.401 11.275 -13.869 288 HB2 ARG 36 2HB ARG 36 19.233 10.661 -16.202 289 HB3 ARG 36 3HB ARG 36 17.526 11.082 -16.230 290 HG2 ARG 36 2HG ARG 36 18.022 13.404 -15.975 291 HG3 ARG 36 3HG ARG 36 19.729 13.058 -15.693 292 HD2 ARG 36 2HD ARG 36 19.419 13.839 -17.959 293 HD3 ARG 36 3HD ARG 36 19.891 12.140 -17.974 294 HE ARG 36 HE ARG 36 17.152 12.120 -18.030 295 HH11 ARG 36 1HH1 ARG 36 19.676 13.491 -19.997 296 HH12 ARG 36 2HH1 ARG 36 18.758 13.405 -21.464 297 HH21 ARG 36 1HH2 ARG 36 15.933 12.002 -19.955 298 HH22 ARG 36 2HH2 ARG 36 16.629 12.559 -21.439 299 H ALA 37 H ALA 37 15.882 11.186 -14.351 300 HA ALA 37 HA ALA 37 15.425 13.889 -13.661 301 HB1 ALA 37 1HB ALA 37 13.046 13.037 -13.256 302 HB2 ALA 37 2HB ALA 37 13.715 12.861 -14.879 303 HB3 ALA 37 3HB ALA 37 13.655 11.471 -13.795 304 H LEU 38 H LEU 38 15.734 10.961 -11.780 305 HA LEU 38 HA LEU 38 14.572 11.839 -9.382 306 HB2 LEU 38 2HB LEU 38 14.946 9.640 -9.163 307 HB3 LEU 38 3HB LEU 38 16.338 9.671 -10.244 308 HG LEU 38 HG LEU 38 17.655 10.620 -8.295 309 HD11 LEU 38 1HD1 LEU 38 15.041 10.456 -7.094 310 HD12 LEU 38 2HD1 LEU 38 16.512 11.218 -6.489 311 HD13 LEU 38 3HD1 LEU 38 16.216 9.506 -6.184 312 HD21 LEU 38 1HD2 LEU 38 17.476 8.235 -7.108 313 HD22 LEU 38 2HD2 LEU 38 18.275 8.471 -8.663 314 HD23 LEU 38 3HD2 LEU 38 16.619 7.865 -8.605 315 H LYS 39 H LYS 39 17.663 12.487 -10.831 316 HA LYS 39 HA LYS 39 19.155 13.280 -8.625 317 HB2 LYS 39 2HB LYS 39 20.626 14.269 -10.125 318 HB3 LYS 39 3HB LYS 39 19.810 13.081 -11.133 319 HG2 LYS 39 2HG LYS 39 19.497 14.773 -12.548 320 HG3 LYS 39 3HG LYS 39 18.217 15.276 -11.442 321 HD2 LYS 39 2HD LYS 39 20.806 16.193 -10.539 322 HD3 LYS 39 3HD LYS 39 20.469 16.741 -12.183 323 HE2 LYS 39 2HE LYS 39 18.086 17.214 -10.981 324 HE3 LYS 39 3HE LYS 39 19.195 17.480 -9.636 325 HZ1 LYS 39 1HZ LYS 39 20.347 19.130 -10.872 326 HZ2 LYS 39 2HZ LYS 39 18.698 19.492 -10.982 327 HZ3 LYS 39 3HZ LYS 39 19.495 18.772 -12.290 328 H LYS 40 H LYS 40 16.470 14.818 -10.156 329 HA LYS 40 HA LYS 40 16.885 17.482 -9.410 330 HB2 LYS 40 2HB LYS 40 15.128 16.722 -10.980 331 HB3 LYS 40 3HB LYS 40 14.252 16.010 -9.632 332 HG2 LYS 40 2HG LYS 40 13.946 18.203 -8.641 333 HG3 LYS 40 3HG LYS 40 14.884 18.939 -9.942 334 HD2 LYS 40 2HD LYS 40 13.182 18.793 -11.429 335 HD3 LYS 40 3HD LYS 40 12.602 17.259 -10.775 336 HE2 LYS 40 2HE LYS 40 12.210 19.971 -9.513 337 HE3 LYS 40 3HE LYS 40 10.992 19.079 -10.423 338 HZ1 LYS 40 1HZ LYS 40 12.060 18.558 -7.742 339 HZ2 LYS 40 2HZ LYS 40 11.537 17.244 -8.669 340 HZ3 LYS 40 3HZ LYS 40 10.462 18.496 -8.295 341 H MET 41 H MET 41 16.103 14.724 -7.522 342 HA MET 41 HA MET 41 15.220 16.380 -5.270 343 HB2 MET 41 2HB MET 41 15.338 13.390 -5.176 344 HB3 MET 41 3HB MET 41 14.246 14.487 -4.341 345 HG2 MET 41 2HG MET 41 14.196 13.790 -7.268 346 HG3 MET 41 3HG MET 41 13.059 13.250 -6.034 347 HE1 MET 41 1HE MET 41 12.646 15.886 -4.297 348 HE2 MET 41 2HE MET 41 11.221 16.560 -5.087 349 HE3 MET 41 3HE MET 41 11.339 14.821 -4.813 350 H GLY 42 H GLY 42 17.906 14.570 -6.442 351 HA2 GLY 42 2HA GLY 42 20.046 14.369 -5.620 352 HA3 GLY 42 3HA GLY 42 19.602 15.513 -4.361 353 H ASP 43 H ASP 43 17.349 13.150 -4.196 354 HA ASP 43 HA ASP 43 18.907 11.650 -2.193 355 HB2 ASP 43 2HB ASP 43 16.254 12.881 -2.106 356 HB3 ASP 43 3HB ASP 43 16.252 11.200 -1.580 357 H THR 44 H THR 44 19.604 10.167 -3.824 358 HA THR 44 HA THR 44 17.578 8.553 -5.147 359 HB THR 44 HB THR 44 19.308 7.592 -6.427 360 HG1 THR 44 HG1 THR 44 20.896 8.295 -4.233 361 HG21 THR 44 1HG2 THR 44 19.892 9.432 -7.575 362 HG22 THR 44 2HG2 THR 44 20.740 10.132 -6.196 363 HG23 THR 44 3HG2 THR 44 18.992 10.315 -6.342 364 H SER 45 H SER 45 18.403 8.569 -2.132 365 HA SER 45 HA SER 45 19.367 5.932 -1.628 366 HB2 SER 45 2HB SER 45 19.508 6.621 0.520 367 HB3 SER 45 3HB SER 45 19.123 8.217 -0.124 368 HG SER 45 HG SER 45 17.654 7.844 1.466 369 H CYS 46 H CYS 46 16.167 7.450 -1.561 370 HA CYS 46 HA CYS 46 14.902 4.903 -0.945 371 HB2 CYS 46 2HB CYS 46 14.144 7.060 0.099 372 HB3 CYS 46 3HB CYS 46 13.586 7.569 -1.491 373 H PHE 47 H PHE 47 15.603 6.899 -3.663 374 HA PHE 47 HA PHE 47 13.568 5.879 -5.391 375 HB2 PHE 47 2HB PHE 47 15.015 8.069 -5.565 376 HB3 PHE 47 3HB PHE 47 16.131 7.021 -6.434 377 HD1 PHE 47 HD1 PHE 47 15.166 5.687 -8.413 378 HD2 PHE 47 HD2 PHE 47 13.251 9.069 -6.678 379 HE1 PHE 47 HE1 PHE 47 13.853 5.995 -10.471 380 HE2 PHE 47 HE2 PHE 47 11.935 9.382 -8.733 381 HZ PHE 47 HZ PHE 47 12.234 7.844 -10.633 382 H ASP 48 H ASP 48 16.832 4.951 -4.568 383 HA ASP 48 HA ASP 48 17.484 3.290 -6.687 384 HB2 ASP 48 2HB ASP 48 18.929 3.946 -4.693 385 HB3 ASP 48 3HB ASP 48 18.133 2.644 -3.813 386 H GLU 49 H GLU 49 15.386 2.692 -3.934 387 HA GLU 49 HA GLU 49 15.075 -0.108 -4.480 388 HB2 GLU 49 2HB GLU 49 13.646 1.825 -2.665 389 HB3 GLU 49 3HB GLU 49 13.128 0.155 -2.838 390 HG2 GLU 49 2HG GLU 49 15.788 1.128 -1.828 391 HG3 GLU 49 3HG GLU 49 14.508 0.359 -0.891 392 H ILE 50 H ILE 50 13.127 2.802 -5.028 393 HA ILE 50 HA ILE 50 10.932 1.443 -6.209 394 HB ILE 50 HB ILE 50 10.017 3.525 -6.672 395 HG12 ILE 50 2HG1 ILE 50 11.815 5.555 -6.552 396 HG13 ILE 50 3HG1 ILE 50 12.821 4.278 -7.228 397 HG21 ILE 50 1HG2 ILE 50 11.021 3.093 -4.209 398 HG22 ILE 50 2HG2 ILE 50 11.780 4.638 -4.592 399 HG23 ILE 50 3HG2 ILE 50 10.023 4.485 -4.631 400 HD11 ILE 50 1HD1 ILE 50 11.965 4.682 -9.221 401 HD12 ILE 50 2HD1 ILE 50 10.362 4.258 -8.621 402 HD13 ILE 50 3HD1 ILE 50 10.923 5.927 -8.533 403 H LEU 51 H LEU 51 13.966 2.638 -7.424 404 HA LEU 51 HA LEU 51 13.402 2.845 -10.144 405 HB2 LEU 51 2HB LEU 51 15.614 3.141 -10.398 406 HB3 LEU 51 3HB LEU 51 15.595 3.222 -8.637 407 HG LEU 51 HG LEU 51 16.048 0.661 -8.782 408 HD11 LEU 51 1HD1 LEU 51 17.680 0.566 -10.934 409 HD12 LEU 51 2HD1 LEU 51 16.363 1.554 -11.565 410 HD13 LEU 51 3HD1 LEU 51 16.028 -0.050 -10.913 411 HD21 LEU 51 1HD2 LEU 51 17.972 1.376 -7.945 412 HD22 LEU 51 2HD2 LEU 51 17.688 2.975 -8.632 413 HD23 LEU 51 3HD2 LEU 51 18.545 1.751 -9.570 414 H LYS 52 H LYS 52 13.993 0.036 -8.146 415 HA LYS 52 HA LYS 52 14.382 -1.810 -10.278 416 HB2 LYS 52 2HB LYS 52 14.274 -1.882 -7.394 417 HB3 LYS 52 3HB LYS 52 13.349 -3.214 -8.073 418 HG2 LYS 52 2HG LYS 52 15.546 -4.008 -7.728 419 HG3 LYS 52 3HG LYS 52 15.361 -3.770 -9.467 420 HD2 LYS 52 2HD LYS 52 16.298 -1.331 -8.604 421 HD3 LYS 52 3HD LYS 52 17.169 -2.475 -7.579 422 HE2 LYS 52 2HE LYS 52 17.806 -3.722 -9.645 423 HE3 LYS 52 3HE LYS 52 17.076 -2.427 -10.592 424 HZ1 LYS 52 1HZ LYS 52 19.529 -2.395 -8.983 425 HZ2 LYS 52 2HZ LYS 52 18.658 -0.956 -9.159 426 HZ3 LYS 52 3HZ LYS 52 19.246 -1.760 -10.526 427 H GLY 53 H GLY 53 11.573 -0.904 -8.304 428 HA2 GLY 53 2HA GLY 53 9.810 -2.731 -9.643 429 HA3 GLY 53 3HA GLY 53 9.342 -1.465 -8.517 430 H LEU 54 H LEU 54 11.045 0.337 -10.426 431 HA LEU 54 HA LEU 54 8.778 1.264 -11.927 432 HB2 LEU 54 2HB LEU 54 11.216 2.342 -11.009 433 HB3 LEU 54 3HB LEU 54 11.232 2.477 -12.767 434 HG LEU 54 HG LEU 54 9.146 3.610 -10.903 435 HD11 LEU 54 1HD1 LEU 54 10.344 5.476 -10.862 436 HD12 LEU 54 2HD1 LEU 54 10.498 5.479 -12.619 437 HD13 LEU 54 3HD1 LEU 54 11.659 4.589 -11.634 438 HD21 LEU 54 1HD2 LEU 54 8.448 4.759 -13.096 439 HD22 LEU 54 2HD2 LEU 54 7.956 3.086 -12.834 440 HD23 LEU 54 3HD2 LEU 54 9.322 3.449 -13.891 441 H LYS 55 H LYS 55 9.602 -1.376 -12.628 442 HA LYS 55 HA LYS 55 10.815 -1.064 -15.274 443 HB2 LYS 55 2HB LYS 55 11.050 -3.476 -15.279 444 HB3 LYS 55 3HB LYS 55 11.689 -2.827 -13.774 445 HG2 LYS 55 2HG LYS 55 9.108 -3.356 -13.090 446 HG3 LYS 55 3HG LYS 55 9.450 -4.649 -14.241 447 HD2 LYS 55 2HD LYS 55 11.717 -4.468 -12.605 448 HD3 LYS 55 3HD LYS 55 10.332 -4.344 -11.518 449 HE2 LYS 55 2HE LYS 55 9.642 -6.464 -11.939 450 HE3 LYS 55 3HE LYS 55 10.191 -6.426 -13.614 451 HZ1 LYS 55 1HZ LYS 55 11.714 -7.840 -12.736 452 HZ2 LYS 55 2HZ LYS 55 11.659 -7.152 -11.192 453 HZ3 LYS 55 3HZ LYS 55 12.524 -6.387 -12.428 454 H GLU 56 H GLU 56 8.057 -0.203 -14.593 455 HA GLU 56 HA GLU 56 6.546 -1.981 -16.390 456 HB2 GLU 56 2HB GLU 56 5.616 -0.120 -14.205 457 HB3 GLU 56 3HB GLU 56 4.521 -0.852 -15.369 458 HG2 GLU 56 2HG GLU 56 4.621 -2.878 -14.397 459 HG3 GLU 56 3HG GLU 56 6.322 -2.709 -13.967 460 H ILE 57 H ILE 57 8.043 -0.537 -17.888 461 HA ILE 57 HA ILE 57 7.018 2.095 -18.436 462 HB ILE 57 HB ILE 57 9.385 1.562 -18.822 463 HG12 ILE 57 2HG1 ILE 57 9.506 2.462 -21.192 464 HG13 ILE 57 3HG1 ILE 57 7.750 2.345 -21.238 465 HG21 ILE 57 1HG2 ILE 57 9.039 0.164 -21.335 466 HG22 ILE 57 2HG2 ILE 57 10.085 -0.214 -19.968 467 HG23 ILE 57 3HG2 ILE 57 8.408 -0.758 -19.971 468 HD11 ILE 57 1HD1 ILE 57 8.795 4.601 -20.667 469 HD12 ILE 57 2HD1 ILE 57 7.483 4.018 -19.641 470 HD13 ILE 57 3HD1 ILE 57 9.155 3.890 -19.094 471 H LYS 58 H LYS 58 5.498 2.673 -19.863 472 HA LYS 58 HA LYS 58 4.488 0.621 -21.720 473 HB2 LYS 58 2HB LYS 58 2.997 2.528 -19.945 474 HB3 LYS 58 3HB LYS 58 2.260 1.939 -21.430 475 HG2 LYS 58 2HG LYS 58 1.471 0.441 -19.877 476 HG3 LYS 58 3HG LYS 58 2.887 -0.405 -20.505 477 HD2 LYS 58 2HD LYS 58 4.186 0.189 -18.603 478 HD3 LYS 58 3HD LYS 58 2.959 1.327 -18.041 479 HE2 LYS 58 2HE LYS 58 2.979 -0.801 -16.773 480 HE3 LYS 58 3HE LYS 58 1.437 -0.474 -17.562 481 HZ1 LYS 58 1HZ LYS 58 1.602 -2.343 -18.718 482 HZ2 LYS 58 2HZ LYS 58 2.943 -2.761 -17.777 483 HZ3 LYS 58 3HZ LYS 58 3.162 -1.970 -19.256 484 H CYS 59 H CYS 59 6.446 2.211 -22.626 485 HA CYS 59 HA CYS 59 5.967 4.702 -23.624 486 HB2 CYS 59 2HB CYS 59 8.090 3.451 -23.893 487 HB3 CYS 59 3HB CYS 59 7.328 2.460 -25.132 488 H GLY 60 H GLY 60 4.879 1.624 -24.995 489 HA2 GLY 60 2HA GLY 60 2.795 3.062 -26.447 490 HA3 GLY 60 3HA GLY 60 3.921 2.121 -27.414 491 H GLY 61 H GLY 61 2.978 1.070 -24.228 492 HA2 GLY 61 2HA GLY 61 1.630 -0.655 -23.512 493 HA3 GLY 61 3HA GLY 61 0.790 -0.563 -25.053 494 H SER 62 H SER 62 1.752 -1.660 -26.893 495 HA SER 62 HA SER 62 2.791 -4.232 -26.117 496 HB2 SER 62 2HB SER 62 1.438 -4.666 -27.881 497 HB3 SER 62 3HB SER 62 1.601 -3.035 -28.529 498 HG SER 62 HG SER 62 2.545 -4.708 -29.854 499 H TRP 63 H TRP 63 4.881 -4.264 -25.537 500 HA TRP 63 HA TRP 63 6.857 -2.634 -26.852 501 HB2 TRP 63 2HB TRP 63 6.812 -4.515 -24.548 502 HB3 TRP 63 3HB TRP 63 8.359 -4.268 -25.354 503 HD1 TRP 63 HD1 TRP 63 6.463 -2.938 -22.578 504 HE1 TRP 63 HE1 TRP 63 7.243 -0.571 -21.937 505 HE3 TRP 63 HE3 TRP 63 9.172 -1.814 -26.765 506 HZ2 TRP 63 HZ2 TRP 63 8.800 1.500 -23.058 507 HZ3 TRP 63 HZ3 TRP 63 10.275 0.381 -26.902 508 HH2 TRP 63 HH2 TRP 63 10.091 2.003 -25.086 509 H LEU 64 H LEU 64 8.921 -3.668 -27.639 510 HA LEU 64 HA LEU 64 8.974 -6.322 -28.578 511 HB2 LEU 64 2HB LEU 64 7.260 -4.847 -30.069 512 HB3 LEU 64 3HB LEU 64 8.766 -4.588 -30.947 513 HG LEU 64 HG LEU 64 7.451 -6.420 -31.898 514 HD11 LEU 64 1HD1 LEU 64 9.249 -8.189 -31.744 515 HD12 LEU 64 2HD1 LEU 64 10.070 -7.126 -30.602 516 HD13 LEU 64 3HD1 LEU 64 9.778 -6.586 -32.255 517 HD21 LEU 64 1HD2 LEU 64 6.947 -8.402 -30.719 518 HD22 LEU 64 2HD2 LEU 64 6.441 -7.076 -29.672 519 HD23 LEU 64 3HD2 LEU 64 7.949 -7.932 -29.346 520 H GLU 65 H GLU 65 10.739 -4.591 -27.256 521 HA GLU 65 HA GLU 65 12.926 -4.470 -29.220 522 HB2 GLU 65 2HB GLU 65 11.761 -2.260 -27.945 523 HB3 GLU 65 3HB GLU 65 13.277 -2.538 -27.099 524 HG2 GLU 65 2HG GLU 65 14.250 -1.374 -28.712 525 HG3 GLU 65 3HG GLU 65 13.972 -2.766 -29.758 526 H HIS 66 H HIS 66 15.014 -3.843 -27.633 527 HA HIS 66 HA HIS 66 15.036 -5.978 -25.601 528 HB2 HIS 66 2HB HIS 66 16.817 -5.472 -27.874 529 HB3 HIS 66 3HB HIS 66 17.670 -5.697 -26.349 530 HD1 HIS 66 HD1 HIS 66 18.224 -8.049 -25.861 531 HD2 HIS 66 HD2 HIS 66 14.855 -7.733 -28.272 532 HE1 HIS 66 HE1 HIS 66 17.550 -10.414 -26.387 Start of MODEL 2 1 H1 ALA 1 H ALA 1 2.294 -1.503 -0.103 2 HA ALA 1 HA ALA 1 2.749 -1.941 -2.724 3 HB1 ALA 1 1HB ALA 1 0.886 0.160 -2.551 4 HB2 ALA 1 2HB ALA 1 2.412 0.879 -3.068 5 HB3 ALA 1 3HB ALA 1 1.705 -0.448 -3.989 6 H SER 2 H SER 2 4.376 -0.069 -3.676 7 HA SER 2 HA SER 2 6.625 -0.201 -1.977 8 HB2 SER 2 2HB SER 2 6.884 1.869 -3.983 9 HB3 SER 2 3HB SER 2 7.717 0.319 -3.866 10 HG SER 2 HG SER 2 6.077 -0.641 -4.998 11 HA PRO 3 HA PRO 3 6.201 3.355 0.569 12 HB2 PRO 3 2HB PRO 3 8.815 3.928 1.024 13 HB3 PRO 3 3HB PRO 3 7.993 2.546 1.757 14 HG2 PRO 3 2HG PRO 3 9.787 2.630 -0.638 15 HG3 PRO 3 3HG PRO 3 9.747 1.455 0.689 16 HD2 PRO 3 2HD PRO 3 8.618 0.967 -1.723 17 HD3 PRO 3 3HD PRO 3 7.960 0.310 -0.211 18 H CYS 4 H CYS 4 8.393 3.562 -2.198 19 HA CYS 4 HA CYS 4 7.801 6.444 -2.372 20 HB2 CYS 4 2HB CYS 4 10.286 4.880 -2.963 21 HB3 CYS 4 3HB CYS 4 9.972 6.367 -3.853 22 H ASP 5 H ASP 5 6.047 4.515 -3.408 23 HA ASP 5 HA ASP 5 6.484 3.991 -6.156 24 HB2 ASP 5 2HB ASP 5 4.713 3.054 -4.379 25 HB3 ASP 5 3HB ASP 5 3.699 4.268 -5.154 26 H LYS 6 H LYS 6 5.196 6.715 -4.409 27 HA LYS 6 HA LYS 6 3.822 8.000 -6.490 28 HB2 LYS 6 2HB LYS 6 4.189 10.076 -5.152 29 HB3 LYS 6 3HB LYS 6 3.522 8.739 -4.224 30 HG2 LYS 6 2HG LYS 6 6.142 8.342 -3.781 31 HG3 LYS 6 3HG LYS 6 6.126 10.095 -3.995 32 HD2 LYS 6 2HD LYS 6 4.003 8.986 -2.272 33 HD3 LYS 6 3HD LYS 6 5.647 8.863 -1.643 34 HE2 LYS 6 2HE LYS 6 4.959 10.920 -0.838 35 HE3 LYS 6 3HE LYS 6 5.823 11.360 -2.311 36 HZ1 LYS 6 1HZ LYS 6 2.937 11.396 -1.772 37 HZ2 LYS 6 2HZ LYS 6 3.468 11.150 -3.358 38 HZ3 LYS 6 3HZ LYS 6 3.903 12.560 -2.530 39 H GLN 7 H GLN 7 7.222 7.879 -5.667 40 HA GLN 7 HA GLN 7 8.059 10.019 -7.330 41 HB2 GLN 7 2HB GLN 7 9.403 7.765 -5.918 42 HB3 GLN 7 3HB GLN 7 10.295 8.594 -7.186 43 HG2 GLN 7 2HG GLN 7 10.852 9.585 -5.089 44 HG3 GLN 7 3HG GLN 7 9.883 10.733 -6.011 45 HE21 GLN 7 1HE2 GLN 7 8.920 7.921 -4.095 46 HE22 GLN 7 2HE2 GLN 7 7.910 8.793 -2.999 47 H LYS 8 H LYS 8 7.427 6.632 -7.880 48 HA LYS 8 HA LYS 8 8.755 6.420 -10.382 49 HB2 LYS 8 2HB LYS 8 8.358 4.341 -9.484 50 HB3 LYS 8 3HB LYS 8 6.774 4.791 -8.865 51 HG2 LYS 8 2HG LYS 8 5.774 4.558 -10.999 52 HG3 LYS 8 3HG LYS 8 7.345 4.427 -11.794 53 HD2 LYS 8 2HD LYS 8 7.749 2.316 -10.584 54 HD3 LYS 8 3HD LYS 8 6.142 2.441 -9.865 55 HE2 LYS 8 2HE LYS 8 6.329 2.616 -12.818 56 HE3 LYS 8 3HE LYS 8 6.629 1.041 -12.084 57 HZ1 LYS 8 1HZ LYS 8 4.182 2.154 -12.643 58 HZ2 LYS 8 2HZ LYS 8 4.328 2.281 -10.963 59 HZ3 LYS 8 3HZ LYS 8 4.473 0.771 -11.712 60 H ASN 9 H ASN 9 5.419 7.149 -9.447 61 HA ASN 9 HA ASN 9 4.448 7.297 -12.126 62 HB2 ASN 9 2HB ASN 9 3.249 7.110 -9.690 63 HB3 ASN 9 3HB ASN 9 3.001 8.816 -10.049 64 HD21 ASN 9 1HD2 ASN 9 2.614 8.856 -12.709 65 HD22 ASN 9 2HD2 ASN 9 1.203 7.954 -13.132 66 H TYR 10 H TYR 10 5.786 9.594 -9.840 67 HA TYR 10 HA TYR 10 5.060 11.945 -11.253 68 HB2 TYR 10 2HB TYR 10 5.613 12.364 -9.038 69 HB3 TYR 10 3HB TYR 10 7.015 11.301 -9.078 70 HD1 TYR 10 HD1 TYR 10 5.768 14.526 -10.474 71 HD2 TYR 10 HD2 TYR 10 9.141 12.214 -9.299 72 HE1 TYR 10 HE1 TYR 10 7.224 16.473 -10.846 73 HE2 TYR 10 HE2 TYR 10 10.606 14.155 -9.666 74 HH TYR 10 HH TYR 10 10.638 16.230 -10.899 75 H ILE 11 H ILE 11 7.911 9.864 -11.291 76 HA ILE 11 HA ILE 11 9.312 11.545 -13.172 77 HB ILE 11 HB ILE 11 9.946 8.759 -12.191 78 HG12 ILE 11 2HG1 ILE 11 9.975 10.581 -10.471 79 HG13 ILE 11 3HG1 ILE 11 11.538 9.813 -10.723 80 HG21 ILE 11 1HG2 ILE 11 12.303 9.675 -13.027 81 HG22 ILE 11 2HG2 ILE 11 11.201 8.793 -14.082 82 HG23 ILE 11 3HG2 ILE 11 11.260 10.554 -14.146 83 HD11 ILE 11 1HD1 ILE 11 12.465 11.682 -11.606 84 HD12 ILE 11 2HD1 ILE 11 10.943 12.249 -12.294 85 HD13 ILE 11 3HD1 ILE 11 11.255 12.435 -10.568 86 H ASP 12 H ASP 12 7.570 8.469 -13.247 87 HA ASP 12 HA ASP 12 8.132 7.823 -15.935 88 HB2 ASP 12 2HB ASP 12 7.245 6.224 -14.237 89 HB3 ASP 12 3HB ASP 12 5.690 7.046 -14.329 90 H LYS 13 H LYS 13 5.721 9.863 -14.437 91 HA LYS 13 HA LYS 13 4.200 10.185 -16.874 92 HB2 LYS 13 2HB LYS 13 2.710 11.490 -15.617 93 HB3 LYS 13 3HB LYS 13 3.277 10.272 -14.482 94 HG2 LYS 13 2HG LYS 13 3.553 12.051 -13.140 95 HG3 LYS 13 3HG LYS 13 5.079 12.207 -14.012 96 HD2 LYS 13 2HD LYS 13 4.330 14.326 -14.313 97 HD3 LYS 13 3HD LYS 13 3.490 13.579 -15.674 98 HE2 LYS 13 2HE LYS 13 1.619 14.412 -14.789 99 HE3 LYS 13 3HE LYS 13 1.772 13.155 -13.563 100 HZ1 LYS 13 1HZ LYS 13 2.663 14.623 -12.045 101 HZ2 LYS 13 2HZ LYS 13 1.521 15.593 -12.829 102 HZ3 LYS 13 3HZ LYS 13 3.160 15.731 -13.223 103 H GLN 14 H GLN 14 6.795 11.794 -15.223 104 HA GLN 14 HA GLN 14 6.563 14.168 -16.899 105 HB2 GLN 14 2HB GLN 14 7.199 14.091 -14.364 106 HB3 GLN 14 3HB GLN 14 8.803 13.694 -14.967 107 HG2 GLN 14 2HG GLN 14 9.081 15.915 -14.949 108 HG3 GLN 14 3HG GLN 14 8.238 15.836 -16.495 109 HE21 GLN 14 1HE2 GLN 14 5.662 15.364 -15.651 110 HE22 GLN 14 2HE2 GLN 14 5.081 16.742 -14.786 111 H LEU 15 H LEU 15 8.076 11.155 -16.957 112 HA LEU 15 HA LEU 15 10.194 12.110 -18.758 113 HB2 LEU 15 2HB LEU 15 10.837 10.738 -16.777 114 HB3 LEU 15 3HB LEU 15 9.919 9.401 -17.467 115 HG LEU 15 HG LEU 15 11.954 10.527 -19.257 116 HD11 LEU 15 1HD1 LEU 15 12.645 9.949 -16.525 117 HD12 LEU 15 2HD1 LEU 15 13.655 10.563 -17.833 118 HD13 LEU 15 3HD1 LEU 15 13.445 8.824 -17.623 119 HD21 LEU 15 1HD2 LEU 15 12.123 8.363 -19.982 120 HD22 LEU 15 2HD2 LEU 15 10.474 8.355 -19.356 121 HD23 LEU 15 3HD2 LEU 15 11.788 7.684 -18.389 122 H LEU 16 H LEU 16 7.158 10.698 -18.766 123 HA LEU 16 HA LEU 16 7.460 8.912 -20.972 124 HB2 LEU 16 2HB LEU 16 5.632 8.465 -19.594 125 HB3 LEU 16 3HB LEU 16 5.123 10.152 -19.568 126 HG LEU 16 HG LEU 16 5.018 8.879 -22.213 127 HD11 LEU 16 1HD1 LEU 16 4.165 6.956 -21.369 128 HD12 LEU 16 2HD1 LEU 16 2.690 7.923 -21.348 129 HD13 LEU 16 3HD1 LEU 16 3.630 7.717 -19.870 130 HD21 LEU 16 1HD2 LEU 16 3.896 10.811 -22.368 131 HD22 LEU 16 2HD2 LEU 16 3.628 10.908 -20.628 132 HD23 LEU 16 3HD2 LEU 16 2.565 9.919 -21.630 133 HA PRO 17 HA PRO 17 5.742 12.868 -23.260 134 HB2 PRO 17 2HB PRO 17 6.706 15.196 -22.250 135 HB3 PRO 17 3HB PRO 17 5.174 14.486 -21.730 136 HG2 PRO 17 2HG PRO 17 7.859 14.368 -20.412 137 HG3 PRO 17 3HG PRO 17 6.265 14.636 -19.683 138 HD2 PRO 17 2HD PRO 17 7.511 12.233 -19.618 139 HD3 PRO 17 3HD PRO 17 5.744 12.391 -19.691 140 H ILE 18 H ILE 18 8.939 13.028 -21.723 141 HA ILE 18 HA ILE 18 10.193 14.143 -24.058 142 HB ILE 18 HB ILE 18 12.303 13.820 -22.845 143 HG12 ILE 18 2HG1 ILE 18 10.570 12.542 -20.718 144 HG13 ILE 18 3HG1 ILE 18 11.730 11.695 -21.735 145 HG21 ILE 18 1HG2 ILE 18 11.968 15.582 -21.443 146 HG22 ILE 18 2HG2 ILE 18 10.461 15.661 -22.354 147 HG23 ILE 18 3HG2 ILE 18 10.490 14.904 -20.762 148 HD11 ILE 18 1HD1 ILE 18 13.243 12.054 -20.165 149 HD12 ILE 18 2HD1 ILE 18 13.162 13.774 -20.548 150 HD13 ILE 18 3HD1 ILE 18 12.144 13.105 -19.273 151 H VAL 19 H VAL 19 9.332 11.015 -23.026 152 HA VAL 19 HA VAL 19 11.400 9.605 -24.456 153 HB VAL 19 HB VAL 19 8.892 8.732 -23.047 154 HG11 VAL 19 1HG1 VAL 19 10.086 6.385 -23.608 155 HG12 VAL 19 2HG1 VAL 19 8.779 7.072 -24.574 156 HG13 VAL 19 3HG1 VAL 19 10.456 7.280 -25.082 157 HG21 VAL 19 1HG2 VAL 19 11.465 7.496 -22.412 158 HG22 VAL 19 2HG2 VAL 19 11.422 9.238 -22.141 159 HG23 VAL 19 3HG2 VAL 19 10.246 8.192 -21.344 160 H ASN 20 H ASN 20 7.898 10.088 -24.899 161 HA ASN 20 HA ASN 20 7.947 8.879 -27.514 162 HB2 ASN 20 2HB ASN 20 5.880 10.001 -25.703 163 HB3 ASN 20 3HB ASN 20 5.522 10.042 -27.426 164 HD21 ASN 20 1HD2 ASN 20 5.689 8.002 -28.597 165 HD22 ASN 20 2HD2 ASN 20 5.280 6.538 -27.776 166 H LYS 21 H LYS 21 8.818 11.862 -26.335 167 HA LYS 21 HA LYS 21 7.804 13.646 -28.251 168 HB2 LYS 21 2HB LYS 21 8.764 14.598 -26.318 169 HB3 LYS 21 3HB LYS 21 10.254 13.682 -26.504 170 HG2 LYS 21 2HG LYS 21 10.879 15.008 -28.421 171 HG3 LYS 21 3HG LYS 21 9.341 15.874 -28.357 172 HD2 LYS 21 2HD LYS 21 11.024 17.256 -27.355 173 HD3 LYS 21 3HD LYS 21 9.962 16.666 -26.075 174 HE2 LYS 21 2HE LYS 21 12.293 16.539 -25.388 175 HE3 LYS 21 3HE LYS 21 11.596 14.926 -25.529 176 HZ1 LYS 21 1HZ LYS 21 13.105 14.381 -27.039 177 HZ2 LYS 21 2HZ LYS 21 13.898 15.842 -26.726 178 HZ3 LYS 21 3HZ LYS 21 12.769 15.745 -27.982 179 H ALA 22 H ALA 22 10.800 11.749 -28.185 180 HA ALA 22 HA ALA 22 11.580 12.699 -30.808 181 HB1 ALA 22 1HB ALA 22 12.977 10.405 -29.558 182 HB2 ALA 22 2HB ALA 22 13.630 11.819 -30.386 183 HB3 ALA 22 3HB ALA 22 13.060 11.957 -28.723 184 H GLY 23 H GLY 23 10.226 9.791 -29.355 185 HA2 GLY 23 2HA GLY 23 8.815 8.891 -31.508 186 HA3 GLY 23 3HA GLY 23 10.425 8.233 -31.764 187 H CYS 24 H CYS 24 11.328 6.874 -30.054 188 HA CYS 24 HA CYS 24 10.074 5.923 -27.820 189 HB2 CYS 24 2HB CYS 24 8.679 5.075 -30.184 190 HB3 CYS 24 3HB CYS 24 9.375 3.670 -29.382 191 H SER 25 H SER 25 12.208 5.693 -27.204 192 HA SER 25 HA SER 25 14.027 4.022 -28.676 193 HB2 SER 25 2HB SER 25 15.661 4.706 -27.166 194 HB3 SER 25 3HB SER 25 14.547 6.073 -27.133 195 HG SER 25 HG SER 25 15.158 4.245 -25.168 196 H ARG 26 H ARG 26 15.354 2.656 -26.655 197 HA ARG 26 HA ARG 26 13.675 0.346 -26.398 198 HB2 ARG 26 2HB ARG 26 16.364 0.746 -25.095 199 HB3 ARG 26 3HB ARG 26 15.597 -0.769 -25.552 200 HG2 ARG 26 2HG ARG 26 16.211 -0.587 -27.727 201 HG3 ARG 26 3HG ARG 26 16.137 1.176 -27.716 202 HD2 ARG 26 2HD ARG 26 18.251 1.381 -26.769 203 HD3 ARG 26 3HD ARG 26 18.241 -0.272 -26.155 204 HE ARG 26 HE ARG 26 19.138 -0.951 -28.136 205 HH11 ARG 26 1HH1 ARG 26 17.631 2.152 -28.606 206 HH12 ARG 26 2HH1 ARG 26 18.183 2.319 -30.240 207 HH21 ARG 26 1HH2 ARG 26 19.872 -0.743 -30.286 208 HH22 ARG 26 2HH2 ARG 26 19.457 0.671 -31.195 209 HA PRO 27 HA PRO 27 11.989 1.033 -22.399 210 HB2 PRO 27 2HB PRO 27 11.695 -1.531 -21.556 211 HB3 PRO 27 3HB PRO 27 10.663 -0.802 -22.793 212 HG2 PRO 27 2HG PRO 27 13.030 -2.605 -23.122 213 HG3 PRO 27 3HG PRO 27 11.474 -2.636 -23.970 214 HD2 PRO 27 2HD PRO 27 13.707 -1.564 -25.064 215 HD3 PRO 27 3HD PRO 27 12.081 -0.941 -25.409 216 H GLU 28 H GLU 28 14.832 -1.006 -22.729 217 HA GLU 28 HA GLU 28 15.447 -1.112 -19.947 218 HB2 GLU 28 2HB GLU 28 16.317 -2.823 -21.396 219 HB3 GLU 28 3HB GLU 28 17.118 -1.630 -22.408 220 HG2 GLU 28 2HG GLU 28 17.945 -1.460 -19.633 221 HG3 GLU 28 3HG GLU 28 18.251 -3.046 -20.338 222 H GLU 29 H GLU 29 16.361 0.997 -22.611 223 HA GLU 29 HA GLU 29 18.330 2.436 -21.104 224 HB2 GLU 29 2HB GLU 29 16.938 3.323 -23.633 225 HB3 GLU 29 3HB GLU 29 18.480 3.894 -23.011 226 HG2 GLU 29 2HG GLU 29 18.566 1.053 -23.340 227 HG3 GLU 29 3HG GLU 29 18.017 1.815 -24.831 228 H VAL 30 H VAL 30 14.908 2.734 -21.693 229 HA VAL 30 HA VAL 30 14.514 5.413 -20.996 230 HB VAL 30 HB VAL 30 12.684 3.040 -20.620 231 HG11 VAL 30 1HG1 VAL 30 12.405 5.823 -19.798 232 HG12 VAL 30 2HG1 VAL 30 11.088 5.266 -20.832 233 HG13 VAL 30 3HG1 VAL 30 11.463 4.405 -19.338 234 HG21 VAL 30 1HG2 VAL 30 12.091 3.276 -22.763 235 HG22 VAL 30 2HG2 VAL 30 12.028 5.035 -22.644 236 HG23 VAL 30 3HG2 VAL 30 13.568 4.225 -22.937 237 H GLU 31 H GLU 31 14.825 2.527 -19.001 238 HA GLU 31 HA GLU 31 13.990 3.587 -16.556 239 HB2 GLU 31 2HB GLU 31 14.925 1.702 -15.555 240 HB3 GLU 31 3HB GLU 31 14.587 1.155 -17.191 241 HG2 GLU 31 2HG GLU 31 16.696 0.346 -16.923 242 HG3 GLU 31 3HG GLU 31 17.058 1.925 -17.618 243 H GLU 32 H GLU 32 17.054 3.825 -18.244 244 HA GLU 32 HA GLU 32 18.597 4.828 -16.106 245 HB2 GLU 32 2HB GLU 32 19.182 4.026 -18.608 246 HB3 GLU 32 3HB GLU 32 19.212 5.767 -18.850 247 HG2 GLU 32 2HG GLU 32 20.738 5.757 -16.742 248 HG3 GLU 32 3HG GLU 32 20.975 4.061 -17.158 249 H ARG 33 H ARG 33 16.623 6.416 -18.570 250 HA ARG 33 HA ARG 33 17.339 9.065 -17.993 251 HB2 ARG 33 2HB ARG 33 14.722 7.979 -19.049 252 HB3 ARG 33 3HB ARG 33 15.202 9.670 -19.085 253 HG2 ARG 33 2HG ARG 33 17.319 8.511 -20.314 254 HG3 ARG 33 3HG ARG 33 16.006 7.440 -20.809 255 HD2 ARG 33 2HD ARG 33 14.756 9.656 -21.343 256 HD3 ARG 33 3HD ARG 33 16.372 10.362 -21.335 257 HE ARG 33 HE ARG 33 16.731 9.407 -23.371 258 HH11 ARG 33 1HH1 ARG 33 14.142 7.700 -21.790 259 HH12 ARG 33 2HH1 ARG 33 13.798 6.691 -23.156 260 HH21 ARG 33 1HH2 ARG 33 16.288 8.085 -25.176 261 HH22 ARG 33 2HH2 ARG 33 15.020 6.911 -25.082 262 H ILE 34 H ILE 34 15.071 6.882 -16.470 263 HA ILE 34 HA ILE 34 13.566 8.725 -14.996 264 HB ILE 34 HB ILE 34 14.331 5.925 -14.161 265 HG12 ILE 34 2HG1 ILE 34 11.993 6.929 -15.798 266 HG13 ILE 34 3HG1 ILE 34 13.316 5.924 -16.379 267 HG21 ILE 34 1HG2 ILE 34 12.930 6.115 -12.431 268 HG22 ILE 34 2HG2 ILE 34 13.057 7.854 -12.688 269 HG23 ILE 34 3HG2 ILE 34 11.714 6.955 -13.393 270 HD11 ILE 34 1HD1 ILE 34 10.854 5.136 -15.208 271 HD12 ILE 34 2HD1 ILE 34 12.146 4.127 -15.861 272 HD13 ILE 34 3HD1 ILE 34 12.171 4.605 -14.163 273 H ARG 35 H ARG 35 16.626 7.109 -14.247 274 HA ARG 35 HA ARG 35 16.892 7.996 -11.602 275 HB2 ARG 35 2HB ARG 35 18.716 6.937 -13.686 276 HB3 ARG 35 3HB ARG 35 19.466 7.816 -12.361 277 HG2 ARG 35 2HG ARG 35 17.479 5.819 -11.545 278 HG3 ARG 35 3HG ARG 35 18.915 5.168 -12.337 279 HD2 ARG 35 2HD ARG 35 19.627 7.204 -10.425 280 HD3 ARG 35 3HD ARG 35 18.653 5.946 -9.666 281 HE ARG 35 HE ARG 35 20.529 4.589 -11.118 282 HH11 ARG 35 1HH1 ARG 35 20.613 7.015 -8.623 283 HH12 ARG 35 2HH1 ARG 35 22.124 6.476 -7.968 284 HH21 ARG 35 1HH2 ARG 35 22.519 3.870 -10.266 285 HH22 ARG 35 2HH2 ARG 35 23.207 4.688 -8.904 286 H ARG 36 H ARG 36 17.684 9.526 -14.665 287 HA ARG 36 HA ARG 36 19.239 11.645 -13.691 288 HB2 ARG 36 2HB ARG 36 19.178 11.165 -16.051 289 HB3 ARG 36 3HB ARG 36 17.447 11.466 -16.114 290 HG2 ARG 36 2HG ARG 36 17.817 13.817 -15.625 291 HG3 ARG 36 3HG ARG 36 19.554 13.528 -15.504 292 HD2 ARG 36 2HD ARG 36 19.550 14.152 -17.668 293 HD3 ARG 36 3HD ARG 36 19.054 12.482 -17.940 294 HE ARG 36 HE ARG 36 16.834 14.227 -17.490 295 HH11 ARG 36 1HH1 ARG 36 19.098 13.097 -19.881 296 HH12 ARG 36 2HH1 ARG 36 18.049 13.427 -21.220 297 HH21 ARG 36 1HH2 ARG 36 15.444 14.666 -19.244 298 HH22 ARG 36 2HH2 ARG 36 15.971 14.320 -20.857 299 H ALA 37 H ALA 37 15.743 11.442 -14.300 300 HA ALA 37 HA ALA 37 15.125 14.073 -13.514 301 HB1 ALA 37 1HB ALA 37 13.506 12.930 -14.782 302 HB2 ALA 37 2HB ALA 37 13.478 11.564 -13.665 303 HB3 ALA 37 3HB ALA 37 12.798 13.116 -13.177 304 H LEU 38 H LEU 38 15.527 11.101 -11.699 305 HA LEU 38 HA LEU 38 14.340 11.915 -9.286 306 HB2 LEU 38 2HB LEU 38 14.726 9.720 -9.089 307 HB3 LEU 38 3HB LEU 38 16.092 9.767 -10.201 308 HG LEU 38 HG LEU 38 17.445 10.696 -8.255 309 HD11 LEU 38 1HD1 LEU 38 16.408 11.151 -6.353 310 HD12 LEU 38 2HD1 LEU 38 15.964 9.452 -6.195 311 HD13 LEU 38 3HD1 LEU 38 14.882 10.572 -7.023 312 HD21 LEU 38 1HD2 LEU 38 16.460 7.944 -8.663 313 HD22 LEU 38 2HD2 LEU 38 17.287 8.259 -7.137 314 HD23 LEU 38 3HD2 LEU 38 18.107 8.576 -8.667 315 H LYS 39 H LYS 39 17.432 12.608 -10.710 316 HA LYS 39 HA LYS 39 18.914 13.358 -8.483 317 HB2 LYS 39 2HB LYS 39 19.877 13.183 -10.724 318 HB3 LYS 39 3HB LYS 39 18.935 14.571 -11.253 319 HG2 LYS 39 2HG LYS 39 20.421 15.324 -8.950 320 HG3 LYS 39 3HG LYS 39 21.509 14.529 -10.090 321 HD2 LYS 39 2HD LYS 39 21.492 16.872 -10.586 322 HD3 LYS 39 3HD LYS 39 20.621 16.034 -11.873 323 HE2 LYS 39 2HE LYS 39 18.501 16.656 -10.892 324 HE3 LYS 39 3HE LYS 39 19.320 17.387 -9.512 325 HZ1 LYS 39 1HZ LYS 39 20.422 18.607 -11.698 326 HZ2 LYS 39 2HZ LYS 39 19.261 19.270 -10.662 327 HZ3 LYS 39 3HZ LYS 39 18.778 18.493 -12.085 328 H LYS 40 H LYS 40 16.246 14.939 -10.016 329 HA LYS 40 HA LYS 40 16.649 17.578 -9.180 330 HB2 LYS 40 2HB LYS 40 14.914 16.827 -10.803 331 HB3 LYS 40 3HB LYS 40 14.004 16.141 -9.464 332 HG2 LYS 40 2HG LYS 40 13.830 18.392 -8.470 333 HG3 LYS 40 3HG LYS 40 14.661 19.050 -9.881 334 HD2 LYS 40 2HD LYS 40 12.744 19.132 -11.003 335 HD3 LYS 40 3HD LYS 40 12.499 17.401 -10.758 336 HE2 LYS 40 2HE LYS 40 11.726 19.588 -8.828 337 HE3 LYS 40 3HE LYS 40 10.623 18.713 -9.889 338 HZ1 LYS 40 1HZ LYS 40 11.254 16.658 -8.735 339 HZ2 LYS 40 2HZ LYS 40 10.551 17.785 -7.687 340 HZ3 LYS 40 3HZ LYS 40 12.227 17.550 -7.676 341 H MET 41 H MET 41 15.829 14.766 -7.391 342 HA MET 41 HA MET 41 14.902 16.353 -5.108 343 HB2 MET 41 2HB MET 41 15.020 13.352 -5.184 344 HB3 MET 41 3HB MET 41 13.982 14.388 -4.213 345 HG2 MET 41 2HG MET 41 13.271 15.056 -6.774 346 HG3 MET 41 3HG MET 41 13.594 13.328 -6.895 347 HE1 MET 41 1HE MET 41 10.517 15.724 -4.839 348 HE2 MET 41 2HE MET 41 11.425 15.043 -3.489 349 HE3 MET 41 3HE MET 41 12.260 15.977 -4.732 350 H GLY 42 H GLY 42 17.617 14.586 -6.282 351 HA2 GLY 42 2HA GLY 42 19.741 14.366 -5.426 352 HA3 GLY 42 3HA GLY 42 19.271 15.474 -4.145 353 H ASP 43 H ASP 43 17.030 13.082 -4.109 354 HA ASP 43 HA ASP 43 18.545 11.551 -2.098 355 HB2 ASP 43 2HB ASP 43 15.868 12.734 -2.071 356 HB3 ASP 43 3HB ASP 43 15.883 11.043 -1.580 357 H THR 44 H THR 44 19.318 10.131 -3.756 358 HA THR 44 HA THR 44 17.353 8.510 -5.165 359 HB THR 44 HB THR 44 19.120 7.641 -6.454 360 HG1 THR 44 HG1 THR 44 21.383 8.317 -5.653 361 HG21 THR 44 1HG2 THR 44 18.759 10.359 -6.260 362 HG22 THR 44 2HG2 THR 44 19.672 9.535 -7.524 363 HG23 THR 44 3HG2 THR 44 20.508 10.189 -6.116 364 H SER 45 H SER 45 18.130 8.458 -2.140 365 HA SER 45 HA SER 45 19.165 5.840 -1.692 366 HB2 SER 45 2HB SER 45 19.208 6.445 0.491 367 HB3 SER 45 3HB SER 45 18.847 8.057 -0.127 368 HG SER 45 HG SER 45 17.088 7.918 0.996 369 H CYS 46 H CYS 46 15.915 7.248 -1.656 370 HA CYS 46 HA CYS 46 14.722 4.644 -1.139 371 HB2 CYS 46 2HB CYS 46 13.867 6.746 -0.059 372 HB3 CYS 46 3HB CYS 46 13.330 7.278 -1.649 373 H PHE 47 H PHE 47 15.415 6.738 -3.786 374 HA PHE 47 HA PHE 47 13.460 5.688 -5.589 375 HB2 PHE 47 2HB PHE 47 14.826 7.938 -5.666 376 HB3 PHE 47 3HB PHE 47 15.995 6.958 -6.547 377 HD1 PHE 47 HD1 PHE 47 13.016 8.878 -6.766 378 HD2 PHE 47 HD2 PHE 47 15.141 5.676 -8.595 379 HE1 PHE 47 HE1 PHE 47 11.722 9.206 -8.833 380 HE2 PHE 47 HE2 PHE 47 13.852 5.999 -10.665 381 HZ PHE 47 HZ PHE 47 12.140 7.766 -10.787 382 H ASP 48 H ASP 48 16.740 4.868 -4.713 383 HA ASP 48 HA ASP 48 17.512 3.299 -6.859 384 HB2 ASP 48 2HB ASP 48 18.929 3.928 -4.883 385 HB3 ASP 48 3HB ASP 48 18.098 2.680 -3.959 386 H GLU 49 H GLU 49 15.366 2.533 -4.187 387 HA GLU 49 HA GLU 49 15.180 -0.257 -4.830 388 HB2 GLU 49 2HB GLU 49 13.606 1.549 -3.000 389 HB3 GLU 49 3HB GLU 49 13.204 -0.148 -3.223 390 HG2 GLU 49 2HG GLU 49 16.014 0.401 -2.568 391 HG3 GLU 49 3HG GLU 49 14.849 0.793 -1.305 392 H ILE 50 H ILE 50 13.133 2.593 -5.331 393 HA ILE 50 HA ILE 50 11.022 1.193 -6.611 394 HB ILE 50 HB ILE 50 10.038 3.252 -7.027 395 HG12 ILE 50 2HG1 ILE 50 11.746 5.346 -6.814 396 HG13 ILE 50 3HG1 ILE 50 12.825 4.131 -7.491 397 HG21 ILE 50 1HG2 ILE 50 11.714 4.368 -4.878 398 HG22 ILE 50 2HG2 ILE 50 9.967 4.150 -4.960 399 HG23 ILE 50 3HG2 ILE 50 11.008 2.785 -4.556 400 HD11 ILE 50 1HD1 ILE 50 12.017 4.583 -9.494 401 HD12 ILE 50 2HD1 ILE 50 10.431 4.017 -8.968 402 HD13 ILE 50 3HD1 ILE 50 10.861 5.719 -8.799 403 H LEU 51 H LEU 51 14.035 2.541 -7.711 404 HA LEU 51 HA LEU 51 13.530 2.814 -10.436 405 HB2 LEU 51 2HB LEU 51 15.738 3.188 -10.631 406 HB3 LEU 51 3HB LEU 51 15.667 3.233 -8.871 407 HG LEU 51 HG LEU 51 16.221 0.696 -9.049 408 HD11 LEU 51 1HD1 LEU 51 16.918 -0.153 -10.997 409 HD12 LEU 51 2HD1 LEU 51 17.788 1.316 -11.440 410 HD13 LEU 51 3HD1 LEU 51 16.051 1.201 -11.722 411 HD21 LEU 51 1HD2 LEU 51 17.765 3.062 -8.808 412 HD22 LEU 51 2HD2 LEU 51 18.692 1.905 -9.765 413 HD23 LEU 51 3HD2 LEU 51 18.106 1.456 -8.162 414 H LYS 52 H LYS 52 14.202 -0.035 -8.517 415 HA LYS 52 HA LYS 52 14.692 -1.791 -10.704 416 HB2 LYS 52 2HB LYS 52 14.558 -1.964 -7.825 417 HB3 LYS 52 3HB LYS 52 13.696 -3.310 -8.558 418 HG2 LYS 52 2HG LYS 52 16.009 -3.893 -8.123 419 HG3 LYS 52 3HG LYS 52 15.683 -3.881 -9.857 420 HD2 LYS 52 2HD LYS 52 17.031 -2.093 -10.234 421 HD3 LYS 52 3HD LYS 52 16.665 -1.353 -8.674 422 HE2 LYS 52 2HE LYS 52 18.008 -3.607 -7.926 423 HE3 LYS 52 3HE LYS 52 18.816 -3.194 -9.437 424 HZ1 LYS 52 1HZ LYS 52 18.970 -0.865 -8.462 425 HZ2 LYS 52 2HZ LYS 52 19.988 -2.045 -7.806 426 HZ3 LYS 52 3HZ LYS 52 18.591 -1.577 -6.975 427 H GLY 53 H GLY 53 11.827 -1.070 -8.734 428 HA2 GLY 53 2HA GLY 53 10.157 -2.922 -10.156 429 HA3 GLY 53 3HA GLY 53 9.624 -1.719 -8.991 430 H LEU 54 H LEU 54 11.265 0.224 -10.813 431 HA LEU 54 HA LEU 54 8.976 1.105 -12.308 432 HB2 LEU 54 2HB LEU 54 11.261 2.295 -11.263 433 HB3 LEU 54 3HB LEU 54 11.468 2.402 -13.010 434 HG LEU 54 HG LEU 54 9.137 3.481 -11.426 435 HD11 LEU 54 1HD1 LEU 54 11.715 4.552 -12.018 436 HD12 LEU 54 2HD1 LEU 54 10.378 5.292 -11.139 437 HD13 LEU 54 3HD1 LEU 54 10.489 5.473 -12.889 438 HD21 LEU 54 1HD2 LEU 54 8.299 2.828 -13.539 439 HD22 LEU 54 2HD2 LEU 54 9.729 3.432 -14.376 440 HD23 LEU 54 3HD2 LEU 54 8.592 4.564 -13.642 441 H LYS 55 H LYS 55 9.917 -1.469 -13.095 442 HA LYS 55 HA LYS 55 11.149 -1.009 -15.711 443 HB2 LYS 55 2HB LYS 55 11.424 -3.439 -15.803 444 HB3 LYS 55 3HB LYS 55 12.110 -2.784 -14.322 445 HG2 LYS 55 2HG LYS 55 9.592 -3.388 -13.511 446 HG3 LYS 55 3HG LYS 55 9.886 -4.651 -14.709 447 HD2 LYS 55 2HD LYS 55 12.237 -4.421 -13.165 448 HD3 LYS 55 3HD LYS 55 10.881 -4.432 -12.034 449 HE2 LYS 55 2HE LYS 55 11.608 -6.694 -12.414 450 HE3 LYS 55 3HE LYS 55 10.024 -6.468 -13.154 451 HZ1 LYS 55 1HZ LYS 55 11.877 -5.835 -15.100 452 HZ2 LYS 55 2HZ LYS 55 10.902 -7.215 -15.029 453 HZ3 LYS 55 3HZ LYS 55 12.459 -7.245 -14.369 454 H GLU 56 H GLU 56 8.352 -0.283 -15.042 455 HA GLU 56 HA GLU 56 6.935 -2.055 -16.919 456 HB2 GLU 56 2HB GLU 56 6.032 -0.476 -14.545 457 HB3 GLU 56 3HB GLU 56 4.891 -0.791 -15.845 458 HG2 GLU 56 2HG GLU 56 4.630 -2.463 -14.157 459 HG3 GLU 56 3HG GLU 56 5.330 -3.208 -15.593 460 H ILE 57 H ILE 57 8.389 -0.513 -18.353 461 HA ILE 57 HA ILE 57 7.281 2.099 -18.825 462 HB ILE 57 HB ILE 57 9.673 1.624 -19.209 463 HG12 ILE 57 2HG1 ILE 57 9.775 2.656 -21.532 464 HG13 ILE 57 3HG1 ILE 57 8.020 2.527 -21.569 465 HG21 ILE 57 1HG2 ILE 57 8.764 -0.651 -20.467 466 HG22 ILE 57 2HG2 ILE 57 9.318 0.358 -21.802 467 HG23 ILE 57 3HG2 ILE 57 10.420 -0.046 -20.487 468 HD11 ILE 57 1HD1 ILE 57 9.143 4.744 -20.842 469 HD12 ILE 57 2HD1 ILE 57 7.738 4.145 -19.959 470 HD13 ILE 57 3HD1 ILE 57 9.357 3.920 -19.297 471 H LYS 58 H LYS 58 5.764 2.681 -20.256 472 HA LYS 58 HA LYS 58 4.846 0.672 -22.204 473 HB2 LYS 58 2HB LYS 58 3.252 2.394 -20.333 474 HB3 LYS 58 3HB LYS 58 2.550 1.849 -21.851 475 HG2 LYS 58 2HG LYS 58 1.860 0.125 -20.584 476 HG3 LYS 58 3HG LYS 58 3.481 -0.489 -20.919 477 HD2 LYS 58 2HD LYS 58 4.046 0.976 -18.768 478 HD3 LYS 58 3HD LYS 58 2.348 0.640 -18.419 479 HE2 LYS 58 2HE LYS 58 3.384 -1.801 -19.243 480 HE3 LYS 58 3HE LYS 58 4.660 -1.100 -18.248 481 HZ1 LYS 58 1HZ LYS 58 2.826 -0.662 -16.572 482 HZ2 LYS 58 2HZ LYS 58 3.309 -2.271 -16.770 483 HZ3 LYS 58 3HZ LYS 58 1.874 -1.726 -17.480 484 H CYS 59 H CYS 59 6.720 2.422 -23.002 485 HA CYS 59 HA CYS 59 6.100 4.932 -23.867 486 HB2 CYS 59 2HB CYS 59 8.300 3.898 -24.193 487 HB3 CYS 59 3HB CYS 59 7.625 2.829 -25.419 488 H GLY 60 H GLY 60 4.204 5.528 -24.725 489 HA2 GLY 60 2HA GLY 60 2.685 5.834 -26.449 490 HA3 GLY 60 3HA GLY 60 3.510 4.576 -27.357 491 H GLY 61 H GLY 61 3.285 2.340 -26.012 492 HA2 GLY 61 2HA GLY 61 0.613 2.010 -24.929 493 HA3 GLY 61 3HA GLY 61 0.876 1.257 -26.494 494 H SER 62 H SER 62 1.477 -0.797 -26.447 495 HA SER 62 HA SER 62 2.779 -1.809 -24.005 496 HB2 SER 62 2HB SER 62 0.938 -3.137 -23.989 497 HB3 SER 62 3HB SER 62 0.607 -2.868 -25.700 498 HG SER 62 HG SER 62 1.227 -5.032 -25.262 499 H TRP 63 H TRP 63 4.553 -3.147 -24.177 500 HA TRP 63 HA TRP 63 5.516 -4.224 -26.607 501 HB2 TRP 63 2HB TRP 63 7.444 -2.801 -26.999 502 HB3 TRP 63 3HB TRP 63 5.976 -1.830 -27.065 503 HD1 TRP 63 HD1 TRP 63 6.207 -2.117 -23.574 504 HE1 TRP 63 HE1 TRP 63 7.587 -0.239 -22.482 505 HE3 TRP 63 HE3 TRP 63 8.669 -0.405 -27.715 506 HZ2 TRP 63 HZ2 TRP 63 9.469 1.711 -23.271 507 HZ3 TRP 63 HZ3 TRP 63 10.242 1.470 -27.460 508 HH2 TRP 63 HH2 TRP 63 10.632 2.505 -25.284 509 H LEU 64 H LEU 64 8.048 -4.695 -26.279 510 HA LEU 64 HA LEU 64 8.627 -5.292 -23.483 511 HB2 LEU 64 2HB LEU 64 7.610 -7.222 -25.279 512 HB3 LEU 64 3HB LEU 64 9.316 -7.591 -25.034 513 HG LEU 64 HG LEU 64 7.829 -8.833 -23.511 514 HD11 LEU 64 1HD1 LEU 64 9.312 -8.750 -21.803 515 HD12 LEU 64 2HD1 LEU 64 9.271 -6.990 -21.703 516 HD13 LEU 64 3HD1 LEU 64 10.219 -7.780 -22.964 517 HD21 LEU 64 1HD2 LEU 64 7.257 -6.211 -22.161 518 HD22 LEU 64 2HD2 LEU 64 6.523 -7.786 -21.860 519 HD23 LEU 64 3HD2 LEU 64 6.165 -6.915 -23.352 520 H GLU 65 H GLU 65 10.857 -5.945 -23.128 521 HA GLU 65 HA GLU 65 12.644 -4.520 -24.894 522 HB2 GLU 65 2HB GLU 65 14.288 -4.772 -23.202 523 HB3 GLU 65 3HB GLU 65 12.772 -4.462 -22.369 524 HG2 GLU 65 2HG GLU 65 12.534 -6.873 -21.948 525 HG3 GLU 65 3HG GLU 65 14.094 -7.142 -22.725 526 H HIS 66 H HIS 66 14.123 -5.365 -26.261 527 HA HIS 66 HA HIS 66 15.163 -7.965 -26.176 528 HB2 HIS 66 2HB HIS 66 13.981 -8.845 -28.254 529 HB3 HIS 66 3HB HIS 66 13.043 -8.844 -26.764 530 HD1 HIS 66 HD1 HIS 66 10.780 -7.872 -26.963 531 HD2 HIS 66 HD2 HIS 66 13.344 -6.432 -29.898 532 HE1 HIS 66 HE1 HIS 66 9.361 -6.410 -28.437 Start of MODEL 3 1 H1 ALA 1 H ALA 1 1.515 -0.342 0.404 2 HA ALA 1 HA ALA 1 1.782 -1.139 -2.154 3 HB1 ALA 1 1HB ALA 1 0.261 1.241 -2.175 4 HB2 ALA 1 2HB ALA 1 1.841 1.621 -2.862 5 HB3 ALA 1 3HB ALA 1 0.869 0.320 -3.551 6 H SER 2 H SER 2 3.589 0.422 -3.376 7 HA SER 2 HA SER 2 5.909 0.085 -1.842 8 HB2 SER 2 2HB SER 2 5.271 0.860 -4.503 9 HB3 SER 2 3HB SER 2 6.376 2.069 -3.849 10 HG SER 2 HG SER 2 7.927 0.653 -3.901 11 HA PRO 3 HA PRO 3 6.128 3.683 0.672 12 HB2 PRO 3 2HB PRO 3 8.821 3.925 0.920 13 HB3 PRO 3 3HB PRO 3 7.891 2.663 1.736 14 HG2 PRO 3 2HG PRO 3 9.493 2.504 -0.788 15 HG3 PRO 3 3HG PRO 3 9.408 1.352 0.557 16 HD2 PRO 3 2HD PRO 3 8.046 0.995 -1.757 17 HD3 PRO 3 3HD PRO 3 7.428 0.436 -0.189 18 H CYS 4 H CYS 4 8.137 3.598 -2.240 19 HA CYS 4 HA CYS 4 7.802 6.518 -2.468 20 HB2 CYS 4 2HB CYS 4 10.168 4.774 -3.107 21 HB3 CYS 4 3HB CYS 4 9.958 6.336 -3.890 22 H ASP 5 H ASP 5 5.940 4.637 -3.449 23 HA ASP 5 HA ASP 5 6.346 4.036 -6.187 24 HB2 ASP 5 2HB ASP 5 4.429 3.422 -4.280 25 HB3 ASP 5 3HB ASP 5 3.553 4.421 -5.437 26 H LYS 6 H LYS 6 5.166 6.847 -4.494 27 HA LYS 6 HA LYS 6 3.862 8.146 -6.612 28 HB2 LYS 6 2HB LYS 6 4.298 10.230 -5.304 29 HB3 LYS 6 3HB LYS 6 3.564 8.937 -4.364 30 HG2 LYS 6 2HG LYS 6 6.162 8.443 -3.881 31 HG3 LYS 6 3HG LYS 6 6.217 10.191 -4.119 32 HD2 LYS 6 2HD LYS 6 5.828 9.966 -1.833 33 HD3 LYS 6 3HD LYS 6 4.218 10.258 -2.495 34 HE2 LYS 6 2HE LYS 6 3.616 7.989 -2.299 35 HE3 LYS 6 3HE LYS 6 5.287 7.484 -2.053 36 HZ1 LYS 6 1HZ LYS 6 3.582 7.764 -0.066 37 HZ2 LYS 6 2HZ LYS 6 4.171 9.349 -0.109 38 HZ3 LYS 6 3HZ LYS 6 5.239 8.057 0.120 39 H GLN 7 H GLN 7 7.245 7.901 -5.753 40 HA GLN 7 HA GLN 7 8.187 9.982 -7.434 41 HB2 GLN 7 2HB GLN 7 9.422 7.688 -5.985 42 HB3 GLN 7 3HB GLN 7 10.360 8.467 -7.252 43 HG2 GLN 7 2HG GLN 7 10.936 9.453 -5.157 44 HG3 GLN 7 3HG GLN 7 10.029 10.632 -6.102 45 HE21 GLN 7 1HE2 GLN 7 8.919 7.885 -4.172 46 HE22 GLN 7 2HE2 GLN 7 7.937 8.812 -3.095 47 H LYS 8 H LYS 8 7.407 6.622 -7.952 48 HA LYS 8 HA LYS 8 8.754 6.302 -10.426 49 HB2 LYS 8 2HB LYS 8 6.401 4.844 -9.218 50 HB3 LYS 8 3HB LYS 8 7.179 4.359 -10.719 51 HG2 LYS 8 2HG LYS 8 9.030 3.561 -9.669 52 HG3 LYS 8 3HG LYS 8 8.901 4.706 -8.332 53 HD2 LYS 8 2HD LYS 8 8.006 3.078 -7.107 54 HD3 LYS 8 3HD LYS 8 6.608 3.099 -8.186 55 HE2 LYS 8 2HE LYS 8 8.416 1.639 -9.621 56 HE3 LYS 8 3HE LYS 8 8.798 1.165 -7.966 57 HZ1 LYS 8 1HZ LYS 8 6.077 1.098 -8.064 58 HZ2 LYS 8 2HZ LYS 8 7.105 -0.242 -8.157 59 HZ3 LYS 8 3HZ LYS 8 6.532 0.485 -9.574 60 H ASN 9 H ASN 9 5.441 7.226 -9.577 61 HA ASN 9 HA ASN 9 4.567 7.431 -12.290 62 HB2 ASN 9 2HB ASN 9 3.176 7.115 -10.092 63 HB3 ASN 9 3HB ASN 9 3.220 8.875 -10.033 64 HD21 ASN 9 1HD2 ASN 9 2.719 9.871 -12.284 65 HD22 ASN 9 2HD2 ASN 9 1.309 9.238 -13.056 66 H TYR 10 H TYR 10 5.782 9.696 -9.877 67 HA TYR 10 HA TYR 10 5.238 12.079 -11.251 68 HB2 TYR 10 2HB TYR 10 5.838 12.405 -9.031 69 HB3 TYR 10 3HB TYR 10 7.195 11.287 -9.125 70 HD1 TYR 10 HD1 TYR 10 6.063 14.598 -10.421 71 HD2 TYR 10 HD2 TYR 10 9.351 12.125 -9.334 72 HE1 TYR 10 HE1 TYR 10 7.592 16.494 -10.756 73 HE2 TYR 10 HE2 TYR 10 10.889 14.015 -9.666 74 HH TYR 10 HH TYR 10 10.707 16.285 -11.216 75 H ILE 11 H ILE 11 8.018 9.901 -11.366 76 HA ILE 11 HA ILE 11 9.438 11.569 -13.247 77 HB ILE 11 HB ILE 11 10.028 8.753 -12.327 78 HG12 ILE 11 2HG1 ILE 11 10.074 10.509 -10.544 79 HG13 ILE 11 3HG1 ILE 11 11.633 9.741 -10.824 80 HG21 ILE 11 1HG2 ILE 11 11.342 10.576 -14.243 81 HG22 ILE 11 2HG2 ILE 11 12.398 9.714 -13.126 82 HG23 ILE 11 3HG2 ILE 11 11.315 8.813 -14.186 83 HD11 ILE 11 1HD1 ILE 11 12.532 11.630 -11.794 84 HD12 ILE 11 2HD1 ILE 11 10.951 12.299 -12.200 85 HD13 ILE 11 3HD1 ILE 11 11.506 12.300 -10.526 86 H ASP 12 H ASP 12 7.657 8.511 -13.324 87 HA ASP 12 HA ASP 12 8.160 7.882 -16.022 88 HB2 ASP 12 2HB ASP 12 7.261 6.283 -14.341 89 HB3 ASP 12 3HB ASP 12 5.729 7.150 -14.378 90 H LYS 13 H LYS 13 5.818 9.972 -14.485 91 HA LYS 13 HA LYS 13 4.271 10.341 -16.898 92 HB2 LYS 13 2HB LYS 13 2.834 11.678 -15.615 93 HB3 LYS 13 3HB LYS 13 3.392 10.450 -14.487 94 HG2 LYS 13 2HG LYS 13 3.724 12.232 -13.158 95 HG3 LYS 13 3HG LYS 13 5.246 12.336 -14.045 96 HD2 LYS 13 2HD LYS 13 4.508 14.100 -15.356 97 HD3 LYS 13 3HD LYS 13 2.806 13.723 -15.083 98 HE2 LYS 13 2HE LYS 13 2.878 14.586 -12.877 99 HE3 LYS 13 3HE LYS 13 4.639 14.671 -12.893 100 HZ1 LYS 13 1HZ LYS 13 3.939 16.216 -14.997 101 HZ2 LYS 13 2HZ LYS 13 4.322 16.792 -13.454 102 HZ3 LYS 13 3HZ LYS 13 2.705 16.551 -13.889 103 H GLN 14 H GLN 14 6.924 11.888 -15.273 104 HA GLN 14 HA GLN 14 6.734 14.262 -16.956 105 HB2 GLN 14 2HB GLN 14 8.343 13.498 -14.554 106 HB3 GLN 14 3HB GLN 14 8.936 14.776 -15.607 107 HG2 GLN 14 2HG GLN 14 6.186 14.782 -14.396 108 HG3 GLN 14 3HG GLN 14 7.589 15.525 -13.630 109 HE21 GLN 14 1HE2 GLN 14 5.389 15.657 -16.330 110 HE22 GLN 14 2HE2 GLN 14 5.755 17.277 -16.805 111 H LEU 15 H LEU 15 8.133 11.212 -17.059 112 HA LEU 15 HA LEU 15 10.304 12.104 -18.827 113 HB2 LEU 15 2HB LEU 15 10.867 10.644 -16.891 114 HB3 LEU 15 3HB LEU 15 9.870 9.381 -17.610 115 HG LEU 15 HG LEU 15 11.910 10.376 -19.435 116 HD11 LEU 15 1HD1 LEU 15 12.667 9.805 -16.683 117 HD12 LEU 15 2HD1 LEU 15 13.597 10.544 -17.986 118 HD13 LEU 15 3HD1 LEU 15 13.502 8.788 -17.857 119 HD21 LEU 15 1HD2 LEU 15 10.405 8.224 -19.383 120 HD22 LEU 15 2HD2 LEU 15 11.729 7.584 -18.409 121 HD23 LEU 15 3HD2 LEU 15 12.040 8.170 -20.044 122 H LEU 16 H LEU 16 7.192 10.907 -18.919 123 HA LEU 16 HA LEU 16 7.396 9.139 -21.148 124 HB2 LEU 16 2HB LEU 16 5.269 10.313 -19.511 125 HB3 LEU 16 3HB LEU 16 4.816 10.036 -21.192 126 HG LEU 16 HG LEU 16 6.069 7.819 -19.632 127 HD11 LEU 16 1HD1 LEU 16 4.126 7.215 -18.546 128 HD12 LEU 16 2HD1 LEU 16 3.107 8.203 -19.592 129 HD13 LEU 16 3HD1 LEU 16 4.115 8.970 -18.365 130 HD21 LEU 16 1HD2 LEU 16 5.580 6.705 -21.485 131 HD22 LEU 16 2HD2 LEU 16 4.894 8.169 -22.192 132 HD23 LEU 16 3HD2 LEU 16 3.869 7.073 -21.263 133 HA PRO 17 HA PRO 17 6.055 13.256 -23.407 134 HB2 PRO 17 2HB PRO 17 7.191 15.481 -22.343 135 HB3 PRO 17 3HB PRO 17 5.594 14.894 -21.863 136 HG2 PRO 17 2HG PRO 17 8.234 14.534 -20.498 137 HG3 PRO 17 3HG PRO 17 6.654 14.924 -19.794 138 HD2 PRO 17 2HD PRO 17 7.694 12.425 -19.743 139 HD3 PRO 17 3HD PRO 17 5.948 12.730 -19.846 140 H ILE 18 H ILE 18 9.224 13.127 -21.809 141 HA ILE 18 HA ILE 18 10.611 14.161 -24.107 142 HB ILE 18 HB ILE 18 12.663 13.654 -22.856 143 HG12 ILE 18 2HG1 ILE 18 10.840 12.598 -20.688 144 HG13 ILE 18 3HG1 ILE 18 11.761 11.569 -21.780 145 HG21 ILE 18 1HG2 ILE 18 10.451 15.268 -21.782 146 HG22 ILE 18 2HG2 ILE 18 11.769 14.944 -20.657 147 HG23 ILE 18 3HG2 ILE 18 12.100 15.733 -22.199 148 HD11 ILE 18 1HD1 ILE 18 13.699 13.209 -20.813 149 HD12 ILE 18 2HD1 ILE 18 12.622 13.061 -19.424 150 HD13 ILE 18 3HD1 ILE 18 13.302 11.616 -20.170 151 H VAL 19 H VAL 19 9.495 11.099 -23.107 152 HA VAL 19 HA VAL 19 11.464 9.551 -24.537 153 HB VAL 19 HB VAL 19 8.899 8.849 -23.134 154 HG11 VAL 19 1HG1 VAL 19 10.360 7.302 -25.174 155 HG12 VAL 19 2HG1 VAL 19 9.933 6.427 -23.702 156 HG13 VAL 19 3HG1 VAL 19 8.675 7.205 -24.663 157 HG21 VAL 19 1HG2 VAL 19 11.461 9.172 -22.227 158 HG22 VAL 19 2HG2 VAL 19 10.209 8.221 -21.428 159 HG23 VAL 19 3HG2 VAL 19 11.373 7.431 -22.492 160 H ASN 20 H ASN 20 7.997 10.255 -24.971 161 HA ASN 20 HA ASN 20 7.976 9.075 -27.600 162 HB2 ASN 20 2HB ASN 20 6.037 9.276 -25.824 163 HB3 ASN 20 3HB ASN 20 5.769 10.833 -26.603 164 HD21 ASN 20 1HD2 ASN 20 4.423 8.049 -26.515 165 HD22 ASN 20 2HD2 ASN 20 4.014 7.769 -28.170 166 H LYS 21 H LYS 21 9.017 11.988 -26.388 167 HA LYS 21 HA LYS 21 8.102 13.855 -28.273 168 HB2 LYS 21 2HB LYS 21 10.005 13.780 -26.135 169 HB3 LYS 21 3HB LYS 21 10.755 14.541 -27.533 170 HG2 LYS 21 2HG LYS 21 8.148 15.611 -27.271 171 HG3 LYS 21 3HG LYS 21 8.912 15.645 -25.680 172 HD2 LYS 21 2HD LYS 21 9.693 17.625 -26.495 173 HD3 LYS 21 3HD LYS 21 10.958 16.558 -27.108 174 HE2 LYS 21 2HE LYS 21 8.522 17.085 -28.758 175 HE3 LYS 21 3HE LYS 21 9.814 18.283 -28.696 176 HZ1 LYS 21 1HZ LYS 21 9.711 15.822 -30.119 177 HZ2 LYS 21 2HZ LYS 21 11.077 15.884 -29.123 178 HZ3 LYS 21 3HZ LYS 21 10.810 17.100 -30.267 179 H ALA 22 H ALA 22 10.981 11.783 -28.259 180 HA ALA 22 HA ALA 22 11.789 12.718 -30.879 181 HB1 ALA 22 1HB ALA 22 13.183 11.743 -28.754 182 HB2 ALA 22 2HB ALA 22 13.119 10.335 -29.815 183 HB3 ALA 22 3HB ALA 22 13.801 11.851 -30.403 184 H GLY 23 H GLY 23 10.252 9.899 -29.447 185 HA2 GLY 23 2HA GLY 23 8.805 9.104 -31.623 186 HA3 GLY 23 3HA GLY 23 10.364 8.325 -31.848 187 H CYS 24 H CYS 24 11.104 6.839 -30.215 188 HA CYS 24 HA CYS 24 9.814 6.009 -27.955 189 HB2 CYS 24 2HB CYS 24 8.260 5.362 -30.277 190 HB3 CYS 24 3HB CYS 24 8.822 3.872 -29.528 191 H SER 25 H SER 25 11.946 5.555 -27.430 192 HA SER 25 HA SER 25 13.448 3.615 -28.959 193 HB2 SER 25 2HB SER 25 15.283 4.195 -27.650 194 HB3 SER 25 3HB SER 25 14.343 5.688 -27.631 195 HG SER 25 HG SER 25 15.117 4.226 -25.567 196 H ARG 26 H ARG 26 14.787 2.245 -26.942 197 HA ARG 26 HA ARG 26 12.893 0.171 -26.378 198 HB2 ARG 26 2HB ARG 26 14.845 -0.943 -25.281 199 HB3 ARG 26 3HB ARG 26 15.131 -0.472 -26.951 200 HG2 ARG 26 2HG ARG 26 15.996 1.720 -25.536 201 HG3 ARG 26 3HG ARG 26 16.481 0.362 -24.518 202 HD2 ARG 26 2HD ARG 26 17.110 -0.404 -27.131 203 HD3 ARG 26 3HD ARG 26 17.603 1.285 -27.008 204 HE ARG 26 HE ARG 26 19.321 0.626 -25.663 205 HH11 ARG 26 1HH1 ARG 26 16.891 -1.867 -25.663 206 HH12 ARG 26 2HH1 ARG 26 17.840 -2.974 -24.727 207 HH21 ARG 26 1HH2 ARG 26 20.580 -0.822 -24.430 208 HH22 ARG 26 2HH2 ARG 26 19.938 -2.378 -24.025 209 HA PRO 27 HA PRO 27 11.601 1.342 -22.344 210 HB2 PRO 27 2HB PRO 27 11.075 -1.103 -21.286 211 HB3 PRO 27 3HB PRO 27 10.046 -0.341 -22.505 212 HG2 PRO 27 2HG PRO 27 12.155 -2.437 -22.849 213 HG3 PRO 27 3HG PRO 27 10.546 -2.338 -23.587 214 HD2 PRO 27 2HD PRO 27 12.800 -1.624 -24.907 215 HD3 PRO 27 3HD PRO 27 11.235 -0.833 -25.191 216 H GLU 28 H GLU 28 14.163 -1.033 -22.711 217 HA GLU 28 HA GLU 28 14.967 -1.119 -19.998 218 HB2 GLU 28 2HB GLU 28 15.647 -2.876 -21.495 219 HB3 GLU 28 3HB GLU 28 16.461 -1.729 -22.549 220 HG2 GLU 28 2HG GLU 28 18.063 -2.962 -21.223 221 HG3 GLU 28 3HG GLU 28 18.084 -1.253 -20.792 222 H GLU 29 H GLU 29 15.929 0.886 -22.739 223 HA GLU 29 HA GLU 29 18.018 2.228 -21.312 224 HB2 GLU 29 2HB GLU 29 18.309 2.182 -23.642 225 HB3 GLU 29 3HB GLU 29 16.651 2.679 -23.949 226 HG2 GLU 29 2HG GLU 29 18.216 4.465 -24.450 227 HG3 GLU 29 3HG GLU 29 17.146 4.909 -23.121 228 H VAL 30 H VAL 30 14.609 2.749 -21.839 229 HA VAL 30 HA VAL 30 14.425 5.460 -21.164 230 HB VAL 30 HB VAL 30 12.416 3.245 -20.734 231 HG11 VAL 30 1HG1 VAL 30 11.093 5.686 -21.050 232 HG12 VAL 30 2HG1 VAL 30 11.214 4.717 -19.580 233 HG13 VAL 30 3HG1 VAL 30 12.385 5.998 -19.892 234 HG21 VAL 30 1HG2 VAL 30 11.901 5.209 -22.819 235 HG22 VAL 30 2HG2 VAL 30 13.387 4.298 -23.089 236 HG23 VAL 30 3HG2 VAL 30 11.856 3.447 -22.888 237 H GLU 31 H GLU 31 14.555 2.571 -19.158 238 HA GLU 31 HA GLU 31 13.811 3.691 -16.711 239 HB2 GLU 31 2HB GLU 31 13.995 1.302 -16.953 240 HB3 GLU 31 3HB GLU 31 15.707 1.424 -17.334 241 HG2 GLU 31 2HG GLU 31 16.160 2.221 -15.075 242 HG3 GLU 31 3HG GLU 31 14.444 2.112 -14.690 243 H GLU 32 H GLU 32 16.881 3.706 -18.412 244 HA GLU 32 HA GLU 32 18.516 4.603 -16.311 245 HB2 GLU 32 2HB GLU 32 18.814 4.050 -19.060 246 HB3 GLU 32 3HB GLU 32 19.363 5.705 -18.832 247 HG2 GLU 32 2HG GLU 32 20.686 4.676 -16.828 248 HG3 GLU 32 3HG GLU 32 20.462 3.172 -17.719 249 H ARG 33 H ARG 33 16.634 6.374 -18.733 250 HA ARG 33 HA ARG 33 17.499 8.956 -18.061 251 HB2 ARG 33 2HB ARG 33 14.866 8.024 -19.217 252 HB3 ARG 33 3HB ARG 33 15.371 9.706 -19.132 253 HG2 ARG 33 2HG ARG 33 17.268 9.225 -20.578 254 HG3 ARG 33 3HG ARG 33 16.796 7.526 -20.643 255 HD2 ARG 33 2HD ARG 33 15.372 7.942 -22.295 256 HD3 ARG 33 3HD ARG 33 14.556 9.169 -21.328 257 HE ARG 33 HE ARG 33 17.002 10.094 -22.508 258 HH11 ARG 33 1HH1 ARG 33 13.596 9.595 -23.030 259 HH12 ARG 33 2HH1 ARG 33 13.475 10.806 -24.262 260 HH21 ARG 33 1HH2 ARG 33 16.855 11.691 -24.129 261 HH22 ARG 33 2HH2 ARG 33 15.329 11.997 -24.888 262 H ILE 34 H ILE 34 15.109 6.854 -16.622 263 HA ILE 34 HA ILE 34 13.667 8.721 -15.121 264 HB ILE 34 HB ILE 34 14.321 5.871 -14.363 265 HG12 ILE 34 2HG1 ILE 34 12.023 7.042 -15.945 266 HG13 ILE 34 3HG1 ILE 34 13.274 5.963 -16.553 267 HG21 ILE 34 1HG2 ILE 34 13.082 7.856 -12.861 268 HG22 ILE 34 2HG2 ILE 34 11.757 6.886 -13.503 269 HG23 ILE 34 3HG2 ILE 34 13.036 6.118 -12.563 270 HD11 ILE 34 1HD1 ILE 34 11.319 4.673 -16.235 271 HD12 ILE 34 2HD1 ILE 34 12.433 4.245 -14.935 272 HD13 ILE 34 3HD1 ILE 34 11.074 5.322 -14.614 273 H ARG 35 H ARG 35 16.699 7.050 -14.434 274 HA ARG 35 HA ARG 35 16.965 7.850 -11.750 275 HB2 ARG 35 2HB ARG 35 18.725 6.722 -13.834 276 HB3 ARG 35 3HB ARG 35 19.545 7.624 -12.567 277 HG2 ARG 35 2HG ARG 35 17.532 5.575 -11.791 278 HG3 ARG 35 3HG ARG 35 19.125 5.050 -12.342 279 HD2 ARG 35 2HD ARG 35 19.467 7.193 -10.502 280 HD3 ARG 35 3HD ARG 35 18.366 6.017 -9.786 281 HE ARG 35 HE ARG 35 20.418 4.513 -10.764 282 HH11 ARG 35 1HH1 ARG 35 20.176 7.215 -8.583 283 HH12 ARG 35 2HH1 ARG 35 21.564 6.756 -7.653 284 HH21 ARG 35 1HH2 ARG 35 22.247 3.898 -9.547 285 HH22 ARG 35 2HH2 ARG 35 22.741 4.869 -8.203 286 H ARG 36 H ARG 36 17.816 9.414 -14.779 287 HA ARG 36 HA ARG 36 19.431 11.466 -13.755 288 HB2 ARG 36 2HB ARG 36 19.391 11.055 -16.118 289 HB3 ARG 36 3HB ARG 36 17.661 11.358 -16.197 290 HG2 ARG 36 2HG ARG 36 18.035 13.703 -15.649 291 HG3 ARG 36 3HG ARG 36 19.771 13.404 -15.541 292 HD2 ARG 36 2HD ARG 36 19.603 14.209 -17.684 293 HD3 ARG 36 3HD ARG 36 19.454 12.476 -17.968 294 HE ARG 36 HE ARG 36 16.887 13.285 -17.661 295 HH11 ARG 36 1HH1 ARG 36 19.520 14.345 -19.678 296 HH12 ARG 36 2HH1 ARG 36 18.491 14.872 -20.968 297 HH21 ARG 36 1HH2 ARG 36 15.522 13.976 -19.353 298 HH22 ARG 36 2HH2 ARG 36 16.218 14.662 -20.782 299 H ALA 37 H ALA 37 15.934 11.372 -14.377 300 HA ALA 37 HA ALA 37 15.392 14.009 -13.546 301 HB1 ALA 37 1HB ALA 37 13.728 11.551 -13.897 302 HB2 ALA 37 2HB ALA 37 13.032 12.997 -13.162 303 HB3 ALA 37 3HB ALA 37 13.692 13.068 -14.796 304 H LEU 38 H LEU 38 15.764 11.012 -11.790 305 HA LEU 38 HA LEU 38 14.544 11.745 -9.374 306 HB2 LEU 38 2HB LEU 38 14.992 9.562 -9.205 307 HB3 LEU 38 3HB LEU 38 16.355 9.664 -10.318 308 HG LEU 38 HG LEU 38 17.694 10.583 -8.365 309 HD11 LEU 38 1HD1 LEU 38 15.155 10.469 -7.129 310 HD12 LEU 38 2HD1 LEU 38 16.695 10.962 -6.425 311 HD13 LEU 38 3HD1 LEU 38 16.185 9.277 -6.335 312 HD21 LEU 38 1HD2 LEU 38 17.472 8.091 -7.276 313 HD22 LEU 38 2HD2 LEU 38 18.436 8.496 -8.697 314 HD23 LEU 38 3HD2 LEU 38 16.809 7.844 -8.892 315 H LYS 39 H LYS 39 17.641 12.542 -10.741 316 HA LYS 39 HA LYS 39 19.073 13.290 -8.484 317 HB2 LYS 39 2HB LYS 39 20.528 14.397 -9.917 318 HB3 LYS 39 3HB LYS 39 19.768 13.225 -10.986 319 HG2 LYS 39 2HG LYS 39 19.412 14.963 -12.333 320 HG3 LYS 39 3HG LYS 39 18.102 15.376 -11.223 321 HD2 LYS 39 2HD LYS 39 20.652 16.339 -10.255 322 HD3 LYS 39 3HD LYS 39 20.307 16.949 -11.875 323 HE2 LYS 39 2HE LYS 39 17.902 17.285 -10.672 324 HE3 LYS 39 3HE LYS 39 18.991 17.527 -9.307 325 HZ1 LYS 39 1HZ LYS 39 20.157 18.984 -11.251 326 HZ2 LYS 39 2HZ LYS 39 19.120 19.607 -10.069 327 HZ3 LYS 39 3HZ LYS 39 18.516 19.208 -11.597 328 H LYS 40 H LYS 40 16.360 14.811 -9.986 329 HA LYS 40 HA LYS 40 16.683 17.448 -9.100 330 HB2 LYS 40 2HB LYS 40 14.975 16.627 -10.750 331 HB3 LYS 40 3HB LYS 40 14.064 15.970 -9.396 332 HG2 LYS 40 2HG LYS 40 14.137 18.374 -8.469 333 HG3 LYS 40 3HG LYS 40 14.566 18.828 -10.121 334 HD2 LYS 40 2HD LYS 40 12.398 18.812 -10.620 335 HD3 LYS 40 3HD LYS 40 12.397 17.067 -10.352 336 HE2 LYS 40 2HE LYS 40 12.097 18.999 -8.077 337 HE3 LYS 40 3HE LYS 40 10.711 18.509 -9.049 338 HZ1 LYS 40 1HZ LYS 40 12.246 16.258 -8.237 339 HZ2 LYS 40 2HZ LYS 40 10.607 16.584 -7.980 340 HZ3 LYS 40 3HZ LYS 40 11.765 17.169 -6.895 341 H MET 41 H MET 41 15.923 14.574 -7.381 342 HA MET 41 HA MET 41 14.951 16.090 -5.067 343 HB2 MET 41 2HB MET 41 15.115 13.094 -5.202 344 HB3 MET 41 3HB MET 41 14.043 14.097 -4.233 345 HG2 MET 41 2HG MET 41 13.351 14.802 -6.780 346 HG3 MET 41 3HG MET 41 13.728 13.089 -6.949 347 HE1 MET 41 1HE MET 41 11.436 14.730 -3.592 348 HE2 MET 41 2HE MET 41 12.207 15.687 -4.857 349 HE3 MET 41 3HE MET 41 10.486 15.312 -4.959 350 H GLY 42 H GLY 42 17.698 14.390 -6.266 351 HA2 GLY 42 2HA GLY 42 19.820 14.181 -5.401 352 HA3 GLY 42 3HA GLY 42 19.325 15.248 -4.096 353 H ASP 43 H ASP 43 17.117 12.831 -4.127 354 HA ASP 43 HA ASP 43 18.644 11.268 -2.150 355 HB2 ASP 43 2HB ASP 43 15.961 12.427 -2.097 356 HB3 ASP 43 3HB ASP 43 15.977 10.718 -1.670 357 H THR 44 H THR 44 19.443 9.890 -3.825 358 HA THR 44 HA THR 44 17.514 8.292 -5.304 359 HB THR 44 HB THR 44 19.293 7.485 -6.596 360 HG1 THR 44 HG1 THR 44 21.551 8.064 -5.715 361 HG21 THR 44 1HG2 THR 44 20.296 9.403 -7.447 362 HG22 THR 44 2HG2 THR 44 20.457 10.146 -5.856 363 HG23 THR 44 3HG2 THR 44 18.874 10.046 -6.627 364 H SER 45 H SER 45 18.227 8.172 -2.265 365 HA SER 45 HA SER 45 19.260 5.546 -1.858 366 HB2 SER 45 2HB SER 45 19.287 6.122 0.328 367 HB3 SER 45 3HB SER 45 18.879 7.737 -0.250 368 HG SER 45 HG SER 45 17.212 7.447 1.017 369 H CYS 46 H CYS 46 16.007 6.951 -1.836 370 HA CYS 46 HA CYS 46 14.815 4.326 -1.423 371 HB2 CYS 46 2HB CYS 46 13.944 6.374 -0.262 372 HB3 CYS 46 3HB CYS 46 13.427 6.980 -1.832 373 H PHE 47 H PHE 47 15.550 6.505 -3.980 374 HA PHE 47 HA PHE 47 13.599 5.569 -5.842 375 HB2 PHE 47 2HB PHE 47 15.044 7.774 -5.825 376 HB3 PHE 47 3HB PHE 47 16.184 6.784 -6.731 377 HD1 PHE 47 HD1 PHE 47 15.459 5.759 -8.892 378 HD2 PHE 47 HD2 PHE 47 13.121 8.665 -6.841 379 HE1 PHE 47 HE1 PHE 47 14.200 6.200 -10.959 380 HE2 PHE 47 HE2 PHE 47 11.857 9.109 -8.905 381 HZ PHE 47 HZ PHE 47 12.395 7.876 -10.967 382 H ASP 48 H ASP 48 16.840 4.616 -4.955 383 HA ASP 48 HA ASP 48 17.562 3.080 -7.153 384 HB2 ASP 48 2HB ASP 48 18.304 3.156 -4.290 385 HB3 ASP 48 3HB ASP 48 18.662 1.652 -5.133 386 H GLU 49 H GLU 49 15.439 2.316 -4.460 387 HA GLU 49 HA GLU 49 15.174 -0.456 -5.169 388 HB2 GLU 49 2HB GLU 49 13.670 1.325 -3.254 389 HB3 GLU 49 3HB GLU 49 13.271 -0.370 -3.495 390 HG2 GLU 49 2HG GLU 49 16.063 -0.171 -3.012 391 HG3 GLU 49 3HG GLU 49 15.213 0.761 -1.781 392 H ILE 50 H ILE 50 13.160 2.446 -5.498 393 HA ILE 50 HA ILE 50 10.982 1.145 -6.754 394 HB ILE 50 HB ILE 50 10.076 3.266 -7.163 395 HG12 ILE 50 2HG1 ILE 50 11.801 5.293 -6.812 396 HG13 ILE 50 3HG1 ILE 50 12.923 4.081 -7.422 397 HG21 ILE 50 1HG2 ILE 50 11.054 2.641 -4.683 398 HG22 ILE 50 2HG2 ILE 50 11.647 4.283 -4.924 399 HG23 ILE 50 3HG2 ILE 50 9.921 3.944 -5.038 400 HD11 ILE 50 1HD1 ILE 50 10.921 3.847 -9.213 401 HD12 ILE 50 2HD1 ILE 50 10.801 5.558 -8.802 402 HD13 ILE 50 3HD1 ILE 50 12.320 4.902 -9.414 403 H LEU 51 H LEU 51 13.985 2.470 -7.933 404 HA LEU 51 HA LEU 51 13.410 2.810 -10.627 405 HB2 LEU 51 2HB LEU 51 15.621 3.114 -10.882 406 HB3 LEU 51 3HB LEU 51 15.613 3.097 -9.119 407 HG LEU 51 HG LEU 51 16.060 0.547 -9.409 408 HD11 LEU 51 1HD1 LEU 51 15.833 1.171 -12.056 409 HD12 LEU 51 2HD1 LEU 51 16.655 -0.249 -11.412 410 HD13 LEU 51 3HD1 LEU 51 17.580 1.195 -11.820 411 HD21 LEU 51 1HD2 LEU 51 18.547 1.716 -10.166 412 HD22 LEU 51 2HD2 LEU 51 18.013 1.181 -8.572 413 HD23 LEU 51 3HD2 LEU 51 17.693 2.833 -9.101 414 H LYS 52 H LYS 52 13.989 -0.112 -8.801 415 HA LYS 52 HA LYS 52 14.363 -1.829 -11.043 416 HB2 LYS 52 2HB LYS 52 14.359 -2.063 -8.189 417 HB3 LYS 52 3HB LYS 52 13.314 -3.308 -8.861 418 HG2 LYS 52 2HG LYS 52 15.472 -4.249 -8.671 419 HG3 LYS 52 3HG LYS 52 15.206 -3.933 -10.387 420 HD2 LYS 52 2HD LYS 52 16.343 -1.594 -9.543 421 HD3 LYS 52 3HD LYS 52 17.172 -2.789 -8.542 422 HE2 LYS 52 2HE LYS 52 17.699 -4.069 -10.602 423 HE3 LYS 52 3HE LYS 52 16.975 -2.772 -11.553 424 HZ1 LYS 52 1HZ LYS 52 18.719 -1.403 -11.185 425 HZ2 LYS 52 2HZ LYS 52 19.550 -2.866 -11.016 426 HZ3 LYS 52 3HZ LYS 52 19.046 -2.017 -9.643 427 H GLY 53 H GLY 53 11.574 -1.040 -8.992 428 HA2 GLY 53 2HA GLY 53 9.799 -2.771 -10.448 429 HA3 GLY 53 3HA GLY 53 9.342 -1.607 -9.213 430 H LEU 54 H LEU 54 10.989 0.385 -10.947 431 HA LEU 54 HA LEU 54 8.703 1.386 -12.373 432 HB2 LEU 54 2HB LEU 54 10.872 2.544 -11.200 433 HB3 LEU 54 3HB LEU 54 11.308 2.625 -12.906 434 HG LEU 54 HG LEU 54 8.835 3.800 -11.636 435 HD11 LEU 54 1HD1 LEU 54 11.507 4.853 -12.329 436 HD12 LEU 54 2HD1 LEU 54 10.378 5.353 -11.070 437 HD13 LEU 54 3HD1 LEU 54 10.124 5.869 -12.738 438 HD21 LEU 54 1HD2 LEU 54 9.767 3.675 -14.494 439 HD22 LEU 54 2HD2 LEU 54 8.590 4.855 -13.918 440 HD23 LEU 54 3HD2 LEU 54 8.230 3.130 -13.822 441 H LYS 55 H LYS 55 9.628 -1.147 -13.313 442 HA LYS 55 HA LYS 55 10.841 -0.532 -15.907 443 HB2 LYS 55 2HB LYS 55 11.315 -2.851 -16.117 444 HB3 LYS 55 3HB LYS 55 11.712 -2.413 -14.460 445 HG2 LYS 55 2HG LYS 55 9.090 -3.200 -14.267 446 HG3 LYS 55 3HG LYS 55 9.749 -4.303 -15.477 447 HD2 LYS 55 2HD LYS 55 11.712 -4.212 -13.531 448 HD3 LYS 55 3HD LYS 55 10.207 -4.192 -12.608 449 HE2 LYS 55 2HE LYS 55 10.832 -6.471 -12.905 450 HE3 LYS 55 3HE LYS 55 9.456 -6.161 -13.962 451 HZ1 LYS 55 1HZ LYS 55 12.300 -6.471 -14.706 452 HZ2 LYS 55 2HZ LYS 55 11.183 -5.750 -15.751 453 HZ3 LYS 55 3HZ LYS 55 10.967 -7.354 -15.258 454 H GLU 56 H GLU 56 8.025 0.091 -15.126 455 HA GLU 56 HA GLU 56 6.630 -1.537 -17.145 456 HB2 GLU 56 2HB GLU 56 5.646 -0.146 -14.667 457 HB3 GLU 56 3HB GLU 56 4.543 -0.597 -15.959 458 HG2 GLU 56 2HG GLU 56 4.343 -2.534 -14.890 459 HG3 GLU 56 3HG GLU 56 5.935 -2.914 -15.543 460 H ILE 57 H ILE 57 8.015 0.210 -18.416 461 HA ILE 57 HA ILE 57 6.784 2.805 -18.603 462 HB ILE 57 HB ILE 57 9.230 2.342 -19.043 463 HG12 ILE 57 2HG1 ILE 57 7.390 4.084 -20.424 464 HG13 ILE 57 3HG1 ILE 57 9.027 4.414 -19.867 465 HG21 ILE 57 1HG2 ILE 57 9.882 1.531 -21.222 466 HG22 ILE 57 2HG2 ILE 57 8.872 0.328 -20.422 467 HG23 ILE 57 3HG2 ILE 57 8.193 1.345 -21.692 468 HD11 ILE 57 1HD1 ILE 57 8.235 3.187 -22.496 469 HD12 ILE 57 2HD1 ILE 57 8.881 4.807 -22.229 470 HD13 ILE 57 3HD1 ILE 57 9.895 3.394 -21.937 471 H LYS 58 H LYS 58 5.276 3.488 -20.009 472 HA LYS 58 HA LYS 58 4.336 1.565 -22.036 473 HB2 LYS 58 2HB LYS 58 2.840 3.408 -20.206 474 HB3 LYS 58 3HB LYS 58 2.132 2.944 -21.747 475 HG2 LYS 58 2HG LYS 58 1.263 1.277 -20.513 476 HG3 LYS 58 3HG LYS 58 2.826 0.522 -20.834 477 HD2 LYS 58 2HD LYS 58 3.589 1.719 -18.676 478 HD3 LYS 58 3HD LYS 58 1.863 1.890 -18.345 479 HE2 LYS 58 2HE LYS 58 2.713 -0.101 -17.266 480 HE3 LYS 58 3HE LYS 58 1.607 -0.551 -18.563 481 HZ1 LYS 58 1HZ LYS 58 4.175 -0.414 -19.644 482 HZ2 LYS 58 2HZ LYS 58 3.207 -1.785 -19.429 483 HZ3 LYS 58 3HZ LYS 58 4.285 -1.312 -18.214 484 H CYS 59 H CYS 59 6.337 3.113 -22.860 485 HA CYS 59 HA CYS 59 5.990 5.660 -23.748 486 HB2 CYS 59 2HB CYS 59 8.072 4.578 -24.157 487 HB3 CYS 59 3HB CYS 59 7.309 3.322 -25.125 488 H GLY 60 H GLY 60 4.619 2.731 -25.151 489 HA2 GLY 60 2HA GLY 60 2.627 4.332 -26.524 490 HA3 GLY 60 3HA GLY 60 3.707 3.430 -27.577 491 H GLY 61 H GLY 61 2.806 2.154 -24.468 492 HA2 GLY 61 2HA GLY 61 0.749 0.791 -24.212 493 HA3 GLY 61 3HA GLY 61 1.052 0.212 -25.844 494 H SER 62 H SER 62 0.973 -1.934 -24.958 495 HA SER 62 HA SER 62 2.983 -2.750 -23.062 496 HB2 SER 62 2HB SER 62 1.262 -4.195 -22.761 497 HB3 SER 62 3HB SER 62 0.671 -3.989 -24.410 498 HG SER 62 HG SER 62 2.968 -5.502 -23.711 499 H TRP 63 H TRP 63 4.936 -3.593 -23.466 500 HA TRP 63 HA TRP 63 5.601 -4.829 -25.968 501 HB2 TRP 63 2HB TRP 63 7.336 -3.252 -26.646 502 HB3 TRP 63 3HB TRP 63 5.771 -2.446 -26.584 503 HD1 TRP 63 HD1 TRP 63 6.575 -2.603 -23.120 504 HE1 TRP 63 HE1 TRP 63 7.791 -0.492 -22.288 505 HE3 TRP 63 HE3 TRP 63 7.987 -0.650 -27.629 506 HZ2 TRP 63 HZ2 TRP 63 9.167 1.709 -23.397 507 HZ3 TRP 63 HZ3 TRP 63 9.250 1.461 -27.656 508 HH2 TRP 63 HH2 TRP 63 9.826 2.615 -25.583 509 H LEU 64 H LEU 64 8.268 -4.874 -25.952 510 HA LEU 64 HA LEU 64 9.148 -5.502 -23.232 511 HB2 LEU 64 2HB LEU 64 8.225 -7.545 -24.457 512 HB3 LEU 64 3HB LEU 64 9.642 -7.412 -25.496 513 HG LEU 64 HG LEU 64 10.348 -7.429 -22.678 514 HD11 LEU 64 1HD1 LEU 64 8.446 -8.802 -22.322 515 HD12 LEU 64 2HD1 LEU 64 9.843 -9.875 -22.410 516 HD13 LEU 64 3HD1 LEU 64 8.756 -9.728 -23.791 517 HD21 LEU 64 1HD2 LEU 64 11.503 -8.056 -25.089 518 HD22 LEU 64 2HD2 LEU 64 11.206 -9.641 -24.373 519 HD23 LEU 64 3HD2 LEU 64 12.162 -8.442 -23.499 520 H GLU 65 H GLU 65 11.526 -5.916 -23.143 521 HA GLU 65 HA GLU 65 12.888 -3.909 -24.703 522 HB2 GLU 65 2HB GLU 65 14.732 -4.231 -23.234 523 HB3 GLU 65 3HB GLU 65 13.281 -4.314 -22.245 524 HG2 GLU 65 2HG GLU 65 14.455 -6.086 -21.423 525 HG3 GLU 65 3HG GLU 65 13.499 -6.883 -22.670 526 H HIS 66 H HIS 66 14.316 -4.208 -26.326 527 HA HIS 66 HA HIS 66 15.718 -6.580 -26.870 528 HB2 HIS 66 2HB HIS 66 13.174 -7.054 -27.479 529 HB3 HIS 66 3HB HIS 66 13.626 -6.226 -28.966 530 HD1 HIS 66 HD1 HIS 66 15.694 -8.715 -26.981 531 HD2 HIS 66 HD2 HIS 66 13.891 -8.302 -30.701 532 HE1 HIS 66 HE1 HIS 66 16.422 -10.724 -28.308 Start of MODEL 4 1 H1 ALA 1 H ALA 1 4.654 -3.009 -2.493 2 HA ALA 1 HA ALA 1 3.204 -0.560 -1.894 3 HB1 ALA 1 1HB ALA 1 3.930 -3.004 -0.332 4 HB2 ALA 1 2HB ALA 1 3.420 -1.534 0.499 5 HB3 ALA 1 3HB ALA 1 2.340 -2.313 -0.657 6 H SER 2 H SER 2 5.700 -0.000 -2.910 7 HA SER 2 HA SER 2 7.665 0.348 -0.876 8 HB2 SER 2 2HB SER 2 9.011 1.001 -2.574 9 HB3 SER 2 3HB SER 2 7.698 0.446 -3.613 10 HG SER 2 HG SER 2 8.664 2.902 -3.367 11 HA PRO 3 HA PRO 3 6.296 4.046 1.063 12 HB2 PRO 3 2HB PRO 3 8.681 5.090 1.834 13 HB3 PRO 3 3HB PRO 3 7.952 3.681 2.614 14 HG2 PRO 3 2HG PRO 3 10.104 3.794 0.536 15 HG3 PRO 3 3HG PRO 3 10.004 2.782 1.989 16 HD2 PRO 3 2HD PRO 3 9.395 1.851 -0.479 17 HD3 PRO 3 3HD PRO 3 8.585 1.266 0.988 18 H CYS 4 H CYS 4 8.846 4.282 -1.367 19 HA CYS 4 HA CYS 4 8.019 7.052 -1.921 20 HB2 CYS 4 2HB CYS 4 10.590 5.608 -2.594 21 HB3 CYS 4 3HB CYS 4 10.203 7.246 -3.110 22 H ASP 5 H ASP 5 6.507 4.795 -2.820 23 HA ASP 5 HA ASP 5 7.090 4.118 -5.500 24 HB2 ASP 5 2HB ASP 5 5.384 3.109 -3.728 25 HB3 ASP 5 3HB ASP 5 4.261 4.182 -4.559 26 H LYS 6 H LYS 6 5.417 6.805 -4.030 27 HA LYS 6 HA LYS 6 4.032 7.760 -6.277 28 HB2 LYS 6 2HB LYS 6 4.061 9.952 -5.087 29 HB3 LYS 6 3HB LYS 6 3.509 8.612 -4.090 30 HG2 LYS 6 2HG LYS 6 6.113 8.574 -3.469 31 HG3 LYS 6 3HG LYS 6 5.926 10.287 -3.853 32 HD2 LYS 6 2HD LYS 6 3.755 9.948 -2.323 33 HD3 LYS 6 3HD LYS 6 4.789 8.698 -1.628 34 HE2 LYS 6 2HE LYS 6 6.335 11.063 -2.006 35 HE3 LYS 6 3HE LYS 6 4.846 11.491 -1.165 36 HZ1 LYS 6 1HZ LYS 6 5.325 9.985 0.559 37 HZ2 LYS 6 2HZ LYS 6 6.771 10.815 0.276 38 HZ3 LYS 6 3HZ LYS 6 6.571 9.240 -0.309 39 H GLN 7 H GLN 7 7.372 8.034 -5.310 40 HA GLN 7 HA GLN 7 8.084 10.177 -7.022 41 HB2 GLN 7 2HB GLN 7 9.542 8.122 -5.447 42 HB3 GLN 7 3HB GLN 7 10.423 8.908 -6.750 43 HG2 GLN 7 2HG GLN 7 10.840 10.073 -4.701 44 HG3 GLN 7 3HG GLN 7 9.870 11.097 -5.760 45 HE21 GLN 7 1HE2 GLN 7 8.857 8.389 -3.737 46 HE22 GLN 7 2HE2 GLN 7 7.786 9.303 -2.737 47 H LYS 8 H LYS 8 7.802 6.723 -7.467 48 HA LYS 8 HA LYS 8 9.214 6.580 -9.930 49 HB2 LYS 8 2HB LYS 8 8.780 4.362 -9.836 50 HB3 LYS 8 3HB LYS 8 8.291 4.728 -8.187 51 HG2 LYS 8 2HG LYS 8 5.956 4.989 -9.006 52 HG3 LYS 8 3HG LYS 8 6.503 4.433 -10.589 53 HD2 LYS 8 2HD LYS 8 7.502 2.484 -8.999 54 HD3 LYS 8 3HD LYS 8 6.048 2.925 -8.101 55 HE2 LYS 8 2HE LYS 8 6.163 2.146 -11.013 56 HE3 LYS 8 3HE LYS 8 5.614 1.116 -9.692 57 HZ1 LYS 8 1HZ LYS 8 3.612 2.030 -9.783 58 HZ2 LYS 8 2HZ LYS 8 4.082 2.847 -11.187 59 HZ3 LYS 8 3HZ LYS 8 4.238 3.599 -9.680 60 H ASN 9 H ASN 9 5.834 7.084 -9.067 61 HA ASN 9 HA ASN 9 4.861 6.949 -11.747 62 HB2 ASN 9 2HB ASN 9 3.276 6.487 -10.048 63 HB3 ASN 9 3HB ASN 9 3.682 7.954 -9.161 64 HD21 ASN 9 1HD2 ASN 9 1.747 8.936 -9.129 65 HD22 ASN 9 2HD2 ASN 9 0.879 9.435 -10.537 66 H TYR 10 H TYR 10 6.021 9.504 -9.647 67 HA TYR 10 HA TYR 10 5.116 11.691 -11.197 68 HB2 TYR 10 2HB TYR 10 5.708 12.310 -9.044 69 HB3 TYR 10 3HB TYR 10 7.166 11.324 -9.047 70 HD1 TYR 10 HD1 TYR 10 9.226 12.345 -9.358 71 HD2 TYR 10 HD2 TYR 10 5.711 14.354 -10.668 72 HE1 TYR 10 HE1 TYR 10 10.571 14.330 -9.906 73 HE2 TYR 10 HE2 TYR 10 7.047 16.343 -11.221 74 HH TYR 10 HH TYR 10 10.269 16.349 -11.595 75 H ILE 11 H ILE 11 8.115 9.824 -11.185 76 HA ILE 11 HA ILE 11 9.323 11.455 -13.237 77 HB ILE 11 HB ILE 11 10.232 8.779 -12.175 78 HG12 ILE 11 2HG1 ILE 11 10.015 10.586 -10.441 79 HG13 ILE 11 3HG1 ILE 11 11.653 9.977 -10.655 80 HG21 ILE 11 1HG2 ILE 11 11.406 10.788 -14.030 81 HG22 ILE 11 2HG2 ILE 11 12.482 9.890 -12.960 82 HG23 ILE 11 3HG2 ILE 11 11.449 9.026 -14.099 83 HD11 ILE 11 1HD1 ILE 11 10.731 12.421 -12.107 84 HD12 ILE 11 2HD1 ILE 11 11.285 12.507 -10.434 85 HD13 ILE 11 3HD1 ILE 11 12.370 11.918 -11.694 86 H ASP 12 H ASP 12 7.898 8.218 -13.016 87 HA ASP 12 HA ASP 12 8.412 7.400 -15.646 88 HB2 ASP 12 2HB ASP 12 7.622 5.936 -13.761 89 HB3 ASP 12 3HB ASP 12 6.015 6.622 -13.979 90 H LYS 13 H LYS 13 5.894 9.411 -14.288 91 HA LYS 13 HA LYS 13 4.324 9.428 -16.712 92 HB2 LYS 13 2HB LYS 13 2.788 10.775 -15.549 93 HB3 LYS 13 3HB LYS 13 3.427 9.682 -14.328 94 HG2 LYS 13 2HG LYS 13 4.910 11.422 -13.513 95 HG3 LYS 13 3HG LYS 13 4.338 12.519 -14.772 96 HD2 LYS 13 2HD LYS 13 2.083 11.478 -13.371 97 HD3 LYS 13 3HD LYS 13 3.251 12.080 -12.193 98 HE2 LYS 13 2HE LYS 13 2.614 13.745 -14.582 99 HE3 LYS 13 3HE LYS 13 1.452 13.674 -13.259 100 HZ1 LYS 13 1HZ LYS 13 3.389 15.438 -13.318 101 HZ2 LYS 13 2HZ LYS 13 4.246 14.183 -12.576 102 HZ3 LYS 13 3HZ LYS 13 2.834 14.779 -11.862 103 H GLN 14 H GLN 14 6.857 11.317 -15.282 104 HA GLN 14 HA GLN 14 6.455 13.522 -17.145 105 HB2 GLN 14 2HB GLN 14 8.101 13.076 -14.706 106 HB3 GLN 14 3HB GLN 14 8.702 14.228 -15.892 107 HG2 GLN 14 2HG GLN 14 5.994 14.329 -14.582 108 HG3 GLN 14 3HG GLN 14 7.393 15.298 -14.122 109 HE21 GLN 14 1HE2 GLN 14 4.820 14.873 -16.366 110 HE22 GLN 14 2HE2 GLN 14 5.077 16.323 -17.270 111 H LEU 15 H LEU 15 8.029 10.572 -17.098 112 HA LEU 15 HA LEU 15 10.129 11.467 -18.945 113 HB2 LEU 15 2HB LEU 15 9.814 9.138 -17.125 114 HB3 LEU 15 3HB LEU 15 10.768 8.923 -18.591 115 HG LEU 15 HG LEU 15 11.889 9.599 -16.308 116 HD11 LEU 15 1HD1 LEU 15 13.614 9.613 -17.696 117 HD12 LEU 15 2HD1 LEU 15 13.210 11.263 -18.168 118 HD13 LEU 15 3HD1 LEU 15 12.541 9.901 -19.065 119 HD21 LEU 15 1HD2 LEU 15 10.367 11.626 -16.155 120 HD22 LEU 15 2HD2 LEU 15 11.332 12.322 -17.456 121 HD23 LEU 15 3HD2 LEU 15 12.091 11.912 -15.917 122 H LEU 16 H LEU 16 7.068 10.113 -18.926 123 HA LEU 16 HA LEU 16 7.330 8.297 -21.113 124 HB2 LEU 16 2HB LEU 16 5.185 9.351 -19.430 125 HB3 LEU 16 3HB LEU 16 4.694 9.041 -21.094 126 HG LEU 16 HG LEU 16 6.133 6.905 -19.586 127 HD11 LEU 16 1HD1 LEU 16 4.411 6.337 -18.252 128 HD12 LEU 16 2HD1 LEU 16 3.194 6.874 -19.410 129 HD13 LEU 16 3HD1 LEU 16 4.011 8.050 -18.381 130 HD21 LEU 16 1HD2 LEU 16 5.737 5.973 -21.579 131 HD22 LEU 16 2HD2 LEU 16 4.537 7.191 -22.015 132 HD23 LEU 16 3HD2 LEU 16 4.072 5.811 -21.018 133 HA PRO 17 HA PRO 17 5.663 12.263 -23.424 134 HB2 PRO 17 2HB PRO 17 6.691 14.579 -22.449 135 HB3 PRO 17 3HB PRO 17 5.149 13.908 -21.904 136 HG2 PRO 17 2HG PRO 17 7.848 13.744 -20.618 137 HG3 PRO 17 3HG PRO 17 6.269 14.055 -19.871 138 HD2 PRO 17 2HD PRO 17 7.463 11.625 -19.798 139 HD3 PRO 17 3HD PRO 17 5.699 11.821 -19.850 140 H ILE 18 H ILE 18 8.881 12.379 -21.926 141 HA ILE 18 HA ILE 18 10.128 13.434 -24.292 142 HB ILE 18 HB ILE 18 12.250 13.067 -23.094 143 HG12 ILE 18 2HG1 ILE 18 10.874 12.294 -20.591 144 HG13 ILE 18 3HG1 ILE 18 10.989 11.037 -21.818 145 HG21 ILE 18 1HG2 ILE 18 10.000 14.471 -21.696 146 HG22 ILE 18 2HG2 ILE 18 11.646 14.517 -21.067 147 HG23 ILE 18 3HG2 ILE 18 11.299 15.156 -22.673 148 HD11 ILE 18 1HD1 ILE 18 13.027 12.129 -20.068 149 HD12 ILE 18 2HD1 ILE 18 12.990 10.607 -20.960 150 HD13 ILE 18 3HD1 ILE 18 13.527 12.085 -21.759 151 H VAL 19 H VAL 19 9.236 10.336 -23.188 152 HA VAL 19 HA VAL 19 11.253 8.875 -24.643 153 HB VAL 19 HB VAL 19 8.776 8.053 -23.149 154 HG11 VAL 19 1HG1 VAL 19 10.281 6.546 -25.189 155 HG12 VAL 19 2HG1 VAL 19 9.935 5.685 -23.688 156 HG13 VAL 19 3HG1 VAL 19 8.615 6.365 -24.641 157 HG21 VAL 19 1HG2 VAL 19 10.169 7.533 -21.471 158 HG22 VAL 19 2HG2 VAL 19 11.361 6.816 -22.554 159 HG23 VAL 19 3HG2 VAL 19 11.327 8.562 -22.313 160 H ASN 20 H ASN 20 7.747 9.398 -24.996 161 HA ASN 20 HA ASN 20 7.700 8.128 -27.582 162 HB2 ASN 20 2HB ASN 20 5.760 7.969 -26.093 163 HB3 ASN 20 3HB ASN 20 5.575 9.720 -26.127 164 HD21 ASN 20 1HD2 ASN 20 5.806 6.962 -28.345 165 HD22 ASN 20 2HD2 ASN 20 4.602 7.529 -29.447 166 H LYS 21 H LYS 21 8.665 11.118 -26.504 167 HA LYS 21 HA LYS 21 7.627 12.881 -28.427 168 HB2 LYS 21 2HB LYS 21 8.673 13.862 -26.559 169 HB3 LYS 21 3HB LYS 21 10.130 12.898 -26.759 170 HG2 LYS 21 2HG LYS 21 11.030 14.326 -28.238 171 HG3 LYS 21 3HG LYS 21 9.482 14.662 -29.017 172 HD2 LYS 21 2HD LYS 21 10.202 16.681 -27.980 173 HD3 LYS 21 3HD LYS 21 8.881 16.038 -27.002 174 HE2 LYS 21 2HE LYS 21 10.253 16.284 -25.258 175 HE3 LYS 21 3HE LYS 21 11.110 14.875 -25.883 176 HZ1 LYS 21 1HZ LYS 21 11.775 17.733 -26.257 177 HZ2 LYS 21 2HZ LYS 21 12.430 16.527 -27.246 178 HZ3 LYS 21 3HZ LYS 21 12.733 16.513 -25.582 179 H ALA 22 H ALA 22 10.609 10.955 -28.411 180 HA ALA 22 HA ALA 22 11.276 11.803 -31.102 181 HB1 ALA 22 1HB ALA 22 13.278 10.485 -30.837 182 HB2 ALA 22 2HB ALA 22 13.028 11.464 -29.391 183 HB3 ALA 22 3HB ALA 22 12.637 9.744 -29.370 184 H GLY 23 H GLY 23 10.010 8.952 -29.467 185 HA2 GLY 23 2HA GLY 23 8.520 7.952 -31.524 186 HA3 GLY 23 3HA GLY 23 10.122 7.287 -31.808 187 H CYS 24 H CYS 24 11.097 6.025 -30.056 188 HA CYS 24 HA CYS 24 9.916 5.172 -27.743 189 HB2 CYS 24 2HB CYS 24 8.461 4.202 -30.017 190 HB3 CYS 24 3HB CYS 24 9.204 2.840 -29.185 191 H SER 25 H SER 25 12.082 5.012 -27.196 192 HA SER 25 HA SER 25 13.861 3.261 -28.628 193 HB2 SER 25 2HB SER 25 14.574 4.182 -25.897 194 HB3 SER 25 3HB SER 25 15.535 4.184 -27.375 195 HG SER 25 HG SER 25 14.062 5.933 -28.062 196 H ARG 26 H ARG 26 15.286 2.056 -26.571 197 HA ARG 26 HA ARG 26 13.648 -0.243 -26.079 198 HB2 ARG 26 2HB ARG 26 15.696 -1.108 -24.919 199 HB3 ARG 26 3HB ARG 26 15.955 -0.618 -26.588 200 HG2 ARG 26 2HG ARG 26 16.487 1.661 -25.078 201 HG3 ARG 26 3HG ARG 26 17.215 0.327 -24.181 202 HD2 ARG 26 2HD ARG 26 17.725 1.151 -27.029 203 HD3 ARG 26 3HD ARG 26 18.867 1.122 -25.686 204 HE ARG 26 HE ARG 26 18.046 -1.469 -25.944 205 HH11 ARG 26 1HH1 ARG 26 19.479 0.888 -28.069 206 HH12 ARG 26 2HH1 ARG 26 20.309 -0.291 -29.030 207 HH21 ARG 26 1HH2 ARG 26 19.135 -3.030 -27.201 208 HH22 ARG 26 2HH2 ARG 26 20.112 -2.520 -28.535 209 HA PRO 27 HA PRO 27 12.119 0.706 -22.071 210 HB2 PRO 27 2HB PRO 27 11.914 -1.792 -21.027 211 HB3 PRO 27 3HB PRO 27 10.817 -1.177 -22.269 212 HG2 PRO 27 2HG PRO 27 13.206 -2.956 -22.564 213 HG3 PRO 27 3HG PRO 27 11.616 -3.080 -23.340 214 HD2 PRO 27 2HD PRO 27 13.780 -2.054 -24.605 215 HD3 PRO 27 3HD PRO 27 12.128 -1.488 -24.926 216 H GLU 28 H GLU 28 15.011 -1.248 -22.394 217 HA GLU 28 HA GLU 28 15.754 -1.268 -19.663 218 HB2 GLU 28 2HB GLU 28 16.988 -1.986 -22.230 219 HB3 GLU 28 3HB GLU 28 18.132 -1.446 -21.010 220 HG2 GLU 28 2HG GLU 28 17.732 -3.913 -21.096 221 HG3 GLU 28 3HG GLU 28 17.498 -3.164 -19.518 222 H GLU 29 H GLU 29 16.484 0.911 -22.347 223 HA GLU 29 HA GLU 29 18.292 2.533 -20.833 224 HB2 GLU 29 2HB GLU 29 18.590 3.755 -22.759 225 HB3 GLU 29 3HB GLU 29 18.042 2.227 -23.432 226 HG2 GLU 29 2HG GLU 29 16.731 3.666 -24.602 227 HG3 GLU 29 3HG GLU 29 15.679 3.355 -23.222 228 H VAL 30 H VAL 30 14.861 2.506 -21.417 229 HA VAL 30 HA VAL 30 14.225 5.147 -20.740 230 HB VAL 30 HB VAL 30 12.591 2.641 -20.319 231 HG11 VAL 30 1HG1 VAL 30 12.072 5.455 -19.705 232 HG12 VAL 30 2HG1 VAL 30 10.815 4.682 -20.673 233 HG13 VAL 30 3HG1 VAL 30 11.275 3.998 -19.114 234 HG21 VAL 30 1HG2 VAL 30 13.431 3.839 -22.677 235 HG22 VAL 30 2HG2 VAL 30 12.109 2.685 -22.495 236 HG23 VAL 30 3HG2 VAL 30 11.779 4.417 -22.457 237 H GLU 31 H GLU 31 14.728 2.290 -18.733 238 HA GLU 31 HA GLU 31 13.825 3.353 -16.298 239 HB2 GLU 31 2HB GLU 31 15.347 1.028 -17.179 240 HB3 GLU 31 3HB GLU 31 15.874 1.620 -15.610 241 HG2 GLU 31 2HG GLU 31 14.182 -0.086 -15.354 242 HG3 GLU 31 3HG GLU 31 13.584 1.470 -14.779 243 H GLU 32 H GLU 32 16.962 3.500 -17.899 244 HA GLU 32 HA GLU 32 18.415 4.620 -15.761 245 HB2 GLU 32 2HB GLU 32 18.821 4.156 -18.616 246 HB3 GLU 32 3HB GLU 32 19.610 5.620 -18.045 247 HG2 GLU 32 2HG GLU 32 21.134 4.492 -16.843 248 HG3 GLU 32 3HG GLU 32 19.985 3.248 -16.353 249 H ARG 33 H ARG 33 16.483 6.063 -18.332 250 HA ARG 33 HA ARG 33 17.211 8.740 -17.938 251 HB2 ARG 33 2HB ARG 33 14.594 7.580 -18.911 252 HB3 ARG 33 3HB ARG 33 15.050 9.274 -19.041 253 HG2 ARG 33 2HG ARG 33 17.022 7.427 -20.156 254 HG3 ARG 33 3HG ARG 33 15.450 7.382 -20.957 255 HD2 ARG 33 2HD ARG 33 15.592 9.912 -21.061 256 HD3 ARG 33 3HD ARG 33 17.279 9.739 -20.578 257 HE ARG 33 HE ARG 33 16.148 9.175 -23.159 258 HH11 ARG 33 1HH1 ARG 33 18.764 8.493 -20.967 259 HH12 ARG 33 2HH1 ARG 33 19.861 8.012 -22.219 260 HH21 ARG 33 1HH2 ARG 33 17.582 8.544 -24.816 261 HH22 ARG 33 2HH2 ARG 33 19.187 8.042 -24.408 262 H ILE 34 H ILE 34 14.927 6.680 -16.268 263 HA ILE 34 HA ILE 34 13.462 8.639 -14.903 264 HB ILE 34 HB ILE 34 14.167 5.886 -13.882 265 HG12 ILE 34 2HG1 ILE 34 11.894 6.805 -15.654 266 HG13 ILE 34 3HG1 ILE 34 13.203 5.720 -16.108 267 HG21 ILE 34 1HG2 ILE 34 12.917 7.912 -12.554 268 HG22 ILE 34 2HG2 ILE 34 11.554 7.045 -13.260 269 HG23 ILE 34 3HG2 ILE 34 12.696 6.195 -12.220 270 HD11 ILE 34 1HD1 ILE 34 10.703 5.160 -14.753 271 HD12 ILE 34 2HD1 ILE 34 11.807 4.073 -15.597 272 HD13 ILE 34 3HD1 ILE 34 12.100 4.492 -13.909 273 H ARG 35 H ARG 35 16.558 7.128 -14.187 274 HA ARG 35 HA ARG 35 16.836 8.117 -11.555 275 HB2 ARG 35 2HB ARG 35 18.639 6.923 -13.592 276 HB3 ARG 35 3HB ARG 35 19.395 7.838 -12.294 277 HG2 ARG 35 2HG ARG 35 17.367 5.932 -11.392 278 HG3 ARG 35 3HG ARG 35 18.760 5.197 -12.188 279 HD2 ARG 35 2HD ARG 35 19.616 7.260 -10.379 280 HD3 ARG 35 3HD ARG 35 18.578 6.107 -9.542 281 HE ARG 35 HE ARG 35 20.438 4.673 -11.056 282 HH11 ARG 35 1HH1 ARG 35 20.341 6.794 -8.297 283 HH12 ARG 35 2HH1 ARG 35 21.736 6.093 -7.545 284 HH21 ARG 35 1HH2 ARG 35 22.275 3.741 -10.076 285 HH22 ARG 35 2HH2 ARG 35 22.836 4.357 -8.558 286 H ARG 36 H ARG 36 17.650 9.434 -14.713 287 HA ARG 36 HA ARG 36 19.236 11.588 -13.871 288 HB2 ARG 36 2HB ARG 36 19.270 12.158 -16.055 289 HB3 ARG 36 3HB ARG 36 18.465 10.612 -16.285 290 HG2 ARG 36 2HG ARG 36 16.286 11.784 -16.175 291 HG3 ARG 36 3HG ARG 36 17.159 13.315 -16.090 292 HD2 ARG 36 2HD ARG 36 18.320 12.162 -18.257 293 HD3 ARG 36 3HD ARG 36 16.678 11.532 -18.374 294 HE ARG 36 HE ARG 36 16.003 13.604 -19.034 295 HH11 ARG 36 1HH1 ARG 36 19.010 13.921 -17.310 296 HH12 ARG 36 2HH1 ARG 36 19.154 15.622 -17.610 297 HH21 ARG 36 1HH2 ARG 36 16.180 15.842 -19.437 298 HH22 ARG 36 2HH2 ARG 36 17.543 16.713 -18.820 299 H ALA 37 H ALA 37 15.738 11.277 -14.262 300 HA ALA 37 HA ALA 37 15.154 14.009 -13.718 301 HB1 ALA 37 1HB ALA 37 13.509 11.505 -13.803 302 HB2 ALA 37 2HB ALA 37 12.815 13.039 -13.274 303 HB3 ALA 37 3HB ALA 37 13.487 12.889 -14.898 304 H LEU 38 H LEU 38 15.514 11.135 -11.743 305 HA LEU 38 HA LEU 38 14.346 12.104 -9.377 306 HB2 LEU 38 2HB LEU 38 14.695 9.933 -9.006 307 HB3 LEU 38 3HB LEU 38 16.000 9.858 -10.188 308 HG LEU 38 HG LEU 38 17.469 10.889 -8.363 309 HD11 LEU 38 1HD1 LEU 38 16.063 9.743 -6.188 310 HD12 LEU 38 2HD1 LEU 38 14.975 10.863 -7.007 311 HD13 LEU 38 3HD1 LEU 38 16.542 11.424 -6.425 312 HD21 LEU 38 1HD2 LEU 38 18.097 8.748 -8.712 313 HD22 LEU 38 2HD2 LEU 38 16.448 8.130 -8.604 314 HD23 LEU 38 3HD2 LEU 38 17.348 8.504 -7.134 315 H LYS 39 H LYS 39 17.432 12.680 -10.853 316 HA LYS 39 HA LYS 39 18.958 13.501 -8.685 317 HB2 LYS 39 2HB LYS 39 19.873 13.233 -10.939 318 HB3 LYS 39 3HB LYS 39 18.941 14.617 -11.496 319 HG2 LYS 39 2HG LYS 39 20.482 15.423 -9.247 320 HG3 LYS 39 3HG LYS 39 21.537 14.574 -10.380 321 HD2 LYS 39 2HD LYS 39 21.534 16.910 -10.939 322 HD3 LYS 39 3HD LYS 39 20.659 16.032 -12.195 323 HE2 LYS 39 2HE LYS 39 18.540 16.683 -11.207 324 HE3 LYS 39 3HE LYS 39 19.380 17.491 -9.885 325 HZ1 LYS 39 1HZ LYS 39 19.623 19.303 -11.114 326 HZ2 LYS 39 2HZ LYS 39 18.615 18.605 -12.279 327 HZ3 LYS 39 3HZ LYS 39 20.293 18.436 -12.403 328 H LYS 40 H LYS 40 16.274 15.050 -10.219 329 HA LYS 40 HA LYS 40 16.713 17.715 -9.505 330 HB2 LYS 40 2HB LYS 40 14.950 17.168 -11.036 331 HB3 LYS 40 3HB LYS 40 14.154 16.150 -9.844 332 HG2 LYS 40 2HG LYS 40 13.487 18.020 -8.556 333 HG3 LYS 40 3HG LYS 40 14.531 19.108 -9.474 334 HD2 LYS 40 2HD LYS 40 12.290 17.577 -10.766 335 HD3 LYS 40 3HD LYS 40 12.035 19.152 -10.010 336 HE2 LYS 40 2HE LYS 40 13.977 18.556 -12.241 337 HE3 LYS 40 3HE LYS 40 12.413 19.350 -12.423 338 HZ1 LYS 40 1HZ LYS 40 13.720 20.775 -10.477 339 HZ2 LYS 40 2HZ LYS 40 13.483 21.247 -12.083 340 HZ3 LYS 40 3HZ LYS 40 14.911 20.459 -11.636 341 H MET 41 H MET 41 15.939 14.990 -7.570 342 HA MET 41 HA MET 41 15.092 16.680 -5.330 343 HB2 MET 41 2HB MET 41 15.190 13.674 -5.308 344 HB3 MET 41 3HB MET 41 14.218 14.745 -4.308 345 HG2 MET 41 2HG MET 41 13.399 15.341 -6.870 346 HG3 MET 41 3HG MET 41 13.653 13.597 -6.910 347 HE1 MET 41 1HE MET 41 11.628 15.608 -3.534 348 HE2 MET 41 2HE MET 41 12.542 16.400 -4.818 349 HE3 MET 41 3HE MET 41 10.789 16.253 -4.945 350 H GLY 42 H GLY 42 17.764 14.861 -6.515 351 HA2 GLY 42 2HA GLY 42 19.916 14.677 -5.718 352 HA3 GLY 42 3HA GLY 42 19.482 15.825 -4.460 353 H ASP 43 H ASP 43 17.244 13.448 -4.262 354 HA ASP 43 HA ASP 43 18.828 11.972 -2.264 355 HB2 ASP 43 2HB ASP 43 16.162 13.175 -2.168 356 HB3 ASP 43 3HB ASP 43 16.186 11.499 -1.625 357 H THR 44 H THR 44 19.526 10.496 -3.909 358 HA THR 44 HA THR 44 17.495 8.843 -5.181 359 HB THR 44 HB THR 44 19.203 7.923 -6.516 360 HG1 THR 44 HG1 THR 44 21.126 9.040 -4.732 361 HG21 THR 44 1HG2 THR 44 18.831 10.628 -6.434 362 HG22 THR 44 2HG2 THR 44 19.756 9.774 -7.669 363 HG23 THR 44 3HG2 THR 44 20.584 10.500 -6.292 364 H SER 45 H SER 45 18.406 8.882 -2.192 365 HA SER 45 HA SER 45 19.443 6.267 -1.715 366 HB2 SER 45 2HB SER 45 18.336 6.964 0.669 367 HB3 SER 45 3HB SER 45 19.927 7.499 0.131 368 HG SER 45 HG SER 45 19.188 9.456 0.040 369 H CYS 46 H CYS 46 16.215 7.717 -1.553 370 HA CYS 46 HA CYS 46 15.022 5.147 -0.893 371 HB2 CYS 46 2HB CYS 46 14.281 7.364 0.120 372 HB3 CYS 46 3HB CYS 46 13.568 7.731 -1.448 373 H PHE 47 H PHE 47 15.576 7.167 -3.634 374 HA PHE 47 HA PHE 47 13.525 6.064 -5.295 375 HB2 PHE 47 2HB PHE 47 14.830 8.321 -5.522 376 HB3 PHE 47 3HB PHE 47 16.006 7.342 -6.391 377 HD1 PHE 47 HD1 PHE 47 15.106 5.921 -8.347 378 HD2 PHE 47 HD2 PHE 47 13.010 9.208 -6.637 379 HE1 PHE 47 HE1 PHE 47 13.763 6.129 -10.399 380 HE2 PHE 47 HE2 PHE 47 11.664 9.420 -8.686 381 HZ PHE 47 HZ PHE 47 12.039 7.879 -10.570 382 H ASP 48 H ASP 48 16.860 5.291 -4.597 383 HA ASP 48 HA ASP 48 17.501 3.659 -6.744 384 HB2 ASP 48 2HB ASP 48 19.136 4.304 -5.046 385 HB3 ASP 48 3HB ASP 48 18.294 3.333 -3.842 386 H GLU 49 H GLU 49 15.557 2.968 -3.902 387 HA GLU 49 HA GLU 49 15.360 0.155 -4.429 388 HB2 GLU 49 2HB GLU 49 14.067 2.053 -2.508 389 HB3 GLU 49 3HB GLU 49 13.376 0.453 -2.738 390 HG2 GLU 49 2HG GLU 49 14.764 -0.084 -1.060 391 HG3 GLU 49 3HG GLU 49 15.944 -0.218 -2.362 392 H ILE 50 H ILE 50 13.250 2.964 -4.900 393 HA ILE 50 HA ILE 50 11.075 1.497 -5.981 394 HB ILE 50 HB ILE 50 10.041 3.528 -6.406 395 HG12 ILE 50 2HG1 ILE 50 11.734 5.645 -6.397 396 HG13 ILE 50 3HG1 ILE 50 12.778 4.414 -7.098 397 HG21 ILE 50 1HG2 ILE 50 10.086 4.465 -4.365 398 HG22 ILE 50 2HG2 ILE 50 11.231 3.177 -3.995 399 HG23 ILE 50 3HG2 ILE 50 11.819 4.780 -4.435 400 HD11 ILE 50 1HD1 ILE 50 10.419 4.107 -8.479 401 HD12 ILE 50 2HD1 ILE 50 10.553 5.853 -8.265 402 HD13 ILE 50 3HD1 ILE 50 11.859 4.956 -9.041 403 H LEU 51 H LEU 51 13.989 2.840 -7.334 404 HA LEU 51 HA LEU 51 13.289 2.980 -10.030 405 HB2 LEU 51 2HB LEU 51 15.454 3.446 -10.372 406 HB3 LEU 51 3HB LEU 51 15.524 3.502 -8.612 407 HG LEU 51 HG LEU 51 16.128 0.970 -8.842 408 HD11 LEU 51 1HD1 LEU 51 15.769 1.482 -11.487 409 HD12 LEU 51 2HD1 LEU 51 16.748 0.167 -10.839 410 HD13 LEU 51 3HD1 LEU 51 17.514 1.680 -11.323 411 HD21 LEU 51 1HD2 LEU 51 18.523 2.216 -9.673 412 HD22 LEU 51 2HD2 LEU 51 18.014 1.811 -8.034 413 HD23 LEU 51 3HD2 LEU 51 17.625 3.392 -8.712 414 H LYS 52 H LYS 52 14.100 0.246 -8.021 415 HA LYS 52 HA LYS 52 14.570 -1.609 -10.123 416 HB2 LYS 52 2HB LYS 52 14.268 -1.699 -7.197 417 HB3 LYS 52 3HB LYS 52 13.743 -3.158 -8.028 418 HG2 LYS 52 2HG LYS 52 15.877 -3.779 -7.917 419 HG3 LYS 52 3HG LYS 52 16.143 -2.632 -9.233 420 HD2 LYS 52 2HD LYS 52 17.748 -2.033 -7.651 421 HD3 LYS 52 3HD LYS 52 16.439 -0.884 -7.366 422 HE2 LYS 52 2HE LYS 52 15.841 -1.851 -5.376 423 HE3 LYS 52 3HE LYS 52 16.435 -3.443 -5.847 424 HZ1 LYS 52 1HZ LYS 52 18.328 -1.226 -5.430 425 HZ2 LYS 52 2HZ LYS 52 18.593 -2.892 -5.310 426 HZ3 LYS 52 3HZ LYS 52 17.727 -2.084 -4.102 427 H GLY 53 H GLY 53 11.720 -0.804 -8.168 428 HA2 GLY 53 2HA GLY 53 10.050 -2.760 -9.434 429 HA3 GLY 53 3HA GLY 53 9.518 -1.466 -8.369 430 H LEU 54 H LEU 54 11.132 0.336 -10.345 431 HA LEU 54 HA LEU 54 8.833 1.066 -11.904 432 HB2 LEU 54 2HB LEU 54 11.001 2.413 -10.912 433 HB3 LEU 54 3HB LEU 54 11.384 2.298 -12.629 434 HG LEU 54 HG LEU 54 8.848 3.485 -11.503 435 HD11 LEU 54 1HD1 LEU 54 10.181 5.523 -12.691 436 HD12 LEU 54 2HD1 LEU 54 11.516 4.606 -11.992 437 HD13 LEU 54 3HD1 LEU 54 10.208 5.184 -10.960 438 HD21 LEU 54 1HD2 LEU 54 8.279 2.829 -13.636 439 HD22 LEU 54 2HD2 LEU 54 9.914 3.050 -14.258 440 HD23 LEU 54 3HD2 LEU 54 8.899 4.454 -13.925 441 H LYS 55 H LYS 55 9.776 -1.543 -12.497 442 HA LYS 55 HA LYS 55 11.033 -1.282 -15.128 443 HB2 LYS 55 2HB LYS 55 10.976 -3.863 -14.958 444 HB3 LYS 55 3HB LYS 55 12.110 -2.977 -13.947 445 HG2 LYS 55 2HG LYS 55 11.031 -4.748 -12.692 446 HG3 LYS 55 3HG LYS 55 10.577 -3.165 -12.056 447 HD2 LYS 55 2HD LYS 55 8.420 -3.300 -12.919 448 HD3 LYS 55 3HD LYS 55 8.866 -4.537 -14.098 449 HE2 LYS 55 2HE LYS 55 8.850 -6.231 -12.514 450 HE3 LYS 55 3HE LYS 55 9.059 -5.111 -11.168 451 HZ1 LYS 55 1HZ LYS 55 6.600 -5.308 -12.819 452 HZ2 LYS 55 2HZ LYS 55 6.812 -4.366 -11.431 453 HZ3 LYS 55 3HZ LYS 55 6.804 -6.054 -11.314 454 H GLU 56 H GLU 56 8.238 -0.496 -14.555 455 HA GLU 56 HA GLU 56 6.830 -2.409 -16.296 456 HB2 GLU 56 2HB GLU 56 6.003 -1.775 -13.883 457 HB3 GLU 56 3HB GLU 56 5.398 -0.333 -14.686 458 HG2 GLU 56 2HG GLU 56 4.510 -2.321 -16.333 459 HG3 GLU 56 3HG GLU 56 4.402 -3.073 -14.743 460 H ILE 57 H ILE 57 8.310 -0.991 -17.832 461 HA ILE 57 HA ILE 57 7.210 1.575 -18.530 462 HB ILE 57 HB ILE 57 9.612 1.067 -18.828 463 HG12 ILE 57 2HG1 ILE 57 9.776 1.963 -21.184 464 HG13 ILE 57 3HG1 ILE 57 8.029 1.778 -21.303 465 HG21 ILE 57 1HG2 ILE 57 9.236 -0.402 -21.329 466 HG22 ILE 57 2HG2 ILE 57 10.396 -0.655 -20.026 467 HG23 ILE 57 3HG2 ILE 57 8.761 -1.300 -19.888 468 HD11 ILE 57 1HD1 ILE 57 8.914 4.079 -20.729 469 HD12 ILE 57 2HD1 ILE 57 7.642 3.435 -19.691 470 HD13 ILE 57 3HD1 ILE 57 9.320 3.414 -19.147 471 H LYS 58 H LYS 58 5.719 2.035 -20.030 472 HA LYS 58 HA LYS 58 4.846 -0.125 -21.832 473 HB2 LYS 58 2HB LYS 58 3.154 1.803 -20.246 474 HB3 LYS 58 3HB LYS 58 2.528 0.895 -21.616 475 HG2 LYS 58 2HG LYS 58 2.981 -1.192 -20.491 476 HG3 LYS 58 3HG LYS 58 3.736 -0.334 -19.146 477 HD2 LYS 58 2HD LYS 58 0.896 0.205 -19.959 478 HD3 LYS 58 3HD LYS 58 1.308 -1.116 -18.863 479 HE2 LYS 58 2HE LYS 58 1.270 0.350 -17.193 480 HE3 LYS 58 3HE LYS 58 2.692 1.114 -17.900 481 HZ1 LYS 58 1HZ LYS 58 1.239 2.860 -17.799 482 HZ2 LYS 58 2HZ LYS 58 -0.128 1.907 -18.089 483 HZ3 LYS 58 3HZ LYS 58 0.916 2.298 -19.362 484 H CYS 59 H CYS 59 6.719 1.576 -22.729 485 HA CYS 59 HA CYS 59 6.055 4.009 -23.797 486 HB2 CYS 59 2HB CYS 59 8.301 2.988 -23.934 487 HB3 CYS 59 3HB CYS 59 7.706 1.868 -25.155 488 H GLY 60 H GLY 60 4.161 4.442 -24.760 489 HA2 GLY 60 2HA GLY 60 2.568 4.485 -26.418 490 HA3 GLY 60 3HA GLY 60 3.644 3.484 -27.381 491 H GLY 61 H GLY 61 2.367 1.902 -28.140 492 HA2 GLY 61 2HA GLY 61 0.420 0.643 -26.361 493 HA3 GLY 61 3HA GLY 61 0.556 0.395 -28.095 494 H SER 62 H SER 62 2.239 -0.987 -28.890 495 HA SER 62 HA SER 62 2.690 -3.234 -27.138 496 HB2 SER 62 2HB SER 62 3.677 -2.855 -29.972 497 HB3 SER 62 3HB SER 62 3.517 -4.376 -29.094 498 HG SER 62 HG SER 62 1.724 -4.223 -30.351 499 H TRP 63 H TRP 63 5.037 -4.293 -27.661 500 HA TRP 63 HA TRP 63 7.076 -2.232 -27.192 501 HB2 TRP 63 2HB TRP 63 6.112 -4.141 -25.268 502 HB3 TRP 63 3HB TRP 63 7.805 -4.466 -25.628 503 HD1 TRP 63 HD1 TRP 63 6.188 -2.923 -23.003 504 HE1 TRP 63 HE1 TRP 63 7.384 -0.835 -22.090 505 HE3 TRP 63 HE3 TRP 63 9.238 -1.930 -26.984 506 HZ2 TRP 63 HZ2 TRP 63 9.359 0.991 -22.944 507 HZ3 TRP 63 HZ3 TRP 63 10.751 0.007 -26.856 508 HH2 TRP 63 HH2 TRP 63 10.808 1.436 -24.877 509 H LEU 64 H LEU 64 8.441 -2.428 -28.840 510 HA LEU 64 HA LEU 64 9.218 -5.140 -29.695 511 HB2 LEU 64 2HB LEU 64 9.843 -3.903 -31.870 512 HB3 LEU 64 3HB LEU 64 8.151 -4.278 -31.551 513 HG LEU 64 HG LEU 64 9.018 -1.621 -30.640 514 HD11 LEU 64 1HD1 LEU 64 8.682 -0.849 -33.111 515 HD12 LEU 64 2HD1 LEU 64 9.259 -2.472 -33.488 516 HD13 LEU 64 3HD1 LEU 64 10.270 -1.374 -32.550 517 HD21 LEU 64 1HD2 LEU 64 6.876 -1.079 -31.936 518 HD22 LEU 64 2HD2 LEU 64 6.730 -2.070 -30.485 519 HD23 LEU 64 3HD2 LEU 64 6.676 -2.826 -32.078 520 H GLU 65 H GLU 65 10.870 -5.075 -28.045 521 HA GLU 65 HA GLU 65 13.172 -3.403 -28.813 522 HB2 GLU 65 2HB GLU 65 13.888 -3.399 -26.504 523 HB3 GLU 65 3HB GLU 65 12.231 -2.820 -26.597 524 HG2 GLU 65 2HG GLU 65 12.865 -5.682 -25.979 525 HG3 GLU 65 3HG GLU 65 12.825 -4.444 -24.726 526 H HIS 66 H HIS 66 15.153 -4.591 -27.386 527 HA HIS 66 HA HIS 66 16.743 -6.202 -27.751 528 HB2 HIS 66 2HB HIS 66 16.231 -8.240 -26.716 529 HB3 HIS 66 3HB HIS 66 15.115 -7.105 -25.963 530 HD1 HIS 66 HD1 HIS 66 15.169 -9.797 -28.622 531 HD2 HIS 66 HD2 HIS 66 12.470 -7.752 -26.216 532 HE1 HIS 66 HE1 HIS 66 12.959 -10.949 -28.961 Start of MODEL 5 1 H1 ALA 1 H ALA 1 3.884 -3.071 -3.458 2 HA ALA 1 HA ALA 1 2.706 -0.587 -2.463 3 HB1 ALA 1 1HB ALA 1 2.894 -1.730 -0.233 4 HB2 ALA 1 2HB ALA 1 1.840 -2.527 -1.401 5 HB3 ALA 1 3HB ALA 1 3.456 -3.162 -1.096 6 H SER 2 H SER 2 5.165 -0.270 -3.737 7 HA SER 2 HA SER 2 7.368 -0.324 -1.964 8 HB2 SER 2 2HB SER 2 7.149 1.637 -4.232 9 HB3 SER 2 3HB SER 2 8.571 0.774 -3.646 10 HG SER 2 HG SER 2 8.073 -0.871 -4.868 11 HA PRO 3 HA PRO 3 6.686 3.192 0.581 12 HB2 PRO 3 2HB PRO 3 9.252 3.889 1.127 13 HB3 PRO 3 3HB PRO 3 8.474 2.464 1.827 14 HG2 PRO 3 2HG PRO 3 10.341 2.650 -0.506 15 HG3 PRO 3 3HG PRO 3 10.314 1.466 0.814 16 HD2 PRO 3 2HD PRO 3 9.293 0.939 -1.638 17 HD3 PRO 3 3HD PRO 3 8.617 0.241 -0.152 18 H CYS 4 H CYS 4 8.699 3.456 -2.266 19 HA CYS 4 HA CYS 4 8.072 6.333 -2.386 20 HB2 CYS 4 2HB CYS 4 10.619 4.896 -3.112 21 HB3 CYS 4 3HB CYS 4 10.235 6.487 -3.760 22 H ASP 5 H ASP 5 6.465 4.246 -3.445 23 HA ASP 5 HA ASP 5 6.946 3.800 -6.195 24 HB2 ASP 5 2HB ASP 5 5.263 2.681 -4.466 25 HB3 ASP 5 3HB ASP 5 4.151 3.858 -5.160 26 H LYS 6 H LYS 6 5.419 6.388 -4.425 27 HA LYS 6 HA LYS 6 3.990 7.592 -6.520 28 HB2 LYS 6 2HB LYS 6 4.138 9.662 -5.135 29 HB3 LYS 6 3HB LYS 6 3.570 8.253 -4.248 30 HG2 LYS 6 2HG LYS 6 6.186 8.066 -3.722 31 HG3 LYS 6 3HG LYS 6 6.057 9.813 -3.946 32 HD2 LYS 6 2HD LYS 6 3.959 8.583 -2.282 33 HD3 LYS 6 3HD LYS 6 5.588 8.547 -1.604 34 HE2 LYS 6 2HE LYS 6 5.778 10.942 -1.827 35 HE3 LYS 6 3HE LYS 6 4.224 11.023 -2.656 36 HZ1 LYS 6 1HZ LYS 6 3.577 11.549 -0.559 37 HZ2 LYS 6 2HZ LYS 6 4.798 10.646 0.186 38 HZ3 LYS 6 3HZ LYS 6 3.436 9.866 -0.445 39 H GLN 7 H GLN 7 7.367 7.696 -5.638 40 HA GLN 7 HA GLN 7 8.078 9.953 -7.202 41 HB2 GLN 7 2HB GLN 7 9.549 7.748 -5.844 42 HB3 GLN 7 3HB GLN 7 10.404 8.668 -7.075 43 HG2 GLN 7 2HG GLN 7 10.866 9.627 -4.939 44 HG3 GLN 7 3HG GLN 7 9.849 10.742 -5.849 45 HE21 GLN 7 1HE2 GLN 7 8.960 7.820 -4.077 46 HE22 GLN 7 2HE2 GLN 7 7.904 8.605 -2.958 47 H LYS 8 H LYS 8 7.731 6.543 -7.884 48 HA LYS 8 HA LYS 8 9.077 6.565 -10.391 49 HB2 LYS 8 2HB LYS 8 8.640 4.348 -10.432 50 HB3 LYS 8 3HB LYS 8 8.183 4.601 -8.752 51 HG2 LYS 8 2HG LYS 8 5.833 4.933 -9.516 52 HG3 LYS 8 3HG LYS 8 6.354 4.467 -11.137 53 HD2 LYS 8 2HD LYS 8 7.216 2.327 -10.120 54 HD3 LYS 8 3HD LYS 8 6.390 2.794 -8.632 55 HE2 LYS 8 2HE LYS 8 4.266 2.711 -9.680 56 HE3 LYS 8 3HE LYS 8 4.985 2.604 -11.286 57 HZ1 LYS 8 1HZ LYS 8 4.702 0.527 -9.235 58 HZ2 LYS 8 2HZ LYS 8 6.020 0.441 -10.291 59 HZ3 LYS 8 3HZ LYS 8 4.443 0.434 -10.904 60 H ASN 9 H ASN 9 5.733 7.040 -9.389 61 HA ASN 9 HA ASN 9 4.660 7.076 -12.031 62 HB2 ASN 9 2HB ASN 9 3.108 6.565 -10.335 63 HB3 ASN 9 3HB ASN 9 3.614 7.928 -9.341 64 HD21 ASN 9 1HD2 ASN 9 1.787 9.057 -9.144 65 HD22 ASN 9 2HD2 ASN 9 0.865 9.686 -10.463 66 H TYR 10 H TYR 10 5.952 9.496 -9.849 67 HA TYR 10 HA TYR 10 5.048 11.765 -11.301 68 HB2 TYR 10 2HB TYR 10 5.618 12.299 -9.122 69 HB3 TYR 10 3HB TYR 10 7.058 11.288 -9.138 70 HD1 TYR 10 HD1 TYR 10 9.149 12.266 -9.426 71 HD2 TYR 10 HD2 TYR 10 5.677 14.419 -10.617 72 HE1 TYR 10 HE1 TYR 10 10.538 14.246 -9.877 73 HE2 TYR 10 HE2 TYR 10 7.057 16.404 -11.072 74 HH TYR 10 HH TYR 10 10.477 16.282 -11.170 75 H ILE 11 H ILE 11 8.009 9.846 -11.351 76 HA ILE 11 HA ILE 11 9.286 11.556 -13.291 77 HB ILE 11 HB ILE 11 10.082 8.808 -12.323 78 HG12 ILE 11 2HG1 ILE 11 9.997 10.593 -10.567 79 HG13 ILE 11 3HG1 ILE 11 11.605 9.929 -10.832 80 HG21 ILE 11 1HG2 ILE 11 11.291 8.991 -14.253 81 HG22 ILE 11 2HG2 ILE 11 11.318 10.753 -14.200 82 HG23 ILE 11 3HG2 ILE 11 12.376 9.822 -13.140 83 HD11 ILE 11 1HD1 ILE 11 10.793 12.390 -12.294 84 HD12 ILE 11 2HD1 ILE 11 11.249 12.496 -10.594 85 HD13 ILE 11 3HD1 ILE 11 12.393 11.860 -11.775 86 H ASP 12 H ASP 12 7.723 8.380 -13.283 87 HA ASP 12 HA ASP 12 8.252 7.721 -15.968 88 HB2 ASP 12 2HB ASP 12 7.444 6.143 -14.182 89 HB3 ASP 12 3HB ASP 12 5.845 6.862 -14.356 90 H LYS 13 H LYS 13 5.778 9.680 -14.465 91 HA LYS 13 HA LYS 13 4.198 9.885 -16.875 92 HB2 LYS 13 2HB LYS 13 2.689 11.179 -15.616 93 HB3 LYS 13 3HB LYS 13 3.306 9.985 -14.481 94 HG2 LYS 13 2HG LYS 13 4.835 11.633 -13.552 95 HG3 LYS 13 3HG LYS 13 4.260 12.833 -14.712 96 HD2 LYS 13 2HD LYS 13 1.975 11.789 -13.443 97 HD3 LYS 13 3HD LYS 13 3.158 12.095 -12.169 98 HE2 LYS 13 2HE LYS 13 3.137 14.345 -12.503 99 HE3 LYS 13 3HE LYS 13 2.818 14.196 -14.231 100 HZ1 LYS 13 1HZ LYS 13 0.700 13.368 -12.399 101 HZ2 LYS 13 2HZ LYS 13 0.590 14.124 -13.907 102 HZ3 LYS 13 3HZ LYS 13 0.994 15.028 -12.536 103 H GLN 14 H GLN 14 6.743 11.653 -15.303 104 HA GLN 14 HA GLN 14 6.383 13.964 -17.044 105 HB2 GLN 14 2HB GLN 14 8.142 13.377 -14.682 106 HB3 GLN 14 3HB GLN 14 8.483 14.742 -15.737 107 HG2 GLN 14 2HG GLN 14 5.878 14.299 -14.299 108 HG3 GLN 14 3HG GLN 14 7.181 15.340 -13.728 109 HE21 GLN 14 1HE2 GLN 14 4.435 15.095 -15.687 110 HE22 GLN 14 2HE2 GLN 14 4.530 16.647 -16.439 111 H LEU 15 H LEU 15 7.973 11.014 -17.098 112 HA LEU 15 HA LEU 15 10.088 12.008 -18.878 113 HB2 LEU 15 2HB LEU 15 10.725 10.602 -16.923 114 HB3 LEU 15 3HB LEU 15 9.809 9.276 -17.637 115 HG LEU 15 HG LEU 15 11.840 10.419 -19.414 116 HD11 LEU 15 1HD1 LEU 15 12.543 9.860 -16.685 117 HD12 LEU 15 2HD1 LEU 15 13.549 10.462 -18.002 118 HD13 LEU 15 3HD1 LEU 15 13.342 8.725 -17.773 119 HD21 LEU 15 1HD2 LEU 15 11.726 7.575 -18.555 120 HD22 LEU 15 2HD2 LEU 15 12.007 8.266 -20.154 121 HD23 LEU 15 3HD2 LEU 15 10.375 8.223 -19.486 122 H LEU 16 H LEU 16 7.048 10.642 -18.962 123 HA LEU 16 HA LEU 16 7.362 8.870 -21.179 124 HB2 LEU 16 2HB LEU 16 5.242 8.328 -20.767 125 HB3 LEU 16 3HB LEU 16 5.395 9.351 -19.340 126 HG LEU 16 HG LEU 16 4.595 11.238 -20.967 127 HD11 LEU 16 1HD1 LEU 16 2.907 9.273 -22.286 128 HD12 LEU 16 2HD1 LEU 16 4.604 9.135 -22.743 129 HD13 LEU 16 3HD1 LEU 16 3.758 10.668 -22.951 130 HD21 LEU 16 1HD2 LEU 16 3.111 10.970 -19.293 131 HD22 LEU 16 2HD2 LEU 16 3.129 9.210 -19.412 132 HD23 LEU 16 3HD2 LEU 16 2.162 10.161 -20.540 133 HA PRO 17 HA PRO 17 5.760 12.897 -23.433 134 HB2 PRO 17 2HB PRO 17 6.814 15.177 -22.404 135 HB3 PRO 17 3HB PRO 17 5.257 14.520 -21.886 136 HG2 PRO 17 2HG PRO 17 7.940 14.289 -20.578 137 HG3 PRO 17 3HG PRO 17 6.360 14.610 -19.840 138 HD2 PRO 17 2HD PRO 17 7.515 12.161 -19.803 139 HD3 PRO 17 3HD PRO 17 5.755 12.386 -19.868 140 H ILE 18 H ILE 18 8.965 12.941 -21.902 141 HA ILE 18 HA ILE 18 10.248 14.013 -24.243 142 HB ILE 18 HB ILE 18 12.348 13.642 -23.033 143 HG12 ILE 18 2HG1 ILE 18 10.654 12.511 -20.800 144 HG13 ILE 18 3HG1 ILE 18 11.570 11.513 -21.924 145 HG21 ILE 18 1HG2 ILE 18 10.094 15.185 -22.020 146 HG22 ILE 18 2HG2 ILE 18 11.317 14.855 -20.794 147 HG23 ILE 18 3HG2 ILE 18 11.768 15.668 -22.293 148 HD11 ILE 18 1HD1 ILE 18 13.331 13.462 -20.880 149 HD12 ILE 18 2HD1 ILE 18 12.442 12.752 -19.532 150 HD13 ILE 18 3HD1 ILE 18 13.347 11.716 -20.635 151 H VAL 19 H VAL 19 9.299 10.916 -23.193 152 HA VAL 19 HA VAL 19 11.322 9.439 -24.618 153 HB VAL 19 HB VAL 19 8.792 8.649 -23.199 154 HG11 VAL 19 1HG1 VAL 19 10.299 7.141 -25.236 155 HG12 VAL 19 2HG1 VAL 19 9.907 6.263 -23.756 156 HG13 VAL 19 3HG1 VAL 19 8.620 6.989 -24.719 157 HG21 VAL 19 1HG2 VAL 19 11.355 9.068 -22.319 158 HG22 VAL 19 2HG2 VAL 19 10.135 8.096 -21.496 159 HG23 VAL 19 3HG2 VAL 19 11.311 7.321 -22.557 160 H ASN 20 H ASN 20 7.828 9.991 -25.054 161 HA ASN 20 HA ASN 20 7.861 8.794 -27.676 162 HB2 ASN 20 2HB ASN 20 5.781 10.018 -25.912 163 HB3 ASN 20 3HB ASN 20 5.444 9.867 -27.634 164 HD21 ASN 20 1HD2 ASN 20 5.218 7.835 -28.544 165 HD22 ASN 20 2HD2 ASN 20 4.993 6.415 -27.586 166 H LYS 21 H LYS 21 8.756 11.761 -26.479 167 HA LYS 21 HA LYS 21 7.749 13.568 -28.378 168 HB2 LYS 21 2HB LYS 21 9.653 13.602 -26.236 169 HB3 LYS 21 3HB LYS 21 10.352 14.407 -27.635 170 HG2 LYS 21 2HG LYS 21 7.691 15.325 -27.378 171 HG3 LYS 21 3HG LYS 21 8.437 15.390 -25.779 172 HD2 LYS 21 2HD LYS 21 10.435 16.397 -27.295 173 HD3 LYS 21 3HD LYS 21 9.030 16.939 -28.217 174 HE2 LYS 21 2HE LYS 21 9.144 18.681 -26.776 175 HE3 LYS 21 3HE LYS 21 8.209 17.590 -25.755 176 HZ1 LYS 21 1HZ LYS 21 11.164 17.878 -25.673 177 HZ2 LYS 21 2HZ LYS 21 10.224 16.912 -24.650 178 HZ3 LYS 21 3HZ LYS 21 10.090 18.597 -24.581 179 H ALA 22 H ALA 22 10.723 11.638 -28.341 180 HA ALA 22 HA ALA 22 11.510 12.608 -30.954 181 HB1 ALA 22 1HB ALA 22 12.997 11.845 -28.899 182 HB2 ALA 22 2HB ALA 22 12.863 10.280 -29.703 183 HB3 ALA 22 3HB ALA 22 13.544 11.659 -30.566 184 H GLY 23 H GLY 23 10.101 9.710 -29.537 185 HA2 GLY 23 2HA GLY 23 8.685 8.862 -31.711 186 HA3 GLY 23 3HA GLY 23 10.281 8.167 -31.956 187 H CYS 24 H CYS 24 11.124 6.743 -30.291 188 HA CYS 24 HA CYS 24 9.855 5.815 -28.056 189 HB2 CYS 24 2HB CYS 24 8.402 5.058 -30.413 190 HB3 CYS 24 3HB CYS 24 9.052 3.614 -29.644 191 H SER 25 H SER 25 12.004 5.516 -27.490 192 HA SER 25 HA SER 25 13.679 3.705 -28.993 193 HB2 SER 25 2HB SER 25 15.427 4.327 -27.529 194 HB3 SER 25 3HB SER 25 14.466 5.794 -27.722 195 HG SER 25 HG SER 25 14.489 3.996 -25.535 196 H ARG 26 H ARG 26 15.067 2.410 -26.965 197 HA ARG 26 HA ARG 26 13.312 0.202 -26.462 198 HB2 ARG 26 2HB ARG 26 15.319 -0.786 -25.340 199 HB3 ARG 26 3HB ARG 26 15.596 -0.282 -27.002 200 HG2 ARG 26 2HG ARG 26 16.283 1.951 -25.547 201 HG3 ARG 26 3HG ARG 26 16.856 0.614 -24.546 202 HD2 ARG 26 2HD ARG 26 17.557 1.217 -27.410 203 HD3 ARG 26 3HD ARG 26 18.632 1.208 -26.012 204 HE ARG 26 HE ARG 26 17.582 -1.338 -26.193 205 HH11 ARG 26 1HH1 ARG 26 19.504 0.774 -28.184 206 HH12 ARG 26 2HH1 ARG 26 20.348 -0.520 -28.968 207 HH21 ARG 26 1HH2 ARG 26 18.686 -3.050 -27.218 208 HH22 ARG 26 2HH2 ARG 26 19.882 -2.695 -28.418 209 HA PRO 27 HA PRO 27 11.874 1.234 -22.439 210 HB2 PRO 27 2HB PRO 27 11.491 -1.254 -21.421 211 HB3 PRO 27 3HB PRO 27 10.435 -0.545 -22.648 212 HG2 PRO 27 2HG PRO 27 12.683 -2.493 -22.980 213 HG3 PRO 27 3HG PRO 27 11.084 -2.490 -23.746 214 HD2 PRO 27 2HD PRO 27 13.308 -1.612 -25.015 215 HD3 PRO 27 3HD PRO 27 11.701 -0.922 -25.319 216 H GLU 28 H GLU 28 14.588 -0.969 -22.785 217 HA GLU 28 HA GLU 28 15.349 -1.038 -20.060 218 HB2 GLU 28 2HB GLU 28 16.177 -2.296 -22.374 219 HB3 GLU 28 3HB GLU 28 17.551 -1.277 -21.968 220 HG2 GLU 28 2HG GLU 28 16.958 -2.375 -19.553 221 HG3 GLU 28 3HG GLU 28 16.535 -3.684 -20.655 222 H GLU 29 H GLU 29 16.233 1.061 -22.758 223 HA GLU 29 HA GLU 29 18.197 2.520 -21.267 224 HB2 GLU 29 2HB GLU 29 18.542 2.514 -23.593 225 HB3 GLU 29 3HB GLU 29 16.864 2.917 -23.932 226 HG2 GLU 29 2HG GLU 29 18.333 4.798 -24.376 227 HG3 GLU 29 3HG GLU 29 17.209 5.162 -23.068 228 H VAL 30 H VAL 30 14.775 2.824 -21.874 229 HA VAL 30 HA VAL 30 14.398 5.509 -21.177 230 HB VAL 30 HB VAL 30 12.533 3.158 -20.834 231 HG11 VAL 30 1HG1 VAL 30 10.978 5.411 -21.095 232 HG12 VAL 30 2HG1 VAL 30 11.300 4.546 -19.590 233 HG13 VAL 30 3HG1 VAL 30 12.278 5.947 -20.031 234 HG21 VAL 30 1HG2 VAL 30 13.473 4.410 -23.133 235 HG22 VAL 30 2HG2 VAL 30 12.072 3.346 -23.006 236 HG23 VAL 30 3HG2 VAL 30 11.867 5.093 -22.876 237 H GLU 31 H GLU 31 14.643 2.607 -19.196 238 HA GLU 31 HA GLU 31 13.783 3.669 -16.758 239 HB2 GLU 31 2HB GLU 31 14.253 1.241 -17.301 240 HB3 GLU 31 3HB GLU 31 15.959 1.603 -17.077 241 HG2 GLU 31 2HG GLU 31 15.641 2.112 -14.785 242 HG3 GLU 31 3HG GLU 31 13.887 2.094 -14.959 243 H GLU 32 H GLU 32 16.903 3.812 -18.368 244 HA GLU 32 HA GLU 32 18.422 4.786 -16.211 245 HB2 GLU 32 2HB GLU 32 18.772 4.399 -19.055 246 HB3 GLU 32 3HB GLU 32 19.494 5.918 -18.542 247 HG2 GLU 32 2HG GLU 32 21.193 4.890 -17.553 248 HG3 GLU 32 3HG GLU 32 20.129 3.749 -16.732 249 H ARG 33 H ARG 33 16.508 6.434 -18.681 250 HA ARG 33 HA ARG 33 17.270 9.064 -18.077 251 HB2 ARG 33 2HB ARG 33 14.640 8.039 -19.161 252 HB3 ARG 33 3HB ARG 33 15.156 9.720 -19.183 253 HG2 ARG 33 2HG ARG 33 17.136 7.979 -20.372 254 HG3 ARG 33 3HG ARG 33 15.565 7.832 -21.162 255 HD2 ARG 33 2HD ARG 33 15.540 10.375 -21.232 256 HD3 ARG 33 3HD ARG 33 17.246 10.297 -20.792 257 HE ARG 33 HE ARG 33 16.081 9.674 -23.350 258 HH11 ARG 33 1HH1 ARG 33 18.804 9.195 -21.235 259 HH12 ARG 33 2HH1 ARG 33 19.900 8.808 -22.520 260 HH21 ARG 33 1HH2 ARG 33 17.513 9.166 -25.050 261 HH22 ARG 33 2HH2 ARG 33 19.165 8.792 -24.690 262 H ILE 34 H ILE 34 14.962 6.909 -16.580 263 HA ILE 34 HA ILE 34 13.465 8.758 -15.111 264 HB ILE 34 HB ILE 34 14.216 5.964 -14.245 265 HG12 ILE 34 2HG1 ILE 34 11.905 6.934 -15.942 266 HG13 ILE 34 3HG1 ILE 34 13.254 5.945 -16.491 267 HG21 ILE 34 1HG2 ILE 34 12.913 7.900 -12.817 268 HG22 ILE 34 2HG2 ILE 34 11.579 7.017 -13.558 269 HG23 ILE 34 3HG2 ILE 34 12.755 6.162 -12.560 270 HD11 ILE 34 1HD1 ILE 34 12.216 4.514 -14.375 271 HD12 ILE 34 2HD1 ILE 34 10.793 5.170 -15.186 272 HD13 ILE 34 3HD1 ILE 34 11.954 4.197 -16.090 273 H ARG 35 H ARG 35 16.566 7.228 -14.425 274 HA ARG 35 HA ARG 35 16.806 8.101 -11.752 275 HB2 ARG 35 2HB ARG 35 18.668 7.049 -13.825 276 HB3 ARG 35 3HB ARG 35 19.370 7.864 -12.434 277 HG2 ARG 35 2HG ARG 35 17.324 5.875 -11.771 278 HG3 ARG 35 3HG ARG 35 18.767 5.223 -12.549 279 HD2 ARG 35 2HD ARG 35 19.522 7.144 -10.562 280 HD3 ARG 35 3HD ARG 35 18.431 5.955 -9.852 281 HE ARG 35 HE ARG 35 20.425 4.667 -11.388 282 HH11 ARG 35 1HH1 ARG 35 19.949 6.343 -8.375 283 HH12 ARG 35 2HH1 ARG 35 21.236 5.516 -7.561 284 HH21 ARG 35 1HH2 ARG 35 22.122 3.571 -10.329 285 HH22 ARG 35 2HH2 ARG 35 22.472 3.940 -8.674 286 H ARG 36 H ARG 36 17.603 9.586 -14.832 287 HA ARG 36 HA ARG 36 19.195 11.694 -13.907 288 HB2 ARG 36 2HB ARG 36 19.062 11.187 -16.265 289 HB3 ARG 36 3HB ARG 36 17.340 11.540 -16.285 290 HG2 ARG 36 2HG ARG 36 18.547 13.367 -17.271 291 HG3 ARG 36 3HG ARG 36 17.844 13.890 -15.740 292 HD2 ARG 36 2HD ARG 36 19.852 14.262 -14.813 293 HD3 ARG 36 3HD ARG 36 20.539 12.786 -15.489 294 HE ARG 36 HE ARG 36 20.152 14.891 -17.414 295 HH11 ARG 36 1HH1 ARG 36 22.307 13.512 -15.053 296 HH12 ARG 36 2HH1 ARG 36 23.733 14.194 -15.764 297 HH21 ARG 36 1HH2 ARG 36 22.022 15.793 -18.360 298 HH22 ARG 36 2HH2 ARG 36 23.569 15.492 -17.645 299 H ALA 37 H ALA 37 15.683 11.528 -14.423 300 HA ALA 37 HA ALA 37 15.145 14.181 -13.606 301 HB1 ALA 37 1HB ALA 37 13.465 11.723 -13.923 302 HB2 ALA 37 2HB ALA 37 12.787 13.201 -13.239 303 HB3 ALA 37 3HB ALA 37 13.456 13.210 -14.871 304 H LEU 38 H LEU 38 15.447 11.151 -11.869 305 HA LEU 38 HA LEU 38 14.280 11.942 -9.438 306 HB2 LEU 38 2HB LEU 38 14.598 9.740 -9.260 307 HB3 LEU 38 3HB LEU 38 15.929 9.753 -10.415 308 HG LEU 38 HG LEU 38 17.364 10.611 -8.479 309 HD11 LEU 38 1HD1 LEU 38 15.991 9.340 -6.399 310 HD12 LEU 38 2HD1 LEU 38 14.814 10.398 -7.176 311 HD13 LEU 38 3HD1 LEU 38 16.331 11.062 -6.570 312 HD21 LEU 38 1HD2 LEU 38 17.955 8.492 -9.030 313 HD22 LEU 38 2HD2 LEU 38 16.303 7.883 -8.928 314 HD23 LEU 38 3HD2 LEU 38 17.238 8.150 -7.455 315 H LYS 39 H LYS 39 17.378 12.601 -10.849 316 HA LYS 39 HA LYS 39 18.904 13.222 -8.615 317 HB2 LYS 39 2HB LYS 39 19.833 13.129 -10.874 318 HB3 LYS 39 3HB LYS 39 18.912 14.557 -11.329 319 HG2 LYS 39 2HG LYS 39 20.448 15.173 -9.015 320 HG3 LYS 39 3HG LYS 39 21.501 14.418 -10.213 321 HD2 LYS 39 2HD LYS 39 21.536 16.762 -10.625 322 HD3 LYS 39 3HD LYS 39 20.566 16.026 -11.902 323 HE2 LYS 39 2HE LYS 39 18.530 16.695 -10.815 324 HE3 LYS 39 3HE LYS 39 19.421 17.271 -9.407 325 HZ1 LYS 39 1HZ LYS 39 18.710 18.723 -11.648 326 HZ2 LYS 39 2HZ LYS 39 20.385 18.517 -11.756 327 HZ3 LYS 39 3HZ LYS 39 19.708 19.226 -10.378 328 H LYS 40 H LYS 40 16.244 14.923 -10.026 329 HA LYS 40 HA LYS 40 16.710 17.516 -9.099 330 HB2 LYS 40 2HB LYS 40 14.943 17.096 -10.673 331 HB3 LYS 40 3HB LYS 40 14.128 16.016 -9.550 332 HG2 LYS 40 2HG LYS 40 13.167 17.703 -8.413 333 HG3 LYS 40 3HG LYS 40 14.571 18.759 -8.581 334 HD2 LYS 40 2HD LYS 40 12.996 18.138 -11.023 335 HD3 LYS 40 3HD LYS 40 12.288 19.243 -9.844 336 HE2 LYS 40 2HE LYS 40 15.041 19.553 -11.034 337 HE3 LYS 40 3HE LYS 40 13.600 20.368 -11.640 338 HZ1 LYS 40 1HZ LYS 40 15.273 21.298 -9.701 339 HZ2 LYS 40 2HZ LYS 40 13.949 20.719 -8.823 340 HZ3 LYS 40 3HZ LYS 40 13.720 21.879 -10.032 341 H MET 41 H MET 41 15.900 14.652 -7.389 342 HA MET 41 HA MET 41 15.059 16.162 -5.024 343 HB2 MET 41 2HB MET 41 15.157 13.163 -5.242 344 HB3 MET 41 3HB MET 41 14.186 14.151 -4.157 345 HG2 MET 41 2HG MET 41 13.363 14.954 -6.660 346 HG3 MET 41 3HG MET 41 13.618 13.220 -6.844 347 HE1 MET 41 1HE MET 41 10.178 15.389 -5.330 348 HE2 MET 41 2HE MET 41 11.402 15.685 -4.095 349 HE3 MET 41 3HE MET 41 11.757 16.027 -5.789 350 H GLY 42 H GLY 42 17.732 14.434 -6.340 351 HA2 GLY 42 2HA GLY 42 19.881 14.186 -5.557 352 HA3 GLY 42 3HA GLY 42 19.448 15.238 -4.217 353 H ASP 43 H ASP 43 17.203 12.862 -4.194 354 HA ASP 43 HA ASP 43 18.784 11.231 -2.318 355 HB2 ASP 43 2HB ASP 43 16.125 12.441 -2.119 356 HB3 ASP 43 3HB ASP 43 16.145 10.731 -1.697 357 H THR 44 H THR 44 19.459 9.883 -4.082 358 HA THR 44 HA THR 44 17.404 8.339 -5.450 359 HB THR 44 HB THR 44 19.092 7.514 -6.873 360 HG1 THR 44 HG1 THR 44 20.812 6.887 -5.770 361 HG21 THR 44 1HG2 THR 44 18.718 10.210 -6.585 362 HG22 THR 44 2HG2 THR 44 19.606 9.445 -7.903 363 HG23 THR 44 3HG2 THR 44 20.474 10.070 -6.500 364 H SER 45 H SER 45 18.364 8.147 -2.481 365 HA SER 45 HA SER 45 19.401 5.504 -2.219 366 HB2 SER 45 2HB SER 45 19.077 5.799 0.157 367 HB3 SER 45 3HB SER 45 19.683 7.315 -0.509 368 HG SER 45 HG SER 45 17.891 8.258 0.050 369 H CYS 46 H CYS 46 16.175 6.934 -1.898 370 HA CYS 46 HA CYS 46 14.993 4.314 -1.437 371 HB2 CYS 46 2HB CYS 46 14.236 6.348 -0.180 372 HB3 CYS 46 3HB CYS 46 13.606 6.988 -1.694 373 H PHE 47 H PHE 47 15.499 6.566 -4.002 374 HA PHE 47 HA PHE 47 13.419 5.606 -5.716 375 HB2 PHE 47 2HB PHE 47 14.675 7.882 -5.781 376 HB3 PHE 47 3HB PHE 47 15.889 7.002 -6.704 377 HD1 PHE 47 HD1 PHE 47 12.944 8.898 -6.899 378 HD2 PHE 47 HD2 PHE 47 14.958 5.628 -8.734 379 HE1 PHE 47 HE1 PHE 47 11.623 9.237 -8.947 380 HE2 PHE 47 HE2 PHE 47 13.641 5.962 -10.784 381 HZ PHE 47 HZ PHE 47 11.971 7.769 -10.893 382 H ASP 48 H ASP 48 16.769 4.788 -5.150 383 HA ASP 48 HA ASP 48 17.374 3.352 -7.441 384 HB2 ASP 48 2HB ASP 48 19.046 3.846 -5.739 385 HB3 ASP 48 3HB ASP 48 18.221 2.795 -4.591 386 H GLU 49 H GLU 49 15.472 2.416 -4.644 387 HA GLU 49 HA GLU 49 15.284 -0.346 -5.381 388 HB2 GLU 49 2HB GLU 49 13.857 1.382 -3.374 389 HB3 GLU 49 3HB GLU 49 13.365 -0.281 -3.664 390 HG2 GLU 49 2HG GLU 49 15.511 -1.099 -2.978 391 HG3 GLU 49 3HG GLU 49 16.140 0.543 -2.848 392 H ILE 50 H ILE 50 13.136 2.466 -5.631 393 HA ILE 50 HA ILE 50 10.992 1.058 -6.846 394 HB ILE 50 HB ILE 50 9.923 3.103 -7.104 395 HG12 ILE 50 2HG1 ILE 50 11.586 5.236 -6.875 396 HG13 ILE 50 3HG1 ILE 50 12.649 4.090 -7.685 397 HG21 ILE 50 1HG2 ILE 50 9.933 3.864 -4.988 398 HG22 ILE 50 2HG2 ILE 50 11.075 2.548 -4.720 399 HG23 ILE 50 3HG2 ILE 50 11.667 4.186 -5.001 400 HD11 ILE 50 1HD1 ILE 50 11.724 4.748 -9.585 401 HD12 ILE 50 2HD1 ILE 50 10.253 3.921 -9.072 402 HD13 ILE 50 3HD1 ILE 50 10.461 5.640 -8.737 403 H LEU 51 H LEU 51 13.885 2.565 -8.060 404 HA LEU 51 HA LEU 51 13.189 2.927 -10.738 405 HB2 LEU 51 2HB LEU 51 15.331 3.505 -10.999 406 HB3 LEU 51 3HB LEU 51 15.424 3.328 -9.248 407 HG LEU 51 HG LEU 51 16.070 0.860 -9.823 408 HD11 LEU 51 1HD1 LEU 51 15.963 0.539 -12.053 409 HD12 LEU 51 2HD1 LEU 51 17.590 1.217 -12.004 410 HD13 LEU 51 3HD1 LEU 51 16.219 2.244 -12.424 411 HD21 LEU 51 1HD2 LEU 51 18.449 2.185 -10.473 412 HD22 LEU 51 2HD2 LEU 51 17.909 1.666 -8.876 413 HD23 LEU 51 3HD2 LEU 51 17.545 3.296 -9.445 414 H LYS 52 H LYS 52 14.060 0.047 -8.971 415 HA LYS 52 HA LYS 52 14.571 -1.608 -11.224 416 HB2 LYS 52 2HB LYS 52 14.461 -1.895 -8.350 417 HB3 LYS 52 3HB LYS 52 13.660 -3.248 -9.138 418 HG2 LYS 52 2HG LYS 52 15.791 -4.043 -9.041 419 HG3 LYS 52 3HG LYS 52 15.835 -3.249 -10.616 420 HD2 LYS 52 2HD LYS 52 17.662 -2.219 -9.816 421 HD3 LYS 52 3HD LYS 52 16.512 -1.204 -8.941 422 HE2 LYS 52 2HE LYS 52 17.852 -3.698 -7.899 423 HE3 LYS 52 3HE LYS 52 18.239 -2.039 -7.444 424 HZ1 LYS 52 1HZ LYS 52 15.942 -1.834 -6.600 425 HZ2 LYS 52 2HZ LYS 52 16.851 -2.996 -5.772 426 HZ3 LYS 52 3HZ LYS 52 15.699 -3.479 -6.912 427 H GLY 53 H GLY 53 11.703 -1.053 -9.207 428 HA2 GLY 53 2HA GLY 53 10.082 -2.916 -10.666 429 HA3 GLY 53 3HA GLY 53 9.520 -1.760 -9.468 430 H LEU 54 H LEU 54 11.066 0.297 -11.229 431 HA LEU 54 HA LEU 54 8.742 1.110 -12.712 432 HB2 LEU 54 2HB LEU 54 10.784 2.448 -11.533 433 HB3 LEU 54 3HB LEU 54 11.291 2.486 -13.220 434 HG LEU 54 HG LEU 54 8.688 3.549 -12.122 435 HD11 LEU 54 1HD1 LEU 54 9.975 5.641 -13.258 436 HD12 LEU 54 2HD1 LEU 54 11.334 4.729 -12.603 437 HD13 LEU 54 3HD1 LEU 54 10.029 5.253 -11.538 438 HD21 LEU 54 1HD2 LEU 54 8.261 2.785 -14.319 439 HD22 LEU 54 2HD2 LEU 54 9.801 3.405 -14.914 440 HD23 LEU 54 3HD2 LEU 54 8.520 4.525 -14.445 441 H LYS 55 H LYS 55 9.807 -1.378 -13.582 442 HA LYS 55 HA LYS 55 11.042 -0.763 -16.165 443 HB2 LYS 55 2HB LYS 55 11.154 -3.336 -16.285 444 HB3 LYS 55 3HB LYS 55 12.214 -2.512 -15.149 445 HG2 LYS 55 2HG LYS 55 11.248 -4.467 -14.119 446 HG3 LYS 55 3HG LYS 55 10.636 -3.008 -13.336 447 HD2 LYS 55 2HD LYS 55 8.535 -3.206 -14.368 448 HD3 LYS 55 3HD LYS 55 9.135 -4.360 -15.561 449 HE2 LYS 55 2HE LYS 55 8.941 -6.117 -14.151 450 HE3 LYS 55 3HE LYS 55 9.400 -5.169 -12.738 451 HZ1 LYS 55 1HZ LYS 55 6.959 -6.038 -13.080 452 HZ2 LYS 55 2HZ LYS 55 6.809 -4.610 -13.973 453 HZ3 LYS 55 3HZ LYS 55 7.265 -4.546 -12.345 454 H GLU 56 H GLU 56 8.179 -0.270 -15.441 455 HA GLU 56 HA GLU 56 6.916 -1.986 -17.476 456 HB2 GLU 56 2HB GLU 56 4.757 -1.343 -16.359 457 HB3 GLU 56 3HB GLU 56 5.830 -2.336 -15.383 458 HG2 GLU 56 2HG GLU 56 5.974 -0.791 -13.799 459 HG3 GLU 56 3HG GLU 56 6.306 0.486 -14.967 460 H ILE 57 H ILE 57 8.225 -0.136 -18.701 461 HA ILE 57 HA ILE 57 6.814 2.366 -18.912 462 HB ILE 57 HB ILE 57 9.294 2.118 -19.263 463 HG12 ILE 57 2HG1 ILE 57 7.375 3.677 -20.743 464 HG13 ILE 57 3HG1 ILE 57 8.962 4.149 -20.145 465 HG21 ILE 57 1HG2 ILE 57 10.106 1.332 -21.398 466 HG22 ILE 57 2HG2 ILE 57 9.174 0.058 -20.614 467 HG23 ILE 57 3HG2 ILE 57 8.461 0.989 -21.931 468 HD11 ILE 57 1HD1 ILE 57 8.850 4.484 -22.521 469 HD12 ILE 57 2HD1 ILE 57 9.974 3.171 -22.166 470 HD13 ILE 57 3HD1 ILE 57 8.357 2.809 -22.769 471 H LYS 58 H LYS 58 5.298 2.937 -20.355 472 HA LYS 58 HA LYS 58 4.608 0.988 -22.457 473 HB2 LYS 58 2HB LYS 58 2.874 2.588 -20.608 474 HB3 LYS 58 3HB LYS 58 2.262 2.118 -22.188 475 HG2 LYS 58 2HG LYS 58 1.524 0.353 -20.974 476 HG3 LYS 58 3HG LYS 58 3.122 -0.261 -21.405 477 HD2 LYS 58 2HD LYS 58 3.919 -0.058 -19.287 478 HD3 LYS 58 3HD LYS 58 2.934 1.364 -18.936 479 HE2 LYS 58 2HE LYS 58 1.838 -1.434 -19.171 480 HE3 LYS 58 3HE LYS 58 2.312 -0.688 -17.646 481 HZ1 LYS 58 1HZ LYS 58 -0.023 -0.202 -19.298 482 HZ2 LYS 58 2HZ LYS 58 0.693 1.178 -18.631 483 HZ3 LYS 58 3HZ LYS 58 0.165 -0.072 -17.622 484 H CYS 59 H CYS 59 6.456 2.784 -23.149 485 HA CYS 59 HA CYS 59 5.848 5.306 -23.966 486 HB2 CYS 59 2HB CYS 59 8.054 4.510 -24.334 487 HB3 CYS 59 3HB CYS 59 7.487 3.182 -25.341 488 H GLY 60 H GLY 60 4.951 2.294 -25.587 489 HA2 GLY 60 2HA GLY 60 2.856 3.747 -27.013 490 HA3 GLY 60 3HA GLY 60 4.040 2.896 -27.994 491 H GLY 61 H GLY 61 3.259 1.497 -24.952 492 HA2 GLY 61 2HA GLY 61 1.122 0.071 -24.886 493 HA3 GLY 61 3HA GLY 61 1.771 -0.616 -26.368 494 H SER 62 H SER 62 1.353 -2.490 -24.696 495 HA SER 62 HA SER 62 3.468 -2.875 -22.779 496 HB2 SER 62 2HB SER 62 2.415 -5.071 -22.396 497 HB3 SER 62 3HB SER 62 1.225 -3.771 -22.344 498 HG SER 62 HG SER 62 0.420 -4.407 -24.257 499 H TRP 63 H TRP 63 5.131 -2.539 -24.521 500 HA TRP 63 HA TRP 63 5.542 -4.690 -26.389 501 HB2 TRP 63 2HB TRP 63 7.669 -3.495 -26.898 502 HB3 TRP 63 3HB TRP 63 6.244 -2.467 -27.026 503 HD1 TRP 63 HD1 TRP 63 7.146 -2.955 -23.467 504 HE1 TRP 63 HE1 TRP 63 8.372 -0.882 -22.560 505 HE3 TRP 63 HE3 TRP 63 8.104 -0.578 -27.890 506 HZ2 TRP 63 HZ2 TRP 63 9.585 1.452 -23.583 507 HZ3 TRP 63 HZ3 TRP 63 9.301 1.571 -27.839 508 HH2 TRP 63 HH2 TRP 63 10.025 2.564 -25.729 509 H LEU 64 H LEU 64 8.131 -5.313 -26.380 510 HA LEU 64 HA LEU 64 9.116 -5.980 -23.768 511 HB2 LEU 64 2HB LEU 64 7.553 -7.909 -25.329 512 HB3 LEU 64 3HB LEU 64 9.110 -8.514 -24.767 513 HG LEU 64 HG LEU 64 7.501 -7.177 -22.705 514 HD11 LEU 64 1HD1 LEU 64 5.732 -8.601 -22.573 515 HD12 LEU 64 2HD1 LEU 64 6.586 -9.918 -23.376 516 HD13 LEU 64 3HD1 LEU 64 5.940 -8.579 -24.324 517 HD21 LEU 64 1HD2 LEU 64 9.623 -9.002 -22.887 518 HD22 LEU 64 2HD2 LEU 64 8.272 -9.891 -22.184 519 HD23 LEU 64 3HD2 LEU 64 8.837 -8.402 -21.426 520 H GLU 65 H GLU 65 10.980 -4.937 -24.473 521 HA GLU 65 HA GLU 65 12.696 -6.574 -26.168 522 HB2 GLU 65 2HB GLU 65 11.431 -4.424 -27.291 523 HB3 GLU 65 3HB GLU 65 12.942 -3.704 -26.753 524 HG2 GLU 65 2HG GLU 65 14.006 -4.557 -28.488 525 HG3 GLU 65 3HG GLU 65 13.512 -6.186 -28.029 526 H HIS 66 H HIS 66 14.887 -4.978 -26.342 527 HA HIS 66 HA HIS 66 15.495 -3.938 -23.693 528 HB2 HIS 66 2HB HIS 66 16.321 -6.561 -24.584 529 HB3 HIS 66 3HB HIS 66 17.724 -5.538 -24.289 530 HD1 HIS 66 HD1 HIS 66 14.468 -6.208 -22.416 531 HD2 HIS 66 HD2 HIS 66 18.551 -5.833 -21.745 532 HE1 HIS 66 HE1 HIS 66 14.779 -6.567 -19.947 Start of MODEL 6 1 H1 ALA 1 H ALA 1 0.346 1.057 1.368 2 HA ALA 1 HA ALA 1 1.828 3.181 2.658 3 HB1 ALA 1 1HB ALA 1 2.566 1.478 4.210 4 HB2 ALA 1 2HB ALA 1 0.823 1.354 3.969 5 HB3 ALA 1 3HB ALA 1 1.906 0.211 3.175 6 H SER 2 H SER 2 2.566 2.998 0.007 7 HA SER 2 HA SER 2 4.875 1.363 -0.366 8 HB2 SER 2 2HB SER 2 3.352 3.311 -1.927 9 HB3 SER 2 3HB SER 2 5.088 3.402 -2.221 10 HG SER 2 HG SER 2 3.634 1.802 -3.435 11 HA PRO 3 HA PRO 3 7.981 3.800 1.562 12 HB2 PRO 3 2HB PRO 3 10.129 3.113 0.050 13 HB3 PRO 3 3HB PRO 3 9.392 2.018 1.226 14 HG2 PRO 3 2HG PRO 3 9.034 2.127 -1.744 15 HG3 PRO 3 3HG PRO 3 9.240 0.714 -0.694 16 HD2 PRO 3 2HD PRO 3 6.821 1.498 -1.624 17 HD3 PRO 3 3HD PRO 3 7.029 0.719 -0.042 18 H CYS 4 H CYS 4 8.357 3.820 -1.992 19 HA CYS 4 HA CYS 4 8.218 6.720 -2.010 20 HB2 CYS 4 2HB CYS 4 10.709 5.173 -2.650 21 HB3 CYS 4 3HB CYS 4 10.378 6.692 -3.476 22 H ASP 5 H ASP 5 6.533 4.665 -3.040 23 HA ASP 5 HA ASP 5 6.954 4.187 -5.788 24 HB2 ASP 5 2HB ASP 5 4.765 3.319 -5.834 25 HB3 ASP 5 3HB ASP 5 5.323 3.011 -4.192 26 H LYS 6 H LYS 6 5.586 6.870 -4.033 27 HA LYS 6 HA LYS 6 4.185 8.116 -6.122 28 HB2 LYS 6 2HB LYS 6 4.599 10.226 -4.749 29 HB3 LYS 6 3HB LYS 6 3.758 8.909 -3.943 30 HG2 LYS 6 2HG LYS 6 5.320 8.767 -2.376 31 HG3 LYS 6 3HG LYS 6 6.612 8.699 -3.576 32 HD2 LYS 6 2HD LYS 6 7.023 10.630 -2.269 33 HD3 LYS 6 3HD LYS 6 6.361 11.205 -3.801 34 HE2 LYS 6 2HE LYS 6 4.617 12.145 -2.782 35 HE3 LYS 6 3HE LYS 6 4.267 10.670 -1.882 36 HZ1 LYS 6 1HZ LYS 6 5.631 11.317 -0.139 37 HZ2 LYS 6 2HZ LYS 6 4.878 12.765 -0.580 38 HZ3 LYS 6 3HZ LYS 6 6.469 12.458 -1.065 39 H GLN 7 H GLN 7 7.577 8.079 -5.280 40 HA GLN 7 HA GLN 7 8.366 10.267 -6.905 41 HB2 GLN 7 2HB GLN 7 9.735 8.071 -5.453 42 HB3 GLN 7 3HB GLN 7 10.628 8.828 -6.765 43 HG2 GLN 7 2HG GLN 7 11.223 9.942 -4.762 44 HG3 GLN 7 3HG GLN 7 10.192 11.034 -5.685 45 HE21 GLN 7 1HE2 GLN 7 9.348 8.273 -3.645 46 HE22 GLN 7 2HE2 GLN 7 8.373 9.167 -2.534 47 H LYS 8 H LYS 8 7.897 6.850 -7.490 48 HA LYS 8 HA LYS 8 9.198 6.787 -10.026 49 HB2 LYS 8 2HB LYS 8 8.686 4.571 -10.048 50 HB3 LYS 8 3HB LYS 8 8.404 4.863 -8.337 51 HG2 LYS 8 2HG LYS 8 6.496 3.744 -8.875 52 HG3 LYS 8 3HG LYS 8 5.968 5.403 -9.165 53 HD2 LYS 8 2HD LYS 8 7.030 4.760 -11.580 54 HD3 LYS 8 3HD LYS 8 6.403 3.195 -11.057 55 HE2 LYS 8 2HE LYS 8 4.447 5.157 -10.460 56 HE3 LYS 8 3HE LYS 8 4.986 5.427 -12.116 57 HZ1 LYS 8 1HZ LYS 8 4.696 2.775 -12.092 58 HZ2 LYS 8 2HZ LYS 8 3.477 3.847 -12.567 59 HZ3 LYS 8 3HZ LYS 8 3.484 3.216 -10.997 60 H ASN 9 H ASN 9 5.943 7.475 -8.936 61 HA ASN 9 HA ASN 9 4.741 7.363 -11.525 62 HB2 ASN 9 2HB ASN 9 3.324 7.041 -9.618 63 HB3 ASN 9 3HB ASN 9 3.834 8.570 -8.908 64 HD21 ASN 9 1HD2 ASN 9 1.874 9.533 -8.797 65 HD22 ASN 9 2HD2 ASN 9 0.927 9.956 -10.178 66 H TYR 10 H TYR 10 6.160 9.896 -9.539 67 HA TYR 10 HA TYR 10 5.323 12.080 -11.138 68 HB2 TYR 10 2HB TYR 10 5.984 12.769 -9.036 69 HB3 TYR 10 3HB TYR 10 7.360 11.672 -8.991 70 HD1 TYR 10 HD1 TYR 10 6.143 14.743 -10.723 71 HD2 TYR 10 HD2 TYR 10 9.497 12.500 -9.373 72 HE1 TYR 10 HE1 TYR 10 7.631 16.595 -11.361 73 HE2 TYR 10 HE2 TYR 10 10.994 14.347 -10.005 74 HH TYR 10 HH TYR 10 10.260 17.267 -10.372 75 H ILE 11 H ILE 11 8.194 10.032 -11.144 76 HA ILE 11 HA ILE 11 9.487 11.548 -13.227 77 HB ILE 11 HB ILE 11 10.180 8.821 -12.127 78 HG12 ILE 11 2HG1 ILE 11 10.224 10.668 -10.450 79 HG13 ILE 11 3HG1 ILE 11 11.805 9.953 -10.743 80 HG21 ILE 11 1HG2 ILE 11 12.498 9.736 -13.046 81 HG22 ILE 11 2HG2 ILE 11 11.377 8.829 -14.060 82 HG23 ILE 11 3HG2 ILE 11 11.425 10.590 -14.154 83 HD11 ILE 11 1HD1 ILE 11 10.946 12.412 -12.206 84 HD12 ILE 11 2HD1 ILE 11 11.611 12.505 -10.575 85 HD13 ILE 11 3HD1 ILE 11 12.574 11.817 -11.882 86 H ASP 12 H ASP 12 7.793 8.447 -12.974 87 HA ASP 12 HA ASP 12 8.191 7.621 -15.637 88 HB2 ASP 12 2HB ASP 12 7.423 6.145 -13.776 89 HB3 ASP 12 3HB ASP 12 5.854 6.944 -13.840 90 H LYS 13 H LYS 13 5.821 9.720 -14.141 91 HA LYS 13 HA LYS 13 4.179 9.867 -16.516 92 HB2 LYS 13 2HB LYS 13 2.718 11.205 -15.266 93 HB3 LYS 13 3HB LYS 13 3.378 10.083 -14.083 94 HG2 LYS 13 2HG LYS 13 3.669 11.957 -12.880 95 HG3 LYS 13 3HG LYS 13 5.143 12.094 -13.841 96 HD2 LYS 13 2HD LYS 13 4.044 14.213 -13.897 97 HD3 LYS 13 3HD LYS 13 3.841 13.466 -15.483 98 HE2 LYS 13 2HE LYS 13 1.680 14.023 -15.193 99 HE3 LYS 13 3HE LYS 13 1.633 12.556 -14.216 100 HZ1 LYS 13 1HZ LYS 13 1.083 15.150 -13.402 101 HZ2 LYS 13 2HZ LYS 13 2.532 14.718 -12.644 102 HZ3 LYS 13 3HZ LYS 13 1.153 13.760 -12.439 103 H GLN 14 H GLN 14 6.815 11.619 -15.092 104 HA GLN 14 HA GLN 14 6.451 13.885 -16.889 105 HB2 GLN 14 2HB GLN 14 8.343 13.323 -14.616 106 HB3 GLN 14 3HB GLN 14 8.572 14.693 -15.694 107 HG2 GLN 14 2HG GLN 14 6.031 14.217 -14.165 108 HG3 GLN 14 3HG GLN 14 7.376 15.169 -13.536 109 HE21 GLN 14 1HE2 GLN 14 4.963 14.956 -16.068 110 HE22 GLN 14 2HE2 GLN 14 4.968 16.634 -16.477 111 H LEU 15 H LEU 15 7.954 10.891 -16.915 112 HA LEU 15 HA LEU 15 10.029 11.771 -18.799 113 HB2 LEU 15 2HB LEU 15 10.672 10.386 -16.816 114 HB3 LEU 15 3HB LEU 15 9.721 9.070 -17.501 115 HG LEU 15 HG LEU 15 11.718 10.141 -19.345 116 HD11 LEU 15 1HD1 LEU 15 13.273 8.516 -17.690 117 HD12 LEU 15 2HD1 LEU 15 12.496 9.679 -16.615 118 HD13 LEU 15 3HD1 LEU 15 13.462 10.246 -17.978 119 HD21 LEU 15 1HD2 LEU 15 11.593 7.332 -18.358 120 HD22 LEU 15 2HD2 LEU 15 11.902 7.946 -19.983 121 HD23 LEU 15 3HD2 LEU 15 10.262 7.958 -19.331 122 H LEU 16 H LEU 16 6.952 10.474 -18.723 123 HA LEU 16 HA LEU 16 7.128 8.643 -20.903 124 HB2 LEU 16 2HB LEU 16 5.160 9.501 -19.058 125 HB3 LEU 16 3HB LEU 16 4.510 9.749 -20.677 126 HG LEU 16 HG LEU 16 4.793 7.410 -21.198 127 HD11 LEU 16 1HD1 LEU 16 5.420 6.251 -18.712 128 HD12 LEU 16 2HD1 LEU 16 6.635 7.493 -19.016 129 HD13 LEU 16 3HD1 LEU 16 6.367 6.214 -20.199 130 HD21 LEU 16 1HD2 LEU 16 3.264 8.278 -18.832 131 HD22 LEU 16 2HD2 LEU 16 3.463 6.536 -19.025 132 HD23 LEU 16 3HD2 LEU 16 2.720 7.486 -20.312 133 HA PRO 17 HA PRO 17 5.544 12.634 -23.229 134 HB2 PRO 17 2HB PRO 17 6.631 14.933 -22.279 135 HB3 PRO 17 3HB PRO 17 5.079 14.301 -21.718 136 HG2 PRO 17 2HG PRO 17 7.781 14.085 -20.449 137 HG3 PRO 17 3HG PRO 17 6.216 14.437 -19.694 138 HD2 PRO 17 2HD PRO 17 7.355 11.982 -19.611 139 HD3 PRO 17 3HD PRO 17 5.595 12.217 -19.652 140 H ILE 18 H ILE 18 8.775 12.682 -21.755 141 HA ILE 18 HA ILE 18 10.032 13.698 -24.133 142 HB ILE 18 HB ILE 18 12.143 13.333 -22.959 143 HG12 ILE 18 2HG1 ILE 18 10.444 12.095 -20.782 144 HG13 ILE 18 3HG1 ILE 18 11.532 11.212 -21.847 145 HG21 ILE 18 1HG2 ILE 18 10.993 15.382 -22.489 146 HG22 ILE 18 2HG2 ILE 18 9.969 14.588 -21.294 147 HG23 ILE 18 3HG2 ILE 18 11.694 14.784 -20.985 148 HD11 ILE 18 1HD1 ILE 18 12.095 12.676 -19.419 149 HD12 ILE 18 2HD1 ILE 18 13.071 11.483 -20.277 150 HD13 ILE 18 3HD1 ILE 18 13.130 13.179 -20.755 151 H VAL 19 H VAL 19 9.066 10.625 -23.016 152 HA VAL 19 HA VAL 19 11.035 9.111 -24.483 153 HB VAL 19 HB VAL 19 8.545 8.351 -22.976 154 HG11 VAL 19 1HG1 VAL 19 9.677 5.960 -23.512 155 HG12 VAL 19 2HG1 VAL 19 8.344 6.648 -24.441 156 HG13 VAL 19 3HG1 VAL 19 10.002 6.812 -25.021 157 HG21 VAL 19 1HG2 VAL 19 11.083 8.826 -22.125 158 HG22 VAL 19 2HG2 VAL 19 9.929 7.779 -21.300 159 HG23 VAL 19 3HG2 VAL 19 11.126 7.084 -22.393 160 H ASN 20 H ASN 20 7.529 9.673 -24.800 161 HA ASN 20 HA ASN 20 7.457 8.434 -27.400 162 HB2 ASN 20 2HB ASN 20 5.537 8.266 -25.870 163 HB3 ASN 20 3HB ASN 20 5.337 10.014 -25.928 164 HD21 ASN 20 1HD2 ASN 20 5.393 7.132 -27.966 165 HD22 ASN 20 2HD2 ASN 20 4.247 7.711 -29.122 166 H LYS 21 H LYS 21 8.435 11.407 -26.296 167 HA LYS 21 HA LYS 21 7.371 13.192 -28.187 168 HB2 LYS 21 2HB LYS 21 9.366 13.241 -26.124 169 HB3 LYS 21 3HB LYS 21 10.003 14.025 -27.563 170 HG2 LYS 21 2HG LYS 21 8.262 15.620 -27.584 171 HG3 LYS 21 3HG LYS 21 7.324 14.716 -26.392 172 HD2 LYS 21 2HD LYS 21 8.552 15.486 -24.644 173 HD3 LYS 21 3HD LYS 21 10.046 15.551 -25.583 174 HE2 LYS 21 2HE LYS 21 8.620 17.478 -26.815 175 HE3 LYS 21 3HE LYS 21 7.955 17.595 -25.186 176 HZ1 LYS 21 1HZ LYS 21 10.020 18.975 -25.790 177 HZ2 LYS 21 2HZ LYS 21 10.872 17.526 -25.600 178 HZ3 LYS 21 3HZ LYS 21 9.995 18.168 -24.303 179 H ALA 22 H ALA 22 10.330 11.237 -28.225 180 HA ALA 22 HA ALA 22 11.023 12.147 -30.885 181 HB1 ALA 22 1HB ALA 22 13.074 11.515 -30.317 182 HB2 ALA 22 2HB ALA 22 12.444 11.064 -28.732 183 HB3 ALA 22 3HB ALA 22 12.536 9.862 -30.019 184 H GLY 23 H GLY 23 9.692 9.264 -29.353 185 HA2 GLY 23 2HA GLY 23 8.159 8.385 -31.432 186 HA3 GLY 23 3HA GLY 23 9.742 7.699 -31.765 187 H CYS 24 H CYS 24 10.728 6.401 -30.006 188 HA CYS 24 HA CYS 24 9.514 5.458 -27.751 189 HB2 CYS 24 2HB CYS 24 8.108 4.553 -30.089 190 HB3 CYS 24 3HB CYS 24 8.830 3.172 -29.269 191 H SER 25 H SER 25 11.657 5.266 -27.155 192 HA SER 25 HA SER 25 13.470 3.577 -28.626 193 HB2 SER 25 2HB SER 25 13.810 5.684 -26.892 194 HB3 SER 25 3HB SER 25 14.248 4.301 -25.888 195 HG SER 25 HG SER 25 15.823 5.453 -27.516 196 H ARG 26 H ARG 26 14.868 2.283 -26.628 197 HA ARG 26 HA ARG 26 13.196 -0.011 -26.204 198 HB2 ARG 26 2HB ARG 26 15.951 0.389 -25.055 199 HB3 ARG 26 3HB ARG 26 15.153 -1.121 -25.474 200 HG2 ARG 26 2HG ARG 26 15.635 -0.924 -27.692 201 HG3 ARG 26 3HG ARG 26 15.648 0.840 -27.646 202 HD2 ARG 26 2HD ARG 26 17.789 0.838 -26.535 203 HD3 ARG 26 3HD ARG 26 17.760 -0.921 -26.411 204 HE ARG 26 HE ARG 26 17.583 0.056 -29.109 205 HH11 ARG 26 1HH1 ARG 26 19.730 -0.836 -26.518 206 HH12 ARG 26 2HH1 ARG 26 21.065 -1.179 -27.567 207 HH21 ARG 26 1HH2 ARG 26 19.334 -0.392 -30.501 208 HH22 ARG 26 2HH2 ARG 26 20.839 -0.924 -29.833 209 HA PRO 27 HA PRO 27 11.761 0.821 -22.135 210 HB2 PRO 27 2HB PRO 27 11.512 -1.711 -21.187 211 HB3 PRO 27 3HB PRO 27 10.409 -1.020 -22.383 212 HG2 PRO 27 2HG PRO 27 12.746 -2.845 -22.793 213 HG3 PRO 27 3HG PRO 27 11.140 -2.898 -23.543 214 HD2 PRO 27 2HD PRO 27 13.305 -1.876 -24.808 215 HD3 PRO 27 3HD PRO 27 11.663 -1.257 -25.075 216 H GLU 28 H GLU 28 14.597 -1.190 -22.591 217 HA GLU 28 HA GLU 28 15.380 -1.281 -19.858 218 HB2 GLU 28 2HB GLU 28 16.699 -1.896 -22.469 219 HB3 GLU 28 3HB GLU 28 17.696 -1.752 -21.029 220 HG2 GLU 28 2HG GLU 28 16.994 -4.072 -21.579 221 HG3 GLU 28 3HG GLU 28 16.556 -3.538 -19.958 222 H GLU 29 H GLU 29 16.186 0.831 -22.574 223 HA GLU 29 HA GLU 29 18.118 2.351 -21.107 224 HB2 GLU 29 2HB GLU 29 18.139 3.831 -23.036 225 HB3 GLU 29 3HB GLU 29 18.194 2.154 -23.561 226 HG2 GLU 29 2HG GLU 29 16.195 2.263 -24.584 227 HG3 GLU 29 3HG GLU 29 15.509 3.340 -23.369 228 H VAL 30 H VAL 30 14.682 2.513 -21.607 229 HA VAL 30 HA VAL 30 14.216 5.198 -20.952 230 HB VAL 30 HB VAL 30 12.473 2.768 -20.546 231 HG11 VAL 30 1HG1 VAL 30 11.207 4.060 -19.240 232 HG12 VAL 30 2HG1 VAL 30 12.121 5.512 -19.654 233 HG13 VAL 30 3HG1 VAL 30 10.811 4.964 -20.701 234 HG21 VAL 30 1HG2 VAL 30 11.782 3.031 -22.663 235 HG22 VAL 30 2HG2 VAL 30 11.742 4.790 -22.534 236 HG23 VAL 30 3HG2 VAL 30 13.264 3.965 -22.869 237 H GLU 31 H GLU 31 14.599 2.337 -18.925 238 HA GLU 31 HA GLU 31 13.801 3.451 -16.483 239 HB2 GLU 31 2HB GLU 31 14.275 1.007 -17.013 240 HB3 GLU 31 3HB GLU 31 15.978 1.388 -16.796 241 HG2 GLU 31 2HG GLU 31 15.316 2.264 -14.498 242 HG3 GLU 31 3HG GLU 31 13.779 1.442 -14.761 243 H GLU 32 H GLU 32 16.873 3.546 -18.189 244 HA GLU 32 HA GLU 32 18.453 4.576 -16.101 245 HB2 GLU 32 2HB GLU 32 18.698 4.208 -18.989 246 HB3 GLU 32 3HB GLU 32 19.547 5.634 -18.408 247 HG2 GLU 32 2HG GLU 32 21.023 4.418 -17.151 248 HG3 GLU 32 3HG GLU 32 19.915 3.060 -16.964 249 H ARG 33 H ARG 33 16.454 6.151 -18.548 250 HA ARG 33 HA ARG 33 17.243 8.797 -18.063 251 HB2 ARG 33 2HB ARG 33 14.613 7.685 -19.050 252 HB3 ARG 33 3HB ARG 33 15.021 9.396 -19.055 253 HG2 ARG 33 2HG ARG 33 16.697 7.337 -20.457 254 HG3 ARG 33 3HG ARG 33 15.328 8.142 -21.229 255 HD2 ARG 33 2HD ARG 33 17.219 9.941 -19.885 256 HD3 ARG 33 3HD ARG 33 17.890 9.057 -21.256 257 HE ARG 33 HE ARG 33 15.489 10.068 -22.133 258 HH11 ARG 33 1HH1 ARG 33 18.446 11.368 -20.837 259 HH12 ARG 33 2HH1 ARG 33 18.319 12.865 -21.700 260 HH21 ARG 33 1HH2 ARG 33 15.310 12.034 -23.275 261 HH22 ARG 33 2HH2 ARG 33 16.535 13.243 -23.086 262 H ILE 34 H ILE 34 14.990 6.699 -16.406 263 HA ILE 34 HA ILE 34 13.568 8.610 -14.935 264 HB ILE 34 HB ILE 34 14.311 5.830 -14.021 265 HG12 ILE 34 2HG1 ILE 34 11.971 6.789 -15.682 266 HG13 ILE 34 3HG1 ILE 34 13.278 5.743 -16.227 267 HG21 ILE 34 1HG2 ILE 34 11.711 6.932 -13.279 268 HG22 ILE 34 2HG2 ILE 34 12.911 6.095 -12.296 269 HG23 ILE 34 3HG2 ILE 34 13.077 7.823 -12.609 270 HD11 ILE 34 1HD1 ILE 34 12.145 4.526 -13.955 271 HD12 ILE 34 2HD1 ILE 34 10.815 5.040 -14.995 272 HD13 ILE 34 3HD1 ILE 34 12.079 3.990 -15.634 273 H ARG 35 H ARG 35 16.637 6.987 -14.271 274 HA ARG 35 HA ARG 35 16.990 7.974 -11.654 275 HB2 ARG 35 2HB ARG 35 18.708 6.705 -13.711 276 HB3 ARG 35 3HB ARG 35 19.533 7.622 -12.458 277 HG2 ARG 35 2HG ARG 35 17.468 5.760 -11.502 278 HG3 ARG 35 3HG ARG 35 18.881 5.016 -12.254 279 HD2 ARG 35 2HD ARG 35 19.664 7.140 -10.470 280 HD3 ARG 35 3HD ARG 35 18.650 5.964 -9.635 281 HE ARG 35 HE ARG 35 20.690 4.707 -11.179 282 HH11 ARG 35 1HH1 ARG 35 20.066 6.356 -8.177 283 HH12 ARG 35 2HH1 ARG 35 21.372 5.589 -7.334 284 HH21 ARG 35 1HH2 ARG 35 22.412 3.692 -10.080 285 HH22 ARG 35 2HH2 ARG 35 22.706 4.075 -8.418 286 H ARG 36 H ARG 36 17.756 9.289 -14.818 287 HA ARG 36 HA ARG 36 19.452 11.373 -14.025 288 HB2 ARG 36 2HB ARG 36 19.244 10.756 -16.353 289 HB3 ARG 36 3HB ARG 36 17.539 11.188 -16.355 290 HG2 ARG 36 2HG ARG 36 18.009 13.485 -16.225 291 HG3 ARG 36 3HG ARG 36 19.690 13.196 -15.771 292 HD2 ARG 36 2HD ARG 36 18.483 12.449 -18.431 293 HD3 ARG 36 3HD ARG 36 19.394 13.928 -18.129 294 HE ARG 36 HE ARG 36 20.857 11.599 -17.377 295 HH11 ARG 36 1HH1 ARG 36 19.915 13.561 -20.094 296 HH12 ARG 36 2HH1 ARG 36 21.282 13.111 -21.059 297 HH21 ARG 36 1HH2 ARG 36 22.661 10.999 -18.638 298 HH22 ARG 36 2HH2 ARG 36 22.843 11.653 -20.230 299 H ALA 37 H ALA 37 15.925 11.298 -14.433 300 HA ALA 37 HA ALA 37 15.512 14.014 -13.730 301 HB1 ALA 37 1HB ALA 37 13.757 13.095 -14.928 302 HB2 ALA 37 2HB ALA 37 13.733 11.620 -13.960 303 HB3 ALA 37 3HB ALA 37 13.119 13.128 -13.284 304 H LEU 38 H LEU 38 15.775 11.055 -11.886 305 HA LEU 38 HA LEU 38 14.638 11.926 -9.474 306 HB2 LEU 38 2HB LEU 38 14.971 9.720 -9.275 307 HB3 LEU 38 3HB LEU 38 16.351 9.733 -10.371 308 HG LEU 38 HG LEU 38 17.701 10.645 -8.418 309 HD11 LEU 38 1HD1 LEU 38 16.546 11.240 -6.615 310 HD12 LEU 38 2HD1 LEU 38 16.312 9.520 -6.303 311 HD13 LEU 38 3HD1 LEU 38 15.089 10.429 -7.191 312 HD21 LEU 38 1HD2 LEU 38 18.278 8.492 -8.873 313 HD22 LEU 38 2HD2 LEU 38 16.622 7.900 -8.740 314 HD23 LEU 38 3HD2 LEU 38 17.553 8.251 -7.283 315 H LYS 39 H LYS 39 17.725 12.549 -10.932 316 HA LYS 39 HA LYS 39 19.250 13.276 -8.727 317 HB2 LYS 39 2HB LYS 39 20.719 14.280 -10.221 318 HB3 LYS 39 3HB LYS 39 19.881 13.117 -11.241 319 HG2 LYS 39 2HG LYS 39 19.571 14.835 -12.625 320 HG3 LYS 39 3HG LYS 39 18.309 15.336 -11.497 321 HD2 LYS 39 2HD LYS 39 20.921 16.206 -10.612 322 HD3 LYS 39 3HD LYS 39 20.568 16.788 -12.240 323 HE2 LYS 39 2HE LYS 39 18.208 17.268 -10.999 324 HE3 LYS 39 3HE LYS 39 19.336 17.492 -9.662 325 HZ1 LYS 39 1HZ LYS 39 20.479 19.166 -10.852 326 HZ2 LYS 39 2HZ LYS 39 18.833 19.531 -10.988 327 HZ3 LYS 39 3HZ LYS 39 19.654 18.827 -12.289 328 H LYS 40 H LYS 40 16.571 14.882 -10.196 329 HA LYS 40 HA LYS 40 17.028 17.525 -9.411 330 HB2 LYS 40 2HB LYS 40 15.226 16.771 -10.956 331 HB3 LYS 40 3HB LYS 40 14.361 16.109 -9.575 332 HG2 LYS 40 2HG LYS 40 14.384 18.442 -8.605 333 HG3 LYS 40 3HG LYS 40 14.947 18.991 -10.186 334 HD2 LYS 40 2HD LYS 40 12.951 18.472 -11.223 335 HD3 LYS 40 3HD LYS 40 12.514 17.267 -10.010 336 HE2 LYS 40 2HE LYS 40 12.660 20.213 -9.414 337 HE3 LYS 40 3HE LYS 40 11.189 19.423 -9.979 338 HZ1 LYS 40 1HZ LYS 40 12.679 18.622 -7.540 339 HZ2 LYS 40 2HZ LYS 40 11.177 18.035 -8.050 340 HZ3 LYS 40 3HZ LYS 40 11.327 19.640 -7.537 341 H MET 41 H MET 41 16.247 14.748 -7.552 342 HA MET 41 HA MET 41 15.424 16.376 -5.258 343 HB2 MET 41 2HB MET 41 15.516 13.375 -5.278 344 HB3 MET 41 3HB MET 41 14.509 14.441 -4.307 345 HG2 MET 41 2HG MET 41 13.714 15.063 -6.841 346 HG3 MET 41 3HG MET 41 14.062 13.341 -6.972 347 HE1 MET 41 1HE MET 41 11.316 15.920 -5.088 348 HE2 MET 41 2HE MET 41 11.514 14.993 -3.600 349 HE3 MET 41 3HE MET 41 12.917 15.739 -4.368 350 H GLY 42 H GLY 42 18.077 14.569 -6.508 351 HA2 GLY 42 2HA GLY 42 20.231 14.346 -5.731 352 HA3 GLY 42 3HA GLY 42 19.817 15.470 -4.446 353 H ASP 43 H ASP 43 17.554 13.121 -4.271 354 HA ASP 43 HA ASP 43 19.145 11.573 -2.331 355 HB2 ASP 43 2HB ASP 43 16.508 12.830 -2.155 356 HB3 ASP 43 3HB ASP 43 16.503 11.141 -1.655 357 H THR 44 H THR 44 19.781 10.116 -4.013 358 HA THR 44 HA THR 44 17.700 8.542 -5.300 359 HB THR 44 HB THR 44 19.383 7.587 -6.649 360 HG1 THR 44 HG1 THR 44 21.694 8.217 -5.986 361 HG21 THR 44 1HG2 THR 44 19.924 9.442 -7.791 362 HG22 THR 44 2HG2 THR 44 20.834 10.115 -6.439 363 HG23 THR 44 3HG2 THR 44 19.083 10.313 -6.510 364 H SER 45 H SER 45 18.631 8.497 -2.313 365 HA SER 45 HA SER 45 19.588 5.846 -1.888 366 HB2 SER 45 2HB SER 45 19.742 6.451 0.296 367 HB3 SER 45 3HB SER 45 19.477 8.075 -0.338 368 HG SER 45 HG SER 45 17.694 8.109 0.750 369 H CYS 46 H CYS 46 16.401 7.381 -1.687 370 HA CYS 46 HA CYS 46 15.141 4.827 -1.086 371 HB2 CYS 46 2HB CYS 46 14.439 6.971 0.031 372 HB3 CYS 46 3HB CYS 46 13.815 7.506 -1.526 373 H PHE 47 H PHE 47 15.744 6.901 -3.774 374 HA PHE 47 HA PHE 47 13.650 5.913 -5.453 375 HB2 PHE 47 2HB PHE 47 15.027 8.128 -5.629 376 HB3 PHE 47 3HB PHE 47 16.172 7.133 -6.524 377 HD1 PHE 47 HD1 PHE 47 13.317 9.167 -6.762 378 HD2 PHE 47 HD2 PHE 47 15.146 5.725 -8.472 379 HE1 PHE 47 HE1 PHE 47 11.978 9.473 -8.804 380 HE2 PHE 47 HE2 PHE 47 13.811 6.026 -10.516 381 HZ PHE 47 HZ PHE 47 12.225 7.903 -10.685 382 H ASP 48 H ASP 48 16.956 5.002 -4.787 383 HA ASP 48 HA ASP 48 17.537 3.408 -6.978 384 HB2 ASP 48 2HB ASP 48 19.154 3.978 -5.193 385 HB3 ASP 48 3HB ASP 48 18.311 2.883 -4.101 386 H GLU 49 H GLU 49 15.575 2.704 -4.151 387 HA GLU 49 HA GLU 49 15.277 -0.082 -4.747 388 HB2 GLU 49 2HB GLU 49 13.502 1.604 -2.982 389 HB3 GLU 49 3HB GLU 49 13.720 -0.140 -2.926 390 HG2 GLU 49 2HG GLU 49 16.144 0.325 -2.356 391 HG3 GLU 49 3HG GLU 49 15.655 2.000 -2.107 392 H ILE 50 H ILE 50 13.272 2.808 -5.183 393 HA ILE 50 HA ILE 50 11.073 1.418 -6.337 394 HB ILE 50 HB ILE 50 10.066 3.475 -6.655 395 HG12 ILE 50 2HG1 ILE 50 11.782 5.571 -6.584 396 HG13 ILE 50 3HG1 ILE 50 12.807 4.355 -7.339 397 HG21 ILE 50 1HG2 ILE 50 11.914 4.586 -4.644 398 HG22 ILE 50 2HG2 ILE 50 10.163 4.395 -4.596 399 HG23 ILE 50 3HG2 ILE 50 11.209 3.015 -4.266 400 HD11 ILE 50 1HD1 ILE 50 10.395 4.151 -8.685 401 HD12 ILE 50 2HD1 ILE 50 10.632 5.883 -8.451 402 HD13 ILE 50 3HD1 ILE 50 11.871 4.925 -9.261 403 H LEU 51 H LEU 51 14.053 2.685 -7.571 404 HA LEU 51 HA LEU 51 13.432 3.050 -10.259 405 HB2 LEU 51 2HB LEU 51 15.652 3.287 -10.572 406 HB3 LEU 51 3HB LEU 51 15.655 3.341 -8.810 407 HG LEU 51 HG LEU 51 16.087 0.796 -8.964 408 HD11 LEU 51 1HD1 LEU 51 17.618 0.664 -11.199 409 HD12 LEU 51 2HD1 LEU 51 16.261 1.634 -11.769 410 HD13 LEU 51 3HD1 LEU 51 15.973 0.040 -11.072 411 HD21 LEU 51 1HD2 LEU 51 17.768 3.078 -8.911 412 HD22 LEU 51 2HD2 LEU 51 18.560 1.845 -9.893 413 HD23 LEU 51 3HD2 LEU 51 18.069 1.475 -8.239 414 H LYS 52 H LYS 52 14.202 0.111 -8.479 415 HA LYS 52 HA LYS 52 14.372 -1.576 -10.766 416 HB2 LYS 52 2HB LYS 52 14.572 -3.365 -9.258 417 HB3 LYS 52 3HB LYS 52 15.305 -2.005 -8.418 418 HG2 LYS 52 2HG LYS 52 12.763 -1.797 -7.545 419 HG3 LYS 52 3HG LYS 52 12.882 -3.542 -7.782 420 HD2 LYS 52 2HD LYS 52 15.006 -2.026 -6.302 421 HD3 LYS 52 3HD LYS 52 13.536 -2.566 -5.489 422 HE2 LYS 52 2HE LYS 52 14.580 -4.508 -5.160 423 HE3 LYS 52 3HE LYS 52 14.377 -4.799 -6.887 424 HZ1 LYS 52 1HZ LYS 52 16.601 -3.199 -6.673 425 HZ2 LYS 52 2HZ LYS 52 16.577 -4.856 -7.011 426 HZ3 LYS 52 3HZ LYS 52 16.762 -4.320 -5.417 427 H GLY 53 H GLY 53 11.771 -0.565 -8.636 428 HA2 GLY 53 2HA GLY 53 9.878 -2.474 -9.658 429 HA3 GLY 53 3HA GLY 53 9.524 -1.112 -8.606 430 H LEU 54 H LEU 54 11.046 0.559 -10.724 431 HA LEU 54 HA LEU 54 8.674 1.314 -12.172 432 HB2 LEU 54 2HB LEU 54 10.948 2.623 -11.316 433 HB3 LEU 54 3HB LEU 54 11.166 2.526 -13.062 434 HG LEU 54 HG LEU 54 8.732 3.697 -11.720 435 HD11 LEU 54 1HD1 LEU 54 10.002 5.461 -11.254 436 HD12 LEU 54 2HD1 LEU 54 10.132 5.722 -12.993 437 HD13 LEU 54 3HD1 LEU 54 11.373 4.800 -12.145 438 HD21 LEU 54 1HD2 LEU 54 9.574 3.229 -14.517 439 HD22 LEU 54 2HD2 LEU 54 8.802 4.776 -14.165 440 HD23 LEU 54 3HD2 LEU 54 7.960 3.268 -13.806 441 H LYS 55 H LYS 55 9.570 -1.315 -12.770 442 HA LYS 55 HA LYS 55 10.729 -1.113 -15.447 443 HB2 LYS 55 2HB LYS 55 11.058 -3.482 -15.341 444 HB3 LYS 55 3HB LYS 55 11.584 -2.803 -13.806 445 HG2 LYS 55 2HG LYS 55 8.973 -3.393 -13.289 446 HG3 LYS 55 3HG LYS 55 9.434 -4.692 -14.391 447 HD2 LYS 55 2HD LYS 55 11.584 -4.655 -12.759 448 HD3 LYS 55 3HD LYS 55 10.327 -4.131 -11.637 449 HE2 LYS 55 2HE LYS 55 9.473 -6.185 -11.510 450 HE3 LYS 55 3HE LYS 55 9.440 -6.352 -13.264 451 HZ1 LYS 55 1HZ LYS 55 12.073 -6.539 -12.097 452 HZ2 LYS 55 2HZ LYS 55 11.334 -7.515 -13.265 453 HZ3 LYS 55 3HZ LYS 55 11.020 -7.775 -11.623 454 H GLU 56 H GLU 56 7.974 -0.238 -14.783 455 HA GLU 56 HA GLU 56 6.463 -2.102 -16.489 456 HB2 GLU 56 2HB GLU 56 5.415 -0.083 -14.497 457 HB3 GLU 56 3HB GLU 56 4.430 -1.161 -15.477 458 HG2 GLU 56 2HG GLU 56 6.458 -2.547 -13.907 459 HG3 GLU 56 3HG GLU 56 5.293 -1.653 -12.931 460 H ILE 57 H ILE 57 7.947 -0.674 -18.035 461 HA ILE 57 HA ILE 57 6.855 1.910 -18.676 462 HB ILE 57 HB ILE 57 9.243 1.411 -19.024 463 HG12 ILE 57 2HG1 ILE 57 9.349 2.267 -21.419 464 HG13 ILE 57 3HG1 ILE 57 7.594 2.139 -21.446 465 HG21 ILE 57 1HG2 ILE 57 10.014 -0.315 -20.226 466 HG22 ILE 57 2HG2 ILE 57 8.382 -0.961 -20.063 467 HG23 ILE 57 3HG2 ILE 57 8.835 -0.067 -21.514 468 HD11 ILE 57 1HD1 ILE 57 8.767 4.396 -20.865 469 HD12 ILE 57 2HD1 ILE 57 7.312 3.892 -20.004 470 HD13 ILE 57 3HD1 ILE 57 8.896 3.679 -19.259 471 H LYS 58 H LYS 58 5.331 2.397 -20.131 472 HA LYS 58 HA LYS 58 4.439 0.287 -21.980 473 HB2 LYS 58 2HB LYS 58 2.766 2.096 -20.245 474 HB3 LYS 58 3HB LYS 58 2.108 1.295 -21.666 475 HG2 LYS 58 2HG LYS 58 1.649 -0.440 -20.370 476 HG3 LYS 58 3HG LYS 58 3.386 -0.724 -20.239 477 HD2 LYS 58 2HD LYS 58 2.995 -0.498 -18.029 478 HD3 LYS 58 3HD LYS 58 3.065 1.227 -18.395 479 HE2 LYS 58 2HE LYS 58 0.440 0.440 -18.960 480 HE3 LYS 58 3HE LYS 58 0.856 -0.361 -17.445 481 HZ1 LYS 58 1HZ LYS 58 -0.122 1.889 -17.183 482 HZ2 LYS 58 2HZ LYS 58 1.245 2.539 -17.937 483 HZ3 LYS 58 3HZ LYS 58 1.400 1.721 -16.464 484 H CYS 59 H CYS 59 6.263 2.083 -22.828 485 HA CYS 59 HA CYS 59 5.562 4.535 -23.781 486 HB2 CYS 59 2HB CYS 59 7.791 3.528 -24.074 487 HB3 CYS 59 3HB CYS 59 7.137 2.441 -25.295 488 H GLY 60 H GLY 60 4.761 1.402 -25.224 489 HA2 GLY 60 2HA GLY 60 2.570 2.689 -26.668 490 HA3 GLY 60 3HA GLY 60 3.770 1.841 -27.633 491 H GLY 61 H GLY 61 1.535 0.792 -28.139 492 HA2 GLY 61 2HA GLY 61 0.355 -0.984 -26.307 493 HA3 GLY 61 3HA GLY 61 0.233 -1.095 -28.056 494 H SER 62 H SER 62 2.397 -1.884 -29.089 495 HA SER 62 HA SER 62 3.111 -4.345 -27.664 496 HB2 SER 62 2HB SER 62 2.392 -3.843 -30.331 497 HB3 SER 62 3HB SER 62 4.119 -4.201 -30.373 498 HG SER 62 HG SER 62 1.975 -5.822 -29.604 499 H TRP 63 H TRP 63 5.031 -4.528 -26.736 500 HA TRP 63 HA TRP 63 7.056 -2.503 -27.201 501 HB2 TRP 63 2HB TRP 63 6.373 -4.346 -25.062 502 HB3 TRP 63 3HB TRP 63 8.098 -4.378 -25.418 503 HD1 TRP 63 HD1 TRP 63 6.171 -2.899 -22.951 504 HE1 TRP 63 HE1 TRP 63 6.964 -0.551 -22.256 505 HE3 TRP 63 HE3 TRP 63 9.082 -1.792 -27.005 506 HZ2 TRP 63 HZ2 TRP 63 8.605 1.500 -23.290 507 HZ3 TRP 63 HZ3 TRP 63 10.229 0.384 -27.075 508 HH2 TRP 63 HH2 TRP 63 9.994 1.994 -25.255 509 H LEU 64 H LEU 64 9.419 -3.682 -26.874 510 HA LEU 64 HA LEU 64 9.900 -6.081 -28.230 511 HB2 LEU 64 2HB LEU 64 9.430 -3.778 -29.924 512 HB3 LEU 64 3HB LEU 64 11.035 -4.460 -30.179 513 HG LEU 64 HG LEU 64 8.834 -6.414 -30.159 514 HD11 LEU 64 1HD1 LEU 64 9.071 -4.330 -32.321 515 HD12 LEU 64 2HD1 LEU 64 7.671 -4.656 -31.301 516 HD13 LEU 64 3HD1 LEU 64 8.193 -5.850 -32.489 517 HD21 LEU 64 1HD2 LEU 64 10.681 -6.179 -32.430 518 HD22 LEU 64 2HD2 LEU 64 10.251 -7.584 -31.453 519 HD23 LEU 64 3HD2 LEU 64 11.452 -6.433 -30.865 520 H GLU 65 H GLU 65 11.372 -6.273 -26.534 521 HA GLU 65 HA GLU 65 13.479 -4.343 -26.177 522 HB2 GLU 65 2HB GLU 65 14.352 -6.019 -24.530 523 HB3 GLU 65 3HB GLU 65 12.709 -5.479 -24.218 524 HG2 GLU 65 2HG GLU 65 11.870 -7.528 -24.447 525 HG3 GLU 65 3HG GLU 65 12.827 -7.856 -25.891 526 H HIS 66 H HIS 66 15.426 -4.331 -27.100 527 HA HIS 66 HA HIS 66 16.080 -5.877 -29.304 528 HB2 HIS 66 2HB HIS 66 17.197 -3.781 -28.918 529 HB3 HIS 66 3HB HIS 66 17.874 -4.363 -27.399 530 HD1 HIS 66 HD1 HIS 66 17.945 -5.997 -30.833 531 HD2 HIS 66 HD2 HIS 66 20.526 -4.549 -27.917 532 HE1 HIS 66 HE1 HIS 66 20.258 -6.567 -31.639 Start of MODEL 7 1 H1 ALA 1 H ALA 1 3.044 -1.904 -2.614 2 HA ALA 1 HA ALA 1 1.837 0.647 -1.767 3 HB1 ALA 1 1HB ALA 1 2.165 -1.895 -0.228 4 HB2 ALA 1 2HB ALA 1 2.154 -0.342 0.609 5 HB3 ALA 1 3HB ALA 1 0.761 -0.835 -0.354 6 H SER 2 H SER 2 4.239 0.527 -3.142 7 HA SER 2 HA SER 2 6.532 0.336 -1.529 8 HB2 SER 2 2HB SER 2 6.853 2.329 -3.595 9 HB3 SER 2 3HB SER 2 7.564 0.719 -3.482 10 HG SER 2 HG SER 2 5.656 -0.113 -4.407 11 HA PRO 3 HA PRO 3 6.439 3.978 0.927 12 HB2 PRO 3 2HB PRO 3 9.101 4.394 1.261 13 HB3 PRO 3 3HB PRO 3 8.224 3.088 2.067 14 HG2 PRO 3 2HG PRO 3 9.919 2.992 -0.399 15 HG3 PRO 3 3HG PRO 3 9.859 1.857 0.963 16 HD2 PRO 3 2HD PRO 3 8.603 1.379 -1.388 17 HD3 PRO 3 3HD PRO 3 7.967 0.807 0.168 18 H CYS 4 H CYS 4 8.172 3.922 -2.095 19 HA CYS 4 HA CYS 4 7.781 6.825 -2.327 20 HB2 CYS 4 2HB CYS 4 10.295 5.258 -2.764 21 HB3 CYS 4 3HB CYS 4 9.990 6.687 -3.746 22 H ASP 5 H ASP 5 6.090 4.789 -3.301 23 HA ASP 5 HA ASP 5 6.606 4.148 -6.010 24 HB2 ASP 5 2HB ASP 5 4.399 3.304 -6.086 25 HB3 ASP 5 3HB ASP 5 4.938 3.032 -4.431 26 H LYS 6 H LYS 6 5.225 6.923 -4.428 27 HA LYS 6 HA LYS 6 3.855 8.072 -6.588 28 HB2 LYS 6 2HB LYS 6 4.164 10.221 -5.357 29 HB3 LYS 6 3HB LYS 6 3.519 8.920 -4.364 30 HG2 LYS 6 2HG LYS 6 6.131 8.599 -3.865 31 HG3 LYS 6 3HG LYS 6 6.104 10.331 -4.201 32 HD2 LYS 6 2HD LYS 6 4.010 9.250 -2.396 33 HD3 LYS 6 3HD LYS 6 5.658 9.344 -1.770 34 HE2 LYS 6 2HE LYS 6 4.582 11.379 -1.190 35 HE3 LYS 6 3HE LYS 6 5.691 11.745 -2.511 36 HZ1 LYS 6 1HZ LYS 6 3.923 11.874 -4.032 37 HZ2 LYS 6 2HZ LYS 6 3.401 12.738 -2.675 38 HZ3 LYS 6 3HZ LYS 6 2.819 11.175 -2.957 39 H GLN 7 H GLN 7 7.247 8.013 -5.756 40 HA GLN 7 HA GLN 7 8.091 10.104 -7.466 41 HB2 GLN 7 2HB GLN 7 9.415 7.868 -6.015 42 HB3 GLN 7 3HB GLN 7 10.309 8.633 -7.322 43 HG2 GLN 7 2HG GLN 7 10.901 9.667 -5.243 44 HG3 GLN 7 3HG GLN 7 9.992 10.815 -6.225 45 HE21 GLN 7 1HE2 GLN 7 8.872 8.130 -4.216 46 HE22 GLN 7 2HE2 GLN 7 7.896 9.092 -3.164 47 H LYS 8 H LYS 8 7.420 6.717 -7.965 48 HA LYS 8 HA LYS 8 8.725 6.455 -10.473 49 HB2 LYS 8 2HB LYS 8 8.305 4.395 -9.534 50 HB3 LYS 8 3HB LYS 8 6.724 4.874 -8.929 51 HG2 LYS 8 2HG LYS 8 5.752 4.662 -11.101 52 HG3 LYS 8 3HG LYS 8 7.336 4.406 -11.838 53 HD2 LYS 8 2HD LYS 8 6.957 2.220 -11.597 54 HD3 LYS 8 3HD LYS 8 7.194 2.466 -9.865 55 HE2 LYS 8 2HE LYS 8 4.595 3.230 -10.192 56 HE3 LYS 8 3HE LYS 8 4.742 1.938 -11.383 57 HZ1 LYS 8 1HZ LYS 8 4.567 0.480 -9.748 58 HZ2 LYS 8 2HZ LYS 8 4.472 1.719 -8.601 59 HZ3 LYS 8 3HZ LYS 8 5.978 1.080 -9.033 60 H ASN 9 H ASN 9 5.423 7.283 -9.519 61 HA ASN 9 HA ASN 9 4.405 7.375 -12.179 62 HB2 ASN 9 2HB ASN 9 3.334 7.520 -9.586 63 HB3 ASN 9 3HB ASN 9 2.933 9.057 -10.347 64 HD21 ASN 9 1HD2 ASN 9 2.540 8.378 -12.931 65 HD22 ASN 9 2HD2 ASN 9 1.200 7.296 -13.070 66 H TYR 10 H TYR 10 5.866 9.709 -10.009 67 HA TYR 10 HA TYR 10 5.199 12.022 -11.517 68 HB2 TYR 10 2HB TYR 10 5.771 12.544 -9.336 69 HB3 TYR 10 3HB TYR 10 7.114 11.407 -9.303 70 HD1 TYR 10 HD1 TYR 10 9.299 12.160 -9.639 71 HD2 TYR 10 HD2 TYR 10 6.044 14.649 -10.786 72 HE1 TYR 10 HE1 TYR 10 10.871 13.997 -10.092 73 HE2 TYR 10 HE2 TYR 10 7.607 16.492 -11.243 74 HH TYR 10 HH TYR 10 10.865 16.098 -11.589 75 H ILE 11 H ILE 11 7.981 9.851 -11.467 76 HA ILE 11 HA ILE 11 9.453 11.402 -13.397 77 HB ILE 11 HB ILE 11 9.940 8.614 -12.344 78 HG12 ILE 11 2HG1 ILE 11 10.078 10.493 -10.686 79 HG13 ILE 11 3HG1 ILE 11 11.588 9.616 -10.909 80 HG21 ILE 11 1HG2 ILE 11 11.265 8.457 -14.150 81 HG22 ILE 11 2HG2 ILE 11 11.250 10.196 -14.436 82 HG23 ILE 11 3HG2 ILE 11 12.344 9.510 -13.235 83 HD11 ILE 11 1HD1 ILE 11 11.488 12.251 -10.843 84 HD12 ILE 11 2HD1 ILE 11 12.631 11.387 -11.873 85 HD13 ILE 11 3HD1 ILE 11 11.142 12.036 -12.559 86 H ASP 12 H ASP 12 7.595 8.388 -13.406 87 HA ASP 12 HA ASP 12 8.109 7.676 -16.082 88 HB2 ASP 12 2HB ASP 12 7.143 6.176 -14.307 89 HB3 ASP 12 3HB ASP 12 5.615 7.030 -14.503 90 H LYS 13 H LYS 13 5.757 9.813 -14.611 91 HA LYS 13 HA LYS 13 4.270 10.166 -17.064 92 HB2 LYS 13 2HB LYS 13 2.801 11.509 -15.828 93 HB3 LYS 13 3HB LYS 13 3.334 10.294 -14.674 94 HG2 LYS 13 2HG LYS 13 4.964 11.897 -13.769 95 HG3 LYS 13 3HG LYS 13 4.361 13.116 -14.894 96 HD2 LYS 13 2HD LYS 13 2.447 11.722 -13.074 97 HD3 LYS 13 3HD LYS 13 3.462 13.018 -12.437 98 HE2 LYS 13 2HE LYS 13 2.370 13.879 -14.916 99 HE3 LYS 13 3HE LYS 13 1.059 13.218 -13.940 100 HZ1 LYS 13 1HZ LYS 13 1.056 15.270 -13.064 101 HZ2 LYS 13 2HZ LYS 13 2.646 15.607 -13.530 102 HZ3 LYS 13 3HZ LYS 13 2.349 14.698 -12.135 103 H GLN 14 H GLN 14 6.894 11.706 -15.395 104 HA GLN 14 HA GLN 14 6.742 14.090 -17.061 105 HB2 GLN 14 2HB GLN 14 8.482 13.273 -14.746 106 HB3 GLN 14 3HB GLN 14 8.865 14.679 -15.729 107 HG2 GLN 14 2HG GLN 14 6.207 14.320 -14.381 108 HG3 GLN 14 3HG GLN 14 7.581 15.100 -13.599 109 HE21 GLN 14 1HE2 GLN 14 5.101 15.378 -15.974 110 HE22 GLN 14 2HE2 GLN 14 5.369 17.037 -16.374 111 H LEU 15 H LEU 15 8.061 11.023 -17.248 112 HA LEU 15 HA LEU 15 10.282 11.897 -18.961 113 HB2 LEU 15 2HB LEU 15 10.694 10.303 -17.059 114 HB3 LEU 15 3HB LEU 15 9.729 9.119 -17.939 115 HG LEU 15 HG LEU 15 11.696 10.008 -19.737 116 HD11 LEU 15 1HD1 LEU 15 13.658 10.208 -18.671 117 HD12 LEU 15 2HD1 LEU 15 13.251 8.979 -17.474 118 HD13 LEU 15 3HD1 LEU 15 12.662 10.629 -17.278 119 HD21 LEU 15 1HD2 LEU 15 12.556 7.651 -19.345 120 HD22 LEU 15 2HD2 LEU 15 10.869 7.806 -19.834 121 HD23 LEU 15 3HD2 LEU 15 11.273 7.493 -18.145 122 H LEU 16 H LEU 16 7.121 10.835 -19.138 123 HA LEU 16 HA LEU 16 7.292 9.183 -21.462 124 HB2 LEU 16 2HB LEU 16 5.282 10.034 -19.638 125 HB3 LEU 16 3HB LEU 16 4.733 10.394 -21.273 126 HG LEU 16 HG LEU 16 5.049 8.036 -21.885 127 HD11 LEU 16 1HD1 LEU 16 6.169 6.583 -20.632 128 HD12 LEU 16 2HD1 LEU 16 5.235 6.997 -19.195 129 HD13 LEU 16 3HD1 LEU 16 6.657 7.947 -19.625 130 HD21 LEU 16 1HD2 LEU 16 2.855 8.457 -21.298 131 HD22 LEU 16 2HD2 LEU 16 3.259 8.798 -19.615 132 HD23 LEU 16 3HD2 LEU 16 3.280 7.136 -20.209 133 HA PRO 17 HA PRO 17 6.066 13.464 -23.467 134 HB2 PRO 17 2HB PRO 17 7.278 15.583 -22.280 135 HB3 PRO 17 3HB PRO 17 5.665 15.020 -21.826 136 HG2 PRO 17 2HG PRO 17 8.298 14.494 -20.501 137 HG3 PRO 17 3HG PRO 17 6.734 14.893 -19.765 138 HD2 PRO 17 2HD PRO 17 7.693 12.362 -19.870 139 HD3 PRO 17 3HD PRO 17 5.957 12.730 -19.943 140 H ILE 18 H ILE 18 9.236 13.144 -21.898 141 HA ILE 18 HA ILE 18 10.632 14.241 -24.171 142 HB ILE 18 HB ILE 18 12.686 13.594 -22.926 143 HG12 ILE 18 2HG1 ILE 18 10.792 12.764 -20.723 144 HG13 ILE 18 3HG1 ILE 18 11.600 11.618 -21.788 145 HG21 ILE 18 1HG2 ILE 18 11.151 15.713 -22.555 146 HG22 ILE 18 2HG2 ILE 18 10.981 15.008 -20.948 147 HG23 ILE 18 3HG2 ILE 18 12.581 15.422 -21.565 148 HD11 ILE 18 1HD1 ILE 18 13.521 11.772 -20.672 149 HD12 ILE 18 2HD1 ILE 18 13.408 13.527 -20.527 150 HD13 ILE 18 3HD1 ILE 18 12.547 12.490 -19.390 151 H VAL 19 H VAL 19 9.658 11.113 -23.059 152 HA VAL 19 HA VAL 19 11.518 9.665 -24.730 153 HB VAL 19 HB VAL 19 10.447 8.878 -22.493 154 HG11 VAL 19 1HG1 VAL 19 8.121 9.240 -23.253 155 HG12 VAL 19 2HG1 VAL 19 8.337 7.949 -24.437 156 HG13 VAL 19 3HG1 VAL 19 8.421 7.588 -22.712 157 HG21 VAL 19 1HG2 VAL 19 11.163 7.377 -24.926 158 HG22 VAL 19 2HG2 VAL 19 11.822 7.274 -23.294 159 HG23 VAL 19 3HG2 VAL 19 10.304 6.465 -23.685 160 H ASN 20 H ASN 20 8.059 10.431 -24.753 161 HA ASN 20 HA ASN 20 7.625 9.059 -27.253 162 HB2 ASN 20 2HB ASN 20 5.936 9.426 -25.309 163 HB3 ASN 20 3HB ASN 20 5.692 11.011 -26.038 164 HD21 ASN 20 1HD2 ASN 20 3.698 9.066 -25.789 165 HD22 ASN 20 2HD2 ASN 20 3.228 8.562 -27.373 166 H LYS 21 H LYS 21 8.930 12.005 -26.400 167 HA LYS 21 HA LYS 21 7.872 13.733 -28.361 168 HB2 LYS 21 2HB LYS 21 9.971 13.792 -26.389 169 HB3 LYS 21 3HB LYS 21 10.550 14.480 -27.901 170 HG2 LYS 21 2HG LYS 21 8.945 16.174 -27.883 171 HG3 LYS 21 3HG LYS 21 7.943 15.335 -26.697 172 HD2 LYS 21 2HD LYS 21 9.043 16.263 -24.990 173 HD3 LYS 21 3HD LYS 21 10.611 15.846 -25.685 174 HE2 LYS 21 2HE LYS 21 10.502 17.815 -27.124 175 HE3 LYS 21 3HE LYS 21 8.920 18.222 -26.461 176 HZ1 LYS 21 1HZ LYS 21 11.384 18.019 -24.822 177 HZ2 LYS 21 2HZ LYS 21 9.880 18.623 -24.340 178 HZ3 LYS 21 3HZ LYS 21 10.808 19.471 -25.472 179 H ALA 22 H ALA 22 10.761 11.666 -28.350 180 HA ALA 22 HA ALA 22 11.340 12.316 -31.116 181 HB1 ALA 22 1HB ALA 22 12.885 10.112 -30.137 182 HB2 ALA 22 2HB ALA 22 13.411 11.741 -30.564 183 HB3 ALA 22 3HB ALA 22 12.846 11.398 -28.930 184 H GLY 23 H GLY 23 10.056 9.618 -29.246 185 HA2 GLY 23 2HA GLY 23 8.417 8.558 -31.152 186 HA3 GLY 23 3HA GLY 23 9.977 7.823 -31.492 187 H CYS 24 H CYS 24 10.972 6.522 -29.840 188 HA CYS 24 HA CYS 24 10.004 5.862 -27.372 189 HB2 CYS 24 2HB CYS 24 8.218 4.936 -29.425 190 HB3 CYS 24 3HB CYS 24 8.924 3.553 -28.595 191 H SER 25 H SER 25 12.138 5.444 -26.967 192 HA SER 25 HA SER 25 13.651 3.585 -28.554 193 HB2 SER 25 2HB SER 25 14.313 5.644 -26.846 194 HB3 SER 25 3HB SER 25 14.726 4.214 -25.901 195 HG SER 25 HG SER 25 16.505 4.496 -27.074 196 H ARG 26 H ARG 26 15.087 2.168 -26.666 197 HA ARG 26 HA ARG 26 13.270 0.022 -26.111 198 HB2 ARG 26 2HB ARG 26 15.309 -1.083 -25.153 199 HB3 ARG 26 3HB ARG 26 15.477 -0.560 -26.823 200 HG2 ARG 26 2HG ARG 26 16.330 1.533 -25.062 201 HG3 ARG 26 3HG ARG 26 17.156 0.025 -24.661 202 HD2 ARG 26 2HD ARG 26 17.038 1.368 -27.358 203 HD3 ARG 26 3HD ARG 26 18.444 1.237 -26.302 204 HE ARG 26 HE ARG 26 17.687 -1.346 -26.759 205 HH11 ARG 26 1HH1 ARG 26 18.530 1.368 -28.770 206 HH12 ARG 26 2HH1 ARG 26 19.176 0.389 -30.045 207 HH21 ARG 26 1HH2 ARG 26 18.535 -2.645 -28.431 208 HH22 ARG 26 2HH2 ARG 26 19.178 -1.893 -29.852 209 HA PRO 27 HA PRO 27 12.178 0.935 -21.956 210 HB2 PRO 27 2HB PRO 27 11.862 -1.573 -20.965 211 HB3 PRO 27 3HB PRO 27 10.717 -0.833 -22.090 212 HG2 PRO 27 2HG PRO 27 12.921 -2.783 -22.639 213 HG3 PRO 27 3HG PRO 27 11.267 -2.756 -23.276 214 HD2 PRO 27 2HD PRO 27 13.391 -1.860 -24.697 215 HD3 PRO 27 3HD PRO 27 11.768 -1.157 -24.859 216 H GLU 28 H GLU 28 14.849 -1.262 -22.565 217 HA GLU 28 HA GLU 28 15.827 -1.479 -19.940 218 HB2 GLU 28 2HB GLU 28 16.597 -2.972 -21.682 219 HB3 GLU 28 3HB GLU 28 17.273 -1.627 -22.589 220 HG2 GLU 28 2HG GLU 28 18.243 -2.066 -19.821 221 HG3 GLU 28 3HG GLU 28 18.767 -3.186 -21.077 222 H GLU 29 H GLU 29 16.488 0.867 -22.504 223 HA GLU 29 HA GLU 29 18.437 2.297 -20.956 224 HB2 GLU 29 2HB GLU 29 16.975 3.089 -23.481 225 HB3 GLU 29 3HB GLU 29 18.344 3.948 -22.789 226 HG2 GLU 29 2HG GLU 29 18.499 1.067 -23.615 227 HG3 GLU 29 3HG GLU 29 18.828 2.397 -24.725 228 H VAL 30 H VAL 30 14.998 2.504 -21.502 229 HA VAL 30 HA VAL 30 14.533 5.124 -20.627 230 HB VAL 30 HB VAL 30 12.750 2.696 -20.414 231 HG11 VAL 30 1HG1 VAL 30 12.342 5.538 -19.673 232 HG12 VAL 30 2HG1 VAL 30 11.010 4.704 -20.475 233 HG13 VAL 30 3HG1 VAL 30 11.665 4.073 -18.963 234 HG21 VAL 30 1HG2 VAL 30 13.609 4.225 -22.630 235 HG22 VAL 30 2HG2 VAL 30 12.400 2.941 -22.594 236 HG23 VAL 30 3HG2 VAL 30 11.914 4.618 -22.347 237 H GLU 31 H GLU 31 14.894 2.105 -18.847 238 HA GLU 31 HA GLU 31 14.021 2.964 -16.338 239 HB2 GLU 31 2HB GLU 31 14.391 0.633 -16.705 240 HB3 GLU 31 3HB GLU 31 16.074 0.903 -17.133 241 HG2 GLU 31 2HG GLU 31 15.147 1.701 -14.424 242 HG3 GLU 31 3HG GLU 31 15.392 -0.009 -14.771 243 H GLU 32 H GLU 32 17.154 3.279 -17.919 244 HA GLU 32 HA GLU 32 18.539 4.286 -15.653 245 HB2 GLU 32 2HB GLU 32 19.137 3.676 -18.385 246 HB3 GLU 32 3HB GLU 32 19.731 5.291 -18.024 247 HG2 GLU 32 2HG GLU 32 20.326 2.961 -16.238 248 HG3 GLU 32 3HG GLU 32 21.311 3.326 -17.653 249 H ARG 33 H ARG 33 16.696 5.773 -18.249 250 HA ARG 33 HA ARG 33 17.455 8.440 -17.834 251 HB2 ARG 33 2HB ARG 33 15.798 7.130 -19.584 252 HB3 ARG 33 3HB ARG 33 14.652 8.044 -18.611 253 HG2 ARG 33 2HG ARG 33 15.576 10.097 -19.243 254 HG3 ARG 33 3HG ARG 33 17.057 9.344 -19.840 255 HD2 ARG 33 2HD ARG 33 15.583 8.180 -21.556 256 HD3 ARG 33 3HD ARG 33 14.314 9.303 -21.068 257 HE ARG 33 HE ARG 33 16.622 10.768 -21.681 258 HH11 ARG 33 1HH1 ARG 33 14.208 8.815 -23.255 259 HH12 ARG 33 2HH1 ARG 33 14.340 9.643 -24.771 260 HH21 ARG 33 1HH2 ARG 33 16.805 11.866 -23.672 261 HH22 ARG 33 2HH2 ARG 33 15.818 11.377 -25.008 262 H ILE 34 H ILE 34 15.118 6.402 -16.209 263 HA ILE 34 HA ILE 34 13.657 8.372 -14.856 264 HB ILE 34 HB ILE 34 14.319 5.599 -13.857 265 HG12 ILE 34 2HG1 ILE 34 12.047 6.581 -15.597 266 HG13 ILE 34 3HG1 ILE 34 13.342 5.495 -16.086 267 HG21 ILE 34 1HG2 ILE 34 13.060 7.663 -12.539 268 HG22 ILE 34 2HG2 ILE 34 11.720 6.721 -13.191 269 HG23 ILE 34 3HG2 ILE 34 12.919 5.948 -12.154 270 HD11 ILE 34 1HD1 ILE 34 10.830 4.876 -14.908 271 HD12 ILE 34 2HD1 ILE 34 12.084 3.782 -15.494 272 HD13 ILE 34 3HD1 ILE 34 12.117 4.349 -13.824 273 H ARG 35 H ARG 35 16.672 6.728 -14.015 274 HA ARG 35 HA ARG 35 16.930 7.756 -11.408 275 HB2 ARG 35 2HB ARG 35 18.689 6.423 -13.369 276 HB3 ARG 35 3HB ARG 35 19.512 7.418 -12.176 277 HG2 ARG 35 2HG ARG 35 17.457 5.579 -11.134 278 HG3 ARG 35 3HG ARG 35 18.913 4.836 -11.799 279 HD2 ARG 35 2HD ARG 35 19.571 7.095 -10.130 280 HD3 ARG 35 3HD ARG 35 18.579 5.931 -9.252 281 HE ARG 35 HE ARG 35 20.463 4.384 -10.428 282 HH11 ARG 35 1HH1 ARG 35 20.601 7.229 -8.427 283 HH12 ARG 35 2HH1 ARG 35 22.125 6.814 -7.715 284 HH21 ARG 35 1HH2 ARG 35 22.470 3.826 -9.498 285 HH22 ARG 35 2HH2 ARG 35 23.188 4.879 -8.326 286 H ARG 36 H ARG 36 17.829 9.036 -14.554 287 HA ARG 36 HA ARG 36 19.470 11.144 -13.696 288 HB2 ARG 36 2HB ARG 36 19.426 10.503 -16.019 289 HB3 ARG 36 3HB ARG 36 17.713 10.879 -16.138 290 HG2 ARG 36 2HG ARG 36 18.150 13.224 -15.883 291 HG3 ARG 36 3HG ARG 36 19.857 12.910 -15.562 292 HD2 ARG 36 2HD ARG 36 19.984 13.443 -17.775 293 HD3 ARG 36 3HD ARG 36 19.707 11.707 -17.910 294 HE ARG 36 HE ARG 36 17.214 12.908 -17.903 295 HH11 ARG 36 1HH1 ARG 36 20.080 12.944 -19.880 296 HH12 ARG 36 2HH1 ARG 36 19.221 13.277 -21.347 297 HH21 ARG 36 1HH2 ARG 36 16.072 13.346 -19.828 298 HH22 ARG 36 2HH2 ARG 36 16.942 13.506 -21.317 299 H ALA 37 H ALA 37 15.978 11.050 -14.349 300 HA ALA 37 HA ALA 37 15.485 13.763 -13.738 301 HB1 ALA 37 1HB ALA 37 13.807 12.753 -14.979 302 HB2 ALA 37 2HB ALA 37 13.754 11.330 -13.939 303 HB3 ALA 37 3HB ALA 37 13.091 12.862 -13.371 304 H LEU 38 H LEU 38 15.727 10.886 -11.770 305 HA LEU 38 HA LEU 38 14.463 11.816 -9.446 306 HB2 LEU 38 2HB LEU 38 14.847 9.632 -9.140 307 HB3 LEU 38 3HB LEU 38 16.269 9.639 -10.181 308 HG LEU 38 HG LEU 38 17.519 10.658 -8.219 309 HD11 LEU 38 1HD1 LEU 38 16.315 11.282 -6.462 310 HD12 LEU 38 2HD1 LEU 38 16.030 9.575 -6.127 311 HD13 LEU 38 3HD1 LEU 38 14.872 10.488 -7.094 312 HD21 LEU 38 1HD2 LEU 38 16.509 7.880 -8.461 313 HD22 LEU 38 2HD2 LEU 38 17.370 8.312 -6.984 314 HD23 LEU 38 3HD2 LEU 38 18.157 8.500 -8.551 315 H LYS 39 H LYS 39 17.601 12.462 -10.786 316 HA LYS 39 HA LYS 39 18.997 13.323 -8.542 317 HB2 LYS 39 2HB LYS 39 20.517 14.293 -10.007 318 HB3 LYS 39 3HB LYS 39 19.757 13.068 -11.013 319 HG2 LYS 39 2HG LYS 39 19.480 14.715 -12.487 320 HG3 LYS 39 3HG LYS 39 18.152 15.235 -11.446 321 HD2 LYS 39 2HD LYS 39 20.698 16.204 -10.474 322 HD3 LYS 39 3HD LYS 39 20.413 16.706 -12.143 323 HE2 LYS 39 2HE LYS 39 17.985 17.183 -11.040 324 HE3 LYS 39 3HE LYS 39 19.040 17.493 -9.662 325 HZ1 LYS 39 1HZ LYS 39 20.356 18.927 -11.287 326 HZ2 LYS 39 2HZ LYS 39 18.876 19.533 -10.734 327 HZ3 LYS 39 3HZ LYS 39 18.989 18.857 -12.281 328 H LYS 40 H LYS 40 16.361 14.795 -10.218 329 HA LYS 40 HA LYS 40 16.721 17.481 -9.526 330 HB2 LYS 40 2HB LYS 40 15.019 16.577 -11.131 331 HB3 LYS 40 3HB LYS 40 14.080 16.028 -9.749 332 HG2 LYS 40 2HG LYS 40 14.112 18.457 -8.976 333 HG3 LYS 40 3HG LYS 40 14.676 18.839 -10.605 334 HD2 LYS 40 2HD LYS 40 12.553 18.845 -11.271 335 HD3 LYS 40 3HD LYS 40 12.492 17.113 -10.938 336 HE2 LYS 40 2HE LYS 40 12.030 19.181 -8.806 337 HE3 LYS 40 3HE LYS 40 10.727 18.572 -9.825 338 HZ1 LYS 40 1HZ LYS 40 12.213 17.223 -7.706 339 HZ2 LYS 40 2HZ LYS 40 11.739 16.284 -9.030 340 HZ3 LYS 40 3HZ LYS 40 10.577 17.110 -8.120 341 H MET 41 H MET 41 15.891 14.765 -7.597 342 HA MET 41 HA MET 41 14.905 16.468 -5.425 343 HB2 MET 41 2HB MET 41 15.055 13.473 -5.306 344 HB3 MET 41 3HB MET 41 13.969 14.558 -4.449 345 HG2 MET 41 2HG MET 41 13.322 15.047 -7.053 346 HG3 MET 41 3HG MET 41 13.712 13.329 -7.083 347 HE1 MET 41 1HE MET 41 11.537 16.141 -5.754 348 HE2 MET 41 2HE MET 41 10.305 15.353 -4.769 349 HE3 MET 41 3HE MET 41 11.949 15.526 -4.153 350 H GLY 42 H GLY 42 17.660 14.670 -6.446 351 HA2 GLY 42 2HA GLY 42 19.769 14.525 -5.539 352 HA3 GLY 42 3HA GLY 42 19.260 15.692 -4.327 353 H ASP 43 H ASP 43 17.040 13.295 -4.190 354 HA ASP 43 HA ASP 43 18.540 11.873 -2.090 355 HB2 ASP 43 2HB ASP 43 15.866 13.059 -2.140 356 HB3 ASP 43 3HB ASP 43 15.871 11.392 -1.571 357 H THR 44 H THR 44 19.327 10.365 -3.657 358 HA THR 44 HA THR 44 17.381 8.680 -5.012 359 HB THR 44 HB THR 44 19.181 7.712 -6.196 360 HG1 THR 44 HG1 THR 44 21.420 8.450 -5.418 361 HG21 THR 44 1HG2 THR 44 18.791 10.437 -6.203 362 HG22 THR 44 2HG2 THR 44 19.723 9.529 -7.394 363 HG23 THR 44 3HG2 THR 44 20.539 10.290 -6.028 364 H SER 45 H SER 45 18.095 8.785 -1.972 365 HA SER 45 HA SER 45 19.095 6.184 -1.365 366 HB2 SER 45 2HB SER 45 19.121 6.915 0.776 367 HB3 SER 45 3HB SER 45 18.760 8.491 0.071 368 HG SER 45 HG SER 45 17.109 6.739 1.463 369 H CYS 46 H CYS 46 15.861 7.628 -1.459 370 HA CYS 46 HA CYS 46 14.631 5.066 -0.830 371 HB2 CYS 46 2HB CYS 46 13.783 7.226 0.133 372 HB3 CYS 46 3HB CYS 46 13.279 7.689 -1.489 373 H PHE 47 H PHE 47 15.369 7.033 -3.565 374 HA PHE 47 HA PHE 47 13.436 5.896 -5.340 375 HB2 PHE 47 2HB PHE 47 14.792 8.147 -5.506 376 HB3 PHE 47 3HB PHE 47 15.977 7.133 -6.324 377 HD1 PHE 47 HD1 PHE 47 13.091 9.110 -6.722 378 HD2 PHE 47 HD2 PHE 47 15.059 5.668 -8.271 379 HE1 PHE 47 HE1 PHE 47 11.824 9.334 -8.819 380 HE2 PHE 47 HE2 PHE 47 13.796 5.887 -10.371 381 HZ PHE 47 HZ PHE 47 12.176 7.722 -10.648 382 H ASP 48 H ASP 48 16.720 5.144 -4.407 383 HA ASP 48 HA ASP 48 17.486 3.460 -6.477 384 HB2 ASP 48 2HB ASP 48 18.302 3.928 -3.711 385 HB3 ASP 48 3HB ASP 48 18.560 2.264 -4.226 386 H GLU 49 H GLU 49 15.394 2.847 -3.725 387 HA GLU 49 HA GLU 49 15.249 0.018 -4.143 388 HB2 GLU 49 2HB GLU 49 13.462 1.864 -2.550 389 HB3 GLU 49 3HB GLU 49 13.399 0.108 -2.501 390 HG2 GLU 49 2HG GLU 49 15.628 1.892 -1.568 391 HG3 GLU 49 3HG GLU 49 14.602 0.840 -0.595 392 H ILE 50 H ILE 50 13.138 2.770 -4.881 393 HA ILE 50 HA ILE 50 11.082 1.211 -6.071 394 HB ILE 50 HB ILE 50 10.030 3.202 -6.632 395 HG12 ILE 50 2HG1 ILE 50 11.650 5.368 -6.547 396 HG13 ILE 50 3HG1 ILE 50 12.791 4.155 -7.117 397 HG21 ILE 50 1HG2 ILE 50 10.982 2.928 -4.128 398 HG22 ILE 50 2HG2 ILE 50 11.645 4.508 -4.543 399 HG23 ILE 50 3HG2 ILE 50 9.906 4.232 -4.629 400 HD11 ILE 50 1HD1 ILE 50 10.282 4.020 -8.544 401 HD12 ILE 50 2HD1 ILE 50 11.026 5.615 -8.653 402 HD13 ILE 50 3HD1 ILE 50 11.928 4.186 -9.156 403 H LEU 51 H LEU 51 14.056 2.591 -7.238 404 HA LEU 51 HA LEU 51 13.580 2.683 -9.974 405 HB2 LEU 51 2HB LEU 51 15.770 3.122 -10.147 406 HB3 LEU 51 3HB LEU 51 15.707 3.184 -8.386 407 HG LEU 51 HG LEU 51 16.300 0.653 -8.545 408 HD11 LEU 51 1HD1 LEU 51 17.979 0.639 -10.648 409 HD12 LEU 51 2HD1 LEU 51 16.659 1.603 -11.310 410 HD13 LEU 51 3HD1 LEU 51 16.343 -0.019 -10.694 411 HD21 LEU 51 1HD2 LEU 51 18.762 1.835 -9.243 412 HD22 LEU 51 2HD2 LEU 51 18.136 1.495 -7.630 413 HD23 LEU 51 3HD2 LEU 51 17.828 3.060 -8.384 414 H LYS 52 H LYS 52 14.227 -0.042 -7.885 415 HA LYS 52 HA LYS 52 14.797 -1.916 -9.951 416 HB2 LYS 52 2HB LYS 52 14.617 -1.917 -7.082 417 HB3 LYS 52 3HB LYS 52 13.727 -3.290 -7.727 418 HG2 LYS 52 2HG LYS 52 15.974 -3.969 -7.274 419 HG3 LYS 52 3HG LYS 52 15.740 -3.927 -9.023 420 HD2 LYS 52 2HD LYS 52 16.627 -1.402 -8.544 421 HD3 LYS 52 3HD LYS 52 17.498 -2.312 -7.308 422 HE2 LYS 52 2HE LYS 52 18.861 -2.243 -9.269 423 HE3 LYS 52 3HE LYS 52 18.242 -3.885 -9.097 424 HZ1 LYS 52 1HZ LYS 52 16.396 -3.047 -10.665 425 HZ2 LYS 52 2HZ LYS 52 17.905 -3.442 -11.318 426 HZ3 LYS 52 3HZ LYS 52 17.493 -1.822 -11.060 427 H GLY 53 H GLY 53 11.869 -1.121 -8.103 428 HA2 GLY 53 2HA GLY 53 10.263 -3.054 -9.500 429 HA3 GLY 53 3HA GLY 53 9.685 -1.828 -8.381 430 H LEU 54 H LEU 54 11.325 0.103 -10.204 431 HA LEU 54 HA LEU 54 9.060 0.887 -11.789 432 HB2 LEU 54 2HB LEU 54 11.198 2.198 -10.664 433 HB3 LEU 54 3HB LEU 54 11.593 2.209 -12.381 434 HG LEU 54 HG LEU 54 9.098 3.335 -11.111 435 HD11 LEU 54 1HD1 LEU 54 10.506 5.270 -12.565 436 HD12 LEU 54 2HD1 LEU 54 11.710 4.419 -11.598 437 HD13 LEU 54 3HD1 LEU 54 10.316 5.163 -10.814 438 HD21 LEU 54 1HD2 LEU 54 8.815 4.270 -13.476 439 HD22 LEU 54 2HD2 LEU 54 8.409 2.574 -13.212 440 HD23 LEU 54 3HD2 LEU 54 9.941 3.006 -13.972 441 H LYS 55 H LYS 55 10.092 -1.672 -12.491 442 HA LYS 55 HA LYS 55 11.410 -1.237 -15.068 443 HB2 LYS 55 2HB LYS 55 11.459 -3.325 -13.104 444 HB3 LYS 55 3HB LYS 55 10.911 -3.993 -14.636 445 HG2 LYS 55 2HG LYS 55 13.338 -4.166 -14.354 446 HG3 LYS 55 3HG LYS 55 12.896 -3.173 -15.745 447 HD2 LYS 55 2HD LYS 55 13.944 -1.394 -14.903 448 HD3 LYS 55 3HD LYS 55 13.138 -1.578 -13.344 449 HE2 LYS 55 2HE LYS 55 15.244 -1.973 -12.629 450 HE3 LYS 55 3HE LYS 55 14.888 -3.606 -13.189 451 HZ1 LYS 55 1HZ LYS 55 15.849 -1.994 -15.317 452 HZ2 LYS 55 2HZ LYS 55 16.467 -3.449 -14.717 453 HZ3 LYS 55 3HZ LYS 55 16.945 -1.980 -14.028 454 H GLU 56 H GLU 56 8.549 -0.601 -14.465 455 HA GLU 56 HA GLU 56 7.274 -2.391 -16.426 456 HB2 GLU 56 2HB GLU 56 6.373 -2.094 -13.981 457 HB3 GLU 56 3HB GLU 56 5.710 -0.593 -14.612 458 HG2 GLU 56 2HG GLU 56 4.060 -2.355 -14.698 459 HG3 GLU 56 3HG GLU 56 4.502 -1.845 -16.326 460 H ILE 57 H ILE 57 8.718 -0.694 -17.727 461 HA ILE 57 HA ILE 57 7.392 1.830 -18.187 462 HB ILE 57 HB ILE 57 9.778 1.840 -18.369 463 HG12 ILE 57 2HG1 ILE 57 10.084 2.748 -20.623 464 HG13 ILE 57 3HG1 ILE 57 8.590 1.980 -21.149 465 HG21 ILE 57 1HG2 ILE 57 10.269 -0.437 -18.830 466 HG22 ILE 57 2HG2 ILE 57 9.399 -0.382 -20.362 467 HG23 ILE 57 3HG2 ILE 57 10.911 0.506 -20.174 468 HD11 ILE 57 1HD1 ILE 57 7.368 3.673 -20.407 469 HD12 ILE 57 2HD1 ILE 57 8.173 3.663 -18.837 470 HD13 ILE 57 3HD1 ILE 57 8.882 4.550 -20.186 471 H LYS 58 H LYS 58 5.945 2.289 -19.725 472 HA LYS 58 HA LYS 58 5.510 0.323 -21.873 473 HB2 LYS 58 2HB LYS 58 3.348 1.795 -20.355 474 HB3 LYS 58 3HB LYS 58 3.095 0.678 -21.690 475 HG2 LYS 58 2HG LYS 58 4.653 -0.546 -19.594 476 HG3 LYS 58 3HG LYS 58 3.121 0.078 -18.978 477 HD2 LYS 58 2HD LYS 58 2.513 -2.038 -19.662 478 HD3 LYS 58 3HD LYS 58 2.126 -1.083 -21.096 479 HE2 LYS 58 2HE LYS 58 3.277 -3.018 -21.846 480 HE3 LYS 58 3HE LYS 58 4.407 -1.671 -21.973 481 HZ1 LYS 58 1HZ LYS 58 4.854 -4.047 -20.698 482 HZ2 LYS 58 2HZ LYS 58 4.564 -2.963 -19.433 483 HZ3 LYS 58 3HZ LYS 58 5.790 -2.645 -20.554 484 H CYS 59 H CYS 59 7.122 2.445 -22.316 485 HA CYS 59 HA CYS 59 6.149 4.879 -23.055 486 HB2 CYS 59 2HB CYS 59 8.494 4.431 -23.247 487 HB3 CYS 59 3HB CYS 59 8.215 3.167 -24.441 488 H GLY 60 H GLY 60 5.059 5.771 -24.763 489 HA2 GLY 60 2HA GLY 60 3.539 5.850 -26.482 490 HA3 GLY 60 3HA GLY 60 4.535 4.612 -27.233 491 H GLY 61 H GLY 61 2.422 3.918 -28.105 492 HA2 GLY 61 2HA GLY 61 0.279 2.997 -26.625 493 HA3 GLY 61 3HA GLY 61 0.772 2.320 -28.170 494 H SER 62 H SER 62 2.567 0.704 -28.077 495 HA SER 62 HA SER 62 3.326 -0.606 -25.728 496 HB2 SER 62 2HB SER 62 1.288 -1.512 -25.213 497 HB3 SER 62 3HB SER 62 0.722 -1.457 -26.882 498 HG SER 62 HG SER 62 2.617 -3.294 -25.834 499 H TRP 63 H TRP 63 5.152 -1.562 -26.301 500 HA TRP 63 HA TRP 63 5.327 -2.772 -28.983 501 HB2 TRP 63 2HB TRP 63 7.912 -2.246 -28.463 502 HB3 TRP 63 3HB TRP 63 6.849 -1.106 -29.285 503 HD1 TRP 63 HD1 TRP 63 6.931 1.254 -28.320 504 HE1 TRP 63 HE1 TRP 63 7.537 2.307 -26.051 505 HE3 TRP 63 HE3 TRP 63 7.848 -3.017 -25.663 506 HZ2 TRP 63 HZ2 TRP 63 8.303 1.441 -23.476 507 HZ3 TRP 63 HZ3 TRP 63 8.513 -2.817 -23.303 508 HH2 TRP 63 HH2 TRP 63 8.736 -0.633 -22.234 509 H LEU 64 H LEU 64 7.486 -4.221 -28.962 510 HA LEU 64 HA LEU 64 7.073 -6.123 -26.764 511 HB2 LEU 64 2HB LEU 64 8.273 -7.713 -28.315 512 HB3 LEU 64 3HB LEU 64 6.674 -7.172 -28.824 513 HG LEU 64 HG LEU 64 8.846 -5.539 -29.896 514 HD11 LEU 64 1HD1 LEU 64 9.083 -7.604 -31.629 515 HD12 LEU 64 2HD1 LEU 64 8.983 -8.465 -30.093 516 HD13 LEU 64 3HD1 LEU 64 10.233 -7.246 -30.341 517 HD21 LEU 64 1HD2 LEU 64 7.089 -6.983 -31.720 518 HD22 LEU 64 2HD2 LEU 64 7.363 -5.250 -31.542 519 HD23 LEU 64 3HD2 LEU 64 6.219 -6.075 -30.483 520 H GLU 65 H GLU 65 8.501 -5.952 -25.171 521 HA GLU 65 HA GLU 65 11.103 -4.790 -25.584 522 HB2 GLU 65 2HB GLU 65 11.400 -5.130 -23.171 523 HB3 GLU 65 3HB GLU 65 9.876 -4.329 -23.527 524 HG2 GLU 65 2HG GLU 65 8.647 -6.335 -23.141 525 HG3 GLU 65 3HG GLU 65 10.129 -7.280 -23.017 526 H HIS 66 H HIS 66 13.079 -5.797 -25.497 527 HA HIS 66 HA HIS 66 14.527 -7.481 -26.066 528 HB2 HIS 66 2HB HIS 66 14.868 -9.016 -24.329 529 HB3 HIS 66 3HB HIS 66 14.089 -7.654 -23.529 530 HD1 HIS 66 HD1 HIS 66 13.275 -11.106 -24.847 531 HD2 HIS 66 HD2 HIS 66 11.760 -8.259 -22.228 532 HE1 HIS 66 HE1 HIS 66 11.362 -12.231 -23.666 Start of MODEL 8 1 H1 ALA 1 H ALA 1 3.175 -1.767 0.023 2 HA ALA 1 HA ALA 1 3.605 -1.740 -2.650 3 HB1 ALA 1 1HB ALA 1 1.769 0.451 -1.872 4 HB2 ALA 1 2HB ALA 1 3.043 0.833 -3.031 5 HB3 ALA 1 3HB ALA 1 1.886 -0.450 -3.384 6 H SER 2 H SER 2 5.271 -0.135 -3.372 7 HA SER 2 HA SER 2 7.346 0.030 -1.505 8 HB2 SER 2 2HB SER 2 8.237 0.128 -3.602 9 HB3 SER 2 3HB SER 2 6.871 1.034 -4.253 10 HG SER 2 HG SER 2 9.059 2.104 -3.940 11 HA PRO 3 HA PRO 3 6.521 3.671 0.812 12 HB2 PRO 3 2HB PRO 3 9.054 4.424 1.432 13 HB3 PRO 3 3HB PRO 3 8.258 3.031 2.173 14 HG2 PRO 3 2HG PRO 3 10.226 3.110 -0.082 15 HG3 PRO 3 3HG PRO 3 10.149 1.999 1.298 16 HD2 PRO 3 2HD PRO 3 9.243 1.329 -1.163 17 HD3 PRO 3 3HD PRO 3 8.507 0.706 0.327 18 H CYS 4 H CYS 4 8.700 3.813 -1.928 19 HA CYS 4 HA CYS 4 8.068 6.677 -2.224 20 HB2 CYS 4 2HB CYS 4 10.612 5.180 -2.835 21 HB3 CYS 4 3HB CYS 4 10.260 6.750 -3.551 22 H ASP 5 H ASP 5 6.465 4.547 -3.216 23 HA ASP 5 HA ASP 5 6.996 3.962 -5.927 24 HB2 ASP 5 2HB ASP 5 4.862 2.996 -5.996 25 HB3 ASP 5 3HB ASP 5 5.337 2.825 -4.308 26 H LYS 6 H LYS 6 5.463 6.659 -4.329 27 HA LYS 6 HA LYS 6 4.114 7.774 -6.525 28 HB2 LYS 6 2HB LYS 6 4.251 9.909 -5.236 29 HB3 LYS 6 3HB LYS 6 3.627 8.553 -4.306 30 HG2 LYS 6 2HG LYS 6 6.235 8.361 -3.697 31 HG3 LYS 6 3HG LYS 6 6.111 10.100 -3.972 32 HD2 LYS 6 2HD LYS 6 4.018 8.811 -2.305 33 HD3 LYS 6 3HD LYS 6 5.625 9.005 -1.601 34 HE2 LYS 6 2HE LYS 6 5.512 11.425 -2.255 35 HE3 LYS 6 3HE LYS 6 3.827 11.159 -2.700 36 HZ1 LYS 6 1HZ LYS 6 5.020 10.834 -0.002 37 HZ2 LYS 6 2HZ LYS 6 3.430 10.415 -0.397 38 HZ3 LYS 6 3HZ LYS 6 3.926 12.029 -0.489 39 H GLN 7 H GLN 7 7.463 7.877 -5.542 40 HA GLN 7 HA GLN 7 8.255 10.050 -7.185 41 HB2 GLN 7 2HB GLN 7 9.645 7.896 -5.672 42 HB3 GLN 7 3HB GLN 7 10.555 8.725 -6.928 43 HG2 GLN 7 2HG GLN 7 10.976 9.794 -4.834 44 HG3 GLN 7 3HG GLN 7 10.017 10.878 -5.841 45 HE21 GLN 7 1HE2 GLN 7 9.001 8.088 -3.929 46 HE22 GLN 7 2HE2 GLN 7 7.929 8.962 -2.895 47 H LYS 8 H LYS 8 7.868 6.619 -7.724 48 HA LYS 8 HA LYS 8 9.297 6.497 -10.179 49 HB2 LYS 8 2HB LYS 8 8.803 4.292 -10.137 50 HB3 LYS 8 3HB LYS 8 8.290 4.632 -8.490 51 HG2 LYS 8 2HG LYS 8 5.981 4.979 -9.348 52 HG3 LYS 8 3HG LYS 8 6.544 4.450 -10.935 53 HD2 LYS 8 2HD LYS 8 7.307 2.320 -9.844 54 HD3 LYS 8 3HD LYS 8 6.483 2.854 -8.378 55 HE2 LYS 8 2HE LYS 8 5.120 2.585 -11.050 56 HE3 LYS 8 3HE LYS 8 5.171 1.293 -9.852 57 HZ1 LYS 8 1HZ LYS 8 4.172 2.991 -8.279 58 HZ2 LYS 8 2HZ LYS 8 3.157 2.383 -9.486 59 HZ3 LYS 8 3HZ LYS 8 3.837 3.923 -9.650 60 H ASN 9 H ASN 9 5.926 7.078 -9.329 61 HA ASN 9 HA ASN 9 4.982 7.055 -12.027 62 HB2 ASN 9 2HB ASN 9 3.355 6.567 -10.385 63 HB3 ASN 9 3HB ASN 9 3.796 7.968 -9.413 64 HD21 ASN 9 1HD2 ASN 9 2.510 7.090 -12.590 65 HD22 ASN 9 2HD2 ASN 9 1.438 8.439 -12.722 66 H TYR 10 H TYR 10 6.005 9.552 -9.756 67 HA TYR 10 HA TYR 10 5.219 11.793 -11.250 68 HB2 TYR 10 2HB TYR 10 5.794 12.305 -9.062 69 HB3 TYR 10 3HB TYR 10 7.247 11.312 -9.101 70 HD1 TYR 10 HD1 TYR 10 9.317 12.331 -9.366 71 HD2 TYR 10 HD2 TYR 10 5.816 14.424 -10.581 72 HE1 TYR 10 HE1 TYR 10 10.676 14.331 -9.817 73 HE2 TYR 10 HE2 TYR 10 7.166 16.429 -11.036 74 HH TYR 10 HH TYR 10 9.984 16.652 -11.640 75 H ILE 11 H ILE 11 8.186 9.879 -11.288 76 HA ILE 11 HA ILE 11 9.456 11.578 -13.242 77 HB ILE 11 HB ILE 11 10.261 8.835 -12.265 78 HG12 ILE 11 2HG1 ILE 11 10.163 10.615 -10.507 79 HG13 ILE 11 3HG1 ILE 11 11.778 9.966 -10.772 80 HG21 ILE 11 1HG2 ILE 11 11.477 10.774 -14.155 81 HG22 ILE 11 2HG2 ILE 11 12.552 9.890 -13.073 82 HG23 ILE 11 3HG2 ILE 11 11.492 9.011 -14.175 83 HD11 ILE 11 1HD1 ILE 11 11.362 12.542 -10.541 84 HD12 ILE 11 2HD1 ILE 11 12.556 11.911 -11.675 85 HD13 ILE 11 3HD1 ILE 11 10.966 12.409 -12.254 86 H ASP 12 H ASP 12 7.956 8.366 -13.216 87 HA ASP 12 HA ASP 12 8.465 7.723 -15.906 88 HB2 ASP 12 2HB ASP 12 7.705 6.131 -14.107 89 HB3 ASP 12 3HB ASP 12 6.089 6.811 -14.277 90 H LYS 13 H LYS 13 5.956 9.619 -14.376 91 HA LYS 13 HA LYS 13 4.361 9.798 -16.780 92 HB2 LYS 13 2HB LYS 13 2.807 10.997 -15.505 93 HB3 LYS 13 3HB LYS 13 3.501 9.860 -14.357 94 HG2 LYS 13 2HG LYS 13 4.980 11.629 -13.519 95 HG3 LYS 13 3HG LYS 13 4.239 12.766 -14.647 96 HD2 LYS 13 2HD LYS 13 2.491 11.235 -12.777 97 HD3 LYS 13 3HD LYS 13 3.415 12.604 -12.156 98 HE2 LYS 13 2HE LYS 13 2.304 13.530 -14.528 99 HE3 LYS 13 3HE LYS 13 1.024 12.568 -13.791 100 HZ1 LYS 13 1HZ LYS 13 0.738 14.689 -12.917 101 HZ2 LYS 13 2HZ LYS 13 2.396 14.944 -12.697 102 HZ3 LYS 13 3HZ LYS 13 1.564 13.871 -11.688 103 H GLN 14 H GLN 14 6.878 11.602 -15.217 104 HA GLN 14 HA GLN 14 6.436 13.944 -16.892 105 HB2 GLN 14 2HB GLN 14 8.288 13.320 -14.611 106 HB3 GLN 14 3HB GLN 14 8.564 14.722 -15.637 107 HG2 GLN 14 2HG GLN 14 6.000 14.197 -14.155 108 HG3 GLN 14 3HG GLN 14 7.315 15.198 -13.542 109 HE21 GLN 14 1HE2 GLN 14 4.677 14.971 -15.744 110 HE22 GLN 14 2HE2 GLN 14 4.718 16.606 -16.301 111 H LEU 15 H LEU 15 8.055 11.020 -17.090 112 HA LEU 15 HA LEU 15 10.108 12.091 -18.897 113 HB2 LEU 15 2HB LEU 15 10.634 10.510 -16.933 114 HB3 LEU 15 3HB LEU 15 9.942 9.250 -17.953 115 HG LEU 15 HG LEU 15 11.946 10.769 -19.381 116 HD11 LEU 15 1HD1 LEU 15 13.805 10.571 -18.096 117 HD12 LEU 15 2HD1 LEU 15 13.189 9.171 -17.219 118 HD13 LEU 15 3HD1 LEU 15 12.619 10.789 -16.809 119 HD21 LEU 15 1HD2 LEU 15 10.874 8.259 -19.433 120 HD22 LEU 15 2HD2 LEU 15 12.457 7.967 -18.712 121 HD23 LEU 15 3HD2 LEU 15 12.337 8.757 -20.284 122 H LEU 16 H LEU 16 7.071 10.715 -18.945 123 HA LEU 16 HA LEU 16 7.331 9.038 -21.245 124 HB2 LEU 16 2HB LEU 16 5.316 9.700 -19.358 125 HB3 LEU 16 3HB LEU 16 4.669 9.999 -20.970 126 HG LEU 16 HG LEU 16 5.063 7.708 -21.605 127 HD11 LEU 16 1HD1 LEU 16 6.871 7.763 -19.378 128 HD12 LEU 16 2HD1 LEU 16 6.719 6.571 -20.669 129 HD13 LEU 16 3HD1 LEU 16 5.737 6.422 -19.212 130 HD21 LEU 16 1HD2 LEU 16 3.755 6.632 -19.544 131 HD22 LEU 16 2HD2 LEU 16 2.978 7.698 -20.714 132 HD23 LEU 16 3HD2 LEU 16 3.517 8.337 -19.160 133 HA PRO 17 HA PRO 17 5.608 13.135 -23.271 134 HB2 PRO 17 2HB PRO 17 6.652 15.386 -22.169 135 HB3 PRO 17 3HB PRO 17 5.121 14.679 -21.640 136 HG2 PRO 17 2HG PRO 17 7.842 14.438 -20.415 137 HG3 PRO 17 3HG PRO 17 6.278 14.698 -19.622 138 HD2 PRO 17 2HD PRO 17 7.474 12.271 -19.725 139 HD3 PRO 17 3HD PRO 17 5.710 12.467 -19.733 140 H ILE 18 H ILE 18 8.853 13.158 -21.827 141 HA ILE 18 HA ILE 18 10.044 14.337 -24.175 142 HB ILE 18 HB ILE 18 12.186 14.003 -23.018 143 HG12 ILE 18 2HG1 ILE 18 10.527 12.756 -20.816 144 HG13 ILE 18 3HG1 ILE 18 11.576 11.861 -21.910 145 HG21 ILE 18 1HG2 ILE 18 9.944 15.531 -22.030 146 HG22 ILE 18 2HG2 ILE 18 11.082 15.150 -20.738 147 HG23 ILE 18 3HG2 ILE 18 11.639 15.992 -22.184 148 HD11 ILE 18 1HD1 ILE 18 12.285 12.829 -19.463 149 HD12 ILE 18 2HD1 ILE 18 13.405 12.381 -20.751 150 HD13 ILE 18 3HD1 ILE 18 12.916 14.063 -20.552 151 H VAL 19 H VAL 19 9.418 11.156 -22.974 152 HA VAL 19 HA VAL 19 11.353 9.854 -24.678 153 HB VAL 19 HB VAL 19 10.428 9.014 -22.398 154 HG11 VAL 19 1HG1 VAL 19 8.351 7.863 -24.257 155 HG12 VAL 19 2HG1 VAL 19 8.520 7.544 -22.529 156 HG13 VAL 19 3HG1 VAL 19 8.055 9.151 -23.089 157 HG21 VAL 19 1HG2 VAL 19 11.945 7.568 -23.276 158 HG22 VAL 19 2HG2 VAL 19 10.500 6.577 -23.475 159 HG23 VAL 19 3HG2 VAL 19 11.135 7.494 -24.841 160 H ASN 20 H ASN 20 7.838 10.297 -24.611 161 HA ASN 20 HA ASN 20 7.463 8.840 -27.071 162 HB2 ASN 20 2HB ASN 20 5.633 10.403 -25.261 163 HB3 ASN 20 3HB ASN 20 5.084 9.801 -26.822 164 HD21 ASN 20 1HD2 ASN 20 5.229 9.134 -23.615 165 HD22 ASN 20 2HD2 ASN 20 5.051 7.416 -23.667 166 H LYS 21 H LYS 21 8.518 11.909 -26.313 167 HA LYS 21 HA LYS 21 7.254 13.491 -28.276 168 HB2 LYS 21 2HB LYS 21 9.417 13.775 -26.382 169 HB3 LYS 21 3HB LYS 21 9.847 14.509 -27.921 170 HG2 LYS 21 2HG LYS 21 8.037 16.002 -27.838 171 HG3 LYS 21 3HG LYS 21 7.242 15.093 -26.551 172 HD2 LYS 21 2HD LYS 21 8.430 16.113 -24.945 173 HD3 LYS 21 3HD LYS 21 9.934 16.005 -25.862 174 HE2 LYS 21 2HE LYS 21 9.721 18.238 -26.015 175 HE3 LYS 21 3HE LYS 21 8.587 17.855 -27.309 176 HZ1 LYS 21 1HZ LYS 21 7.531 17.936 -24.590 177 HZ2 LYS 21 2HZ LYS 21 6.811 18.413 -26.044 178 HZ3 LYS 21 3HZ LYS 21 7.947 19.416 -25.294 179 H ALA 22 H ALA 22 10.271 11.629 -28.316 180 HA ALA 22 HA ALA 22 10.779 12.313 -31.085 181 HB1 ALA 22 1HB ALA 22 12.699 10.663 -30.763 182 HB2 ALA 22 2HB ALA 22 12.733 12.143 -29.803 183 HB3 ALA 22 3HB ALA 22 12.222 10.625 -29.065 184 H GLY 23 H GLY 23 9.605 9.563 -29.225 185 HA2 GLY 23 2HA GLY 23 8.010 8.450 -31.142 186 HA3 GLY 23 3HA GLY 23 9.595 7.764 -31.466 187 H CYS 24 H CYS 24 10.602 6.469 -29.833 188 HA CYS 24 HA CYS 24 9.664 5.794 -27.359 189 HB2 CYS 24 2HB CYS 24 7.885 4.830 -29.408 190 HB3 CYS 24 3HB CYS 24 8.604 3.469 -28.553 191 H SER 25 H SER 25 11.832 5.440 -27.016 192 HA SER 25 HA SER 25 13.329 3.567 -28.601 193 HB2 SER 25 2HB SER 25 15.191 4.252 -27.401 194 HB3 SER 25 3HB SER 25 14.156 5.672 -27.254 195 HG SER 25 HG SER 25 14.684 3.662 -25.344 196 H ARG 26 H ARG 26 14.840 2.218 -26.721 197 HA ARG 26 HA ARG 26 13.072 0.059 -26.064 198 HB2 ARG 26 2HB ARG 26 15.152 -0.994 -25.141 199 HB3 ARG 26 3HB ARG 26 15.266 -0.506 -26.826 200 HG2 ARG 26 2HG ARG 26 16.138 1.593 -25.032 201 HG3 ARG 26 3HG ARG 26 17.051 0.099 -24.808 202 HD2 ARG 26 2HD ARG 26 16.574 0.927 -27.600 203 HD3 ARG 26 3HD ARG 26 17.651 1.959 -26.660 204 HE ARG 26 HE ARG 26 18.301 -0.817 -26.426 205 HH11 ARG 26 1HH1 ARG 26 18.671 2.016 -28.416 206 HH12 ARG 26 2HH1 ARG 26 20.146 1.472 -29.143 207 HH21 ARG 26 1HH2 ARG 26 20.242 -1.544 -27.377 208 HH22 ARG 26 2HH2 ARG 26 21.039 -0.553 -28.553 209 HA PRO 27 HA PRO 27 12.101 1.009 -21.889 210 HB2 PRO 27 2HB PRO 27 11.964 -1.478 -20.810 211 HB3 PRO 27 3HB PRO 27 10.739 -0.842 -21.914 212 HG2 PRO 27 2HG PRO 27 13.031 -2.682 -22.485 213 HG3 PRO 27 3HG PRO 27 11.356 -2.769 -23.060 214 HD2 PRO 27 2HD PRO 27 13.372 -1.802 -24.587 215 HD3 PRO 27 3HD PRO 27 11.708 -1.197 -24.709 216 H GLU 28 H GLU 28 14.871 -1.051 -22.532 217 HA GLU 28 HA GLU 28 15.949 -1.107 -19.932 218 HB2 GLU 28 2HB GLU 28 17.356 -1.285 -22.602 219 HB3 GLU 28 3HB GLU 28 18.079 -1.691 -21.052 220 HG2 GLU 28 2HG GLU 28 16.614 -3.535 -20.756 221 HG3 GLU 28 3HG GLU 28 15.625 -3.047 -22.131 222 H GLU 29 H GLU 29 16.399 1.134 -22.631 223 HA GLU 29 HA GLU 29 18.344 2.724 -21.243 224 HB2 GLU 29 2HB GLU 29 16.732 3.320 -23.731 225 HB3 GLU 29 3HB GLU 29 18.079 4.284 -23.143 226 HG2 GLU 29 2HG GLU 29 18.345 1.380 -23.859 227 HG3 GLU 29 3HG GLU 29 18.584 2.684 -25.020 228 H VAL 30 H VAL 30 14.875 2.769 -21.658 229 HA VAL 30 HA VAL 30 14.345 5.402 -20.856 230 HB VAL 30 HB VAL 30 12.664 2.915 -20.522 231 HG11 VAL 30 1HG1 VAL 30 11.505 4.223 -19.096 232 HG12 VAL 30 2HG1 VAL 30 12.209 5.715 -19.724 233 HG13 VAL 30 3HG1 VAL 30 10.881 4.935 -20.584 234 HG21 VAL 30 1HG2 VAL 30 13.383 4.420 -22.795 235 HG22 VAL 30 2HG2 VAL 30 12.200 3.116 -22.685 236 HG23 VAL 30 3HG2 VAL 30 11.693 4.788 -22.450 237 H GLU 31 H GLU 31 14.872 2.458 -18.993 238 HA GLU 31 HA GLU 31 14.052 3.370 -16.484 239 HB2 GLU 31 2HB GLU 31 14.959 1.016 -17.389 240 HB3 GLU 31 3HB GLU 31 16.429 1.592 -16.615 241 HG2 GLU 31 2HG GLU 31 15.406 1.688 -14.502 242 HG3 GLU 31 3HG GLU 31 13.791 1.535 -15.190 243 H GLU 32 H GLU 32 17.078 3.803 -18.217 244 HA GLU 32 HA GLU 32 18.557 4.872 -16.048 245 HB2 GLU 32 2HB GLU 32 18.921 4.519 -18.927 246 HB3 GLU 32 3HB GLU 32 19.674 5.984 -18.314 247 HG2 GLU 32 2HG GLU 32 21.353 4.400 -18.152 248 HG3 GLU 32 3HG GLU 32 20.698 4.473 -16.517 249 H ARG 33 H ARG 33 16.514 6.307 -18.533 250 HA ARG 33 HA ARG 33 17.144 9.001 -18.072 251 HB2 ARG 33 2HB ARG 33 14.464 7.912 -18.942 252 HB3 ARG 33 3HB ARG 33 15.098 9.525 -19.239 253 HG2 ARG 33 2HG ARG 33 16.978 7.706 -20.285 254 HG3 ARG 33 3HG ARG 33 15.382 7.163 -20.808 255 HD2 ARG 33 2HD ARG 33 15.141 9.802 -21.257 256 HD3 ARG 33 3HD ARG 33 16.879 9.616 -21.493 257 HE ARG 33 HE ARG 33 15.391 7.643 -22.915 258 HH11 ARG 33 1HH1 ARG 33 16.434 10.963 -22.997 259 HH12 ARG 33 2HH1 ARG 33 16.376 11.075 -24.725 260 HH21 ARG 33 1HH2 ARG 33 15.311 7.777 -25.190 261 HH22 ARG 33 2HH2 ARG 33 15.736 9.262 -25.972 262 H ILE 34 H ILE 34 14.916 6.815 -16.466 263 HA ILE 34 HA ILE 34 13.448 8.698 -14.996 264 HB ILE 34 HB ILE 34 14.165 5.889 -14.150 265 HG12 ILE 34 2HG1 ILE 34 11.873 6.940 -15.819 266 HG13 ILE 34 3HG1 ILE 34 13.145 5.842 -16.344 267 HG21 ILE 34 1HG2 ILE 34 12.782 6.121 -12.411 268 HG22 ILE 34 2HG2 ILE 34 12.927 7.855 -12.690 269 HG23 ILE 34 3HG2 ILE 34 11.570 6.963 -13.376 270 HD11 ILE 34 1HD1 ILE 34 11.481 4.347 -15.981 271 HD12 ILE 34 2HD1 ILE 34 12.184 4.378 -14.363 272 HD13 ILE 34 3HD1 ILE 34 10.733 5.317 -14.712 273 H ARG 35 H ARG 35 16.524 7.101 -14.333 274 HA ARG 35 HA ARG 35 16.815 7.991 -11.671 275 HB2 ARG 35 2HB ARG 35 18.583 6.822 -13.744 276 HB3 ARG 35 3HB ARG 35 19.377 7.712 -12.451 277 HG2 ARG 35 2HG ARG 35 17.336 5.805 -11.556 278 HG3 ARG 35 3HG ARG 35 18.738 5.085 -12.350 279 HD2 ARG 35 2HD ARG 35 19.585 7.131 -10.527 280 HD3 ARG 35 3HD ARG 35 18.529 5.989 -9.697 281 HE ARG 35 HE ARG 35 20.546 4.708 -11.279 282 HH11 ARG 35 1HH1 ARG 35 19.863 6.191 -8.204 283 HH12 ARG 35 2HH1 ARG 35 21.106 5.326 -7.363 284 HH21 ARG 35 1HH2 ARG 35 22.186 3.563 -10.183 285 HH22 ARG 35 2HH2 ARG 35 22.428 3.832 -8.490 286 H ARG 36 H ARG 36 17.632 9.427 -14.773 287 HA ARG 36 HA ARG 36 19.265 11.514 -13.860 288 HB2 ARG 36 2HB ARG 36 19.145 10.970 -16.212 289 HB3 ARG 36 3HB ARG 36 17.432 11.367 -16.257 290 HG2 ARG 36 2HG ARG 36 17.846 13.667 -16.045 291 HG3 ARG 36 3HG ARG 36 19.515 13.401 -15.536 292 HD2 ARG 36 2HD ARG 36 19.573 12.198 -17.937 293 HD3 ARG 36 3HD ARG 36 18.326 13.407 -18.241 294 HE ARG 36 HE ARG 36 19.933 15.039 -18.170 295 HH11 ARG 36 1HH1 ARG 36 21.230 12.087 -16.858 296 HH12 ARG 36 2HH1 ARG 36 22.854 12.685 -16.772 297 HH21 ARG 36 1HH2 ARG 36 22.067 15.838 -18.062 298 HH22 ARG 36 2HH2 ARG 36 23.328 14.820 -17.457 299 H ALA 37 H ALA 37 15.757 11.410 -14.417 300 HA ALA 37 HA ALA 37 15.243 14.080 -13.673 301 HB1 ALA 37 1HB ALA 37 13.526 11.626 -13.841 302 HB2 ALA 37 2HB ALA 37 12.881 13.167 -13.276 303 HB3 ALA 37 3HB ALA 37 13.553 13.035 -14.901 304 H LEU 38 H LEU 38 15.543 11.118 -11.824 305 HA LEU 38 HA LEU 38 14.399 12.004 -9.416 306 HB2 LEU 38 2HB LEU 38 14.716 9.816 -9.135 307 HB3 LEU 38 3HB LEU 38 16.012 9.768 -10.328 308 HG LEU 38 HG LEU 38 17.512 10.694 -8.475 309 HD11 LEU 38 1HD1 LEU 38 16.078 9.486 -6.343 310 HD12 LEU 38 2HD1 LEU 38 15.035 10.687 -7.103 311 HD13 LEU 38 3HD1 LEU 38 16.624 11.155 -6.500 312 HD21 LEU 38 1HD2 LEU 38 18.095 8.557 -8.910 313 HD22 LEU 38 2HD2 LEU 38 16.435 7.968 -8.817 314 HD23 LEU 38 3HD2 LEU 38 17.350 8.265 -7.338 315 H LYS 39 H LYS 39 17.493 12.592 -10.872 316 HA LYS 39 HA LYS 39 19.032 13.298 -8.672 317 HB2 LYS 39 2HB LYS 39 19.943 13.104 -10.936 318 HB3 LYS 39 3HB LYS 39 19.037 14.525 -11.437 319 HG2 LYS 39 2HG LYS 39 20.590 15.213 -9.157 320 HG3 LYS 39 3HG LYS 39 21.630 14.393 -10.324 321 HD2 LYS 39 2HD LYS 39 21.680 16.737 -10.805 322 HD3 LYS 39 3HD LYS 39 20.755 15.939 -12.079 323 HE2 LYS 39 2HE LYS 39 18.677 16.617 -11.036 324 HE3 LYS 39 3HE LYS 39 19.557 17.328 -9.684 325 HZ1 LYS 39 1HZ LYS 39 20.237 18.276 -12.358 326 HZ2 LYS 39 2HZ LYS 39 20.155 19.125 -10.898 327 HZ3 LYS 39 3HZ LYS 39 18.735 18.750 -11.738 328 H LYS 40 H LYS 40 16.378 14.955 -10.148 329 HA LYS 40 HA LYS 40 16.864 17.580 -9.323 330 HB2 LYS 40 2HB LYS 40 15.097 17.092 -10.889 331 HB3 LYS 40 3HB LYS 40 14.261 16.094 -9.706 332 HG2 LYS 40 2HG LYS 40 13.735 18.010 -8.370 333 HG3 LYS 40 3HG LYS 40 14.731 19.051 -9.391 334 HD2 LYS 40 2HD LYS 40 12.294 17.545 -10.339 335 HD3 LYS 40 3HD LYS 40 12.296 19.241 -9.850 336 HE2 LYS 40 2HE LYS 40 13.827 18.010 -12.138 337 HE3 LYS 40 3HE LYS 40 12.444 19.097 -12.253 338 HZ1 LYS 40 1HZ LYS 40 15.211 19.706 -11.442 339 HZ2 LYS 40 2HZ LYS 40 13.938 20.699 -10.936 340 HZ3 LYS 40 3HZ LYS 40 14.240 20.487 -12.587 341 H MET 41 H MET 41 16.025 14.791 -7.508 342 HA MET 41 HA MET 41 15.188 16.397 -5.205 343 HB2 MET 41 2HB MET 41 15.272 13.396 -5.253 344 HB3 MET 41 3HB MET 41 14.254 14.456 -4.287 345 HG2 MET 41 2HG MET 41 14.024 13.962 -7.246 346 HG3 MET 41 3HG MET 41 12.950 13.352 -5.990 347 HE1 MET 41 1HE MET 41 11.492 16.625 -4.536 348 HE2 MET 41 2HE MET 41 10.756 15.092 -5.005 349 HE3 MET 41 3HE MET 41 12.286 15.104 -4.127 350 H GLY 42 H GLY 42 17.852 14.601 -6.444 351 HA2 GLY 42 2HA GLY 42 19.997 14.368 -5.644 352 HA3 GLY 42 3HA GLY 42 19.566 15.471 -4.345 353 H ASP 43 H ASP 43 17.304 13.112 -4.246 354 HA ASP 43 HA ASP 43 18.866 11.541 -2.303 355 HB2 ASP 43 2HB ASP 43 16.213 12.772 -2.165 356 HB3 ASP 43 3HB ASP 43 16.219 11.078 -1.682 357 H THR 44 H THR 44 19.545 10.124 -4.008 358 HA THR 44 HA THR 44 17.493 8.545 -5.339 359 HB THR 44 HB THR 44 19.190 7.653 -6.710 360 HG1 THR 44 HG1 THR 44 21.443 7.975 -6.151 361 HG21 THR 44 1HG2 THR 44 19.700 9.544 -7.805 362 HG22 THR 44 2HG2 THR 44 20.611 10.191 -6.440 363 HG23 THR 44 3HG2 THR 44 18.858 10.374 -6.497 364 H SER 45 H SER 45 18.413 8.457 -2.354 365 HA SER 45 HA SER 45 19.424 5.817 -1.979 366 HB2 SER 45 2HB SER 45 19.046 6.202 0.386 367 HB3 SER 45 3HB SER 45 19.720 7.667 -0.330 368 HG SER 45 HG SER 45 17.349 7.303 0.918 369 H CYS 46 H CYS 46 16.208 7.285 -1.765 370 HA CYS 46 HA CYS 46 14.993 4.701 -1.202 371 HB2 CYS 46 2HB CYS 46 14.251 6.854 -0.094 372 HB3 CYS 46 3HB CYS 46 13.592 7.338 -1.653 373 H PHE 47 H PHE 47 15.580 6.805 -3.870 374 HA PHE 47 HA PHE 47 13.523 5.784 -5.576 375 HB2 PHE 47 2HB PHE 47 14.866 8.031 -5.717 376 HB3 PHE 47 3HB PHE 47 16.021 7.063 -6.627 377 HD1 PHE 47 HD1 PHE 47 13.059 8.991 -6.791 378 HD2 PHE 47 HD2 PHE 47 15.084 5.730 -8.629 379 HE1 PHE 47 HE1 PHE 47 11.708 9.302 -8.823 380 HE2 PHE 47 HE2 PHE 47 13.737 6.036 -10.665 381 HZ PHE 47 HZ PHE 47 12.047 7.825 -10.764 382 H ASP 48 H ASP 48 16.848 4.951 -4.895 383 HA ASP 48 HA ASP 48 17.471 3.380 -7.094 384 HB2 ASP 48 2HB ASP 48 19.138 3.939 -5.422 385 HB3 ASP 48 3HB ASP 48 18.271 3.012 -4.200 386 H GLU 49 H GLU 49 15.527 2.625 -4.268 387 HA GLU 49 HA GLU 49 15.306 -0.170 -4.869 388 HB2 GLU 49 2HB GLU 49 13.859 1.658 -2.960 389 HB3 GLU 49 3HB GLU 49 13.425 -0.036 -3.144 390 HG2 GLU 49 2HG GLU 49 15.344 -0.784 -2.152 391 HG3 GLU 49 3HG GLU 49 16.263 0.654 -2.594 392 H ILE 50 H ILE 50 13.206 2.661 -5.257 393 HA ILE 50 HA ILE 50 11.031 1.235 -6.391 394 HB ILE 50 HB ILE 50 10.010 3.288 -6.773 395 HG12 ILE 50 2HG1 ILE 50 11.721 5.390 -6.649 396 HG13 ILE 50 3HG1 ILE 50 12.762 4.179 -7.387 397 HG21 ILE 50 1HG2 ILE 50 11.752 4.461 -4.726 398 HG22 ILE 50 2HG2 ILE 50 10.019 4.136 -4.695 399 HG23 ILE 50 3HG2 ILE 50 11.165 2.840 -4.356 400 HD11 ILE 50 1HD1 ILE 50 10.563 5.686 -8.521 401 HD12 ILE 50 2HD1 ILE 50 11.872 4.812 -9.318 402 HD13 ILE 50 3HD1 ILE 50 10.419 3.952 -8.810 403 H LEU 51 H LEU 51 13.952 2.611 -7.696 404 HA LEU 51 HA LEU 51 13.258 2.834 -10.388 405 HB2 LEU 51 2HB LEU 51 15.420 3.320 -10.699 406 HB3 LEU 51 3HB LEU 51 15.500 3.283 -8.938 407 HG LEU 51 HG LEU 51 16.087 0.762 -9.306 408 HD11 LEU 51 1HD1 LEU 51 16.301 1.930 -12.011 409 HD12 LEU 51 2HD1 LEU 51 15.967 0.273 -11.510 410 HD13 LEU 51 3HD1 LEU 51 17.622 0.883 -11.493 411 HD21 LEU 51 1HD2 LEU 51 18.491 2.019 -10.067 412 HD22 LEU 51 2HD2 LEU 51 17.968 1.562 -8.446 413 HD23 LEU 51 3HD2 LEU 51 17.604 3.172 -9.069 414 H LYS 52 H LYS 52 14.044 0.037 -8.460 415 HA LYS 52 HA LYS 52 14.521 -1.758 -10.611 416 HB2 LYS 52 2HB LYS 52 14.242 -1.914 -7.700 417 HB3 LYS 52 3HB LYS 52 13.620 -3.331 -8.536 418 HG2 LYS 52 2HG LYS 52 15.816 -3.906 -8.146 419 HG3 LYS 52 3HG LYS 52 15.882 -3.279 -9.795 420 HD2 LYS 52 2HD LYS 52 17.388 -1.774 -9.160 421 HD3 LYS 52 3HD LYS 52 16.230 -1.096 -8.013 422 HE2 LYS 52 2HE LYS 52 16.936 -2.754 -6.345 423 HE3 LYS 52 3HE LYS 52 18.110 -3.398 -7.491 424 HZ1 LYS 52 1HZ LYS 52 18.181 -0.541 -6.802 425 HZ2 LYS 52 2HZ LYS 52 19.439 -1.554 -7.306 426 HZ3 LYS 52 3HZ LYS 52 18.842 -1.668 -5.727 427 H GLY 53 H GLY 53 11.655 -1.003 -8.657 428 HA2 GLY 53 2HA GLY 53 9.989 -2.899 -10.022 429 HA3 GLY 53 3HA GLY 53 9.453 -1.657 -8.900 430 H LEU 54 H LEU 54 11.073 0.247 -10.760 431 HA LEU 54 HA LEU 54 8.788 1.037 -12.315 432 HB2 LEU 54 2HB LEU 54 10.899 2.364 -11.204 433 HB3 LEU 54 3HB LEU 54 11.352 2.327 -12.907 434 HG LEU 54 HG LEU 54 8.778 3.458 -11.809 435 HD11 LEU 54 1HD1 LEU 54 10.382 4.984 -11.136 436 HD12 LEU 54 2HD1 LEU 54 9.902 5.604 -12.715 437 HD13 LEU 54 3HD1 LEU 54 11.402 4.692 -12.545 438 HD21 LEU 54 1HD2 LEU 54 9.902 3.160 -14.570 439 HD22 LEU 54 2HD2 LEU 54 8.784 4.469 -14.184 440 HD23 LEU 54 3HD2 LEU 54 8.282 2.790 -13.979 441 H LYS 55 H LYS 55 9.763 -1.523 -13.035 442 HA LYS 55 HA LYS 55 11.079 -1.111 -15.617 443 HB2 LYS 55 2HB LYS 55 11.018 -3.697 -15.598 444 HB3 LYS 55 3HB LYS 55 12.126 -2.873 -14.509 445 HG2 LYS 55 2HG LYS 55 11.008 -4.718 -13.395 446 HG3 LYS 55 3HG LYS 55 10.558 -3.174 -12.668 447 HD2 LYS 55 2HD LYS 55 8.435 -3.194 -13.734 448 HD3 LYS 55 3HD LYS 55 8.896 -4.544 -14.773 449 HE2 LYS 55 2HE LYS 55 8.417 -6.068 -13.198 450 HE3 LYS 55 3HE LYS 55 9.145 -5.105 -11.913 451 HZ1 LYS 55 1HZ LYS 55 7.157 -3.790 -11.773 452 HZ2 LYS 55 2HZ LYS 55 6.740 -5.422 -11.632 453 HZ3 LYS 55 3HZ LYS 55 6.463 -4.602 -13.085 454 H GLU 56 H GLU 56 8.247 -0.393 -15.022 455 HA GLU 56 HA GLU 56 6.914 -2.162 -16.964 456 HB2 GLU 56 2HB GLU 56 5.838 -0.549 -14.663 457 HB3 GLU 56 3HB GLU 56 4.791 -1.113 -15.958 458 HG2 GLU 56 2HG GLU 56 6.551 -3.072 -14.576 459 HG3 GLU 56 3HG GLU 56 5.096 -2.501 -13.762 460 H ILE 57 H ILE 57 8.402 -0.524 -18.287 461 HA ILE 57 HA ILE 57 6.963 1.958 -18.838 462 HB ILE 57 HB ILE 57 9.342 2.216 -18.644 463 HG12 ILE 57 2HG1 ILE 57 9.880 3.193 -20.837 464 HG13 ILE 57 3HG1 ILE 57 8.532 2.321 -21.559 465 HG21 ILE 57 1HG2 ILE 57 9.407 -0.307 -19.958 466 HG22 ILE 57 2HG2 ILE 57 10.363 0.840 -20.894 467 HG23 ILE 57 3HG2 ILE 57 10.728 0.573 -19.190 468 HD11 ILE 57 1HD1 ILE 57 8.529 4.876 -20.391 469 HD12 ILE 57 2HD1 ILE 57 7.161 3.971 -21.043 470 HD13 ILE 57 3HD1 ILE 57 7.581 3.828 -19.336 471 H LYS 58 H LYS 58 5.384 1.899 -20.283 472 HA LYS 58 HA LYS 58 5.753 0.266 -22.704 473 HB2 LYS 58 2HB LYS 58 3.222 -0.032 -22.660 474 HB3 LYS 58 3HB LYS 58 4.147 -0.955 -21.483 475 HG2 LYS 58 2HG LYS 58 3.608 0.713 -19.768 476 HG3 LYS 58 3HG LYS 58 2.650 1.605 -20.953 477 HD2 LYS 58 2HD LYS 58 1.671 -0.972 -21.132 478 HD3 LYS 58 3HD LYS 58 1.973 -0.765 -19.406 479 HE2 LYS 58 2HE LYS 58 -0.269 -0.065 -19.859 480 HE3 LYS 58 3HE LYS 58 0.692 1.371 -19.510 481 HZ1 LYS 58 1HZ LYS 58 0.929 1.636 -21.970 482 HZ2 LYS 58 2HZ LYS 58 -0.641 1.859 -21.382 483 HZ3 LYS 58 3HZ LYS 58 -0.227 0.416 -22.162 484 H CYS 59 H CYS 59 6.524 2.866 -22.684 485 HA CYS 59 HA CYS 59 4.729 4.869 -23.217 486 HB2 CYS 59 2HB CYS 59 6.474 6.024 -24.322 487 HB3 CYS 59 3HB CYS 59 7.274 5.001 -23.132 488 H GLY 60 H GLY 60 3.767 5.720 -25.097 489 HA2 GLY 60 2HA GLY 60 2.493 5.522 -27.000 490 HA3 GLY 60 3HA GLY 60 3.923 4.759 -27.678 491 H GLY 61 H GLY 61 2.929 3.199 -28.886 492 HA2 GLY 61 2HA GLY 61 0.734 1.649 -28.100 493 HA3 GLY 61 3HA GLY 61 1.902 1.197 -29.333 494 H SER 62 H SER 62 3.490 -0.270 -28.865 495 HA SER 62 HA SER 62 4.344 -1.040 -26.320 496 HB2 SER 62 2HB SER 62 1.822 -2.256 -27.190 497 HB3 SER 62 3HB SER 62 3.053 -3.438 -26.744 498 HG SER 62 HG SER 62 1.843 -1.445 -25.175 499 H TRP 63 H TRP 63 6.259 -1.937 -26.661 500 HA TRP 63 HA TRP 63 6.654 -3.515 -29.119 501 HB2 TRP 63 2HB TRP 63 9.161 -2.652 -28.583 502 HB3 TRP 63 3HB TRP 63 8.049 -1.810 -29.659 503 HD1 TRP 63 HD1 TRP 63 7.906 0.689 -29.179 504 HE1 TRP 63 HE1 TRP 63 8.215 2.203 -27.120 505 HE3 TRP 63 HE3 TRP 63 8.873 -2.901 -25.669 506 HZ2 TRP 63 HZ2 TRP 63 8.793 1.913 -24.372 507 HZ3 TRP 63 HZ3 TRP 63 9.294 -2.199 -23.349 508 HH2 TRP 63 HH2 TRP 63 9.255 0.159 -22.716 509 H LEU 64 H LEU 64 8.918 -4.741 -28.829 510 HA LEU 64 HA LEU 64 8.513 -6.454 -26.512 511 HB2 LEU 64 2HB LEU 64 9.796 -6.699 -29.149 512 HB3 LEU 64 3HB LEU 64 10.596 -7.564 -27.838 513 HG LEU 64 HG LEU 64 7.692 -7.914 -28.573 514 HD11 LEU 64 1HD1 LEU 64 10.116 -9.520 -29.359 515 HD12 LEU 64 2HD1 LEU 64 9.004 -8.667 -30.429 516 HD13 LEU 64 3HD1 LEU 64 8.453 -10.080 -29.529 517 HD21 LEU 64 1HD2 LEU 64 7.633 -8.885 -26.566 518 HD22 LEU 64 2HD2 LEU 64 9.389 -8.851 -26.403 519 HD23 LEU 64 3HD2 LEU 64 8.609 -10.167 -27.282 520 H GLU 65 H GLU 65 9.960 -6.760 -24.877 521 HA GLU 65 HA GLU 65 12.215 -4.872 -24.787 522 HB2 GLU 65 2HB GLU 65 12.071 -5.000 -22.366 523 HB3 GLU 65 3HB GLU 65 10.502 -4.576 -23.037 524 HG2 GLU 65 2HG GLU 65 10.464 -7.346 -22.889 525 HG3 GLU 65 3HG GLU 65 11.266 -6.830 -21.406 526 H HIS 66 H HIS 66 14.190 -5.580 -23.748 527 HA HIS 66 HA HIS 66 14.626 -8.484 -24.003 528 HB2 HIS 66 2HB HIS 66 15.717 -6.920 -25.741 529 HB3 HIS 66 3HB HIS 66 16.786 -6.431 -24.430 530 HD1 HIS 66 HD1 HIS 66 17.952 -8.676 -23.201 531 HD2 HIS 66 HD2 HIS 66 16.734 -8.971 -27.163 532 HE1 HIS 66 HE1 HIS 66 19.219 -10.630 -24.151 Start of MODEL 9 1 H1 ALA 1 H ALA 1 3.587 -2.622 -2.522 2 HA ALA 1 HA ALA 1 2.263 -0.084 -1.833 3 HB1 ALA 1 1HB ALA 1 2.454 -0.934 0.534 4 HB2 ALA 1 2HB ALA 1 1.364 -1.837 -0.519 5 HB3 ALA 1 3HB ALA 1 2.966 -2.477 -0.150 6 H SER 2 H SER 2 4.744 0.003 -3.128 7 HA SER 2 HA SER 2 6.961 0.135 -1.411 8 HB2 SER 2 2HB SER 2 7.284 2.072 -3.470 9 HB3 SER 2 3HB SER 2 7.970 0.450 -3.385 10 HG SER 2 HG SER 2 6.718 0.028 -5.010 11 HA PRO 3 HA PRO 3 6.348 3.823 0.898 12 HB2 PRO 3 2HB PRO 3 8.928 4.551 1.325 13 HB3 PRO 3 3HB PRO 3 8.169 3.181 2.143 14 HG2 PRO 3 2HG PRO 3 9.974 3.198 -0.245 15 HG3 PRO 3 3HG PRO 3 9.981 2.110 1.155 16 HD2 PRO 3 2HD PRO 3 8.895 1.414 -1.226 17 HD3 PRO 3 3HD PRO 3 8.258 0.824 0.323 18 H CYS 4 H CYS 4 8.691 4.017 -1.766 19 HA CYS 4 HA CYS 4 7.931 6.835 -2.151 20 HB2 CYS 4 2HB CYS 4 10.465 5.323 -2.651 21 HB3 CYS 4 3HB CYS 4 10.101 6.734 -3.640 22 H ASP 5 H ASP 5 6.231 4.807 -3.070 23 HA ASP 5 HA ASP 5 6.679 4.134 -5.783 24 HB2 ASP 5 2HB ASP 5 4.508 3.244 -5.779 25 HB3 ASP 5 3HB ASP 5 5.034 3.074 -4.106 26 H LYS 6 H LYS 6 5.327 6.923 -4.197 27 HA LYS 6 HA LYS 6 3.913 8.046 -6.343 28 HB2 LYS 6 2HB LYS 6 4.232 10.207 -5.135 29 HB3 LYS 6 3HB LYS 6 3.610 8.911 -4.121 30 HG2 LYS 6 2HG LYS 6 6.239 8.611 -3.673 31 HG3 LYS 6 3HG LYS 6 6.181 10.345 -4.004 32 HD2 LYS 6 2HD LYS 6 4.124 9.252 -2.172 33 HD3 LYS 6 3HD LYS 6 5.781 9.319 -1.568 34 HE2 LYS 6 2HE LYS 6 5.328 11.777 -2.831 35 HE3 LYS 6 3HE LYS 6 3.866 11.441 -1.907 36 HZ1 LYS 6 1HZ LYS 6 4.971 11.545 0.060 37 HZ2 LYS 6 2HZ LYS 6 5.931 12.619 -0.826 38 HZ3 LYS 6 3HZ LYS 6 6.444 11.025 -0.589 39 H GLN 7 H GLN 7 7.319 8.019 -5.561 40 HA GLN 7 HA GLN 7 8.117 10.095 -7.314 41 HB2 GLN 7 2HB GLN 7 9.482 7.905 -5.834 42 HB3 GLN 7 3HB GLN 7 10.352 8.643 -7.172 43 HG2 GLN 7 2HG GLN 7 10.968 9.736 -5.134 44 HG3 GLN 7 3HG GLN 7 10.026 10.851 -6.123 45 HE21 GLN 7 1HE2 GLN 7 8.976 8.200 -4.035 46 HE22 GLN 7 2HE2 GLN 7 8.009 9.174 -2.985 47 H LYS 8 H LYS 8 7.480 6.692 -7.746 48 HA LYS 8 HA LYS 8 8.756 6.404 -10.267 49 HB2 LYS 8 2HB LYS 8 8.375 4.359 -9.273 50 HB3 LYS 8 3HB LYS 8 6.787 4.823 -8.677 51 HG2 LYS 8 2HG LYS 8 7.122 4.618 -11.611 52 HG3 LYS 8 3HG LYS 8 7.125 3.116 -10.682 53 HD2 LYS 8 2HD LYS 8 4.925 3.237 -10.285 54 HD3 LYS 8 3HD LYS 8 5.007 4.954 -9.881 55 HE2 LYS 8 2HE LYS 8 5.162 5.420 -12.344 56 HE3 LYS 8 3HE LYS 8 4.814 3.714 -12.620 57 HZ1 LYS 8 1HZ LYS 8 3.006 5.796 -12.136 58 HZ2 LYS 8 2HZ LYS 8 2.906 4.715 -10.839 59 HZ3 LYS 8 3HZ LYS 8 2.671 4.162 -12.420 60 H ASN 9 H ASN 9 5.457 7.205 -9.281 61 HA ASN 9 HA ASN 9 4.396 7.234 -11.925 62 HB2 ASN 9 2HB ASN 9 2.806 6.915 -10.217 63 HB3 ASN 9 3HB ASN 9 3.420 8.269 -9.273 64 HD21 ASN 9 1HD2 ASN 9 1.681 7.391 -12.193 65 HD22 ASN 9 2HD2 ASN 9 0.818 8.879 -12.349 66 H TYR 10 H TYR 10 5.881 9.624 -9.836 67 HA TYR 10 HA TYR 10 5.160 11.901 -11.373 68 HB2 TYR 10 2HB TYR 10 5.779 12.461 -9.211 69 HB3 TYR 10 3HB TYR 10 7.141 11.346 -9.200 70 HD1 TYR 10 HD1 TYR 10 9.292 12.170 -9.499 71 HD2 TYR 10 HD2 TYR 10 5.987 14.505 -10.813 72 HE1 TYR 10 HE1 TYR 10 10.819 14.025 -10.025 73 HE2 TYR 10 HE2 TYR 10 7.505 16.366 -11.344 74 HH TYR 10 HH TYR 10 10.227 16.893 -10.231 75 H ILE 11 H ILE 11 7.960 9.753 -11.347 76 HA ILE 11 HA ILE 11 9.364 11.277 -13.351 77 HB ILE 11 HB ILE 11 9.926 8.523 -12.246 78 HG12 ILE 11 2HG1 ILE 11 10.054 10.425 -10.619 79 HG13 ILE 11 3HG1 ILE 11 11.584 9.589 -10.864 80 HG21 ILE 11 1HG2 ILE 11 11.185 8.386 -14.111 81 HG22 ILE 11 2HG2 ILE 11 11.200 10.131 -14.358 82 HG23 ILE 11 3HG2 ILE 11 12.295 9.398 -13.186 83 HD11 ILE 11 1HD1 ILE 11 12.558 11.378 -11.852 84 HD12 ILE 11 2HD1 ILE 11 11.045 11.963 -12.544 85 HD13 ILE 11 3HD1 ILE 11 11.392 12.226 -10.836 86 H ASP 12 H ASP 12 7.601 8.203 -13.228 87 HA ASP 12 HA ASP 12 8.049 7.418 -15.883 88 HB2 ASP 12 2HB ASP 12 7.125 5.961 -14.072 89 HB3 ASP 12 3HB ASP 12 5.598 6.827 -14.213 90 H LYS 13 H LYS 13 5.711 9.603 -14.460 91 HA LYS 13 HA LYS 13 4.186 9.860 -16.901 92 HB2 LYS 13 2HB LYS 13 2.740 11.258 -15.696 93 HB3 LYS 13 3HB LYS 13 3.285 10.082 -14.507 94 HG2 LYS 13 2HG LYS 13 4.913 11.698 -13.658 95 HG3 LYS 13 3HG LYS 13 4.353 12.878 -14.845 96 HD2 LYS 13 2HD LYS 13 2.053 11.970 -13.527 97 HD3 LYS 13 3HD LYS 13 3.261 12.222 -12.265 98 HE2 LYS 13 2HE LYS 13 2.768 14.284 -14.386 99 HE3 LYS 13 3HE LYS 13 1.759 14.200 -12.944 100 HZ1 LYS 13 1HZ LYS 13 3.815 14.391 -11.612 101 HZ2 LYS 13 2HZ LYS 13 3.514 15.753 -12.568 102 HZ3 LYS 13 3HZ LYS 13 4.693 14.635 -13.037 103 H GLN 14 H GLN 14 6.852 11.446 -15.358 104 HA GLN 14 HA GLN 14 6.665 13.778 -17.092 105 HB2 GLN 14 2HB GLN 14 8.441 13.016 -14.792 106 HB3 GLN 14 3HB GLN 14 8.858 14.360 -15.846 107 HG2 GLN 14 2HG GLN 14 6.283 14.115 -14.308 108 HG3 GLN 14 3HG GLN 14 7.685 15.053 -13.796 109 HE21 GLN 14 1HE2 GLN 14 5.003 14.857 -15.972 110 HE22 GLN 14 2HE2 GLN 14 5.122 16.463 -16.598 111 H LEU 15 H LEU 15 7.940 10.696 -17.245 112 HA LEU 15 HA LEU 15 10.128 11.495 -19.033 113 HB2 LEU 15 2HB LEU 15 9.560 9.088 -17.383 114 HB3 LEU 15 3HB LEU 15 10.495 8.879 -18.862 115 HG LEU 15 HG LEU 15 11.652 9.285 -16.522 116 HD11 LEU 15 1HD1 LEU 15 13.199 10.864 -18.263 117 HD12 LEU 15 2HD1 LEU 15 12.370 9.670 -19.261 118 HD13 LEU 15 3HD1 LEU 15 13.374 9.145 -17.909 119 HD21 LEU 15 1HD2 LEU 15 12.133 11.544 -16.030 120 HD22 LEU 15 2HD2 LEU 15 10.386 11.457 -16.253 121 HD23 LEU 15 3HD2 LEU 15 11.408 12.106 -17.536 122 H LEU 16 H LEU 16 6.941 10.498 -19.114 123 HA LEU 16 HA LEU 16 7.039 8.832 -21.442 124 HB2 LEU 16 2HB LEU 16 4.885 8.451 -21.011 125 HB3 LEU 16 3HB LEU 16 5.180 9.322 -19.508 126 HG LEU 16 HG LEU 16 4.508 11.411 -20.942 127 HD11 LEU 16 1HD1 LEU 16 4.253 9.493 -22.883 128 HD12 LEU 16 2HD1 LEU 16 3.503 11.089 -22.908 129 HD13 LEU 16 3HD1 LEU 16 2.594 9.698 -22.319 130 HD21 LEU 16 1HD2 LEU 16 2.731 9.348 -19.694 131 HD22 LEU 16 2HD2 LEU 16 2.056 10.815 -20.403 132 HD23 LEU 16 3HD2 LEU 16 3.212 10.928 -19.075 133 HA PRO 17 HA PRO 17 5.740 13.137 -23.354 134 HB2 PRO 17 2HB PRO 17 7.068 15.224 -22.236 135 HB3 PRO 17 3HB PRO 17 5.476 14.691 -21.682 136 HG2 PRO 17 2HG PRO 17 8.176 14.103 -20.531 137 HG3 PRO 17 3HG PRO 17 6.672 14.528 -19.694 138 HD2 PRO 17 2HD PRO 17 7.569 11.980 -19.873 139 HD3 PRO 17 3HD PRO 17 5.841 12.383 -19.833 140 H ILE 18 H ILE 18 9.001 12.790 -21.982 141 HA ILE 18 HA ILE 18 10.261 13.848 -24.348 142 HB ILE 18 HB ILE 18 12.382 13.217 -23.235 143 HG12 ILE 18 2HG1 ILE 18 11.607 12.658 -20.624 144 HG13 ILE 18 3HG1 ILE 18 10.540 11.657 -21.603 145 HG21 ILE 18 1HG2 ILE 18 11.283 15.393 -22.832 146 HG22 ILE 18 2HG2 ILE 18 10.488 14.700 -21.419 147 HG23 ILE 18 3HG2 ILE 18 12.245 14.845 -21.459 148 HD11 ILE 18 1HD1 ILE 18 12.191 10.180 -21.648 149 HD12 ILE 18 2HD1 ILE 18 13.028 11.283 -22.740 150 HD13 ILE 18 3HD1 ILE 18 13.351 11.344 -21.008 151 H VAL 19 H VAL 19 9.319 10.742 -23.156 152 HA VAL 19 HA VAL 19 11.059 9.257 -24.924 153 HB VAL 19 HB VAL 19 10.086 8.513 -22.613 154 HG11 VAL 19 1HG1 VAL 19 7.914 7.545 -24.468 155 HG12 VAL 19 2HG1 VAL 19 8.063 7.204 -22.743 156 HG13 VAL 19 3HG1 VAL 19 7.731 8.847 -23.292 157 HG21 VAL 19 1HG2 VAL 19 11.325 6.793 -23.297 158 HG22 VAL 19 2HG2 VAL 19 9.848 6.105 -23.971 159 HG23 VAL 19 3HG2 VAL 19 10.911 7.077 -24.988 160 H ASN 20 H ASN 20 7.613 10.066 -24.744 161 HA ASN 20 HA ASN 20 7.018 8.684 -27.207 162 HB2 ASN 20 2HB ASN 20 5.336 8.780 -25.435 163 HB3 ASN 20 3HB ASN 20 5.326 10.540 -25.517 164 HD21 ASN 20 1HD2 ASN 20 4.415 7.587 -27.114 165 HD22 ASN 20 2HD2 ASN 20 3.304 8.299 -28.230 166 H LYS 21 H LYS 21 8.401 11.619 -26.449 167 HA LYS 21 HA LYS 21 7.237 13.358 -28.335 168 HB2 LYS 21 2HB LYS 21 9.473 13.385 -26.519 169 HB3 LYS 21 3HB LYS 21 9.953 14.063 -28.069 170 HG2 LYS 21 2HG LYS 21 8.437 15.807 -27.925 171 HG3 LYS 21 3HG LYS 21 7.432 14.967 -26.742 172 HD2 LYS 21 2HD LYS 21 8.615 15.770 -25.021 173 HD3 LYS 21 3HD LYS 21 10.154 15.402 -25.803 174 HE2 LYS 21 2HE LYS 21 8.423 17.785 -26.453 175 HE3 LYS 21 3HE LYS 21 9.808 17.823 -25.363 176 HZ1 LYS 21 1HZ LYS 21 10.560 16.643 -27.810 177 HZ2 LYS 21 2HZ LYS 21 11.154 18.052 -27.088 178 HZ3 LYS 21 3HZ LYS 21 9.816 18.130 -28.120 179 H ALA 22 H ALA 22 10.103 11.266 -28.528 180 HA ALA 22 HA ALA 22 10.468 11.894 -31.336 181 HB1 ALA 22 1HB ALA 22 12.278 11.381 -29.487 182 HB2 ALA 22 2HB ALA 22 11.997 9.719 -30.006 183 HB3 ALA 22 3HB ALA 22 12.532 10.929 -31.173 184 H GLY 23 H GLY 23 9.347 9.208 -29.345 185 HA2 GLY 23 2HA GLY 23 7.559 8.128 -31.096 186 HA3 GLY 23 3HA GLY 23 9.087 7.399 -31.568 187 H CYS 24 H CYS 24 10.304 6.266 -29.848 188 HA CYS 24 HA CYS 24 9.419 5.573 -27.359 189 HB2 CYS 24 2HB CYS 24 7.706 4.451 -29.377 190 HB3 CYS 24 3HB CYS 24 8.535 3.154 -28.522 191 H SER 25 H SER 25 11.562 5.315 -26.926 192 HA SER 25 HA SER 25 13.246 3.607 -28.507 193 HB2 SER 25 2HB SER 25 14.196 4.336 -25.818 194 HB3 SER 25 3HB SER 25 14.962 4.573 -27.388 195 HG SER 25 HG SER 25 13.163 6.252 -27.590 196 H ARG 26 H ARG 26 14.779 2.298 -26.620 197 HA ARG 26 HA ARG 26 13.144 0.001 -26.100 198 HB2 ARG 26 2HB ARG 26 15.257 -0.947 -25.149 199 HB3 ARG 26 3HB ARG 26 15.402 -0.375 -26.805 200 HG2 ARG 26 2HG ARG 26 16.098 1.829 -25.298 201 HG3 ARG 26 3HG ARG 26 16.804 0.473 -24.416 202 HD2 ARG 26 2HD ARG 26 18.349 1.402 -26.086 203 HD3 ARG 26 3HD ARG 26 17.938 -0.279 -26.419 204 HE ARG 26 HE ARG 26 16.166 1.325 -27.849 205 HH11 ARG 26 1HH1 ARG 26 19.573 0.614 -27.764 206 HH12 ARG 26 2HH1 ARG 26 19.813 0.924 -29.451 207 HH21 ARG 26 1HH2 ARG 26 16.469 1.736 -30.072 208 HH22 ARG 26 2HH2 ARG 26 18.047 1.563 -30.763 209 HA PRO 27 HA PRO 27 11.937 0.825 -21.955 210 HB2 PRO 27 2HB PRO 27 11.707 -1.712 -21.018 211 HB3 PRO 27 3HB PRO 27 10.549 -0.996 -22.145 212 HG2 PRO 27 2HG PRO 27 12.837 -2.846 -22.700 213 HG3 PRO 27 3HG PRO 27 11.191 -2.872 -23.360 214 HD2 PRO 27 2HD PRO 27 13.296 -1.864 -24.733 215 HD3 PRO 27 3HD PRO 27 11.650 -1.223 -24.904 216 H GLU 28 H GLU 28 14.691 -1.274 -22.558 217 HA GLU 28 HA GLU 28 15.632 -1.414 -19.895 218 HB2 GLU 28 2HB GLU 28 16.575 -2.184 -22.544 219 HB3 GLU 28 3HB GLU 28 17.880 -1.637 -21.501 220 HG2 GLU 28 2HG GLU 28 17.341 -4.118 -21.501 221 HG3 GLU 28 3HG GLU 28 17.500 -3.322 -19.936 222 H GLU 29 H GLU 29 16.282 0.808 -22.563 223 HA GLU 29 HA GLU 29 18.284 2.280 -21.141 224 HB2 GLU 29 2HB GLU 29 18.466 2.354 -23.491 225 HB3 GLU 29 3HB GLU 29 16.766 2.749 -23.694 226 HG2 GLU 29 2HG GLU 29 18.174 4.668 -24.160 227 HG3 GLU 29 3HG GLU 29 17.150 4.959 -22.755 228 H VAL 30 H VAL 30 14.823 2.494 -21.531 229 HA VAL 30 HA VAL 30 14.415 5.138 -20.696 230 HB VAL 30 HB VAL 30 12.630 2.724 -20.367 231 HG11 VAL 30 1HG1 VAL 30 12.275 5.569 -19.616 232 HG12 VAL 30 2HG1 VAL 30 10.903 4.750 -20.366 233 HG13 VAL 30 3HG1 VAL 30 11.610 4.110 -18.882 234 HG21 VAL 30 1HG2 VAL 30 13.426 3.936 -22.669 235 HG22 VAL 30 2HG2 VAL 30 11.904 3.068 -22.465 236 HG23 VAL 30 3HG2 VAL 30 11.948 4.824 -22.298 237 H GLU 31 H GLU 31 14.847 2.158 -18.871 238 HA GLU 31 HA GLU 31 14.079 3.055 -16.344 239 HB2 GLU 31 2HB GLU 31 14.741 0.684 -17.142 240 HB3 GLU 31 3HB GLU 31 16.384 1.169 -16.746 241 HG2 GLU 31 2HG GLU 31 16.033 0.653 -14.630 242 HG3 GLU 31 3HG GLU 31 14.733 1.841 -14.547 243 H GLU 32 H GLU 32 17.107 3.434 -18.091 244 HA GLU 32 HA GLU 32 18.608 4.460 -15.910 245 HB2 GLU 32 2HB GLU 32 18.981 4.087 -18.788 246 HB3 GLU 32 3HB GLU 32 19.778 5.526 -18.169 247 HG2 GLU 32 2HG GLU 32 21.388 3.854 -18.018 248 HG3 GLU 32 3HG GLU 32 20.763 4.009 -16.377 249 H ARG 33 H ARG 33 16.559 5.918 -18.363 250 HA ARG 33 HA ARG 33 17.282 8.605 -17.932 251 HB2 ARG 33 2HB ARG 33 14.663 7.445 -18.900 252 HB3 ARG 33 3HB ARG 33 15.117 9.140 -19.010 253 HG2 ARG 33 2HG ARG 33 17.234 7.892 -20.212 254 HG3 ARG 33 3HG ARG 33 15.868 6.884 -20.694 255 HD2 ARG 33 2HD ARG 33 15.571 8.398 -22.317 256 HD3 ARG 33 3HD ARG 33 14.867 9.399 -21.047 257 HE ARG 33 HE ARG 33 16.676 10.786 -21.198 258 HH11 ARG 33 1HH1 ARG 33 17.461 7.743 -22.696 259 HH12 ARG 33 2HH1 ARG 33 18.984 8.291 -23.314 260 HH21 ARG 33 1HH2 ARG 33 18.679 11.520 -22.006 261 HH22 ARG 33 2HH2 ARG 33 19.676 10.439 -22.920 262 H ILE 34 H ILE 34 15.035 6.469 -16.303 263 HA ILE 34 HA ILE 34 13.557 8.365 -14.870 264 HB ILE 34 HB ILE 34 14.317 5.590 -13.951 265 HG12 ILE 34 2HG1 ILE 34 11.988 6.553 -15.624 266 HG13 ILE 34 3HG1 ILE 34 13.291 5.495 -16.153 267 HG21 ILE 34 1HG2 ILE 34 13.023 7.596 -12.566 268 HG22 ILE 34 2HG2 ILE 34 11.705 6.608 -13.195 269 HG23 ILE 34 3HG2 ILE 34 12.962 5.872 -12.202 270 HD11 ILE 34 1HD1 ILE 34 12.129 4.295 -13.887 271 HD12 ILE 34 2HD1 ILE 34 10.812 4.818 -14.938 272 HD13 ILE 34 3HD1 ILE 34 12.072 3.754 -15.565 273 H ARG 35 H ARG 35 16.650 6.817 -14.163 274 HA ARG 35 HA ARG 35 16.935 7.792 -11.531 275 HB2 ARG 35 2HB ARG 35 18.701 6.560 -13.563 276 HB3 ARG 35 3HB ARG 35 19.501 7.515 -12.322 277 HG2 ARG 35 2HG ARG 35 17.488 5.619 -11.333 278 HG3 ARG 35 3HG ARG 35 18.909 4.894 -12.086 279 HD2 ARG 35 2HD ARG 35 19.701 7.043 -10.358 280 HD3 ARG 35 3HD ARG 35 18.668 5.916 -9.480 281 HE ARG 35 HE ARG 35 20.695 4.581 -10.983 282 HH11 ARG 35 1HH1 ARG 35 20.064 6.303 -8.024 283 HH12 ARG 35 2HH1 ARG 35 21.347 5.535 -7.150 284 HH21 ARG 35 1HH2 ARG 35 22.388 3.562 -9.843 285 HH22 ARG 35 2HH2 ARG 35 22.669 3.977 -8.185 286 H ARG 36 H ARG 36 17.755 9.133 -14.677 287 HA ARG 36 HA ARG 36 19.357 11.269 -13.814 288 HB2 ARG 36 2HB ARG 36 19.324 10.685 -16.137 289 HB3 ARG 36 3HB ARG 36 17.590 10.955 -16.239 290 HG2 ARG 36 2HG ARG 36 17.951 13.348 -15.832 291 HG3 ARG 36 3HG ARG 36 19.692 13.061 -15.780 292 HD2 ARG 36 2HD ARG 36 18.811 11.870 -18.149 293 HD3 ARG 36 3HD ARG 36 17.951 13.406 -18.053 294 HE ARG 36 HE ARG 36 19.930 14.499 -18.417 295 HH11 ARG 36 1HH1 ARG 36 20.590 11.191 -17.555 296 HH12 ARG 36 2HH1 ARG 36 22.282 11.299 -17.910 297 HH21 ARG 36 1HH2 ARG 36 22.157 14.654 -18.888 298 HH22 ARG 36 2HH2 ARG 36 23.173 13.269 -18.667 299 H ALA 37 H ALA 37 15.861 11.109 -14.436 300 HA ALA 37 HA ALA 37 15.291 13.791 -13.815 301 HB1 ALA 37 1HB ALA 37 13.629 12.646 -14.993 302 HB2 ALA 37 2HB ALA 37 13.621 11.300 -13.853 303 HB3 ALA 37 3HB ALA 37 12.946 12.859 -13.380 304 H LEU 38 H LEU 38 15.638 10.937 -11.810 305 HA LEU 38 HA LEU 38 14.469 11.931 -9.456 306 HB2 LEU 38 2HB LEU 38 14.814 9.752 -9.099 307 HB3 LEU 38 3HB LEU 38 16.162 9.688 -10.232 308 HG LEU 38 HG LEU 38 17.565 10.720 -8.372 309 HD11 LEU 38 1HD1 LEU 38 16.579 11.300 -6.476 310 HD12 LEU 38 2HD1 LEU 38 16.073 9.631 -6.223 311 HD13 LEU 38 3HD1 LEU 38 15.026 10.745 -7.101 312 HD21 LEU 38 1HD2 LEU 38 17.392 8.367 -7.099 313 HD22 LEU 38 2HD2 LEU 38 18.178 8.564 -8.666 314 HD23 LEU 38 3HD2 LEU 38 16.520 7.965 -8.578 315 H LYS 39 H LYS 39 17.568 12.476 -10.926 316 HA LYS 39 HA LYS 39 19.071 13.336 -8.753 317 HB2 LYS 39 2HB LYS 39 20.015 12.999 -10.988 318 HB3 LYS 39 3HB LYS 39 19.109 14.381 -11.591 319 HG2 LYS 39 2HG LYS 39 20.627 15.217 -9.337 320 HG3 LYS 39 3HG LYS 39 21.687 14.333 -10.437 321 HD2 LYS 39 2HD LYS 39 21.734 16.640 -11.066 322 HD3 LYS 39 3HD LYS 39 20.821 15.763 -12.295 323 HE2 LYS 39 2HE LYS 39 18.737 16.515 -11.351 324 HE3 LYS 39 3HE LYS 39 19.577 17.261 -9.992 325 HZ1 LYS 39 1HZ LYS 39 18.858 18.789 -11.843 326 HZ2 LYS 39 2HZ LYS 39 20.061 18.079 -12.796 327 HZ3 LYS 39 3HZ LYS 39 20.482 18.905 -11.380 328 H LYS 40 H LYS 40 16.428 14.866 -10.377 329 HA LYS 40 HA LYS 40 16.881 17.544 -9.717 330 HB2 LYS 40 2HB LYS 40 15.150 16.946 -11.284 331 HB3 LYS 40 3HB LYS 40 14.299 16.014 -10.060 332 HG2 LYS 40 2HG LYS 40 13.797 18.040 -8.827 333 HG3 LYS 40 3HG LYS 40 14.710 18.997 -9.996 334 HD2 LYS 40 2HD LYS 40 12.283 17.330 -10.659 335 HD3 LYS 40 3HD LYS 40 12.256 19.070 -10.361 336 HE2 LYS 40 2HE LYS 40 13.756 17.646 -12.558 337 HE3 LYS 40 3HE LYS 40 12.297 18.619 -12.747 338 HZ1 LYS 40 1HZ LYS 40 14.037 20.278 -11.467 339 HZ2 LYS 40 2HZ LYS 40 13.676 20.306 -13.119 340 HZ3 LYS 40 3HZ LYS 40 15.028 19.454 -12.563 341 H MET 41 H MET 41 16.025 14.871 -7.743 342 HA MET 41 HA MET 41 15.139 16.619 -5.564 343 HB2 MET 41 2HB MET 41 15.208 13.617 -5.449 344 HB3 MET 41 3HB MET 41 14.199 14.729 -4.533 345 HG2 MET 41 2HG MET 41 13.478 15.245 -7.131 346 HG3 MET 41 3HG MET 41 13.757 13.505 -7.132 347 HE1 MET 41 1HE MET 41 12.131 16.465 -5.516 348 HE2 MET 41 2HE MET 41 10.626 15.873 -4.813 349 HE3 MET 41 3HE MET 41 12.148 15.655 -3.949 350 H GLY 42 H GLY 42 17.819 14.741 -6.635 351 HA2 GLY 42 2HA GLY 42 19.946 14.547 -5.778 352 HA3 GLY 42 3HA GLY 42 19.498 15.738 -4.565 353 H ASP 43 H ASP 43 17.224 13.388 -4.366 354 HA ASP 43 HA ASP 43 18.731 11.961 -2.274 355 HB2 ASP 43 2HB ASP 43 16.070 13.181 -2.305 356 HB3 ASP 43 3HB ASP 43 16.068 11.525 -1.707 357 H THR 44 H THR 44 19.471 10.431 -3.849 358 HA THR 44 HA THR 44 17.473 8.755 -5.142 359 HB THR 44 HB THR 44 19.223 7.773 -6.378 360 HG1 THR 44 HG1 THR 44 21.497 8.492 -5.644 361 HG21 THR 44 1HG2 THR 44 18.859 10.481 -6.409 362 HG22 THR 44 2HG2 THR 44 19.823 9.579 -7.579 363 HG23 THR 44 3HG2 THR 44 20.605 10.354 -6.200 364 H SER 45 H SER 45 18.272 8.878 -2.124 365 HA SER 45 HA SER 45 19.270 6.276 -1.524 366 HB2 SER 45 2HB SER 45 19.558 8.139 0.041 367 HB3 SER 45 3HB SER 45 17.809 8.260 0.238 368 HG SER 45 HG SER 45 19.593 6.475 1.339 369 H CYS 46 H CYS 46 16.045 7.739 -1.554 370 HA CYS 46 HA CYS 46 14.810 5.199 -0.856 371 HB2 CYS 46 2HB CYS 46 14.014 7.422 0.053 372 HB3 CYS 46 3HB CYS 46 13.430 7.790 -1.566 373 H PHE 47 H PHE 47 15.503 7.108 -3.646 374 HA PHE 47 HA PHE 47 13.532 5.940 -5.359 375 HB2 PHE 47 2HB PHE 47 14.886 8.184 -5.598 376 HB3 PHE 47 3HB PHE 47 16.056 7.152 -6.416 377 HD1 PHE 47 HD1 PHE 47 13.093 9.063 -6.764 378 HD2 PHE 47 HD2 PHE 47 15.172 5.707 -8.354 379 HE1 PHE 47 HE1 PHE 47 11.789 9.244 -8.843 380 HE2 PHE 47 HE2 PHE 47 13.872 5.883 -10.435 381 HZ PHE 47 HZ PHE 47 12.178 7.654 -10.682 382 H ASP 48 H ASP 48 16.827 5.194 -4.469 383 HA ASP 48 HA ASP 48 17.566 3.476 -6.516 384 HB2 ASP 48 2HB ASP 48 19.117 4.196 -4.768 385 HB3 ASP 48 3HB ASP 48 18.223 3.263 -3.570 386 H GLU 49 H GLU 49 15.487 2.905 -3.745 387 HA GLU 49 HA GLU 49 15.316 0.072 -4.151 388 HB2 GLU 49 2HB GLU 49 13.835 2.040 -2.429 389 HB3 GLU 49 3HB GLU 49 13.292 0.373 -2.566 390 HG2 GLU 49 2HG GLU 49 16.043 0.250 -2.048 391 HG3 GLU 49 3HG GLU 49 15.392 1.478 -0.963 392 H ILE 50 H ILE 50 13.227 2.847 -4.862 393 HA ILE 50 HA ILE 50 11.124 1.316 -6.002 394 HB ILE 50 HB ILE 50 10.098 3.320 -6.561 395 HG12 ILE 50 2HG1 ILE 50 11.761 5.455 -6.539 396 HG13 ILE 50 3HG1 ILE 50 12.865 4.213 -7.121 397 HG21 ILE 50 1HG2 ILE 50 11.782 4.625 -4.526 398 HG22 ILE 50 2HG2 ILE 50 10.037 4.376 -4.570 399 HG23 ILE 50 3HG2 ILE 50 11.103 3.062 -4.075 400 HD11 ILE 50 1HD1 ILE 50 10.406 3.989 -8.535 401 HD12 ILE 50 2HD1 ILE 50 10.948 5.667 -8.576 402 HD13 ILE 50 3HD1 ILE 50 12.012 4.383 -9.148 403 H LEU 51 H LEU 51 14.101 2.629 -7.238 404 HA LEU 51 HA LEU 51 13.571 2.693 -9.967 405 HB2 LEU 51 2HB LEU 51 15.771 3.074 -10.206 406 HB3 LEU 51 3HB LEU 51 15.724 3.223 -8.450 407 HG LEU 51 HG LEU 51 16.291 0.684 -8.483 408 HD11 LEU 51 1HD1 LEU 51 17.939 0.535 -10.604 409 HD12 LEU 51 2HD1 LEU 51 16.621 1.477 -11.300 410 HD13 LEU 51 3HD1 LEU 51 16.295 -0.105 -10.592 411 HD21 LEU 51 1HD2 LEU 51 18.748 1.835 -9.299 412 HD22 LEU 51 2HD2 LEU 51 18.173 1.521 -7.662 413 HD23 LEU 51 3HD2 LEU 51 17.834 3.071 -8.434 414 H LYS 52 H LYS 52 14.255 -0.009 -7.855 415 HA LYS 52 HA LYS 52 14.747 -1.915 -9.911 416 HB2 LYS 52 2HB LYS 52 14.375 -1.949 -6.985 417 HB3 LYS 52 3HB LYS 52 13.898 -3.426 -7.813 418 HG2 LYS 52 2HG LYS 52 16.048 -3.986 -7.555 419 HG3 LYS 52 3HG LYS 52 16.303 -2.952 -8.962 420 HD2 LYS 52 2HD LYS 52 17.862 -2.099 -7.501 421 HD3 LYS 52 3HD LYS 52 16.478 -1.059 -7.159 422 HE2 LYS 52 2HE LYS 52 15.897 -2.437 -5.240 423 HE3 LYS 52 3HE LYS 52 17.235 -3.528 -5.599 424 HZ1 LYS 52 1HZ LYS 52 18.646 -1.394 -5.395 425 HZ2 LYS 52 2HZ LYS 52 18.116 -2.166 -3.986 426 HZ3 LYS 52 3HZ LYS 52 17.319 -0.782 -4.543 427 H GLY 53 H GLY 53 11.883 -1.070 -7.988 428 HA2 GLY 53 2HA GLY 53 10.220 -3.013 -9.299 429 HA3 GLY 53 3HA GLY 53 9.685 -1.759 -8.189 430 H LEU 54 H LEU 54 11.299 0.106 -10.113 431 HA LEU 54 HA LEU 54 8.994 0.898 -11.632 432 HB2 LEU 54 2HB LEU 54 11.297 2.143 -10.674 433 HB3 LEU 54 3HB LEU 54 11.456 2.185 -12.429 434 HG LEU 54 HG LEU 54 9.212 3.347 -10.782 435 HD11 LEU 54 1HD1 LEU 54 10.395 5.219 -10.803 436 HD12 LEU 54 2HD1 LEU 54 10.472 5.172 -12.564 437 HD13 LEU 54 3HD1 LEU 54 11.716 4.370 -11.606 438 HD21 LEU 54 1HD2 LEU 54 9.450 2.749 -13.678 439 HD22 LEU 54 2HD2 LEU 54 8.722 4.287 -13.216 440 HD23 LEU 54 3HD2 LEU 54 8.027 2.772 -12.637 441 H LYS 55 H LYS 55 9.923 -1.701 -12.308 442 HA LYS 55 HA LYS 55 11.150 -1.368 -14.945 443 HB2 LYS 55 2HB LYS 55 11.078 -3.956 -14.845 444 HB3 LYS 55 3HB LYS 55 12.237 -3.101 -13.836 445 HG2 LYS 55 2HG LYS 55 11.158 -4.907 -12.616 446 HG3 LYS 55 3HG LYS 55 10.760 -3.336 -11.915 447 HD2 LYS 55 2HD LYS 55 8.579 -3.384 -12.761 448 HD3 LYS 55 3HD LYS 55 8.966 -4.643 -13.935 449 HE2 LYS 55 2HE LYS 55 9.187 -5.183 -11.000 450 HE3 LYS 55 3HE LYS 55 7.619 -5.254 -11.802 451 HZ1 LYS 55 1HZ LYS 55 9.078 -7.372 -11.612 452 HZ2 LYS 55 2HZ LYS 55 9.889 -6.726 -12.948 453 HZ3 LYS 55 3HZ LYS 55 8.234 -7.062 -13.045 454 H GLU 56 H GLU 56 8.351 -0.612 -14.288 455 HA GLU 56 HA GLU 56 6.931 -2.451 -16.098 456 HB2 GLU 56 2HB GLU 56 5.660 -0.490 -14.189 457 HB3 GLU 56 3HB GLU 56 4.880 -1.806 -15.055 458 HG2 GLU 56 2HG GLU 56 6.090 -3.433 -13.733 459 HG3 GLU 56 3HG GLU 56 6.954 -2.141 -12.901 460 H ILE 57 H ILE 57 8.390 -0.925 -17.566 461 HA ILE 57 HA ILE 57 7.232 1.651 -18.124 462 HB ILE 57 HB ILE 57 9.630 1.273 -18.459 463 HG12 ILE 57 2HG1 ILE 57 9.818 2.301 -20.681 464 HG13 ILE 57 3HG1 ILE 57 8.164 1.824 -21.050 465 HG21 ILE 57 1HG2 ILE 57 9.135 -0.317 -20.920 466 HG22 ILE 57 2HG2 ILE 57 10.537 -0.292 -19.852 467 HG23 ILE 57 3HG2 ILE 57 9.071 -1.144 -19.364 468 HD11 ILE 57 1HD1 ILE 57 8.861 3.630 -18.758 469 HD12 ILE 57 2HD1 ILE 57 8.509 4.221 -20.382 470 HD13 ILE 57 3HD1 ILE 57 7.278 3.339 -19.479 471 H LYS 58 H LYS 58 5.675 2.127 -19.538 472 HA LYS 58 HA LYS 58 4.909 0.093 -21.524 473 HB2 LYS 58 2HB LYS 58 3.001 1.811 -19.926 474 HB3 LYS 58 3HB LYS 58 2.555 0.636 -21.156 475 HG2 LYS 58 2HG LYS 58 2.349 -0.845 -19.520 476 HG3 LYS 58 3HG LYS 58 4.107 -0.805 -19.366 477 HD2 LYS 58 2HD LYS 58 3.328 -0.376 -17.201 478 HD3 LYS 58 3HD LYS 58 3.737 1.219 -17.837 479 HE2 LYS 58 2HE LYS 58 1.279 1.364 -18.534 480 HE3 LYS 58 3HE LYS 58 1.025 -0.018 -17.469 481 HZ1 LYS 58 1HZ LYS 58 0.654 1.664 -16.014 482 HZ2 LYS 58 2HZ LYS 58 1.690 2.748 -16.798 483 HZ3 LYS 58 3HZ LYS 58 2.329 1.532 -15.810 484 H CYS 59 H CYS 59 6.630 2.077 -22.204 485 HA CYS 59 HA CYS 59 5.677 4.520 -23.030 486 HB2 CYS 59 2HB CYS 59 8.023 3.972 -23.206 487 HB3 CYS 59 3HB CYS 59 7.683 2.713 -24.389 488 H GLY 60 H GLY 60 5.165 1.376 -24.477 489 HA2 GLY 60 2HA GLY 60 3.108 2.537 -26.189 490 HA3 GLY 60 3HA GLY 60 4.422 1.701 -27.003 491 H GLY 61 H GLY 61 1.922 0.792 -27.428 492 HA2 GLY 61 2HA GLY 61 0.826 -1.064 -25.692 493 HA3 GLY 61 3HA GLY 61 0.731 -1.171 -27.443 494 H SER 62 H SER 62 2.250 -2.432 -28.574 495 HA SER 62 HA SER 62 3.256 -4.658 -27.026 496 HB2 SER 62 2HB SER 62 3.583 -5.766 -29.101 497 HB3 SER 62 3HB SER 62 2.094 -4.841 -29.293 498 HG SER 62 HG SER 62 3.457 -4.564 -31.087 499 H TRP 63 H TRP 63 5.238 -4.785 -26.231 500 HA TRP 63 HA TRP 63 7.232 -2.826 -26.924 501 HB2 TRP 63 2HB TRP 63 6.828 -4.820 -24.809 502 HB3 TRP 63 3HB TRP 63 8.508 -4.645 -25.309 503 HD1 TRP 63 HD1 TRP 63 6.583 -3.477 -22.643 504 HE1 TRP 63 HE1 TRP 63 7.215 -1.106 -21.866 505 HE3 TRP 63 HE3 TRP 63 9.183 -1.936 -26.767 506 HZ2 TRP 63 HZ2 TRP 63 8.628 1.122 -22.868 507 HZ3 TRP 63 HZ3 TRP 63 10.142 0.329 -26.778 508 HH2 TRP 63 HH2 TRP 63 9.869 1.826 -24.868 509 H LEU 64 H LEU 64 8.226 -3.075 -28.830 510 HA LEU 64 HA LEU 64 9.038 -5.761 -29.678 511 HB2 LEU 64 2HB LEU 64 8.736 -3.145 -31.117 512 HB3 LEU 64 3HB LEU 64 9.616 -4.495 -31.831 513 HG LEU 64 HG LEU 64 6.701 -4.492 -31.049 514 HD11 LEU 64 1HD1 LEU 64 7.847 -4.707 -33.813 515 HD12 LEU 64 2HD1 LEU 64 7.449 -3.151 -33.087 516 HD13 LEU 64 3HD1 LEU 64 6.188 -4.360 -33.328 517 HD21 LEU 64 1HD2 LEU 64 6.857 -6.658 -32.489 518 HD22 LEU 64 2HD2 LEU 64 7.304 -6.701 -30.783 519 HD23 LEU 64 3HD2 LEU 64 8.558 -6.620 -32.022 520 H GLU 65 H GLU 65 10.462 -4.643 -27.543 521 HA GLU 65 HA GLU 65 12.917 -3.522 -28.595 522 HB2 GLU 65 2HB GLU 65 13.617 -3.310 -26.317 523 HB3 GLU 65 3HB GLU 65 11.931 -2.819 -26.401 524 HG2 GLU 65 2HG GLU 65 11.470 -4.245 -24.782 525 HG3 GLU 65 3HG GLU 65 11.922 -5.571 -25.851 526 H HIS 66 H HIS 66 14.869 -4.657 -27.079 527 HA HIS 66 HA HIS 66 15.652 -6.876 -28.530 528 HB2 HIS 66 2HB HIS 66 16.656 -5.377 -26.315 529 HB3 HIS 66 3HB HIS 66 16.828 -7.091 -25.949 530 HD1 HIS 66 HD1 HIS 66 18.462 -4.389 -27.691 531 HD2 HIS 66 HD2 HIS 66 18.263 -8.517 -28.118 532 HE1 HIS 66 HE1 HIS 66 20.420 -5.011 -29.141 Start of MODEL 10 1 H1 ALA 1 H ALA 1 2.562 -1.579 -2.473 2 HA ALA 1 HA ALA 1 1.559 0.971 -1.394 3 HB1 ALA 1 1HB ALA 1 0.507 -0.520 0.025 4 HB2 ALA 1 2HB ALA 1 1.849 -1.664 -0.012 5 HB3 ALA 1 3HB ALA 1 1.997 -0.161 0.898 6 H SER 2 H SER 2 3.849 0.750 -2.965 7 HA SER 2 HA SER 2 6.232 0.369 -1.523 8 HB2 SER 2 2HB SER 2 5.552 1.010 -4.150 9 HB3 SER 2 3HB SER 2 6.471 2.405 -3.586 10 HG SER 2 HG SER 2 8.136 1.191 -3.989 11 HA PRO 3 HA PRO 3 6.538 3.944 1.014 12 HB2 PRO 3 2HB PRO 3 9.237 4.183 1.173 13 HB3 PRO 3 3HB PRO 3 8.335 2.913 2.008 14 HG2 PRO 3 2HG PRO 3 9.849 2.776 -0.570 15 HG3 PRO 3 3HG PRO 3 9.809 1.612 0.767 16 HD2 PRO 3 2HD PRO 3 8.369 1.276 -1.501 17 HD3 PRO 3 3HD PRO 3 7.805 0.704 0.082 18 H CYS 4 H CYS 4 8.064 3.859 -2.118 19 HA CYS 4 HA CYS 4 7.769 6.770 -2.302 20 HB2 CYS 4 2HB CYS 4 10.263 5.179 -2.754 21 HB3 CYS 4 3HB CYS 4 9.972 6.610 -3.737 22 H ASP 5 H ASP 5 6.045 4.773 -3.285 23 HA ASP 5 HA ASP 5 6.539 4.139 -5.999 24 HB2 ASP 5 2HB ASP 5 4.595 3.497 -4.109 25 HB3 ASP 5 3HB ASP 5 3.715 4.384 -5.351 26 H LYS 6 H LYS 6 5.212 6.931 -4.398 27 HA LYS 6 HA LYS 6 3.862 8.117 -6.550 28 HB2 LYS 6 2HB LYS 6 4.336 10.277 -5.291 29 HB3 LYS 6 3HB LYS 6 3.471 9.027 -4.406 30 HG2 LYS 6 2HG LYS 6 5.020 9.008 -2.827 31 HG3 LYS 6 3HG LYS 6 6.290 8.707 -4.016 32 HD2 LYS 6 2HD LYS 6 6.748 10.752 -2.784 33 HD3 LYS 6 3HD LYS 6 6.409 11.118 -4.477 34 HE2 LYS 6 2HE LYS 6 4.747 12.464 -3.880 35 HE3 LYS 6 3HE LYS 6 3.960 11.148 -3.010 36 HZ1 LYS 6 1HZ LYS 6 5.938 11.860 -1.326 37 HZ2 LYS 6 2HZ LYS 6 4.341 12.405 -1.221 38 HZ3 LYS 6 3HZ LYS 6 5.509 13.354 -1.993 39 H GLN 7 H GLN 7 7.252 7.990 -5.720 40 HA GLN 7 HA GLN 7 8.132 10.078 -7.417 41 HB2 GLN 7 2HB GLN 7 9.397 7.851 -5.924 42 HB3 GLN 7 3HB GLN 7 10.311 8.504 -7.278 43 HG2 GLN 7 2HG GLN 7 10.994 9.630 -5.293 44 HG3 GLN 7 3HG GLN 7 10.073 10.761 -6.282 45 HE21 GLN 7 1HE2 GLN 7 8.984 8.186 -4.117 46 HE22 GLN 7 2HE2 GLN 7 8.072 9.213 -3.068 47 H LYS 8 H LYS 8 7.396 6.708 -7.935 48 HA LYS 8 HA LYS 8 8.702 6.436 -10.443 49 HB2 LYS 8 2HB LYS 8 8.246 4.383 -9.494 50 HB3 LYS 8 3HB LYS 8 6.660 4.881 -8.919 51 HG2 LYS 8 2HG LYS 8 7.048 4.726 -11.850 52 HG3 LYS 8 3HG LYS 8 6.990 3.206 -10.953 53 HD2 LYS 8 2HD LYS 8 4.892 4.653 -9.896 54 HD3 LYS 8 3HD LYS 8 4.852 5.071 -11.610 55 HE2 LYS 8 2HE LYS 8 4.780 2.307 -10.409 56 HE3 LYS 8 3HE LYS 8 3.464 3.140 -11.234 57 HZ1 LYS 8 1HZ LYS 8 5.278 3.219 -13.136 58 HZ2 LYS 8 2HZ LYS 8 4.235 1.901 -12.945 59 HZ3 LYS 8 3HZ LYS 8 5.815 1.821 -12.348 60 H ASN 9 H ASN 9 5.409 7.302 -9.486 61 HA ASN 9 HA ASN 9 4.395 7.428 -12.146 62 HB2 ASN 9 2HB ASN 9 2.784 7.095 -10.446 63 HB3 ASN 9 3HB ASN 9 3.393 8.444 -9.492 64 HD21 ASN 9 1HD2 ASN 9 2.849 10.542 -10.069 65 HD22 ASN 9 2HD2 ASN 9 1.553 10.889 -11.157 66 H TYR 10 H TYR 10 5.892 9.725 -9.962 67 HA TYR 10 HA TYR 10 5.254 12.063 -11.440 68 HB2 TYR 10 2HB TYR 10 5.865 12.537 -9.254 69 HB3 TYR 10 3HB TYR 10 7.202 11.392 -9.268 70 HD1 TYR 10 HD1 TYR 10 9.375 12.169 -9.546 71 HD2 TYR 10 HD2 TYR 10 6.129 14.633 -10.768 72 HE1 TYR 10 HE1 TYR 10 10.948 14.004 -10.001 73 HE2 TYR 10 HE2 TYR 10 7.693 16.475 -11.227 74 HH TYR 10 HH TYR 10 9.798 17.181 -11.088 75 H ILE 11 H ILE 11 7.995 9.841 -11.457 76 HA ILE 11 HA ILE 11 9.455 11.389 -13.404 77 HB ILE 11 HB ILE 11 9.945 8.594 -12.369 78 HG12 ILE 11 2HG1 ILE 11 10.099 10.447 -10.689 79 HG13 ILE 11 3HG1 ILE 11 11.613 9.585 -10.943 80 HG21 ILE 11 1HG2 ILE 11 12.340 9.400 -13.258 81 HG22 ILE 11 2HG2 ILE 11 11.196 8.500 -14.252 82 HG23 ILE 11 3HG2 ILE 11 11.303 10.254 -14.401 83 HD11 ILE 11 1HD1 ILE 11 11.497 12.216 -10.836 84 HD12 ILE 11 2HD1 ILE 11 12.630 11.377 -11.897 85 HD13 ILE 11 3HD1 ILE 11 11.126 12.026 -12.550 86 H ASP 12 H ASP 12 7.547 8.411 -13.377 87 HA ASP 12 HA ASP 12 8.023 7.679 -16.060 88 HB2 ASP 12 2HB ASP 12 7.084 6.170 -14.304 89 HB3 ASP 12 3HB ASP 12 5.570 7.066 -14.400 90 H LYS 13 H LYS 13 5.733 9.860 -14.561 91 HA LYS 13 HA LYS 13 4.196 10.216 -16.982 92 HB2 LYS 13 2HB LYS 13 2.787 11.607 -15.727 93 HB3 LYS 13 3HB LYS 13 3.317 10.389 -14.576 94 HG2 LYS 13 2HG LYS 13 3.691 12.184 -13.277 95 HG3 LYS 13 3HG LYS 13 5.211 12.248 -14.172 96 HD2 LYS 13 2HD LYS 13 4.505 14.412 -14.424 97 HD3 LYS 13 3HD LYS 13 3.766 13.681 -15.851 98 HE2 LYS 13 2HE LYS 13 1.803 14.431 -15.129 99 HE3 LYS 13 3HE LYS 13 1.927 13.299 -13.783 100 HZ1 LYS 13 1HZ LYS 13 1.788 16.007 -13.580 101 HZ2 LYS 13 2HZ LYS 13 3.436 15.697 -13.359 102 HZ3 LYS 13 3HZ LYS 13 2.294 14.951 -12.358 103 H GLN 14 H GLN 14 6.892 11.721 -15.400 104 HA GLN 14 HA GLN 14 6.746 14.085 -17.099 105 HB2 GLN 14 2HB GLN 14 7.438 14.015 -14.588 106 HB3 GLN 14 3HB GLN 14 8.998 13.492 -15.208 107 HG2 GLN 14 2HG GLN 14 9.435 15.687 -15.235 108 HG3 GLN 14 3HG GLN 14 8.566 15.639 -16.769 109 HE21 GLN 14 1HE2 GLN 14 5.974 15.351 -15.850 110 HE22 GLN 14 2HE2 GLN 14 5.506 16.791 -15.019 111 H LEU 15 H LEU 15 8.013 10.993 -17.253 112 HA LEU 15 HA LEU 15 10.214 11.800 -19.021 113 HB2 LEU 15 2HB LEU 15 10.637 10.235 -17.097 114 HB3 LEU 15 3HB LEU 15 9.640 9.050 -17.938 115 HG LEU 15 HG LEU 15 11.536 9.802 -19.821 116 HD11 LEU 15 1HD1 LEU 15 12.586 10.667 -17.460 117 HD12 LEU 15 2HD1 LEU 15 13.525 10.194 -18.875 118 HD13 LEU 15 3HD1 LEU 15 13.245 9.035 -17.575 119 HD21 LEU 15 1HD2 LEU 15 11.521 7.437 -17.948 120 HD22 LEU 15 2HD2 LEU 15 12.397 7.540 -19.476 121 HD23 LEU 15 3HD2 LEU 15 10.633 7.564 -19.467 122 H LEU 16 H LEU 16 7.037 10.742 -19.104 123 HA LEU 16 HA LEU 16 7.160 9.075 -21.424 124 HB2 LEU 16 2HB LEU 16 5.050 10.268 -19.735 125 HB3 LEU 16 3HB LEU 16 4.601 9.890 -21.397 126 HG LEU 16 HG LEU 16 5.909 7.789 -19.726 127 HD11 LEU 16 1HD1 LEU 16 2.945 8.026 -19.688 128 HD12 LEU 16 2HD1 LEU 16 3.887 9.002 -18.562 129 HD13 LEU 16 3HD1 LEU 16 4.033 7.244 -18.541 130 HD21 LEU 16 1HD2 LEU 16 4.065 7.914 -22.082 131 HD22 LEU 16 2HD2 LEU 16 4.183 6.449 -21.106 132 HD23 LEU 16 3HD2 LEU 16 5.614 7.086 -21.918 133 HA PRO 17 HA PRO 17 5.826 13.337 -23.401 134 HB2 PRO 17 2HB PRO 17 7.057 15.471 -22.260 135 HB3 PRO 17 3HB PRO 17 5.466 14.895 -21.751 136 HG2 PRO 17 2HG PRO 17 8.145 14.397 -20.513 137 HG3 PRO 17 3HG PRO 17 6.603 14.783 -19.726 138 HD2 PRO 17 2HD PRO 17 7.580 12.261 -19.857 139 HD3 PRO 17 3HD PRO 17 5.840 12.614 -19.873 140 H ILE 18 H ILE 18 9.049 13.051 -21.937 141 HA ILE 18 HA ILE 18 10.361 14.158 -24.252 142 HB ILE 18 HB ILE 18 12.457 13.568 -23.087 143 HG12 ILE 18 2HG1 ILE 18 10.646 12.527 -20.899 144 HG13 ILE 18 3HG1 ILE 18 11.580 11.508 -21.989 145 HG21 ILE 18 1HG2 ILE 18 10.372 15.318 -22.083 146 HG22 ILE 18 2HG2 ILE 18 11.512 14.842 -20.825 147 HG23 ILE 18 3HG2 ILE 18 12.097 15.620 -22.296 148 HD11 ILE 18 1HD1 ILE 18 13.051 11.554 -20.292 149 HD12 ILE 18 2HD1 ILE 18 13.536 13.077 -21.039 150 HD13 ILE 18 3HD1 ILE 18 12.439 13.082 -19.658 151 H VAL 19 H VAL 19 9.457 11.017 -23.109 152 HA VAL 19 HA VAL 19 11.260 9.593 -24.864 153 HB VAL 19 HB VAL 19 10.278 8.803 -22.574 154 HG11 VAL 19 1HG1 VAL 19 7.925 9.080 -23.265 155 HG12 VAL 19 2HG1 VAL 19 8.151 7.808 -24.467 156 HG13 VAL 19 3HG1 VAL 19 8.293 7.435 -22.748 157 HG21 VAL 19 1HG2 VAL 19 11.165 7.410 -24.953 158 HG22 VAL 19 2HG2 VAL 19 11.573 7.122 -23.261 159 HG23 VAL 19 3HG2 VAL 19 10.119 6.401 -23.953 160 H ASN 20 H ASN 20 7.792 10.309 -24.721 161 HA ASN 20 HA ASN 20 7.268 8.940 -27.208 162 HB2 ASN 20 2HB ASN 20 5.664 9.241 -25.187 163 HB3 ASN 20 3HB ASN 20 5.355 10.835 -25.871 164 HD21 ASN 20 1HD2 ASN 20 3.306 9.104 -25.619 165 HD22 ASN 20 2HD2 ASN 20 2.811 8.522 -27.169 166 H LYS 21 H LYS 21 8.551 11.905 -26.393 167 HA LYS 21 HA LYS 21 7.360 13.638 -28.265 168 HB2 LYS 21 2HB LYS 21 9.540 13.716 -26.408 169 HB3 LYS 21 3HB LYS 21 10.082 14.367 -27.949 170 HG2 LYS 21 2HG LYS 21 8.480 16.075 -27.919 171 HG3 LYS 21 3HG LYS 21 7.538 15.285 -26.653 172 HD2 LYS 21 2HD LYS 21 8.703 16.321 -25.065 173 HD3 LYS 21 3HD LYS 21 10.228 15.752 -25.749 174 HE2 LYS 21 2HE LYS 21 8.869 17.975 -27.156 175 HE3 LYS 21 3HE LYS 21 9.575 18.342 -25.583 176 HZ1 LYS 21 1HZ LYS 21 10.982 18.544 -27.751 177 HZ2 LYS 21 2HZ LYS 21 11.188 16.878 -27.548 178 HZ3 LYS 21 3HZ LYS 21 11.682 17.945 -26.332 179 H ALA 22 H ALA 22 10.265 11.604 -28.471 180 HA ALA 22 HA ALA 22 10.655 12.296 -31.259 181 HB1 ALA 22 1HB ALA 22 12.482 10.442 -30.958 182 HB2 ALA 22 2HB ALA 22 12.704 12.045 -30.255 183 HB3 ALA 22 3HB ALA 22 12.166 10.705 -29.243 184 H GLY 23 H GLY 23 9.485 9.581 -29.349 185 HA2 GLY 23 2HA GLY 23 7.759 8.529 -31.182 186 HA3 GLY 23 3HA GLY 23 9.301 7.792 -31.592 187 H CYS 24 H CYS 24 10.399 6.555 -29.916 188 HA CYS 24 HA CYS 24 9.479 5.877 -27.436 189 HB2 CYS 24 2HB CYS 24 7.706 4.878 -29.465 190 HB3 CYS 24 3HB CYS 24 8.468 3.525 -28.635 191 H SER 25 H SER 25 11.618 5.520 -27.031 192 HA SER 25 HA SER 25 13.197 3.729 -28.628 193 HB2 SER 25 2HB SER 25 13.763 5.780 -26.849 194 HB3 SER 25 3HB SER 25 14.272 4.332 -25.981 195 HG SER 25 HG SER 25 15.999 4.564 -27.171 196 H ARG 26 H ARG 26 14.674 2.335 -26.758 197 HA ARG 26 HA ARG 26 12.923 0.127 -26.229 198 HB2 ARG 26 2HB ARG 26 14.999 -0.927 -25.290 199 HB3 ARG 26 3HB ARG 26 15.141 -0.383 -26.957 200 HG2 ARG 26 2HG ARG 26 15.950 1.616 -24.985 201 HG3 ARG 26 3HG ARG 26 16.924 0.144 -24.968 202 HD2 ARG 26 2HD ARG 26 16.310 1.293 -27.621 203 HD3 ARG 26 3HD ARG 26 17.406 2.222 -26.599 204 HE ARG 26 HE ARG 26 18.398 -0.305 -26.489 205 HH11 ARG 26 1HH1 ARG 26 17.582 1.873 -29.079 206 HH12 ARG 26 2HH1 ARG 26 18.786 1.249 -30.158 207 HH21 ARG 26 1HH2 ARG 26 19.986 -1.136 -27.900 208 HH22 ARG 26 2HH2 ARG 26 20.152 -0.463 -29.486 209 HA PRO 27 HA PRO 27 11.811 0.994 -22.067 210 HB2 PRO 27 2HB PRO 27 11.471 -1.531 -21.130 211 HB3 PRO 27 3HB PRO 27 10.335 -0.758 -22.242 212 HG2 PRO 27 2HG PRO 27 12.524 -2.714 -22.827 213 HG3 PRO 27 3HG PRO 27 10.872 -2.660 -23.468 214 HD2 PRO 27 2HD PRO 27 13.006 -1.752 -24.865 215 HD3 PRO 27 3HD PRO 27 11.390 -1.032 -25.014 216 H GLU 28 H GLU 28 14.464 -1.212 -22.717 217 HA GLU 28 HA GLU 28 15.431 -1.470 -20.085 218 HB2 GLU 28 2HB GLU 28 16.193 -2.995 -21.772 219 HB3 GLU 28 3HB GLU 28 16.818 -1.680 -22.757 220 HG2 GLU 28 2HG GLU 28 17.899 -2.055 -20.012 221 HG3 GLU 28 3HG GLU 28 18.410 -3.153 -21.292 222 H GLU 29 H GLU 29 16.129 0.869 -22.643 223 HA GLU 29 HA GLU 29 18.129 2.248 -21.121 224 HB2 GLU 29 2HB GLU 29 16.631 3.019 -23.630 225 HB3 GLU 29 3HB GLU 29 17.942 3.961 -22.935 226 HG2 GLU 29 2HG GLU 29 18.337 1.085 -23.652 227 HG3 GLU 29 3HG GLU 29 18.454 2.352 -24.872 228 H VAL 30 H VAL 30 14.681 2.521 -21.571 229 HA VAL 30 HA VAL 30 14.283 5.139 -20.660 230 HB VAL 30 HB VAL 30 12.464 2.742 -20.396 231 HG11 VAL 30 1HG1 VAL 30 10.963 5.101 -20.541 232 HG12 VAL 30 2HG1 VAL 30 11.147 4.028 -19.152 233 HG13 VAL 30 3HG1 VAL 30 12.228 5.408 -19.350 234 HG21 VAL 30 1HG2 VAL 30 11.837 4.833 -22.345 235 HG22 VAL 30 2HG2 VAL 30 13.331 3.959 -22.682 236 HG23 VAL 30 3HG2 VAL 30 11.812 3.078 -22.516 237 H GLU 31 H GLU 31 14.645 2.100 -18.916 238 HA GLU 31 HA GLU 31 13.858 2.943 -16.376 239 HB2 GLU 31 2HB GLU 31 14.206 0.611 -16.788 240 HB3 GLU 31 3HB GLU 31 15.884 0.879 -17.238 241 HG2 GLU 31 2HG GLU 31 14.994 1.642 -14.505 242 HG3 GLU 31 3HG GLU 31 15.242 -0.062 -14.880 243 H GLU 32 H GLU 32 16.950 3.247 -18.040 244 HA GLU 32 HA GLU 32 18.404 4.226 -15.806 245 HB2 GLU 32 2HB GLU 32 18.951 3.565 -18.506 246 HB3 GLU 32 3HB GLU 32 19.479 5.225 -18.266 247 HG2 GLU 32 2HG GLU 32 20.388 3.837 -16.025 248 HG3 GLU 32 3HG GLU 32 20.694 2.771 -17.395 249 H ARG 33 H ARG 33 16.499 5.747 -18.335 250 HA ARG 33 HA ARG 33 17.291 8.406 -17.915 251 HB2 ARG 33 2HB ARG 33 14.602 7.377 -18.841 252 HB3 ARG 33 3HB ARG 33 15.201 9.018 -19.043 253 HG2 ARG 33 2HG ARG 33 17.137 7.946 -20.335 254 HG3 ARG 33 3HG ARG 33 16.116 6.508 -20.394 255 HD2 ARG 33 2HD ARG 33 14.526 7.531 -21.722 256 HD3 ARG 33 3HD ARG 33 14.992 9.152 -21.208 257 HE ARG 33 HE ARG 33 16.081 7.655 -23.392 258 HH11 ARG 33 1HH1 ARG 33 16.759 10.119 -21.028 259 HH12 ARG 33 2HH1 ARG 33 17.997 10.873 -21.978 260 HH21 ARG 33 1HH2 ARG 33 17.708 8.639 -24.652 261 HH22 ARG 33 2HH2 ARG 33 18.535 10.031 -24.039 262 H ILE 34 H ILE 34 14.967 6.371 -16.264 263 HA ILE 34 HA ILE 34 13.558 8.340 -14.856 264 HB ILE 34 HB ILE 34 14.203 5.548 -13.903 265 HG12 ILE 34 2HG1 ILE 34 11.914 6.575 -15.595 266 HG13 ILE 34 3HG1 ILE 34 13.190 5.480 -16.117 267 HG21 ILE 34 1HG2 ILE 34 11.632 6.730 -13.191 268 HG22 ILE 34 2HG2 ILE 34 12.803 5.873 -12.191 269 HG23 ILE 34 3HG2 ILE 34 13.016 7.592 -12.519 270 HD11 ILE 34 1HD1 ILE 34 11.981 4.328 -13.846 271 HD12 ILE 34 2HD1 ILE 34 10.690 4.870 -14.919 272 HD13 ILE 34 3HD1 ILE 34 11.932 3.771 -15.518 273 H ARG 35 H ARG 35 16.539 6.604 -14.057 274 HA ARG 35 HA ARG 35 16.865 7.624 -11.459 275 HB2 ARG 35 2HB ARG 35 18.573 6.265 -13.453 276 HB3 ARG 35 3HB ARG 35 19.424 7.215 -12.243 277 HG2 ARG 35 2HG ARG 35 17.321 5.425 -11.221 278 HG3 ARG 35 3HG ARG 35 18.741 4.641 -11.916 279 HD2 ARG 35 2HD ARG 35 19.508 6.839 -10.217 280 HD3 ARG 35 3HD ARG 35 18.475 5.707 -9.346 281 HE ARG 35 HE ARG 35 20.519 4.357 -10.793 282 HH11 ARG 35 1HH1 ARG 35 19.904 6.196 -7.902 283 HH12 ARG 35 2HH1 ARG 35 21.202 5.474 -7.010 284 HH21 ARG 35 1HH2 ARG 35 22.231 3.399 -9.629 285 HH22 ARG 35 2HH2 ARG 35 22.526 3.884 -7.994 286 H ARG 36 H ARG 36 17.756 8.889 -14.614 287 HA ARG 36 HA ARG 36 19.467 10.948 -13.775 288 HB2 ARG 36 2HB ARG 36 19.409 10.362 -16.091 289 HB3 ARG 36 3HB ARG 36 17.683 10.683 -16.193 290 HG2 ARG 36 2HG ARG 36 18.096 13.062 -15.848 291 HG3 ARG 36 3HG ARG 36 19.828 12.744 -15.726 292 HD2 ARG 36 2HD ARG 36 19.975 12.975 -17.930 293 HD3 ARG 36 3HD ARG 36 18.983 11.528 -18.107 294 HE ARG 36 HE ARG 36 17.322 13.755 -17.658 295 HH11 ARG 36 1HH1 ARG 36 19.393 12.377 -20.094 296 HH12 ARG 36 2HH1 ARG 36 18.520 13.077 -21.418 297 HH21 ARG 36 1HH2 ARG 36 16.165 14.682 -19.392 298 HH22 ARG 36 2HH2 ARG 36 16.685 14.389 -21.017 299 H ALA 37 H ALA 37 15.963 10.950 -14.365 300 HA ALA 37 HA ALA 37 15.558 13.675 -13.735 301 HB1 ALA 37 1HB ALA 37 13.143 12.829 -13.330 302 HB2 ALA 37 2HB ALA 37 13.828 12.736 -14.953 303 HB3 ALA 37 3HB ALA 37 13.760 11.294 -13.940 304 H LEU 38 H LEU 38 15.741 10.778 -11.789 305 HA LEU 38 HA LEU 38 14.540 11.735 -9.441 306 HB2 LEU 38 2HB LEU 38 14.849 9.538 -9.148 307 HB3 LEU 38 3HB LEU 38 16.248 9.498 -10.219 308 HG LEU 38 HG LEU 38 17.579 10.457 -8.280 309 HD11 LEU 38 1HD1 LEU 38 16.464 11.095 -6.473 310 HD12 LEU 38 2HD1 LEU 38 16.061 9.404 -6.175 311 HD13 LEU 38 3HD1 LEU 38 14.961 10.421 -7.105 312 HD21 LEU 38 1HD2 LEU 38 17.367 8.112 -7.053 313 HD22 LEU 38 2HD2 LEU 38 18.126 8.278 -8.636 314 HD23 LEU 38 3HD2 LEU 38 16.457 7.720 -8.512 315 H LYS 39 H LYS 39 17.681 12.276 -10.822 316 HA LYS 39 HA LYS 39 19.136 13.072 -8.591 317 HB2 LYS 39 2HB LYS 39 20.674 13.989 -10.070 318 HB3 LYS 39 3HB LYS 39 19.852 12.803 -11.075 319 HG2 LYS 39 2HG LYS 39 19.624 14.473 -12.532 320 HG3 LYS 39 3HG LYS 39 18.329 15.033 -11.472 321 HD2 LYS 39 2HD LYS 39 20.916 15.899 -10.517 322 HD3 LYS 39 3HD LYS 39 20.640 16.422 -12.180 323 HE2 LYS 39 2HE LYS 39 18.239 16.984 -11.056 324 HE3 LYS 39 3HE LYS 39 19.317 17.248 -9.686 325 HZ1 LYS 39 1HZ LYS 39 20.372 18.972 -10.729 326 HZ2 LYS 39 2HZ LYS 39 18.809 19.164 -11.347 327 HZ3 LYS 39 3HZ LYS 39 20.004 18.424 -12.287 328 H LYS 40 H LYS 40 16.537 14.650 -10.226 329 HA LYS 40 HA LYS 40 17.005 17.316 -9.521 330 HB2 LYS 40 2HB LYS 40 15.270 16.551 -11.125 331 HB3 LYS 40 3HB LYS 40 14.331 15.927 -9.775 332 HG2 LYS 40 2HG LYS 40 14.198 18.219 -8.859 333 HG3 LYS 40 3HG LYS 40 15.040 18.807 -10.295 334 HD2 LYS 40 2HD LYS 40 13.248 18.116 -11.716 335 HD3 LYS 40 3HD LYS 40 12.456 17.258 -10.392 336 HE2 LYS 40 2HE LYS 40 12.897 20.239 -10.537 337 HE3 LYS 40 3HE LYS 40 11.379 19.413 -10.884 338 HZ1 LYS 40 1HZ LYS 40 11.738 18.468 -8.503 339 HZ2 LYS 40 2HZ LYS 40 11.083 20.013 -8.712 340 HZ3 LYS 40 3HZ LYS 40 12.715 19.835 -8.305 341 H MET 41 H MET 41 16.088 14.620 -7.605 342 HA MET 41 HA MET 41 15.181 16.341 -5.414 343 HB2 MET 41 2HB MET 41 15.238 13.350 -5.265 344 HB3 MET 41 3HB MET 41 14.152 14.481 -4.468 345 HG2 MET 41 2HG MET 41 14.147 13.747 -7.386 346 HG3 MET 41 3HG MET 41 12.976 13.244 -6.170 347 HE1 MET 41 1HE MET 41 10.892 16.016 -5.301 348 HE2 MET 41 2HE MET 41 12.105 14.966 -4.568 349 HE3 MET 41 3HE MET 41 12.430 16.689 -4.761 350 H GLY 42 H GLY 42 17.866 14.460 -6.468 351 HA2 GLY 42 2HA GLY 42 19.976 14.235 -5.579 352 HA3 GLY 42 3HA GLY 42 19.518 15.414 -4.358 353 H ASP 43 H ASP 43 17.219 13.089 -4.219 354 HA ASP 43 HA ASP 43 18.685 11.610 -2.133 355 HB2 ASP 43 2HB ASP 43 16.053 12.885 -2.159 356 HB3 ASP 43 3HB ASP 43 16.004 11.216 -1.599 357 H THR 44 H THR 44 19.410 10.087 -3.718 358 HA THR 44 HA THR 44 17.398 8.470 -5.060 359 HB THR 44 HB THR 44 19.155 7.452 -6.269 360 HG1 THR 44 HG1 THR 44 21.424 8.125 -5.510 361 HG21 THR 44 1HG2 THR 44 18.855 10.195 -6.246 362 HG22 THR 44 2HG2 THR 44 19.721 9.260 -7.466 363 HG23 THR 44 3HG2 THR 44 20.600 9.979 -6.117 364 H SER 45 H SER 45 18.148 8.537 -2.027 365 HA SER 45 HA SER 45 19.077 5.906 -1.443 366 HB2 SER 45 2HB SER 45 19.117 6.608 0.713 367 HB3 SER 45 3HB SER 45 18.848 8.203 0.010 368 HG SER 45 HG SER 45 17.123 6.574 1.435 369 H CYS 46 H CYS 46 15.885 7.439 -1.507 370 HA CYS 46 HA CYS 46 14.587 4.912 -0.875 371 HB2 CYS 46 2HB CYS 46 13.813 7.103 0.092 372 HB3 CYS 46 3HB CYS 46 13.295 7.565 -1.526 373 H PHE 47 H PHE 47 15.363 6.863 -3.612 374 HA PHE 47 HA PHE 47 13.387 5.784 -5.376 375 HB2 PHE 47 2HB PHE 47 14.811 7.996 -5.543 376 HB3 PHE 47 3HB PHE 47 15.952 6.949 -6.381 377 HD1 PHE 47 HD1 PHE 47 13.121 9.015 -6.730 378 HD2 PHE 47 HD2 PHE 47 14.967 5.527 -8.325 379 HE1 PHE 47 HE1 PHE 47 11.835 9.289 -8.810 380 HE2 PHE 47 HE2 PHE 47 13.685 5.796 -10.407 381 HZ PHE 47 HZ PHE 47 12.117 7.679 -10.653 382 H ASP 48 H ASP 48 16.651 4.936 -4.462 383 HA ASP 48 HA ASP 48 17.372 3.244 -6.537 384 HB2 ASP 48 2HB ASP 48 19.001 3.792 -4.883 385 HB3 ASP 48 3HB ASP 48 18.006 3.131 -3.588 386 H GLU 49 H GLU 49 15.252 2.664 -3.797 387 HA GLU 49 HA GLU 49 15.016 -0.153 -4.260 388 HB2 GLU 49 2HB GLU 49 13.494 1.807 -2.553 389 HB3 GLU 49 3HB GLU 49 13.012 0.121 -2.685 390 HG2 GLU 49 2HG GLU 49 15.682 -0.072 -2.116 391 HG3 GLU 49 3HG GLU 49 15.188 1.337 -1.180 392 H ILE 50 H ILE 50 12.998 2.680 -4.951 393 HA ILE 50 HA ILE 50 10.884 1.215 -6.156 394 HB ILE 50 HB ILE 50 9.907 3.249 -6.687 395 HG12 ILE 50 2HG1 ILE 50 11.610 5.350 -6.605 396 HG13 ILE 50 3HG1 ILE 50 12.698 4.098 -7.193 397 HG21 ILE 50 1HG2 ILE 50 11.593 4.478 -4.606 398 HG22 ILE 50 2HG2 ILE 50 9.843 4.277 -4.680 399 HG23 ILE 50 3HG2 ILE 50 10.866 2.925 -4.194 400 HD11 ILE 50 1HD1 ILE 50 10.091 4.251 -8.541 401 HD12 ILE 50 2HD1 ILE 50 11.170 5.625 -8.782 402 HD13 ILE 50 3HD1 ILE 50 11.705 3.998 -9.203 403 H LEU 51 H LEU 51 13.908 2.489 -7.316 404 HA LEU 51 HA LEU 51 13.426 2.621 -10.051 405 HB2 LEU 51 2HB LEU 51 15.633 2.975 -10.235 406 HB3 LEU 51 3HB LEU 51 15.568 3.055 -8.476 407 HG LEU 51 HG LEU 51 16.080 0.505 -8.608 408 HD11 LEU 51 1HD1 LEU 51 17.657 1.047 -11.007 409 HD12 LEU 51 2HD1 LEU 51 15.918 0.975 -11.293 410 HD13 LEU 51 3HD1 LEU 51 16.746 -0.391 -10.544 411 HD21 LEU 51 1HD2 LEU 51 17.955 1.280 -7.716 412 HD22 LEU 51 2HD2 LEU 51 17.678 2.859 -8.451 413 HD23 LEU 51 3HD2 LEU 51 18.575 1.620 -9.331 414 H LYS 52 H LYS 52 14.026 -0.139 -7.986 415 HA LYS 52 HA LYS 52 14.503 -2.011 -10.078 416 HB2 LYS 52 2HB LYS 52 14.334 -2.038 -7.193 417 HB3 LYS 52 3HB LYS 52 13.469 -3.409 -7.874 418 HG2 LYS 52 2HG LYS 52 15.647 -4.178 -7.509 419 HG3 LYS 52 3HG LYS 52 15.561 -3.858 -9.242 420 HD2 LYS 52 2HD LYS 52 16.408 -1.455 -8.330 421 HD3 LYS 52 3HD LYS 52 17.147 -2.532 -7.144 422 HE2 LYS 52 2HE LYS 52 17.546 -3.712 -9.670 423 HE3 LYS 52 3HE LYS 52 17.931 -2.001 -9.848 424 HZ1 LYS 52 1HZ LYS 52 19.821 -3.453 -9.152 425 HZ2 LYS 52 2HZ LYS 52 19.030 -3.693 -7.676 426 HZ3 LYS 52 3HZ LYS 52 19.527 -2.140 -8.126 427 H GLY 53 H GLY 53 11.638 -1.148 -8.165 428 HA2 GLY 53 2HA GLY 53 9.948 -3.032 -9.526 429 HA3 GLY 53 3HA GLY 53 9.428 -1.785 -8.402 430 H LEU 54 H LEU 54 11.105 0.071 -10.284 431 HA LEU 54 HA LEU 54 8.833 0.942 -11.809 432 HB2 LEU 54 2HB LEU 54 11.160 2.114 -10.817 433 HB3 LEU 54 3HB LEU 54 11.331 2.178 -12.570 434 HG LEU 54 HG LEU 54 9.060 3.337 -10.956 435 HD11 LEU 54 1HD1 LEU 54 11.617 4.341 -11.482 436 HD12 LEU 54 2HD1 LEU 54 10.223 5.222 -10.857 437 HD13 LEU 54 3HD1 LEU 54 10.533 5.180 -12.592 438 HD21 LEU 54 1HD2 LEU 54 9.545 3.119 -13.910 439 HD22 LEU 54 2HD2 LEU 54 8.528 4.387 -13.225 440 HD23 LEU 54 3HD2 LEU 54 8.102 2.691 -12.992 441 H LYS 55 H LYS 55 9.718 -1.673 -12.510 442 HA LYS 55 HA LYS 55 10.964 -1.330 -15.137 443 HB2 LYS 55 2HB LYS 55 11.381 -3.663 -15.128 444 HB3 LYS 55 3HB LYS 55 11.745 -3.103 -13.501 445 HG2 LYS 55 2HG LYS 55 9.115 -3.792 -13.282 446 HG3 LYS 55 3HG LYS 55 9.718 -4.987 -14.433 447 HD2 LYS 55 2HD LYS 55 11.467 -4.513 -12.122 448 HD3 LYS 55 3HD LYS 55 9.895 -5.211 -11.726 449 HE2 LYS 55 2HE LYS 55 10.451 -6.811 -13.727 450 HE3 LYS 55 3HE LYS 55 12.112 -6.326 -13.386 451 HZ1 LYS 55 1HZ LYS 55 12.142 -7.790 -11.746 452 HZ2 LYS 55 2HZ LYS 55 10.527 -8.207 -12.030 453 HZ3 LYS 55 3HZ LYS 55 10.901 -6.954 -10.956 454 H GLU 56 H GLU 56 8.164 -0.547 -14.457 455 HA GLU 56 HA GLU 56 6.735 -2.309 -16.335 456 HB2 GLU 56 2HB GLU 56 5.726 -0.599 -14.065 457 HB3 GLU 56 3HB GLU 56 4.660 -1.280 -15.286 458 HG2 GLU 56 2HG GLU 56 4.709 -3.309 -14.367 459 HG3 GLU 56 3HG GLU 56 6.448 -3.242 -14.084 460 H ILE 57 H ILE 57 8.212 -0.719 -17.726 461 HA ILE 57 HA ILE 57 7.014 1.866 -18.191 462 HB ILE 57 HB ILE 57 9.446 1.531 -18.445 463 HG12 ILE 57 2HG1 ILE 57 9.658 2.671 -20.661 464 HG13 ILE 57 3HG1 ILE 57 7.956 2.331 -20.954 465 HG21 ILE 57 1HG2 ILE 57 9.050 -0.805 -19.493 466 HG22 ILE 57 2HG2 ILE 57 8.942 0.083 -21.012 467 HG23 ILE 57 3HG2 ILE 57 10.415 0.166 -20.045 468 HD11 ILE 57 1HD1 ILE 57 7.250 3.925 -19.509 469 HD12 ILE 57 2HD1 ILE 57 8.653 3.752 -18.454 470 HD13 ILE 57 3HD1 ILE 57 8.795 4.637 -19.972 471 H LYS 58 H LYS 58 5.533 2.381 -19.678 472 HA LYS 58 HA LYS 58 4.881 0.398 -21.753 473 HB2 LYS 58 2HB LYS 58 2.466 1.287 -21.455 474 HB3 LYS 58 3HB LYS 58 3.084 0.111 -20.302 475 HG2 LYS 58 2HG LYS 58 3.245 1.656 -18.604 476 HG3 LYS 58 3HG LYS 58 3.347 3.024 -19.716 477 HD2 LYS 58 2HD LYS 58 1.194 3.318 -19.083 478 HD3 LYS 58 3HD LYS 58 0.898 2.116 -20.341 479 HE2 LYS 58 2HE LYS 58 -0.310 1.366 -18.468 480 HE3 LYS 58 3HE LYS 58 1.142 0.367 -18.515 481 HZ1 LYS 58 1HZ LYS 58 0.227 2.007 -16.435 482 HZ2 LYS 58 2HZ LYS 58 1.701 2.632 -16.980 483 HZ3 LYS 58 3HZ LYS 58 1.603 1.023 -16.468 484 H CYS 59 H CYS 59 6.603 2.392 -22.331 485 HA CYS 59 HA CYS 59 5.722 4.865 -23.100 486 HB2 CYS 59 2HB CYS 59 8.048 4.262 -23.306 487 HB3 CYS 59 3HB CYS 59 7.671 3.040 -24.515 488 H GLY 60 H GLY 60 5.188 1.791 -24.715 489 HA2 GLY 60 2HA GLY 60 2.933 2.813 -26.131 490 HA3 GLY 60 3HA GLY 60 4.311 2.607 -27.201 491 H GLY 61 H GLY 61 2.015 0.963 -25.119 492 HA2 GLY 61 2HA GLY 61 1.135 -1.161 -25.310 493 HA3 GLY 61 3HA GLY 61 2.062 -1.360 -26.790 494 H SER 62 H SER 62 2.358 -3.564 -25.973 495 HA SER 62 HA SER 62 4.184 -3.834 -23.716 496 HB2 SER 62 2HB SER 62 2.296 -5.387 -23.835 497 HB3 SER 62 3HB SER 62 2.829 -5.935 -25.424 498 HG SER 62 HG SER 62 4.537 -6.087 -23.187 499 H TRP 63 H TRP 63 5.329 -2.497 -25.836 500 HA TRP 63 HA TRP 63 6.819 -4.304 -27.501 501 HB2 TRP 63 2HB TRP 63 7.445 -2.455 -28.655 502 HB3 TRP 63 3HB TRP 63 6.136 -1.696 -27.753 503 HD1 TRP 63 HD1 TRP 63 9.510 -0.964 -28.675 504 HE1 TRP 63 HE1 TRP 63 10.652 0.645 -27.023 505 HE3 TRP 63 HE3 TRP 63 6.252 -1.376 -24.757 506 HZ2 TRP 63 HZ2 TRP 63 10.229 1.611 -24.404 507 HZ3 TRP 63 HZ3 TRP 63 6.693 -0.077 -22.714 508 HH2 TRP 63 HH2 TRP 63 8.642 1.385 -22.544 509 H LEU 64 H LEU 64 9.216 -4.278 -27.555 510 HA LEU 64 HA LEU 64 10.372 -4.004 -24.861 511 HB2 LEU 64 2HB LEU 64 11.126 -6.155 -26.822 512 HB3 LEU 64 3HB LEU 64 11.603 -6.018 -25.131 513 HG LEU 64 HG LEU 64 8.741 -6.445 -25.945 514 HD11 LEU 64 1HD1 LEU 64 10.864 -8.523 -25.446 515 HD12 LEU 64 2HD1 LEU 64 9.952 -8.267 -26.933 516 HD13 LEU 64 3HD1 LEU 64 9.131 -8.849 -25.485 517 HD21 LEU 64 1HD2 LEU 64 8.742 -7.502 -23.637 518 HD22 LEU 64 2HD2 LEU 64 8.913 -5.748 -23.704 519 HD23 LEU 64 3HD2 LEU 64 10.327 -6.762 -23.412 520 H GLU 65 H GLU 65 12.975 -4.646 -25.429 521 HA GLU 65 HA GLU 65 13.853 -2.257 -26.771 522 HB2 GLU 65 2HB GLU 65 16.135 -3.083 -26.161 523 HB3 GLU 65 3HB GLU 65 15.043 -2.902 -24.796 524 HG2 GLU 65 2HG GLU 65 15.420 -4.997 -24.216 525 HG3 GLU 65 3HG GLU 65 14.765 -5.545 -25.758 526 H HIS 66 H HIS 66 12.789 -3.079 -28.828 527 HA HIS 66 HA HIS 66 14.795 -3.808 -30.670 528 HB2 HIS 66 2HB HIS 66 14.586 -6.046 -29.829 529 HB3 HIS 66 3HB HIS 66 12.829 -5.973 -29.912 530 HD1 HIS 66 HD1 HIS 66 15.662 -5.540 -32.430 531 HD2 HIS 66 HD2 HIS 66 11.937 -7.340 -32.053 532 HE1 HIS 66 HE1 HIS 66 15.258 -6.713 -34.617 Start of MODEL 11 1 H1 ALA 1 H ALA 1 3.530 -2.813 -3.185 2 HA ALA 1 HA ALA 1 2.259 -0.289 -2.377 3 HB1 ALA 1 1HB ALA 1 2.932 -2.743 -0.761 4 HB2 ALA 1 2HB ALA 1 2.219 -1.268 -0.107 5 HB3 ALA 1 3HB ALA 1 1.329 -2.229 -1.288 6 H SER 2 H SER 2 4.706 0.037 -3.538 7 HA SER 2 HA SER 2 6.870 -0.031 -1.698 8 HB2 SER 2 2HB SER 2 7.047 1.989 -3.823 9 HB3 SER 2 3HB SER 2 8.115 0.633 -3.464 10 HG SER 2 HG SER 2 6.912 -0.668 -4.709 11 HA PRO 3 HA PRO 3 6.153 3.566 0.722 12 HB2 PRO 3 2HB PRO 3 8.709 4.243 1.335 13 HB3 PRO 3 3HB PRO 3 7.888 2.850 2.048 14 HG2 PRO 3 2HG PRO 3 9.835 2.942 -0.224 15 HG3 PRO 3 3HG PRO 3 9.745 1.797 1.127 16 HD2 PRO 3 2HD PRO 3 8.799 1.213 -1.342 17 HD3 PRO 3 3HD PRO 3 8.063 0.569 0.140 18 H CYS 4 H CYS 4 8.453 3.766 -1.944 19 HA CYS 4 HA CYS 4 7.827 6.636 -2.196 20 HB2 CYS 4 2HB CYS 4 10.348 5.106 -2.808 21 HB3 CYS 4 3HB CYS 4 10.032 6.685 -3.519 22 H ASP 5 H ASP 5 6.206 4.541 -3.259 23 HA ASP 5 HA ASP 5 6.741 4.025 -5.980 24 HB2 ASP 5 2HB ASP 5 5.156 2.616 -4.946 25 HB3 ASP 5 3HB ASP 5 4.223 3.977 -4.329 26 H LYS 6 H LYS 6 5.257 6.716 -4.326 27 HA LYS 6 HA LYS 6 3.949 7.915 -6.504 28 HB2 LYS 6 2HB LYS 6 4.238 10.042 -5.140 29 HB3 LYS 6 3HB LYS 6 3.397 8.714 -4.351 30 HG2 LYS 6 2HG LYS 6 4.859 8.713 -2.691 31 HG3 LYS 6 3HG LYS 6 6.203 8.523 -3.819 32 HD2 LYS 6 2HD LYS 6 6.500 10.537 -2.501 33 HD3 LYS 6 3HD LYS 6 6.206 10.959 -4.190 34 HE2 LYS 6 2HE LYS 6 4.960 12.392 -2.614 35 HE3 LYS 6 3HE LYS 6 3.903 11.489 -3.699 36 HZ1 LYS 6 1HZ LYS 6 3.052 10.288 -2.015 37 HZ2 LYS 6 2HZ LYS 6 3.546 11.602 -1.073 38 HZ3 LYS 6 3HZ LYS 6 4.510 10.215 -1.159 39 H GLN 7 H GLN 7 7.291 7.914 -5.497 40 HA GLN 7 HA GLN 7 8.144 10.111 -7.077 41 HB2 GLN 7 2HB GLN 7 9.447 7.926 -5.556 42 HB3 GLN 7 3HB GLN 7 10.400 8.660 -6.839 43 HG2 GLN 7 2HG GLN 7 10.904 9.786 -4.807 44 HG3 GLN 7 3HG GLN 7 9.957 10.880 -5.814 45 HE21 GLN 7 1HE2 GLN 7 8.906 8.176 -3.797 46 HE22 GLN 7 2HE2 GLN 7 7.892 9.113 -2.759 47 H LYS 8 H LYS 8 7.698 6.700 -7.702 48 HA LYS 8 HA LYS 8 9.136 6.618 -10.155 49 HB2 LYS 8 2HB LYS 8 8.609 4.419 -10.173 50 HB3 LYS 8 3HB LYS 8 8.105 4.725 -8.516 51 HG2 LYS 8 2HG LYS 8 5.799 5.138 -9.374 52 HG3 LYS 8 3HG LYS 8 6.358 4.610 -10.963 53 HD2 LYS 8 2HD LYS 8 7.198 2.518 -9.603 54 HD3 LYS 8 3HD LYS 8 5.950 3.034 -8.465 55 HE2 LYS 8 2HE LYS 8 5.516 2.486 -11.400 56 HE3 LYS 8 3HE LYS 8 5.132 1.369 -10.092 57 HZ1 LYS 8 1HZ LYS 8 3.660 3.634 -11.042 58 HZ2 LYS 8 2HZ LYS 8 3.886 3.676 -9.367 59 HZ3 LYS 8 3HZ LYS 8 3.144 2.337 -10.086 60 H ASN 9 H ASN 9 5.779 7.249 -9.296 61 HA ASN 9 HA ASN 9 4.822 7.279 -11.987 62 HB2 ASN 9 2HB ASN 9 3.307 6.825 -10.126 63 HB3 ASN 9 3HB ASN 9 3.620 8.423 -9.456 64 HD21 ASN 9 1HD2 ASN 9 1.299 8.657 -9.567 65 HD22 ASN 9 2HD2 ASN 9 0.566 9.148 -11.053 66 H TYR 10 H TYR 10 5.937 9.730 -9.709 67 HA TYR 10 HA TYR 10 5.206 12.003 -11.182 68 HB2 TYR 10 2HB TYR 10 5.818 12.490 -8.999 69 HB3 TYR 10 3HB TYR 10 7.233 11.444 -9.051 70 HD1 TYR 10 HD1 TYR 10 9.343 12.370 -9.380 71 HD2 TYR 10 HD2 TYR 10 5.902 14.630 -10.454 72 HE1 TYR 10 HE1 TYR 10 10.772 14.320 -9.832 73 HE2 TYR 10 HE2 TYR 10 7.321 16.586 -10.910 74 HH TYR 10 HH TYR 10 9.784 17.330 -9.975 75 H ILE 11 H ILE 11 8.121 10.008 -11.253 76 HA ILE 11 HA ILE 11 9.413 11.679 -13.217 77 HB ILE 11 HB ILE 11 10.171 8.911 -12.274 78 HG12 ILE 11 2HG1 ILE 11 10.095 10.630 -10.467 79 HG13 ILE 11 3HG1 ILE 11 11.711 9.998 -10.760 80 HG21 ILE 11 1HG2 ILE 11 11.397 9.128 -14.188 81 HG22 ILE 11 2HG2 ILE 11 11.434 10.888 -14.098 82 HG23 ILE 11 3HG2 ILE 11 12.480 9.929 -13.050 83 HD11 ILE 11 1HD1 ILE 11 12.430 11.969 -11.754 84 HD12 ILE 11 2HD1 ILE 11 10.785 12.531 -12.051 85 HD13 ILE 11 3HD1 ILE 11 11.428 12.515 -10.409 86 H ASP 12 H ASP 12 7.821 8.514 -13.175 87 HA ASP 12 HA ASP 12 8.298 7.850 -15.867 88 HB2 ASP 12 2HB ASP 12 7.511 6.277 -14.069 89 HB3 ASP 12 3HB ASP 12 5.915 7.008 -14.210 90 H LYS 13 H LYS 13 5.859 9.824 -14.325 91 HA LYS 13 HA LYS 13 4.248 10.040 -16.715 92 HB2 LYS 13 2HB LYS 13 2.742 11.292 -15.431 93 HB3 LYS 13 3HB LYS 13 3.409 10.135 -14.287 94 HG2 LYS 13 2HG LYS 13 4.948 11.857 -13.461 95 HG3 LYS 13 3HG LYS 13 4.239 13.015 -14.589 96 HD2 LYS 13 2HD LYS 13 2.391 11.567 -12.775 97 HD3 LYS 13 3HD LYS 13 3.430 12.801 -12.059 98 HE2 LYS 13 2HE LYS 13 2.554 14.485 -13.489 99 HE3 LYS 13 3HE LYS 13 1.725 13.294 -14.491 100 HZ1 LYS 13 1HZ LYS 13 1.044 13.446 -11.644 101 HZ2 LYS 13 2HZ LYS 13 0.074 13.017 -12.961 102 HZ3 LYS 13 3HZ LYS 13 0.444 14.643 -12.678 103 H GLN 14 H GLN 14 6.826 11.780 -15.176 104 HA GLN 14 HA GLN 14 6.441 14.120 -16.869 105 HB2 GLN 14 2HB GLN 14 8.247 13.469 -14.563 106 HB3 GLN 14 3HB GLN 14 8.609 14.831 -15.615 107 HG2 GLN 14 2HG GLN 14 5.968 14.489 -14.225 108 HG3 GLN 14 3HG GLN 14 7.329 15.361 -13.520 109 HE21 GLN 14 1HE2 GLN 14 4.951 15.330 -16.067 110 HE22 GLN 14 2HE2 GLN 14 5.106 16.994 -16.504 111 H LEU 15 H LEU 15 8.007 11.156 -17.018 112 HA LEU 15 HA LEU 15 10.061 12.163 -18.862 113 HB2 LEU 15 2HB LEU 15 10.593 10.638 -16.856 114 HB3 LEU 15 3HB LEU 15 9.887 9.352 -17.833 115 HG LEU 15 HG LEU 15 11.882 10.808 -19.329 116 HD11 LEU 15 1HD1 LEU 15 12.505 10.172 -16.543 117 HD12 LEU 15 2HD1 LEU 15 13.334 11.234 -17.682 118 HD13 LEU 15 3HD1 LEU 15 13.640 9.497 -17.713 119 HD21 LEU 15 1HD2 LEU 15 12.249 8.763 -20.158 120 HD22 LEU 15 2HD2 LEU 15 10.813 8.290 -19.250 121 HD23 LEU 15 3HD2 LEU 15 12.416 8.041 -18.558 122 H LEU 16 H LEU 16 7.023 10.764 -18.830 123 HA LEU 16 HA LEU 16 7.267 9.046 -21.101 124 HB2 LEU 16 2HB LEU 16 5.085 10.066 -19.392 125 HB3 LEU 16 3HB LEU 16 4.637 9.602 -21.032 126 HG LEU 16 HG LEU 16 6.165 7.707 -19.287 127 HD11 LEU 16 1HD1 LEU 16 4.005 8.682 -18.201 128 HD12 LEU 16 2HD1 LEU 16 4.294 6.942 -18.191 129 HD13 LEU 16 3HD1 LEU 16 3.184 7.644 -19.368 130 HD21 LEU 16 1HD2 LEU 16 4.225 6.435 -20.850 131 HD22 LEU 16 2HD2 LEU 16 5.968 6.467 -21.119 132 HD23 LEU 16 3HD2 LEU 16 4.935 7.674 -21.886 133 HA PRO 17 HA PRO 17 5.452 13.077 -23.177 134 HB2 PRO 17 2HB PRO 17 6.471 15.366 -22.131 135 HB3 PRO 17 3HB PRO 17 4.960 14.642 -21.569 136 HG2 PRO 17 2HG PRO 17 7.701 14.471 -20.377 137 HG3 PRO 17 3HG PRO 17 6.142 14.719 -19.568 138 HD2 PRO 17 2HD PRO 17 7.379 12.311 -19.642 139 HD3 PRO 17 3HD PRO 17 5.611 12.476 -19.630 140 H ILE 18 H ILE 18 8.716 13.130 -21.789 141 HA ILE 18 HA ILE 18 9.862 14.315 -24.157 142 HB ILE 18 HB ILE 18 12.014 14.043 -23.040 143 HG12 ILE 18 2HG1 ILE 18 10.458 12.666 -20.840 144 HG13 ILE 18 3HG1 ILE 18 11.518 11.849 -21.983 145 HG21 ILE 18 1HG2 ILE 18 10.568 15.001 -20.719 146 HG22 ILE 18 2HG2 ILE 18 11.622 15.872 -21.832 147 HG23 ILE 18 3HG2 ILE 18 9.916 15.653 -22.222 148 HD11 ILE 18 1HD1 ILE 18 13.133 12.135 -20.495 149 HD12 ILE 18 2HD1 ILE 18 13.097 13.849 -20.908 150 HD13 ILE 18 3HD1 ILE 18 12.156 13.251 -19.543 151 H VAL 19 H VAL 19 9.109 11.164 -23.076 152 HA VAL 19 HA VAL 19 11.110 9.799 -24.640 153 HB VAL 19 HB VAL 19 9.753 9.007 -22.486 154 HG11 VAL 19 1HG1 VAL 19 7.592 9.047 -23.697 155 HG12 VAL 19 2HG1 VAL 19 8.197 7.770 -24.754 156 HG13 VAL 19 3HG1 VAL 19 7.986 7.463 -23.029 157 HG21 VAL 19 1HG2 VAL 19 11.442 7.584 -22.940 158 HG22 VAL 19 2HG2 VAL 19 10.151 6.579 -23.598 159 HG23 VAL 19 3HG2 VAL 19 11.120 7.586 -24.674 160 H ASN 20 H ASN 20 7.649 10.489 -24.917 161 HA ASN 20 HA ASN 20 7.438 9.117 -27.450 162 HB2 ASN 20 2HB ASN 20 5.595 9.365 -25.657 163 HB3 ASN 20 3HB ASN 20 5.370 10.985 -26.311 164 HD21 ASN 20 1HD2 ASN 20 3.311 9.240 -26.368 165 HD22 ASN 20 2HD2 ASN 20 3.002 8.725 -27.988 166 H LYS 21 H LYS 21 8.581 12.093 -26.476 167 HA LYS 21 HA LYS 21 7.608 13.815 -28.482 168 HB2 LYS 21 2HB LYS 21 8.661 14.776 -26.569 169 HB3 LYS 21 3HB LYS 21 10.133 13.850 -26.831 170 HG2 LYS 21 2HG LYS 21 10.939 15.309 -28.335 171 HG3 LYS 21 3HG LYS 21 9.353 15.612 -29.050 172 HD2 LYS 21 2HD LYS 21 10.150 17.632 -28.000 173 HD3 LYS 21 3HD LYS 21 8.781 17.003 -27.081 174 HE2 LYS 21 2HE LYS 21 10.027 16.934 -25.246 175 HE3 LYS 21 3HE LYS 21 11.166 15.851 -26.044 176 HZ1 LYS 21 1HZ LYS 21 12.058 18.026 -27.075 177 HZ2 LYS 21 2HZ LYS 21 12.481 17.636 -25.485 178 HZ3 LYS 21 3HZ LYS 21 11.271 18.780 -25.781 179 H ALA 22 H ALA 22 10.539 11.817 -28.314 180 HA ALA 22 HA ALA 22 11.286 12.529 -31.023 181 HB1 ALA 22 1HB ALA 22 12.577 11.272 -28.740 182 HB2 ALA 22 2HB ALA 22 12.938 10.461 -30.265 183 HB3 ALA 22 3HB ALA 22 13.277 12.182 -30.079 184 H GLY 23 H GLY 23 9.911 9.785 -29.296 185 HA2 GLY 23 2HA GLY 23 8.440 8.732 -31.339 186 HA3 GLY 23 3HA GLY 23 10.031 8.018 -31.562 187 H CYS 24 H CYS 24 10.899 6.692 -29.868 188 HA CYS 24 HA CYS 24 9.765 5.995 -27.485 189 HB2 CYS 24 2HB CYS 24 8.130 5.093 -29.674 190 HB3 CYS 24 3HB CYS 24 8.770 3.704 -28.800 191 H SER 25 H SER 25 11.896 5.607 -26.984 192 HA SER 25 HA SER 25 13.492 3.744 -28.477 193 HB2 SER 25 2HB SER 25 14.040 5.798 -26.703 194 HB3 SER 25 3HB SER 25 14.440 4.350 -25.779 195 HG SER 25 HG SER 25 16.214 4.342 -26.891 196 H ARG 26 H ARG 26 14.823 2.343 -26.486 197 HA ARG 26 HA ARG 26 12.999 0.176 -26.060 198 HB2 ARG 26 2HB ARG 26 15.771 0.429 -24.900 199 HB3 ARG 26 3HB ARG 26 14.876 -1.043 -25.254 200 HG2 ARG 26 2HG ARG 26 15.378 -0.986 -27.467 201 HG3 ARG 26 3HG ARG 26 15.453 0.777 -27.518 202 HD2 ARG 26 2HD ARG 26 17.621 0.828 -26.658 203 HD3 ARG 26 3HD ARG 26 17.505 -0.813 -26.021 204 HE ARG 26 HE ARG 26 17.309 -0.706 -28.877 205 HH11 ARG 26 1HH1 ARG 26 19.515 -0.757 -26.184 206 HH12 ARG 26 2HH1 ARG 26 20.824 -1.428 -27.101 207 HH21 ARG 26 1HH2 ARG 26 19.024 -1.589 -30.094 208 HH22 ARG 26 2HH2 ARG 26 20.543 -1.899 -29.325 209 HA PRO 27 HA PRO 27 11.560 1.100 -22.013 210 HB2 PRO 27 2HB PRO 27 11.166 -1.408 -21.052 211 HB3 PRO 27 3HB PRO 27 10.117 -0.669 -22.268 212 HG2 PRO 27 2HG PRO 27 12.361 -2.617 -22.634 213 HG3 PRO 27 3HG PRO 27 10.764 -2.591 -23.405 214 HD2 PRO 27 2HD PRO 27 12.997 -1.693 -24.646 215 HD3 PRO 27 3HD PRO 27 11.393 -0.991 -24.941 216 H GLU 28 H GLU 28 14.266 -1.110 -22.393 217 HA GLU 28 HA GLU 28 15.011 -1.148 -19.642 218 HB2 GLU 28 2HB GLU 28 15.821 -2.456 -22.008 219 HB3 GLU 28 3HB GLU 28 17.246 -1.637 -21.383 220 HG2 GLU 28 2HG GLU 28 16.141 -2.797 -19.141 221 HG3 GLU 28 3HG GLU 28 15.875 -3.997 -20.405 222 H GLU 29 H GLU 29 15.947 0.784 -22.436 223 HA GLU 29 HA GLU 29 18.045 2.174 -21.072 224 HB2 GLU 29 2HB GLU 29 16.597 3.058 -23.569 225 HB3 GLU 29 3HB GLU 29 18.206 3.532 -23.042 226 HG2 GLU 29 2HG GLU 29 18.089 0.689 -23.259 227 HG3 GLU 29 3HG GLU 29 17.486 1.417 -24.747 228 H VAL 30 H VAL 30 14.624 2.668 -21.563 229 HA VAL 30 HA VAL 30 14.443 5.389 -20.917 230 HB VAL 30 HB VAL 30 12.449 3.160 -20.506 231 HG11 VAL 30 1HG1 VAL 30 11.016 5.498 -20.680 232 HG12 VAL 30 2HG1 VAL 30 11.347 4.599 -19.198 233 HG13 VAL 30 3HG1 VAL 30 12.384 5.949 -19.663 234 HG21 VAL 30 1HG2 VAL 30 13.372 4.215 -22.835 235 HG22 VAL 30 2HG2 VAL 30 11.776 3.496 -22.625 236 HG23 VAL 30 3HG2 VAL 30 11.976 5.245 -22.517 237 H GLU 31 H GLU 31 14.586 2.518 -18.888 238 HA GLU 31 HA GLU 31 13.844 3.641 -16.447 239 HB2 GLU 31 2HB GLU 31 15.741 1.388 -17.099 240 HB3 GLU 31 3HB GLU 31 15.299 1.814 -15.452 241 HG2 GLU 31 2HG GLU 31 13.371 0.732 -15.593 242 HG3 GLU 31 3HG GLU 31 12.968 1.497 -17.129 243 H GLU 32 H GLU 32 16.919 3.680 -18.146 244 HA GLU 32 HA GLU 32 18.516 4.655 -16.041 245 HB2 GLU 32 2HB GLU 32 18.768 4.290 -18.929 246 HB3 GLU 32 3HB GLU 32 19.650 5.691 -18.338 247 HG2 GLU 32 2HG GLU 32 21.239 4.060 -18.154 248 HG3 GLU 32 3HG GLU 32 20.532 4.024 -16.540 249 H ARG 33 H ARG 33 16.550 6.282 -18.475 250 HA ARG 33 HA ARG 33 17.415 8.911 -17.934 251 HB2 ARG 33 2HB ARG 33 14.749 7.971 -19.007 252 HB3 ARG 33 3HB ARG 33 15.366 9.615 -19.095 253 HG2 ARG 33 2HG ARG 33 17.127 7.550 -20.223 254 HG3 ARG 33 3HG ARG 33 15.598 7.796 -21.069 255 HD2 ARG 33 2HD ARG 33 16.978 10.269 -20.317 256 HD3 ARG 33 3HD ARG 33 17.866 9.262 -21.460 257 HE ARG 33 HE ARG 33 15.137 9.597 -22.221 258 HH11 ARG 33 1HH1 ARG 33 18.262 11.133 -22.235 259 HH12 ARG 33 2HH1 ARG 33 17.918 12.113 -23.622 260 HH21 ARG 33 1HH2 ARG 33 14.673 10.882 -24.047 261 HH22 ARG 33 2HH2 ARG 33 15.877 11.970 -24.652 262 H ILE 34 H ILE 34 14.996 6.853 -16.459 263 HA ILE 34 HA ILE 34 13.571 8.780 -15.014 264 HB ILE 34 HB ILE 34 14.150 5.942 -14.162 265 HG12 ILE 34 2HG1 ILE 34 11.913 7.070 -15.858 266 HG13 ILE 34 3HG1 ILE 34 13.199 6.003 -16.411 267 HG21 ILE 34 1HG2 ILE 34 12.740 6.232 -12.458 268 HG22 ILE 34 2HG2 ILE 34 12.928 7.961 -12.746 269 HG23 ILE 34 3HG2 ILE 34 11.572 7.090 -13.463 270 HD11 ILE 34 1HD1 ILE 34 11.945 4.256 -15.917 271 HD12 ILE 34 2HD1 ILE 34 11.918 4.748 -14.223 272 HD13 ILE 34 3HD1 ILE 34 10.672 5.326 -15.330 273 H ARG 35 H ARG 35 16.574 7.084 -14.284 274 HA ARG 35 HA ARG 35 16.817 7.922 -11.602 275 HB2 ARG 35 2HB ARG 35 18.606 6.741 -13.647 276 HB3 ARG 35 3HB ARG 35 19.392 7.596 -12.327 277 HG2 ARG 35 2HG ARG 35 17.288 5.730 -11.497 278 HG3 ARG 35 3HG ARG 35 18.686 4.983 -12.274 279 HD2 ARG 35 2HD ARG 35 19.553 6.983 -10.410 280 HD3 ARG 35 3HD ARG 35 18.450 5.861 -9.614 281 HE ARG 35 HE ARG 35 20.267 4.342 -11.068 282 HH11 ARG 35 1HH1 ARG 35 20.288 6.555 -8.380 283 HH12 ARG 35 2HH1 ARG 35 21.661 5.823 -7.619 284 HH21 ARG 35 1HH2 ARG 35 22.076 3.369 -10.076 285 HH22 ARG 35 2HH2 ARG 35 22.678 4.011 -8.586 286 H ARG 36 H ARG 36 17.745 9.394 -14.654 287 HA ARG 36 HA ARG 36 19.407 11.422 -13.665 288 HB2 ARG 36 2HB ARG 36 19.358 10.959 -16.021 289 HB3 ARG 36 3HB ARG 36 17.640 11.322 -16.110 290 HG2 ARG 36 2HG ARG 36 18.007 13.629 -15.830 291 HG3 ARG 36 3HG ARG 36 19.675 13.378 -15.310 292 HD2 ARG 36 2HD ARG 36 18.587 12.797 -18.063 293 HD3 ARG 36 3HD ARG 36 19.533 14.215 -17.617 294 HE ARG 36 HE ARG 36 20.874 11.773 -16.987 295 HH11 ARG 36 1HH1 ARG 36 20.151 14.005 -19.559 296 HH12 ARG 36 2HH1 ARG 36 21.551 13.586 -20.491 297 HH21 ARG 36 1HH2 ARG 36 22.719 11.214 -18.204 298 HH22 ARG 36 2HH2 ARG 36 23.010 11.998 -19.720 299 H ALA 37 H ALA 37 15.911 11.422 -14.311 300 HA ALA 37 HA ALA 37 15.441 14.086 -13.531 301 HB1 ALA 37 1HB ALA 37 13.753 13.092 -14.804 302 HB2 ALA 37 2HB ALA 37 13.672 11.674 -13.758 303 HB3 ALA 37 3HB ALA 37 13.054 13.225 -13.190 304 H LEU 38 H LEU 38 15.638 11.093 -11.716 305 HA LEU 38 HA LEU 38 14.474 11.978 -9.317 306 HB2 LEU 38 2HB LEU 38 14.725 9.775 -9.074 307 HB3 LEU 38 3HB LEU 38 16.057 9.715 -10.226 308 HG LEU 38 HG LEU 38 17.517 10.578 -8.311 309 HD11 LEU 38 1HD1 LEU 38 16.555 11.050 -6.374 310 HD12 LEU 38 2HD1 LEU 38 16.019 9.376 -6.233 311 HD13 LEU 38 3HD1 LEU 38 14.985 10.570 -7.018 312 HD21 LEU 38 1HD2 LEU 38 18.062 8.434 -8.771 313 HD22 LEU 38 2HD2 LEU 38 16.387 7.881 -8.726 314 HD23 LEU 38 3HD2 LEU 38 17.273 8.138 -7.221 315 H LYS 39 H LYS 39 17.606 12.504 -10.713 316 HA LYS 39 HA LYS 39 19.126 13.139 -8.478 317 HB2 LYS 39 2HB LYS 39 20.072 12.952 -10.726 318 HB3 LYS 39 3HB LYS 39 19.209 14.401 -11.225 319 HG2 LYS 39 2HG LYS 39 20.737 15.026 -8.912 320 HG3 LYS 39 3HG LYS 39 21.778 14.191 -10.067 321 HD2 LYS 39 2HD LYS 39 21.874 16.559 -10.493 322 HD3 LYS 39 3HD LYS 39 21.017 15.773 -11.821 323 HE2 LYS 39 2HE LYS 39 18.891 16.459 -10.908 324 HE3 LYS 39 3HE LYS 39 19.681 17.126 -9.480 325 HZ1 LYS 39 1HZ LYS 39 19.733 19.036 -10.584 326 HZ2 LYS 39 2HZ LYS 39 19.281 18.311 -12.044 327 HZ3 LYS 39 3HZ LYS 39 20.911 18.356 -11.591 328 H LYS 40 H LYS 40 16.541 14.884 -9.972 329 HA LYS 40 HA LYS 40 17.080 17.485 -9.106 330 HB2 LYS 40 2HB LYS 40 15.323 17.073 -10.699 331 HB3 LYS 40 3HB LYS 40 14.452 16.064 -9.552 332 HG2 LYS 40 2HG LYS 40 13.899 17.939 -8.199 333 HG3 LYS 40 3HG LYS 40 14.981 18.992 -9.113 334 HD2 LYS 40 2HD LYS 40 12.960 17.635 -10.745 335 HD3 LYS 40 3HD LYS 40 12.295 18.743 -9.543 336 HE2 LYS 40 2HE LYS 40 14.469 19.465 -11.503 337 HE3 LYS 40 3HE LYS 40 12.755 19.787 -11.761 338 HZ1 LYS 40 1HZ LYS 40 14.538 21.420 -10.484 339 HZ2 LYS 40 2HZ LYS 40 13.646 20.734 -9.222 340 HZ3 LYS 40 3HZ LYS 40 12.853 21.568 -10.462 341 H MET 41 H MET 41 16.146 14.696 -7.337 342 HA MET 41 HA MET 41 15.328 16.298 -5.023 343 HB2 MET 41 2HB MET 41 15.304 13.293 -5.162 344 HB3 MET 41 3HB MET 41 14.355 14.350 -4.124 345 HG2 MET 41 2HG MET 41 13.613 15.114 -6.664 346 HG3 MET 41 3HG MET 41 13.798 13.367 -6.794 347 HE1 MET 41 1HE MET 41 11.740 15.727 -3.753 348 HE2 MET 41 2HE MET 41 12.342 16.317 -5.303 349 HE3 MET 41 3HE MET 41 10.641 15.884 -5.124 350 H GLY 42 H GLY 42 17.946 14.431 -6.256 351 HA2 GLY 42 2HA GLY 42 20.072 14.115 -5.433 352 HA3 GLY 42 3HA GLY 42 19.661 15.213 -4.124 353 H ASP 43 H ASP 43 17.322 12.927 -4.090 354 HA ASP 43 HA ASP 43 18.805 11.283 -2.145 355 HB2 ASP 43 2HB ASP 43 16.186 12.589 -2.035 356 HB3 ASP 43 3HB ASP 43 16.136 10.890 -1.573 357 H THR 44 H THR 44 19.470 9.866 -3.854 358 HA THR 44 HA THR 44 17.396 8.369 -5.244 359 HB THR 44 HB THR 44 19.086 7.450 -6.600 360 HG1 THR 44 HG1 THR 44 21.389 7.922 -5.900 361 HG21 THR 44 1HG2 THR 44 20.579 9.944 -6.222 362 HG22 THR 44 2HG2 THR 44 18.835 10.164 -6.369 363 HG23 THR 44 3HG2 THR 44 19.729 9.336 -7.643 364 H SER 45 H SER 45 18.256 8.214 -2.243 365 HA SER 45 HA SER 45 19.177 5.539 -1.886 366 HB2 SER 45 2HB SER 45 19.103 5.971 0.392 367 HB3 SER 45 3HB SER 45 19.255 7.604 -0.257 368 HG SER 45 HG SER 45 17.390 8.045 0.581 369 H CYS 46 H CYS 46 16.005 7.105 -1.711 370 HA CYS 46 HA CYS 46 14.699 4.555 -1.203 371 HB2 CYS 46 2HB CYS 46 14.022 6.754 -0.105 372 HB3 CYS 46 3HB CYS 46 13.356 7.216 -1.668 373 H PHE 47 H PHE 47 15.402 6.671 -3.834 374 HA PHE 47 HA PHE 47 13.346 5.738 -5.590 375 HB2 PHE 47 2HB PHE 47 14.768 7.938 -5.680 376 HB3 PHE 47 3HB PHE 47 15.906 6.941 -6.580 377 HD1 PHE 47 HD1 PHE 47 13.006 8.963 -6.770 378 HD2 PHE 47 HD2 PHE 47 14.973 5.673 -8.619 379 HE1 PHE 47 HE1 PHE 47 11.705 9.344 -8.824 380 HE2 PHE 47 HE2 PHE 47 13.676 6.048 -10.676 381 HZ PHE 47 HZ PHE 47 12.040 7.886 -10.780 382 H ASP 48 H ASP 48 16.624 4.780 -4.852 383 HA ASP 48 HA ASP 48 17.240 3.215 -7.057 384 HB2 ASP 48 2HB ASP 48 18.928 3.641 -5.416 385 HB3 ASP 48 3HB ASP 48 17.973 2.879 -4.147 386 H GLU 49 H GLU 49 15.214 2.490 -4.280 387 HA GLU 49 HA GLU 49 14.901 -0.285 -4.938 388 HB2 GLU 49 2HB GLU 49 13.634 1.577 -2.960 389 HB3 GLU 49 3HB GLU 49 12.922 -0.002 -3.259 390 HG2 GLU 49 2HG GLU 49 14.273 -0.539 -1.525 391 HG3 GLU 49 3HG GLU 49 15.406 -0.801 -2.849 392 H ILE 50 H ILE 50 12.927 2.635 -5.308 393 HA ILE 50 HA ILE 50 10.706 1.320 -6.486 394 HB ILE 50 HB ILE 50 9.773 3.415 -6.836 395 HG12 ILE 50 2HG1 ILE 50 11.557 5.449 -6.693 396 HG13 ILE 50 3HG1 ILE 50 12.562 4.206 -7.429 397 HG21 ILE 50 1HG2 ILE 50 10.933 2.900 -4.423 398 HG22 ILE 50 2HG2 ILE 50 11.542 4.515 -4.780 399 HG23 ILE 50 3HG2 ILE 50 9.804 4.217 -4.743 400 HD11 ILE 50 1HD1 ILE 50 10.404 5.781 -8.565 401 HD12 ILE 50 2HD1 ILE 50 11.714 4.906 -9.359 402 HD13 ILE 50 3HD1 ILE 50 10.245 4.054 -8.885 403 H LEU 51 H LEU 51 13.700 2.584 -7.734 404 HA LEU 51 HA LEU 51 13.055 2.887 -10.428 405 HB2 LEU 51 2HB LEU 51 15.249 3.243 -10.720 406 HB3 LEU 51 3HB LEU 51 15.290 3.220 -8.958 407 HG LEU 51 HG LEU 51 15.761 0.672 -9.284 408 HD11 LEU 51 1HD1 LEU 51 15.666 0.142 -11.475 409 HD12 LEU 51 2HD1 LEU 51 17.338 0.703 -11.455 410 HD13 LEU 51 3HD1 LEU 51 16.053 1.780 -12.002 411 HD21 LEU 51 1HD2 LEU 51 17.683 1.367 -8.426 412 HD22 LEU 51 2HD2 LEU 51 17.381 2.998 -9.025 413 HD23 LEU 51 3HD2 LEU 51 18.230 1.829 -10.038 414 H LYS 52 H LYS 52 13.680 0.018 -8.546 415 HA LYS 52 HA LYS 52 14.088 -1.758 -10.727 416 HB2 LYS 52 2HB LYS 52 13.897 -1.927 -7.843 417 HB3 LYS 52 3HB LYS 52 13.022 -3.247 -8.607 418 HG2 LYS 52 2HG LYS 52 15.143 -4.120 -8.328 419 HG3 LYS 52 3HG LYS 52 15.167 -3.564 -10.003 420 HD2 LYS 52 2HD LYS 52 16.794 -2.094 -9.583 421 HD3 LYS 52 3HD LYS 52 15.969 -1.481 -8.148 422 HE2 LYS 52 2HE LYS 52 17.843 -2.359 -7.179 423 HE3 LYS 52 3HE LYS 52 16.786 -3.768 -7.124 424 HZ1 LYS 52 1HZ LYS 52 18.687 -4.649 -8.011 425 HZ2 LYS 52 2HZ LYS 52 19.093 -3.246 -8.864 426 HZ3 LYS 52 3HZ LYS 52 17.853 -4.249 -9.428 427 H GLY 53 H GLY 53 11.243 -0.896 -8.787 428 HA2 GLY 53 2HA GLY 53 9.498 -2.682 -10.196 429 HA3 GLY 53 3HA GLY 53 9.014 -1.428 -9.064 430 H LEU 54 H LEU 54 10.761 0.401 -10.894 431 HA LEU 54 HA LEU 54 8.537 1.343 -12.451 432 HB2 LEU 54 2HB LEU 54 10.743 2.516 -11.331 433 HB3 LEU 54 3HB LEU 54 11.163 2.485 -13.042 434 HG LEU 54 HG LEU 54 8.648 3.718 -11.922 435 HD11 LEU 54 1HD1 LEU 54 10.136 5.242 -11.158 436 HD12 LEU 54 2HD1 LEU 54 10.044 5.804 -12.826 437 HD13 LEU 54 3HD1 LEU 54 11.382 4.775 -12.316 438 HD21 LEU 54 1HD2 LEU 54 8.878 4.862 -14.266 439 HD22 LEU 54 2HD2 LEU 54 8.134 3.271 -14.114 440 HD23 LEU 54 3HD2 LEU 54 9.808 3.414 -14.652 441 H LYS 55 H LYS 55 9.379 -1.273 -13.181 442 HA LYS 55 HA LYS 55 10.708 -0.914 -15.764 443 HB2 LYS 55 2HB LYS 55 10.531 -3.055 -13.826 444 HB3 LYS 55 3HB LYS 55 10.063 -3.622 -15.424 445 HG2 LYS 55 2HG LYS 55 12.303 -4.006 -15.512 446 HG3 LYS 55 3HG LYS 55 12.258 -2.359 -16.146 447 HD2 LYS 55 2HD LYS 55 12.499 -1.737 -13.594 448 HD3 LYS 55 3HD LYS 55 13.193 -3.357 -13.499 449 HE2 LYS 55 2HE LYS 55 14.511 -2.444 -15.642 450 HE3 LYS 55 3HE LYS 55 14.225 -0.914 -14.815 451 HZ1 LYS 55 1HZ LYS 55 16.075 -2.982 -14.183 452 HZ2 LYS 55 2HZ LYS 55 15.082 -2.635 -12.858 453 HZ3 LYS 55 3HZ LYS 55 15.987 -1.403 -13.583 454 H GLU 56 H GLU 56 7.923 -0.048 -15.169 455 HA GLU 56 HA GLU 56 6.489 -1.744 -17.104 456 HB2 GLU 56 2HB GLU 56 5.243 0.177 -15.137 457 HB3 GLU 56 3HB GLU 56 4.429 -1.046 -16.103 458 HG2 GLU 56 2HG GLU 56 6.332 -2.442 -14.625 459 HG3 GLU 56 3HG GLU 56 5.645 -1.266 -13.506 460 H ILE 57 H ILE 57 8.060 -0.216 -18.449 461 HA ILE 57 HA ILE 57 6.755 2.338 -19.022 462 HB ILE 57 HB ILE 57 9.100 2.583 -18.831 463 HG12 ILE 57 2HG1 ILE 57 9.757 3.377 -21.036 464 HG13 ILE 57 3HG1 ILE 57 8.514 2.388 -21.793 465 HG21 ILE 57 1HG2 ILE 57 9.312 0.205 -20.665 466 HG22 ILE 57 2HG2 ILE 57 10.675 1.235 -20.234 467 HG23 ILE 57 3HG2 ILE 57 9.833 0.321 -18.984 468 HD11 ILE 57 1HD1 ILE 57 6.817 3.784 -21.137 469 HD12 ILE 57 2HD1 ILE 57 7.732 4.432 -19.775 470 HD13 ILE 57 3HD1 ILE 57 8.129 4.929 -21.419 471 H LYS 58 H LYS 58 5.219 2.370 -20.512 472 HA LYS 58 HA LYS 58 5.536 0.681 -22.901 473 HB2 LYS 58 2HB LYS 58 3.065 1.113 -21.232 474 HB3 LYS 58 3HB LYS 58 2.980 0.557 -22.898 475 HG2 LYS 58 2HG LYS 58 4.173 -1.438 -22.372 476 HG3 LYS 58 3HG LYS 58 4.544 -0.852 -20.749 477 HD2 LYS 58 2HD LYS 58 1.718 -0.759 -21.144 478 HD3 LYS 58 3HD LYS 58 2.306 -2.359 -21.601 479 HE2 LYS 58 2HE LYS 58 1.729 -2.348 -19.257 480 HE3 LYS 58 3HE LYS 58 3.475 -2.512 -19.433 481 HZ1 LYS 58 1HZ LYS 58 3.849 -0.440 -18.601 482 HZ2 LYS 58 2HZ LYS 58 2.441 -0.822 -17.745 483 HZ3 LYS 58 3HZ LYS 58 2.358 0.177 -19.108 484 H CYS 59 H CYS 59 6.478 3.196 -22.959 485 HA CYS 59 HA CYS 59 4.824 5.314 -23.530 486 HB2 CYS 59 2HB CYS 59 6.650 6.325 -24.642 487 HB3 CYS 59 3HB CYS 59 7.372 5.272 -23.430 488 H GLY 60 H GLY 60 5.445 2.487 -25.445 489 HA2 GLY 60 2HA GLY 60 3.973 3.670 -27.708 490 HA3 GLY 60 3HA GLY 60 5.039 2.277 -27.815 491 H GLY 61 H GLY 61 3.678 1.419 -25.152 492 HA2 GLY 61 2HA GLY 61 1.427 0.639 -24.650 493 HA3 GLY 61 3HA GLY 61 1.188 0.410 -26.376 494 H SER 62 H SER 62 1.199 -1.639 -26.980 495 HA SER 62 HA SER 62 2.269 -3.682 -25.254 496 HB2 SER 62 2HB SER 62 1.311 -5.256 -26.831 497 HB3 SER 62 3HB SER 62 0.143 -3.971 -26.529 498 HG SER 62 HG SER 62 0.317 -4.417 -28.753 499 H TRP 63 H TRP 63 4.383 -4.054 -25.220 500 HA TRP 63 HA TRP 63 5.769 -4.870 -27.572 501 HB2 TRP 63 2HB TRP 63 7.449 -3.133 -27.676 502 HB3 TRP 63 3HB TRP 63 5.858 -2.394 -27.834 503 HD1 TRP 63 HD1 TRP 63 5.683 -2.828 -24.398 504 HE1 TRP 63 HE1 TRP 63 6.687 -0.886 -23.039 505 HE3 TRP 63 HE3 TRP 63 8.509 -0.649 -28.059 506 HZ2 TRP 63 HZ2 TRP 63 8.444 1.283 -23.463 507 HZ3 TRP 63 HZ3 TRP 63 9.821 1.356 -27.500 508 HH2 TRP 63 HH2 TRP 63 9.788 2.300 -25.249 509 H LEU 64 H LEU 64 8.249 -5.056 -26.990 510 HA LEU 64 HA LEU 64 8.439 -5.997 -24.204 511 HB2 LEU 64 2HB LEU 64 8.445 -7.606 -26.389 512 HB3 LEU 64 3HB LEU 64 10.169 -7.295 -26.196 513 HG LEU 64 HG LEU 64 9.747 -8.024 -23.729 514 HD11 LEU 64 1HD1 LEU 64 7.717 -8.743 -23.215 515 HD12 LEU 64 2HD1 LEU 64 7.832 -9.981 -24.465 516 HD13 LEU 64 3HD1 LEU 64 7.169 -8.394 -24.854 517 HD21 LEU 64 1HD2 LEU 64 9.996 -9.735 -26.167 518 HD22 LEU 64 2HD2 LEU 64 9.900 -10.481 -24.571 519 HD23 LEU 64 3HD2 LEU 64 11.201 -9.347 -24.939 520 H GLU 65 H GLU 65 11.075 -6.641 -24.080 521 HA GLU 65 HA GLU 65 12.372 -4.031 -24.481 522 HB2 GLU 65 2HB GLU 65 13.366 -6.157 -22.604 523 HB3 GLU 65 3HB GLU 65 13.678 -4.427 -22.571 524 HG2 GLU 65 2HG GLU 65 10.982 -4.484 -22.267 525 HG3 GLU 65 3HG GLU 65 11.461 -5.966 -21.441 526 H HIS 66 H HIS 66 14.717 -4.075 -24.903 527 HA HIS 66 HA HIS 66 16.033 -6.395 -25.831 528 HB2 HIS 66 2HB HIS 66 14.272 -5.125 -27.719 529 HB3 HIS 66 3HB HIS 66 15.938 -4.973 -28.268 530 HD1 HIS 66 HD1 HIS 66 17.098 -7.657 -27.480 531 HD2 HIS 66 HD2 HIS 66 13.322 -7.215 -29.157 532 HE1 HIS 66 HE1 HIS 66 16.556 -9.885 -28.512 Start of MODEL 12 1 H1 ALA 1 H ALA 1 1.977 -1.922 -2.852 2 HA ALA 1 HA ALA 1 1.095 0.546 -1.502 3 HB1 ALA 1 1HB ALA 1 1.458 -2.216 -0.394 4 HB2 ALA 1 2HB ALA 1 1.547 -0.792 0.643 5 HB3 ALA 1 3HB ALA 1 0.069 -1.136 -0.256 6 H SER 2 H SER 2 3.297 0.590 -3.137 7 HA SER 2 HA SER 2 5.720 0.048 -1.730 8 HB2 SER 2 2HB SER 2 5.009 0.765 -4.358 9 HB3 SER 2 3HB SER 2 6.046 2.065 -3.769 10 HG SER 2 HG SER 2 7.694 0.748 -3.766 11 HA PRO 3 HA PRO 3 6.070 3.625 0.799 12 HB2 PRO 3 2HB PRO 3 8.772 3.840 0.946 13 HB3 PRO 3 3HB PRO 3 7.862 2.580 1.788 14 HG2 PRO 3 2HG PRO 3 9.364 2.425 -0.797 15 HG3 PRO 3 3HG PRO 3 9.319 1.263 0.542 16 HD2 PRO 3 2HD PRO 3 7.867 0.936 -1.719 17 HD3 PRO 3 3HD PRO 3 7.304 0.372 -0.133 18 H CYS 4 H CYS 4 7.900 3.535 -2.219 19 HA CYS 4 HA CYS 4 7.521 6.444 -2.453 20 HB2 CYS 4 2HB CYS 4 9.996 4.817 -2.954 21 HB3 CYS 4 3HB CYS 4 9.733 6.328 -3.818 22 H ASP 5 H ASP 5 5.769 4.503 -3.464 23 HA ASP 5 HA ASP 5 6.292 3.840 -6.166 24 HB2 ASP 5 2HB ASP 5 4.305 3.254 -4.309 25 HB3 ASP 5 3HB ASP 5 3.465 4.170 -5.558 26 H LYS 6 H LYS 6 4.984 6.667 -4.599 27 HA LYS 6 HA LYS 6 3.731 7.876 -6.800 28 HB2 LYS 6 2HB LYS 6 4.063 10.003 -5.538 29 HB3 LYS 6 3HB LYS 6 3.336 8.717 -4.583 30 HG2 LYS 6 2HG LYS 6 5.963 8.337 -4.042 31 HG3 LYS 6 3HG LYS 6 5.908 10.087 -4.263 32 HD2 LYS 6 2HD LYS 6 5.522 9.638 -1.950 33 HD3 LYS 6 3HD LYS 6 3.985 10.141 -2.658 34 HE2 LYS 6 2HE LYS 6 3.194 7.898 -2.724 35 HE3 LYS 6 3HE LYS 6 4.786 7.258 -2.321 36 HZ1 LYS 6 1HZ LYS 6 3.779 7.172 -0.297 37 HZ2 LYS 6 2HZ LYS 6 2.795 8.518 -0.583 38 HZ3 LYS 6 3HZ LYS 6 4.429 8.731 -0.202 39 H GLN 7 H GLN 7 7.084 7.712 -5.827 40 HA GLN 7 HA GLN 7 8.052 9.778 -7.507 41 HB2 GLN 7 2HB GLN 7 9.247 7.548 -5.951 42 HB3 GLN 7 3HB GLN 7 10.221 8.229 -7.247 43 HG2 GLN 7 2HG GLN 7 10.773 9.320 -5.190 44 HG3 GLN 7 3HG GLN 7 9.937 10.462 -6.241 45 HE21 GLN 7 1HE2 GLN 7 8.691 7.891 -4.156 46 HE22 GLN 7 2HE2 GLN 7 7.700 8.919 -3.183 47 H LYS 8 H LYS 8 7.331 6.402 -8.008 48 HA LYS 8 HA LYS 8 8.744 6.097 -10.455 49 HB2 LYS 8 2HB LYS 8 6.413 4.564 -9.293 50 HB3 LYS 8 3HB LYS 8 7.278 4.086 -10.747 51 HG2 LYS 8 2HG LYS 8 9.086 3.353 -9.601 52 HG3 LYS 8 3HG LYS 8 8.903 4.556 -8.323 53 HD2 LYS 8 2HD LYS 8 8.040 2.946 -7.049 54 HD3 LYS 8 3HD LYS 8 6.640 2.936 -8.124 55 HE2 LYS 8 2HE LYS 8 8.481 1.435 -9.503 56 HE3 LYS 8 3HE LYS 8 8.795 0.990 -7.827 57 HZ1 LYS 8 1HZ LYS 8 6.718 0.096 -7.577 58 HZ2 LYS 8 2HZ LYS 8 7.006 -0.269 -9.203 59 HZ3 LYS 8 3HZ LYS 8 6.023 1.045 -8.793 60 H ASN 9 H ASN 9 5.403 6.945 -9.653 61 HA ASN 9 HA ASN 9 4.526 7.054 -12.367 62 HB2 ASN 9 2HB ASN 9 3.137 6.792 -10.169 63 HB3 ASN 9 3HB ASN 9 3.172 8.553 -10.147 64 HD21 ASN 9 1HD2 ASN 9 1.261 9.238 -10.786 65 HD22 ASN 9 2HD2 ASN 9 0.396 8.681 -12.174 66 H TYR 10 H TYR 10 5.707 9.423 -10.037 67 HA TYR 10 HA TYR 10 5.138 11.741 -11.517 68 HB2 TYR 10 2HB TYR 10 5.690 12.184 -9.309 69 HB3 TYR 10 3HB TYR 10 7.053 11.071 -9.317 70 HD1 TYR 10 HD1 TYR 10 5.947 14.292 -10.847 71 HD2 TYR 10 HD2 TYR 10 9.202 11.927 -9.461 72 HE1 TYR 10 HE1 TYR 10 7.477 16.179 -11.235 73 HE2 TYR 10 HE2 TYR 10 10.739 13.808 -9.845 74 HH TYR 10 HH TYR 10 10.740 15.896 -11.403 75 H ILE 11 H ILE 11 7.942 9.595 -11.500 76 HA ILE 11 HA ILE 11 9.396 11.210 -13.397 77 HB ILE 11 HB ILE 11 9.951 8.419 -12.384 78 HG12 ILE 11 2HG1 ILE 11 10.004 10.251 -10.676 79 HG13 ILE 11 3HG1 ILE 11 11.551 9.442 -10.905 80 HG21 ILE 11 1HG2 ILE 11 11.271 10.121 -14.389 81 HG22 ILE 11 2HG2 ILE 11 12.339 9.366 -13.207 82 HG23 ILE 11 3HG2 ILE 11 11.279 8.367 -14.203 83 HD11 ILE 11 1HD1 ILE 11 12.531 11.278 -11.810 84 HD12 ILE 11 2HD1 ILE 11 11.022 11.891 -12.487 85 HD13 ILE 11 3HD1 ILE 11 11.351 12.065 -10.763 86 H ASP 12 H ASP 12 7.666 8.114 -13.446 87 HA ASP 12 HA ASP 12 8.200 7.450 -16.121 88 HB2 ASP 12 2HB ASP 12 7.283 5.874 -14.433 89 HB3 ASP 12 3HB ASP 12 5.748 6.736 -14.498 90 H LYS 13 H LYS 13 5.783 9.522 -14.661 91 HA LYS 13 HA LYS 13 4.312 9.855 -17.126 92 HB2 LYS 13 2HB LYS 13 2.796 11.144 -15.897 93 HB3 LYS 13 3HB LYS 13 3.363 9.953 -14.733 94 HG2 LYS 13 2HG LYS 13 3.594 11.768 -13.425 95 HG3 LYS 13 3HG LYS 13 5.138 11.910 -14.270 96 HD2 LYS 13 2HD LYS 13 4.178 14.055 -14.375 97 HD3 LYS 13 3HD LYS 13 3.894 13.346 -15.967 98 HE2 LYS 13 2HE LYS 13 1.683 13.480 -15.721 99 HE3 LYS 13 3HE LYS 13 1.747 12.731 -14.127 100 HZ1 LYS 13 1HZ LYS 13 1.538 14.696 -13.139 101 HZ2 LYS 13 2HZ LYS 13 1.112 15.325 -14.650 102 HZ3 LYS 13 3HZ LYS 13 2.713 15.425 -14.114 103 H GLN 14 H GLN 14 6.907 11.422 -15.450 104 HA GLN 14 HA GLN 14 6.706 13.830 -17.074 105 HB2 GLN 14 2HB GLN 14 8.421 12.993 -14.759 106 HB3 GLN 14 3HB GLN 14 8.880 14.370 -15.752 107 HG2 GLN 14 2HG GLN 14 6.182 14.142 -14.459 108 HG3 GLN 14 3HG GLN 14 7.571 14.863 -13.647 109 HE21 GLN 14 1HE2 GLN 14 5.241 15.199 -16.193 110 HE22 GLN 14 2HE2 GLN 14 5.567 16.856 -16.553 111 H LEU 15 H LEU 15 8.050 10.786 -17.346 112 HA LEU 15 HA LEU 15 10.260 11.713 -19.042 113 HB2 LEU 15 2HB LEU 15 9.703 9.221 -17.522 114 HB3 LEU 15 3HB LEU 15 10.664 9.093 -18.994 115 HG LEU 15 HG LEU 15 11.784 9.401 -16.626 116 HD11 LEU 15 1HD1 LEU 15 13.510 9.349 -18.016 117 HD12 LEU 15 2HD1 LEU 15 13.342 11.091 -18.231 118 HD13 LEU 15 3HD1 LEU 15 12.525 9.984 -19.334 119 HD21 LEU 15 1HD2 LEU 15 12.203 11.631 -15.992 120 HD22 LEU 15 2HD2 LEU 15 10.464 11.538 -16.274 121 HD23 LEU 15 3HD2 LEU 15 11.516 12.269 -17.487 122 H LEU 16 H LEU 16 7.096 10.646 -19.241 123 HA LEU 16 HA LEU 16 7.268 9.098 -21.639 124 HB2 LEU 16 2HB LEU 16 5.109 10.230 -19.956 125 HB3 LEU 16 3HB LEU 16 4.711 9.875 -21.636 126 HG LEU 16 HG LEU 16 5.953 7.793 -19.869 127 HD11 LEU 16 1HD1 LEU 16 3.778 8.903 -18.947 128 HD12 LEU 16 2HD1 LEU 16 3.941 7.148 -18.970 129 HD13 LEU 16 3HD1 LEU 16 2.997 7.962 -20.217 130 HD21 LEU 16 1HD2 LEU 16 5.821 7.509 -22.353 131 HD22 LEU 16 2HD2 LEU 16 4.064 7.549 -22.203 132 HD23 LEU 16 3HD2 LEU 16 4.988 6.264 -21.423 133 HA PRO 17 HA PRO 17 5.962 13.451 -23.428 134 HB2 PRO 17 2HB PRO 17 7.161 15.529 -22.156 135 HB3 PRO 17 3HB PRO 17 5.560 14.924 -21.711 136 HG2 PRO 17 2HG PRO 17 8.215 14.371 -20.441 137 HG3 PRO 17 3HG PRO 17 6.655 14.714 -19.670 138 HD2 PRO 17 2HD PRO 17 7.644 12.204 -19.905 139 HD3 PRO 17 3HD PRO 17 5.903 12.552 -19.941 140 H ILE 18 H ILE 18 9.154 13.108 -21.908 141 HA ILE 18 HA ILE 18 10.511 14.329 -24.140 142 HB ILE 18 HB ILE 18 12.577 13.752 -22.964 143 HG12 ILE 18 2HG1 ILE 18 10.811 12.475 -20.868 144 HG13 ILE 18 3HG1 ILE 18 11.726 11.565 -22.065 145 HG21 ILE 18 1HG2 ILE 18 11.840 14.870 -20.680 146 HG22 ILE 18 2HG2 ILE 18 11.889 15.781 -22.189 147 HG23 ILE 18 3HG2 ILE 18 10.354 15.155 -21.586 148 HD11 ILE 18 1HD1 ILE 18 13.601 13.240 -20.912 149 HD12 ILE 18 2HD1 ILE 18 12.587 12.720 -19.566 150 HD13 ILE 18 3HD1 ILE 18 13.376 11.521 -20.590 151 H VAL 19 H VAL 19 9.599 11.134 -23.166 152 HA VAL 19 HA VAL 19 11.448 9.800 -24.942 153 HB VAL 19 HB VAL 19 10.438 8.888 -22.724 154 HG11 VAL 19 1HG1 VAL 19 8.305 8.014 -24.668 155 HG12 VAL 19 2HG1 VAL 19 8.429 7.576 -22.963 156 HG13 VAL 19 3HG1 VAL 19 8.090 9.245 -23.425 157 HG21 VAL 19 1HG2 VAL 19 10.315 6.532 -24.018 158 HG22 VAL 19 2HG2 VAL 19 11.118 7.512 -25.246 159 HG23 VAL 19 3HG2 VAL 19 11.828 7.356 -23.639 160 H ASN 20 H ASN 20 7.977 10.507 -24.858 161 HA ASN 20 HA ASN 20 7.518 9.252 -27.415 162 HB2 ASN 20 2HB ASN 20 5.882 9.577 -25.360 163 HB3 ASN 20 3HB ASN 20 5.529 11.101 -26.169 164 HD21 ASN 20 1HD2 ASN 20 3.824 8.784 -25.724 165 HD22 ASN 20 2HD2 ASN 20 3.296 8.270 -27.287 166 H LYS 21 H LYS 21 8.781 12.176 -26.437 167 HA LYS 21 HA LYS 21 7.644 13.987 -28.272 168 HB2 LYS 21 2HB LYS 21 9.778 13.983 -26.349 169 HB3 LYS 21 3HB LYS 21 10.338 14.729 -27.840 170 HG2 LYS 21 2HG LYS 21 8.721 16.415 -27.741 171 HG3 LYS 21 3HG LYS 21 7.749 15.534 -26.560 172 HD2 LYS 21 2HD LYS 21 8.882 16.413 -24.851 173 HD3 LYS 21 3HD LYS 21 10.436 16.018 -25.591 174 HE2 LYS 21 2HE LYS 21 8.896 18.289 -26.727 175 HE3 LYS 21 3HE LYS 21 9.664 18.524 -25.158 176 HZ1 LYS 21 1HZ LYS 21 10.923 17.958 -27.764 177 HZ2 LYS 21 2HZ LYS 21 11.732 17.590 -26.325 178 HZ3 LYS 21 3HZ LYS 21 11.278 19.186 -26.655 179 H ALA 22 H ALA 22 10.574 11.986 -28.458 180 HA ALA 22 HA ALA 22 11.042 12.786 -31.206 181 HB1 ALA 22 1HB ALA 22 12.864 10.888 -30.865 182 HB2 ALA 22 2HB ALA 22 13.079 12.518 -30.227 183 HB3 ALA 22 3HB ALA 22 12.525 11.222 -29.167 184 H GLY 23 H GLY 23 9.869 9.981 -29.429 185 HA2 GLY 23 2HA GLY 23 8.211 8.969 -31.348 186 HA3 GLY 23 3HA GLY 23 9.777 8.276 -31.742 187 H CYS 24 H CYS 24 10.864 7.021 -30.055 188 HA CYS 24 HA CYS 24 9.867 6.227 -27.640 189 HB2 CYS 24 2HB CYS 24 8.215 5.241 -29.778 190 HB3 CYS 24 3HB CYS 24 8.983 3.887 -28.955 191 H SER 25 H SER 25 11.984 5.901 -27.136 192 HA SER 25 HA SER 25 13.697 4.236 -28.733 193 HB2 SER 25 2HB SER 25 14.491 4.874 -25.951 194 HB3 SER 25 3HB SER 25 15.403 5.038 -27.451 195 HG SER 25 HG SER 25 14.651 7.031 -26.299 196 H ARG 26 H ARG 26 15.128 2.800 -26.865 197 HA ARG 26 HA ARG 26 13.411 0.528 -26.503 198 HB2 ARG 26 2HB ARG 26 16.218 0.788 -25.445 199 HB3 ARG 26 3HB ARG 26 15.363 -0.673 -25.923 200 HG2 ARG 26 2HG ARG 26 15.770 -0.356 -28.141 201 HG3 ARG 26 3HG ARG 26 15.826 1.402 -27.993 202 HD2 ARG 26 2HD ARG 26 18.045 1.167 -28.148 203 HD3 ARG 26 3HD ARG 26 17.964 0.617 -26.475 204 HE ARG 26 HE ARG 26 17.539 -1.649 -27.881 205 HH11 ARG 26 1HH1 ARG 26 19.990 0.820 -28.023 206 HH12 ARG 26 2HH1 ARG 26 21.229 -0.259 -28.573 207 HH21 ARG 26 1HH2 ARG 26 19.163 -3.079 -28.605 208 HH22 ARG 26 2HH2 ARG 26 20.757 -2.476 -28.905 209 HA PRO 27 HA PRO 27 12.166 1.158 -22.337 210 HB2 PRO 27 2HB PRO 27 11.900 -1.416 -21.517 211 HB3 PRO 27 3HB PRO 27 10.764 -0.639 -22.627 212 HG2 PRO 27 2HG PRO 27 13.042 -2.485 -23.233 213 HG3 PRO 27 3HG PRO 27 11.406 -2.465 -23.916 214 HD2 PRO 27 2HD PRO 27 13.539 -1.418 -25.214 215 HD3 PRO 27 3HD PRO 27 11.901 -0.753 -25.378 216 H GLU 28 H GLU 28 14.945 -0.859 -23.028 217 HA GLU 28 HA GLU 28 15.837 -1.138 -20.343 218 HB2 GLU 28 2HB GLU 28 16.508 -2.570 -22.331 219 HB3 GLU 28 3HB GLU 28 17.565 -1.250 -22.812 220 HG2 GLU 28 2HG GLU 28 18.048 -1.835 -20.074 221 HG3 GLU 28 3HG GLU 28 18.078 -3.342 -20.987 222 H GLU 29 H GLU 29 16.567 1.143 -22.943 223 HA GLU 29 HA GLU 29 18.562 2.547 -21.443 224 HB2 GLU 29 2HB GLU 29 18.513 4.163 -23.277 225 HB3 GLU 29 3HB GLU 29 18.602 2.518 -23.890 226 HG2 GLU 29 2HG GLU 29 16.546 2.603 -24.830 227 HG3 GLU 29 3HG GLU 29 15.905 3.688 -23.598 228 H VAL 30 H VAL 30 15.115 2.784 -21.848 229 HA VAL 30 HA VAL 30 14.713 5.428 -21.000 230 HB VAL 30 HB VAL 30 12.927 3.008 -20.734 231 HG11 VAL 30 1HG1 VAL 30 11.102 4.716 -20.453 232 HG12 VAL 30 2HG1 VAL 30 12.193 4.547 -19.076 233 HG13 VAL 30 3HG1 VAL 30 12.366 5.914 -20.178 234 HG21 VAL 30 1HG2 VAL 30 13.712 4.321 -22.986 235 HG22 VAL 30 2HG2 VAL 30 12.199 3.432 -22.816 236 HG23 VAL 30 3HG2 VAL 30 12.226 5.178 -22.576 237 H GLU 31 H GLU 31 15.139 2.433 -19.200 238 HA GLU 31 HA GLU 31 14.353 3.301 -16.670 239 HB2 GLU 31 2HB GLU 31 14.767 0.970 -17.058 240 HB3 GLU 31 3HB GLU 31 16.439 1.284 -17.501 241 HG2 GLU 31 2HG GLU 31 16.290 0.328 -15.280 242 HG3 GLU 31 3HG GLU 31 16.928 1.970 -15.217 243 H GLU 32 H GLU 32 17.382 3.728 -18.399 244 HA GLU 32 HA GLU 32 18.888 4.717 -16.214 245 HB2 GLU 32 2HB GLU 32 19.235 4.407 -19.089 246 HB3 GLU 32 3HB GLU 32 19.968 5.888 -18.489 247 HG2 GLU 32 2HG GLU 32 21.711 4.455 -18.233 248 HG3 GLU 32 3HG GLU 32 20.941 4.275 -16.657 249 H ARG 33 H ARG 33 16.779 6.231 -18.580 250 HA ARG 33 HA ARG 33 17.469 8.913 -18.016 251 HB2 ARG 33 2HB ARG 33 14.894 7.763 -19.106 252 HB3 ARG 33 3HB ARG 33 15.322 9.469 -19.119 253 HG2 ARG 33 2HG ARG 33 16.964 9.178 -20.729 254 HG3 ARG 33 3HG ARG 33 17.108 7.448 -20.409 255 HD2 ARG 33 2HD ARG 33 15.640 7.013 -22.016 256 HD3 ARG 33 3HD ARG 33 14.430 8.001 -21.197 257 HE ARG 33 HE ARG 33 14.792 9.640 -22.744 258 HH11 ARG 33 1HH1 ARG 33 17.492 7.443 -22.786 259 HH12 ARG 33 2HH1 ARG 33 18.240 8.183 -24.163 260 HH21 ARG 33 1HH2 ARG 33 15.767 10.622 -24.557 261 HH22 ARG 33 2HH2 ARG 33 17.258 9.992 -25.168 262 H ILE 34 H ILE 34 15.237 6.654 -16.546 263 HA ILE 34 HA ILE 34 13.676 8.438 -15.061 264 HB ILE 34 HB ILE 34 14.506 5.645 -14.268 265 HG12 ILE 34 2HG1 ILE 34 12.151 6.634 -15.888 266 HG13 ILE 34 3HG1 ILE 34 13.485 5.648 -16.476 267 HG21 ILE 34 1HG2 ILE 34 11.869 6.504 -13.456 268 HG22 ILE 34 2HG2 ILE 34 13.179 5.825 -12.492 269 HG23 ILE 34 3HG2 ILE 34 13.123 7.559 -12.807 270 HD11 ILE 34 1HD1 ILE 34 11.455 4.809 -14.419 271 HD12 ILE 34 2HD1 ILE 34 11.477 4.325 -16.115 272 HD13 ILE 34 3HD1 ILE 34 12.777 3.820 -15.036 273 H ARG 35 H ARG 35 16.719 6.811 -14.230 274 HA ARG 35 HA ARG 35 16.939 7.728 -11.600 275 HB2 ARG 35 2HB ARG 35 18.753 6.581 -13.618 276 HB3 ARG 35 3HB ARG 35 19.542 7.571 -12.396 277 HG2 ARG 35 2HG ARG 35 17.602 5.474 -11.546 278 HG3 ARG 35 3HG ARG 35 19.233 5.009 -12.032 279 HD2 ARG 35 2HD ARG 35 19.421 7.253 -10.296 280 HD3 ARG 35 3HD ARG 35 18.355 6.065 -9.548 281 HE ARG 35 HE ARG 35 20.543 4.651 -10.434 282 HH11 ARG 35 1HH1 ARG 35 19.961 7.297 -8.249 283 HH12 ARG 35 2HH1 ARG 35 21.304 6.917 -7.223 284 HH21 ARG 35 1HH2 ARG 35 22.314 4.139 -9.092 285 HH22 ARG 35 2HH2 ARG 35 22.643 5.121 -7.704 286 H ARG 36 H ARG 36 17.812 9.237 -14.654 287 HA ARG 36 HA ARG 36 19.329 11.370 -13.641 288 HB2 ARG 36 2HB ARG 36 19.381 10.881 -15.991 289 HB3 ARG 36 3HB ARG 36 17.647 11.135 -16.136 290 HG2 ARG 36 2HG ARG 36 17.948 13.505 -15.637 291 HG3 ARG 36 3HG ARG 36 19.688 13.251 -15.486 292 HD2 ARG 36 2HD ARG 36 19.144 12.155 -17.935 293 HD3 ARG 36 3HD ARG 36 18.021 13.512 -17.874 294 HE ARG 36 HE ARG 36 20.833 13.652 -18.224 295 HH11 ARG 36 1HH1 ARG 36 18.147 15.295 -16.740 296 HH12 ARG 36 2HH1 ARG 36 18.899 16.855 -16.799 297 HH21 ARG 36 1HH2 ARG 36 21.835 15.699 -18.307 298 HH22 ARG 36 2HH2 ARG 36 20.997 17.084 -17.691 299 H ALA 37 H ALA 37 15.860 11.136 -14.373 300 HA ALA 37 HA ALA 37 15.188 13.773 -13.671 301 HB1 ALA 37 1HB ALA 37 12.865 12.782 -13.350 302 HB2 ALA 37 2HB ALA 37 13.608 12.584 -14.938 303 HB3 ALA 37 3HB ALA 37 13.585 11.236 -13.801 304 H LEU 38 H LEU 38 15.642 10.883 -11.756 305 HA LEU 38 HA LEU 38 14.355 11.703 -9.401 306 HB2 LEU 38 2HB LEU 38 14.861 9.551 -9.090 307 HB3 LEU 38 3HB LEU 38 16.217 9.620 -10.214 308 HG LEU 38 HG LEU 38 17.546 10.672 -8.327 309 HD11 LEU 38 1HD1 LEU 38 15.081 10.771 -7.085 310 HD12 LEU 38 2HD1 LEU 38 16.650 11.025 -6.321 311 HD13 LEU 38 3HD1 LEU 38 15.902 9.428 -6.288 312 HD21 LEU 38 1HD2 LEU 38 16.765 7.915 -8.764 313 HD22 LEU 38 2HD2 LEU 38 17.268 8.206 -7.099 314 HD23 LEU 38 3HD2 LEU 38 18.356 8.600 -8.430 315 H LYS 39 H LYS 39 17.456 12.508 -10.756 316 HA LYS 39 HA LYS 39 18.828 13.412 -8.520 317 HB2 LYS 39 2HB LYS 39 19.997 13.281 -10.583 318 HB3 LYS 39 3HB LYS 39 18.849 14.344 -11.386 319 HG2 LYS 39 2HG LYS 39 20.088 15.638 -9.117 320 HG3 LYS 39 3HG LYS 39 21.284 15.057 -10.278 321 HD2 LYS 39 2HD LYS 39 20.854 17.058 -11.252 322 HD3 LYS 39 3HD LYS 39 19.525 16.150 -11.977 323 HE2 LYS 39 2HE LYS 39 17.944 17.113 -10.604 324 HE3 LYS 39 3HE LYS 39 19.116 17.486 -9.341 325 HZ1 LYS 39 1HZ LYS 39 18.530 18.954 -11.819 326 HZ2 LYS 39 2HZ LYS 39 20.073 19.070 -11.136 327 HZ3 LYS 39 3HZ LYS 39 18.715 19.542 -10.243 328 H LYS 40 H LYS 40 16.164 14.843 -10.232 329 HA LYS 40 HA LYS 40 16.404 17.503 -9.401 330 HB2 LYS 40 2HB LYS 40 13.821 15.990 -9.811 331 HB3 LYS 40 3HB LYS 40 14.059 17.729 -9.931 332 HG2 LYS 40 2HG LYS 40 15.841 16.331 -11.708 333 HG3 LYS 40 3HG LYS 40 14.164 15.862 -11.993 334 HD2 LYS 40 2HD LYS 40 13.817 18.496 -11.800 335 HD3 LYS 40 3HD LYS 40 15.495 18.490 -12.347 336 HE2 LYS 40 2HE LYS 40 14.528 18.439 -14.388 337 HE3 LYS 40 3HE LYS 40 14.451 16.708 -14.063 338 HZ1 LYS 40 1HZ LYS 40 12.190 17.086 -13.161 339 HZ2 LYS 40 2HZ LYS 40 12.324 17.431 -14.811 340 HZ3 LYS 40 3HZ LYS 40 12.277 18.692 -13.684 341 H MET 41 H MET 41 15.589 14.675 -7.640 342 HA MET 41 HA MET 41 14.423 16.230 -5.447 343 HB2 MET 41 2HB MET 41 14.721 13.234 -5.536 344 HB3 MET 41 3HB MET 41 13.616 14.190 -4.556 345 HG2 MET 41 2HG MET 41 12.977 14.858 -7.171 346 HG3 MET 41 3HG MET 41 13.279 13.123 -7.215 347 HE1 MET 41 1HE MET 41 10.045 15.398 -4.962 348 HE2 MET 41 2HE MET 41 11.501 15.129 -4.005 349 HE3 MET 41 3HE MET 41 11.600 16.003 -5.534 350 H GLY 42 H GLY 42 17.311 14.603 -6.400 351 HA2 GLY 42 2HA GLY 42 19.380 14.521 -5.397 352 HA3 GLY 42 3HA GLY 42 18.762 15.624 -4.176 353 H ASP 43 H ASP 43 16.652 13.125 -4.221 354 HA ASP 43 HA ASP 43 18.117 11.706 -2.094 355 HB2 ASP 43 2HB ASP 43 15.393 12.765 -2.241 356 HB3 ASP 43 3HB ASP 43 15.454 11.084 -1.719 357 H THR 44 H THR 44 19.047 10.293 -3.676 358 HA THR 44 HA THR 44 17.242 8.555 -5.157 359 HB THR 44 HB THR 44 19.087 7.795 -6.367 360 HG1 THR 44 HG1 THR 44 20.843 7.288 -5.317 361 HG21 THR 44 1HG2 THR 44 18.615 10.377 -6.402 362 HG22 THR 44 2HG2 THR 44 20.007 9.713 -7.257 363 HG23 THR 44 3HG2 THR 44 20.220 10.470 -5.679 364 H SER 45 H SER 45 17.855 8.597 -2.093 365 HA SER 45 HA SER 45 18.978 6.033 -1.541 366 HB2 SER 45 2HB SER 45 18.903 6.689 0.625 367 HB3 SER 45 3HB SER 45 18.488 8.269 -0.041 368 HG SER 45 HG SER 45 16.902 6.422 1.281 369 H CYS 46 H CYS 46 15.678 7.309 -1.690 370 HA CYS 46 HA CYS 46 14.564 4.672 -1.169 371 HB2 CYS 46 2HB CYS 46 13.595 6.809 -0.209 372 HB3 CYS 46 3HB CYS 46 13.059 7.203 -1.839 373 H PHE 47 H PHE 47 15.340 6.703 -3.830 374 HA PHE 47 HA PHE 47 13.499 5.612 -5.711 375 HB2 PHE 47 2HB PHE 47 14.967 7.818 -5.767 376 HB3 PHE 47 3HB PHE 47 16.109 6.762 -6.592 377 HD1 PHE 47 HD1 PHE 47 12.970 8.557 -6.827 378 HD2 PHE 47 HD2 PHE 47 15.514 5.735 -8.745 379 HE1 PHE 47 HE1 PHE 47 11.749 8.896 -8.936 380 HE2 PHE 47 HE2 PHE 47 14.298 6.070 -10.858 381 HZ PHE 47 HZ PHE 47 12.414 7.652 -10.956 382 H ASP 48 H ASP 48 16.695 4.743 -4.607 383 HA ASP 48 HA ASP 48 17.539 3.069 -6.652 384 HB2 ASP 48 2HB ASP 48 19.009 3.662 -4.819 385 HB3 ASP 48 3HB ASP 48 17.978 2.813 -3.671 386 H GLU 49 H GLU 49 15.264 2.466 -4.043 387 HA GLU 49 HA GLU 49 15.034 -0.345 -4.613 388 HB2 GLU 49 2HB GLU 49 13.561 1.558 -2.810 389 HB3 GLU 49 3HB GLU 49 12.986 -0.084 -3.059 390 HG2 GLU 49 2HG GLU 49 14.261 -0.155 -1.098 391 HG3 GLU 49 3HG GLU 49 15.286 -0.856 -2.349 392 H ILE 50 H ILE 50 13.052 2.541 -5.185 393 HA ILE 50 HA ILE 50 10.915 1.189 -6.451 394 HB ILE 50 HB ILE 50 10.050 3.285 -7.016 395 HG12 ILE 50 2HG1 ILE 50 11.801 5.311 -6.764 396 HG13 ILE 50 3HG1 ILE 50 12.909 4.043 -7.275 397 HG21 ILE 50 1HG2 ILE 50 9.855 4.126 -4.952 398 HG22 ILE 50 2HG2 ILE 50 10.951 2.830 -4.475 399 HG23 ILE 50 3HG2 ILE 50 11.586 4.439 -4.816 400 HD11 ILE 50 1HD1 ILE 50 12.344 4.783 -9.319 401 HD12 ILE 50 2HD1 ILE 50 10.963 3.709 -9.090 402 HD13 ILE 50 3HD1 ILE 50 10.800 5.437 -8.776 403 H LEU 51 H LEU 51 13.978 2.413 -7.590 404 HA LEU 51 HA LEU 51 13.513 2.572 -10.322 405 HB2 LEU 51 2HB LEU 51 15.750 2.796 -10.535 406 HB3 LEU 51 3HB LEU 51 15.643 3.006 -8.789 407 HG LEU 51 HG LEU 51 16.090 0.447 -8.712 408 HD11 LEU 51 1HD1 LEU 51 17.739 0.718 -11.096 409 HD12 LEU 51 2HD1 LEU 51 16.010 0.732 -11.441 410 HD13 LEU 51 3HD1 LEU 51 16.723 -0.622 -10.564 411 HD21 LEU 51 1HD2 LEU 51 18.603 1.568 -9.542 412 HD22 LEU 51 2HD2 LEU 51 18.052 1.127 -7.926 413 HD23 LEU 51 3HD2 LEU 51 17.700 2.731 -8.571 414 H LYS 52 H LYS 52 14.030 -0.222 -8.283 415 HA LYS 52 HA LYS 52 14.466 -2.084 -10.394 416 HB2 LYS 52 2HB LYS 52 14.235 -2.146 -7.498 417 HB3 LYS 52 3HB LYS 52 13.423 -3.516 -8.243 418 HG2 LYS 52 2HG LYS 52 15.566 -4.305 -7.883 419 HG3 LYS 52 3HG LYS 52 15.607 -3.808 -9.576 420 HD2 LYS 52 2HD LYS 52 17.177 -2.271 -9.177 421 HD3 LYS 52 3HD LYS 52 16.298 -1.632 -7.786 422 HE2 LYS 52 2HE LYS 52 17.513 -2.826 -6.315 423 HE3 LYS 52 3HE LYS 52 17.555 -4.250 -7.354 424 HZ1 LYS 52 1HZ LYS 52 19.486 -3.618 -8.293 425 HZ2 LYS 52 2HZ LYS 52 19.682 -2.749 -6.855 426 HZ3 LYS 52 3HZ LYS 52 19.118 -1.967 -8.245 427 H GLY 53 H GLY 53 11.621 -1.157 -8.484 428 HA2 GLY 53 2HA GLY 53 9.884 -2.990 -9.854 429 HA3 GLY 53 3HA GLY 53 9.395 -1.731 -8.729 430 H LEU 54 H LEU 54 11.098 0.117 -10.564 431 HA LEU 54 HA LEU 54 8.858 1.005 -12.132 432 HB2 LEU 54 2HB LEU 54 11.017 2.239 -10.998 433 HB3 LEU 54 3HB LEU 54 11.470 2.202 -12.701 434 HG LEU 54 HG LEU 54 8.944 3.423 -11.588 435 HD11 LEU 54 1HD1 LEU 54 10.362 5.440 -12.721 436 HD12 LEU 54 2HD1 LEU 54 11.652 4.460 -12.025 437 HD13 LEU 54 3HD1 LEU 54 10.353 5.065 -10.997 438 HD21 LEU 54 1HD2 LEU 54 8.446 2.738 -13.770 439 HD22 LEU 54 2HD2 LEU 54 10.055 3.151 -14.364 440 HD23 LEU 54 3HD2 LEU 54 8.917 4.430 -13.937 441 H LYS 55 H LYS 55 9.782 -1.594 -12.848 442 HA LYS 55 HA LYS 55 11.100 -1.202 -15.431 443 HB2 LYS 55 2HB LYS 55 11.084 -3.294 -13.475 444 HB3 LYS 55 3HB LYS 55 10.492 -3.938 -15.001 445 HG2 LYS 55 2HG LYS 55 12.875 -4.251 -14.844 446 HG3 LYS 55 3HG LYS 55 12.509 -3.088 -16.120 447 HD2 LYS 55 2HD LYS 55 13.795 -1.566 -15.134 448 HD3 LYS 55 3HD LYS 55 12.839 -1.686 -13.655 449 HE2 LYS 55 2HE LYS 55 15.187 -2.157 -13.212 450 HE3 LYS 55 3HE LYS 55 14.197 -3.589 -12.934 451 HZ1 LYS 55 1HZ LYS 55 15.661 -3.097 -15.464 452 HZ2 LYS 55 2HZ LYS 55 14.922 -4.533 -14.962 453 HZ3 LYS 55 3HZ LYS 55 16.313 -3.977 -14.175 454 H GLU 56 H GLU 56 8.292 -0.422 -14.849 455 HA GLU 56 HA GLU 56 6.908 -2.187 -16.757 456 HB2 GLU 56 2HB GLU 56 5.715 -0.308 -14.710 457 HB3 GLU 56 3HB GLU 56 4.810 -1.350 -15.798 458 HG2 GLU 56 2HG GLU 56 5.157 -3.183 -14.550 459 HG3 GLU 56 3HG GLU 56 6.804 -2.716 -14.132 460 H ILE 57 H ILE 57 8.441 -0.654 -18.136 461 HA ILE 57 HA ILE 57 7.351 1.957 -18.668 462 HB ILE 57 HB ILE 57 9.751 1.538 -18.933 463 HG12 ILE 57 2HG1 ILE 57 10.022 2.583 -21.161 464 HG13 ILE 57 3HG1 ILE 57 8.342 2.208 -21.527 465 HG21 ILE 57 1HG2 ILE 57 10.674 -0.007 -20.342 466 HG22 ILE 57 2HG2 ILE 57 9.182 -0.842 -19.914 467 HG23 ILE 57 3HG2 ILE 57 9.301 0.018 -21.448 468 HD11 ILE 57 1HD1 ILE 57 7.537 3.792 -20.047 469 HD12 ILE 57 2HD1 ILE 57 9.045 3.852 -19.134 470 HD13 ILE 57 3HD1 ILE 57 8.956 4.576 -20.739 471 H LYS 58 H LYS 58 5.841 2.492 -20.109 472 HA LYS 58 HA LYS 58 5.114 0.531 -22.181 473 HB2 LYS 58 2HB LYS 58 2.724 1.445 -21.849 474 HB3 LYS 58 3HB LYS 58 3.342 0.287 -20.679 475 HG2 LYS 58 2HG LYS 58 3.513 1.852 -19.012 476 HG3 LYS 58 3HG LYS 58 3.672 3.197 -20.143 477 HD2 LYS 58 2HD LYS 58 1.307 2.949 -20.753 478 HD3 LYS 58 3HD LYS 58 1.155 1.619 -19.603 479 HE2 LYS 58 2HE LYS 58 0.682 3.095 -18.013 480 HE3 LYS 58 3HE LYS 58 2.300 3.770 -18.195 481 HZ1 LYS 58 1HZ LYS 58 1.283 5.625 -18.826 482 HZ2 LYS 58 2HZ LYS 58 -0.218 4.862 -18.986 483 HZ3 LYS 58 3HZ LYS 58 0.884 4.838 -20.270 484 H CYS 59 H CYS 59 6.873 2.506 -22.755 485 HA CYS 59 HA CYS 59 5.993 4.992 -23.518 486 HB2 CYS 59 2HB CYS 59 8.333 4.331 -23.672 487 HB3 CYS 59 3HB CYS 59 7.953 3.200 -24.966 488 H GLY 60 H GLY 60 4.109 5.361 -24.524 489 HA2 GLY 60 2HA GLY 60 2.873 5.622 -26.508 490 HA3 GLY 60 3HA GLY 60 3.789 4.306 -27.226 491 H GLY 61 H GLY 61 3.393 2.120 -26.061 492 HA2 GLY 61 2HA GLY 61 0.787 1.774 -24.892 493 HA3 GLY 61 3HA GLY 61 0.868 1.225 -26.560 494 H SER 62 H SER 62 0.821 -0.935 -26.423 495 HA SER 62 HA SER 62 2.236 -2.342 -24.335 496 HB2 SER 62 2HB SER 62 0.731 -3.426 -26.729 497 HB3 SER 62 3HB SER 62 1.289 -4.365 -25.344 498 HG SER 62 HG SER 62 -0.060 -2.573 -24.198 499 H TRP 63 H TRP 63 4.155 -3.345 -24.481 500 HA TRP 63 HA TRP 63 5.336 -4.255 -26.876 501 HB2 TRP 63 2HB TRP 63 7.082 -2.655 -27.229 502 HB3 TRP 63 3HB TRP 63 5.562 -1.766 -27.186 503 HD1 TRP 63 HD1 TRP 63 5.534 -1.913 -23.837 504 HE1 TRP 63 HE1 TRP 63 6.993 -0.181 -22.613 505 HE3 TRP 63 HE3 TRP 63 8.683 -0.655 -27.663 506 HZ2 TRP 63 HZ2 TRP 63 9.188 1.497 -23.193 507 HZ3 TRP 63 HZ3 TRP 63 10.435 1.022 -27.246 508 HH2 TRP 63 HH2 TRP 63 10.680 2.075 -25.056 509 H LEU 64 H LEU 64 7.690 -4.857 -26.517 510 HA LEU 64 HA LEU 64 8.312 -5.285 -23.685 511 HB2 LEU 64 2HB LEU 64 7.416 -7.289 -25.501 512 HB3 LEU 64 3HB LEU 64 9.103 -7.607 -25.103 513 HG LEU 64 HG LEU 64 7.493 -8.822 -23.666 514 HD11 LEU 64 1HD1 LEU 64 8.790 -8.630 -21.790 515 HD12 LEU 64 2HD1 LEU 64 8.877 -6.872 -21.893 516 HD13 LEU 64 3HD1 LEU 64 9.841 -7.868 -22.983 517 HD21 LEU 64 1HD2 LEU 64 6.829 -6.137 -22.481 518 HD22 LEU 64 2HD2 LEU 64 6.106 -7.703 -22.110 519 HD23 LEU 64 3HD2 LEU 64 5.807 -6.941 -23.673 520 H GLU 65 H GLU 65 10.557 -5.878 -23.300 521 HA GLU 65 HA GLU 65 12.322 -4.423 -25.057 522 HB2 GLU 65 2HB GLU 65 13.960 -4.641 -23.361 523 HB3 GLU 65 3HB GLU 65 12.434 -4.389 -22.526 524 HG2 GLU 65 2HG GLU 65 13.282 -6.092 -21.286 525 HG3 GLU 65 3HG GLU 65 12.394 -7.016 -22.495 526 H HIS 66 H HIS 66 14.038 -5.237 -26.232 527 HA HIS 66 HA HIS 66 14.773 -7.989 -26.216 528 HB2 HIS 66 2HB HIS 66 12.499 -7.444 -27.710 529 HB3 HIS 66 3HB HIS 66 13.791 -7.450 -28.907 530 HD1 HIS 66 HD1 HIS 66 13.967 -9.671 -29.952 531 HD2 HIS 66 HD2 HIS 66 12.966 -9.947 -25.929 532 HE1 HIS 66 HE1 HIS 66 13.800 -12.134 -29.468 Start of MODEL 13 1 H1 ALA 1 H ALA 1 4.829 -3.607 -3.611 2 HA ALA 1 HA ALA 1 3.211 -1.178 -3.442 3 HB1 ALA 1 1HB ALA 1 2.287 -3.177 -2.421 4 HB2 ALA 1 2HB ALA 1 3.717 -3.340 -1.401 5 HB3 ALA 1 3HB ALA 1 2.635 -1.964 -1.188 6 H SER 2 H SER 2 5.852 -0.631 -3.955 7 HA SER 2 HA SER 2 7.433 -0.234 -1.644 8 HB2 SER 2 2HB SER 2 8.821 1.196 -3.072 9 HB3 SER 2 3HB SER 2 8.377 -0.283 -3.924 10 HG SER 2 HG SER 2 7.115 2.245 -4.203 11 HA PRO 3 HA PRO 3 5.657 3.348 0.179 12 HB2 PRO 3 2HB PRO 3 7.859 4.433 1.337 13 HB3 PRO 3 3HB PRO 3 7.069 2.976 1.952 14 HG2 PRO 3 2HG PRO 3 9.507 3.228 0.233 15 HG3 PRO 3 3HG PRO 3 9.222 2.162 1.621 16 HD2 PRO 3 2HD PRO 3 9.028 1.303 -0.940 17 HD3 PRO 3 3HD PRO 3 8.025 0.642 0.368 18 H CYS 4 H CYS 4 8.238 3.596 -2.121 19 HA CYS 4 HA CYS 4 7.671 6.462 -2.491 20 HB2 CYS 4 2HB CYS 4 10.112 4.791 -3.013 21 HB3 CYS 4 3HB CYS 4 9.868 6.305 -3.879 22 H ASP 5 H ASP 5 5.878 4.549 -3.491 23 HA ASP 5 HA ASP 5 6.365 3.891 -6.201 24 HB2 ASP 5 2HB ASP 5 3.966 3.400 -6.312 25 HB3 ASP 5 3HB ASP 5 4.676 2.731 -4.845 26 H LYS 6 H LYS 6 5.115 6.729 -4.609 27 HA LYS 6 HA LYS 6 3.856 7.967 -6.790 28 HB2 LYS 6 2HB LYS 6 4.350 10.104 -5.509 29 HB3 LYS 6 3HB LYS 6 3.445 8.870 -4.642 30 HG2 LYS 6 2HG LYS 6 4.965 8.824 -3.036 31 HG3 LYS 6 3HG LYS 6 6.245 8.483 -4.202 32 HD2 LYS 6 2HD LYS 6 6.766 10.513 -2.998 33 HD3 LYS 6 3HD LYS 6 6.405 10.903 -4.681 34 HE2 LYS 6 2HE LYS 6 4.760 12.260 -4.057 35 HE3 LYS 6 3HE LYS 6 3.993 10.968 -3.136 36 HZ1 LYS 6 1HZ LYS 6 6.301 12.094 -1.840 37 HZ2 LYS 6 2HZ LYS 6 4.756 11.788 -1.223 38 HZ3 LYS 6 3HZ LYS 6 5.057 13.215 -2.080 39 H GLN 7 H GLN 7 7.218 7.733 -5.867 40 HA GLN 7 HA GLN 7 8.204 9.796 -7.538 41 HB2 GLN 7 2HB GLN 7 9.358 7.547 -5.996 42 HB3 GLN 7 3HB GLN 7 10.329 8.147 -7.335 43 HG2 GLN 7 2HG GLN 7 10.999 9.274 -5.344 44 HG3 GLN 7 3HG GLN 7 10.153 10.424 -6.378 45 HE21 GLN 7 1HE2 GLN 7 8.928 7.934 -4.183 46 HE22 GLN 7 2HE2 GLN 7 8.015 9.011 -3.189 47 H LYS 8 H LYS 8 7.395 6.446 -8.074 48 HA LYS 8 HA LYS 8 8.763 6.133 -10.542 49 HB2 LYS 8 2HB LYS 8 6.392 4.660 -9.383 50 HB3 LYS 8 3HB LYS 8 7.241 4.171 -10.844 51 HG2 LYS 8 2HG LYS 8 9.036 3.383 -9.708 52 HG3 LYS 8 3HG LYS 8 8.872 4.564 -8.406 53 HD2 LYS 8 2HD LYS 8 8.004 2.914 -7.181 54 HD3 LYS 8 3HD LYS 8 6.576 3.022 -8.213 55 HE2 LYS 8 2HE LYS 8 8.836 1.428 -9.253 56 HE3 LYS 8 3HE LYS 8 7.987 0.763 -7.859 57 HZ1 LYS 8 1HZ LYS 8 5.928 0.862 -9.063 58 HZ2 LYS 8 2HZ LYS 8 7.061 0.017 -9.992 59 HZ3 LYS 8 3HZ LYS 8 6.673 1.617 -10.381 60 H ASN 9 H ASN 9 5.449 7.050 -9.696 61 HA ASN 9 HA ASN 9 4.578 7.254 -12.411 62 HB2 ASN 9 2HB ASN 9 3.185 6.929 -10.215 63 HB3 ASN 9 3HB ASN 9 3.219 8.689 -10.157 64 HD21 ASN 9 1HD2 ASN 9 2.814 6.252 -12.709 65 HD22 ASN 9 2HD2 ASN 9 1.373 6.939 -13.368 66 H TYR 10 H TYR 10 5.762 9.523 -9.985 67 HA TYR 10 HA TYR 10 5.219 11.904 -11.364 68 HB2 TYR 10 2HB TYR 10 5.792 12.233 -9.138 69 HB3 TYR 10 3HB TYR 10 7.156 11.124 -9.217 70 HD1 TYR 10 HD1 TYR 10 9.305 11.982 -9.372 71 HD2 TYR 10 HD2 TYR 10 6.023 14.419 -10.552 72 HE1 TYR 10 HE1 TYR 10 10.836 13.881 -9.687 73 HE2 TYR 10 HE2 TYR 10 7.546 16.325 -10.871 74 HH TYR 10 HH TYR 10 9.626 17.090 -10.564 75 H ILE 11 H ILE 11 8.002 9.732 -11.460 76 HA ILE 11 HA ILE 11 9.457 11.411 -13.299 77 HB ILE 11 HB ILE 11 9.988 8.575 -12.402 78 HG12 ILE 11 2HG1 ILE 11 10.089 10.344 -10.631 79 HG13 ILE 11 3HG1 ILE 11 11.622 9.524 -10.909 80 HG21 ILE 11 1HG2 ILE 11 12.379 9.505 -13.222 81 HG22 ILE 11 2HG2 ILE 11 11.285 8.576 -14.246 82 HG23 ILE 11 3HG2 ILE 11 11.314 10.336 -14.357 83 HD11 ILE 11 1HD1 ILE 11 11.154 12.002 -12.440 84 HD12 ILE 11 2HD1 ILE 11 11.397 12.169 -10.701 85 HD13 ILE 11 3HD1 ILE 11 12.626 11.384 -11.692 86 H ASP 12 H ASP 12 7.690 8.340 -13.466 87 HA ASP 12 HA ASP 12 8.196 7.793 -16.176 88 HB2 ASP 12 2HB ASP 12 7.283 6.158 -14.525 89 HB3 ASP 12 3HB ASP 12 5.745 7.015 -14.584 90 H LYS 13 H LYS 13 5.822 9.818 -14.593 91 HA LYS 13 HA LYS 13 4.313 10.264 -17.019 92 HB2 LYS 13 2HB LYS 13 2.823 11.504 -15.713 93 HB3 LYS 13 3HB LYS 13 3.401 10.264 -14.608 94 HG2 LYS 13 2HG LYS 13 3.666 12.018 -13.228 95 HG3 LYS 13 3HG LYS 13 5.193 12.195 -14.096 96 HD2 LYS 13 2HD LYS 13 4.248 14.343 -14.103 97 HD3 LYS 13 3HD LYS 13 3.902 13.697 -15.708 98 HE2 LYS 13 2HE LYS 13 1.926 14.771 -14.875 99 HE3 LYS 13 3HE LYS 13 1.652 13.030 -14.890 100 HZ1 LYS 13 1HZ LYS 13 1.859 12.909 -12.581 101 HZ2 LYS 13 2HZ LYS 13 0.929 14.299 -12.836 102 HZ3 LYS 13 3HZ LYS 13 2.572 14.439 -12.458 103 H GLN 14 H GLN 14 6.952 11.731 -15.327 104 HA GLN 14 HA GLN 14 6.741 14.210 -16.842 105 HB2 GLN 14 2HB GLN 14 8.507 13.271 -14.599 106 HB3 GLN 14 3HB GLN 14 8.913 14.710 -15.525 107 HG2 GLN 14 2HG GLN 14 6.278 14.329 -14.132 108 HG3 GLN 14 3HG GLN 14 7.672 15.109 -13.388 109 HE21 GLN 14 1HE2 GLN 14 5.180 15.365 -15.783 110 HE22 GLN 14 2HE2 GLN 14 5.397 17.044 -16.128 111 H LEU 15 H LEU 15 8.134 11.169 -17.182 112 HA LEU 15 HA LEU 15 10.254 12.177 -18.949 113 HB2 LEU 15 2HB LEU 15 10.601 10.445 -17.020 114 HB3 LEU 15 3HB LEU 15 9.961 9.302 -18.199 115 HG LEU 15 HG LEU 15 12.040 10.842 -19.418 116 HD11 LEU 15 1HD1 LEU 15 13.257 11.277 -17.556 117 HD12 LEU 15 2HD1 LEU 15 13.799 9.622 -17.835 118 HD13 LEU 15 3HD1 LEU 15 12.543 9.949 -16.641 119 HD21 LEU 15 1HD2 LEU 15 12.564 8.835 -20.277 120 HD22 LEU 15 2HD2 LEU 15 11.036 8.323 -19.560 121 HD23 LEU 15 3HD2 LEU 15 12.552 8.043 -18.701 122 H LEU 16 H LEU 16 7.143 10.949 -19.020 123 HA LEU 16 HA LEU 16 7.318 9.381 -21.407 124 HB2 LEU 16 2HB LEU 16 5.520 8.836 -20.030 125 HB3 LEU 16 3HB LEU 16 5.074 10.524 -19.788 126 HG LEU 16 HG LEU 16 4.834 9.555 -22.557 127 HD11 LEU 16 1HD1 LEU 16 3.921 7.592 -21.867 128 HD12 LEU 16 2HD1 LEU 16 2.493 8.618 -21.731 129 HD13 LEU 16 3HD1 LEU 16 3.443 8.235 -20.295 130 HD21 LEU 16 1HD2 LEU 16 2.453 10.643 -21.758 131 HD22 LEU 16 2HD2 LEU 16 3.789 11.531 -22.489 132 HD23 LEU 16 3HD2 LEU 16 3.616 11.485 -20.734 133 HA PRO 17 HA PRO 17 5.696 13.641 -23.165 134 HB2 PRO 17 2HB PRO 17 6.861 15.786 -21.977 135 HB3 PRO 17 3HB PRO 17 5.318 15.112 -21.441 136 HG2 PRO 17 2HG PRO 17 8.059 14.698 -20.312 137 HG3 PRO 17 3HG PRO 17 6.529 14.975 -19.461 138 HD2 PRO 17 2HD PRO 17 7.621 12.512 -19.728 139 HD3 PRO 17 3HD PRO 17 5.866 12.778 -19.673 140 H ILE 18 H ILE 18 8.978 13.467 -21.817 141 HA ILE 18 HA ILE 18 10.149 14.715 -24.138 142 HB ILE 18 HB ILE 18 12.319 14.153 -23.047 143 HG12 ILE 18 2HG1 ILE 18 10.975 13.438 -20.515 144 HG13 ILE 18 3HG1 ILE 18 10.937 12.196 -21.762 145 HG21 ILE 18 1HG2 ILE 18 12.094 15.755 -21.248 146 HG22 ILE 18 2HG2 ILE 18 11.141 16.276 -22.636 147 HG23 ILE 18 3HG2 ILE 18 10.343 15.544 -21.244 148 HD11 ILE 18 1HD1 ILE 18 13.017 11.626 -21.293 149 HD12 ILE 18 2HD1 ILE 18 13.572 13.275 -21.589 150 HD13 ILE 18 3HD1 ILE 18 13.018 12.806 -19.982 151 H VAL 19 H VAL 19 9.402 11.513 -23.098 152 HA VAL 19 HA VAL 19 11.257 10.216 -24.894 153 HB VAL 19 HB VAL 19 10.281 9.316 -22.636 154 HG11 VAL 19 1HG1 VAL 19 8.359 7.871 -22.889 155 HG12 VAL 19 2HG1 VAL 19 7.927 9.518 -23.352 156 HG13 VAL 19 3HG1 VAL 19 8.224 8.300 -24.593 157 HG21 VAL 19 1HG2 VAL 19 10.994 7.882 -25.135 158 HG22 VAL 19 2HG2 VAL 19 11.807 7.901 -23.570 159 HG23 VAL 19 3HG2 VAL 19 10.353 6.929 -23.796 160 H ASN 20 H ASN 20 7.769 10.816 -24.751 161 HA ASN 20 HA ASN 20 7.295 9.506 -27.277 162 HB2 ASN 20 2HB ASN 20 5.672 9.720 -25.259 163 HB3 ASN 20 3HB ASN 20 5.329 11.321 -25.908 164 HD21 ASN 20 1HD2 ASN 20 3.384 9.385 -25.679 165 HD22 ASN 20 2HD2 ASN 20 2.888 8.886 -27.257 166 H LYS 21 H LYS 21 8.500 12.480 -26.377 167 HA LYS 21 HA LYS 21 7.281 14.230 -28.215 168 HB2 LYS 21 2HB LYS 21 8.529 15.206 -26.457 169 HB3 LYS 21 3HB LYS 21 9.956 14.248 -26.831 170 HG2 LYS 21 2HG LYS 21 10.447 15.530 -28.740 171 HG3 LYS 21 3HG LYS 21 8.851 16.285 -28.739 172 HD2 LYS 21 2HD LYS 21 9.511 17.228 -26.448 173 HD3 LYS 21 3HD LYS 21 11.159 16.766 -26.877 174 HE2 LYS 21 2HE LYS 21 9.559 18.355 -28.824 175 HE3 LYS 21 3HE LYS 21 10.228 19.171 -27.412 176 HZ1 LYS 21 1HZ LYS 21 11.572 18.922 -29.652 177 HZ2 LYS 21 2HZ LYS 21 12.022 17.452 -28.946 178 HZ3 LYS 21 3HZ LYS 21 12.342 18.907 -28.145 179 H ALA 22 H ALA 22 10.220 12.252 -28.449 180 HA ALA 22 HA ALA 22 10.639 13.037 -31.207 181 HB1 ALA 22 1HB ALA 22 12.248 10.803 -30.328 182 HB2 ALA 22 2HB ALA 22 12.744 12.413 -30.852 183 HB3 ALA 22 3HB ALA 22 12.297 12.132 -29.170 184 H GLY 23 H GLY 23 9.474 10.245 -29.405 185 HA2 GLY 23 2HA GLY 23 7.774 9.242 -31.288 186 HA3 GLY 23 3HA GLY 23 9.327 8.540 -31.716 187 H CYS 24 H CYS 24 10.447 7.287 -30.043 188 HA CYS 24 HA CYS 24 9.485 6.495 -27.612 189 HB2 CYS 24 2HB CYS 24 7.800 5.512 -29.720 190 HB3 CYS 24 3HB CYS 24 8.586 4.155 -28.920 191 H SER 25 H SER 25 11.582 6.130 -27.096 192 HA SER 25 HA SER 25 13.304 4.510 -28.728 193 HB2 SER 25 2HB SER 25 15.017 5.052 -27.212 194 HB3 SER 25 3HB SER 25 13.974 6.474 -27.187 195 HG SER 25 HG SER 25 14.157 4.397 -25.275 196 H ARG 26 H ARG 26 14.721 3.020 -26.891 197 HA ARG 26 HA ARG 26 13.016 0.730 -26.623 198 HB2 ARG 26 2HB ARG 26 15.809 1.017 -25.525 199 HB3 ARG 26 3HB ARG 26 14.973 -0.461 -25.979 200 HG2 ARG 26 2HG ARG 26 15.362 -0.165 -28.207 201 HG3 ARG 26 3HG ARG 26 15.425 1.593 -28.075 202 HD2 ARG 26 2HD ARG 26 17.618 1.572 -27.272 203 HD3 ARG 26 3HD ARG 26 17.533 -0.132 -26.825 204 HE ARG 26 HE ARG 26 18.193 -0.667 -28.942 205 HH11 ARG 26 1HH1 ARG 26 16.962 2.590 -28.945 206 HH12 ARG 26 2HH1 ARG 26 17.408 2.896 -30.591 207 HH21 ARG 26 1HH2 ARG 26 18.785 -0.276 -31.110 208 HH22 ARG 26 2HH2 ARG 26 18.444 1.264 -31.822 209 HA PRO 27 HA PRO 27 11.658 1.249 -22.475 210 HB2 PRO 27 2HB PRO 27 11.349 -1.348 -21.749 211 HB3 PRO 27 3HB PRO 27 10.249 -0.524 -22.861 212 HG2 PRO 27 2HG PRO 27 12.526 -2.370 -23.469 213 HG3 PRO 27 3HG PRO 27 10.909 -2.312 -24.194 214 HD2 PRO 27 2HD PRO 27 13.084 -1.243 -25.400 215 HD3 PRO 27 3HD PRO 27 11.457 -0.558 -25.584 216 H GLU 28 H GLU 28 14.403 -0.843 -23.136 217 HA GLU 28 HA GLU 28 15.226 -1.127 -20.422 218 HB2 GLU 28 2HB GLU 28 15.952 -2.774 -21.997 219 HB3 GLU 28 3HB GLU 28 16.661 -1.550 -23.041 220 HG2 GLU 28 2HG GLU 28 17.725 -1.614 -20.308 221 HG3 GLU 28 3HG GLU 28 18.044 -3.054 -21.273 222 H GLU 29 H GLU 29 16.044 1.090 -23.038 223 HA GLU 29 HA GLU 29 18.138 2.400 -21.593 224 HB2 GLU 29 2HB GLU 29 16.606 3.469 -23.964 225 HB3 GLU 29 3HB GLU 29 18.208 3.952 -23.425 226 HG2 GLU 29 2HG GLU 29 18.172 1.135 -23.912 227 HG3 GLU 29 3HG GLU 29 17.534 1.991 -25.315 228 H VAL 30 H VAL 30 14.695 2.851 -21.965 229 HA VAL 30 HA VAL 30 14.467 5.490 -21.050 230 HB VAL 30 HB VAL 30 12.532 3.184 -20.828 231 HG11 VAL 30 1HG1 VAL 30 12.327 6.015 -19.940 232 HG12 VAL 30 2HG1 VAL 30 10.904 5.250 -20.649 233 HG13 VAL 30 3HG1 VAL 30 11.660 4.552 -19.216 234 HG21 VAL 30 1HG2 VAL 30 11.979 5.451 -22.609 235 HG22 VAL 30 2HG2 VAL 30 13.383 4.482 -23.057 236 HG23 VAL 30 3HG2 VAL 30 11.802 3.719 -22.887 237 H GLU 31 H GLU 31 14.722 2.437 -19.320 238 HA GLU 31 HA GLU 31 13.997 3.278 -16.767 239 HB2 GLU 31 2HB GLU 31 15.381 1.016 -17.941 240 HB3 GLU 31 3HB GLU 31 16.072 1.449 -16.384 241 HG2 GLU 31 2HG GLU 31 14.299 0.704 -15.250 242 HG3 GLU 31 3HG GLU 31 13.152 1.384 -16.404 243 H GLU 32 H GLU 32 17.035 3.610 -18.501 244 HA GLU 32 HA GLU 32 18.578 4.491 -16.288 245 HB2 GLU 32 2HB GLU 32 18.925 4.236 -19.184 246 HB3 GLU 32 3HB GLU 32 19.783 5.609 -18.498 247 HG2 GLU 32 2HG GLU 32 21.126 4.273 -17.168 248 HG3 GLU 32 3HG GLU 32 20.018 2.905 -17.250 249 H ARG 33 H ARG 33 16.575 6.125 -18.667 250 HA ARG 33 HA ARG 33 17.398 8.764 -18.091 251 HB2 ARG 33 2HB ARG 33 14.747 7.781 -19.163 252 HB3 ARG 33 3HB ARG 33 15.317 9.444 -19.216 253 HG2 ARG 33 2HG ARG 33 17.366 8.056 -20.408 254 HG3 ARG 33 3HG ARG 33 15.924 7.203 -20.964 255 HD2 ARG 33 2HD ARG 33 14.967 9.310 -21.737 256 HD3 ARG 33 3HD ARG 33 16.387 10.177 -21.153 257 HE ARG 33 HE ARG 33 16.145 8.744 -23.605 258 HH11 ARG 33 1HH1 ARG 33 18.390 9.656 -21.106 259 HH12 ARG 33 2HH1 ARG 33 19.778 9.568 -22.140 260 HH21 ARG 33 1HH2 ARG 33 17.964 8.625 -24.976 261 HH22 ARG 33 2HH2 ARG 33 19.534 8.982 -24.341 262 H ILE 34 H ILE 34 15.048 6.622 -16.628 263 HA ILE 34 HA ILE 34 13.578 8.478 -15.142 264 HB ILE 34 HB ILE 34 14.273 5.642 -14.368 265 HG12 ILE 34 2HG1 ILE 34 11.947 6.775 -15.936 266 HG13 ILE 34 3HG1 ILE 34 13.212 5.720 -16.555 267 HG21 ILE 34 1HG2 ILE 34 13.002 7.626 -12.879 268 HG22 ILE 34 2HG2 ILE 34 11.702 6.607 -13.493 269 HG23 ILE 34 3HG2 ILE 34 13.012 5.892 -12.554 270 HD11 ILE 34 1HD1 ILE 34 10.734 5.031 -15.341 271 HD12 ILE 34 2HD1 ILE 34 11.953 3.977 -16.059 272 HD13 ILE 34 3HD1 ILE 34 12.053 4.406 -14.351 273 H ARG 35 H ARG 35 16.629 6.848 -14.431 274 HA ARG 35 HA ARG 35 16.883 7.669 -11.756 275 HB2 ARG 35 2HB ARG 35 18.664 6.568 -13.836 276 HB3 ARG 35 3HB ARG 35 19.468 7.493 -12.576 277 HG2 ARG 35 2HG ARG 35 17.499 5.406 -11.788 278 HG3 ARG 35 3HG ARG 35 19.103 4.913 -12.334 279 HD2 ARG 35 2HD ARG 35 19.420 7.067 -10.515 280 HD3 ARG 35 3HD ARG 35 18.313 5.903 -9.787 281 HE ARG 35 HE ARG 35 20.467 4.475 -10.816 282 HH11 ARG 35 1HH1 ARG 35 19.856 6.865 -8.360 283 HH12 ARG 35 2HH1 ARG 35 21.152 6.337 -7.339 284 HH21 ARG 35 1HH2 ARG 35 22.177 3.770 -9.481 285 HH22 ARG 35 2HH2 ARG 35 22.473 4.577 -7.978 286 H ARG 36 H ARG 36 17.729 9.235 -14.789 287 HA ARG 36 HA ARG 36 19.285 11.328 -13.752 288 HB2 ARG 36 2HB ARG 36 19.306 10.902 -16.110 289 HB3 ARG 36 3HB ARG 36 17.570 11.153 -16.229 290 HG2 ARG 36 2HG ARG 36 17.880 13.517 -15.664 291 HG3 ARG 36 3HG ARG 36 19.623 13.256 -15.578 292 HD2 ARG 36 2HD ARG 36 17.937 12.753 -18.026 293 HD3 ARG 36 3HD ARG 36 18.853 14.231 -17.733 294 HE ARG 36 HE ARG 36 20.438 11.836 -17.592 295 HH11 ARG 36 1HH1 ARG 36 19.134 14.292 -19.688 296 HH12 ARG 36 2HH1 ARG 36 20.344 14.076 -20.909 297 HH21 ARG 36 1HH2 ARG 36 22.036 11.542 -19.194 298 HH22 ARG 36 2HH2 ARG 36 21.993 12.511 -20.628 299 H ALA 37 H ALA 37 15.803 11.150 -14.439 300 HA ALA 37 HA ALA 37 15.162 13.774 -13.684 301 HB1 ALA 37 1HB ALA 37 13.583 12.519 -14.946 302 HB2 ALA 37 2HB ALA 37 13.503 11.262 -13.710 303 HB3 ALA 37 3HB ALA 37 12.845 12.865 -13.382 304 H LEU 38 H LEU 38 15.609 10.852 -11.808 305 HA LEU 38 HA LEU 38 14.403 11.684 -9.413 306 HB2 LEU 38 2HB LEU 38 14.859 9.522 -9.116 307 HB3 LEU 38 3HB LEU 38 16.168 9.552 -10.297 308 HG LEU 38 HG LEU 38 17.604 10.560 -8.457 309 HD11 LEU 38 1HD1 LEU 38 16.800 10.903 -6.411 310 HD12 LEU 38 2HD1 LEU 38 16.015 9.324 -6.369 311 HD13 LEU 38 3HD1 LEU 38 15.195 10.697 -7.112 312 HD21 LEU 38 1HD2 LEU 38 18.363 8.474 -8.619 313 HD22 LEU 38 2HD2 LEU 38 16.746 7.828 -8.902 314 HD23 LEU 38 3HD2 LEU 38 17.318 8.083 -7.253 315 H LYS 39 H LYS 39 17.490 12.416 -10.839 316 HA LYS 39 HA LYS 39 18.942 13.260 -8.630 317 HB2 LYS 39 2HB LYS 39 19.917 13.067 -10.861 318 HB3 LYS 39 3HB LYS 39 18.933 14.410 -11.427 319 HG2 LYS 39 2HG LYS 39 20.400 15.251 -9.134 320 HG3 LYS 39 3HG LYS 39 21.505 14.488 -10.280 321 HD2 LYS 39 2HD LYS 39 21.454 16.756 -10.897 322 HD3 LYS 39 3HD LYS 39 20.402 15.944 -12.059 323 HE2 LYS 39 2HE LYS 39 18.444 16.684 -10.908 324 HE3 LYS 39 3HE LYS 39 19.400 17.292 -9.557 325 HZ1 LYS 39 1HZ LYS 39 19.557 19.229 -10.584 326 HZ2 LYS 39 2HZ LYS 39 18.631 18.649 -11.875 327 HZ3 LYS 39 3HZ LYS 39 20.316 18.504 -11.911 328 H LYS 40 H LYS 40 16.238 14.740 -10.205 329 HA LYS 40 HA LYS 40 16.571 17.403 -9.406 330 HB2 LYS 40 2HB LYS 40 14.884 16.629 -11.046 331 HB3 LYS 40 3HB LYS 40 13.980 15.878 -9.738 332 HG2 LYS 40 2HG LYS 40 13.611 18.057 -8.721 333 HG3 LYS 40 3HG LYS 40 14.552 18.824 -10.002 334 HD2 LYS 40 2HD LYS 40 12.903 18.550 -11.564 335 HD3 LYS 40 3HD LYS 40 12.264 17.097 -10.792 336 HE2 LYS 40 2HE LYS 40 11.980 19.897 -9.707 337 HE3 LYS 40 3HE LYS 40 10.744 19.047 -10.632 338 HZ1 LYS 40 1HZ LYS 40 11.590 17.405 -8.517 339 HZ2 LYS 40 2HZ LYS 40 10.059 18.073 -8.784 340 HZ3 LYS 40 3HZ LYS 40 11.211 18.929 -7.888 341 H MET 41 H MET 41 15.787 14.596 -7.593 342 HA MET 41 HA MET 41 14.799 16.195 -5.342 343 HB2 MET 41 2HB MET 41 14.957 13.193 -5.404 344 HB3 MET 41 3HB MET 41 13.910 14.216 -4.429 345 HG2 MET 41 2HG MET 41 13.204 14.872 -7.004 346 HG3 MET 41 3HG MET 41 13.514 13.139 -7.095 347 HE1 MET 41 1HE MET 41 10.456 15.091 -4.244 348 HE2 MET 41 2HE MET 41 12.192 15.147 -3.937 349 HE3 MET 41 3HE MET 41 11.516 15.981 -5.338 350 H GLY 42 H GLY 42 17.555 14.456 -6.458 351 HA2 GLY 42 2HA GLY 42 19.670 14.279 -5.570 352 HA3 GLY 42 3HA GLY 42 19.163 15.389 -4.305 353 H ASP 43 H ASP 43 16.959 12.968 -4.275 354 HA ASP 43 HA ASP 43 18.470 11.474 -2.234 355 HB2 ASP 43 2HB ASP 43 15.777 12.620 -2.249 356 HB3 ASP 43 3HB ASP 43 15.808 10.932 -1.748 357 H THR 44 H THR 44 19.284 10.046 -3.861 358 HA THR 44 HA THR 44 17.366 8.393 -5.295 359 HB THR 44 HB THR 44 19.142 7.572 -6.569 360 HG1 THR 44 HG1 THR 44 21.071 8.565 -4.743 361 HG21 THR 44 1HG2 THR 44 18.754 10.148 -6.617 362 HG22 THR 44 2HG2 THR 44 20.146 9.464 -7.457 363 HG23 THR 44 3HG2 THR 44 20.353 10.220 -5.877 364 H SER 45 H SER 45 18.071 8.375 -2.253 365 HA SER 45 HA SER 45 19.120 5.771 -1.755 366 HB2 SER 45 2HB SER 45 18.464 6.179 0.576 367 HB3 SER 45 3HB SER 45 19.287 7.586 -0.098 368 HG SER 45 HG SER 45 16.501 7.232 0.292 369 H CYS 46 H CYS 46 15.857 7.147 -1.815 370 HA CYS 46 HA CYS 46 14.674 4.541 -1.296 371 HB2 CYS 46 2HB CYS 46 13.789 6.692 -0.295 372 HB3 CYS 46 3HB CYS 46 13.239 7.126 -1.910 373 H PHE 47 H PHE 47 15.452 6.575 -3.956 374 HA PHE 47 HA PHE 47 13.542 5.537 -5.803 375 HB2 PHE 47 2HB PHE 47 15.041 7.724 -5.869 376 HB3 PHE 47 3HB PHE 47 16.145 6.663 -6.737 377 HD1 PHE 47 HD1 PHE 47 15.477 5.671 -8.885 378 HD2 PHE 47 HD2 PHE 47 13.028 8.507 -6.867 379 HE1 PHE 47 HE1 PHE 47 14.212 6.051 -10.961 380 HE2 PHE 47 HE2 PHE 47 11.758 8.890 -8.938 381 HZ PHE 47 HZ PHE 47 12.349 7.661 -10.989 382 H ASP 48 H ASP 48 16.752 4.614 -4.785 383 HA ASP 48 HA ASP 48 17.525 2.954 -6.869 384 HB2 ASP 48 2HB ASP 48 18.300 3.387 -4.120 385 HB3 ASP 48 3HB ASP 48 18.368 1.671 -4.515 386 H GLU 49 H GLU 49 15.298 2.352 -4.220 387 HA GLU 49 HA GLU 49 15.020 -0.449 -4.811 388 HB2 GLU 49 2HB GLU 49 13.805 1.467 -2.883 389 HB3 GLU 49 3HB GLU 49 12.902 0.006 -3.257 390 HG2 GLU 49 2HG GLU 49 14.240 -1.263 -2.019 391 HG3 GLU 49 3HG GLU 49 15.696 -0.533 -2.691 392 H ILE 50 H ILE 50 13.065 2.466 -5.318 393 HA ILE 50 HA ILE 50 10.888 1.152 -6.557 394 HB ILE 50 HB ILE 50 10.036 3.263 -7.084 395 HG12 ILE 50 2HG1 ILE 50 11.815 5.267 -6.840 396 HG13 ILE 50 3HG1 ILE 50 12.899 3.992 -7.387 397 HG21 ILE 50 1HG2 ILE 50 11.621 4.381 -4.901 398 HG22 ILE 50 2HG2 ILE 50 9.887 4.080 -5.007 399 HG23 ILE 50 3HG2 ILE 50 10.984 2.771 -4.564 400 HD11 ILE 50 1HD1 ILE 50 10.781 5.430 -8.832 401 HD12 ILE 50 2HD1 ILE 50 12.305 4.756 -9.412 402 HD13 ILE 50 3HD1 ILE 50 10.912 3.703 -9.166 403 H LEU 51 H LEU 51 13.944 2.352 -7.740 404 HA LEU 51 HA LEU 51 13.427 2.544 -10.462 405 HB2 LEU 51 2HB LEU 51 15.662 2.749 -10.717 406 HB3 LEU 51 3HB LEU 51 15.588 2.950 -8.968 407 HG LEU 51 HG LEU 51 16.019 0.391 -8.907 408 HD11 LEU 51 1HD1 LEU 51 16.345 1.029 -11.746 409 HD12 LEU 51 2HD1 LEU 51 16.055 -0.519 -10.953 410 HD13 LEU 51 3HD1 LEU 51 17.690 0.136 -11.038 411 HD21 LEU 51 1HD2 LEU 51 17.997 1.064 -8.159 412 HD22 LEU 51 2HD2 LEU 51 17.657 2.665 -8.817 413 HD23 LEU 51 3HD2 LEU 51 18.525 1.477 -9.791 414 H LYS 52 H LYS 52 13.982 -0.275 -8.462 415 HA LYS 52 HA LYS 52 14.353 -2.118 -10.600 416 HB2 LYS 52 2HB LYS 52 14.029 -2.247 -7.674 417 HB3 LYS 52 3HB LYS 52 13.442 -3.659 -8.543 418 HG2 LYS 52 2HG LYS 52 15.543 -4.385 -8.425 419 HG3 LYS 52 3HG LYS 52 15.875 -3.228 -9.715 420 HD2 LYS 52 2HD LYS 52 17.486 -2.676 -8.153 421 HD3 LYS 52 3HD LYS 52 16.192 -1.544 -7.754 422 HE2 LYS 52 2HE LYS 52 15.415 -3.112 -6.006 423 HE3 LYS 52 3HE LYS 52 16.783 -4.161 -6.374 424 HZ1 LYS 52 1HZ LYS 52 16.949 -2.459 -4.451 425 HZ2 LYS 52 2HZ LYS 52 17.258 -1.342 -5.682 426 HZ3 LYS 52 3HZ LYS 52 18.274 -2.679 -5.480 427 H GLY 53 H GLY 53 11.558 -1.190 -8.617 428 HA2 GLY 53 2HA GLY 53 9.779 -3.001 -9.962 429 HA3 GLY 53 3HA GLY 53 9.324 -1.747 -8.818 430 H LEU 54 H LEU 54 11.001 0.099 -10.682 431 HA LEU 54 HA LEU 54 8.733 1.019 -12.187 432 HB2 LEU 54 2HB LEU 54 10.912 2.234 -11.097 433 HB3 LEU 54 3HB LEU 54 11.359 2.177 -12.800 434 HG LEU 54 HG LEU 54 8.861 3.450 -11.683 435 HD11 LEU 54 1HD1 LEU 54 10.242 5.455 -12.810 436 HD12 LEU 54 2HD1 LEU 54 11.578 4.453 -12.244 437 HD13 LEU 54 3HD1 LEU 54 10.363 5.030 -11.103 438 HD21 LEU 54 1HD2 LEU 54 8.341 2.727 -13.855 439 HD22 LEU 54 2HD2 LEU 54 9.941 3.143 -14.470 440 HD23 LEU 54 3HD2 LEU 54 8.802 4.419 -14.037 441 H LYS 55 H LYS 55 9.574 -1.580 -12.950 442 HA LYS 55 HA LYS 55 10.847 -1.199 -15.558 443 HB2 LYS 55 2HB LYS 55 10.688 -3.780 -15.559 444 HB3 LYS 55 3HB LYS 55 11.850 -3.010 -14.485 445 HG2 LYS 55 2HG LYS 55 10.694 -4.815 -13.356 446 HG3 LYS 55 3HG LYS 55 10.294 -3.262 -12.618 447 HD2 LYS 55 2HD LYS 55 8.157 -3.223 -13.652 448 HD3 LYS 55 3HD LYS 55 8.570 -4.576 -14.708 449 HE2 LYS 55 2HE LYS 55 8.940 -5.808 -12.405 450 HE3 LYS 55 3HE LYS 55 7.837 -4.563 -11.821 451 HZ1 LYS 55 1HZ LYS 55 7.302 -6.490 -14.017 452 HZ2 LYS 55 2HZ LYS 55 6.251 -5.255 -13.536 453 HZ3 LYS 55 3HZ LYS 55 6.615 -6.517 -12.470 454 H GLU 56 H GLU 56 8.067 -0.366 -14.899 455 HA GLU 56 HA GLU 56 6.607 -2.078 -16.800 456 HB2 GLU 56 2HB GLU 56 5.363 -0.149 -14.844 457 HB3 GLU 56 3HB GLU 56 4.570 -1.431 -15.749 458 HG2 GLU 56 2HG GLU 56 5.720 -3.111 -14.449 459 HG3 GLU 56 3HG GLU 56 6.620 -1.863 -13.588 460 H ILE 57 H ILE 57 8.124 -0.557 -18.199 461 HA ILE 57 HA ILE 57 7.077 2.086 -18.655 462 HB ILE 57 HB ILE 57 9.461 1.608 -18.998 463 HG12 ILE 57 2HG1 ILE 57 9.692 2.707 -21.203 464 HG13 ILE 57 3HG1 ILE 57 7.991 2.386 -21.527 465 HG21 ILE 57 1HG2 ILE 57 10.296 0.066 -20.454 466 HG22 ILE 57 2HG2 ILE 57 8.777 -0.727 -20.038 467 HG23 ILE 57 3HG2 ILE 57 8.914 0.182 -21.543 468 HD11 ILE 57 1HD1 ILE 57 8.818 3.947 -19.117 469 HD12 ILE 57 2HD1 ILE 57 8.681 4.715 -20.700 470 HD13 ILE 57 3HD1 ILE 57 7.274 3.942 -19.970 471 H LYS 58 H LYS 58 5.554 2.687 -20.059 472 HA LYS 58 HA LYS 58 4.708 0.767 -22.124 473 HB2 LYS 58 2HB LYS 58 2.831 2.534 -20.550 474 HB3 LYS 58 3HB LYS 58 2.392 1.307 -21.731 475 HG2 LYS 58 2HG LYS 58 2.185 -0.125 -20.057 476 HG3 LYS 58 3HG LYS 58 3.933 -0.030 -19.828 477 HD2 LYS 58 2HD LYS 58 3.640 1.829 -18.277 478 HD3 LYS 58 3HD LYS 58 1.894 1.780 -18.530 479 HE2 LYS 58 2HE LYS 58 1.741 -0.382 -17.524 480 HE3 LYS 58 3HE LYS 58 3.496 -0.542 -17.471 481 HZ1 LYS 58 1HZ LYS 58 1.985 1.540 -15.993 482 HZ2 LYS 58 2HZ LYS 58 3.627 1.165 -15.839 483 HZ3 LYS 58 3HZ LYS 58 2.456 0.062 -15.317 484 H CYS 59 H CYS 59 6.518 2.689 -22.730 485 HA CYS 59 HA CYS 59 5.677 5.205 -23.462 486 HB2 CYS 59 2HB CYS 59 8.005 4.486 -23.636 487 HB3 CYS 59 3HB CYS 59 7.587 3.390 -24.949 488 H GLY 60 H GLY 60 5.174 2.149 -25.140 489 HA2 GLY 60 2HA GLY 60 3.302 3.554 -26.938 490 HA3 GLY 60 3HA GLY 60 4.428 2.358 -27.563 491 H GLY 61 H GLY 61 3.244 1.644 -24.454 492 HA2 GLY 61 2HA GLY 61 1.221 0.480 -23.881 493 HA3 GLY 61 3HA GLY 61 1.080 -0.019 -25.560 494 H SER 62 H SER 62 1.290 -2.146 -25.695 495 HA SER 62 HA SER 62 2.847 -3.629 -23.772 496 HB2 SER 62 2HB SER 62 2.010 -5.242 -25.999 497 HB3 SER 62 3HB SER 62 1.441 -5.281 -24.330 498 HG SER 62 HG SER 62 0.223 -4.293 -26.527 499 H TRP 63 H TRP 63 4.935 -4.055 -23.954 500 HA TRP 63 HA TRP 63 6.164 -4.936 -26.341 501 HB2 TRP 63 2HB TRP 63 7.598 -3.080 -26.869 502 HB3 TRP 63 3HB TRP 63 5.938 -2.492 -26.855 503 HD1 TRP 63 HD1 TRP 63 6.103 -2.443 -23.459 504 HE1 TRP 63 HE1 TRP 63 7.175 -0.337 -22.440 505 HE3 TRP 63 HE3 TRP 63 8.617 -0.740 -27.572 506 HZ2 TRP 63 HZ2 TRP 63 8.863 1.768 -23.270 507 HZ3 TRP 63 HZ3 TRP 63 9.937 1.328 -27.375 508 HH2 TRP 63 HH2 TRP 63 10.055 2.555 -25.268 509 H LEU 64 H LEU 64 8.775 -4.459 -25.953 510 HA LEU 64 HA LEU 64 9.585 -4.633 -23.222 511 HB2 LEU 64 2HB LEU 64 8.588 -6.967 -24.130 512 HB3 LEU 64 3HB LEU 64 10.271 -7.135 -24.625 513 HG LEU 64 HG LEU 64 10.977 -6.818 -22.293 514 HD11 LEU 64 1HD1 LEU 64 9.335 -5.484 -21.311 515 HD12 LEU 64 2HD1 LEU 64 9.102 -7.065 -20.566 516 HD13 LEU 64 3HD1 LEU 64 8.024 -6.531 -21.856 517 HD21 LEU 64 1HD2 LEU 64 8.912 -8.985 -22.671 518 HD22 LEU 64 2HD2 LEU 64 10.179 -8.966 -21.444 519 HD23 LEU 64 3HD2 LEU 64 10.607 -9.071 -23.152 520 H GLU 65 H GLU 65 11.973 -5.301 -23.097 521 HA GLU 65 HA GLU 65 13.384 -3.779 -25.103 522 HB2 GLU 65 2HB GLU 65 15.279 -3.926 -23.670 523 HB3 GLU 65 3HB GLU 65 13.879 -3.670 -22.636 524 HG2 GLU 65 2HG GLU 65 13.914 -6.311 -22.548 525 HG3 GLU 65 3HG GLU 65 15.616 -6.054 -22.928 526 H HIS 66 H HIS 66 14.879 -4.525 -26.561 527 HA HIS 66 HA HIS 66 15.781 -5.968 -28.073 528 HB2 HIS 66 2HB HIS 66 17.143 -6.582 -26.114 529 HB3 HIS 66 3HB HIS 66 15.942 -7.788 -25.660 530 HD1 HIS 66 HD1 HIS 66 16.410 -10.075 -26.472 531 HD2 HIS 66 HD2 HIS 66 18.280 -7.193 -28.809 532 HE1 HIS 66 HE1 HIS 66 17.782 -11.354 -28.147 Start of MODEL 14 1 H1 ALA 1 H ALA 1 2.929 -1.815 -1.347 2 HA ALA 1 HA ALA 1 2.045 0.940 -0.916 3 HB1 ALA 1 1HB ALA 1 1.166 -0.910 0.509 4 HB2 ALA 1 2HB ALA 1 2.793 -1.110 1.160 5 HB3 ALA 1 3HB ALA 1 1.924 0.404 1.409 6 H SER 2 H SER 2 4.435 0.753 -2.297 7 HA SER 2 HA SER 2 6.740 0.803 -0.678 8 HB2 SER 2 2HB SER 2 7.439 0.627 -2.830 9 HB3 SER 2 3HB SER 2 6.055 1.522 -3.457 10 HG SER 2 HG SER 2 8.167 2.576 -3.641 11 HA PRO 3 HA PRO 3 6.551 4.719 1.306 12 HB2 PRO 3 2HB PRO 3 9.201 5.242 1.576 13 HB3 PRO 3 3HB PRO 3 8.359 4.024 2.541 14 HG2 PRO 3 2HG PRO 3 10.055 3.667 0.101 15 HG3 PRO 3 3HG PRO 3 10.026 2.709 1.593 16 HD2 PRO 3 2HD PRO 3 8.783 1.910 -0.676 17 HD3 PRO 3 3HD PRO 3 8.163 1.519 0.941 18 H CYS 4 H CYS 4 8.550 4.386 -1.578 19 HA CYS 4 HA CYS 4 8.028 7.222 -2.188 20 HB2 CYS 4 2HB CYS 4 10.500 5.583 -2.771 21 HB3 CYS 4 3HB CYS 4 10.183 7.157 -3.494 22 H ASP 5 H ASP 5 6.352 5.022 -2.888 23 HA ASP 5 HA ASP 5 6.814 4.142 -5.540 24 HB2 ASP 5 2HB ASP 5 5.108 3.362 -3.627 25 HB3 ASP 5 3HB ASP 5 4.019 4.387 -4.557 26 H LYS 6 H LYS 6 5.353 6.999 -4.182 27 HA LYS 6 HA LYS 6 3.904 7.887 -6.413 28 HB2 LYS 6 2HB LYS 6 4.127 10.149 -5.381 29 HB3 LYS 6 3HB LYS 6 3.554 8.914 -4.268 30 HG2 LYS 6 2HG LYS 6 6.192 8.761 -3.795 31 HG3 LYS 6 3HG LYS 6 6.062 10.459 -4.261 32 HD2 LYS 6 2HD LYS 6 5.779 10.364 -1.902 33 HD3 LYS 6 3HD LYS 6 4.185 10.662 -2.598 34 HE2 LYS 6 2HE LYS 6 3.480 8.462 -2.204 35 HE3 LYS 6 3HE LYS 6 5.128 7.884 -1.964 36 HZ1 LYS 6 1HZ LYS 6 3.923 9.867 -0.137 37 HZ2 LYS 6 2HZ LYS 6 5.237 8.838 0.137 38 HZ3 LYS 6 3HZ LYS 6 3.668 8.209 0.082 39 H GLN 7 H GLN 7 7.303 8.052 -5.630 40 HA GLN 7 HA GLN 7 8.031 10.018 -7.534 41 HB2 GLN 7 2HB GLN 7 9.468 7.998 -5.892 42 HB3 GLN 7 3HB GLN 7 10.315 8.654 -7.286 43 HG2 GLN 7 2HG GLN 7 10.892 9.924 -5.340 44 HG3 GLN 7 3HG GLN 7 9.921 10.926 -6.418 45 HE21 GLN 7 1HE2 GLN 7 8.934 8.420 -4.130 46 HE22 GLN 7 2HE2 GLN 7 7.939 9.448 -3.161 47 H LYS 8 H LYS 8 7.509 6.574 -7.715 48 HA LYS 8 HA LYS 8 8.819 6.098 -10.173 49 HB2 LYS 8 2HB LYS 8 6.531 4.647 -8.834 50 HB3 LYS 8 3HB LYS 8 7.369 4.057 -10.264 51 HG2 LYS 8 2HG LYS 8 9.251 3.499 -9.105 52 HG3 LYS 8 3HG LYS 8 8.991 4.733 -7.870 53 HD2 LYS 8 2HD LYS 8 8.202 3.120 -6.553 54 HD3 LYS 8 3HD LYS 8 6.812 3.011 -7.635 55 HE2 LYS 8 2HE LYS 8 8.527 1.514 -9.021 56 HE3 LYS 8 3HE LYS 8 9.197 1.262 -7.410 57 HZ1 LYS 8 1HZ LYS 8 6.674 0.357 -8.532 58 HZ2 LYS 8 2HZ LYS 8 6.617 0.879 -6.924 59 HZ3 LYS 8 3HZ LYS 8 7.666 -0.370 -7.371 60 H ASN 9 H ASN 9 5.487 6.976 -9.368 61 HA ASN 9 HA ASN 9 4.557 6.860 -12.065 62 HB2 ASN 9 2HB ASN 9 3.219 6.752 -9.815 63 HB3 ASN 9 3HB ASN 9 3.212 8.508 -9.952 64 HD21 ASN 9 1HD2 ASN 9 1.356 5.968 -10.449 65 HD22 ASN 9 2HD2 ASN 9 0.448 6.479 -11.827 66 H TYR 10 H TYR 10 5.752 9.412 -9.947 67 HA TYR 10 HA TYR 10 5.111 11.607 -11.576 68 HB2 TYR 10 2HB TYR 10 5.719 12.243 -9.439 69 HB3 TYR 10 3HB TYR 10 7.070 11.117 -9.373 70 HD1 TYR 10 HD1 TYR 10 5.982 14.196 -11.186 71 HD2 TYR 10 HD2 TYR 10 9.219 11.948 -9.584 72 HE1 TYR 10 HE1 TYR 10 7.525 16.026 -11.752 73 HE2 TYR 10 HE2 TYR 10 10.771 13.772 -10.144 74 HH TYR 10 HH TYR 10 10.703 15.742 -11.994 75 H ILE 11 H ILE 11 7.960 9.519 -11.469 76 HA ILE 11 HA ILE 11 9.327 11.004 -13.529 77 HB ILE 11 HB ILE 11 9.970 8.302 -12.342 78 HG12 ILE 11 2HG1 ILE 11 9.997 10.227 -10.741 79 HG13 ILE 11 3HG1 ILE 11 11.565 9.457 -10.953 80 HG21 ILE 11 1HG2 ILE 11 11.290 8.171 -14.157 81 HG22 ILE 11 2HG2 ILE 11 11.194 9.901 -14.478 82 HG23 ILE 11 3HG2 ILE 11 12.317 9.292 -13.263 83 HD11 ILE 11 1HD1 ILE 11 10.806 11.884 -12.528 84 HD12 ILE 11 2HD1 ILE 11 11.466 12.007 -10.897 85 HD13 ILE 11 3HD1 ILE 11 12.410 11.244 -12.175 86 H ASP 12 H ASP 12 7.608 7.917 -13.289 87 HA ASP 12 HA ASP 12 8.098 7.044 -15.921 88 HB2 ASP 12 2HB ASP 12 7.247 5.611 -14.055 89 HB3 ASP 12 3HB ASP 12 5.685 6.411 -14.212 90 H LYS 13 H LYS 13 5.678 9.172 -14.546 91 HA LYS 13 HA LYS 13 4.134 9.295 -16.986 92 HB2 LYS 13 2HB LYS 13 2.625 10.642 -15.812 93 HB3 LYS 13 3HB LYS 13 3.246 9.548 -14.583 94 HG2 LYS 13 2HG LYS 13 3.477 11.453 -13.412 95 HG3 LYS 13 3HG LYS 13 4.992 11.566 -14.310 96 HD2 LYS 13 2HD LYS 13 3.945 13.682 -14.502 97 HD3 LYS 13 3HD LYS 13 3.716 12.875 -16.055 98 HE2 LYS 13 2HE LYS 13 1.540 13.288 -15.842 99 HE3 LYS 13 3HE LYS 13 1.518 12.112 -14.529 100 HZ1 LYS 13 1HZ LYS 13 2.465 14.570 -13.548 101 HZ2 LYS 13 2HZ LYS 13 1.063 13.731 -13.112 102 HZ3 LYS 13 3HZ LYS 13 1.020 14.847 -14.382 103 H GLN 14 H GLN 14 6.723 11.050 -15.487 104 HA GLN 14 HA GLN 14 6.434 13.308 -17.303 105 HB2 GLN 14 2HB GLN 14 8.249 12.726 -14.976 106 HB3 GLN 14 3HB GLN 14 8.552 14.078 -16.060 107 HG2 GLN 14 2HG GLN 14 5.939 13.697 -14.632 108 HG3 GLN 14 3HG GLN 14 7.291 14.591 -13.938 109 HE21 GLN 14 1HE2 GLN 14 5.005 14.479 -16.594 110 HE22 GLN 14 2HE2 GLN 14 5.091 16.159 -16.988 111 H LEU 15 H LEU 15 7.855 10.292 -17.339 112 HA LEU 15 HA LEU 15 10.041 11.133 -19.108 113 HB2 LEU 15 2HB LEU 15 10.694 9.688 -17.280 114 HB3 LEU 15 3HB LEU 15 9.484 8.498 -17.754 115 HG LEU 15 HG LEU 15 11.469 9.149 -19.826 116 HD11 LEU 15 1HD1 LEU 15 12.248 7.977 -17.183 117 HD12 LEU 15 2HD1 LEU 15 13.071 9.206 -18.142 118 HD13 LEU 15 3HD1 LEU 15 13.087 7.523 -18.667 119 HD21 LEU 15 1HD2 LEU 15 10.730 6.459 -18.728 120 HD22 LEU 15 2HD2 LEU 15 11.249 6.891 -20.358 121 HD23 LEU 15 3HD2 LEU 15 9.639 7.344 -19.795 122 H LEU 16 H LEU 16 6.895 10.034 -19.238 123 HA LEU 16 HA LEU 16 7.075 8.291 -21.493 124 HB2 LEU 16 2HB LEU 16 5.042 9.260 -19.724 125 HB3 LEU 16 3HB LEU 16 4.505 9.441 -21.393 126 HG LEU 16 HG LEU 16 3.744 7.336 -20.397 127 HD11 LEU 16 1HD1 LEU 16 3.891 7.160 -22.696 128 HD12 LEU 16 2HD1 LEU 16 4.889 5.811 -22.154 129 HD13 LEU 16 3HD1 LEU 16 5.649 7.305 -22.700 130 HD21 LEU 16 1HD2 LEU 16 6.483 7.219 -19.510 131 HD22 LEU 16 2HD2 LEU 16 6.045 5.757 -20.394 132 HD23 LEU 16 3HD2 LEU 16 5.093 6.262 -18.997 133 HA PRO 17 HA PRO 17 5.813 12.476 -23.672 134 HB2 PRO 17 2HB PRO 17 7.002 14.654 -22.570 135 HB3 PRO 17 3HB PRO 17 5.395 14.094 -22.095 136 HG2 PRO 17 2HG PRO 17 8.030 13.648 -20.747 137 HG3 PRO 17 3HG PRO 17 6.462 14.061 -20.029 138 HD2 PRO 17 2HD PRO 17 7.445 11.538 -20.031 139 HD3 PRO 17 3HD PRO 17 5.706 11.885 -20.120 140 H ILE 18 H ILE 18 8.984 12.253 -22.087 141 HA ILE 18 HA ILE 18 10.372 13.270 -24.401 142 HB ILE 18 HB ILE 18 12.422 12.806 -23.151 143 HG12 ILE 18 2HG1 ILE 18 10.601 11.665 -21.020 144 HG13 ILE 18 3HG1 ILE 18 11.635 10.708 -22.075 145 HG21 ILE 18 1HG2 ILE 18 12.171 14.666 -21.932 146 HG22 ILE 18 2HG2 ILE 18 10.525 14.684 -22.561 147 HG23 ILE 18 3HG2 ILE 18 10.857 13.977 -20.980 148 HD11 ILE 18 1HD1 ILE 18 13.397 11.040 -20.774 149 HD12 ILE 18 2HD1 ILE 18 13.122 12.781 -20.722 150 HD13 ILE 18 3HD1 ILE 18 12.284 11.722 -19.589 151 H VAL 19 H VAL 19 9.432 10.180 -23.161 152 HA VAL 19 HA VAL 19 11.307 8.683 -24.771 153 HB VAL 19 HB VAL 19 10.244 7.975 -22.506 154 HG11 VAL 19 1HG1 VAL 19 8.137 6.955 -24.407 155 HG12 VAL 19 2HG1 VAL 19 8.224 6.669 -22.668 156 HG13 VAL 19 3HG1 VAL 19 7.913 8.294 -23.281 157 HG21 VAL 19 1HG2 VAL 19 11.725 6.645 -24.115 158 HG22 VAL 19 2HG2 VAL 19 10.746 5.733 -22.966 159 HG23 VAL 19 3HG2 VAL 19 10.232 5.871 -24.648 160 H ASN 20 H ASN 20 7.841 9.417 -24.832 161 HA ASN 20 HA ASN 20 7.422 7.936 -27.270 162 HB2 ASN 20 2HB ASN 20 5.705 8.300 -25.403 163 HB3 ASN 20 3HB ASN 20 5.510 9.925 -26.054 164 HD21 ASN 20 1HD2 ASN 20 5.678 6.588 -27.257 165 HD22 ASN 20 2HD2 ASN 20 4.342 6.734 -28.343 166 H LYS 21 H LYS 21 8.712 10.924 -26.547 167 HA LYS 21 HA LYS 21 7.651 12.542 -28.607 168 HB2 LYS 21 2HB LYS 21 9.718 12.733 -26.602 169 HB3 LYS 21 3HB LYS 21 10.296 13.375 -28.134 170 HG2 LYS 21 2HG LYS 21 8.567 14.982 -28.224 171 HG3 LYS 21 3HG LYS 21 7.683 14.207 -26.907 172 HD2 LYS 21 2HD LYS 21 9.040 15.085 -25.297 173 HD3 LYS 21 3HD LYS 21 10.455 15.114 -26.353 174 HE2 LYS 21 2HE LYS 21 8.917 16.920 -27.608 175 HE3 LYS 21 3HE LYS 21 8.327 17.130 -25.960 176 HZ1 LYS 21 1HZ LYS 21 10.643 18.172 -27.072 177 HZ2 LYS 21 2HZ LYS 21 11.145 17.004 -25.957 178 HZ3 LYS 21 3HZ LYS 21 10.140 18.271 -25.460 179 H ALA 22 H ALA 22 10.570 10.526 -28.430 180 HA ALA 22 HA ALA 22 11.209 11.054 -31.208 181 HB1 ALA 22 1HB ALA 22 12.548 9.098 -29.351 182 HB2 ALA 22 2HB ALA 22 13.194 9.789 -30.839 183 HB3 ALA 22 3HB ALA 22 12.951 10.814 -29.424 184 H GLY 23 H GLY 23 9.915 8.425 -29.248 185 HA2 GLY 23 2HA GLY 23 8.331 7.260 -31.138 186 HA3 GLY 23 3HA GLY 23 9.907 6.533 -31.415 187 H CYS 24 H CYS 24 10.902 5.361 -29.648 188 HA CYS 24 HA CYS 24 9.860 4.783 -27.191 189 HB2 CYS 24 2HB CYS 24 8.199 3.686 -29.271 190 HB3 CYS 24 3HB CYS 24 8.905 2.382 -28.322 191 H SER 25 H SER 25 12.029 4.512 -26.754 192 HA SER 25 HA SER 25 13.616 2.569 -28.162 193 HB2 SER 25 2HB SER 25 14.481 3.689 -25.532 194 HB3 SER 25 3HB SER 25 15.422 3.404 -26.995 195 HG SER 25 HG SER 25 13.821 5.179 -27.791 196 H ARG 26 H ARG 26 15.091 1.375 -26.166 197 HA ARG 26 HA ARG 26 13.332 -0.755 -25.392 198 HB2 ARG 26 2HB ARG 26 15.405 -1.726 -24.374 199 HB3 ARG 26 3HB ARG 26 15.549 -1.341 -26.084 200 HG2 ARG 26 2HG ARG 26 16.407 0.962 -24.834 201 HG3 ARG 26 3HG ARG 26 17.045 -0.331 -23.816 202 HD2 ARG 26 2HD ARG 26 17.341 -0.366 -26.804 203 HD3 ARG 26 3HD ARG 26 18.493 0.472 -25.765 204 HE ARG 26 HE ARG 26 18.227 -2.101 -24.767 205 HH11 ARG 26 1HH1 ARG 26 19.327 -0.562 -27.689 206 HH12 ARG 26 2HH1 ARG 26 20.473 -1.805 -28.067 207 HH21 ARG 26 1HH2 ARG 26 19.732 -3.745 -25.254 208 HH22 ARG 26 2HH2 ARG 26 20.701 -3.616 -26.682 209 HA PRO 27 HA PRO 27 12.264 0.546 -21.333 210 HB2 PRO 27 2HB PRO 27 11.947 -1.864 -20.124 211 HB3 PRO 27 3HB PRO 27 10.796 -1.221 -21.301 212 HG2 PRO 27 2HG PRO 27 12.989 -3.220 -21.695 213 HG3 PRO 27 3HG PRO 27 11.329 -3.242 -22.319 214 HD2 PRO 27 2HD PRO 27 13.444 -2.483 -23.830 215 HD3 PRO 27 3HD PRO 27 11.823 -1.789 -24.039 216 H GLU 28 H GLU 28 14.906 -1.736 -21.750 217 HA GLU 28 HA GLU 28 15.902 -1.630 -19.106 218 HB2 GLU 28 2HB GLU 28 16.476 -3.363 -20.837 219 HB3 GLU 28 3HB GLU 28 17.493 -2.159 -21.617 220 HG2 GLU 28 2HG GLU 28 18.964 -3.419 -20.330 221 HG3 GLU 28 3HG GLU 28 18.689 -1.960 -19.379 222 H GLU 29 H GLU 29 16.600 0.253 -22.014 223 HA GLU 29 HA GLU 29 18.686 1.783 -20.780 224 HB2 GLU 29 2HB GLU 29 18.855 1.578 -23.122 225 HB3 GLU 29 3HB GLU 29 17.171 2.017 -23.368 226 HG2 GLU 29 2HG GLU 29 18.652 3.808 -24.057 227 HG3 GLU 29 3HG GLU 29 17.653 4.304 -22.692 228 H VAL 30 H VAL 30 15.234 2.108 -21.182 229 HA VAL 30 HA VAL 30 14.952 4.846 -20.661 230 HB VAL 30 HB VAL 30 13.078 2.551 -20.088 231 HG11 VAL 30 1HG1 VAL 30 11.546 4.835 -20.300 232 HG12 VAL 30 2HG1 VAL 30 11.933 3.977 -18.807 233 HG13 VAL 30 3HG1 VAL 30 12.917 5.350 -19.317 234 HG21 VAL 30 1HG2 VAL 30 12.278 2.806 -22.181 235 HG22 VAL 30 2HG2 VAL 30 12.479 4.558 -22.160 236 HG23 VAL 30 3HG2 VAL 30 13.863 3.515 -22.486 237 H GLU 31 H GLU 31 15.289 2.087 -18.502 238 HA GLU 31 HA GLU 31 14.571 3.285 -16.093 239 HB2 GLU 31 2HB GLU 31 15.897 0.877 -16.936 240 HB3 GLU 31 3HB GLU 31 16.733 1.554 -15.545 241 HG2 GLU 31 2HG GLU 31 14.899 1.326 -14.162 242 HG3 GLU 31 3HG GLU 31 13.762 1.268 -15.508 243 H GLU 32 H GLU 32 17.591 3.400 -17.889 244 HA GLU 32 HA GLU 32 19.184 4.574 -15.882 245 HB2 GLU 32 2HB GLU 32 19.544 3.730 -18.523 246 HB3 GLU 32 3HB GLU 32 19.908 5.450 -18.548 247 HG2 GLU 32 2HG GLU 32 21.421 5.001 -16.557 248 HG3 GLU 32 3HG GLU 32 21.230 3.292 -16.942 249 H ARG 33 H ARG 33 16.998 5.928 -18.276 250 HA ARG 33 HA ARG 33 17.762 8.640 -17.900 251 HB2 ARG 33 2HB ARG 33 15.243 7.401 -19.017 252 HB3 ARG 33 3HB ARG 33 15.572 9.129 -19.030 253 HG2 ARG 33 2HG ARG 33 17.674 7.416 -20.179 254 HG3 ARG 33 3HG ARG 33 16.150 7.479 -21.066 255 HD2 ARG 33 2HD ARG 33 17.285 10.049 -20.123 256 HD3 ARG 33 3HD ARG 33 18.117 9.239 -21.449 257 HE ARG 33 HE ARG 33 15.619 10.603 -21.577 258 HH11 ARG 33 1HH1 ARG 33 17.427 7.945 -22.914 259 HH12 ARG 33 2HH1 ARG 33 16.583 7.962 -24.427 260 HH21 ARG 33 1HH2 ARG 33 14.500 10.635 -23.565 261 HH22 ARG 33 2HH2 ARG 33 14.919 9.493 -24.796 262 H ILE 34 H ILE 34 15.497 6.500 -16.319 263 HA ILE 34 HA ILE 34 13.906 8.375 -14.992 264 HB ILE 34 HB ILE 34 14.748 5.656 -13.979 265 HG12 ILE 34 2HG1 ILE 34 12.401 6.500 -15.693 266 HG13 ILE 34 3HG1 ILE 34 13.753 5.491 -16.196 267 HG21 ILE 34 1HG2 ILE 34 12.094 6.551 -13.266 268 HG22 ILE 34 2HG2 ILE 34 13.397 5.957 -12.238 269 HG23 ILE 34 3HG2 ILE 34 13.332 7.663 -12.682 270 HD11 ILE 34 1HD1 ILE 34 11.722 4.772 -14.096 271 HD12 ILE 34 2HD1 ILE 34 11.749 4.179 -15.757 272 HD13 ILE 34 3HD1 ILE 34 13.054 3.758 -14.648 273 H ARG 35 H ARG 35 17.050 7.015 -14.160 274 HA ARG 35 HA ARG 35 17.210 8.049 -11.542 275 HB2 ARG 35 2HB ARG 35 19.085 6.879 -13.504 276 HB3 ARG 35 3HB ARG 35 19.811 7.930 -12.296 277 HG2 ARG 35 2HG ARG 35 17.921 5.823 -11.388 278 HG3 ARG 35 3HG ARG 35 19.546 5.350 -11.889 279 HD2 ARG 35 2HD ARG 35 19.792 7.630 -10.229 280 HD3 ARG 35 3HD ARG 35 18.694 6.508 -9.427 281 HE ARG 35 HE ARG 35 20.771 4.940 -10.205 282 HH11 ARG 35 1HH1 ARG 35 20.508 7.879 -8.358 283 HH12 ARG 35 2HH1 ARG 35 21.899 7.543 -7.380 284 HH21 ARG 35 1HH2 ARG 35 22.603 4.486 -8.924 285 HH22 ARG 35 2HH2 ARG 35 23.090 5.613 -7.704 286 H ARG 36 H ARG 36 17.996 9.400 -14.688 287 HA ARG 36 HA ARG 36 19.455 11.639 -13.836 288 HB2 ARG 36 2HB ARG 36 19.474 11.030 -16.154 289 HB3 ARG 36 3HB ARG 36 17.727 11.193 -16.270 290 HG2 ARG 36 2HG ARG 36 17.830 13.537 -16.160 291 HG3 ARG 36 3HG ARG 36 19.503 13.516 -15.600 292 HD2 ARG 36 2HD ARG 36 19.456 12.132 -18.051 293 HD3 ARG 36 3HD ARG 36 18.487 13.588 -18.278 294 HE ARG 36 HE ARG 36 21.332 13.439 -17.883 295 HH11 ARG 36 1HH1 ARG 36 18.498 15.443 -17.612 296 HH12 ARG 36 2HH1 ARG 36 19.382 16.931 -17.699 297 HH21 ARG 36 1HH2 ARG 36 22.507 15.391 -17.999 298 HH22 ARG 36 2HH2 ARG 36 21.662 16.900 -17.920 299 H ALA 37 H ALA 37 15.979 11.255 -14.472 300 HA ALA 37 HA ALA 37 15.258 13.912 -13.862 301 HB1 ALA 37 1HB ALA 37 12.965 12.723 -13.396 302 HB2 ALA 37 2HB ALA 37 13.611 12.834 -15.034 303 HB3 ALA 37 3HB ALA 37 13.784 11.337 -14.118 304 H LEU 38 H LEU 38 15.777 11.083 -11.878 305 HA LEU 38 HA LEU 38 14.467 11.921 -9.543 306 HB2 LEU 38 2HB LEU 38 15.039 9.783 -9.215 307 HB3 LEU 38 3HB LEU 38 16.429 9.893 -10.293 308 HG LEU 38 HG LEU 38 17.642 11.034 -8.374 309 HD11 LEU 38 1HD1 LEU 38 16.241 9.818 -6.261 310 HD12 LEU 38 2HD1 LEU 38 15.056 10.734 -7.191 311 HD13 LEU 38 3HD1 LEU 38 16.488 11.540 -6.552 312 HD21 LEU 38 1HD2 LEU 38 18.516 8.977 -8.565 313 HD22 LEU 38 2HD2 LEU 38 16.936 8.206 -8.706 314 HD23 LEU 38 3HD2 LEU 38 17.573 8.627 -7.116 315 H LYS 39 H LYS 39 17.527 12.813 -10.927 316 HA LYS 39 HA LYS 39 18.880 13.804 -8.717 317 HB2 LYS 39 2HB LYS 39 20.277 14.906 -10.211 318 HB3 LYS 39 3HB LYS 39 19.608 13.616 -11.202 319 HG2 LYS 39 2HG LYS 39 19.153 15.230 -12.669 320 HG3 LYS 39 3HG LYS 39 17.807 15.631 -11.600 321 HD2 LYS 39 2HD LYS 39 20.278 16.824 -10.684 322 HD3 LYS 39 3HD LYS 39 19.911 17.297 -12.345 323 HE2 LYS 39 2HE LYS 39 17.476 17.557 -11.185 324 HE3 LYS 39 3HE LYS 39 18.531 17.960 -9.831 325 HZ1 LYS 39 1HZ LYS 39 19.631 19.364 -11.839 326 HZ2 LYS 39 2HZ LYS 39 18.513 19.990 -10.736 327 HZ3 LYS 39 3HZ LYS 39 17.991 19.441 -12.248 328 H LYS 40 H LYS 40 16.091 15.038 -10.335 329 HA LYS 40 HA LYS 40 16.229 17.745 -9.639 330 HB2 LYS 40 2HB LYS 40 14.588 16.718 -11.225 331 HB3 LYS 40 3HB LYS 40 13.727 16.061 -9.839 332 HG2 LYS 40 2HG LYS 40 13.310 18.328 -9.024 333 HG3 LYS 40 3HG LYS 40 14.169 18.984 -10.420 334 HD2 LYS 40 2HD LYS 40 12.350 18.813 -11.693 335 HD3 LYS 40 3HD LYS 40 12.150 17.112 -11.265 336 HE2 LYS 40 2HE LYS 40 11.234 19.432 -9.570 337 HE3 LYS 40 3HE LYS 40 10.198 18.523 -10.668 338 HZ1 LYS 40 1HZ LYS 40 11.449 16.645 -9.087 339 HZ2 LYS 40 2HZ LYS 40 9.833 17.134 -8.998 340 HZ3 LYS 40 3HZ LYS 40 10.997 17.881 -8.024 341 H MET 41 H MET 41 15.665 14.960 -7.712 342 HA MET 41 HA MET 41 14.580 16.569 -5.514 343 HB2 MET 41 2HB MET 41 14.953 13.590 -5.434 344 HB3 MET 41 3HB MET 41 13.815 14.583 -4.533 345 HG2 MET 41 2HG MET 41 13.080 15.054 -7.125 346 HG3 MET 41 3HG MET 41 13.567 13.361 -7.165 347 HE1 MET 41 1HE MET 41 11.997 15.787 -4.708 348 HE2 MET 41 2HE MET 41 10.642 15.852 -5.835 349 HE3 MET 41 3HE MET 41 10.448 15.070 -4.265 350 H GLY 42 H GLY 42 17.443 14.979 -6.589 351 HA2 GLY 42 2HA GLY 42 19.571 14.985 -5.715 352 HA3 GLY 42 3HA GLY 42 18.999 16.107 -4.490 353 H ASP 43 H ASP 43 16.959 13.559 -4.327 354 HA ASP 43 HA ASP 43 18.592 12.239 -2.260 355 HB2 ASP 43 2HB ASP 43 15.846 13.240 -2.254 356 HB3 ASP 43 3HB ASP 43 15.967 11.570 -1.706 357 H THR 44 H THR 44 19.458 10.791 -3.838 358 HA THR 44 HA THR 44 17.616 8.982 -5.178 359 HB THR 44 HB THR 44 19.433 8.183 -6.422 360 HG1 THR 44 HG1 THR 44 21.002 9.107 -4.251 361 HG21 THR 44 1HG2 THR 44 20.432 10.959 -5.881 362 HG22 THR 44 2HG2 THR 44 18.868 10.699 -6.653 363 HG23 THR 44 3HG2 THR 44 20.338 10.089 -7.411 364 H SER 45 H SER 45 18.355 9.126 -2.144 365 HA SER 45 HA SER 45 19.525 6.589 -1.564 366 HB2 SER 45 2HB SER 45 17.834 8.219 0.330 367 HB3 SER 45 3HB SER 45 19.140 7.101 0.724 368 HG SER 45 HG SER 45 19.453 9.586 0.594 369 H CYS 46 H CYS 46 16.211 7.842 -1.583 370 HA CYS 46 HA CYS 46 15.152 5.201 -0.961 371 HB2 CYS 46 2HB CYS 46 14.188 7.237 0.099 372 HB3 CYS 46 3HB CYS 46 13.669 7.783 -1.492 373 H PHE 47 H PHE 47 15.724 7.238 -3.675 374 HA PHE 47 HA PHE 47 13.787 6.091 -5.426 375 HB2 PHE 47 2HB PHE 47 15.075 8.353 -5.617 376 HB3 PHE 47 3HB PHE 47 16.318 7.379 -6.395 377 HD1 PHE 47 HD1 PHE 47 13.198 9.077 -6.799 378 HD2 PHE 47 HD2 PHE 47 15.683 6.038 -8.443 379 HE1 PHE 47 HE1 PHE 47 11.982 9.241 -8.931 380 HE2 PHE 47 HE2 PHE 47 14.472 6.198 -10.579 381 HZ PHE 47 HZ PHE 47 12.619 7.801 -10.825 382 H ASP 48 H ASP 48 17.082 5.335 -4.548 383 HA ASP 48 HA ASP 48 17.830 3.682 -6.649 384 HB2 ASP 48 2HB ASP 48 18.741 4.225 -3.974 385 HB3 ASP 48 3HB ASP 48 18.838 2.495 -4.295 386 H GLU 49 H GLU 49 15.785 3.013 -3.870 387 HA GLU 49 HA GLU 49 15.619 0.194 -4.388 388 HB2 GLU 49 2HB GLU 49 14.330 2.096 -2.482 389 HB3 GLU 49 3HB GLU 49 13.566 0.536 -2.755 390 HG2 GLU 49 2HG GLU 49 16.407 0.267 -2.293 391 HG3 GLU 49 3HG GLU 49 15.600 1.102 -0.967 392 H ILE 50 H ILE 50 13.502 2.991 -4.903 393 HA ILE 50 HA ILE 50 11.360 1.515 -6.032 394 HB ILE 50 HB ILE 50 10.346 3.555 -6.531 395 HG12 ILE 50 2HG1 ILE 50 12.025 5.670 -6.388 396 HG13 ILE 50 3HG1 ILE 50 13.126 4.451 -7.021 397 HG21 ILE 50 1HG2 ILE 50 11.420 3.167 -4.056 398 HG22 ILE 50 2HG2 ILE 50 11.975 4.796 -4.442 399 HG23 ILE 50 3HG2 ILE 50 10.252 4.422 -4.467 400 HD11 ILE 50 1HD1 ILE 50 12.332 5.272 -8.973 401 HD12 ILE 50 2HD1 ILE 50 11.101 4.043 -8.681 402 HD13 ILE 50 3HD1 ILE 50 10.776 5.729 -8.279 403 H LEU 51 H LEU 51 14.303 2.849 -7.323 404 HA LEU 51 HA LEU 51 13.694 3.020 -10.026 405 HB2 LEU 51 2HB LEU 51 15.901 3.340 -10.333 406 HB3 LEU 51 3HB LEU 51 15.899 3.463 -8.575 407 HG LEU 51 HG LEU 51 16.413 0.918 -8.651 408 HD11 LEU 51 1HD1 LEU 51 16.985 -0.044 -10.585 409 HD12 LEU 51 2HD1 LEU 51 17.885 1.371 -11.132 410 HD13 LEU 51 3HD1 LEU 51 16.135 1.303 -11.343 411 HD21 LEU 51 1HD2 LEU 51 18.372 1.655 -7.920 412 HD22 LEU 51 2HD2 LEU 51 17.988 3.254 -8.558 413 HD23 LEU 51 3HD2 LEU 51 18.855 2.089 -9.560 414 H LYS 52 H LYS 52 14.416 0.221 -8.049 415 HA LYS 52 HA LYS 52 14.769 -1.606 -10.207 416 HB2 LYS 52 2HB LYS 52 14.604 -1.740 -7.275 417 HB3 LYS 52 3HB LYS 52 13.988 -3.167 -8.098 418 HG2 LYS 52 2HG LYS 52 16.099 -3.865 -8.120 419 HG3 LYS 52 3HG LYS 52 16.347 -2.688 -9.412 420 HD2 LYS 52 2HD LYS 52 16.959 -1.004 -7.705 421 HD3 LYS 52 3HD LYS 52 16.802 -2.246 -6.461 422 HE2 LYS 52 2HE LYS 52 18.983 -2.610 -6.811 423 HE3 LYS 52 3HE LYS 52 18.462 -3.447 -8.273 424 HZ1 LYS 52 1HZ LYS 52 20.058 -1.171 -8.078 425 HZ2 LYS 52 2HZ LYS 52 18.607 -0.694 -8.804 426 HZ3 LYS 52 3HZ LYS 52 19.520 -1.946 -9.482 427 H GLY 53 H GLY 53 12.030 -0.785 -8.103 428 HA2 GLY 53 2HA GLY 53 10.262 -2.661 -9.370 429 HA3 GLY 53 3HA GLY 53 9.810 -1.420 -8.210 430 H LEU 54 H LEU 54 11.362 0.451 -10.180 431 HA LEU 54 HA LEU 54 9.001 1.325 -11.557 432 HB2 LEU 54 2HB LEU 54 11.232 2.573 -10.629 433 HB3 LEU 54 3HB LEU 54 11.577 2.486 -12.356 434 HG LEU 54 HG LEU 54 9.144 3.768 -11.112 435 HD11 LEU 54 1HD1 LEU 54 10.613 5.408 -10.685 436 HD12 LEU 54 2HD1 LEU 54 10.487 5.730 -12.414 437 HD13 LEU 54 3HD1 LEU 54 11.821 4.758 -11.794 438 HD21 LEU 54 1HD2 LEU 54 10.053 3.427 -13.957 439 HD22 LEU 54 2HD2 LEU 54 8.915 4.683 -13.470 440 HD23 LEU 54 3HD2 LEU 54 8.505 2.983 -13.238 441 H LYS 55 H LYS 55 9.812 -1.282 -12.330 442 HA LYS 55 HA LYS 55 10.903 -0.933 -15.025 443 HB2 LYS 55 2HB LYS 55 10.757 -3.523 -14.962 444 HB3 LYS 55 3HB LYS 55 12.002 -2.717 -14.016 445 HG2 LYS 55 2HG LYS 55 10.943 -4.513 -12.758 446 HG3 LYS 55 3HG LYS 55 10.648 -2.942 -12.009 447 HD2 LYS 55 2HD LYS 55 8.418 -2.873 -12.872 448 HD3 LYS 55 3HD LYS 55 8.703 -4.303 -13.866 449 HE2 LYS 55 2HE LYS 55 9.236 -5.437 -11.578 450 HE3 LYS 55 3HE LYS 55 8.318 -4.089 -10.910 451 HZ1 LYS 55 1HZ LYS 55 7.391 -6.409 -12.321 452 HZ2 LYS 55 2HZ LYS 55 6.751 -4.971 -12.939 453 HZ3 LYS 55 3HZ LYS 55 6.545 -5.354 -11.304 454 H GLU 56 H GLU 56 8.167 -0.115 -14.199 455 HA GLU 56 HA GLU 56 6.600 -1.879 -15.961 456 HB2 GLU 56 2HB GLU 56 5.619 0.010 -13.814 457 HB3 GLU 56 3HB GLU 56 4.603 -1.015 -14.819 458 HG2 GLU 56 2HG GLU 56 5.777 -2.993 -13.863 459 HG3 GLU 56 3HG GLU 56 6.604 -1.899 -12.756 460 H ILE 57 H ILE 57 7.949 -0.422 -17.536 461 HA ILE 57 HA ILE 57 6.972 2.239 -17.949 462 HB ILE 57 HB ILE 57 9.249 1.571 -18.620 463 HG12 ILE 57 2HG1 ILE 57 8.852 2.367 -21.164 464 HG13 ILE 57 3HG1 ILE 57 7.287 2.792 -20.480 465 HG21 ILE 57 1HG2 ILE 57 9.633 0.180 -20.550 466 HG22 ILE 57 2HG2 ILE 57 8.660 -0.708 -19.379 467 HG23 ILE 57 3HG2 ILE 57 7.898 -0.005 -20.806 468 HD11 ILE 57 1HD1 ILE 57 9.611 4.299 -20.409 469 HD12 ILE 57 2HD1 ILE 57 8.129 4.588 -19.498 470 HD13 ILE 57 3HD1 ILE 57 9.442 3.660 -18.774 471 H LYS 58 H LYS 58 5.315 2.914 -19.160 472 HA LYS 58 HA LYS 58 3.867 0.899 -20.746 473 HB2 LYS 58 2HB LYS 58 2.941 3.276 -19.162 474 HB3 LYS 58 3HB LYS 58 1.953 2.642 -20.472 475 HG2 LYS 58 2HG LYS 58 1.842 0.481 -19.380 476 HG3 LYS 58 3HG LYS 58 2.901 1.058 -18.091 477 HD2 LYS 58 2HD LYS 58 0.542 2.735 -18.562 478 HD3 LYS 58 3HD LYS 58 0.174 1.098 -18.015 479 HE2 LYS 58 2HE LYS 58 1.920 1.498 -16.198 480 HE3 LYS 58 3HE LYS 58 1.835 3.199 -16.651 481 HZ1 LYS 58 1HZ LYS 58 0.209 1.925 -14.870 482 HZ2 LYS 58 2HZ LYS 58 -0.753 2.050 -16.256 483 HZ3 LYS 58 3HZ LYS 58 -0.076 3.440 -15.568 484 H CYS 59 H CYS 59 5.986 1.991 -22.012 485 HA CYS 59 HA CYS 59 5.765 4.375 -23.347 486 HB2 CYS 59 2HB CYS 59 7.561 2.441 -23.455 487 HB3 CYS 59 3HB CYS 59 6.659 1.980 -24.895 488 H GLY 60 H GLY 60 5.234 4.725 -25.692 489 HA2 GLY 60 2HA GLY 60 2.544 4.463 -26.191 490 HA3 GLY 60 3HA GLY 60 3.749 4.703 -27.448 491 H GLY 61 H GLY 61 1.504 3.309 -28.059 492 HA2 GLY 61 2HA GLY 61 1.556 0.545 -27.637 493 HA3 GLY 61 3HA GLY 61 0.805 1.342 -29.011 494 H SER 62 H SER 62 3.631 2.492 -29.536 495 HA SER 62 HA SER 62 4.374 0.436 -31.406 496 HB2 SER 62 2HB SER 62 5.840 3.004 -30.764 497 HB3 SER 62 3HB SER 62 6.023 2.012 -32.210 498 HG SER 62 HG SER 62 4.167 2.754 -32.979 499 H TRP 63 H TRP 63 4.640 -0.956 -29.286 500 HA TRP 63 HA TRP 63 7.307 -0.682 -28.141 501 HB2 TRP 63 2HB TRP 63 4.805 -1.892 -27.316 502 HB3 TRP 63 3HB TRP 63 6.144 -3.026 -27.152 503 HD1 TRP 63 HD1 TRP 63 4.388 -1.033 -24.933 504 HE1 TRP 63 HE1 TRP 63 5.837 0.025 -23.087 505 HE3 TRP 63 HE3 TRP 63 8.987 -1.576 -27.098 506 HZ2 TRP 63 HZ2 TRP 63 8.567 0.560 -22.612 507 HZ3 TRP 63 HZ3 TRP 63 10.967 -0.764 -25.882 508 HH2 TRP 63 HH2 TRP 63 10.759 0.282 -23.686 509 H LEU 64 H LEU 64 8.936 -1.500 -29.279 510 HA LEU 64 HA LEU 64 8.600 -4.171 -30.466 511 HB2 LEU 64 2HB LEU 64 9.820 -1.716 -31.683 512 HB3 LEU 64 3HB LEU 64 10.272 -3.331 -32.225 513 HG LEU 64 HG LEU 64 7.692 -3.617 -32.562 514 HD11 LEU 64 1HD1 LEU 64 6.853 -1.319 -33.430 515 HD12 LEU 64 2HD1 LEU 64 8.056 -0.662 -32.320 516 HD13 LEU 64 3HD1 LEU 64 6.759 -1.687 -31.707 517 HD21 LEU 64 1HD2 LEU 64 7.979 -3.148 -34.828 518 HD22 LEU 64 2HD2 LEU 64 9.612 -3.500 -34.261 519 HD23 LEU 64 3HD2 LEU 64 9.105 -1.828 -34.510 520 H GLU 65 H GLU 65 9.618 -3.739 -27.925 521 HA GLU 65 HA GLU 65 12.495 -3.642 -28.022 522 HB2 GLU 65 2HB GLU 65 12.332 -4.182 -25.593 523 HB3 GLU 65 3HB GLU 65 11.415 -2.758 -26.066 524 HG2 GLU 65 2HG GLU 65 9.686 -3.651 -25.012 525 HG3 GLU 65 3HG GLU 65 9.605 -4.837 -26.314 526 H HIS 66 H HIS 66 13.493 -5.522 -26.476 527 HA HIS 66 HA HIS 66 12.512 -8.144 -26.836 528 HB2 HIS 66 2HB HIS 66 13.408 -7.284 -29.198 529 HB3 HIS 66 3HB HIS 66 14.948 -7.796 -28.513 530 HD1 HIS 66 HD1 HIS 66 11.534 -9.469 -28.329 531 HD2 HIS 66 HD2 HIS 66 15.407 -10.213 -29.637 532 HE1 HIS 66 HE1 HIS 66 11.533 -11.860 -29.110 Start of MODEL 15 1 H1 ALA 1 H ALA 1 3.817 -2.099 -2.248 2 HA ALA 1 HA ALA 1 2.522 0.437 -1.517 3 HB1 ALA 1 1HB ALA 1 2.775 -0.516 0.845 4 HB2 ALA 1 2HB ALA 1 1.593 -1.273 -0.223 5 HB3 ALA 1 3HB ALA 1 3.156 -2.043 0.048 6 H SER 2 H SER 2 5.023 0.568 -2.778 7 HA SER 2 HA SER 2 7.191 0.695 -0.975 8 HB2 SER 2 2HB SER 2 7.491 2.577 -3.142 9 HB3 SER 2 3HB SER 2 8.340 1.056 -2.866 10 HG SER 2 HG SER 2 6.905 1.364 -4.838 11 HA PRO 3 HA PRO 3 6.500 4.453 1.195 12 HB2 PRO 3 2HB PRO 3 9.064 5.180 1.713 13 HB3 PRO 3 3HB PRO 3 8.260 3.839 2.537 14 HG2 PRO 3 2HG PRO 3 10.167 3.775 0.231 15 HG3 PRO 3 3HG PRO 3 10.106 2.729 1.662 16 HD2 PRO 3 2HD PRO 3 9.120 1.967 -0.742 17 HD3 PRO 3 3HD PRO 3 8.413 1.428 0.794 18 H CYS 4 H CYS 4 8.747 4.468 -1.522 19 HA CYS 4 HA CYS 4 8.108 7.311 -1.966 20 HB2 CYS 4 2HB CYS 4 10.626 5.746 -2.465 21 HB3 CYS 4 3HB CYS 4 10.293 7.228 -3.356 22 H ASP 5 H ASP 5 6.453 5.180 -2.846 23 HA ASP 5 HA ASP 5 6.940 4.452 -5.530 24 HB2 ASP 5 2HB ASP 5 4.707 3.632 -5.565 25 HB3 ASP 5 3HB ASP 5 5.301 3.367 -3.928 26 H LYS 6 H LYS 6 5.510 7.270 -4.055 27 HA LYS 6 HA LYS 6 4.163 8.315 -6.286 28 HB2 LYS 6 2HB LYS 6 4.387 10.508 -5.112 29 HB3 LYS 6 3HB LYS 6 3.739 9.222 -4.102 30 HG2 LYS 6 2HG LYS 6 6.362 8.988 -3.540 31 HG3 LYS 6 3HG LYS 6 6.262 10.717 -3.881 32 HD2 LYS 6 2HD LYS 6 4.193 9.515 -2.115 33 HD3 LYS 6 3HD LYS 6 5.816 9.742 -1.458 34 HE2 LYS 6 2HE LYS 6 5.730 12.064 -1.752 35 HE3 LYS 6 3HE LYS 6 4.373 11.961 -2.873 36 HZ1 LYS 6 1HZ LYS 6 2.988 11.206 -1.007 37 HZ2 LYS 6 2HZ LYS 6 3.614 12.757 -0.755 38 HZ3 LYS 6 3HZ LYS 6 4.291 11.431 0.048 39 H GLN 7 H GLN 7 7.529 8.377 -5.349 40 HA GLN 7 HA GLN 7 8.356 10.426 -7.126 41 HB2 GLN 7 2HB GLN 7 9.707 8.334 -5.499 42 HB3 GLN 7 3HB GLN 7 10.623 9.055 -6.815 43 HG2 GLN 7 2HG GLN 7 11.104 10.244 -4.803 44 HG3 GLN 7 3HG GLN 7 10.155 11.287 -5.861 45 HE21 GLN 7 1HE2 GLN 7 9.125 8.652 -3.744 46 HE22 GLN 7 2HE2 GLN 7 8.084 9.615 -2.757 47 H LYS 8 H LYS 8 7.890 6.977 -7.451 48 HA LYS 8 HA LYS 8 9.273 6.689 -9.922 49 HB2 LYS 8 2HB LYS 8 8.708 4.490 -9.791 50 HB3 LYS 8 3HB LYS 8 8.369 4.923 -8.121 51 HG2 LYS 8 2HG LYS 8 6.458 3.800 -8.652 52 HG3 LYS 8 3HG LYS 8 5.980 5.445 -9.077 53 HD2 LYS 8 2HD LYS 8 7.113 4.606 -11.399 54 HD3 LYS 8 3HD LYS 8 6.426 3.099 -10.791 55 HE2 LYS 8 2HE LYS 8 4.510 5.161 -10.414 56 HE3 LYS 8 3HE LYS 8 5.107 5.269 -12.069 57 HZ1 LYS 8 1HZ LYS 8 4.729 2.624 -11.773 58 HZ2 LYS 8 2HZ LYS 8 3.603 3.682 -12.462 59 HZ3 LYS 8 3HZ LYS 8 3.466 3.244 -10.834 60 H ASN 9 H ASN 9 5.982 7.498 -9.027 61 HA ASN 9 HA ASN 9 4.930 7.250 -11.682 62 HB2 ASN 9 2HB ASN 9 3.495 6.988 -9.701 63 HB3 ASN 9 3HB ASN 9 3.792 8.668 -9.262 64 HD21 ASN 9 1HD2 ASN 9 1.810 9.512 -9.465 65 HD22 ASN 9 2HD2 ASN 9 0.892 9.527 -10.929 66 H TYR 10 H TYR 10 6.115 9.892 -9.667 67 HA TYR 10 HA TYR 10 5.360 12.017 -11.344 68 HB2 TYR 10 2HB TYR 10 5.983 12.724 -9.230 69 HB3 TYR 10 3HB TYR 10 7.387 11.664 -9.172 70 HD1 TYR 10 HD1 TYR 10 9.495 12.569 -9.498 71 HD2 TYR 10 HD2 TYR 10 6.104 14.664 -10.987 72 HE1 TYR 10 HE1 TYR 10 10.946 14.447 -10.143 73 HE2 TYR 10 HE2 TYR 10 7.546 16.547 -11.637 74 HH TYR 10 HH TYR 10 10.896 16.333 -11.785 75 H ILE 11 H ILE 11 8.254 9.999 -11.256 76 HA ILE 11 HA ILE 11 9.571 11.480 -13.345 77 HB ILE 11 HB ILE 11 10.249 8.774 -12.187 78 HG12 ILE 11 2HG1 ILE 11 10.271 10.670 -10.555 79 HG13 ILE 11 3HG1 ILE 11 11.848 9.928 -10.799 80 HG21 ILE 11 1HG2 ILE 11 11.449 8.756 -14.127 81 HG22 ILE 11 2HG2 ILE 11 11.542 10.515 -14.216 82 HG23 ILE 11 3HG2 ILE 11 12.579 9.633 -13.094 83 HD11 ILE 11 1HD1 ILE 11 11.158 12.281 -12.461 84 HD12 ILE 11 2HD1 ILE 11 11.522 12.542 -10.755 85 HD13 ILE 11 3HD1 ILE 11 12.712 11.771 -11.803 86 H ASP 12 H ASP 12 7.890 8.372 -13.078 87 HA ASP 12 HA ASP 12 8.329 7.534 -15.735 88 HB2 ASP 12 2HB ASP 12 7.598 6.033 -13.896 89 HB3 ASP 12 3HB ASP 12 6.021 6.817 -13.916 90 H LYS 13 H LYS 13 5.923 9.603 -14.261 91 HA LYS 13 HA LYS 13 4.277 9.696 -16.636 92 HB2 LYS 13 2HB LYS 13 2.790 11.016 -15.397 93 HB3 LYS 13 3HB LYS 13 3.472 9.918 -14.204 94 HG2 LYS 13 2HG LYS 13 5.061 11.702 -13.543 95 HG3 LYS 13 3HG LYS 13 4.235 12.795 -14.656 96 HD2 LYS 13 2HD LYS 13 2.691 11.322 -12.555 97 HD3 LYS 13 3HD LYS 13 3.575 12.794 -12.145 98 HE2 LYS 13 2HE LYS 13 2.261 13.531 -14.424 99 HE3 LYS 13 3HE LYS 13 1.100 12.440 -13.670 100 HZ1 LYS 13 1HZ LYS 13 2.369 14.480 -11.996 101 HZ2 LYS 13 2HZ LYS 13 0.817 13.815 -11.895 102 HZ3 LYS 13 3HZ LYS 13 1.164 14.976 -13.076 103 H GLN 14 H GLN 14 6.879 11.509 -15.225 104 HA GLN 14 HA GLN 14 6.471 13.763 -17.023 105 HB2 GLN 14 2HB GLN 14 8.389 13.217 -14.770 106 HB3 GLN 14 3HB GLN 14 8.613 14.581 -15.858 107 HG2 GLN 14 2HG GLN 14 6.106 14.105 -14.267 108 HG3 GLN 14 3HG GLN 14 7.445 15.113 -13.720 109 HE21 GLN 14 1HE2 GLN 14 4.816 14.801 -15.964 110 HE22 GLN 14 2HE2 GLN 14 4.818 16.440 -16.510 111 H LEU 15 H LEU 15 7.973 10.782 -17.110 112 HA LEU 15 HA LEU 15 10.050 11.682 -18.980 113 HB2 LEU 15 2HB LEU 15 10.655 10.219 -17.034 114 HB3 LEU 15 3HB LEU 15 9.697 8.942 -17.781 115 HG LEU 15 HG LEU 15 11.581 9.910 -19.694 116 HD11 LEU 15 1HD1 LEU 15 12.633 10.447 -17.287 117 HD12 LEU 15 2HD1 LEU 15 13.594 9.932 -18.673 118 HD13 LEU 15 3HD1 LEU 15 13.112 8.757 -17.450 119 HD21 LEU 15 1HD2 LEU 15 10.450 7.662 -19.488 120 HD22 LEU 15 2HD2 LEU 15 11.605 7.293 -18.207 121 HD23 LEU 15 3HD2 LEU 15 12.177 7.625 -19.843 122 H LEU 16 H LEU 16 6.950 10.436 -18.939 123 HA LEU 16 HA LEU 16 7.117 8.700 -21.209 124 HB2 LEU 16 2HB LEU 16 5.009 8.178 -20.706 125 HB3 LEU 16 3HB LEU 16 5.269 9.133 -19.248 126 HG LEU 16 HG LEU 16 4.410 11.103 -20.747 127 HD11 LEU 16 1HD1 LEU 16 2.597 9.222 -22.022 128 HD12 LEU 16 2HD1 LEU 16 4.257 9.072 -22.597 129 HD13 LEU 16 3HD1 LEU 16 3.429 10.627 -22.690 130 HD21 LEU 16 1HD2 LEU 16 3.126 10.691 -18.897 131 HD22 LEU 16 2HD2 LEU 16 2.902 8.987 -19.293 132 HD23 LEU 16 3HD2 LEU 16 1.999 10.223 -20.170 133 HA PRO 17 HA PRO 17 5.458 12.819 -23.247 134 HB2 PRO 17 2HB PRO 17 6.643 15.042 -22.235 135 HB3 PRO 17 3HB PRO 17 5.108 14.411 -21.628 136 HG2 PRO 17 2HG PRO 17 7.867 14.075 -20.516 137 HG3 PRO 17 3HG PRO 17 6.351 14.416 -19.662 138 HD2 PRO 17 2HD PRO 17 7.438 11.939 -19.768 139 HD3 PRO 17 3HD PRO 17 5.685 12.210 -19.705 140 H ILE 18 H ILE 18 8.761 12.721 -21.945 141 HA ILE 18 HA ILE 18 9.895 13.803 -24.368 142 HB ILE 18 HB ILE 18 12.081 13.326 -23.277 143 HG12 ILE 18 2HG1 ILE 18 10.526 12.602 -20.806 144 HG13 ILE 18 3HG1 ILE 18 11.043 11.363 -21.945 145 HG21 ILE 18 1HG2 ILE 18 9.963 14.968 -21.967 146 HG22 ILE 18 2HG2 ILE 18 11.564 14.868 -21.237 147 HG23 ILE 18 3HG2 ILE 18 11.381 15.483 -22.879 148 HD11 ILE 18 1HD1 ILE 18 13.248 13.070 -21.318 149 HD12 ILE 18 2HD1 ILE 18 12.502 12.477 -19.834 150 HD13 ILE 18 3HD1 ILE 18 13.063 11.336 -21.056 151 H VAL 19 H VAL 19 9.130 10.691 -23.113 152 HA VAL 19 HA VAL 19 10.972 9.249 -24.806 153 HB VAL 19 HB VAL 19 9.932 8.526 -22.501 154 HG11 VAL 19 1HG1 VAL 19 8.016 7.063 -22.712 155 HG12 VAL 19 2HG1 VAL 19 7.602 8.675 -23.299 156 HG13 VAL 19 3HG1 VAL 19 7.933 7.376 -24.445 157 HG21 VAL 19 1HG2 VAL 19 10.079 6.074 -23.403 158 HG22 VAL 19 2HG2 VAL 19 10.640 6.864 -24.877 159 HG23 VAL 19 3HG2 VAL 19 11.517 7.095 -23.364 160 H ASN 20 H ASN 20 7.488 9.900 -24.734 161 HA ASN 20 HA ASN 20 7.033 8.452 -27.190 162 HB2 ASN 20 2HB ASN 20 5.105 8.297 -25.988 163 HB3 ASN 20 3HB ASN 20 5.366 9.836 -25.172 164 HD21 ASN 20 1HD2 ASN 20 4.388 11.624 -25.921 165 HD22 ASN 20 2HD2 ASN 20 3.364 11.669 -27.312 166 H LYS 21 H LYS 21 8.202 11.485 -26.418 167 HA LYS 21 HA LYS 21 7.007 13.118 -28.378 168 HB2 LYS 21 2HB LYS 21 9.207 13.299 -26.503 169 HB3 LYS 21 3HB LYS 21 9.627 14.045 -28.039 170 HG2 LYS 21 2HG LYS 21 7.909 15.614 -27.884 171 HG3 LYS 21 3HG LYS 21 7.048 14.684 -26.655 172 HD2 LYS 21 2HD LYS 21 8.327 15.484 -24.965 173 HD3 LYS 21 3HD LYS 21 9.786 15.547 -25.957 174 HE2 LYS 21 2HE LYS 21 8.384 17.475 -27.155 175 HE3 LYS 21 3HE LYS 21 7.665 17.578 -25.549 176 HZ1 LYS 21 1HZ LYS 21 9.788 17.981 -24.593 177 HZ2 LYS 21 2HZ LYS 21 9.622 19.043 -25.899 178 HZ3 LYS 21 3HZ LYS 21 10.588 17.662 -26.049 179 H ALA 22 H ALA 22 9.981 11.179 -28.426 180 HA ALA 22 HA ALA 22 10.461 11.818 -31.212 181 HB1 ALA 22 1HB ALA 22 12.014 10.819 -29.028 182 HB2 ALA 22 2HB ALA 22 12.157 9.724 -30.404 183 HB3 ALA 22 3HB ALA 22 12.555 11.432 -30.592 184 H GLY 23 H GLY 23 9.326 9.092 -29.286 185 HA2 GLY 23 2HA GLY 23 7.672 7.958 -31.133 186 HA3 GLY 23 3HA GLY 23 9.246 7.278 -31.517 187 H CYS 24 H CYS 24 10.399 6.184 -29.728 188 HA CYS 24 HA CYS 24 9.395 5.463 -27.293 189 HB2 CYS 24 2HB CYS 24 7.843 4.281 -29.408 190 HB3 CYS 24 3HB CYS 24 8.659 3.016 -28.495 191 H SER 25 H SER 25 11.481 5.222 -26.681 192 HA SER 25 HA SER 25 13.342 3.622 -28.175 193 HB2 SER 25 2HB SER 25 14.033 4.306 -25.391 194 HB3 SER 25 3HB SER 25 14.937 4.583 -26.879 195 HG SER 25 HG SER 25 13.104 6.222 -27.213 196 H ARG 26 H ARG 26 14.766 2.289 -26.231 197 HA ARG 26 HA ARG 26 13.150 -0.059 -25.889 198 HB2 ARG 26 2HB ARG 26 15.917 0.399 -24.781 199 HB3 ARG 26 3HB ARG 26 15.146 -1.136 -25.154 200 HG2 ARG 26 2HG ARG 26 15.548 -0.956 -27.391 201 HG3 ARG 26 3HG ARG 26 15.527 0.808 -27.364 202 HD2 ARG 26 2HD ARG 26 17.713 0.949 -26.595 203 HD3 ARG 26 3HD ARG 26 17.701 -0.699 -25.967 204 HE ARG 26 HE ARG 26 17.412 -0.629 -28.804 205 HH11 ARG 26 1HH1 ARG 26 19.728 -0.420 -26.214 206 HH12 ARG 26 2HH1 ARG 26 21.054 -0.978 -27.180 207 HH21 ARG 26 1HH2 ARG 26 19.149 -1.364 -30.086 208 HH22 ARG 26 2HH2 ARG 26 20.724 -1.513 -29.383 209 HA PRO 27 HA PRO 27 11.717 0.592 -21.787 210 HB2 PRO 27 2HB PRO 27 11.516 -1.979 -20.937 211 HB3 PRO 27 3HB PRO 27 10.396 -1.262 -22.101 212 HG2 PRO 27 2HG PRO 27 12.763 -3.027 -22.591 213 HG3 PRO 27 3HG PRO 27 11.155 -3.080 -23.336 214 HD2 PRO 27 2HD PRO 27 13.296 -1.970 -24.569 215 HD3 PRO 27 3HD PRO 27 11.641 -1.371 -24.805 216 H GLU 28 H GLU 28 14.551 -1.428 -22.300 217 HA GLU 28 HA GLU 28 15.350 -1.517 -19.566 218 HB2 GLU 28 2HB GLU 28 16.371 -2.457 -22.130 219 HB3 GLU 28 3HB GLU 28 17.651 -1.893 -21.065 220 HG2 GLU 28 2HG GLU 28 17.027 -4.355 -20.958 221 HG3 GLU 28 3HG GLU 28 17.161 -3.482 -19.433 222 H GLU 29 H GLU 29 16.112 0.571 -22.301 223 HA GLU 29 HA GLU 29 18.147 2.037 -20.925 224 HB2 GLU 29 2HB GLU 29 16.589 2.904 -23.361 225 HB3 GLU 29 3HB GLU 29 18.162 3.490 -22.841 226 HG2 GLU 29 2HG GLU 29 18.227 0.641 -23.175 227 HG3 GLU 29 3HG GLU 29 17.614 1.418 -24.633 228 H VAL 30 H VAL 30 14.692 2.343 -21.339 229 HA VAL 30 HA VAL 30 14.371 5.020 -20.566 230 HB VAL 30 HB VAL 30 12.509 2.665 -20.265 231 HG11 VAL 30 1HG1 VAL 30 11.400 3.972 -18.816 232 HG12 VAL 30 2HG1 VAL 30 12.276 5.425 -19.303 233 HG13 VAL 30 3HG1 VAL 30 10.903 4.861 -20.256 234 HG21 VAL 30 1HG2 VAL 30 11.921 4.858 -22.136 235 HG22 VAL 30 2HG2 VAL 30 13.336 3.883 -22.535 236 HG23 VAL 30 3HG2 VAL 30 11.761 3.114 -22.343 237 H GLU 31 H GLU 31 14.672 2.062 -18.680 238 HA GLU 31 HA GLU 31 13.904 3.031 -16.182 239 HB2 GLU 31 2HB GLU 31 15.662 0.813 -17.121 240 HB3 GLU 31 3HB GLU 31 15.716 1.249 -15.418 241 HG2 GLU 31 2HG GLU 31 13.755 0.286 -14.996 242 HG3 GLU 31 3HG GLU 31 13.004 0.979 -16.433 243 H GLU 32 H GLU 32 16.968 3.272 -17.889 244 HA GLU 32 HA GLU 32 18.465 4.300 -15.704 245 HB2 GLU 32 2HB GLU 32 18.878 3.850 -18.570 246 HB3 GLU 32 3HB GLU 32 19.728 5.259 -17.952 247 HG2 GLU 32 2HG GLU 32 21.245 3.494 -17.757 248 HG3 GLU 32 3HG GLU 32 20.619 3.741 -16.128 249 H ARG 33 H ARG 33 16.518 5.761 -18.237 250 HA ARG 33 HA ARG 33 17.328 8.429 -17.877 251 HB2 ARG 33 2HB ARG 33 14.584 7.508 -18.735 252 HB3 ARG 33 3HB ARG 33 15.363 9.038 -19.115 253 HG2 ARG 33 2HG ARG 33 16.196 6.316 -20.095 254 HG3 ARG 33 3HG ARG 33 15.400 7.579 -21.036 255 HD2 ARG 33 2HD ARG 33 17.637 8.811 -19.920 256 HD3 ARG 33 3HD ARG 33 18.201 7.219 -20.425 257 HE ARG 33 HE ARG 33 17.928 7.846 -22.617 258 HH11 ARG 33 1HH1 ARG 33 16.358 10.157 -20.540 259 HH12 ARG 33 2HH1 ARG 33 16.057 11.293 -21.812 260 HH21 ARG 33 1HH2 ARG 33 17.539 9.334 -24.301 261 HH22 ARG 33 2HH2 ARG 33 16.729 10.824 -23.952 262 H ILE 34 H ILE 34 15.003 6.426 -16.193 263 HA ILE 34 HA ILE 34 13.580 8.418 -14.834 264 HB ILE 34 HB ILE 34 14.245 5.657 -13.807 265 HG12 ILE 34 2HG1 ILE 34 11.969 6.622 -15.551 266 HG13 ILE 34 3HG1 ILE 34 13.246 5.503 -16.016 267 HG21 ILE 34 1HG2 ILE 34 13.004 7.745 -12.509 268 HG22 ILE 34 2HG2 ILE 34 11.657 6.794 -13.131 269 HG23 ILE 34 3HG2 ILE 34 12.866 6.036 -12.095 270 HD11 ILE 34 1HD1 ILE 34 12.113 4.338 -13.779 271 HD12 ILE 34 2HD1 ILE 34 10.743 4.999 -14.671 272 HD13 ILE 34 3HD1 ILE 34 11.850 3.876 -15.460 273 H ARG 35 H ARG 35 16.627 6.810 -14.070 274 HA ARG 35 HA ARG 35 16.928 7.862 -11.467 275 HB2 ARG 35 2HB ARG 35 18.679 6.523 -13.451 276 HB3 ARG 35 3HB ARG 35 19.483 7.468 -12.205 277 HG2 ARG 35 2HG ARG 35 17.388 5.666 -11.223 278 HG3 ARG 35 3HG ARG 35 18.781 4.868 -11.955 279 HD2 ARG 35 2HD ARG 35 19.654 7.001 -10.245 280 HD3 ARG 35 3HD ARG 35 18.565 5.931 -9.363 281 HE ARG 35 HE ARG 35 20.560 4.508 -10.840 282 HH11 ARG 35 1HH1 ARG 35 19.917 6.224 -7.880 283 HH12 ARG 35 2HH1 ARG 35 21.143 5.394 -6.980 284 HH21 ARG 35 1HH2 ARG 35 22.177 3.408 -9.665 285 HH22 ARG 35 2HH2 ARG 35 22.428 3.793 -7.996 286 H ARG 36 H ARG 36 17.784 9.071 -14.653 287 HA ARG 36 HA ARG 36 19.467 11.173 -13.874 288 HB2 ARG 36 2HB ARG 36 19.384 10.526 -16.179 289 HB3 ARG 36 3HB ARG 36 17.657 10.848 -16.267 290 HG2 ARG 36 2HG ARG 36 18.101 13.240 -15.933 291 HG3 ARG 36 3HG ARG 36 19.832 12.898 -15.900 292 HD2 ARG 36 2HD ARG 36 17.946 12.419 -18.204 293 HD3 ARG 36 3HD ARG 36 19.175 13.679 -18.098 294 HE ARG 36 HE ARG 36 20.437 11.213 -17.765 295 HH11 ARG 36 1HH1 ARG 36 18.726 12.986 -20.224 296 HH12 ARG 36 2HH1 ARG 36 19.576 12.241 -21.537 297 HH21 ARG 36 1HH2 ARG 36 21.564 10.225 -19.485 298 HH22 ARG 36 2HH2 ARG 36 21.189 10.669 -21.115 299 H ALA 37 H ALA 37 15.959 11.122 -14.446 300 HA ALA 37 HA ALA 37 15.509 13.845 -13.879 301 HB1 ALA 37 1HB ALA 37 13.124 13.003 -13.417 302 HB2 ALA 37 2HB ALA 37 13.789 12.783 -15.036 303 HB3 ALA 37 3HB ALA 37 13.740 11.426 -13.910 304 H LEU 38 H LEU 38 15.732 11.006 -11.836 305 HA LEU 38 HA LEU 38 14.604 12.081 -9.496 306 HB2 LEU 38 2HB LEU 38 14.857 9.901 -9.090 307 HB3 LEU 38 3HB LEU 38 16.178 9.751 -10.246 308 HG LEU 38 HG LEU 38 17.657 10.758 -8.421 309 HD11 LEU 38 1HD1 LEU 38 16.708 11.398 -6.525 310 HD12 LEU 38 2HD1 LEU 38 16.190 9.738 -6.233 311 HD13 LEU 38 3HD1 LEU 38 15.134 10.851 -7.103 312 HD21 LEU 38 1HD2 LEU 38 16.502 8.038 -8.573 313 HD22 LEU 38 2HD2 LEU 38 17.449 8.425 -7.136 314 HD23 LEU 38 3HD2 LEU 38 18.175 8.574 -8.737 315 H LYS 39 H LYS 39 17.719 12.480 -10.974 316 HA LYS 39 HA LYS 39 19.269 13.292 -8.818 317 HB2 LYS 39 2HB LYS 39 20.182 12.916 -11.059 318 HB3 LYS 39 3HB LYS 39 19.322 14.328 -11.659 319 HG2 LYS 39 2HG LYS 39 20.884 15.124 -9.424 320 HG3 LYS 39 3HG LYS 39 21.906 14.187 -10.518 321 HD2 LYS 39 2HD LYS 39 21.996 16.534 -11.111 322 HD3 LYS 39 3HD LYS 39 21.178 15.625 -12.385 323 HE2 LYS 39 2HE LYS 39 19.018 16.341 -11.537 324 HE3 LYS 39 3HE LYS 39 19.799 17.187 -10.202 325 HZ1 LYS 39 1HZ LYS 39 20.475 18.871 -11.540 326 HZ2 LYS 39 2HZ LYS 39 19.091 18.420 -12.401 327 HZ3 LYS 39 3HZ LYS 39 20.615 17.897 -12.917 328 H LYS 40 H LYS 40 16.672 14.919 -10.421 329 HA LYS 40 HA LYS 40 17.227 17.580 -9.783 330 HB2 LYS 40 2HB LYS 40 15.452 17.111 -11.303 331 HB3 LYS 40 3HB LYS 40 14.619 16.105 -10.125 332 HG2 LYS 40 2HG LYS 40 15.062 18.882 -9.286 333 HG3 LYS 40 3HG LYS 40 13.988 18.676 -10.671 334 HD2 LYS 40 2HD LYS 40 12.615 17.122 -9.392 335 HD3 LYS 40 3HD LYS 40 13.707 17.271 -8.013 336 HE2 LYS 40 2HE LYS 40 12.197 19.577 -9.233 337 HE3 LYS 40 3HE LYS 40 11.626 18.647 -7.848 338 HZ1 LYS 40 1HZ LYS 40 13.071 19.646 -6.478 339 HZ2 LYS 40 2HZ LYS 40 13.121 20.854 -7.661 340 HZ3 LYS 40 3HZ LYS 40 14.325 19.667 -7.614 341 H MET 41 H MET 41 16.286 14.951 -7.777 342 HA MET 41 HA MET 41 15.511 16.743 -5.594 343 HB2 MET 41 2HB MET 41 15.489 13.739 -5.473 344 HB3 MET 41 3HB MET 41 14.548 14.881 -4.523 345 HG2 MET 41 2HG MET 41 13.777 15.422 -7.109 346 HG3 MET 41 3HG MET 41 13.971 13.671 -7.095 347 HE1 MET 41 1HE MET 41 12.737 15.943 -3.947 348 HE2 MET 41 2HE MET 41 12.405 16.741 -5.484 349 HE3 MET 41 3HE MET 41 11.074 16.122 -4.506 350 H GLY 42 H GLY 42 18.117 14.785 -6.701 351 HA2 GLY 42 2HA GLY 42 20.253 14.538 -5.882 352 HA3 GLY 42 3HA GLY 42 19.858 15.742 -4.664 353 H ASP 43 H ASP 43 17.524 13.463 -4.411 354 HA ASP 43 HA ASP 43 19.033 11.988 -2.354 355 HB2 ASP 43 2HB ASP 43 16.417 13.299 -2.318 356 HB3 ASP 43 3HB ASP 43 16.371 11.643 -1.721 357 H THR 44 H THR 44 19.680 10.436 -3.950 358 HA THR 44 HA THR 44 17.591 8.825 -5.182 359 HB THR 44 HB THR 44 19.270 7.792 -6.475 360 HG1 THR 44 HG1 THR 44 21.442 7.833 -5.920 361 HG21 THR 44 1HG2 THR 44 19.880 9.581 -7.695 362 HG22 THR 44 2HG2 THR 44 20.735 10.328 -6.345 363 HG23 THR 44 3HG2 THR 44 18.987 10.510 -6.491 364 H SER 45 H SER 45 18.495 8.921 -2.191 365 HA SER 45 HA SER 45 19.428 6.285 -1.628 366 HB2 SER 45 2HB SER 45 18.941 6.851 0.723 367 HB3 SER 45 3HB SER 45 19.835 8.143 -0.078 368 HG SER 45 HG SER 45 18.160 9.426 0.104 369 H CYS 46 H CYS 46 16.256 7.858 -1.534 370 HA CYS 46 HA CYS 46 14.963 5.359 -0.795 371 HB2 CYS 46 2HB CYS 46 14.283 7.609 0.148 372 HB3 CYS 46 3HB CYS 46 13.640 7.994 -1.445 373 H PHE 47 H PHE 47 15.612 7.256 -3.604 374 HA PHE 47 HA PHE 47 13.537 6.163 -5.241 375 HB2 PHE 47 2HB PHE 47 14.920 8.366 -5.536 376 HB3 PHE 47 3HB PHE 47 16.066 7.317 -6.364 377 HD1 PHE 47 HD1 PHE 47 13.176 9.307 -6.714 378 HD2 PHE 47 HD2 PHE 47 15.086 5.829 -8.253 379 HE1 PHE 47 HE1 PHE 47 11.847 9.494 -8.777 380 HE2 PHE 47 HE2 PHE 47 13.762 6.011 -10.318 381 HZ PHE 47 HZ PHE 47 12.140 7.845 -10.583 382 H ASP 48 H ASP 48 16.843 5.310 -4.493 383 HA ASP 48 HA ASP 48 17.441 3.579 -6.573 384 HB2 ASP 48 2HB ASP 48 19.101 4.223 -4.914 385 HB3 ASP 48 3HB ASP 48 18.213 3.367 -3.656 386 H GLU 49 H GLU 49 15.465 3.058 -3.717 387 HA GLU 49 HA GLU 49 15.184 0.235 -4.131 388 HB2 GLU 49 2HB GLU 49 14.116 2.250 -2.243 389 HB3 GLU 49 3HB GLU 49 13.107 0.836 -2.516 390 HG2 GLU 49 2HG GLU 49 14.665 -0.615 -1.622 391 HG3 GLU 49 3HG GLU 49 16.003 0.505 -1.873 392 H ILE 50 H ILE 50 13.158 3.080 -4.735 393 HA ILE 50 HA ILE 50 10.956 1.629 -5.786 394 HB ILE 50 HB ILE 50 9.980 3.670 -6.301 395 HG12 ILE 50 2HG1 ILE 50 11.730 5.741 -6.336 396 HG13 ILE 50 3HG1 ILE 50 12.748 4.459 -6.983 397 HG21 ILE 50 1HG2 ILE 50 10.016 4.669 -4.290 398 HG22 ILE 50 2HG2 ILE 50 11.132 3.373 -3.861 399 HG23 ILE 50 3HG2 ILE 50 11.756 4.949 -4.348 400 HD11 ILE 50 1HD1 ILE 50 10.379 4.187 -8.373 401 HD12 ILE 50 2HD1 ILE 50 10.602 5.931 -8.235 402 HD13 ILE 50 3HD1 ILE 50 11.865 4.935 -8.957 403 H LEU 51 H LEU 51 13.919 2.842 -7.152 404 HA LEU 51 HA LEU 51 13.258 2.912 -9.858 405 HB2 LEU 51 2HB LEU 51 15.440 3.293 -10.184 406 HB3 LEU 51 3HB LEU 51 15.497 3.389 -8.425 407 HG LEU 51 HG LEU 51 16.009 0.833 -8.584 408 HD11 LEU 51 1HD1 LEU 51 16.304 1.777 -11.373 409 HD12 LEU 51 2HD1 LEU 51 15.867 0.186 -10.751 410 HD13 LEU 51 3HD1 LEU 51 17.554 0.700 -10.750 411 HD21 LEU 51 1HD2 LEU 51 17.917 1.629 -7.784 412 HD22 LEU 51 2HD2 LEU 51 17.597 3.202 -8.515 413 HD23 LEU 51 3HD2 LEU 51 18.455 1.961 -9.431 414 H LYS 52 H LYS 52 13.954 0.216 -7.754 415 HA LYS 52 HA LYS 52 14.361 -1.718 -9.800 416 HB2 LYS 52 2HB LYS 52 14.289 -1.656 -6.916 417 HB3 LYS 52 3HB LYS 52 13.375 -3.034 -7.516 418 HG2 LYS 52 2HG LYS 52 15.521 -3.871 -7.244 419 HG3 LYS 52 3HG LYS 52 15.435 -3.512 -8.970 420 HD2 LYS 52 2HD LYS 52 17.486 -2.614 -8.382 421 HD3 LYS 52 3HD LYS 52 16.421 -1.211 -8.277 422 HE2 LYS 52 2HE LYS 52 16.518 -1.137 -5.994 423 HE3 LYS 52 3HE LYS 52 16.790 -2.872 -5.841 424 HZ1 LYS 52 1HZ LYS 52 18.714 -1.278 -5.335 425 HZ2 LYS 52 2HZ LYS 52 18.857 -1.125 -7.013 426 HZ3 LYS 52 3HZ LYS 52 19.036 -2.641 -6.284 427 H GLY 53 H GLY 53 11.549 -0.754 -7.862 428 HA2 GLY 53 2HA GLY 53 9.808 -2.694 -9.056 429 HA3 GLY 53 3HA GLY 53 9.325 -1.349 -8.033 430 H LEU 54 H LEU 54 10.991 0.330 -10.074 431 HA LEU 54 HA LEU 54 8.709 1.085 -11.649 432 HB2 LEU 54 2HB LEU 54 10.902 2.405 -10.699 433 HB3 LEU 54 3HB LEU 54 11.311 2.202 -12.401 434 HG LEU 54 HG LEU 54 8.796 3.518 -11.376 435 HD11 LEU 54 1HD1 LEU 54 10.208 5.461 -12.622 436 HD12 LEU 54 2HD1 LEU 54 11.507 4.532 -11.876 437 HD13 LEU 54 3HD1 LEU 54 10.210 5.190 -10.879 438 HD21 LEU 54 1HD2 LEU 54 8.280 2.732 -13.498 439 HD22 LEU 54 2HD2 LEU 54 9.917 2.989 -14.102 440 HD23 LEU 54 3HD2 LEU 54 8.856 4.369 -13.814 441 H LYS 55 H LYS 55 9.586 -1.574 -12.153 442 HA LYS 55 HA LYS 55 10.838 -1.438 -14.794 443 HB2 LYS 55 2HB LYS 55 11.154 -3.809 -14.622 444 HB3 LYS 55 3HB LYS 55 11.649 -3.088 -13.096 445 HG2 LYS 55 2HG LYS 55 8.994 -3.670 -12.675 446 HG3 LYS 55 3HG LYS 55 9.558 -5.025 -13.656 447 HD2 LYS 55 2HD LYS 55 11.600 -4.815 -11.904 448 HD3 LYS 55 3HD LYS 55 10.264 -4.251 -10.898 449 HE2 LYS 55 2HE LYS 55 10.331 -6.849 -12.431 450 HE3 LYS 55 3HE LYS 55 10.625 -6.676 -10.701 451 HZ1 LYS 55 1HZ LYS 55 8.242 -5.439 -11.046 452 HZ2 LYS 55 2HZ LYS 55 8.447 -7.027 -10.501 453 HZ3 LYS 55 3HZ LYS 55 8.137 -6.728 -12.137 454 H GLU 56 H GLU 56 8.062 -0.553 -14.225 455 HA GLU 56 HA GLU 56 6.601 -2.457 -15.933 456 HB2 GLU 56 2HB GLU 56 5.382 -0.346 -14.155 457 HB3 GLU 56 3HB GLU 56 4.559 -1.673 -14.962 458 HG2 GLU 56 2HG GLU 56 5.658 -3.278 -13.538 459 HG3 GLU 56 3HG GLU 56 6.608 -1.999 -12.783 460 H ILE 57 H ILE 57 8.107 -1.089 -17.490 461 HA ILE 57 HA ILE 57 7.070 1.495 -18.210 462 HB ILE 57 HB ILE 57 9.440 0.987 -18.539 463 HG12 ILE 57 2HG1 ILE 57 9.660 1.845 -20.823 464 HG13 ILE 57 3HG1 ILE 57 7.992 1.398 -21.165 465 HG21 ILE 57 1HG2 ILE 57 8.920 -0.730 -20.891 466 HG22 ILE 57 2HG2 ILE 57 10.257 -0.751 -19.743 467 HG23 ILE 57 3HG2 ILE 57 8.706 -1.464 -19.302 468 HD11 ILE 57 1HD1 ILE 57 8.720 3.859 -20.479 469 HD12 ILE 57 2HD1 ILE 57 7.148 3.177 -20.059 470 HD13 ILE 57 3HD1 ILE 57 8.447 3.196 -18.867 471 H LYS 58 H LYS 58 5.507 1.951 -19.620 472 HA LYS 58 HA LYS 58 4.623 -0.161 -21.472 473 HB2 LYS 58 2HB LYS 58 2.950 1.634 -19.723 474 HB3 LYS 58 3HB LYS 58 2.288 0.839 -21.146 475 HG2 LYS 58 2HG LYS 58 1.887 -0.954 -19.919 476 HG3 LYS 58 3HG LYS 58 3.623 -1.146 -19.665 477 HD2 LYS 58 2HD LYS 58 2.935 -0.991 -17.492 478 HD3 LYS 58 3HD LYS 58 3.195 0.721 -17.838 479 HE2 LYS 58 2HE LYS 58 0.805 0.959 -18.358 480 HE3 LYS 58 3HE LYS 58 0.560 -0.744 -17.974 481 HZ1 LYS 58 1HZ LYS 58 1.243 -0.315 -15.712 482 HZ2 LYS 58 2HZ LYS 58 -0.035 0.713 -16.125 483 HZ3 LYS 58 3HZ LYS 58 1.547 1.311 -16.069 484 H CYS 59 H CYS 59 6.438 1.670 -22.302 485 HA CYS 59 HA CYS 59 5.637 4.106 -23.273 486 HB2 CYS 59 2HB CYS 59 7.938 3.098 -23.431 487 HB3 CYS 59 3HB CYS 59 7.369 2.167 -24.813 488 H GLY 60 H GLY 60 4.892 0.919 -24.533 489 HA2 GLY 60 2HA GLY 60 2.633 1.861 -25.964 490 HA3 GLY 60 3HA GLY 60 3.966 1.574 -27.073 491 H GLY 61 H GLY 61 1.723 0.141 -27.455 492 HA2 GLY 61 2HA GLY 61 1.846 -2.380 -26.049 493 HA3 GLY 61 3HA GLY 61 0.767 -1.974 -27.375 494 H SER 62 H SER 62 2.117 -1.556 -29.510 495 HA SER 62 HA SER 62 3.408 -4.072 -30.065 496 HB2 SER 62 2HB SER 62 3.422 -1.924 -32.113 497 HB3 SER 62 3HB SER 62 2.993 -3.627 -32.267 498 HG SER 62 HG SER 62 1.091 -2.906 -30.887 499 H TRP 63 H TRP 63 5.380 -4.146 -29.072 500 HA TRP 63 HA TRP 63 7.304 -2.020 -29.726 501 HB2 TRP 63 2HB TRP 63 6.704 -3.269 -27.293 502 HB3 TRP 63 3HB TRP 63 8.254 -3.947 -27.782 503 HD1 TRP 63 HD1 TRP 63 9.106 -1.054 -29.239 504 HE1 TRP 63 HE1 TRP 63 9.998 0.787 -27.677 505 HE3 TRP 63 HE3 TRP 63 7.251 -2.787 -24.802 506 HZ2 TRP 63 HZ2 TRP 63 9.925 1.420 -24.927 507 HZ3 TRP 63 HZ3 TRP 63 7.707 -1.505 -22.752 508 HH2 TRP 63 HH2 TRP 63 9.017 0.554 -22.815 509 H LEU 64 H LEU 64 9.580 -2.760 -30.050 510 HA LEU 64 HA LEU 64 9.803 -5.433 -31.216 511 HB2 LEU 64 2HB LEU 64 9.344 -3.314 -32.835 512 HB3 LEU 64 3HB LEU 64 11.105 -3.295 -32.766 513 HG LEU 64 HG LEU 64 9.569 -5.769 -33.510 514 HD11 LEU 64 1HD1 LEU 64 8.819 -4.283 -35.145 515 HD12 LEU 64 2HD1 LEU 64 10.212 -5.070 -35.886 516 HD13 LEU 64 3HD1 LEU 64 10.368 -3.442 -35.225 517 HD21 LEU 64 1HD2 LEU 64 12.405 -4.833 -33.912 518 HD22 LEU 64 2HD2 LEU 64 11.722 -6.272 -34.669 519 HD23 LEU 64 3HD2 LEU 64 11.848 -6.175 -32.912 520 H GLU 65 H GLU 65 10.813 -4.500 -28.770 521 HA GLU 65 HA GLU 65 13.701 -4.596 -29.322 522 HB2 GLU 65 2HB GLU 65 13.912 -3.230 -27.142 523 HB3 GLU 65 3HB GLU 65 13.464 -2.386 -28.617 524 HG2 GLU 65 2HG GLU 65 12.142 -1.650 -26.704 525 HG3 GLU 65 3HG GLU 65 11.139 -2.386 -27.952 526 H HIS 66 H HIS 66 14.759 -4.934 -26.915 527 HA HIS 66 HA HIS 66 13.417 -7.330 -25.845 528 HB2 HIS 66 2HB HIS 66 15.773 -8.049 -25.200 529 HB3 HIS 66 3HB HIS 66 15.394 -8.075 -26.920 530 HD1 HIS 66 HD1 HIS 66 16.657 -5.265 -24.678 531 HD2 HIS 66 HD2 HIS 66 17.632 -7.262 -28.188 532 HE1 HIS 66 HE1 HIS 66 18.704 -4.104 -25.566 Start of MODEL 16 1 H1 ALA 1 H ALA 1 3.648 -2.506 -0.561 2 HA ALA 1 HA ALA 1 4.175 -2.180 -3.210 3 HB1 ALA 1 1HB ALA 1 1.857 -1.018 -3.088 4 HB2 ALA 1 2HB ALA 1 2.769 0.337 -2.419 5 HB3 ALA 1 3HB ALA 1 3.152 -0.276 -4.028 6 H SER 2 H SER 2 5.737 -0.435 -3.687 7 HA SER 2 HA SER 2 7.636 -0.181 -1.630 8 HB2 SER 2 2HB SER 2 7.418 0.551 -4.424 9 HB3 SER 2 3HB SER 2 8.209 1.828 -3.500 10 HG SER 2 HG SER 2 9.909 0.615 -3.456 11 HA PRO 3 HA PRO 3 6.323 3.356 0.622 12 HB2 PRO 3 2HB PRO 3 8.723 4.286 1.486 13 HB3 PRO 3 3HB PRO 3 7.966 2.828 2.138 14 HG2 PRO 3 2HG PRO 3 10.128 3.082 0.083 15 HG3 PRO 3 3HG PRO 3 10.003 1.950 1.442 16 HD2 PRO 3 2HD PRO 3 9.387 1.248 -1.099 17 HD3 PRO 3 3HD PRO 3 8.562 0.552 0.310 18 H CYS 4 H CYS 4 8.624 3.658 -1.976 19 HA CYS 4 HA CYS 4 7.960 6.521 -2.207 20 HB2 CYS 4 2HB CYS 4 10.481 5.026 -2.914 21 HB3 CYS 4 3HB CYS 4 10.129 6.625 -3.562 22 H ASP 5 H ASP 5 6.336 4.414 -3.236 23 HA ASP 5 HA ASP 5 6.811 3.900 -5.966 24 HB2 ASP 5 2HB ASP 5 4.657 2.975 -6.030 25 HB3 ASP 5 3HB ASP 5 5.157 2.750 -4.356 26 H LYS 6 H LYS 6 5.344 6.583 -4.284 27 HA LYS 6 HA LYS 6 3.989 7.772 -6.440 28 HB2 LYS 6 2HB LYS 6 4.276 9.899 -5.079 29 HB3 LYS 6 3HB LYS 6 3.467 8.561 -4.274 30 HG2 LYS 6 2HG LYS 6 4.946 8.617 -2.633 31 HG3 LYS 6 3HG LYS 6 6.268 8.375 -3.778 32 HD2 LYS 6 2HD LYS 6 6.604 10.420 -2.503 33 HD3 LYS 6 3HD LYS 6 6.325 10.792 -4.206 34 HE2 LYS 6 2HE LYS 6 4.547 12.030 -3.704 35 HE3 LYS 6 3HE LYS 6 3.831 10.713 -2.776 36 HZ1 LYS 6 1HZ LYS 6 4.817 13.076 -1.784 37 HZ2 LYS 6 2HZ LYS 6 5.980 11.923 -1.361 38 HZ3 LYS 6 3HZ LYS 6 4.370 11.713 -0.887 39 H GLN 7 H GLN 7 7.347 7.785 -5.494 40 HA GLN 7 HA GLN 7 8.164 9.997 -7.070 41 HB2 GLN 7 2HB GLN 7 9.497 7.805 -5.592 42 HB3 GLN 7 3HB GLN 7 10.425 8.538 -6.893 43 HG2 GLN 7 2HG GLN 7 10.968 9.645 -4.853 44 HG3 GLN 7 3HG GLN 7 10.036 10.753 -5.859 45 HE21 GLN 7 1HE2 GLN 7 8.948 8.076 -3.826 46 HE22 GLN 7 2HE2 GLN 7 7.955 9.035 -2.788 47 H LYS 8 H LYS 8 7.715 6.591 -7.722 48 HA LYS 8 HA LYS 8 9.096 6.550 -10.210 49 HB2 LYS 8 2HB LYS 8 8.591 4.344 -10.245 50 HB3 LYS 8 3HB LYS 8 8.146 4.625 -8.567 51 HG2 LYS 8 2HG LYS 8 5.803 5.034 -9.349 52 HG3 LYS 8 3HG LYS 8 6.317 4.495 -10.950 53 HD2 LYS 8 2HD LYS 8 7.048 2.349 -9.928 54 HD3 LYS 8 3HD LYS 8 6.373 2.896 -8.391 55 HE2 LYS 8 2HE LYS 8 4.238 2.562 -9.060 56 HE3 LYS 8 3HE LYS 8 4.571 3.046 -10.722 57 HZ1 LYS 8 1HZ LYS 8 5.897 0.793 -10.695 58 HZ2 LYS 8 2HZ LYS 8 4.238 0.834 -11.018 59 HZ3 LYS 8 3HZ LYS 8 4.788 0.410 -9.475 60 H ASN 9 H ASN 9 5.757 7.132 -9.255 61 HA ASN 9 HA ASN 9 4.726 7.172 -11.917 62 HB2 ASN 9 2HB ASN 9 3.165 6.686 -10.196 63 HB3 ASN 9 3HB ASN 9 3.638 8.103 -9.263 64 HD21 ASN 9 1HD2 ASN 9 1.611 8.975 -9.151 65 HD22 ASN 9 2HD2 ASN 9 0.782 9.623 -10.522 66 H TYR 10 H TYR 10 5.918 9.605 -9.668 67 HA TYR 10 HA TYR 10 5.109 11.883 -11.111 68 HB2 TYR 10 2HB TYR 10 5.743 12.373 -8.937 69 HB3 TYR 10 3HB TYR 10 7.167 11.341 -9.007 70 HD1 TYR 10 HD1 TYR 10 5.782 14.550 -10.276 71 HD2 TYR 10 HD2 TYR 10 9.273 12.254 -9.473 72 HE1 TYR 10 HE1 TYR 10 7.177 16.520 -10.743 73 HE2 TYR 10 HE2 TYR 10 10.679 14.219 -9.937 74 HH TYR 10 HH TYR 10 10.152 16.525 -11.518 75 H ILE 11 H ILE 11 8.043 9.921 -11.232 76 HA ILE 11 HA ILE 11 9.292 11.616 -13.204 77 HB ILE 11 HB ILE 11 10.087 8.856 -12.269 78 HG12 ILE 11 2HG1 ILE 11 10.048 10.571 -10.469 79 HG13 ILE 11 3HG1 ILE 11 11.669 9.976 -10.812 80 HG21 ILE 11 1HG2 ILE 11 11.308 10.826 -14.132 81 HG22 ILE 11 2HG2 ILE 11 12.373 9.868 -13.104 82 HG23 ILE 11 3HG2 ILE 11 11.266 9.065 -14.217 83 HD11 ILE 11 1HD1 ILE 11 12.263 11.963 -11.928 84 HD12 ILE 11 2HD1 ILE 11 10.589 12.515 -11.989 85 HD13 ILE 11 3HD1 ILE 11 11.442 12.453 -10.447 86 H ASP 12 H ASP 12 7.683 8.465 -13.156 87 HA ASP 12 HA ASP 12 8.147 7.804 -15.857 88 HB2 ASP 12 2HB ASP 12 7.394 6.211 -14.073 89 HB3 ASP 12 3HB ASP 12 5.797 6.949 -14.157 90 H LYS 13 H LYS 13 5.718 9.761 -14.277 91 HA LYS 13 HA LYS 13 4.071 9.979 -16.641 92 HB2 LYS 13 2HB LYS 13 2.599 11.262 -15.335 93 HB3 LYS 13 3HB LYS 13 3.258 10.078 -14.214 94 HG2 LYS 13 2HG LYS 13 4.836 11.758 -13.380 95 HG3 LYS 13 3HG LYS 13 4.141 12.945 -14.488 96 HD2 LYS 13 2HD LYS 13 1.903 12.393 -13.350 97 HD3 LYS 13 3HD LYS 13 2.887 11.647 -12.088 98 HE2 LYS 13 2HE LYS 13 2.731 13.751 -11.231 99 HE3 LYS 13 3HE LYS 13 4.164 13.964 -12.236 100 HZ1 LYS 13 1HZ LYS 13 2.025 15.550 -12.343 101 HZ2 LYS 13 2HZ LYS 13 1.630 14.444 -13.560 102 HZ3 LYS 13 3HZ LYS 13 3.079 15.313 -13.645 103 H GLN 14 H GLN 14 6.662 11.739 -15.134 104 HA GLN 14 HA GLN 14 6.260 14.053 -16.862 105 HB2 GLN 14 2HB GLN 14 7.006 14.055 -14.346 106 HB3 GLN 14 3HB GLN 14 8.601 13.749 -15.021 107 HG2 GLN 14 2HG GLN 14 8.744 15.979 -15.064 108 HG3 GLN 14 3HG GLN 14 7.813 15.823 -16.553 109 HE21 GLN 14 1HE2 GLN 14 5.328 15.212 -15.545 110 HE22 GLN 14 2HE2 GLN 14 4.718 16.566 -14.662 111 H LEU 15 H LEU 15 7.811 11.098 -16.994 112 HA LEU 15 HA LEU 15 9.926 12.082 -18.777 113 HB2 LEU 15 2HB LEU 15 10.609 10.613 -16.934 114 HB3 LEU 15 3HB LEU 15 9.539 9.355 -17.549 115 HG LEU 15 HG LEU 15 11.371 10.180 -19.604 116 HD11 LEU 15 1HD1 LEU 15 12.887 8.888 -17.421 117 HD12 LEU 15 2HD1 LEU 15 12.584 10.618 -17.263 118 HD13 LEU 15 3HD1 LEU 15 13.428 9.997 -18.682 119 HD21 LEU 15 1HD2 LEU 15 10.028 7.934 -18.875 120 HD22 LEU 15 2HD2 LEU 15 11.668 7.540 -18.358 121 HD23 LEU 15 3HD2 LEU 15 11.353 7.978 -20.038 122 H LEU 16 H LEU 16 6.837 10.830 -18.879 123 HA LEU 16 HA LEU 16 7.058 9.129 -21.158 124 HB2 LEU 16 2HB LEU 16 5.043 9.908 -19.328 125 HB3 LEU 16 3HB LEU 16 4.450 10.266 -20.949 126 HG LEU 16 HG LEU 16 3.678 8.093 -20.335 127 HD11 LEU 16 1HD1 LEU 16 4.123 7.162 -22.318 128 HD12 LEU 16 2HD1 LEU 16 5.862 7.141 -22.027 129 HD13 LEU 16 3HD1 LEU 16 5.086 8.610 -22.617 130 HD21 LEU 16 1HD2 LEU 16 4.890 7.121 -18.706 131 HD22 LEU 16 2HD2 LEU 16 6.409 7.812 -19.275 132 HD23 LEU 16 3HD2 LEU 16 5.745 6.377 -20.057 133 HA PRO 17 HA PRO 17 5.612 13.276 -23.291 134 HB2 PRO 17 2HB PRO 17 6.699 15.497 -22.169 135 HB3 PRO 17 3HB PRO 17 5.120 14.858 -21.699 136 HG2 PRO 17 2HG PRO 17 7.774 14.523 -20.357 137 HG3 PRO 17 3HG PRO 17 6.189 14.855 -19.634 138 HD2 PRO 17 2HD PRO 17 7.289 12.380 -19.660 139 HD3 PRO 17 3HD PRO 17 5.536 12.647 -19.746 140 H ILE 18 H ILE 18 8.791 13.182 -21.711 141 HA ILE 18 HA ILE 18 10.141 14.315 -23.983 142 HB ILE 18 HB ILE 18 12.215 13.787 -22.754 143 HG12 ILE 18 2HG1 ILE 18 10.343 12.623 -20.680 144 HG13 ILE 18 3HG1 ILE 18 11.444 11.697 -21.694 145 HG21 ILE 18 1HG2 ILE 18 10.564 14.968 -20.625 146 HG22 ILE 18 2HG2 ILE 18 11.991 15.603 -21.443 147 HG23 ILE 18 3HG2 ILE 18 10.409 15.720 -22.213 148 HD11 ILE 18 1HD1 ILE 18 12.924 13.724 -20.358 149 HD12 ILE 18 2HD1 ILE 18 11.940 12.858 -19.179 150 HD13 ILE 18 3HD1 ILE 18 13.057 11.972 -20.215 151 H VAL 19 H VAL 19 9.080 11.206 -23.097 152 HA VAL 19 HA VAL 19 11.085 9.733 -24.552 153 HB VAL 19 HB VAL 19 8.508 8.962 -23.212 154 HG11 VAL 19 1HG1 VAL 19 9.492 6.565 -23.857 155 HG12 VAL 19 2HG1 VAL 19 8.316 7.414 -24.861 156 HG13 VAL 19 3HG1 VAL 19 10.031 7.474 -25.268 157 HG21 VAL 19 1HG2 VAL 19 11.066 9.249 -22.276 158 HG22 VAL 19 2HG2 VAL 19 9.807 8.270 -21.523 159 HG23 VAL 19 3HG2 VAL 19 10.976 7.519 -22.609 160 H ASN 20 H ASN 20 7.628 10.450 -25.030 161 HA ASN 20 HA ASN 20 7.645 9.343 -27.689 162 HB2 ASN 20 2HB ASN 20 5.681 9.744 -25.835 163 HB3 ASN 20 3HB ASN 20 5.399 11.094 -26.931 164 HD21 ASN 20 1HD2 ASN 20 5.511 7.626 -26.621 165 HD22 ASN 20 2HD2 ASN 20 4.639 7.270 -28.069 166 H LYS 21 H LYS 21 8.697 12.213 -26.385 167 HA LYS 21 HA LYS 21 7.843 14.127 -28.258 168 HB2 LYS 21 2HB LYS 21 8.813 14.924 -26.249 169 HB3 LYS 21 3HB LYS 21 10.263 13.953 -26.472 170 HG2 LYS 21 2HG LYS 21 11.183 15.416 -27.965 171 HG3 LYS 21 3HG LYS 21 9.616 16.014 -28.514 172 HD2 LYS 21 2HD LYS 21 9.950 17.787 -27.205 173 HD3 LYS 21 3HD LYS 21 9.728 16.711 -25.824 174 HE2 LYS 21 2HE LYS 21 12.384 17.117 -27.178 175 HE3 LYS 21 3HE LYS 21 11.837 18.107 -25.826 176 HZ1 LYS 21 1HZ LYS 21 11.886 16.300 -24.386 177 HZ2 LYS 21 2HZ LYS 21 13.284 16.093 -25.315 178 HZ3 LYS 21 3HZ LYS 21 11.909 15.160 -25.636 179 H ALA 22 H ALA 22 10.721 12.054 -28.178 180 HA ALA 22 HA ALA 22 11.615 13.032 -30.756 181 HB1 ALA 22 1HB ALA 22 13.540 11.662 -30.445 182 HB2 ALA 22 2HB ALA 22 13.185 12.435 -28.899 183 HB3 ALA 22 3HB ALA 22 12.752 10.745 -29.160 184 H GLY 23 H GLY 23 10.125 10.133 -29.404 185 HA2 GLY 23 2HA GLY 23 8.695 9.363 -31.595 186 HA3 GLY 23 3HA GLY 23 10.280 8.653 -31.865 187 H CYS 24 H CYS 24 11.116 7.196 -30.207 188 HA CYS 24 HA CYS 24 9.818 6.220 -28.010 189 HB2 CYS 24 2HB CYS 24 8.393 5.519 -30.400 190 HB3 CYS 24 3HB CYS 24 9.034 4.056 -29.659 191 H SER 25 H SER 25 11.952 5.897 -27.414 192 HA SER 25 HA SER 25 13.683 4.173 -28.938 193 HB2 SER 25 2HB SER 25 14.152 6.185 -27.163 194 HB3 SER 25 3HB SER 25 14.416 4.771 -26.142 195 HG SER 25 HG SER 25 16.222 4.437 -27.148 196 H ARG 26 H ARG 26 14.978 2.738 -26.939 197 HA ARG 26 HA ARG 26 13.237 0.483 -26.703 198 HB2 ARG 26 2HB ARG 26 15.182 -0.539 -25.488 199 HB3 ARG 26 3HB ARG 26 15.554 0.056 -27.101 200 HG2 ARG 26 2HG ARG 26 16.089 2.215 -25.457 201 HG3 ARG 26 3HG ARG 26 16.661 0.820 -24.540 202 HD2 ARG 26 2HD ARG 26 17.445 1.617 -27.338 203 HD3 ARG 26 3HD ARG 26 18.463 1.635 -25.899 204 HE ARG 26 HE ARG 26 17.618 -0.966 -26.169 205 HH11 ARG 26 1HH1 ARG 26 19.380 1.322 -28.114 206 HH12 ARG 26 2HH1 ARG 26 20.318 0.110 -28.923 207 HH21 ARG 26 1HH2 ARG 26 18.847 -2.570 -27.227 208 HH22 ARG 26 2HH2 ARG 26 20.013 -2.103 -28.418 209 HA PRO 27 HA PRO 27 11.493 1.175 -22.731 210 HB2 PRO 27 2HB PRO 27 11.154 -1.385 -21.895 211 HB3 PRO 27 3HB PRO 27 10.154 -0.644 -23.150 212 HG2 PRO 27 2HG PRO 27 12.506 -2.474 -23.437 213 HG3 PRO 27 3HG PRO 27 10.964 -2.487 -24.314 214 HD2 PRO 27 2HD PRO 27 13.229 -1.440 -25.366 215 HD3 PRO 27 3HD PRO 27 11.617 -0.798 -25.741 216 H GLU 28 H GLU 28 14.318 -0.895 -23.012 217 HA GLU 28 HA GLU 28 14.888 -1.071 -20.238 218 HB2 GLU 28 2HB GLU 28 15.857 -2.690 -21.712 219 HB3 GLU 28 3HB GLU 28 16.611 -1.437 -22.688 220 HG2 GLU 28 2HG GLU 28 17.356 -1.515 -19.833 221 HG3 GLU 28 3HG GLU 28 17.922 -2.846 -20.841 222 H GLU 29 H GLU 29 15.892 1.149 -22.792 223 HA GLU 29 HA GLU 29 17.723 2.589 -21.125 224 HB2 GLU 29 2HB GLU 29 18.117 2.582 -23.492 225 HB3 GLU 29 3HB GLU 29 16.505 3.204 -23.817 226 HG2 GLU 29 2HG GLU 29 18.057 4.981 -24.106 227 HG3 GLU 29 3HG GLU 29 17.138 5.295 -22.635 228 H VAL 30 H VAL 30 14.338 2.822 -21.910 229 HA VAL 30 HA VAL 30 13.827 5.470 -21.185 230 HB VAL 30 HB VAL 30 12.059 3.033 -20.961 231 HG11 VAL 30 1HG1 VAL 30 11.642 5.780 -20.068 232 HG12 VAL 30 2HG1 VAL 30 10.390 5.199 -21.168 233 HG13 VAL 30 3HG1 VAL 30 10.742 4.313 -19.684 234 HG21 VAL 30 1HG2 VAL 30 11.578 3.317 -23.123 235 HG22 VAL 30 2HG2 VAL 30 11.410 5.063 -22.943 236 HG23 VAL 30 3HG2 VAL 30 13.004 4.352 -23.188 237 H GLU 31 H GLU 31 14.197 2.578 -19.226 238 HA GLU 31 HA GLU 31 13.280 3.781 -16.799 239 HB2 GLU 31 2HB GLU 31 13.161 1.378 -17.063 240 HB3 GLU 31 3HB GLU 31 14.898 1.281 -17.311 241 HG2 GLU 31 2HG GLU 31 14.103 2.548 -14.795 242 HG3 GLU 31 3HG GLU 31 13.633 0.857 -14.949 243 H GLU 32 H GLU 32 16.375 3.425 -18.398 244 HA GLU 32 HA GLU 32 18.038 4.083 -16.224 245 HB2 GLU 32 2HB GLU 32 18.317 3.704 -19.079 246 HB3 GLU 32 3HB GLU 32 19.291 5.061 -18.530 247 HG2 GLU 32 2HG GLU 32 20.255 3.558 -16.785 248 HG3 GLU 32 3HG GLU 32 19.404 2.220 -17.555 249 H ARG 33 H ARG 33 16.548 6.090 -18.740 250 HA ARG 33 HA ARG 33 17.703 8.532 -17.986 251 HB2 ARG 33 2HB ARG 33 15.692 9.539 -19.151 252 HB3 ARG 33 3HB ARG 33 16.651 8.418 -20.108 253 HG2 ARG 33 2HG ARG 33 15.031 6.675 -19.794 254 HG3 ARG 33 3HG ARG 33 14.111 7.682 -18.673 255 HD2 ARG 33 2HD ARG 33 13.518 7.448 -21.280 256 HD3 ARG 33 3HD ARG 33 13.164 8.890 -20.330 257 HE ARG 33 HE ARG 33 14.794 10.028 -21.489 258 HH11 ARG 33 1HH1 ARG 33 15.020 6.622 -22.172 259 HH12 ARG 33 2HH1 ARG 33 16.150 6.824 -23.469 260 HH21 ARG 33 1HH2 ARG 33 16.281 10.307 -23.196 261 HH22 ARG 33 2HH2 ARG 33 16.867 8.921 -24.050 262 H ILE 34 H ILE 34 15.074 6.712 -16.642 263 HA ILE 34 HA ILE 34 13.661 8.689 -15.290 264 HB ILE 34 HB ILE 34 14.207 5.883 -14.315 265 HG12 ILE 34 2HG1 ILE 34 12.102 7.001 -16.171 266 HG13 ILE 34 3HG1 ILE 34 13.282 5.742 -16.519 267 HG21 ILE 34 1HG2 ILE 34 12.775 6.243 -12.642 268 HG22 ILE 34 2HG2 ILE 34 12.984 7.959 -12.985 269 HG23 ILE 34 3HG2 ILE 34 11.630 7.078 -13.692 270 HD11 ILE 34 1HD1 ILE 34 12.089 4.461 -14.607 271 HD12 ILE 34 2HD1 ILE 34 10.773 5.593 -14.921 272 HD13 ILE 34 3HD1 ILE 34 11.353 4.537 -16.208 273 H ARG 35 H ARG 35 16.643 7.030 -14.418 274 HA ARG 35 HA ARG 35 16.831 7.937 -11.764 275 HB2 ARG 35 2HB ARG 35 18.714 6.813 -13.769 276 HB3 ARG 35 3HB ARG 35 19.418 7.661 -12.399 277 HG2 ARG 35 2HG ARG 35 17.334 5.739 -11.677 278 HG3 ARG 35 3HG ARG 35 18.757 5.026 -12.439 279 HD2 ARG 35 2HD ARG 35 19.665 6.944 -10.568 280 HD3 ARG 35 3HD ARG 35 18.433 5.970 -9.766 281 HE ARG 35 HE ARG 35 19.860 4.178 -9.817 282 HH11 ARG 35 1HH1 ARG 35 21.040 6.650 -11.965 283 HH12 ARG 35 2HH1 ARG 35 22.554 5.860 -12.254 284 HH21 ARG 35 1HH2 ARG 35 21.851 3.127 -10.189 285 HH22 ARG 35 2HH2 ARG 35 23.014 3.855 -11.244 286 H ARG 36 H ARG 36 17.736 9.397 -14.824 287 HA ARG 36 HA ARG 36 19.347 11.476 -13.868 288 HB2 ARG 36 2HB ARG 36 19.226 10.938 -16.234 289 HB3 ARG 36 3HB ARG 36 17.528 11.393 -16.280 290 HG2 ARG 36 2HG ARG 36 17.989 13.649 -16.165 291 HG3 ARG 36 3HG ARG 36 19.575 13.392 -15.435 292 HD2 ARG 36 2HD ARG 36 20.512 12.695 -17.490 293 HD3 ARG 36 3HD ARG 36 18.925 12.529 -18.241 294 HE ARG 36 HE ARG 36 19.471 15.204 -17.383 295 HH11 ARG 36 1HH1 ARG 36 19.986 12.888 -19.930 296 HH12 ARG 36 2HH1 ARG 36 20.220 14.091 -21.155 297 HH21 ARG 36 1HH2 ARG 36 19.776 16.797 -18.986 298 HH22 ARG 36 2HH2 ARG 36 20.101 16.314 -20.617 299 H ALA 37 H ALA 37 15.845 11.387 -14.474 300 HA ALA 37 HA ALA 37 15.323 14.044 -13.697 301 HB1 ALA 37 1HB ALA 37 13.591 11.597 -13.875 302 HB2 ALA 37 2HB ALA 37 12.959 13.163 -13.364 303 HB3 ALA 37 3HB ALA 37 13.663 12.977 -14.970 304 H LEU 38 H LEU 38 15.589 11.055 -11.883 305 HA LEU 38 HA LEU 38 14.428 11.923 -9.475 306 HB2 LEU 38 2HB LEU 38 14.712 9.726 -9.226 307 HB3 LEU 38 3HB LEU 38 16.027 9.680 -10.398 308 HG LEU 38 HG LEU 38 17.504 10.565 -8.505 309 HD11 LEU 38 1HD1 LEU 38 14.993 10.521 -7.174 310 HD12 LEU 38 2HD1 LEU 38 16.565 11.022 -6.553 311 HD13 LEU 38 3HD1 LEU 38 16.055 9.340 -6.407 312 HD21 LEU 38 1HD2 LEU 38 17.305 8.119 -7.414 313 HD22 LEU 38 2HD2 LEU 38 18.077 8.431 -8.969 314 HD23 LEU 38 3HD2 LEU 38 16.411 7.854 -8.911 315 H LYS 39 H LYS 39 17.544 12.488 -10.893 316 HA LYS 39 HA LYS 39 19.073 13.143 -8.673 317 HB2 LYS 39 2HB LYS 39 19.997 12.977 -10.934 318 HB3 LYS 39 3HB LYS 39 19.111 14.418 -11.415 319 HG2 LYS 39 2HG LYS 39 20.652 15.055 -9.117 320 HG3 LYS 39 3HG LYS 39 21.694 14.230 -10.277 321 HD2 LYS 39 2HD LYS 39 21.736 16.626 -10.666 322 HD3 LYS 39 3HD LYS 39 20.964 15.802 -12.023 323 HE2 LYS 39 2HE LYS 39 18.772 16.390 -11.163 324 HE3 LYS 39 3HE LYS 39 19.506 17.143 -9.748 325 HZ1 LYS 39 1HZ LYS 39 18.830 18.716 -11.533 326 HZ2 LYS 39 2HZ LYS 39 20.017 18.038 -12.529 327 HZ3 LYS 39 3HZ LYS 39 20.462 18.825 -11.100 328 H LYS 40 H LYS 40 16.445 14.851 -10.131 329 HA LYS 40 HA LYS 40 16.954 17.458 -9.265 330 HB2 LYS 40 2HB LYS 40 15.186 17.019 -10.840 331 HB3 LYS 40 3HB LYS 40 14.341 16.001 -9.682 332 HG2 LYS 40 2HG LYS 40 14.002 17.984 -8.246 333 HG3 LYS 40 3HG LYS 40 14.752 18.978 -9.497 334 HD2 LYS 40 2HD LYS 40 12.866 19.045 -10.686 335 HD3 LYS 40 3HD LYS 40 12.660 17.295 -10.582 336 HE2 LYS 40 2HE LYS 40 11.953 19.202 -8.359 337 HE3 LYS 40 3HE LYS 40 10.803 18.650 -9.576 338 HZ1 LYS 40 1HZ LYS 40 12.283 16.921 -7.668 339 HZ2 LYS 40 2HZ LYS 40 11.215 16.369 -8.857 340 HZ3 LYS 40 3HZ LYS 40 10.642 17.320 -7.581 341 H MET 41 H MET 41 16.092 14.651 -7.492 342 HA MET 41 HA MET 41 15.272 16.233 -5.165 343 HB2 MET 41 2HB MET 41 15.289 13.229 -5.318 344 HB3 MET 41 3HB MET 41 14.342 14.265 -4.259 345 HG2 MET 41 2HG MET 41 13.545 15.039 -6.777 346 HG3 MET 41 3HG MET 41 13.761 13.297 -6.932 347 HE1 MET 41 1HE MET 41 12.770 15.849 -4.412 348 HE2 MET 41 2HE MET 41 11.167 16.045 -5.120 349 HE3 MET 41 3HE MET 41 11.355 15.200 -3.582 350 H GLY 42 H GLY 42 17.906 14.418 -6.435 351 HA2 GLY 42 2HA GLY 42 20.044 14.130 -5.637 352 HA3 GLY 42 3HA GLY 42 19.631 15.216 -4.319 353 H ASP 43 H ASP 43 17.330 12.891 -4.271 354 HA ASP 43 HA ASP 43 18.859 11.263 -2.349 355 HB2 ASP 43 2HB ASP 43 16.221 12.526 -2.205 356 HB3 ASP 43 3HB ASP 43 16.204 10.825 -1.749 357 H THR 44 H THR 44 19.528 9.866 -4.073 358 HA THR 44 HA THR 44 17.461 8.338 -5.442 359 HB THR 44 HB THR 44 19.146 7.461 -6.830 360 HG1 THR 44 HG1 THR 44 20.809 8.023 -4.646 361 HG21 THR 44 1HG2 THR 44 18.833 10.155 -6.609 362 HG22 THR 44 2HG2 THR 44 19.779 9.360 -7.867 363 HG23 THR 44 3HG2 THR 44 20.579 9.995 -6.429 364 H SER 45 H SER 45 18.371 8.185 -2.456 365 HA SER 45 HA SER 45 19.346 5.524 -2.129 366 HB2 SER 45 2HB SER 45 19.521 6.067 0.063 367 HB3 SER 45 3HB SER 45 19.187 7.706 -0.495 368 HG SER 45 HG SER 45 17.520 7.577 0.771 369 H CYS 46 H CYS 46 16.152 7.036 -1.882 370 HA CYS 46 HA CYS 46 14.899 4.460 -1.372 371 HB2 CYS 46 2HB CYS 46 14.199 6.609 -0.219 372 HB3 CYS 46 3HB CYS 46 13.527 7.120 -1.764 373 H PHE 47 H PHE 47 15.520 6.607 -3.995 374 HA PHE 47 HA PHE 47 13.438 5.674 -5.717 375 HB2 PHE 47 2HB PHE 47 14.838 7.884 -5.820 376 HB3 PHE 47 3HB PHE 47 15.973 6.903 -6.742 377 HD1 PHE 47 HD1 PHE 47 15.030 5.644 -8.779 378 HD2 PHE 47 HD2 PHE 47 13.045 8.893 -6.876 379 HE1 PHE 47 HE1 PHE 47 13.700 6.019 -10.815 380 HE2 PHE 47 HE2 PHE 47 11.711 9.273 -8.909 381 HZ PHE 47 HZ PHE 47 12.037 7.835 -10.881 382 H ASP 48 H ASP 48 16.734 4.726 -5.049 383 HA ASP 48 HA ASP 48 17.324 3.188 -7.277 384 HB2 ASP 48 2HB ASP 48 18.893 3.724 -5.402 385 HB3 ASP 48 3HB ASP 48 18.071 2.510 -4.426 386 H GLU 49 H GLU 49 15.334 2.421 -4.485 387 HA GLU 49 HA GLU 49 15.019 -0.346 -5.182 388 HB2 GLU 49 2HB GLU 49 13.283 1.283 -3.325 389 HB3 GLU 49 3HB GLU 49 13.478 -0.464 -3.347 390 HG2 GLU 49 2HG GLU 49 15.897 -0.088 -2.763 391 HG3 GLU 49 3HG GLU 49 15.482 1.604 -2.492 392 H ILE 50 H ILE 50 13.038 2.578 -5.474 393 HA ILE 50 HA ILE 50 10.796 1.279 -6.631 394 HB ILE 50 HB ILE 50 9.854 3.376 -6.923 395 HG12 ILE 50 2HG1 ILE 50 11.620 5.418 -6.827 396 HG13 ILE 50 3HG1 ILE 50 12.629 4.185 -7.576 397 HG21 ILE 50 1HG2 ILE 50 9.948 4.166 -4.827 398 HG22 ILE 50 2HG2 ILE 50 11.080 2.843 -4.551 399 HG23 ILE 50 3HG2 ILE 50 11.685 4.459 -4.912 400 HD11 ILE 50 1HD1 ILE 50 10.444 5.737 -8.686 401 HD12 ILE 50 2HD1 ILE 50 11.741 4.857 -9.496 402 HD13 ILE 50 3HD1 ILE 50 10.282 4.007 -8.989 403 H LEU 51 H LEU 51 13.768 2.559 -7.913 404 HA LEU 51 HA LEU 51 13.080 2.902 -10.591 405 HB2 LEU 51 2HB LEU 51 15.272 3.248 -10.921 406 HB3 LEU 51 3HB LEU 51 15.338 3.215 -9.160 407 HG LEU 51 HG LEU 51 15.798 0.668 -9.505 408 HD11 LEU 51 1HD1 LEU 51 17.346 0.737 -11.712 409 HD12 LEU 51 2HD1 LEU 51 16.015 1.775 -12.223 410 HD13 LEU 51 3HD1 LEU 51 15.692 0.127 -11.686 411 HD21 LEU 51 1HD2 LEU 51 17.422 2.982 -9.242 412 HD22 LEU 51 2HD2 LEU 51 18.254 1.844 -10.302 413 HD23 LEU 51 3HD2 LEU 51 17.747 1.339 -8.689 414 H LYS 52 H LYS 52 13.729 0.003 -8.763 415 HA LYS 52 HA LYS 52 14.091 -1.739 -10.979 416 HB2 LYS 52 2HB LYS 52 13.916 -1.960 -8.085 417 HB3 LYS 52 3HB LYS 52 13.088 -3.287 -8.890 418 HG2 LYS 52 2HG LYS 52 15.309 -3.995 -8.503 419 HG3 LYS 52 3HG LYS 52 15.181 -3.648 -10.229 420 HD2 LYS 52 2HD LYS 52 16.162 -1.405 -9.789 421 HD3 LYS 52 3HD LYS 52 16.405 -1.886 -8.108 422 HE2 LYS 52 2HE LYS 52 18.291 -2.935 -8.634 423 HE3 LYS 52 3HE LYS 52 17.460 -3.898 -9.855 424 HZ1 LYS 52 1HZ LYS 52 19.125 -1.564 -10.172 425 HZ2 LYS 52 2HZ LYS 52 17.696 -1.515 -11.075 426 HZ3 LYS 52 3HZ LYS 52 18.776 -2.802 -11.271 427 H GLY 53 H GLY 53 11.288 -0.881 -8.979 428 HA2 GLY 53 2HA GLY 53 9.507 -2.655 -10.356 429 HA3 GLY 53 3HA GLY 53 9.051 -1.396 -9.218 430 H LEU 54 H LEU 54 10.777 0.419 -11.082 431 HA LEU 54 HA LEU 54 8.532 1.375 -12.599 432 HB2 LEU 54 2HB LEU 54 10.769 2.532 -11.525 433 HB3 LEU 54 3HB LEU 54 11.156 2.494 -13.243 434 HG LEU 54 HG LEU 54 8.690 3.765 -12.057 435 HD11 LEU 54 1HD1 LEU 54 10.262 5.260 -11.379 436 HD12 LEU 54 2HD1 LEU 54 10.043 5.826 -13.034 437 HD13 LEU 54 3HD1 LEU 54 11.412 4.791 -12.631 438 HD21 LEU 54 1HD2 LEU 54 9.738 3.425 -14.833 439 HD22 LEU 54 2HD2 LEU 54 8.799 4.860 -14.420 440 HD23 LEU 54 3HD2 LEU 54 8.092 3.255 -14.224 441 H LYS 55 H LYS 55 9.342 -1.250 -13.338 442 HA LYS 55 HA LYS 55 10.603 -0.897 -15.958 443 HB2 LYS 55 2HB LYS 55 10.460 -3.471 -15.937 444 HB3 LYS 55 3HB LYS 55 11.611 -2.695 -14.858 445 HG2 LYS 55 2HG LYS 55 10.464 -4.493 -13.722 446 HG3 LYS 55 3HG LYS 55 10.029 -2.940 -13.004 447 HD2 LYS 55 2HD LYS 55 7.892 -2.970 -13.944 448 HD3 LYS 55 3HD LYS 55 8.339 -4.179 -15.150 449 HE2 LYS 55 2HE LYS 55 7.036 -5.348 -13.592 450 HE3 LYS 55 3HE LYS 55 8.700 -5.759 -13.178 451 HZ1 LYS 55 1HZ LYS 55 8.437 -4.895 -11.168 452 HZ2 LYS 55 2HZ LYS 55 6.787 -4.722 -11.496 453 HZ3 LYS 55 3HZ LYS 55 7.846 -3.435 -11.785 454 H GLU 56 H GLU 56 7.841 -0.037 -15.311 455 HA GLU 56 HA GLU 56 6.350 -1.786 -17.152 456 HB2 GLU 56 2HB GLU 56 5.439 -0.001 -14.905 457 HB3 GLU 56 3HB GLU 56 4.326 -0.574 -16.140 458 HG2 GLU 56 2HG GLU 56 4.223 -2.629 -15.271 459 HG3 GLU 56 3HG GLU 56 5.951 -2.681 -14.931 460 H ILE 57 H ILE 57 7.882 -0.324 -18.603 461 HA ILE 57 HA ILE 57 6.859 2.313 -19.139 462 HB ILE 57 HB ILE 57 9.242 1.784 -19.468 463 HG12 ILE 57 2HG1 ILE 57 9.494 2.880 -21.652 464 HG13 ILE 57 3HG1 ILE 57 7.811 2.529 -22.029 465 HG21 ILE 57 1HG2 ILE 57 8.886 0.429 -22.026 466 HG22 ILE 57 2HG2 ILE 57 9.996 0.080 -20.702 467 HG23 ILE 57 3HG2 ILE 57 8.338 -0.521 -20.645 468 HD11 ILE 57 1HD1 ILE 57 8.283 4.867 -21.288 469 HD12 ILE 57 2HD1 ILE 57 7.044 4.025 -20.357 470 HD13 ILE 57 3HD1 ILE 57 8.668 4.215 -19.695 471 H LYS 58 H LYS 58 5.366 2.896 -20.588 472 HA LYS 58 HA LYS 58 4.445 0.880 -22.529 473 HB2 LYS 58 2HB LYS 58 2.853 2.663 -20.713 474 HB3 LYS 58 3HB LYS 58 2.167 2.104 -22.233 475 HG2 LYS 58 2HG LYS 58 1.403 0.520 -20.756 476 HG3 LYS 58 3HG LYS 58 2.864 -0.249 -21.380 477 HD2 LYS 58 2HD LYS 58 3.977 -0.043 -19.409 478 HD3 LYS 58 3HD LYS 58 3.170 1.469 -18.987 479 HE2 LYS 58 2HE LYS 58 1.110 -0.338 -18.939 480 HE3 LYS 58 3HE LYS 58 2.463 -1.292 -18.333 481 HZ1 LYS 58 1HZ LYS 58 1.894 -0.359 -16.391 482 HZ2 LYS 58 2HZ LYS 58 1.079 0.937 -17.110 483 HZ3 LYS 58 3HZ LYS 58 2.763 0.978 -16.957 484 H CYS 59 H CYS 59 6.369 2.590 -23.309 485 HA CYS 59 HA CYS 59 5.792 5.097 -24.226 486 HB2 CYS 59 2HB CYS 59 7.992 3.982 -24.453 487 HB3 CYS 59 3HB CYS 59 7.336 2.989 -25.751 488 H GLY 60 H GLY 60 5.172 2.053 -25.976 489 HA2 GLY 60 2HA GLY 60 3.129 3.508 -27.536 490 HA3 GLY 60 3HA GLY 60 4.221 2.358 -28.292 491 H GLY 61 H GLY 61 3.200 1.537 -25.134 492 HA2 GLY 61 2HA GLY 61 1.117 0.375 -24.602 493 HA3 GLY 61 3HA GLY 61 1.124 -0.246 -26.246 494 H SER 62 H SER 62 1.452 -2.363 -26.200 495 HA SER 62 HA SER 62 2.990 -3.593 -24.084 496 HB2 SER 62 2HB SER 62 1.165 -4.922 -24.626 497 HB3 SER 62 3HB SER 62 1.308 -4.594 -26.353 498 HG SER 62 HG SER 62 3.258 -6.064 -24.927 499 H TRP 63 H TRP 63 5.077 -4.085 -24.166 500 HA TRP 63 HA TRP 63 6.426 -5.025 -26.452 501 HB2 TRP 63 2HB TRP 63 7.829 -3.164 -27.029 502 HB3 TRP 63 3HB TRP 63 6.157 -2.614 -27.098 503 HD1 TRP 63 HD1 TRP 63 6.191 -2.378 -23.713 504 HE1 TRP 63 HE1 TRP 63 7.191 -0.204 -22.766 505 HE3 TRP 63 HE3 TRP 63 8.847 -0.856 -27.808 506 HZ2 TRP 63 HZ2 TRP 63 8.882 1.881 -23.639 507 HZ3 TRP 63 HZ3 TRP 63 10.128 1.240 -27.670 508 HH2 TRP 63 HH2 TRP 63 10.143 2.579 -25.628 509 H LEU 64 H LEU 64 8.864 -5.065 -26.073 510 HA LEU 64 HA LEU 64 9.580 -4.949 -23.242 511 HB2 LEU 64 2HB LEU 64 8.776 -7.308 -24.289 512 HB3 LEU 64 3HB LEU 64 10.500 -7.370 -24.646 513 HG LEU 64 HG LEU 64 10.567 -6.679 -22.034 514 HD11 LEU 64 1HD1 LEU 64 8.931 -8.102 -20.860 515 HD12 LEU 64 2HD1 LEU 64 8.122 -8.404 -22.397 516 HD13 LEU 64 3HD1 LEU 64 8.175 -6.771 -21.735 517 HD21 LEU 64 1HD2 LEU 64 11.867 -8.471 -22.235 518 HD22 LEU 64 2HD2 LEU 64 10.950 -9.062 -23.621 519 HD23 LEU 64 3HD2 LEU 64 10.426 -9.456 -21.983 520 H GLU 65 H GLU 65 12.026 -5.746 -23.097 521 HA GLU 65 HA GLU 65 13.467 -4.041 -24.971 522 HB2 GLU 65 2HB GLU 65 15.377 -4.378 -23.393 523 HB3 GLU 65 3HB GLU 65 13.959 -3.641 -22.660 524 HG2 GLU 65 2HG GLU 65 13.738 -5.292 -21.195 525 HG3 GLU 65 3HG GLU 65 13.918 -6.528 -22.439 526 H HIS 66 H HIS 66 14.745 -4.777 -26.546 527 HA HIS 66 HA HIS 66 15.701 -6.232 -28.017 528 HB2 HIS 66 2HB HIS 66 17.259 -6.302 -25.988 529 HB3 HIS 66 3HB HIS 66 16.504 -7.845 -25.600 530 HD1 HIS 66 HD1 HIS 66 16.980 -7.193 -29.196 531 HD2 HIS 66 HD2 HIS 66 19.077 -9.007 -26.102 532 HE1 HIS 66 HE1 HIS 66 18.781 -8.549 -30.310 Start of MODEL 17 1 H1 ALA 1 H ALA 1 2.979 -2.102 -3.092 2 HA ALA 1 HA ALA 1 1.815 0.237 -1.726 3 HB1 ALA 1 1HB ALA 1 1.986 -0.975 0.385 4 HB2 ALA 1 2HB ALA 1 0.959 -1.837 -0.762 5 HB3 ALA 1 3HB ALA 1 2.609 -2.387 -0.469 6 H SER 2 H SER 2 4.119 0.429 -3.277 7 HA SER 2 HA SER 2 6.495 0.098 -1.754 8 HB2 SER 2 2HB SER 2 5.829 0.871 -4.396 9 HB3 SER 2 3HB SER 2 6.784 2.184 -3.707 10 HG SER 2 HG SER 2 8.483 0.953 -3.780 11 HA PRO 3 HA PRO 3 6.416 3.617 0.875 12 HB2 PRO 3 2HB PRO 3 9.080 4.058 1.157 13 HB3 PRO 3 3HB PRO 3 8.245 2.702 1.923 14 HG2 PRO 3 2HG PRO 3 9.873 2.750 -0.589 15 HG3 PRO 3 3HG PRO 3 9.867 1.551 0.718 16 HD2 PRO 3 2HD PRO 3 8.554 1.166 -1.619 17 HD3 PRO 3 3HD PRO 3 7.970 0.510 -0.076 18 H CYS 4 H CYS 4 8.506 3.795 -1.983 19 HA CYS 4 HA CYS 4 7.896 6.674 -2.153 20 HB2 CYS 4 2HB CYS 4 10.440 5.201 -2.834 21 HB3 CYS 4 3HB CYS 4 10.099 6.824 -3.427 22 H ASP 5 H ASP 5 6.261 4.662 -3.255 23 HA ASP 5 HA ASP 5 6.841 4.202 -5.998 24 HB2 ASP 5 2HB ASP 5 4.946 3.290 -4.184 25 HB3 ASP 5 3HB ASP 5 4.000 4.210 -5.350 26 H LYS 6 H LYS 6 5.296 6.785 -4.247 27 HA LYS 6 HA LYS 6 3.885 8.003 -6.339 28 HB2 LYS 6 2HB LYS 6 4.079 10.081 -4.964 29 HB3 LYS 6 3HB LYS 6 3.484 8.686 -4.073 30 HG2 LYS 6 2HG LYS 6 5.884 8.347 -3.307 31 HG3 LYS 6 3HG LYS 6 6.194 9.966 -3.937 32 HD2 LYS 6 2HD LYS 6 3.851 9.647 -2.154 33 HD3 LYS 6 3HD LYS 6 5.445 9.505 -1.410 34 HE2 LYS 6 2HE LYS 6 5.529 11.730 -3.147 35 HE3 LYS 6 3HE LYS 6 4.036 11.856 -2.219 36 HZ1 LYS 6 1HZ LYS 6 5.148 12.263 -0.335 37 HZ2 LYS 6 2HZ LYS 6 6.433 12.682 -1.352 38 HZ3 LYS 6 3HZ LYS 6 6.366 11.136 -0.668 39 H GLN 7 H GLN 7 7.270 8.020 -5.518 40 HA GLN 7 HA GLN 7 8.035 10.285 -7.028 41 HB2 GLN 7 2HB GLN 7 9.469 7.922 -5.886 42 HB3 GLN 7 3HB GLN 7 10.309 8.958 -7.032 43 HG2 GLN 7 2HG GLN 7 10.818 9.650 -4.789 44 HG3 GLN 7 3HG GLN 7 9.854 10.892 -5.586 45 HE21 GLN 7 1HE2 GLN 7 8.762 7.854 -4.176 46 HE22 GLN 7 2HE2 GLN 7 7.760 8.566 -2.963 47 H LYS 8 H LYS 8 7.464 6.941 -7.850 48 HA LYS 8 HA LYS 8 8.743 6.978 -10.387 49 HB2 LYS 8 2HB LYS 8 7.993 4.823 -10.629 50 HB3 LYS 8 3HB LYS 8 7.886 4.982 -8.881 51 HG2 LYS 8 2HG LYS 8 5.841 4.097 -9.292 52 HG3 LYS 8 3HG LYS 8 5.442 5.807 -9.473 53 HD2 LYS 8 2HD LYS 8 5.241 5.659 -11.749 54 HD3 LYS 8 3HD LYS 8 6.385 4.321 -11.872 55 HE2 LYS 8 2HE LYS 8 3.926 3.720 -10.382 56 HE3 LYS 8 3HE LYS 8 3.688 4.078 -12.091 57 HZ1 LYS 8 1HZ LYS 8 5.522 2.405 -12.496 58 HZ2 LYS 8 2HZ LYS 8 4.037 1.783 -11.978 59 HZ3 LYS 8 3HZ LYS 8 5.321 1.927 -10.886 60 H ASN 9 H ASN 9 5.534 7.814 -9.258 61 HA ASN 9 HA ASN 9 4.333 7.968 -11.839 62 HB2 ASN 9 2HB ASN 9 3.251 7.804 -9.442 63 HB3 ASN 9 3HB ASN 9 3.315 9.562 -9.520 64 HD21 ASN 9 1HD2 ASN 9 1.087 9.750 -9.551 65 HD22 ASN 9 2HD2 ASN 9 0.143 9.337 -10.938 66 H TYR 10 H TYR 10 5.979 10.251 -9.731 67 HA TYR 10 HA TYR 10 5.325 12.580 -11.222 68 HB2 TYR 10 2HB TYR 10 5.993 13.110 -9.077 69 HB3 TYR 10 3HB TYR 10 7.280 11.909 -9.065 70 HD1 TYR 10 HD1 TYR 10 6.326 15.202 -10.503 71 HD2 TYR 10 HD2 TYR 10 9.492 12.532 -9.526 72 HE1 TYR 10 HE1 TYR 10 7.963 16.963 -11.022 73 HE2 TYR 10 HE2 TYR 10 11.138 14.286 -10.041 74 HH TYR 10 HH TYR 10 10.948 16.550 -11.719 75 H ILE 11 H ILE 11 8.019 10.307 -11.287 76 HA ILE 11 HA ILE 11 9.476 11.816 -13.264 77 HB ILE 11 HB ILE 11 9.918 8.993 -12.284 78 HG12 ILE 11 2HG1 ILE 11 10.109 10.719 -10.515 79 HG13 ILE 11 3HG1 ILE 11 11.650 9.945 -10.865 80 HG21 ILE 11 1HG2 ILE 11 12.324 9.785 -13.143 81 HG22 ILE 11 2HG2 ILE 11 11.164 8.948 -14.173 82 HG23 ILE 11 3HG2 ILE 11 11.308 10.704 -14.252 83 HD11 ILE 11 1HD1 ILE 11 10.808 12.599 -11.997 84 HD12 ILE 11 2HD1 ILE 11 11.780 12.400 -10.539 85 HD13 ILE 11 3HD1 ILE 11 12.400 11.846 -12.094 86 H ASP 12 H ASP 12 7.511 8.872 -13.203 87 HA ASP 12 HA ASP 12 7.902 8.148 -15.899 88 HB2 ASP 12 2HB ASP 12 6.981 6.643 -14.137 89 HB3 ASP 12 3HB ASP 12 5.486 7.574 -14.173 90 H LYS 13 H LYS 13 5.739 10.403 -14.343 91 HA LYS 13 HA LYS 13 4.104 10.779 -16.694 92 HB2 LYS 13 2HB LYS 13 2.831 12.281 -15.402 93 HB3 LYS 13 3HB LYS 13 3.327 11.026 -14.274 94 HG2 LYS 13 2HG LYS 13 5.043 12.444 -13.368 95 HG3 LYS 13 3HG LYS 13 4.714 13.680 -14.584 96 HD2 LYS 13 2HD LYS 13 3.692 14.279 -12.459 97 HD3 LYS 13 3HD LYS 13 2.451 13.960 -13.674 98 HE2 LYS 13 2HE LYS 13 2.197 11.678 -12.757 99 HE3 LYS 13 3HE LYS 13 3.371 12.076 -11.504 100 HZ1 LYS 13 1HZ LYS 13 1.348 14.042 -11.580 101 HZ2 LYS 13 2HZ LYS 13 1.777 13.011 -10.310 102 HZ3 LYS 13 3HZ LYS 13 0.635 12.512 -11.454 103 H GLN 14 H GLN 14 6.915 12.232 -15.253 104 HA GLN 14 HA GLN 14 6.784 14.539 -17.031 105 HB2 GLN 14 2HB GLN 14 7.550 14.504 -14.520 106 HB3 GLN 14 3HB GLN 14 9.088 13.992 -15.201 107 HG2 GLN 14 2HG GLN 14 9.498 16.188 -15.294 108 HG3 GLN 14 3HG GLN 14 8.542 16.113 -16.773 109 HE21 GLN 14 1HE2 GLN 14 6.010 15.860 -15.789 110 HE22 GLN 14 2HE2 GLN 14 5.576 17.284 -14.913 111 H LEU 15 H LEU 15 8.013 11.413 -17.046 112 HA LEU 15 HA LEU 15 10.145 12.105 -18.947 113 HB2 LEU 15 2HB LEU 15 10.737 10.721 -16.973 114 HB3 LEU 15 3HB LEU 15 9.633 9.479 -17.559 115 HG LEU 15 HG LEU 15 11.349 9.953 -19.698 116 HD11 LEU 15 1HD1 LEU 15 13.274 9.330 -17.609 117 HD12 LEU 15 2HD1 LEU 15 12.646 10.974 -17.497 118 HD13 LEU 15 3HD1 LEU 15 13.409 10.421 -18.988 119 HD21 LEU 15 1HD2 LEU 15 11.824 7.773 -17.705 120 HD22 LEU 15 2HD2 LEU 15 11.876 7.711 -19.467 121 HD23 LEU 15 3HD2 LEU 15 10.325 7.822 -18.633 122 H LEU 16 H LEU 16 6.979 11.038 -18.828 123 HA LEU 16 HA LEU 16 7.007 9.174 -20.989 124 HB2 LEU 16 2HB LEU 16 5.122 10.181 -19.131 125 HB3 LEU 16 3HB LEU 16 4.472 10.454 -20.747 126 HG LEU 16 HG LEU 16 4.581 8.099 -21.242 127 HD11 LEU 16 1HD1 LEU 16 6.080 6.797 -20.263 128 HD12 LEU 16 2HD1 LEU 16 5.191 6.934 -18.747 129 HD13 LEU 16 3HD1 LEU 16 6.483 8.076 -19.117 130 HD21 LEU 16 1HD2 LEU 16 3.158 9.097 -18.867 131 HD22 LEU 16 2HD2 LEU 16 3.254 7.341 -19.014 132 HD23 LEU 16 3HD2 LEU 16 2.539 8.298 -20.313 133 HA PRO 17 HA PRO 17 5.677 13.246 -23.334 134 HB2 PRO 17 2HB PRO 17 6.949 15.466 -22.427 135 HB3 PRO 17 3HB PRO 17 5.364 14.958 -21.833 136 HG2 PRO 17 2HG PRO 17 8.065 14.552 -20.608 137 HG3 PRO 17 3HG PRO 17 6.544 15.027 -19.831 138 HD2 PRO 17 2HD PRO 17 7.496 12.495 -19.739 139 HD3 PRO 17 3HD PRO 17 5.759 12.861 -19.754 140 H ILE 18 H ILE 18 8.927 13.061 -21.915 141 HA ILE 18 HA ILE 18 10.212 13.954 -24.328 142 HB ILE 18 HB ILE 18 12.320 13.329 -23.157 143 HG12 ILE 18 2HG1 ILE 18 10.550 12.725 -20.786 144 HG13 ILE 18 3HG1 ILE 18 11.210 11.470 -21.829 145 HG21 ILE 18 1HG2 ILE 18 11.093 15.548 -22.928 146 HG22 ILE 18 2HG2 ILE 18 10.570 14.967 -21.348 147 HG23 ILE 18 3HG2 ILE 18 12.289 15.164 -21.690 148 HD11 ILE 18 1HD1 ILE 18 13.078 11.475 -20.656 149 HD12 ILE 18 2HD1 ILE 18 13.332 13.179 -21.036 150 HD13 ILE 18 3HD1 ILE 18 12.410 12.722 -19.604 151 H VAL 19 H VAL 19 9.057 10.974 -23.137 152 HA VAL 19 HA VAL 19 10.880 9.304 -24.624 153 HB VAL 19 HB VAL 19 8.388 8.741 -23.037 154 HG11 VAL 19 1HG1 VAL 19 9.681 7.071 -25.091 155 HG12 VAL 19 2HG1 VAL 19 9.330 6.269 -23.559 156 HG13 VAL 19 3HG1 VAL 19 8.030 7.038 -24.472 157 HG21 VAL 19 1HG2 VAL 19 11.005 9.033 -22.294 158 HG22 VAL 19 2HG2 VAL 19 9.781 8.146 -21.385 159 HG23 VAL 19 3HG2 VAL 19 10.861 7.285 -22.480 160 H ASN 20 H ASN 20 7.427 10.144 -24.871 161 HA ASN 20 HA ASN 20 7.177 8.842 -27.430 162 HB2 ASN 20 2HB ASN 20 5.397 9.500 -25.443 163 HB3 ASN 20 3HB ASN 20 5.051 10.717 -26.668 164 HD21 ASN 20 1HD2 ASN 20 4.517 7.566 -25.666 165 HD22 ASN 20 2HD2 ASN 20 3.752 6.967 -27.095 166 H LYS 21 H LYS 21 8.441 11.748 -26.440 167 HA LYS 21 HA LYS 21 7.494 13.575 -28.346 168 HB2 LYS 21 2HB LYS 21 8.705 14.507 -26.571 169 HB3 LYS 21 3HB LYS 21 10.033 13.369 -26.755 170 HG2 LYS 21 2HG LYS 21 10.819 14.476 -28.706 171 HG3 LYS 21 3HG LYS 21 9.371 15.482 -28.790 172 HD2 LYS 21 2HD LYS 21 10.589 17.010 -27.694 173 HD3 LYS 21 3HD LYS 21 10.308 16.008 -26.268 174 HE2 LYS 21 2HE LYS 21 12.676 15.831 -28.130 175 HE3 LYS 21 3HE LYS 21 12.676 16.546 -26.518 176 HZ1 LYS 21 1HZ LYS 21 11.714 14.110 -26.006 177 HZ2 LYS 21 2HZ LYS 21 13.355 14.509 -25.918 178 HZ3 LYS 21 3HZ LYS 21 12.740 13.759 -27.304 179 H ALA 22 H ALA 22 10.294 11.391 -28.429 180 HA ALA 22 HA ALA 22 10.896 12.132 -31.167 181 HB1 ALA 22 1HB ALA 22 12.924 11.220 -30.827 182 HB2 ALA 22 2HB ALA 22 12.473 11.323 -29.125 183 HB3 ALA 22 3HB ALA 22 12.268 9.806 -30.002 184 H GLY 23 H GLY 23 9.545 9.388 -29.403 185 HA2 GLY 23 2HA GLY 23 7.825 8.470 -31.296 186 HA3 GLY 23 3HA GLY 23 9.353 7.735 -31.757 187 H CYS 24 H CYS 24 10.477 6.469 -30.054 188 HA CYS 24 HA CYS 24 9.453 5.623 -27.667 189 HB2 CYS 24 2HB CYS 24 7.832 4.674 -29.841 190 HB3 CYS 24 3HB CYS 24 8.603 3.305 -29.046 191 H SER 25 H SER 25 11.635 5.410 -27.252 192 HA SER 25 HA SER 25 13.311 3.684 -28.823 193 HB2 SER 25 2HB SER 25 13.778 5.766 -27.071 194 HB3 SER 25 3HB SER 25 14.296 4.355 -26.149 195 HG SER 25 HG SER 25 15.782 5.527 -27.783 196 H ARG 26 H ARG 26 14.816 2.376 -26.893 197 HA ARG 26 HA ARG 26 13.190 0.069 -26.432 198 HB2 ARG 26 2HB ARG 26 15.272 -0.835 -25.355 199 HB3 ARG 26 3HB ARG 26 15.477 -0.293 -27.016 200 HG2 ARG 26 2HG ARG 26 16.027 1.888 -25.267 201 HG3 ARG 26 3HG ARG 26 16.938 0.474 -24.732 202 HD2 ARG 26 2HD ARG 26 16.948 1.724 -27.474 203 HD3 ARG 26 3HD ARG 26 18.270 1.703 -26.308 204 HE ARG 26 HE ARG 26 17.483 -0.424 -28.085 205 HH11 ARG 26 1HH1 ARG 26 19.167 0.412 -25.155 206 HH12 ARG 26 2HH1 ARG 26 20.174 -0.997 -25.177 207 HH21 ARG 26 1HH2 ARG 26 18.804 -2.284 -28.126 208 HH22 ARG 26 2HH2 ARG 26 19.967 -2.530 -26.868 209 HA PRO 27 HA PRO 27 11.779 0.826 -22.342 210 HB2 PRO 27 2HB PRO 27 11.665 -1.710 -21.378 211 HB3 PRO 27 3HB PRO 27 10.516 -1.080 -22.565 212 HG2 PRO 27 2HG PRO 27 12.936 -2.791 -22.993 213 HG3 PRO 27 3HG PRO 27 11.326 -2.927 -23.724 214 HD2 PRO 27 2HD PRO 27 13.424 -1.807 -25.018 215 HD3 PRO 27 3HD PRO 27 11.750 -1.271 -25.270 216 H GLU 28 H GLU 28 14.701 -1.056 -22.815 217 HA GLU 28 HA GLU 28 15.535 -1.173 -20.122 218 HB2 GLU 28 2HB GLU 28 16.547 -2.645 -21.716 219 HB3 GLU 28 3HB GLU 28 17.076 -1.298 -22.713 220 HG2 GLU 28 2HG GLU 28 18.952 -2.196 -21.519 221 HG3 GLU 28 3HG GLU 28 18.587 -0.583 -20.908 222 H GLU 29 H GLU 29 16.095 1.183 -22.695 223 HA GLU 29 HA GLU 29 17.872 2.793 -21.125 224 HB2 GLU 29 2HB GLU 29 16.405 3.344 -23.708 225 HB3 GLU 29 3HB GLU 29 17.557 4.453 -22.978 226 HG2 GLU 29 2HG GLU 29 18.238 1.633 -23.762 227 HG3 GLU 29 3HG GLU 29 18.459 3.025 -24.820 228 H VAL 30 H VAL 30 14.435 2.699 -21.729 229 HA VAL 30 HA VAL 30 13.726 5.268 -20.872 230 HB VAL 30 HB VAL 30 12.147 2.704 -20.623 231 HG11 VAL 30 1HG1 VAL 30 10.420 4.875 -20.938 232 HG12 VAL 30 2HG1 VAL 30 10.665 3.908 -19.482 233 HG13 VAL 30 3HG1 VAL 30 11.595 5.387 -19.726 234 HG21 VAL 30 1HG2 VAL 30 11.421 4.646 -22.687 235 HG22 VAL 30 2HG2 VAL 30 13.012 3.921 -22.913 236 HG23 VAL 30 3HG2 VAL 30 11.585 2.893 -22.786 237 H GLU 31 H GLU 31 14.287 2.290 -19.065 238 HA GLU 31 HA GLU 31 13.356 3.205 -16.566 239 HB2 GLU 31 2HB GLU 31 13.662 0.851 -16.920 240 HB3 GLU 31 3HB GLU 31 15.365 1.074 -17.296 241 HG2 GLU 31 2HG GLU 31 15.760 1.804 -14.984 242 HG3 GLU 31 3HG GLU 31 14.061 1.511 -14.619 243 H GLU 32 H GLU 32 16.521 3.345 -18.123 244 HA GLU 32 HA GLU 32 17.947 4.340 -15.896 245 HB2 GLU 32 2HB GLU 32 18.447 3.879 -18.724 246 HB3 GLU 32 3HB GLU 32 19.234 5.342 -18.149 247 HG2 GLU 32 2HG GLU 32 20.243 4.006 -16.314 248 HG3 GLU 32 3HG GLU 32 19.560 2.559 -17.054 249 H ARG 33 H ARG 33 16.102 5.895 -18.451 250 HA ARG 33 HA ARG 33 16.935 8.537 -18.034 251 HB2 ARG 33 2HB ARG 33 14.174 7.666 -18.896 252 HB3 ARG 33 3HB ARG 33 14.965 9.198 -19.245 253 HG2 ARG 33 2HG ARG 33 16.618 7.082 -20.193 254 HG3 ARG 33 3HG ARG 33 14.972 6.833 -20.779 255 HD2 ARG 33 2HD ARG 33 15.645 8.236 -22.415 256 HD3 ARG 33 3HD ARG 33 15.224 9.469 -21.227 257 HE ARG 33 HE ARG 33 17.452 9.970 -20.999 258 HH11 ARG 33 1HH1 ARG 33 17.109 6.962 -22.717 259 HH12 ARG 33 2HH1 ARG 33 18.785 6.865 -23.145 260 HH21 ARG 33 1HH2 ARG 33 19.660 9.854 -21.556 261 HH22 ARG 33 2HH2 ARG 33 20.235 8.510 -22.483 262 H ILE 34 H ILE 34 14.581 6.551 -16.369 263 HA ILE 34 HA ILE 34 13.204 8.550 -14.971 264 HB ILE 34 HB ILE 34 13.813 5.752 -14.011 265 HG12 ILE 34 2HG1 ILE 34 11.508 6.812 -15.661 266 HG13 ILE 34 3HG1 ILE 34 12.770 5.718 -16.220 267 HG21 ILE 34 1HG2 ILE 34 11.268 6.944 -13.261 268 HG22 ILE 34 2HG2 ILE 34 12.470 6.121 -12.268 269 HG23 ILE 34 3HG2 ILE 34 12.655 7.836 -12.635 270 HD11 ILE 34 1HD1 ILE 34 11.564 4.578 -13.920 271 HD12 ILE 34 2HD1 ILE 34 10.290 5.086 -15.030 272 HD13 ILE 34 3HD1 ILE 34 11.557 3.990 -15.583 273 H ARG 35 H ARG 35 16.230 6.885 -14.267 274 HA ARG 35 HA ARG 35 16.567 7.859 -11.639 275 HB2 ARG 35 2HB ARG 35 18.303 6.587 -13.687 276 HB3 ARG 35 3HB ARG 35 19.108 7.466 -12.394 277 HG2 ARG 35 2HG ARG 35 16.994 5.623 -11.521 278 HG3 ARG 35 3HG ARG 35 18.403 4.865 -12.264 279 HD2 ARG 35 2HD ARG 35 19.556 6.699 -10.603 280 HD3 ARG 35 3HD ARG 35 18.129 6.223 -9.683 281 HE ARG 35 HE ARG 35 19.254 3.870 -10.523 282 HH11 ARG 35 1HH1 ARG 35 20.313 6.616 -8.663 283 HH12 ARG 35 2HH1 ARG 35 21.425 5.700 -7.701 284 HH21 ARG 35 1HH2 ARG 35 20.715 2.653 -9.262 285 HH22 ARG 35 2HH2 ARG 35 21.653 3.447 -8.043 286 H ARG 36 H ARG 36 17.438 9.144 -14.797 287 HA ARG 36 HA ARG 36 19.094 11.243 -13.905 288 HB2 ARG 36 2HB ARG 36 19.145 10.589 -16.217 289 HB3 ARG 36 3HB ARG 36 17.431 10.935 -16.405 290 HG2 ARG 36 2HG ARG 36 18.720 12.683 -17.428 291 HG3 ARG 36 3HG ARG 36 17.901 13.323 -16.002 292 HD2 ARG 36 2HD ARG 36 19.976 13.049 -14.712 293 HD3 ARG 36 3HD ARG 36 20.786 12.456 -16.161 294 HE ARG 36 HE ARG 36 20.960 14.615 -16.910 295 HH11 ARG 36 1HH1 ARG 36 18.690 14.489 -14.274 296 HH12 ARG 36 2HH1 ARG 36 18.552 16.211 -14.138 297 HH21 ARG 36 1HH2 ARG 36 20.787 16.884 -16.742 298 HH22 ARG 36 2HH2 ARG 36 19.744 17.572 -15.544 299 H ALA 37 H ALA 37 15.627 11.152 -14.679 300 HA ALA 37 HA ALA 37 15.111 13.869 -14.139 301 HB1 ALA 37 1HB ALA 37 12.712 12.917 -13.753 302 HB2 ALA 37 2HB ALA 37 13.434 12.871 -15.361 303 HB3 ALA 37 3HB ALA 37 13.420 11.420 -14.359 304 H LEU 38 H LEU 38 15.188 11.016 -12.089 305 HA LEU 38 HA LEU 38 13.960 12.139 -9.816 306 HB2 LEU 38 2HB LEU 38 14.270 10.112 -8.957 307 HB3 LEU 38 3HB LEU 38 14.954 9.673 -10.521 308 HG LEU 38 HG LEU 38 17.185 10.529 -9.429 309 HD11 LEU 38 1HD1 LEU 38 15.397 10.784 -7.272 310 HD12 LEU 38 2HD1 LEU 38 17.149 10.983 -7.261 311 HD13 LEU 38 3HD1 LEU 38 16.439 9.407 -6.910 312 HD21 LEU 38 1HD2 LEU 38 16.732 7.992 -8.201 313 HD22 LEU 38 2HD2 LEU 38 17.663 8.375 -9.649 314 HD23 LEU 38 3HD2 LEU 38 15.939 8.023 -9.776 315 H LYS 39 H LYS 39 17.145 12.435 -11.136 316 HA LYS 39 HA LYS 39 18.647 13.133 -8.914 317 HB2 LYS 39 2HB LYS 39 19.621 12.805 -11.133 318 HB3 LYS 39 3HB LYS 39 18.817 14.257 -11.716 319 HG2 LYS 39 2HG LYS 39 20.331 14.940 -9.410 320 HG3 LYS 39 3HG LYS 39 21.360 14.015 -10.505 321 HD2 LYS 39 2HD LYS 39 21.513 16.389 -11.002 322 HD3 LYS 39 3HD LYS 39 20.745 15.531 -12.340 323 HE2 LYS 39 2HE LYS 39 18.547 16.230 -11.520 324 HE3 LYS 39 3HE LYS 39 19.316 17.084 -10.183 325 HZ1 LYS 39 1HZ LYS 39 18.647 18.387 -12.280 326 HZ2 LYS 39 2HZ LYS 39 20.045 17.725 -12.964 327 HZ3 LYS 39 3HZ LYS 39 20.157 18.694 -11.582 328 H LYS 40 H LYS 40 16.141 14.889 -10.520 329 HA LYS 40 HA LYS 40 16.750 17.512 -9.803 330 HB2 LYS 40 2HB LYS 40 14.958 17.019 -11.350 331 HB3 LYS 40 3HB LYS 40 14.066 16.157 -10.103 332 HG2 LYS 40 2HG LYS 40 13.548 18.139 -8.953 333 HG3 LYS 40 3HG LYS 40 14.749 19.069 -9.853 334 HD2 LYS 40 2HD LYS 40 12.706 17.768 -11.514 335 HD3 LYS 40 3HD LYS 40 12.086 19.007 -10.419 336 HE2 LYS 40 2HE LYS 40 14.407 19.416 -12.299 337 HE3 LYS 40 3HE LYS 40 12.741 19.847 -12.681 338 HZ1 LYS 40 1HZ LYS 40 12.714 21.482 -11.035 339 HZ2 LYS 40 2HZ LYS 40 14.228 21.665 -11.768 340 HZ3 LYS 40 3HZ LYS 40 14.102 20.887 -10.271 341 H MET 41 H MET 41 15.767 14.861 -7.858 342 HA MET 41 HA MET 41 14.964 16.596 -5.647 343 HB2 MET 41 2HB MET 41 15.018 13.580 -5.677 344 HB3 MET 41 3HB MET 41 14.150 14.628 -4.562 345 HG2 MET 41 2HG MET 41 12.933 15.453 -6.702 346 HG3 MET 41 3HG MET 41 13.519 13.943 -7.395 347 HE1 MET 41 1HE MET 41 12.194 15.483 -4.336 348 HE2 MET 41 2HE MET 41 10.493 15.031 -4.451 349 HE3 MET 41 3HE MET 41 11.582 14.110 -3.412 350 H GLY 42 H GLY 42 17.639 14.748 -6.774 351 HA2 GLY 42 2HA GLY 42 19.779 14.560 -5.951 352 HA3 GLY 42 3HA GLY 42 19.342 15.736 -4.720 353 H ASP 43 H ASP 43 17.096 13.347 -4.531 354 HA ASP 43 HA ASP 43 18.639 11.925 -2.462 355 HB2 ASP 43 2HB ASP 43 15.957 13.103 -2.462 356 HB3 ASP 43 3HB ASP 43 15.991 11.443 -1.873 357 H THR 44 H THR 44 19.387 10.425 -4.066 358 HA THR 44 HA THR 44 17.397 8.726 -5.343 359 HB THR 44 HB THR 44 19.241 7.685 -6.513 360 HG1 THR 44 HG1 THR 44 21.108 7.629 -5.535 361 HG21 THR 44 1HG2 THR 44 18.850 9.489 -7.813 362 HG22 THR 44 2HG2 THR 44 20.418 10.030 -7.212 363 HG23 THR 44 3HG2 THR 44 18.935 10.611 -6.456 364 H SER 45 H SER 45 18.258 8.832 -2.342 365 HA SER 45 HA SER 45 19.327 6.248 -1.791 366 HB2 SER 45 2HB SER 45 19.422 6.963 0.356 367 HB3 SER 45 3HB SER 45 19.028 8.539 -0.332 368 HG SER 45 HG SER 45 17.645 7.899 1.422 369 H CYS 46 H CYS 46 16.065 7.631 -1.725 370 HA CYS 46 HA CYS 46 14.918 5.035 -1.073 371 HB2 CYS 46 2HB CYS 46 14.113 7.228 -0.062 372 HB3 CYS 46 3HB CYS 46 13.422 7.594 -1.640 373 H PHE 47 H PHE 47 15.440 7.094 -3.799 374 HA PHE 47 HA PHE 47 13.449 5.919 -5.487 375 HB2 PHE 47 2HB PHE 47 14.689 8.234 -5.669 376 HB3 PHE 47 3HB PHE 47 15.869 7.299 -6.582 377 HD1 PHE 47 HD1 PHE 47 12.850 9.121 -6.742 378 HD2 PHE 47 HD2 PHE 47 14.931 5.866 -8.529 379 HE1 PHE 47 HE1 PHE 47 11.453 9.338 -8.756 380 HE2 PHE 47 HE2 PHE 47 13.537 6.078 -10.545 381 HZ PHE 47 HZ PHE 47 11.796 7.816 -10.661 382 H ASP 48 H ASP 48 16.807 5.287 -4.761 383 HA ASP 48 HA ASP 48 17.481 3.670 -6.936 384 HB2 ASP 48 2HB ASP 48 19.208 4.402 -5.449 385 HB3 ASP 48 3HB ASP 48 18.428 3.635 -4.069 386 H GLU 49 H GLU 49 15.677 2.963 -4.016 387 HA GLU 49 HA GLU 49 15.678 0.125 -4.381 388 HB2 GLU 49 2HB GLU 49 14.217 2.032 -2.591 389 HB3 GLU 49 3HB GLU 49 13.672 0.366 -2.715 390 HG2 GLU 49 2HG GLU 49 15.085 0.088 -0.990 391 HG3 GLU 49 3HG GLU 49 16.272 -0.068 -2.284 392 H ILE 50 H ILE 50 13.298 2.701 -4.948 393 HA ILE 50 HA ILE 50 11.305 0.977 -6.004 394 HB ILE 50 HB ILE 50 10.147 2.968 -6.712 395 HG12 ILE 50 2HG1 ILE 50 11.688 5.136 -5.965 396 HG13 ILE 50 3HG1 ILE 50 12.857 4.073 -6.741 397 HG21 ILE 50 1HG2 ILE 50 11.500 3.674 -4.123 398 HG22 ILE 50 2HG2 ILE 50 9.844 4.015 -4.622 399 HG23 ILE 50 3HG2 ILE 50 10.332 2.360 -4.258 400 HD11 ILE 50 1HD1 ILE 50 11.480 5.855 -8.101 401 HD12 ILE 50 2HD1 ILE 50 11.891 4.283 -8.789 402 HD13 ILE 50 3HD1 ILE 50 10.281 4.563 -8.126 403 H LEU 51 H LEU 51 14.018 2.684 -7.391 404 HA LEU 51 HA LEU 51 13.370 2.755 -10.067 405 HB2 LEU 51 2HB LEU 51 15.504 3.346 -10.359 406 HB3 LEU 51 3HB LEU 51 15.597 3.285 -8.600 407 HG LEU 51 HG LEU 51 16.291 0.807 -8.987 408 HD11 LEU 51 1HD1 LEU 51 15.855 1.485 -11.606 409 HD12 LEU 51 2HD1 LEU 51 16.813 0.116 -11.043 410 HD13 LEU 51 3HD1 LEU 51 17.606 1.637 -11.452 411 HD21 LEU 51 1HD2 LEU 51 18.128 1.729 -8.148 412 HD22 LEU 51 2HD2 LEU 51 17.734 3.292 -8.864 413 HD23 LEU 51 3HD2 LEU 51 18.636 2.097 -9.797 414 H LYS 52 H LYS 52 14.248 0.015 -8.099 415 HA LYS 52 HA LYS 52 14.799 -1.785 -10.232 416 HB2 LYS 52 2HB LYS 52 14.606 -1.893 -7.329 417 HB3 LYS 52 3HB LYS 52 13.936 -3.331 -8.089 418 HG2 LYS 52 2HG LYS 52 16.279 -3.645 -7.548 419 HG3 LYS 52 3HG LYS 52 16.031 -3.676 -9.295 420 HD2 LYS 52 2HD LYS 52 17.044 -1.618 -9.605 421 HD3 LYS 52 3HD LYS 52 16.759 -1.112 -7.938 422 HE2 LYS 52 2HE LYS 52 19.053 -1.541 -8.016 423 HE3 LYS 52 3HE LYS 52 18.371 -2.998 -7.295 424 HZ1 LYS 52 1HZ LYS 52 18.903 -2.780 -10.198 425 HZ2 LYS 52 2HZ LYS 52 18.629 -4.178 -9.286 426 HZ3 LYS 52 3HZ LYS 52 20.077 -3.322 -9.107 427 H GLY 53 H GLY 53 11.915 -1.123 -8.272 428 HA2 GLY 53 2HA GLY 53 10.325 -3.100 -9.617 429 HA3 GLY 53 3HA GLY 53 9.744 -1.885 -8.489 430 H LEU 54 H LEU 54 11.266 0.086 -10.366 431 HA LEU 54 HA LEU 54 8.934 0.791 -11.888 432 HB2 LEU 54 2HB LEU 54 11.577 1.988 -11.315 433 HB3 LEU 54 3HB LEU 54 10.798 2.477 -12.818 434 HG LEU 54 HG LEU 54 8.865 3.283 -11.568 435 HD11 LEU 54 1HD1 LEU 54 8.660 3.184 -9.249 436 HD12 LEU 54 2HD1 LEU 54 10.361 2.777 -9.020 437 HD13 LEU 54 3HD1 LEU 54 9.250 1.581 -9.688 438 HD21 LEU 54 1HD2 LEU 54 10.476 4.945 -11.966 439 HD22 LEU 54 2HD2 LEU 54 11.573 4.294 -10.747 440 HD23 LEU 54 3HD2 LEU 54 10.080 5.094 -10.254 441 H LYS 55 H LYS 55 10.013 -1.742 -12.608 442 HA LYS 55 HA LYS 55 11.237 -1.286 -15.227 443 HB2 LYS 55 2HB LYS 55 11.814 -3.590 -15.238 444 HB3 LYS 55 3HB LYS 55 12.160 -3.002 -13.617 445 HG2 LYS 55 2HG LYS 55 9.554 -3.893 -13.440 446 HG3 LYS 55 3HG LYS 55 10.335 -5.075 -14.493 447 HD2 LYS 55 2HD LYS 55 12.191 -4.669 -12.489 448 HD3 LYS 55 3HD LYS 55 10.646 -4.627 -11.635 449 HE2 LYS 55 2HE LYS 55 10.956 -6.777 -13.628 450 HE3 LYS 55 3HE LYS 55 11.998 -6.893 -12.210 451 HZ1 LYS 55 1HZ LYS 55 10.264 -7.779 -11.176 452 HZ2 LYS 55 2HZ LYS 55 9.205 -7.396 -12.438 453 HZ3 LYS 55 3HZ LYS 55 9.518 -6.261 -11.223 454 H GLU 56 H GLU 56 8.396 -0.700 -14.578 455 HA GLU 56 HA GLU 56 7.094 -2.576 -16.437 456 HB2 GLU 56 2HB GLU 56 5.681 -0.725 -14.522 457 HB3 GLU 56 3HB GLU 56 5.010 -2.098 -15.392 458 HG2 GLU 56 2HG GLU 56 6.317 -3.629 -14.054 459 HG3 GLU 56 3HG GLU 56 7.093 -2.279 -13.227 460 H ILE 57 H ILE 57 8.451 -0.970 -17.889 461 HA ILE 57 HA ILE 57 7.211 1.574 -18.386 462 HB ILE 57 HB ILE 57 9.592 1.303 -18.801 463 HG12 ILE 57 2HG1 ILE 57 9.694 2.273 -21.054 464 HG13 ILE 57 3HG1 ILE 57 8.057 1.712 -21.378 465 HG21 ILE 57 1HG2 ILE 57 8.945 -1.162 -19.784 466 HG22 ILE 57 2HG2 ILE 57 9.325 -0.264 -21.253 467 HG23 ILE 57 3HG2 ILE 57 10.515 -0.378 -19.957 468 HD11 ILE 57 1HD1 ILE 57 8.481 3.462 -19.024 469 HD12 ILE 57 2HD1 ILE 57 8.566 4.186 -20.630 470 HD13 ILE 57 3HD1 ILE 57 7.104 3.343 -20.118 471 H LYS 58 H LYS 58 5.649 2.064 -19.801 472 HA LYS 58 HA LYS 58 4.836 0.014 -21.751 473 HB2 LYS 58 2HB LYS 58 3.027 1.719 -20.030 474 HB3 LYS 58 3HB LYS 58 2.474 0.710 -21.361 475 HG2 LYS 58 2HG LYS 58 2.247 -0.951 -19.917 476 HG3 LYS 58 3HG LYS 58 4.003 -0.975 -19.741 477 HD2 LYS 58 2HD LYS 58 3.748 0.803 -17.982 478 HD3 LYS 58 3HD LYS 58 2.004 0.541 -18.070 479 HE2 LYS 58 2HE LYS 58 2.503 -1.906 -17.605 480 HE3 LYS 58 3HE LYS 58 4.140 -1.390 -17.200 481 HZ1 LYS 58 1HZ LYS 58 1.841 -0.079 -15.917 482 HZ2 LYS 58 2HZ LYS 58 3.422 -0.263 -15.347 483 HZ3 LYS 58 3HZ LYS 58 2.366 -1.584 -15.350 484 H CYS 59 H CYS 59 6.544 1.899 -22.569 485 HA CYS 59 HA CYS 59 5.755 4.380 -23.354 486 HB2 CYS 59 2HB CYS 59 7.986 3.468 -23.809 487 HB3 CYS 59 3HB CYS 59 7.307 2.395 -25.029 488 H GLY 60 H GLY 60 4.865 1.311 -24.852 489 HA2 GLY 60 2HA GLY 60 2.740 2.736 -26.303 490 HA3 GLY 60 3HA GLY 60 3.798 1.645 -27.185 491 H GLY 61 H GLY 61 1.148 1.166 -27.293 492 HA2 GLY 61 2HA GLY 61 -0.027 -0.395 -25.324 493 HA3 GLY 61 3HA GLY 61 -0.362 -0.545 -27.042 494 H SER 62 H SER 62 2.512 -1.228 -27.545 495 HA SER 62 HA SER 62 2.837 -3.783 -26.211 496 HB2 SER 62 2HB SER 62 2.969 -5.010 -28.401 497 HB3 SER 62 3HB SER 62 1.349 -4.452 -27.983 498 HG SER 62 HG SER 62 1.385 -3.496 -29.845 499 H TRP 63 H TRP 63 4.928 -4.203 -25.911 500 HA TRP 63 HA TRP 63 6.899 -2.426 -27.039 501 HB2 TRP 63 2HB TRP 63 6.813 -4.446 -24.879 502 HB3 TRP 63 3HB TRP 63 8.371 -4.243 -25.675 503 HD1 TRP 63 HD1 TRP 63 6.789 -3.081 -22.726 504 HE1 TRP 63 HE1 TRP 63 7.606 -0.750 -22.001 505 HE3 TRP 63 HE3 TRP 63 8.988 -1.597 -27.096 506 HZ2 TRP 63 HZ2 TRP 63 8.997 1.430 -23.133 507 HZ3 TRP 63 HZ3 TRP 63 10.039 0.626 -27.192 508 HH2 TRP 63 HH2 TRP 63 10.042 2.106 -25.250 509 H LEU 64 H LEU 64 9.024 -3.441 -27.810 510 HA LEU 64 HA LEU 64 8.767 -5.947 -29.225 511 HB2 LEU 64 2HB LEU 64 8.912 -3.307 -30.648 512 HB3 LEU 64 3HB LEU 64 9.458 -4.804 -31.400 513 HG LEU 64 HG LEU 64 6.650 -4.208 -30.468 514 HD11 LEU 64 1HD1 LEU 64 7.435 -4.714 -33.297 515 HD12 LEU 64 2HD1 LEU 64 7.688 -3.112 -32.606 516 HD13 LEU 64 3HD1 LEU 64 6.068 -3.807 -32.650 517 HD21 LEU 64 1HD2 LEU 64 7.114 -6.551 -30.204 518 HD22 LEU 64 2HD2 LEU 64 7.839 -6.632 -31.810 519 HD23 LEU 64 3HD2 LEU 64 6.110 -6.329 -31.637 520 H GLU 65 H GLU 65 10.460 -5.139 -27.151 521 HA GLU 65 HA GLU 65 13.001 -5.774 -28.294 522 HB2 GLU 65 2HB GLU 65 12.369 -3.030 -28.087 523 HB3 GLU 65 3HB GLU 65 13.504 -3.376 -26.790 524 HG2 GLU 65 2HG GLU 65 15.197 -3.417 -28.209 525 HG3 GLU 65 3HG GLU 65 14.391 -4.626 -29.208 526 H HIS 66 H HIS 66 14.739 -5.260 -26.361 527 HA HIS 66 HA HIS 66 13.551 -5.972 -23.790 528 HB2 HIS 66 2HB HIS 66 15.327 -7.791 -23.550 529 HB3 HIS 66 3HB HIS 66 13.969 -8.150 -24.612 530 HD1 HIS 66 HD1 HIS 66 17.326 -6.440 -25.207 531 HD2 HIS 66 HD2 HIS 66 14.930 -9.458 -26.760 532 HE1 HIS 66 HE1 HIS 66 18.568 -7.321 -27.208 Start of MODEL 18 1 H1 ALA 1 H ALA 1 3.693 -2.254 -0.797 2 HA ALA 1 HA ALA 1 2.671 -0.059 -2.184 3 HB1 ALA 1 1HB ALA 1 0.937 0.340 -0.735 4 HB2 ALA 1 2HB ALA 1 1.830 -0.246 0.670 5 HB3 ALA 1 3HB ALA 1 2.203 1.336 -0.016 6 H SER 2 H SER 2 4.732 0.359 -2.809 7 HA SER 2 HA SER 2 7.015 0.270 -1.205 8 HB2 SER 2 2HB SER 2 7.104 2.291 -3.334 9 HB3 SER 2 3HB SER 2 8.103 0.857 -3.097 10 HG SER 2 HG SER 2 6.829 -0.245 -4.372 11 HA PRO 3 HA PRO 3 6.836 3.887 1.283 12 HB2 PRO 3 2HB PRO 3 9.487 4.372 1.607 13 HB3 PRO 3 3HB PRO 3 8.651 3.036 2.406 14 HG2 PRO 3 2HG PRO 3 10.334 3.008 -0.069 15 HG3 PRO 3 3HG PRO 3 10.313 1.860 1.283 16 HD2 PRO 3 2HD PRO 3 9.058 1.369 -1.066 17 HD3 PRO 3 3HD PRO 3 8.447 0.765 0.488 18 H CYS 4 H CYS 4 8.576 3.907 -1.740 19 HA CYS 4 HA CYS 4 8.111 6.804 -1.938 20 HB2 CYS 4 2HB CYS 4 10.632 5.284 -2.563 21 HB3 CYS 4 3HB CYS 4 10.282 6.828 -3.333 22 H ASP 5 H ASP 5 6.466 4.700 -2.909 23 HA ASP 5 HA ASP 5 6.936 4.118 -5.632 24 HB2 ASP 5 2HB ASP 5 5.173 3.202 -3.813 25 HB3 ASP 5 3HB ASP 5 4.127 4.307 -4.700 26 H LYS 6 H LYS 6 5.489 6.838 -3.998 27 HA LYS 6 HA LYS 6 4.105 7.980 -6.158 28 HB2 LYS 6 2HB LYS 6 4.320 10.112 -4.873 29 HB3 LYS 6 3HB LYS 6 3.693 8.769 -3.927 30 HG2 LYS 6 2HG LYS 6 6.327 8.535 -3.406 31 HG3 LYS 6 3HG LYS 6 6.198 10.280 -3.643 32 HD2 LYS 6 2HD LYS 6 4.174 8.930 -1.927 33 HD3 LYS 6 3HD LYS 6 5.797 9.173 -1.277 34 HE2 LYS 6 2HE LYS 6 5.645 11.536 -1.592 35 HE3 LYS 6 3HE LYS 6 4.142 11.374 -2.499 36 HZ1 LYS 6 1HZ LYS 6 3.589 10.168 -0.131 37 HZ2 LYS 6 2HZ LYS 6 3.147 11.744 -0.558 38 HZ3 LYS 6 3HZ LYS 6 4.558 11.473 0.336 39 H GLN 7 H GLN 7 7.480 8.037 -5.252 40 HA GLN 7 HA GLN 7 8.263 10.184 -6.931 41 HB2 GLN 7 2HB GLN 7 9.657 8.030 -5.425 42 HB3 GLN 7 3HB GLN 7 10.550 8.829 -6.712 43 HG2 GLN 7 2HG GLN 7 11.038 9.923 -4.648 44 HG3 GLN 7 3HG GLN 7 10.061 11.004 -5.640 45 HE21 GLN 7 1HE2 GLN 7 9.086 8.248 -3.657 46 HE22 GLN 7 2HE2 GLN 7 8.047 9.143 -2.607 47 H LYS 8 H LYS 8 7.834 6.751 -7.427 48 HA LYS 8 HA LYS 8 9.199 6.600 -9.918 49 HB2 LYS 8 2HB LYS 8 8.646 4.394 -9.899 50 HB3 LYS 8 3HB LYS 8 8.320 4.738 -8.205 51 HG2 LYS 8 2HG LYS 8 6.411 3.632 -8.775 52 HG3 LYS 8 3HG LYS 8 5.919 5.294 -9.110 53 HD2 LYS 8 2HD LYS 8 7.007 4.618 -11.488 54 HD3 LYS 8 3HD LYS 8 6.406 3.046 -10.957 55 HE2 LYS 8 2HE LYS 8 4.459 5.122 -10.476 56 HE3 LYS 8 3HE LYS 8 4.948 5.095 -12.169 57 HZ1 LYS 8 1HZ LYS 8 3.570 3.396 -12.426 58 HZ2 LYS 8 2HZ LYS 8 3.280 3.284 -10.763 59 HZ3 LYS 8 3HZ LYS 8 4.587 2.459 -11.451 60 H ASN 9 H ASN 9 5.903 7.328 -8.964 61 HA ASN 9 HA ASN 9 4.845 7.218 -11.627 62 HB2 ASN 9 2HB ASN 9 3.775 7.346 -9.038 63 HB3 ASN 9 3HB ASN 9 3.280 8.846 -9.817 64 HD21 ASN 9 1HD2 ASN 9 2.134 5.999 -9.110 65 HD22 ASN 9 2HD2 ASN 9 1.164 5.653 -10.498 66 H TYR 10 H TYR 10 5.993 9.756 -9.462 67 HA TYR 10 HA TYR 10 5.207 11.966 -11.006 68 HB2 TYR 10 2HB TYR 10 5.840 12.561 -8.863 69 HB3 TYR 10 3HB TYR 10 7.249 11.507 -8.871 70 HD1 TYR 10 HD1 TYR 10 5.931 14.630 -10.420 71 HD2 TYR 10 HD2 TYR 10 9.363 12.407 -9.244 72 HE1 TYR 10 HE1 TYR 10 7.359 16.557 -10.967 73 HE2 TYR 10 HE2 TYR 10 10.800 14.327 -9.787 74 HH TYR 10 HH TYR 10 9.532 17.181 -11.373 75 H ILE 11 H ILE 11 8.138 9.996 -11.049 76 HA ILE 11 HA ILE 11 9.403 11.611 -13.071 77 HB ILE 11 HB ILE 11 10.160 8.865 -12.064 78 HG12 ILE 11 2HG1 ILE 11 10.131 10.654 -10.319 79 HG13 ILE 11 3HG1 ILE 11 11.732 9.984 -10.614 80 HG21 ILE 11 1HG2 ILE 11 11.432 10.788 -13.951 81 HG22 ILE 11 2HG2 ILE 11 12.458 9.792 -12.920 82 HG23 ILE 11 3HG2 ILE 11 11.324 9.030 -14.035 83 HD11 ILE 11 1HD1 ILE 11 10.850 12.469 -12.015 84 HD12 ILE 11 2HD1 ILE 11 11.461 12.529 -10.361 85 HD13 ILE 11 3HD1 ILE 11 12.482 11.904 -11.657 86 H ASP 12 H ASP 12 7.808 8.448 -12.941 87 HA ASP 12 HA ASP 12 8.243 7.738 -15.631 88 HB2 ASP 12 2HB ASP 12 7.527 6.155 -13.850 89 HB3 ASP 12 3HB ASP 12 5.938 6.916 -13.852 90 H LYS 13 H LYS 13 5.824 9.726 -14.077 91 HA LYS 13 HA LYS 13 4.169 9.892 -16.443 92 HB2 LYS 13 2HB LYS 13 2.672 11.141 -15.152 93 HB3 LYS 13 3HB LYS 13 3.378 10.020 -13.995 94 HG2 LYS 13 2HG LYS 13 4.871 11.758 -13.190 95 HG3 LYS 13 3HG LYS 13 4.220 12.886 -14.381 96 HD2 LYS 13 2HD LYS 13 3.209 13.280 -12.208 97 HD3 LYS 13 3HD LYS 13 2.000 12.674 -13.342 98 HE2 LYS 13 2HE LYS 13 2.255 10.426 -12.400 99 HE3 LYS 13 3HE LYS 13 3.456 11.040 -11.265 100 HZ1 LYS 13 1HZ LYS 13 1.864 12.233 -10.102 101 HZ2 LYS 13 2HZ LYS 13 1.056 10.793 -10.469 102 HZ3 LYS 13 3HZ LYS 13 0.741 12.191 -11.367 103 H GLN 14 H GLN 14 6.758 11.674 -14.970 104 HA GLN 14 HA GLN 14 6.328 13.987 -16.689 105 HB2 GLN 14 2HB GLN 14 8.227 13.383 -14.437 106 HB3 GLN 14 3HB GLN 14 8.475 14.771 -15.488 107 HG2 GLN 14 2HG GLN 14 5.968 14.262 -13.905 108 HG3 GLN 14 3HG GLN 14 7.292 15.301 -13.382 109 HE21 GLN 14 1HE2 GLN 14 4.620 14.932 -15.552 110 HE22 GLN 14 2HE2 GLN 14 4.590 16.561 -16.126 111 H LEU 15 H LEU 15 7.904 11.031 -16.833 112 HA LEU 15 HA LEU 15 9.929 12.025 -18.715 113 HB2 LEU 15 2HB LEU 15 10.513 10.525 -16.720 114 HB3 LEU 15 3HB LEU 15 9.754 9.228 -17.640 115 HG LEU 15 HG LEU 15 11.737 10.644 -19.212 116 HD11 LEU 15 1HD1 LEU 15 13.634 10.426 -17.990 117 HD12 LEU 15 2HD1 LEU 15 13.014 9.062 -17.060 118 HD13 LEU 15 3HD1 LEU 15 12.506 10.703 -16.663 119 HD21 LEU 15 1HD2 LEU 15 12.219 7.857 -18.508 120 HD22 LEU 15 2HD2 LEU 15 11.983 8.604 -20.089 121 HD23 LEU 15 3HD2 LEU 15 10.587 8.151 -19.110 122 H LEU 16 H LEU 16 6.890 10.629 -18.632 123 HA LEU 16 HA LEU 16 7.101 8.900 -20.899 124 HB2 LEU 16 2HB LEU 16 4.956 9.910 -19.147 125 HB3 LEU 16 3HB LEU 16 4.468 9.478 -20.784 126 HG LEU 16 HG LEU 16 6.037 7.528 -19.151 127 HD11 LEU 16 1HD1 LEU 16 4.207 6.758 -17.970 128 HD12 LEU 16 2HD1 LEU 16 3.051 7.570 -19.025 129 HD13 LEU 16 3HD1 LEU 16 4.005 8.508 -17.875 130 HD21 LEU 16 1HD2 LEU 16 5.288 5.990 -20.649 131 HD22 LEU 16 2HD2 LEU 16 5.237 7.419 -21.681 132 HD23 LEU 16 3HD2 LEU 16 3.760 6.828 -20.919 133 HA PRO 17 HA PRO 17 5.253 12.922 -22.965 134 HB2 PRO 17 2HB PRO 17 6.284 15.215 -21.943 135 HB3 PRO 17 3HB PRO 17 4.782 14.492 -21.356 136 HG2 PRO 17 2HG PRO 17 7.539 14.329 -20.202 137 HG3 PRO 17 3HG PRO 17 5.992 14.578 -19.372 138 HD2 PRO 17 2HD PRO 17 7.231 12.171 -19.454 139 HD3 PRO 17 3HD PRO 17 5.463 12.335 -19.418 140 H ILE 18 H ILE 18 8.536 12.984 -21.624 141 HA ILE 18 HA ILE 18 9.646 14.160 -24.014 142 HB ILE 18 HB ILE 18 11.828 13.834 -22.916 143 HG12 ILE 18 2HG1 ILE 18 10.330 12.784 -20.523 144 HG13 ILE 18 3HG1 ILE 18 11.023 11.702 -21.726 145 HG21 ILE 18 1HG2 ILE 18 10.798 15.038 -20.636 146 HG22 ILE 18 2HG2 ILE 18 11.304 15.844 -22.120 147 HG23 ILE 18 3HG2 ILE 18 9.615 15.388 -21.896 148 HD11 ILE 18 1HD1 ILE 18 13.098 11.991 -20.955 149 HD12 ILE 18 2HD1 ILE 18 12.877 13.725 -20.718 150 HD13 ILE 18 3HD1 ILE 18 12.296 12.587 -19.502 151 H VAL 19 H VAL 19 8.908 11.015 -22.912 152 HA VAL 19 HA VAL 19 10.893 9.641 -24.486 153 HB VAL 19 HB VAL 19 9.551 8.858 -22.322 154 HG11 VAL 19 1HG1 VAL 19 7.968 7.627 -24.574 155 HG12 VAL 19 2HG1 VAL 19 7.771 7.320 -22.848 156 HG13 VAL 19 3HG1 VAL 19 7.379 8.906 -23.513 157 HG21 VAL 19 1HG2 VAL 19 10.558 6.826 -22.604 158 HG22 VAL 19 2HG2 VAL 19 10.076 6.696 -24.296 159 HG23 VAL 19 3HG2 VAL 19 11.411 7.753 -23.838 160 H ASN 20 H ASN 20 7.429 10.328 -24.742 161 HA ASN 20 HA ASN 20 7.208 8.957 -27.275 162 HB2 ASN 20 2HB ASN 20 5.351 9.073 -25.574 163 HB3 ASN 20 3HB ASN 20 5.182 10.781 -25.969 164 HD21 ASN 20 1HD2 ASN 20 5.204 7.569 -27.449 165 HD22 ASN 20 2HD2 ASN 20 4.032 7.930 -28.665 166 H LYS 21 H LYS 21 8.344 11.936 -26.304 167 HA LYS 21 HA LYS 21 7.351 13.658 -28.301 168 HB2 LYS 21 2HB LYS 21 9.498 13.698 -26.305 169 HB3 LYS 21 3HB LYS 21 9.868 14.624 -27.753 170 HG2 LYS 21 2HG LYS 21 7.996 16.030 -27.451 171 HG3 LYS 21 3HG LYS 21 7.306 14.967 -26.223 172 HD2 LYS 21 2HD LYS 21 8.424 16.022 -24.615 173 HD3 LYS 21 3HD LYS 21 9.955 15.760 -25.453 174 HE2 LYS 21 2HE LYS 21 8.035 17.962 -26.179 175 HE3 LYS 21 3HE LYS 21 9.331 18.167 -25.002 176 HZ1 LYS 21 1HZ LYS 21 10.700 17.158 -27.028 177 HZ2 LYS 21 2HZ LYS 21 10.447 18.819 -26.832 178 HZ3 LYS 21 3HZ LYS 21 9.475 17.935 -27.898 179 H ALA 22 H ALA 22 10.268 11.642 -28.164 180 HA ALA 22 HA ALA 22 11.021 12.377 -30.864 181 HB1 ALA 22 1HB ALA 22 12.938 12.077 -29.670 182 HB2 ALA 22 2HB ALA 22 12.249 10.796 -28.672 183 HB3 ALA 22 3HB ALA 22 12.753 10.450 -30.326 184 H GLY 23 H GLY 23 9.658 9.597 -29.169 185 HA2 GLY 23 2HA GLY 23 8.122 8.598 -31.183 186 HA3 GLY 23 3HA GLY 23 9.707 7.907 -31.500 187 H CYS 24 H CYS 24 10.689 6.602 -29.806 188 HA CYS 24 HA CYS 24 9.588 5.792 -27.442 189 HB2 CYS 24 2HB CYS 24 8.003 4.864 -29.654 190 HB3 CYS 24 3HB CYS 24 8.719 3.485 -28.825 191 H SER 25 H SER 25 11.715 5.475 -26.913 192 HA SER 25 HA SER 25 13.421 3.749 -28.453 193 HB2 SER 25 2HB SER 25 13.952 5.804 -26.797 194 HB3 SER 25 3HB SER 25 14.175 4.465 -25.671 195 HG SER 25 HG SER 25 15.498 4.881 -28.144 196 H ARG 26 H ARG 26 14.809 2.345 -26.521 197 HA ARG 26 HA ARG 26 13.073 0.096 -26.143 198 HB2 ARG 26 2HB ARG 26 15.852 0.400 -25.017 199 HB3 ARG 26 3HB ARG 26 15.005 -1.085 -25.429 200 HG2 ARG 26 2HG ARG 26 15.435 -0.878 -27.662 201 HG3 ARG 26 3HG ARG 26 15.533 0.882 -27.592 202 HD2 ARG 26 2HD ARG 26 17.701 0.815 -26.645 203 HD3 ARG 26 3HD ARG 26 17.579 -0.913 -26.314 204 HE ARG 26 HE ARG 26 18.298 0.334 -28.808 205 HH11 ARG 26 1HH1 ARG 26 17.064 -2.537 -27.275 206 HH12 ARG 26 2HH1 ARG 26 17.543 -3.590 -28.564 207 HH21 ARG 26 1HH2 ARG 26 18.934 -1.042 -30.513 208 HH22 ARG 26 2HH2 ARG 26 18.608 -2.739 -30.405 209 HA PRO 27 HA PRO 27 11.701 0.790 -22.030 210 HB2 PRO 27 2HB PRO 27 11.524 -1.760 -21.114 211 HB3 PRO 27 3HB PRO 27 10.390 -1.079 -22.286 212 HG2 PRO 27 2HG PRO 27 12.764 -2.842 -22.752 213 HG3 PRO 27 3HG PRO 27 11.150 -2.923 -23.482 214 HD2 PRO 27 2HD PRO 27 13.274 -1.832 -24.759 215 HD3 PRO 27 3HD PRO 27 11.614 -1.250 -24.997 216 H GLU 28 H GLU 28 14.560 -1.188 -22.532 217 HA GLU 28 HA GLU 28 15.381 -1.245 -19.805 218 HB2 GLU 28 2HB GLU 28 16.188 -2.926 -21.348 219 HB3 GLU 28 3HB GLU 28 16.923 -1.694 -22.364 220 HG2 GLU 28 2HG GLU 28 18.576 -2.867 -21.007 221 HG3 GLU 28 3HG GLU 28 18.504 -1.149 -20.616 222 H GLU 29 H GLU 29 16.122 0.831 -22.563 223 HA GLU 29 HA GLU 29 18.088 2.370 -21.158 224 HB2 GLU 29 2HB GLU 29 16.605 3.227 -23.637 225 HB3 GLU 29 3HB GLU 29 18.205 3.725 -23.106 226 HG2 GLU 29 2HG GLU 29 18.282 0.927 -23.365 227 HG3 GLU 29 3HG GLU 29 17.457 1.548 -24.794 228 H VAL 30 H VAL 30 14.644 2.612 -21.733 229 HA VAL 30 HA VAL 30 14.255 5.292 -21.002 230 HB VAL 30 HB VAL 30 12.417 2.909 -20.813 231 HG11 VAL 30 1HG1 VAL 30 11.258 4.169 -19.351 232 HG12 VAL 30 2HG1 VAL 30 12.074 5.660 -19.826 233 HG13 VAL 30 3HG1 VAL 30 10.745 5.031 -20.801 234 HG21 VAL 30 1HG2 VAL 30 11.674 3.455 -22.888 235 HG22 VAL 30 2HG2 VAL 30 11.950 5.181 -22.654 236 HG23 VAL 30 3HG2 VAL 30 13.304 4.114 -23.024 237 H GLU 31 H GLU 31 14.475 2.350 -19.077 238 HA GLU 31 HA GLU 31 13.582 3.356 -16.629 239 HB2 GLU 31 2HB GLU 31 13.915 0.980 -16.973 240 HB3 GLU 31 3HB GLU 31 15.641 1.222 -17.209 241 HG2 GLU 31 2HG GLU 31 15.830 1.996 -14.885 242 HG3 GLU 31 3HG GLU 31 14.111 1.682 -14.659 243 H GLU 32 H GLU 32 16.722 3.554 -18.195 244 HA GLU 32 HA GLU 32 18.171 4.529 -15.973 245 HB2 GLU 32 2HB GLU 32 18.711 3.897 -18.670 246 HB3 GLU 32 3HB GLU 32 19.201 5.570 -18.448 247 HG2 GLU 32 2HG GLU 32 20.366 4.625 -16.304 248 HG3 GLU 32 3HG GLU 32 20.265 3.099 -17.180 249 H ARG 33 H ARG 33 16.245 6.097 -18.459 250 HA ARG 33 HA ARG 33 17.033 8.747 -18.003 251 HB2 ARG 33 2HB ARG 33 14.293 7.800 -18.856 252 HB3 ARG 33 3HB ARG 33 14.994 9.388 -19.137 253 HG2 ARG 33 2HG ARG 33 16.761 8.269 -20.510 254 HG3 ARG 33 3HG ARG 33 15.838 6.773 -20.355 255 HD2 ARG 33 2HD ARG 33 14.068 7.586 -21.618 256 HD3 ARG 33 3HD ARG 33 14.521 9.268 -21.348 257 HE ARG 33 HE ARG 33 15.417 7.578 -23.454 258 HH11 ARG 33 1HH1 ARG 33 16.398 10.188 -21.369 259 HH12 ARG 33 2HH1 ARG 33 17.565 10.814 -22.485 260 HH21 ARG 33 1HH2 ARG 33 16.951 8.393 -24.932 261 HH22 ARG 33 2HH2 ARG 33 17.879 9.793 -24.512 262 H ILE 34 H ILE 34 14.741 6.682 -16.344 263 HA ILE 34 HA ILE 34 13.353 8.623 -14.880 264 HB ILE 34 HB ILE 34 14.030 5.823 -13.972 265 HG12 ILE 34 2HG1 ILE 34 11.712 6.850 -15.624 266 HG13 ILE 34 3HG1 ILE 34 12.990 5.771 -16.175 267 HG21 ILE 34 1HG2 ILE 34 12.851 7.841 -12.548 268 HG22 ILE 34 2HG2 ILE 34 11.461 6.988 -13.218 269 HG23 ILE 34 3HG2 ILE 34 12.643 6.117 -12.241 270 HD11 ILE 34 1HD1 ILE 34 11.610 4.111 -15.675 271 HD12 ILE 34 2HD1 ILE 34 11.939 4.473 -13.981 272 HD13 ILE 34 3HD1 ILE 34 10.531 5.176 -14.775 273 H ARG 35 H ARG 35 16.409 6.978 -14.244 274 HA ARG 35 HA ARG 35 16.770 7.921 -11.608 275 HB2 ARG 35 2HB ARG 35 18.466 6.658 -13.683 276 HB3 ARG 35 3HB ARG 35 19.311 7.568 -12.437 277 HG2 ARG 35 2HG ARG 35 17.252 5.731 -11.440 278 HG3 ARG 35 3HG ARG 35 18.623 4.961 -12.239 279 HD2 ARG 35 2HD ARG 35 19.545 7.046 -10.497 280 HD3 ARG 35 3HD ARG 35 18.487 5.948 -9.611 281 HE ARG 35 HE ARG 35 20.152 4.278 -10.943 282 HH11 ARG 35 1HH1 ARG 35 20.659 7.003 -8.838 283 HH12 ARG 35 2HH1 ARG 35 22.165 6.412 -8.220 284 HH21 ARG 35 1HH2 ARG 35 22.134 3.488 -10.137 285 HH22 ARG 35 2HH2 ARG 35 23.004 4.412 -8.960 286 H ARG 36 H ARG 36 17.546 9.270 -14.756 287 HA ARG 36 HA ARG 36 19.251 11.336 -13.933 288 HB2 ARG 36 2HB ARG 36 19.079 10.777 -16.264 289 HB3 ARG 36 3HB ARG 36 17.360 11.147 -16.279 290 HG2 ARG 36 2HG ARG 36 17.862 13.504 -15.876 291 HG3 ARG 36 3HG ARG 36 19.586 13.131 -15.863 292 HD2 ARG 36 2HD ARG 36 19.564 12.523 -18.152 293 HD3 ARG 36 3HD ARG 36 17.802 12.504 -18.201 294 HE ARG 36 HE ARG 36 18.895 15.069 -17.524 295 HH11 ARG 36 1HH1 ARG 36 18.032 12.934 -20.135 296 HH12 ARG 36 2HH1 ARG 36 17.823 14.213 -21.285 297 HH21 ARG 36 1HH2 ARG 36 18.623 16.762 -19.029 298 HH22 ARG 36 2HH2 ARG 36 18.160 16.390 -20.655 299 H ALA 37 H ALA 37 15.726 11.288 -14.363 300 HA ALA 37 HA ALA 37 15.304 13.992 -13.657 301 HB1 ALA 37 1HB ALA 37 12.925 13.120 -13.180 302 HB2 ALA 37 2HB ALA 37 13.547 13.021 -14.827 303 HB3 ALA 37 3HB ALA 37 13.528 11.585 -13.804 304 H LEU 38 H LEU 38 15.594 11.049 -11.786 305 HA LEU 38 HA LEU 38 14.503 11.961 -9.364 306 HB2 LEU 38 2HB LEU 38 14.810 9.761 -9.119 307 HB3 LEU 38 3HB LEU 38 16.141 9.725 -10.274 308 HG LEU 38 HG LEU 38 17.592 10.642 -8.395 309 HD11 LEU 38 1HD1 LEU 38 15.066 10.640 -7.078 310 HD12 LEU 38 2HD1 LEU 38 16.630 11.190 -6.478 311 HD13 LEU 38 3HD1 LEU 38 16.142 9.510 -6.255 312 HD21 LEU 38 1HD2 LEU 38 16.469 7.919 -8.674 313 HD22 LEU 38 2HD2 LEU 38 17.406 8.250 -7.217 314 HD23 LEU 38 3HD2 LEU 38 18.136 8.481 -8.807 315 H LYS 39 H LYS 39 17.579 12.512 -10.879 316 HA LYS 39 HA LYS 39 19.153 13.241 -8.711 317 HB2 LYS 39 2HB LYS 39 20.193 13.049 -10.834 318 HB3 LYS 39 3HB LYS 39 19.097 14.216 -11.562 319 HG2 LYS 39 2HG LYS 39 20.566 15.368 -9.353 320 HG3 LYS 39 3HG LYS 39 21.641 14.707 -10.586 321 HD2 LYS 39 2HD LYS 39 21.328 16.750 -11.515 322 HD3 LYS 39 3HD LYS 39 19.887 15.969 -12.170 323 HE2 LYS 39 2HE LYS 39 18.476 17.044 -10.700 324 HE3 LYS 39 3HE LYS 39 19.743 17.293 -9.500 325 HZ1 LYS 39 1HZ LYS 39 20.562 18.703 -11.706 326 HZ2 LYS 39 2HZ LYS 39 19.899 19.347 -10.289 327 HZ3 LYS 39 3HZ LYS 39 18.900 19.007 -11.611 328 H LYS 40 H LYS 40 16.533 14.934 -10.238 329 HA LYS 40 HA LYS 40 17.052 17.548 -9.402 330 HB2 LYS 40 2HB LYS 40 14.330 16.258 -9.641 331 HB3 LYS 40 3HB LYS 40 14.698 17.975 -9.751 332 HG2 LYS 40 2HG LYS 40 16.229 16.469 -11.672 333 HG3 LYS 40 3HG LYS 40 14.501 16.157 -11.845 334 HD2 LYS 40 2HD LYS 40 15.611 18.942 -11.617 335 HD3 LYS 40 3HD LYS 40 15.470 18.110 -13.168 336 HE2 LYS 40 2HE LYS 40 13.114 17.965 -12.977 337 HE3 LYS 40 3HE LYS 40 13.151 18.442 -11.281 338 HZ1 LYS 40 1HZ LYS 40 14.202 20.592 -12.223 339 HZ2 LYS 40 2HZ LYS 40 12.528 20.377 -12.321 340 HZ3 LYS 40 3HZ LYS 40 13.495 20.106 -13.682 341 H MET 41 H MET 41 16.124 14.779 -7.604 342 HA MET 41 HA MET 41 15.233 16.389 -5.329 343 HB2 MET 41 2HB MET 41 15.341 13.381 -5.463 344 HB3 MET 41 3HB MET 41 14.388 14.384 -4.378 345 HG2 MET 41 2HG MET 41 13.589 15.123 -6.942 346 HG3 MET 41 3HG MET 41 13.739 13.368 -6.988 347 HE1 MET 41 1HE MET 41 13.227 12.798 -3.888 348 HE2 MET 41 2HE MET 41 11.493 12.494 -3.793 349 HE3 MET 41 3HE MET 41 12.446 11.765 -5.086 350 H GLY 42 H GLY 42 17.947 14.606 -6.485 351 HA2 GLY 42 2HA GLY 42 20.073 14.399 -5.629 352 HA3 GLY 42 3HA GLY 42 19.605 15.525 -4.364 353 H ASP 43 H ASP 43 17.354 13.160 -4.260 354 HA ASP 43 HA ASP 43 18.886 11.631 -2.260 355 HB2 ASP 43 2HB ASP 43 16.233 12.866 -2.184 356 HB3 ASP 43 3HB ASP 43 16.230 11.182 -1.669 357 H THR 44 H THR 44 19.587 10.183 -3.932 358 HA THR 44 HA THR 44 17.551 8.574 -5.252 359 HB THR 44 HB THR 44 19.267 7.655 -6.587 360 HG1 THR 44 HG1 THR 44 21.509 8.005 -6.023 361 HG21 THR 44 1HG2 THR 44 19.773 9.522 -7.727 362 HG22 THR 44 2HG2 THR 44 20.654 10.219 -6.367 363 HG23 THR 44 3HG2 THR 44 18.899 10.373 -6.454 364 H SER 45 H SER 45 18.463 8.547 -2.258 365 HA SER 45 HA SER 45 19.462 5.906 -1.837 366 HB2 SER 45 2HB SER 45 19.661 6.543 0.325 367 HB3 SER 45 3HB SER 45 19.284 8.154 -0.285 368 HG SER 45 HG SER 45 17.671 8.010 1.060 369 H CYS 46 H CYS 46 16.261 7.408 -1.634 370 HA CYS 46 HA CYS 46 15.027 4.846 -1.014 371 HB2 CYS 46 2HB CYS 46 14.321 7.042 0.051 372 HB3 CYS 46 3HB CYS 46 13.631 7.476 -1.510 373 H PHE 47 H PHE 47 15.613 6.896 -3.723 374 HA PHE 47 HA PHE 47 13.533 5.868 -5.395 375 HB2 PHE 47 2HB PHE 47 14.911 8.094 -5.585 376 HB3 PHE 47 3HB PHE 47 16.037 7.091 -6.495 377 HD1 PHE 47 HD1 PHE 47 15.046 5.736 -8.457 378 HD2 PHE 47 HD2 PHE 47 13.113 9.072 -6.656 379 HE1 PHE 47 HE1 PHE 47 13.677 6.031 -10.480 380 HE2 PHE 47 HE2 PHE 47 11.740 9.372 -8.675 381 HZ PHE 47 HZ PHE 47 12.020 7.850 -10.591 382 H ASP 48 H ASP 48 16.852 5.005 -4.720 383 HA ASP 48 HA ASP 48 17.442 3.387 -6.893 384 HB2 ASP 48 2HB ASP 48 18.381 3.607 -4.104 385 HB3 ASP 48 3HB ASP 48 18.675 2.049 -4.871 386 H GLU 49 H GLU 49 15.506 2.705 -4.043 387 HA GLU 49 HA GLU 49 15.242 -0.096 -4.601 388 HB2 GLU 49 2HB GLU 49 13.789 1.762 -2.719 389 HB3 GLU 49 3HB GLU 49 13.418 0.049 -2.848 390 HG2 GLU 49 2HG GLU 49 16.131 1.139 -2.146 391 HG3 GLU 49 3HG GLU 49 14.923 0.638 -0.964 392 H ILE 50 H ILE 50 13.185 2.761 -5.016 393 HA ILE 50 HA ILE 50 10.974 1.354 -6.102 394 HB ILE 50 HB ILE 50 9.983 3.415 -6.504 395 HG12 ILE 50 2HG1 ILE 50 11.732 5.490 -6.444 396 HG13 ILE 50 3HG1 ILE 50 12.738 4.247 -7.180 397 HG21 ILE 50 1HG2 ILE 50 11.171 2.995 -4.096 398 HG22 ILE 50 2HG2 ILE 50 11.771 4.601 -4.507 399 HG23 ILE 50 3HG2 ILE 50 10.035 4.299 -4.441 400 HD11 ILE 50 1HD1 ILE 50 11.823 4.845 -9.108 401 HD12 ILE 50 2HD1 ILE 50 10.350 4.053 -8.547 402 HD13 ILE 50 3HD1 ILE 50 10.566 5.787 -8.307 403 H LEU 51 H LEU 51 13.905 2.654 -7.459 404 HA LEU 51 HA LEU 51 13.187 2.845 -10.147 405 HB2 LEU 51 2HB LEU 51 15.357 3.277 -10.496 406 HB3 LEU 51 3HB LEU 51 15.446 3.293 -8.736 407 HG LEU 51 HG LEU 51 15.993 0.754 -9.027 408 HD11 LEU 51 1HD1 LEU 51 16.205 1.830 -11.770 409 HD12 LEU 51 2HD1 LEU 51 15.845 0.197 -11.213 410 HD13 LEU 51 3HD1 LEU 51 17.511 0.776 -11.228 411 HD21 LEU 51 1HD2 LEU 51 17.901 1.542 -8.217 412 HD22 LEU 51 2HD2 LEU 51 17.545 3.143 -8.866 413 HD23 LEU 51 3HD2 LEU 51 18.407 1.962 -9.853 414 H LYS 52 H LYS 52 13.960 0.067 -8.182 415 HA LYS 52 HA LYS 52 14.372 -1.768 -10.313 416 HB2 LYS 52 2HB LYS 52 14.317 -1.835 -7.431 417 HB3 LYS 52 3HB LYS 52 13.413 -3.195 -8.084 418 HG2 LYS 52 2HG LYS 52 15.652 -3.909 -7.763 419 HG3 LYS 52 3HG LYS 52 15.400 -3.731 -9.501 420 HD2 LYS 52 2HD LYS 52 16.309 -1.279 -8.956 421 HD3 LYS 52 3HD LYS 52 17.103 -2.162 -7.650 422 HE2 LYS 52 2HE LYS 52 18.440 -3.331 -9.072 423 HE3 LYS 52 3HE LYS 52 17.238 -3.348 -10.361 424 HZ1 LYS 52 1HZ LYS 52 19.369 -1.907 -10.581 425 HZ2 LYS 52 2HZ LYS 52 18.512 -0.806 -9.625 426 HZ3 LYS 52 3HZ LYS 52 17.884 -1.299 -11.116 427 H GLY 53 H GLY 53 11.559 -0.940 -8.313 428 HA2 GLY 53 2HA GLY 53 9.839 -2.840 -9.600 429 HA3 GLY 53 3HA GLY 53 9.343 -1.563 -8.499 430 H LEU 54 H LEU 54 10.961 0.261 -10.447 431 HA LEU 54 HA LEU 54 8.656 1.062 -11.965 432 HB2 LEU 54 2HB LEU 54 10.838 2.362 -10.954 433 HB3 LEU 54 3HB LEU 54 11.228 2.272 -12.671 434 HG LEU 54 HG LEU 54 8.715 3.486 -11.522 435 HD11 LEU 54 1HD1 LEU 54 10.055 5.513 -12.702 436 HD12 LEU 54 2HD1 LEU 54 11.396 4.566 -12.060 437 HD13 LEU 54 3HD1 LEU 54 10.129 5.146 -10.979 438 HD21 LEU 54 1HD2 LEU 54 8.696 4.459 -13.916 439 HD22 LEU 54 2HD2 LEU 54 8.143 2.803 -13.663 440 HD23 LEU 54 3HD2 LEU 54 9.760 3.106 -14.301 441 H LYS 55 H LYS 55 9.551 -1.543 -12.634 442 HA LYS 55 HA LYS 55 10.800 -1.238 -15.264 443 HB2 LYS 55 2HB LYS 55 10.675 -3.823 -15.162 444 HB3 LYS 55 3HB LYS 55 11.841 -2.992 -14.141 445 HG2 LYS 55 2HG LYS 55 10.713 -4.774 -12.931 446 HG3 LYS 55 3HG LYS 55 10.338 -3.196 -12.236 447 HD2 LYS 55 2HD LYS 55 8.160 -3.224 -13.021 448 HD3 LYS 55 3HD LYS 55 8.528 -4.386 -14.298 449 HE2 LYS 55 2HE LYS 55 8.149 -6.145 -12.961 450 HE3 LYS 55 3HE LYS 55 8.995 -5.409 -11.600 451 HZ1 LYS 55 1HZ LYS 55 6.568 -5.796 -11.258 452 HZ2 LYS 55 2HZ LYS 55 6.261 -4.620 -12.433 453 HZ3 LYS 55 3HZ LYS 55 7.065 -4.198 -11.006 454 H GLU 56 H GLU 56 8.013 -0.421 -14.632 455 HA GLU 56 HA GLU 56 6.570 -2.231 -16.452 456 HB2 GLU 56 2HB GLU 56 5.407 -0.280 -14.458 457 HB3 GLU 56 3HB GLU 56 4.506 -1.417 -15.450 458 HG2 GLU 56 2HG GLU 56 5.597 -3.280 -14.292 459 HG3 GLU 56 3HG GLU 56 6.466 -2.128 -13.280 460 H ILE 57 H ILE 57 8.059 -0.749 -17.921 461 HA ILE 57 HA ILE 57 6.985 1.860 -18.479 462 HB ILE 57 HB ILE 57 9.359 1.421 -18.839 463 HG12 ILE 57 2HG1 ILE 57 9.567 2.408 -21.065 464 HG13 ILE 57 3HG1 ILE 57 7.919 1.929 -21.452 465 HG21 ILE 57 1HG2 ILE 57 10.205 -0.265 -20.075 466 HG22 ILE 57 2HG2 ILE 57 8.632 -0.999 -19.765 467 HG23 ILE 57 3HG2 ILE 57 8.929 -0.160 -21.287 468 HD11 ILE 57 1HD1 ILE 57 7.051 3.706 -20.430 469 HD12 ILE 57 2HD1 ILE 57 8.122 3.547 -19.038 470 HD13 ILE 57 3HD1 ILE 57 8.685 4.364 -20.496 471 H LYS 58 H LYS 58 5.447 2.397 -19.895 472 HA LYS 58 HA LYS 58 4.572 0.375 -21.849 473 HB2 LYS 58 2HB LYS 58 2.242 1.504 -21.463 474 HB3 LYS 58 3HB LYS 58 2.809 0.255 -20.362 475 HG2 LYS 58 2HG LYS 58 1.843 2.068 -19.111 476 HG3 LYS 58 3HG LYS 58 3.581 2.005 -18.812 477 HD2 LYS 58 2HD LYS 58 3.981 3.874 -20.214 478 HD3 LYS 58 3HD LYS 58 2.345 3.815 -20.876 479 HE2 LYS 58 2HE LYS 58 3.107 4.500 -18.038 480 HE3 LYS 58 3HE LYS 58 2.559 5.632 -19.274 481 HZ1 LYS 58 1HZ LYS 58 1.028 3.712 -17.702 482 HZ2 LYS 58 2HZ LYS 58 0.543 3.936 -19.307 483 HZ3 LYS 58 3HZ LYS 58 0.596 5.254 -18.248 484 H CYS 59 H CYS 59 6.389 2.230 -22.594 485 HA CYS 59 HA CYS 59 5.654 4.718 -23.436 486 HB2 CYS 59 2HB CYS 59 7.907 3.683 -23.729 487 HB3 CYS 59 3HB CYS 59 7.268 2.769 -25.092 488 H GLY 60 H GLY 60 4.750 5.609 -25.323 489 HA2 GLY 60 2HA GLY 60 2.544 4.105 -26.379 490 HA3 GLY 60 3HA GLY 60 2.979 5.755 -26.800 491 H GLY 61 H GLY 61 4.345 2.478 -27.197 492 HA2 GLY 61 2HA GLY 61 4.643 3.065 -30.065 493 HA3 GLY 61 3HA GLY 61 6.030 2.487 -29.153 494 H SER 62 H SER 62 6.391 0.485 -29.879 495 HA SER 62 HA SER 62 4.746 -1.657 -29.161 496 HB2 SER 62 2HB SER 62 4.234 -0.502 -31.843 497 HB3 SER 62 3HB SER 62 4.370 -2.258 -31.766 498 HG SER 62 HG SER 62 2.651 -2.345 -30.421 499 H TRP 63 H TRP 63 7.099 -1.825 -28.527 500 HA TRP 63 HA TRP 63 8.566 -3.286 -30.625 501 HB2 TRP 63 2HB TRP 63 10.608 -2.513 -29.110 502 HB3 TRP 63 3HB TRP 63 9.974 -1.490 -30.396 503 HD1 TRP 63 HD1 TRP 63 9.475 0.916 -29.694 504 HE1 TRP 63 HE1 TRP 63 9.042 2.139 -27.471 505 HE3 TRP 63 HE3 TRP 63 9.483 -3.106 -26.538 506 HZ2 TRP 63 HZ2 TRP 63 8.745 1.486 -24.742 507 HZ3 TRP 63 HZ3 TRP 63 9.117 -2.721 -24.136 508 HH2 TRP 63 HH2 TRP 63 8.757 -0.472 -23.258 509 H LEU 64 H LEU 64 10.474 -4.547 -29.392 510 HA LEU 64 HA LEU 64 9.143 -6.091 -27.265 511 HB2 LEU 64 2HB LEU 64 9.389 -7.507 -29.120 512 HB3 LEU 64 3HB LEU 64 11.010 -6.909 -29.467 513 HG LEU 64 HG LEU 64 11.794 -8.038 -27.383 514 HD11 LEU 64 1HD1 LEU 64 9.701 -8.155 -26.179 515 HD12 LEU 64 2HD1 LEU 64 10.343 -9.779 -26.422 516 HD13 LEU 64 3HD1 LEU 64 9.012 -9.199 -27.422 517 HD21 LEU 64 1HD2 LEU 64 12.384 -9.316 -29.160 518 HD22 LEU 64 2HD2 LEU 64 10.737 -9.410 -29.784 519 HD23 LEU 64 3HD2 LEU 64 11.226 -10.426 -28.427 520 H GLU 65 H GLU 65 10.100 -6.223 -25.335 521 HA GLU 65 HA GLU 65 12.547 -4.775 -24.875 522 HB2 GLU 65 2HB GLU 65 12.114 -5.056 -22.567 523 HB3 GLU 65 3HB GLU 65 10.543 -4.814 -23.318 524 HG2 GLU 65 2HG GLU 65 10.181 -7.248 -23.288 525 HG3 GLU 65 3HG GLU 65 11.726 -7.446 -22.462 526 H HIS 66 H HIS 66 14.538 -5.572 -24.454 527 HA HIS 66 HA HIS 66 14.927 -8.401 -23.946 528 HB2 HIS 66 2HB HIS 66 14.894 -8.428 -26.354 529 HB3 HIS 66 3HB HIS 66 15.988 -7.050 -26.434 530 HD1 HIS 66 HD1 HIS 66 16.402 -10.217 -24.382 531 HD2 HIS 66 HD2 HIS 66 18.217 -8.173 -27.510 532 HE1 HIS 66 HE1 HIS 66 18.529 -11.471 -24.859 Start of MODEL 19 1 H1 ALA 1 H ALA 1 3.592 -2.743 -2.512 2 HA ALA 1 HA ALA 1 2.238 -0.256 -1.690 3 HB1 ALA 1 1HB ALA 1 2.545 -1.162 0.665 4 HB2 ALA 1 2HB ALA 1 1.335 -1.958 -0.343 5 HB3 ALA 1 3HB ALA 1 2.910 -2.712 -0.095 6 H SER 2 H SER 2 4.564 0.008 -3.061 7 HA SER 2 HA SER 2 6.886 -0.000 -1.423 8 HB2 SER 2 2HB SER 2 7.000 1.938 -3.581 9 HB3 SER 2 3HB SER 2 7.926 0.453 -3.362 10 HG SER 2 HG SER 2 6.736 -0.368 -4.871 11 HA PRO 3 HA PRO 3 6.405 3.703 0.892 12 HB2 PRO 3 2HB PRO 3 9.009 4.387 1.241 13 HB3 PRO 3 3HB PRO 3 8.250 3.032 2.085 14 HG2 PRO 3 2HG PRO 3 9.984 3.011 -0.355 15 HG3 PRO 3 3HG PRO 3 10.013 1.926 1.048 16 HD2 PRO 3 2HD PRO 3 8.845 1.243 -1.298 17 HD3 PRO 3 3HD PRO 3 8.244 0.669 0.271 18 H CYS 4 H CYS 4 8.720 3.869 -1.804 19 HA CYS 4 HA CYS 4 7.955 6.684 -2.203 20 HB2 CYS 4 2HB CYS 4 10.489 5.171 -2.718 21 HB3 CYS 4 3HB CYS 4 10.118 6.591 -3.692 22 H ASP 5 H ASP 5 6.241 4.675 -3.104 23 HA ASP 5 HA ASP 5 6.681 3.967 -5.811 24 HB2 ASP 5 2HB ASP 5 4.957 3.079 -3.999 25 HB3 ASP 5 3HB ASP 5 3.906 4.273 -4.756 26 H LYS 6 H LYS 6 5.346 6.783 -4.252 27 HA LYS 6 HA LYS 6 3.951 7.897 -6.415 28 HB2 LYS 6 2HB LYS 6 4.271 10.064 -5.221 29 HB3 LYS 6 3HB LYS 6 3.637 8.779 -4.202 30 HG2 LYS 6 2HG LYS 6 6.277 8.482 -3.755 31 HG3 LYS 6 3HG LYS 6 6.197 10.219 -4.064 32 HD2 LYS 6 2HD LYS 6 4.448 8.755 -2.088 33 HD3 LYS 6 3HD LYS 6 5.937 9.604 -1.664 34 HE2 LYS 6 2HE LYS 6 4.919 11.590 -1.695 35 HE3 LYS 6 3HE LYS 6 4.149 11.253 -3.245 36 HZ1 LYS 6 1HZ LYS 6 3.027 11.187 -0.644 37 HZ2 LYS 6 2HZ LYS 6 2.845 9.681 -1.392 38 HZ3 LYS 6 3HZ LYS 6 2.251 11.075 -2.143 39 H GLN 7 H GLN 7 7.351 7.887 -5.590 40 HA GLN 7 HA GLN 7 8.157 9.930 -7.383 41 HB2 GLN 7 2HB GLN 7 9.523 7.798 -5.820 42 HB3 GLN 7 3HB GLN 7 10.407 8.517 -7.159 43 HG2 GLN 7 2HG GLN 7 10.974 9.674 -5.149 44 HG3 GLN 7 3HG GLN 7 10.014 10.746 -6.168 45 HE21 GLN 7 1HE2 GLN 7 9.040 8.119 -4.008 46 HE22 GLN 7 2HE2 GLN 7 8.032 9.090 -2.996 47 H LYS 8 H LYS 8 7.566 6.508 -7.726 48 HA LYS 8 HA LYS 8 8.890 6.166 -10.217 49 HB2 LYS 8 2HB LYS 8 8.528 4.143 -9.176 50 HB3 LYS 8 3HB LYS 8 6.929 4.600 -8.606 51 HG2 LYS 8 2HG LYS 8 7.288 4.321 -11.530 52 HG3 LYS 8 3HG LYS 8 7.312 2.844 -10.563 53 HD2 LYS 8 2HD LYS 8 5.162 4.153 -9.517 54 HD3 LYS 8 3HD LYS 8 5.087 4.645 -11.211 55 HE2 LYS 8 2HE LYS 8 4.629 2.544 -11.941 56 HE3 LYS 8 3HE LYS 8 5.585 1.778 -10.673 57 HZ1 LYS 8 1HZ LYS 8 3.794 1.536 -9.403 58 HZ2 LYS 8 2HZ LYS 8 2.865 1.941 -10.757 59 HZ3 LYS 8 3HZ LYS 8 3.291 3.134 -9.637 60 H ASN 9 H ASN 9 5.552 6.909 -9.309 61 HA ASN 9 HA ASN 9 4.565 6.876 -11.987 62 HB2 ASN 9 2HB ASN 9 2.935 6.492 -10.334 63 HB3 ASN 9 3HB ASN 9 3.468 7.863 -9.365 64 HD21 ASN 9 1HD2 ASN 9 2.006 7.024 -12.468 65 HD22 ASN 9 2HD2 ASN 9 1.034 8.447 -12.594 66 H TYR 10 H TYR 10 5.726 9.381 -9.793 67 HA TYR 10 HA TYR 10 5.000 11.614 -11.332 68 HB2 TYR 10 2HB TYR 10 5.615 12.181 -9.176 69 HB3 TYR 10 3HB TYR 10 7.008 11.105 -9.176 70 HD1 TYR 10 HD1 TYR 10 9.139 11.977 -9.510 71 HD2 TYR 10 HD2 TYR 10 5.758 14.259 -10.721 72 HE1 TYR 10 HE1 TYR 10 10.613 13.879 -10.023 73 HE2 TYR 10 HE2 TYR 10 7.222 16.166 -11.239 74 HH TYR 10 HH TYR 10 10.237 16.069 -11.808 75 H ILE 11 H ILE 11 7.901 9.599 -11.344 76 HA ILE 11 HA ILE 11 9.207 11.199 -13.354 77 HB ILE 11 HB ILE 11 9.923 8.472 -12.270 78 HG12 ILE 11 2HG1 ILE 11 9.952 10.363 -10.625 79 HG13 ILE 11 3HG1 ILE 11 11.524 9.614 -10.883 80 HG21 ILE 11 1HG2 ILE 11 11.171 8.429 -14.151 81 HG22 ILE 11 2HG2 ILE 11 11.106 10.178 -14.363 82 HG23 ILE 11 3HG2 ILE 11 12.236 9.471 -13.208 83 HD11 ILE 11 1HD1 ILE 11 12.353 11.443 -12.016 84 HD12 ILE 11 2HD1 ILE 11 10.747 12.043 -12.432 85 HD13 ILE 11 3HD1 ILE 11 11.340 12.184 -10.777 86 H ASP 12 H ASP 12 7.567 8.063 -13.225 87 HA ASP 12 HA ASP 12 8.041 7.321 -15.901 88 HB2 ASP 12 2HB ASP 12 7.271 5.774 -14.101 89 HB3 ASP 12 3HB ASP 12 5.686 6.539 -14.171 90 H LYS 13 H LYS 13 5.608 9.336 -14.397 91 HA LYS 13 HA LYS 13 4.000 9.508 -16.794 92 HB2 LYS 13 2HB LYS 13 2.492 10.782 -15.536 93 HB3 LYS 13 3HB LYS 13 3.160 9.651 -14.367 94 HG2 LYS 13 2HG LYS 13 4.723 11.411 -13.616 95 HG3 LYS 13 3HG LYS 13 3.936 12.538 -14.723 96 HD2 LYS 13 2HD LYS 13 1.788 11.580 -13.397 97 HD3 LYS 13 3HD LYS 13 3.017 11.460 -12.135 98 HE2 LYS 13 2HE LYS 13 2.743 13.629 -11.740 99 HE3 LYS 13 3HE LYS 13 3.394 13.962 -13.344 100 HZ1 LYS 13 1HZ LYS 13 1.255 15.007 -13.079 101 HZ2 LYS 13 2HZ LYS 13 0.534 13.533 -12.667 102 HZ3 LYS 13 3HZ LYS 13 1.133 13.773 -14.231 103 H GLN 14 H GLN 14 6.575 11.277 -15.280 104 HA GLN 14 HA GLN 14 6.196 13.586 -17.017 105 HB2 GLN 14 2HB GLN 14 8.068 12.979 -14.740 106 HB3 GLN 14 3HB GLN 14 8.307 14.377 -15.781 107 HG2 GLN 14 2HG GLN 14 5.794 13.829 -14.220 108 HG3 GLN 14 3HG GLN 14 7.104 14.877 -13.677 109 HE21 GLN 14 1HE2 GLN 14 4.420 14.518 -15.818 110 HE22 GLN 14 2HE2 GLN 14 4.392 16.145 -16.399 111 H LEU 15 H LEU 15 7.736 10.615 -17.133 112 HA LEU 15 HA LEU 15 9.821 11.582 -18.962 113 HB2 LEU 15 2HB LEU 15 10.499 10.148 -17.056 114 HB3 LEU 15 3HB LEU 15 9.504 8.854 -17.720 115 HG LEU 15 HG LEU 15 11.480 9.906 -19.605 116 HD11 LEU 15 1HD1 LEU 15 13.164 10.053 -18.135 117 HD12 LEU 15 2HD1 LEU 15 13.132 8.290 -18.172 118 HD13 LEU 15 3HD1 LEU 15 12.290 9.160 -16.890 119 HD21 LEU 15 1HD2 LEU 15 10.053 7.862 -19.867 120 HD22 LEU 15 2HD2 LEU 15 11.007 7.109 -18.589 121 HD23 LEU 15 3HD2 LEU 15 11.781 7.596 -20.098 122 H LEU 16 H LEU 16 6.751 10.268 -18.973 123 HA LEU 16 HA LEU 16 6.974 8.534 -21.233 124 HB2 LEU 16 2HB LEU 16 4.973 9.285 -19.363 125 HB3 LEU 16 3HB LEU 16 4.332 9.553 -20.982 126 HG LEU 16 HG LEU 16 4.691 7.236 -21.555 127 HD11 LEU 16 1HD1 LEU 16 5.322 6.033 -19.094 128 HD12 LEU 16 2HD1 LEU 16 6.499 7.322 -19.342 129 HD13 LEU 16 3HD1 LEU 16 6.293 6.069 -20.566 130 HD21 LEU 16 1HD2 LEU 16 3.359 6.268 -19.431 131 HD22 LEU 16 2HD2 LEU 16 2.605 7.242 -20.693 132 HD23 LEU 16 3HD2 LEU 16 3.113 7.997 -19.182 133 HA PRO 17 HA PRO 17 5.333 12.616 -23.356 134 HB2 PRO 17 2HB PRO 17 6.423 14.871 -22.308 135 HB3 PRO 17 3HB PRO 17 4.878 14.207 -21.763 136 HG2 PRO 17 2HG PRO 17 7.594 13.941 -20.533 137 HG3 PRO 17 3HG PRO 17 6.036 14.251 -19.746 138 HD2 PRO 17 2HD PRO 17 7.183 11.799 -19.791 139 HD3 PRO 17 3HD PRO 17 5.423 12.030 -19.804 140 H ILE 18 H ILE 18 8.578 12.578 -21.920 141 HA ILE 18 HA ILE 18 9.793 13.687 -24.292 142 HB ILE 18 HB ILE 18 11.940 13.245 -23.111 143 HG12 ILE 18 2HG1 ILE 18 10.175 12.364 -20.819 144 HG13 ILE 18 3HG1 ILE 18 11.090 11.258 -21.838 145 HG21 ILE 18 1HG2 ILE 18 10.795 15.377 -22.861 146 HG22 ILE 18 2HG2 ILE 18 9.851 14.728 -21.521 147 HG23 ILE 18 3HG2 ILE 18 11.596 14.923 -21.357 148 HD11 ILE 18 1HD1 ILE 18 12.939 13.150 -20.966 149 HD12 ILE 18 2HD1 ILE 18 11.944 12.776 -19.559 150 HD13 ILE 18 3HD1 ILE 18 12.772 11.481 -20.423 151 H VAL 19 H VAL 19 9.043 10.558 -23.063 152 HA VAL 19 HA VAL 19 10.975 9.156 -24.690 153 HB VAL 19 HB VAL 19 9.878 8.410 -22.421 154 HG11 VAL 19 1HG1 VAL 19 8.000 6.907 -22.693 155 HG12 VAL 19 2HG1 VAL 19 7.571 8.512 -23.287 156 HG13 VAL 19 3HG1 VAL 19 7.963 7.225 -24.427 157 HG21 VAL 19 1HG2 VAL 19 10.224 6.009 -23.131 158 HG22 VAL 19 2HG2 VAL 19 10.513 6.623 -24.759 159 HG23 VAL 19 3HG2 VAL 19 11.574 7.103 -23.434 160 H ASN 20 H ASN 20 7.477 9.729 -24.737 161 HA ASN 20 HA ASN 20 7.132 8.265 -27.199 162 HB2 ASN 20 2HB ASN 20 5.169 8.086 -26.055 163 HB3 ASN 20 3HB ASN 20 5.372 9.641 -25.254 164 HD21 ASN 20 1HD2 ASN 20 4.423 11.417 -26.088 165 HD22 ASN 20 2HD2 ASN 20 3.434 11.414 -27.504 166 H LYS 21 H LYS 21 8.216 11.326 -26.403 167 HA LYS 21 HA LYS 21 7.065 12.921 -28.422 168 HB2 LYS 21 2HB LYS 21 9.176 13.165 -26.455 169 HB3 LYS 21 3HB LYS 21 9.651 13.904 -27.979 170 HG2 LYS 21 2HG LYS 21 7.852 15.412 -27.932 171 HG3 LYS 21 3HG LYS 21 7.019 14.505 -26.668 172 HD2 LYS 21 2HD LYS 21 8.234 15.448 -25.016 173 HD3 LYS 21 3HD LYS 21 9.720 15.445 -25.969 174 HE2 LYS 21 2HE LYS 21 7.431 17.362 -26.392 175 HE3 LYS 21 3HE LYS 21 8.856 17.719 -25.418 176 HZ1 LYS 21 1HZ LYS 21 9.589 18.547 -27.364 177 HZ2 LYS 21 2HZ LYS 21 8.574 17.576 -28.307 178 HZ3 LYS 21 3HZ LYS 21 10.006 16.937 -27.674 179 H ALA 22 H ALA 22 10.092 11.064 -28.330 180 HA ALA 22 HA ALA 22 10.652 11.682 -31.108 181 HB1 ALA 22 1HB ALA 22 12.103 10.300 -28.909 182 HB2 ALA 22 2HB ALA 22 12.554 9.939 -30.576 183 HB3 ALA 22 3HB ALA 22 12.638 11.596 -29.978 184 H GLY 23 H GLY 23 9.548 8.949 -29.175 185 HA2 GLY 23 2HA GLY 23 8.009 7.721 -31.061 186 HA3 GLY 23 3HA GLY 23 9.621 7.094 -31.373 187 H CYS 24 H CYS 24 10.724 5.994 -29.602 188 HA CYS 24 HA CYS 24 9.720 5.305 -27.157 189 HB2 CYS 24 2HB CYS 24 8.158 4.108 -29.254 190 HB3 CYS 24 3HB CYS 24 8.972 2.848 -28.333 191 H SER 25 H SER 25 11.841 5.114 -26.600 192 HA SER 25 HA SER 25 13.659 3.438 -28.062 193 HB2 SER 25 2HB SER 25 13.962 5.562 -26.331 194 HB3 SER 25 3HB SER 25 14.477 4.190 -25.350 195 HG SER 25 HG SER 25 16.176 3.934 -26.585 196 H ARG 26 H ARG 26 15.122 2.184 -26.096 197 HA ARG 26 HA ARG 26 13.509 -0.140 -25.617 198 HB2 ARG 26 2HB ARG 26 16.300 0.377 -24.592 199 HB3 ARG 26 3HB ARG 26 15.520 -1.179 -24.845 200 HG2 ARG 26 2HG ARG 26 15.852 -1.137 -27.103 201 HG3 ARG 26 3HG ARG 26 15.855 0.626 -27.181 202 HD2 ARG 26 2HD ARG 26 18.062 0.778 -26.473 203 HD3 ARG 26 3HD ARG 26 18.044 -0.831 -25.754 204 HE ARG 26 HE ARG 26 18.719 -0.169 -28.439 205 HH11 ARG 26 1HH1 ARG 26 17.250 -2.627 -26.459 206 HH12 ARG 26 2HH1 ARG 26 17.626 -3.917 -27.553 207 HH21 ARG 26 1HH2 ARG 26 19.221 -1.858 -29.886 208 HH22 ARG 26 2HH2 ARG 26 18.748 -3.479 -29.501 209 HA PRO 27 HA PRO 27 12.140 0.700 -21.526 210 HB2 PRO 27 2HB PRO 27 11.940 -1.831 -20.563 211 HB3 PRO 27 3HB PRO 27 10.805 -1.158 -21.740 212 HG2 PRO 27 2HG PRO 27 13.156 -2.957 -22.189 213 HG3 PRO 27 3HG PRO 27 11.536 -3.032 -22.907 214 HD2 PRO 27 2HD PRO 27 13.663 -1.990 -24.218 215 HD3 PRO 27 3HD PRO 27 12.008 -1.392 -24.455 216 H GLU 28 H GLU 28 14.943 -1.385 -21.981 217 HA GLU 28 HA GLU 28 15.785 -1.330 -19.258 218 HB2 GLU 28 2HB GLU 28 16.593 -2.620 -21.655 219 HB3 GLU 28 3HB GLU 28 17.994 -1.770 -21.019 220 HG2 GLU 28 2HG GLU 28 17.957 -4.018 -20.175 221 HG3 GLU 28 3HG GLU 28 17.667 -2.886 -18.855 222 H GLU 29 H GLU 29 16.505 0.597 -22.114 223 HA GLU 29 HA GLU 29 18.604 2.096 -20.870 224 HB2 GLU 29 2HB GLU 29 17.001 2.831 -23.322 225 HB3 GLU 29 3HB GLU 29 18.580 3.455 -22.864 226 HG2 GLU 29 2HG GLU 29 18.595 0.573 -23.053 227 HG3 GLU 29 3HG GLU 29 18.052 1.323 -24.553 228 H VAL 30 H VAL 30 15.146 2.425 -21.201 229 HA VAL 30 HA VAL 30 14.867 5.147 -20.597 230 HB VAL 30 HB VAL 30 13.013 2.827 -20.061 231 HG11 VAL 30 1HG1 VAL 30 12.799 5.680 -19.339 232 HG12 VAL 30 2HG1 VAL 30 11.373 4.956 -20.086 233 HG13 VAL 30 3HG1 VAL 30 12.044 4.263 -18.609 234 HG21 VAL 30 1HG2 VAL 30 12.312 4.882 -22.031 235 HG22 VAL 30 2HG2 VAL 30 13.747 3.939 -22.435 236 HG23 VAL 30 3HG2 VAL 30 12.211 3.125 -22.138 237 H GLU 31 H GLU 31 15.249 2.330 -18.522 238 HA GLU 31 HA GLU 31 14.574 3.447 -16.066 239 HB2 GLU 31 2HB GLU 31 15.593 1.608 -15.081 240 HB3 GLU 31 3HB GLU 31 15.221 1.012 -16.692 241 HG2 GLU 31 2HG GLU 31 17.633 1.818 -17.247 242 HG3 GLU 31 3HG GLU 31 17.857 1.728 -15.501 243 H GLU 32 H GLU 32 17.517 3.719 -17.951 244 HA GLU 32 HA GLU 32 19.124 4.866 -15.913 245 HB2 GLU 32 2HB GLU 32 19.341 4.350 -18.782 246 HB3 GLU 32 3HB GLU 32 20.150 5.830 -18.287 247 HG2 GLU 32 2HG GLU 32 21.799 4.206 -18.128 248 HG3 GLU 32 3HG GLU 32 21.243 4.409 -16.468 249 H ARG 33 H ARG 33 16.917 6.187 -18.302 250 HA ARG 33 HA ARG 33 17.649 8.907 -17.961 251 HB2 ARG 33 2HB ARG 33 14.989 7.812 -18.888 252 HB3 ARG 33 3HB ARG 33 15.625 9.425 -19.183 253 HG2 ARG 33 2HG ARG 33 17.340 8.555 -20.612 254 HG3 ARG 33 3HG ARG 33 16.896 6.896 -20.204 255 HD2 ARG 33 2HD ARG 33 14.535 7.712 -21.091 256 HD3 ARG 33 3HD ARG 33 15.541 8.852 -21.983 257 HE ARG 33 HE ARG 33 15.302 6.023 -22.439 258 HH11 ARG 33 1HH1 ARG 33 17.312 8.835 -22.851 259 HH12 ARG 33 2HH1 ARG 33 18.174 8.181 -24.204 260 HH21 ARG 33 1HH2 ARG 33 16.430 5.151 -24.219 261 HH22 ARG 33 2HH2 ARG 33 17.671 6.086 -24.982 262 H ILE 34 H ILE 34 15.437 6.763 -16.310 263 HA ILE 34 HA ILE 34 13.876 8.653 -14.957 264 HB ILE 34 HB ILE 34 14.711 5.927 -13.961 265 HG12 ILE 34 2HG1 ILE 34 12.332 6.780 -15.625 266 HG13 ILE 34 3HG1 ILE 34 13.681 5.790 -16.172 267 HG21 ILE 34 1HG2 ILE 34 12.074 6.886 -13.221 268 HG22 ILE 34 2HG2 ILE 34 13.355 6.211 -12.215 269 HG23 ILE 34 3HG2 ILE 34 13.363 7.928 -12.619 270 HD11 ILE 34 1HD1 ILE 34 12.602 3.976 -15.532 271 HD12 ILE 34 2HD1 ILE 34 12.572 4.567 -13.870 272 HD13 ILE 34 3HD1 ILE 34 11.257 4.970 -14.973 273 H ARG 35 H ARG 35 16.952 7.132 -14.067 274 HA ARG 35 HA ARG 35 17.192 8.190 -11.494 275 HB2 ARG 35 2HB ARG 35 19.064 7.083 -13.514 276 HB3 ARG 35 3HB ARG 35 19.772 8.042 -12.222 277 HG2 ARG 35 2HG ARG 35 17.832 6.016 -11.351 278 HG3 ARG 35 3HG ARG 35 19.312 5.387 -12.079 279 HD2 ARG 35 2HD ARG 35 19.957 7.516 -10.276 280 HD3 ARG 35 3HD ARG 35 18.934 6.338 -9.454 281 HE ARG 35 HE ARG 35 20.791 4.799 -10.679 282 HH11 ARG 35 1HH1 ARG 35 20.980 7.561 -8.568 283 HH12 ARG 35 2HH1 ARG 35 22.491 7.084 -7.866 284 HH21 ARG 35 1HH2 ARG 35 22.780 4.161 -9.763 285 HH22 ARG 35 2HH2 ARG 35 23.514 5.151 -8.547 286 H ARG 36 H ARG 36 17.938 9.574 -14.635 287 HA ARG 36 HA ARG 36 19.435 11.786 -13.787 288 HB2 ARG 36 2HB ARG 36 19.350 11.151 -16.122 289 HB3 ARG 36 3HB ARG 36 17.620 11.461 -16.180 290 HG2 ARG 36 2HG ARG 36 17.901 13.763 -16.125 291 HG3 ARG 36 3HG ARG 36 19.534 13.644 -15.467 292 HD2 ARG 36 2HD ARG 36 18.673 12.865 -18.251 293 HD3 ARG 36 3HD ARG 36 19.577 14.314 -17.812 294 HE ARG 36 HE ARG 36 21.133 12.325 -16.862 295 HH11 ARG 36 1HH1 ARG 36 19.654 12.909 -19.960 296 HH12 ARG 36 2HH1 ARG 36 20.898 12.098 -20.853 297 HH21 ARG 36 1HH2 ARG 36 22.777 11.255 -18.027 298 HH22 ARG 36 2HH2 ARG 36 22.673 11.157 -19.752 299 H ALA 37 H ALA 37 15.942 11.433 -14.326 300 HA ALA 37 HA ALA 37 15.267 14.096 -13.665 301 HB1 ALA 37 1HB ALA 37 13.748 11.543 -13.920 302 HB2 ALA 37 2HB ALA 37 12.966 12.946 -13.192 303 HB3 ALA 37 3HB ALA 37 13.595 13.042 -14.837 304 H LEU 38 H LEU 38 15.756 11.210 -11.747 305 HA LEU 38 HA LEU 38 14.518 12.051 -9.371 306 HB2 LEU 38 2HB LEU 38 15.003 9.863 -9.170 307 HB3 LEU 38 3HB LEU 38 16.447 9.986 -10.173 308 HG LEU 38 HG LEU 38 17.590 11.014 -8.156 309 HD11 LEU 38 1HD1 LEU 38 14.926 10.628 -7.092 310 HD12 LEU 38 2HD1 LEU 38 16.277 11.558 -6.446 311 HD13 LEU 38 3HD1 LEU 38 16.154 9.832 -6.106 312 HD21 LEU 38 1HD2 LEU 38 17.538 8.636 -6.977 313 HD22 LEU 38 2HD2 LEU 38 18.349 8.900 -8.522 314 HD23 LEU 38 3HD2 LEU 38 16.733 8.192 -8.482 315 H LYS 39 H LYS 39 17.600 12.822 -10.789 316 HA LYS 39 HA LYS 39 19.016 13.726 -8.578 317 HB2 LYS 39 2HB LYS 39 20.163 13.564 -10.647 318 HB3 LYS 39 3HB LYS 39 19.010 14.617 -11.456 319 HG2 LYS 39 2HG LYS 39 20.282 15.945 -9.224 320 HG3 LYS 39 3HG LYS 39 21.460 15.341 -10.392 321 HD2 LYS 39 2HD LYS 39 21.024 17.322 -11.401 322 HD3 LYS 39 3HD LYS 39 19.671 16.414 -12.079 323 HE2 LYS 39 2HE LYS 39 18.129 17.424 -10.703 324 HE3 LYS 39 3HE LYS 39 19.322 17.789 -9.457 325 HZ1 LYS 39 1HZ LYS 39 18.701 19.811 -10.516 326 HZ2 LYS 39 2HZ LYS 39 18.972 19.173 -12.058 327 HZ3 LYS 39 3HZ LYS 39 20.276 19.447 -11.016 328 H LYS 40 H LYS 40 16.344 15.169 -10.266 329 HA LYS 40 HA LYS 40 16.626 17.836 -9.470 330 HB2 LYS 40 2HB LYS 40 14.031 16.331 -9.836 331 HB3 LYS 40 3HB LYS 40 14.261 18.071 -9.944 332 HG2 LYS 40 2HG LYS 40 15.619 16.120 -11.784 333 HG3 LYS 40 3HG LYS 40 14.051 16.853 -12.130 334 HD2 LYS 40 2HD LYS 40 16.450 18.529 -11.460 335 HD3 LYS 40 3HD LYS 40 16.151 17.967 -13.107 336 HE2 LYS 40 2HE LYS 40 14.155 19.514 -11.461 337 HE3 LYS 40 3HE LYS 40 15.274 20.256 -12.603 338 HZ1 LYS 40 1HZ LYS 40 13.214 18.225 -13.276 339 HZ2 LYS 40 2HZ LYS 40 14.284 18.943 -14.372 340 HZ3 LYS 40 3HZ LYS 40 13.107 19.882 -13.600 341 H MET 41 H MET 41 15.808 15.038 -7.662 342 HA MET 41 HA MET 41 14.678 16.621 -5.474 343 HB2 MET 41 2HB MET 41 15.008 13.630 -5.498 344 HB3 MET 41 3HB MET 41 13.892 14.597 -4.544 345 HG2 MET 41 2HG MET 41 13.223 15.195 -7.157 346 HG3 MET 41 3HG MET 41 13.581 13.470 -7.189 347 HE1 MET 41 1HE MET 41 12.029 15.429 -4.006 348 HE2 MET 41 2HE MET 41 11.652 16.306 -5.489 349 HE3 MET 41 3HE MET 41 10.367 15.496 -4.592 350 H GLY 42 H GLY 42 17.565 14.995 -6.438 351 HA2 GLY 42 2HA GLY 42 19.649 14.945 -5.465 352 HA3 GLY 42 3HA GLY 42 19.045 16.078 -4.265 353 H ASP 43 H ASP 43 16.945 13.572 -4.207 354 HA ASP 43 HA ASP 43 18.451 12.215 -2.067 355 HB2 ASP 43 2HB ASP 43 15.720 13.261 -2.197 356 HB3 ASP 43 3HB ASP 43 15.798 11.597 -1.626 357 H THR 44 H THR 44 19.357 10.762 -3.626 358 HA THR 44 HA THR 44 17.531 8.980 -5.028 359 HB THR 44 HB THR 44 19.399 8.129 -6.195 360 HG1 THR 44 HG1 THR 44 21.569 8.674 -5.477 361 HG21 THR 44 1HG2 THR 44 18.867 10.839 -6.164 362 HG22 THR 44 2HG2 THR 44 19.830 9.986 -7.371 363 HG23 THR 44 3HG2 THR 44 20.621 10.766 -6.002 364 H SER 45 H SER 45 18.203 9.108 -1.976 365 HA SER 45 HA SER 45 19.336 6.558 -1.379 366 HB2 SER 45 2HB SER 45 18.276 7.097 0.941 367 HB3 SER 45 3HB SER 45 19.602 8.100 0.353 368 HG SER 45 HG SER 45 18.216 9.714 -0.073 369 H CYS 46 H CYS 46 16.034 7.839 -1.470 370 HA CYS 46 HA CYS 46 14.935 5.208 -0.879 371 HB2 CYS 46 2HB CYS 46 13.982 7.301 0.129 372 HB3 CYS 46 3HB CYS 46 13.453 7.773 -1.482 373 H PHE 47 H PHE 47 15.581 7.249 -3.579 374 HA PHE 47 HA PHE 47 13.692 6.073 -5.374 375 HB2 PHE 47 2HB PHE 47 14.956 8.369 -5.512 376 HB3 PHE 47 3HB PHE 47 16.199 7.416 -6.317 377 HD1 PHE 47 HD1 PHE 47 15.411 5.957 -8.307 378 HD2 PHE 47 HD2 PHE 47 13.207 9.243 -6.737 379 HE1 PHE 47 HE1 PHE 47 14.179 6.140 -10.429 380 HE2 PHE 47 HE2 PHE 47 11.971 9.430 -8.856 381 HZ PHE 47 HZ PHE 47 12.455 7.878 -10.705 382 H ASP 48 H ASP 48 16.985 5.397 -4.429 383 HA ASP 48 HA ASP 48 17.832 3.786 -6.521 384 HB2 ASP 48 2HB ASP 48 19.395 4.404 -4.821 385 HB3 ASP 48 3HB ASP 48 18.425 3.641 -3.564 386 H GLU 49 H GLU 49 15.706 3.039 -3.827 387 HA GLU 49 HA GLU 49 15.633 0.221 -4.356 388 HB2 GLU 49 2HB GLU 49 13.968 2.040 -2.621 389 HB3 GLU 49 3HB GLU 49 13.636 0.320 -2.775 390 HG2 GLU 49 2HG GLU 49 15.362 -0.265 -1.471 391 HG3 GLU 49 3HG GLU 49 16.417 0.986 -2.124 392 H ILE 50 H ILE 50 13.486 2.965 -5.005 393 HA ILE 50 HA ILE 50 11.463 1.406 -6.265 394 HB ILE 50 HB ILE 50 10.357 3.391 -6.726 395 HG12 ILE 50 2HG1 ILE 50 11.925 5.593 -6.527 396 HG13 ILE 50 3HG1 ILE 50 13.089 4.439 -7.169 397 HG21 ILE 50 1HG2 ILE 50 10.203 4.323 -4.677 398 HG22 ILE 50 2HG2 ILE 50 11.310 3.023 -4.238 399 HG23 ILE 50 3HG2 ILE 50 11.936 4.637 -4.572 400 HD11 ILE 50 1HD1 ILE 50 10.664 4.210 -8.640 401 HD12 ILE 50 2HD1 ILE 50 11.136 5.908 -8.561 402 HD13 ILE 50 3HD1 ILE 50 12.261 4.707 -9.196 403 H LEU 51 H LEU 51 14.432 2.840 -7.329 404 HA LEU 51 HA LEU 51 13.997 3.135 -10.051 405 HB2 LEU 51 2HB LEU 51 16.237 3.399 -10.235 406 HB3 LEU 51 3HB LEU 51 16.094 3.550 -8.485 407 HG LEU 51 HG LEU 51 16.620 1.028 -8.438 408 HD11 LEU 51 1HD1 LEU 51 18.301 0.816 -10.573 409 HD12 LEU 51 2HD1 LEU 51 16.921 1.656 -11.280 410 HD13 LEU 51 3HD1 LEU 51 16.690 0.104 -10.475 411 HD21 LEU 51 1HD2 LEU 51 18.211 3.349 -8.389 412 HD22 LEU 51 2HD2 LEU 51 19.107 2.142 -9.312 413 HD23 LEU 51 3HD2 LEU 51 18.564 1.775 -7.674 414 H LYS 52 H LYS 52 14.769 0.237 -8.198 415 HA LYS 52 HA LYS 52 15.112 -1.453 -10.469 416 HB2 LYS 52 2HB LYS 52 15.307 -3.232 -8.937 417 HB3 LYS 52 3HB LYS 52 15.989 -1.841 -8.104 418 HG2 LYS 52 2HG LYS 52 13.427 -1.681 -7.285 419 HG3 LYS 52 3HG LYS 52 13.589 -3.426 -7.495 420 HD2 LYS 52 2HD LYS 52 15.646 -3.336 -6.092 421 HD3 LYS 52 3HD LYS 52 15.312 -1.629 -5.791 422 HE2 LYS 52 2HE LYS 52 14.280 -2.499 -3.965 423 HE3 LYS 52 3HE LYS 52 12.941 -2.630 -5.105 424 HZ1 LYS 52 1HZ LYS 52 12.923 -4.797 -4.728 425 HZ2 LYS 52 2HZ LYS 52 14.274 -4.684 -3.716 426 HZ3 LYS 52 3HZ LYS 52 14.480 -4.929 -5.378 427 H GLY 53 H GLY 53 12.394 -0.579 -8.417 428 HA2 GLY 53 2HA GLY 53 10.633 -2.554 -9.563 429 HA3 GLY 53 3HA GLY 53 10.181 -1.267 -8.455 430 H LEU 54 H LEU 54 11.681 0.564 -10.471 431 HA LEU 54 HA LEU 54 9.307 1.302 -11.917 432 HB2 LEU 54 2HB LEU 54 11.638 2.593 -11.051 433 HB3 LEU 54 3HB LEU 54 11.682 2.659 -12.812 434 HG LEU 54 HG LEU 54 9.447 3.685 -11.061 435 HD11 LEU 54 1HD1 LEU 54 11.935 4.847 -11.899 436 HD12 LEU 54 2HD1 LEU 54 10.683 5.514 -10.853 437 HD13 LEU 54 3HD1 LEU 54 10.579 5.731 -12.599 438 HD21 LEU 54 1HD2 LEU 54 8.979 4.794 -13.431 439 HD22 LEU 54 2HD2 LEU 54 8.305 3.230 -12.973 440 HD23 LEU 54 3HD2 LEU 54 9.747 3.307 -13.987 441 H LYS 55 H LYS 55 10.294 -1.280 -12.601 442 HA LYS 55 HA LYS 55 11.437 -0.934 -15.272 443 HB2 LYS 55 2HB LYS 55 11.923 -3.263 -15.241 444 HB3 LYS 55 3HB LYS 55 12.362 -2.637 -13.657 445 HG2 LYS 55 2HG LYS 55 9.733 -3.424 -13.343 446 HG3 LYS 55 3HG LYS 55 10.430 -4.669 -14.383 447 HD2 LYS 55 2HD LYS 55 12.401 -4.477 -12.594 448 HD3 LYS 55 3HD LYS 55 11.056 -3.963 -11.571 449 HE2 LYS 55 2HE LYS 55 11.237 -6.534 -13.139 450 HE3 LYS 55 3HE LYS 55 11.400 -6.362 -11.392 451 HZ1 LYS 55 1HZ LYS 55 9.219 -6.583 -11.223 452 HZ2 LYS 55 2HZ LYS 55 9.056 -6.683 -12.903 453 HZ3 LYS 55 3HZ LYS 55 8.989 -5.177 -12.136 454 H GLU 56 H GLU 56 8.632 -0.249 -14.526 455 HA GLU 56 HA GLU 56 7.218 -2.108 -16.320 456 HB2 GLU 56 2HB GLU 56 6.058 -0.274 -14.215 457 HB3 GLU 56 3HB GLU 56 5.145 -1.379 -15.233 458 HG2 GLU 56 2HG GLU 56 5.821 -3.229 -14.079 459 HG3 GLU 56 3HG GLU 56 7.332 -2.487 -13.556 460 H ILE 57 H ILE 57 8.591 -0.493 -17.789 461 HA ILE 57 HA ILE 57 7.253 2.022 -18.281 462 HB ILE 57 HB ILE 57 9.646 1.966 -18.577 463 HG12 ILE 57 2HG1 ILE 57 9.813 2.823 -20.893 464 HG13 ILE 57 3HG1 ILE 57 8.216 2.167 -21.237 465 HG21 ILE 57 1HG2 ILE 57 9.115 -0.554 -19.785 466 HG22 ILE 57 2HG2 ILE 57 9.978 0.454 -20.946 467 HG23 ILE 57 3HG2 ILE 57 10.669 0.157 -19.351 468 HD11 ILE 57 1HD1 ILE 57 8.835 4.705 -20.284 469 HD12 ILE 57 2HD1 ILE 57 7.236 3.972 -20.418 470 HD13 ILE 57 3HD1 ILE 57 8.139 3.849 -18.909 471 H LYS 58 H LYS 58 5.655 2.365 -19.679 472 HA LYS 58 HA LYS 58 5.156 0.359 -21.775 473 HB2 LYS 58 2HB LYS 58 3.048 1.756 -20.117 474 HB3 LYS 58 3HB LYS 58 2.745 0.623 -21.428 475 HG2 LYS 58 2HG LYS 58 3.318 -1.197 -20.179 476 HG3 LYS 58 3HG LYS 58 4.429 -0.283 -19.156 477 HD2 LYS 58 2HD LYS 58 1.564 0.443 -18.991 478 HD3 LYS 58 3HD LYS 58 2.024 -1.124 -18.322 479 HE2 LYS 58 2HE LYS 58 2.082 0.685 -16.646 480 HE3 LYS 58 3HE LYS 58 3.655 -0.076 -16.882 481 HZ1 LYS 58 1HZ LYS 58 3.728 2.381 -16.761 482 HZ2 LYS 58 2HZ LYS 58 2.826 2.457 -18.189 483 HZ3 LYS 58 3HZ LYS 58 4.368 1.762 -18.199 484 H CYS 59 H CYS 59 6.643 2.574 -22.307 485 HA CYS 59 HA CYS 59 5.397 4.917 -23.044 486 HB2 CYS 59 2HB CYS 59 7.264 5.369 -24.405 487 HB3 CYS 59 3HB CYS 59 7.885 4.303 -23.149 488 H GLY 60 H GLY 60 4.411 5.691 -24.915 489 HA2 GLY 60 2HA GLY 60 2.950 5.572 -26.683 490 HA3 GLY 60 3HA GLY 60 4.054 4.361 -27.319 491 H GLY 61 H GLY 61 2.588 2.948 -28.161 492 HA2 GLY 61 2HA GLY 61 0.534 1.890 -26.331 493 HA3 GLY 61 3HA GLY 61 0.464 1.807 -28.085 494 H SER 62 H SER 62 2.204 0.476 -29.129 495 HA SER 62 HA SER 62 2.286 -2.090 -27.823 496 HB2 SER 62 2HB SER 62 3.106 -2.945 -29.897 497 HB3 SER 62 3HB SER 62 1.894 -1.730 -30.305 498 HG SER 62 HG SER 62 3.989 -1.663 -31.465 499 H TRP 63 H TRP 63 4.554 -3.295 -28.370 500 HA TRP 63 HA TRP 63 6.759 -1.610 -27.432 501 HB2 TRP 63 2HB TRP 63 5.403 -3.621 -25.863 502 HB3 TRP 63 3HB TRP 63 7.089 -4.067 -26.107 503 HD1 TRP 63 HD1 TRP 63 5.325 -2.673 -23.478 504 HE1 TRP 63 HE1 TRP 63 6.609 -0.853 -22.187 505 HE3 TRP 63 HE3 TRP 63 8.906 -1.581 -26.959 506 HZ2 TRP 63 HZ2 TRP 63 8.843 0.824 -22.591 507 HZ3 TRP 63 HZ3 TRP 63 10.579 0.144 -26.429 508 HH2 TRP 63 HH2 TRP 63 10.546 1.320 -24.290 509 H LEU 64 H LEU 64 8.359 -1.836 -28.837 510 HA LEU 64 HA LEU 64 8.875 -4.504 -29.969 511 HB2 LEU 64 2HB LEU 64 9.718 -3.203 -32.006 512 HB3 LEU 64 3HB LEU 64 7.979 -3.382 -31.790 513 HG LEU 64 HG LEU 64 9.264 -0.914 -30.741 514 HD11 LEU 64 1HD1 LEU 64 8.840 0.066 -33.078 515 HD12 LEU 64 2HD1 LEU 64 8.957 -1.600 -33.641 516 HD13 LEU 64 3HD1 LEU 64 10.322 -0.852 -32.812 517 HD21 LEU 64 1HD2 LEU 64 6.615 -1.856 -31.625 518 HD22 LEU 64 2HD2 LEU 64 7.013 -0.186 -32.028 519 HD23 LEU 64 3HD2 LEU 64 7.052 -0.721 -30.347 520 H GLU 65 H GLU 65 10.417 -4.711 -28.227 521 HA GLU 65 HA GLU 65 12.938 -3.317 -28.831 522 HB2 GLU 65 2HB GLU 65 13.458 -3.070 -26.532 523 HB3 GLU 65 3HB GLU 65 11.805 -2.501 -26.719 524 HG2 GLU 65 2HG GLU 65 12.576 -5.238 -25.736 525 HG3 GLU 65 3HG GLU 65 12.149 -3.875 -24.703 526 H HIS 66 H HIS 66 14.616 -4.627 -27.130 527 HA HIS 66 HA HIS 66 15.932 -6.483 -27.029 528 HB2 HIS 66 2HB HIS 66 13.172 -7.430 -26.595 529 HB3 HIS 66 3HB HIS 66 14.325 -8.680 -27.055 530 HD1 HIS 66 HD1 HIS 66 16.702 -8.380 -25.504 531 HD2 HIS 66 HD2 HIS 66 13.051 -7.188 -23.918 532 HE1 HIS 66 HE1 HIS 66 17.033 -8.335 -23.011 Start of MODEL 20 1 H1 ALA 1 H ALA 1 2.786 -1.612 0.249 2 HA ALA 1 HA ALA 1 3.096 -1.839 -2.444 3 HB1 ALA 1 1HB ALA 1 2.452 0.224 -3.455 4 HB2 ALA 1 2HB ALA 1 1.049 -0.413 -2.596 5 HB3 ALA 1 3HB ALA 1 1.986 0.907 -1.896 6 H SER 2 H SER 2 4.742 -0.238 -3.370 7 HA SER 2 HA SER 2 6.972 -0.146 -1.695 8 HB2 SER 2 2HB SER 2 6.399 0.443 -4.407 9 HB3 SER 2 3HB SER 2 7.216 1.855 -3.738 10 HG SER 2 HG SER 2 8.150 -0.818 -3.531 11 HA PRO 3 HA PRO 3 6.465 3.484 0.730 12 HB2 PRO 3 2HB PRO 3 9.066 4.154 1.130 13 HB3 PRO 3 3HB PRO 3 8.296 2.774 1.923 14 HG2 PRO 3 2HG PRO 3 10.058 2.827 -0.496 15 HG3 PRO 3 3HG PRO 3 10.070 1.699 0.872 16 HD2 PRO 3 2HD PRO 3 8.929 1.091 -1.507 17 HD3 PRO 3 3HD PRO 3 8.310 0.469 0.036 18 H CYS 4 H CYS 4 8.810 3.731 -1.934 19 HA CYS 4 HA CYS 4 8.083 6.567 -2.235 20 HB2 CYS 4 2HB CYS 4 10.573 5.017 -2.834 21 HB3 CYS 4 3HB CYS 4 10.221 6.470 -3.764 22 H ASP 5 H ASP 5 6.321 4.607 -3.182 23 HA ASP 5 HA ASP 5 6.704 4.006 -5.923 24 HB2 ASP 5 2HB ASP 5 5.135 2.719 -4.606 25 HB3 ASP 5 3HB ASP 5 4.184 4.160 -4.258 26 H LYS 6 H LYS 6 5.441 6.776 -4.230 27 HA LYS 6 HA LYS 6 4.021 7.996 -6.318 28 HB2 LYS 6 2HB LYS 6 4.402 10.109 -5.049 29 HB3 LYS 6 3HB LYS 6 3.770 8.796 -4.065 30 HG2 LYS 6 2HG LYS 6 6.400 8.431 -3.671 31 HG3 LYS 6 3HG LYS 6 6.370 10.175 -3.946 32 HD2 LYS 6 2HD LYS 6 4.615 8.729 -1.963 33 HD3 LYS 6 3HD LYS 6 6.135 9.528 -1.553 34 HE2 LYS 6 2HE LYS 6 4.652 11.407 -3.007 35 HE3 LYS 6 3HE LYS 6 3.508 10.654 -1.897 36 HZ1 LYS 6 1HZ LYS 6 5.061 11.137 -0.079 37 HZ2 LYS 6 2HZ LYS 6 4.534 12.544 -0.855 38 HZ3 LYS 6 3HZ LYS 6 6.083 11.938 -1.163 39 H GLN 7 H GLN 7 7.437 7.878 -5.582 40 HA GLN 7 HA GLN 7 8.251 9.986 -7.291 41 HB2 GLN 7 2HB GLN 7 9.596 7.736 -5.884 42 HB3 GLN 7 3HB GLN 7 10.463 8.498 -7.210 43 HG2 GLN 7 2HG GLN 7 11.119 9.527 -5.154 44 HG3 GLN 7 3HG GLN 7 10.177 10.681 -6.097 45 HE21 GLN 7 1HE2 GLN 7 9.129 7.983 -4.067 46 HE22 GLN 7 2HE2 GLN 7 8.189 8.938 -2.977 47 H LYS 8 H LYS 8 7.547 6.608 -7.801 48 HA LYS 8 HA LYS 8 8.795 6.350 -10.335 49 HB2 LYS 8 2HB LYS 8 8.362 4.292 -9.395 50 HB3 LYS 8 3HB LYS 8 6.794 4.786 -8.772 51 HG2 LYS 8 2HG LYS 8 7.092 4.650 -11.712 52 HG3 LYS 8 3HG LYS 8 7.068 3.123 -10.826 53 HD2 LYS 8 2HD LYS 8 4.877 3.287 -10.398 54 HD3 LYS 8 3HD LYS 8 5.006 4.990 -9.949 55 HE2 LYS 8 2HE LYS 8 5.157 5.505 -12.412 56 HE3 LYS 8 3HE LYS 8 4.732 3.821 -12.711 57 HZ1 LYS 8 1HZ LYS 8 2.604 4.231 -12.284 58 HZ2 LYS 8 2HZ LYS 8 2.981 5.878 -12.359 59 HZ3 LYS 8 3HZ LYS 8 2.951 5.085 -10.865 60 H ASN 9 H ASN 9 5.518 7.205 -9.316 61 HA ASN 9 HA ASN 9 4.461 7.341 -11.960 62 HB2 ASN 9 2HB ASN 9 3.174 7.048 -9.753 63 HB3 ASN 9 3HB ASN 9 3.330 8.793 -9.575 64 HD21 ASN 9 1HD2 ASN 9 0.908 8.374 -9.586 65 HD22 ASN 9 2HD2 ASN 9 0.122 8.500 -11.120 66 H TYR 10 H TYR 10 5.823 9.693 -9.711 67 HA TYR 10 HA TYR 10 5.192 12.016 -11.165 68 HB2 TYR 10 2HB TYR 10 5.865 12.472 -8.998 69 HB3 TYR 10 3HB TYR 10 7.202 11.329 -9.059 70 HD1 TYR 10 HD1 TYR 10 9.370 12.098 -9.420 71 HD2 TYR 10 HD2 TYR 10 6.087 14.599 -10.454 72 HE1 TYR 10 HE1 TYR 10 10.930 13.940 -9.893 73 HE2 TYR 10 HE2 TYR 10 7.637 16.447 -10.932 74 HH TYR 10 HH TYR 10 10.087 16.671 -11.593 75 H ILE 11 H ILE 11 7.971 9.840 -11.288 76 HA ILE 11 HA ILE 11 9.345 11.432 -13.259 77 HB ILE 11 HB ILE 11 9.906 8.627 -12.289 78 HG12 ILE 11 2HG1 ILE 11 10.070 10.455 -10.577 79 HG13 ILE 11 3HG1 ILE 11 11.585 9.611 -10.878 80 HG21 ILE 11 1HG2 ILE 11 11.121 8.585 -14.192 81 HG22 ILE 11 2HG2 ILE 11 11.170 10.342 -14.328 82 HG23 ILE 11 3HG2 ILE 11 12.264 9.512 -13.221 83 HD11 ILE 11 1HD1 ILE 11 10.996 12.112 -12.379 84 HD12 ILE 11 2HD1 ILE 11 11.521 12.208 -10.697 85 HD13 ILE 11 3HD1 ILE 11 12.546 11.422 -11.898 86 H ASP 12 H ASP 12 7.518 8.398 -13.221 87 HA ASP 12 HA ASP 12 7.911 7.733 -15.931 88 HB2 ASP 12 2HB ASP 12 7.072 6.167 -14.176 89 HB3 ASP 12 3HB ASP 12 5.535 7.028 -14.198 90 H LYS 13 H LYS 13 5.639 9.843 -14.319 91 HA LYS 13 HA LYS 13 4.000 10.197 -16.674 92 HB2 LYS 13 2HB LYS 13 2.606 11.528 -15.346 93 HB3 LYS 13 3HB LYS 13 3.221 10.321 -14.224 94 HG2 LYS 13 2HG LYS 13 4.848 11.911 -13.373 95 HG3 LYS 13 3HG LYS 13 4.287 13.122 -14.529 96 HD2 LYS 13 2HD LYS 13 3.314 13.526 -12.339 97 HD3 LYS 13 3HD LYS 13 2.060 13.060 -13.491 98 HE2 LYS 13 2HE LYS 13 2.125 10.771 -12.623 99 HE3 LYS 13 3HE LYS 13 3.375 11.241 -11.473 100 HZ1 LYS 13 1HZ LYS 13 0.662 12.441 -11.561 101 HZ2 LYS 13 2HZ LYS 13 1.849 12.697 -10.384 102 HZ3 LYS 13 3HZ LYS 13 1.108 11.182 -10.523 103 H GLN 14 H GLN 14 6.713 11.749 -15.161 104 HA GLN 14 HA GLN 14 6.457 14.123 -16.831 105 HB2 GLN 14 2HB GLN 14 8.316 13.340 -14.598 106 HB3 GLN 14 3HB GLN 14 8.632 14.745 -15.608 107 HG2 GLN 14 2HG GLN 14 6.103 14.325 -14.034 108 HG3 GLN 14 3HG GLN 14 7.488 15.258 -13.469 109 HE21 GLN 14 1HE2 GLN 14 4.855 15.117 -15.738 110 HE22 GLN 14 2HE2 GLN 14 4.909 16.777 -16.211 111 H LEU 15 H LEU 15 7.808 11.066 -17.040 112 HA LEU 15 HA LEU 15 9.918 11.947 -18.883 113 HB2 LEU 15 2HB LEU 15 10.527 10.430 -17.008 114 HB3 LEU 15 3HB LEU 15 9.466 9.209 -17.709 115 HG LEU 15 HG LEU 15 11.484 10.217 -19.571 116 HD11 LEU 15 1HD1 LEU 15 13.009 8.442 -18.114 117 HD12 LEU 15 2HD1 LEU 15 12.281 9.471 -16.881 118 HD13 LEU 15 3HD1 LEU 15 13.225 10.191 -18.185 119 HD21 LEU 15 1HD2 LEU 15 10.514 8.337 -20.382 120 HD22 LEU 15 2HD2 LEU 15 10.196 7.674 -18.779 121 HD23 LEU 15 3HD2 LEU 15 11.814 7.567 -19.473 122 H LEU 16 H LEU 16 6.777 10.817 -18.867 123 HA LEU 16 HA LEU 16 6.867 9.126 -21.172 124 HB2 LEU 16 2HB LEU 16 4.736 8.696 -20.682 125 HB3 LEU 16 3HB LEU 16 5.036 9.614 -19.207 126 HG LEU 16 HG LEU 16 4.277 11.646 -20.678 127 HD11 LEU 16 1HD1 LEU 16 3.981 9.588 -22.525 128 HD12 LEU 16 2HD1 LEU 16 3.354 11.231 -22.654 129 HD13 LEU 16 3HD1 LEU 16 2.342 9.951 -21.984 130 HD21 LEU 16 1HD2 LEU 16 2.800 9.654 -19.106 131 HD22 LEU 16 2HD2 LEU 16 1.803 10.669 -20.150 132 HD23 LEU 16 3HD2 LEU 16 2.863 11.410 -18.949 133 HA PRO 17 HA PRO 17 5.411 13.355 -23.139 134 HB2 PRO 17 2HB PRO 17 6.692 15.502 -22.082 135 HB3 PRO 17 3HB PRO 17 5.127 14.931 -21.492 136 HG2 PRO 17 2HG PRO 17 7.862 14.449 -20.375 137 HG3 PRO 17 3HG PRO 17 6.359 14.843 -19.522 138 HD2 PRO 17 2HD PRO 17 7.332 12.321 -19.669 139 HD3 PRO 17 3HD PRO 17 5.592 12.671 -19.607 140 H ILE 18 H ILE 18 8.699 13.079 -21.827 141 HA ILE 18 HA ILE 18 9.890 14.145 -24.232 142 HB ILE 18 HB ILE 18 12.046 13.611 -23.144 143 HG12 ILE 18 2HG1 ILE 18 10.442 12.777 -20.731 144 HG13 ILE 18 3HG1 ILE 18 11.048 11.606 -21.898 145 HG21 ILE 18 1HG2 ILE 18 11.898 15.596 -22.159 146 HG22 ILE 18 2HG2 ILE 18 10.154 15.534 -22.410 147 HG23 ILE 18 3HG2 ILE 18 10.848 14.949 -20.898 148 HD11 ILE 18 1HD1 ILE 18 12.835 11.529 -20.568 149 HD12 ILE 18 2HD1 ILE 18 13.288 13.046 -21.345 150 HD13 ILE 18 3HD1 ILE 18 12.447 13.066 -19.795 151 H VAL 19 H VAL 19 8.989 11.058 -23.011 152 HA VAL 19 HA VAL 19 10.783 9.554 -24.702 153 HB VAL 19 HB VAL 19 9.700 8.851 -22.415 154 HG11 VAL 19 1HG1 VAL 19 7.383 9.123 -23.213 155 HG12 VAL 19 2HG1 VAL 19 7.652 7.824 -24.376 156 HG13 VAL 19 3HG1 VAL 19 7.715 7.487 -22.645 157 HG21 VAL 19 1HG2 VAL 19 10.193 6.590 -22.903 158 HG22 VAL 19 2HG2 VAL 19 9.822 6.801 -24.615 159 HG23 VAL 19 3HG2 VAL 19 11.261 7.552 -23.925 160 H ASN 20 H ASN 20 7.330 10.352 -24.656 161 HA ASN 20 HA ASN 20 6.821 8.937 -27.116 162 HB2 ASN 20 2HB ASN 20 4.872 8.903 -25.942 163 HB3 ASN 20 3HB ASN 20 5.219 10.421 -25.120 164 HD21 ASN 20 1HD2 ASN 20 4.463 12.308 -25.946 165 HD22 ASN 20 2HD2 ASN 20 3.420 12.402 -27.321 166 H LYS 21 H LYS 21 8.146 11.909 -26.338 167 HA LYS 21 HA LYS 21 7.073 13.576 -28.348 168 HB2 LYS 21 2HB LYS 21 8.246 14.615 -26.563 169 HB3 LYS 21 3HB LYS 21 9.674 13.623 -26.826 170 HG2 LYS 21 2HG LYS 21 10.499 15.019 -28.354 171 HG3 LYS 21 3HG LYS 21 8.937 15.208 -29.156 172 HD2 LYS 21 2HD LYS 21 9.497 17.348 -28.333 173 HD3 LYS 21 3HD LYS 21 8.285 16.712 -27.218 174 HE2 LYS 21 2HE LYS 21 9.868 17.557 -25.768 175 HE3 LYS 21 3HE LYS 21 10.351 15.866 -25.882 176 HZ1 LYS 21 1HZ LYS 21 12.325 16.513 -26.602 177 HZ2 LYS 21 2HZ LYS 21 11.865 18.136 -26.482 178 HZ3 LYS 21 3HZ LYS 21 11.623 17.294 -27.929 179 H ALA 22 H ALA 22 9.973 11.527 -28.268 180 HA ALA 22 HA ALA 22 10.568 12.111 -31.045 181 HB1 ALA 22 1HB ALA 22 12.174 11.545 -28.971 182 HB2 ALA 22 2HB ALA 22 12.010 9.934 -29.671 183 HB3 ALA 22 3HB ALA 22 12.625 11.263 -30.653 184 H GLY 23 H GLY 23 9.294 9.445 -29.118 185 HA2 GLY 23 2HA GLY 23 7.652 8.335 -30.982 186 HA3 GLY 23 3HA GLY 23 9.215 7.617 -31.342 187 H CYS 24 H CYS 24 10.242 6.320 -29.723 188 HA CYS 24 HA CYS 24 9.355 5.680 -27.221 189 HB2 CYS 24 2HB CYS 24 7.511 4.725 -29.220 190 HB3 CYS 24 3HB CYS 24 8.225 3.364 -28.361 191 H SER 25 H SER 25 11.533 5.303 -26.945 192 HA SER 25 HA SER 25 12.956 3.391 -28.547 193 HB2 SER 25 2HB SER 25 13.900 4.446 -25.889 194 HB3 SER 25 3HB SER 25 14.861 3.966 -27.288 195 HG SER 25 HG SER 25 13.783 5.798 -28.374 196 H ARG 26 H ARG 26 14.484 2.006 -26.727 197 HA ARG 26 HA ARG 26 12.681 -0.102 -25.993 198 HB2 ARG 26 2HB ARG 26 14.764 -1.222 -25.169 199 HB3 ARG 26 3HB ARG 26 14.826 -0.726 -26.855 200 HG2 ARG 26 2HG ARG 26 15.836 1.323 -25.068 201 HG3 ARG 26 3HG ARG 26 16.716 -0.200 -24.923 202 HD2 ARG 26 2HD ARG 26 16.135 0.647 -27.676 203 HD3 ARG 26 3HD ARG 26 17.225 1.710 -26.786 204 HE ARG 26 HE ARG 26 18.038 -0.965 -26.453 205 HH11 ARG 26 1HH1 ARG 26 17.918 1.543 -28.864 206 HH12 ARG 26 2HH1 ARG 26 19.293 0.950 -29.737 207 HH21 ARG 26 1HH2 ARG 26 19.849 -1.755 -27.593 208 HH22 ARG 26 2HH2 ARG 26 20.390 -0.926 -29.013 209 HA PRO 27 HA PRO 27 11.926 0.886 -21.783 210 HB2 PRO 27 2HB PRO 27 11.746 -1.596 -20.696 211 HB3 PRO 27 3HB PRO 27 10.498 -0.914 -21.746 212 HG2 PRO 27 2HG PRO 27 12.693 -2.836 -22.415 213 HG3 PRO 27 3HG PRO 27 10.993 -2.862 -22.917 214 HD2 PRO 27 2HD PRO 27 12.975 -1.968 -24.531 215 HD3 PRO 27 3HD PRO 27 11.330 -1.302 -24.580 216 H GLU 28 H GLU 28 14.594 -1.261 -22.551 217 HA GLU 28 HA GLU 28 15.781 -1.375 -20.003 218 HB2 GLU 28 2HB GLU 28 16.413 -2.910 -21.785 219 HB3 GLU 28 3HB GLU 28 17.044 -1.577 -22.741 220 HG2 GLU 28 2HG GLU 28 18.769 -1.175 -21.080 221 HG3 GLU 28 3HG GLU 28 18.122 -2.472 -20.078 222 H GLU 29 H GLU 29 16.188 0.881 -22.697 223 HA GLU 29 HA GLU 29 18.216 2.405 -21.341 224 HB2 GLU 29 2HB GLU 29 16.604 3.104 -23.801 225 HB3 GLU 29 3HB GLU 29 18.053 3.929 -23.247 226 HG2 GLU 29 2HG GLU 29 18.036 1.016 -23.960 227 HG3 GLU 29 3HG GLU 29 18.324 2.285 -25.149 228 H VAL 30 H VAL 30 14.749 2.538 -21.713 229 HA VAL 30 HA VAL 30 14.301 5.196 -20.934 230 HB VAL 30 HB VAL 30 12.572 2.742 -20.632 231 HG11 VAL 30 1HG1 VAL 30 11.467 3.981 -19.106 232 HG12 VAL 30 2HG1 VAL 30 12.183 5.496 -19.660 233 HG13 VAL 30 3HG1 VAL 30 10.821 4.792 -20.532 234 HG21 VAL 30 1HG2 VAL 30 13.271 4.282 -22.851 235 HG22 VAL 30 2HG2 VAL 30 11.973 3.093 -22.746 236 HG23 VAL 30 3HG2 VAL 30 11.637 4.795 -22.427 237 H GLU 31 H GLU 31 14.745 2.249 -19.052 238 HA GLU 31 HA GLU 31 13.984 3.220 -16.544 239 HB2 GLU 31 2HB GLU 31 14.959 1.310 -15.643 240 HB3 GLU 31 3HB GLU 31 14.594 0.816 -17.291 241 HG2 GLU 31 2HG GLU 31 16.719 0.030 -17.094 242 HG3 GLU 31 3HG GLU 31 17.042 1.636 -17.743 243 H GLU 32 H GLU 32 16.979 3.550 -18.334 244 HA GLU 32 HA GLU 32 18.547 4.547 -16.188 245 HB2 GLU 32 2HB GLU 32 19.168 3.664 -18.633 246 HB3 GLU 32 3HB GLU 32 19.149 5.388 -18.975 247 HG2 GLU 32 2HG GLU 32 20.772 5.741 -17.160 248 HG3 GLU 32 3HG GLU 32 20.826 3.999 -16.898 249 H ARG 33 H ARG 33 16.531 6.067 -18.649 250 HA ARG 33 HA ARG 33 17.272 8.732 -18.187 251 HB2 ARG 33 2HB ARG 33 14.634 7.598 -19.133 252 HB3 ARG 33 3HB ARG 33 15.078 9.298 -19.211 253 HG2 ARG 33 2HG ARG 33 16.710 8.917 -20.840 254 HG3 ARG 33 3HG ARG 33 16.743 7.181 -20.525 255 HD2 ARG 33 2HD ARG 33 15.547 7.355 -22.516 256 HD3 ARG 33 3HD ARG 33 14.290 7.205 -21.289 257 HE ARG 33 HE ARG 33 13.599 9.335 -21.779 258 HH11 ARG 33 1HH1 ARG 33 16.734 8.786 -23.190 259 HH12 ARG 33 2HH1 ARG 33 16.727 10.260 -24.100 260 HH21 ARG 33 1HH2 ARG 33 13.578 11.279 -22.972 261 HH22 ARG 33 2HH2 ARG 33 14.932 11.678 -23.974 262 H ILE 34 H ILE 34 15.029 6.615 -16.530 263 HA ILE 34 HA ILE 34 13.602 8.527 -15.061 264 HB ILE 34 HB ILE 34 14.327 5.734 -14.171 265 HG12 ILE 34 2HG1 ILE 34 11.980 6.734 -15.798 266 HG13 ILE 34 3HG1 ILE 34 13.275 5.689 -16.371 267 HG21 ILE 34 1HG2 ILE 34 13.087 7.747 -12.756 268 HG22 ILE 34 2HG2 ILE 34 11.741 6.799 -13.385 269 HG23 ILE 34 3HG2 ILE 34 12.987 6.020 -12.411 270 HD11 ILE 34 1HD1 ILE 34 12.136 4.461 -14.096 271 HD12 ILE 34 2HD1 ILE 34 10.820 4.973 -15.153 272 HD13 ILE 34 3HD1 ILE 34 12.094 3.925 -15.776 273 H ARG 35 H ARG 35 16.611 6.806 -14.312 274 HA ARG 35 HA ARG 35 16.977 7.772 -11.715 275 HB2 ARG 35 2HB ARG 35 18.713 6.589 -13.807 276 HB3 ARG 35 3HB ARG 35 19.527 7.487 -12.533 277 HG2 ARG 35 2HG ARG 35 17.499 5.577 -11.606 278 HG3 ARG 35 3HG ARG 35 18.905 4.864 -12.398 279 HD2 ARG 35 2HD ARG 35 19.730 6.936 -10.589 280 HD3 ARG 35 3HD ARG 35 18.698 5.777 -9.751 281 HE ARG 35 HE ARG 35 20.673 4.462 -11.315 282 HH11 ARG 35 1HH1 ARG 35 20.193 6.191 -8.332 283 HH12 ARG 35 2HH1 ARG 35 21.507 5.410 -7.516 284 HH21 ARG 35 1HH2 ARG 35 22.406 3.427 -10.252 285 HH22 ARG 35 2HH2 ARG 35 22.765 3.839 -8.609 286 H ARG 36 H ARG 36 17.751 9.187 -14.838 287 HA ARG 36 HA ARG 36 19.393 11.282 -13.954 288 HB2 ARG 36 2HB ARG 36 19.278 10.737 -16.297 289 HB3 ARG 36 3HB ARG 36 17.555 11.084 -16.342 290 HG2 ARG 36 2HG ARG 36 18.721 12.900 -17.359 291 HG3 ARG 36 3HG ARG 36 18.077 13.454 -15.813 292 HD2 ARG 36 2HD ARG 36 20.355 12.891 -14.837 293 HD3 ARG 36 3HD ARG 36 20.914 12.739 -16.503 294 HE ARG 36 HE ARG 36 20.402 15.160 -15.078 295 HH11 ARG 36 1HH1 ARG 36 20.385 13.698 -18.237 296 HH12 ARG 36 2HH1 ARG 36 20.622 15.196 -19.075 297 HH21 ARG 36 1HH2 ARG 36 20.714 17.138 -16.169 298 HH22 ARG 36 2HH2 ARG 36 20.810 17.152 -17.898 299 H ALA 37 H ALA 37 15.882 11.169 -14.491 300 HA ALA 37 HA ALA 37 15.362 13.843 -13.777 301 HB1 ALA 37 1HB ALA 37 13.678 11.373 -13.937 302 HB2 ALA 37 2HB ALA 37 13.011 12.877 -13.300 303 HB3 ALA 37 3HB ALA 37 13.641 12.819 -14.946 304 H LEU 38 H LEU 38 15.703 10.914 -11.882 305 HA LEU 38 HA LEU 38 14.583 11.833 -9.475 306 HB2 LEU 38 2HB LEU 38 14.909 9.637 -9.211 307 HB3 LEU 38 3HB LEU 38 16.248 9.606 -10.357 308 HG LEU 38 HG LEU 38 17.674 10.556 -8.471 309 HD11 LEU 38 1HD1 LEU 38 15.139 10.523 -7.174 310 HD12 LEU 38 2HD1 LEU 38 16.691 11.092 -6.561 311 HD13 LEU 38 3HD1 LEU 38 16.221 9.406 -6.341 312 HD21 LEU 38 1HD2 LEU 38 17.505 8.162 -7.288 313 HD22 LEU 38 2HD2 LEU 38 18.262 8.406 -8.862 314 HD23 LEU 38 3HD2 LEU 38 16.601 7.817 -8.763 315 H LYS 39 H LYS 39 17.665 12.399 -10.973 316 HA LYS 39 HA LYS 39 19.212 13.164 -8.795 317 HB2 LYS 39 2HB LYS 39 20.118 12.903 -11.055 318 HB3 LYS 39 3HB LYS 39 19.213 14.311 -11.593 319 HG2 LYS 39 2HG LYS 39 20.764 15.072 -9.342 320 HG3 LYS 39 3HG LYS 39 21.807 14.199 -10.467 321 HD2 LYS 39 2HD LYS 39 21.849 16.550 -11.005 322 HD3 LYS 39 3HD LYS 39 21.006 15.678 -12.288 323 HE2 LYS 39 2HE LYS 39 18.856 16.317 -11.281 324 HE3 LYS 39 3HE LYS 39 19.718 17.218 -10.034 325 HZ1 LYS 39 1HZ LYS 39 18.867 18.215 -12.413 326 HZ2 LYS 39 2HZ LYS 39 20.514 17.948 -12.689 327 HZ3 LYS 39 3HZ LYS 39 20.020 18.929 -11.403 328 H LYS 40 H LYS 40 16.558 14.780 -10.318 329 HA LYS 40 HA LYS 40 17.049 17.427 -9.564 330 HB2 LYS 40 2HB LYS 40 15.290 16.935 -11.121 331 HB3 LYS 40 3HB LYS 40 14.459 15.923 -9.948 332 HG2 LYS 40 2HG LYS 40 13.928 17.847 -8.597 333 HG3 LYS 40 3HG LYS 40 14.870 18.892 -9.663 334 HD2 LYS 40 2HD LYS 40 13.200 17.767 -11.455 335 HD3 LYS 40 3HD LYS 40 12.173 17.747 -10.020 336 HE2 LYS 40 2HE LYS 40 13.565 20.157 -11.184 337 HE3 LYS 40 3HE LYS 40 11.844 19.793 -11.301 338 HZ1 LYS 40 1HZ LYS 40 12.218 21.381 -9.559 339 HZ2 LYS 40 2HZ LYS 40 13.356 20.376 -8.814 340 HZ3 LYS 40 3HZ LYS 40 11.728 19.918 -8.863 341 H MET 41 H MET 41 16.194 14.689 -7.679 342 HA MET 41 HA MET 41 15.362 16.363 -5.422 343 HB2 MET 41 2HB MET 41 15.400 13.358 -5.417 344 HB3 MET 41 3HB MET 41 14.414 14.447 -4.451 345 HG2 MET 41 2HG MET 41 13.656 15.068 -7.009 346 HG3 MET 41 3HG MET 41 13.934 13.330 -7.095 347 HE1 MET 41 1HE MET 41 10.271 14.100 -7.132 348 HE2 MET 41 2HE MET 41 10.563 15.575 -6.211 349 HE3 MET 41 3HE MET 41 11.605 15.165 -7.575 350 H GLY 42 H GLY 42 18.003 14.496 -6.605 351 HA2 GLY 42 2HA GLY 42 20.140 14.244 -5.790 352 HA3 GLY 42 3HA GLY 42 19.727 15.398 -4.530 353 H ASP 43 H ASP 43 17.429 13.064 -4.382 354 HA ASP 43 HA ASP 43 18.950 11.549 -2.362 355 HB2 ASP 43 2HB ASP 43 16.305 12.802 -2.308 356 HB3 ASP 43 3HB ASP 43 16.288 11.124 -1.772 357 H THR 44 H THR 44 19.648 10.067 -3.999 358 HA THR 44 HA THR 44 17.612 8.460 -5.319 359 HB THR 44 HB THR 44 19.330 7.505 -6.618 360 HG1 THR 44 HG1 THR 44 20.954 8.232 -4.448 361 HG21 THR 44 1HG2 THR 44 20.721 10.084 -6.331 362 HG22 THR 44 2HG2 THR 44 18.980 10.195 -6.584 363 HG23 THR 44 3HG2 THR 44 19.989 9.343 -7.753 364 H SER 45 H SER 45 18.456 8.468 -2.311 365 HA SER 45 HA SER 45 19.436 5.838 -1.816 366 HB2 SER 45 2HB SER 45 17.957 6.923 0.417 367 HB3 SER 45 3HB SER 45 19.690 6.635 0.264 368 HG SER 45 HG SER 45 19.862 8.659 -0.772 369 H CYS 46 H CYS 46 16.223 7.329 -1.744 370 HA CYS 46 HA CYS 46 14.978 4.771 -1.130 371 HB2 CYS 46 2HB CYS 46 14.211 6.943 -0.102 372 HB3 CYS 46 3HB CYS 46 13.622 7.412 -1.693 373 H PHE 47 H PHE 47 15.644 6.790 -3.847 374 HA PHE 47 HA PHE 47 13.630 5.722 -5.574 375 HB2 PHE 47 2HB PHE 47 15.005 7.957 -5.743 376 HB3 PHE 47 3HB PHE 47 16.154 6.949 -6.616 377 HD1 PHE 47 HD1 PHE 47 13.223 8.915 -6.859 378 HD2 PHE 47 HD2 PHE 47 15.218 5.578 -8.592 379 HE1 PHE 47 HE1 PHE 47 11.897 9.193 -8.912 380 HE2 PHE 47 HE2 PHE 47 13.895 5.852 -10.649 381 HZ PHE 47 HZ PHE 47 12.233 7.661 -10.811 382 H ASP 48 H ASP 48 16.929 4.895 -4.773 383 HA ASP 48 HA ASP 48 17.610 3.258 -6.904 384 HB2 ASP 48 2HB ASP 48 19.275 3.794 -5.279 385 HB3 ASP 48 3HB ASP 48 18.327 3.080 -3.978 386 H GLU 49 H GLU 49 15.573 2.594 -4.122 387 HA GLU 49 HA GLU 49 15.355 -0.216 -4.647 388 HB2 GLU 49 2HB GLU 49 13.853 1.675 -2.844 389 HB3 GLU 49 3HB GLU 49 13.417 -0.021 -2.993 390 HG2 GLU 49 2HG GLU 49 15.579 -0.698 -2.179 391 HG3 GLU 49 3HG GLU 49 16.127 0.977 -2.150 392 H ILE 50 H ILE 50 13.290 2.613 -5.197 393 HA ILE 50 HA ILE 50 11.149 1.158 -6.366 394 HB ILE 50 HB ILE 50 10.137 3.196 -6.815 395 HG12 ILE 50 2HG1 ILE 50 11.822 5.311 -6.721 396 HG13 ILE 50 3HG1 ILE 50 12.904 4.087 -7.377 397 HG21 ILE 50 1HG2 ILE 50 11.866 4.389 -4.751 398 HG22 ILE 50 2HG2 ILE 50 10.119 4.157 -4.775 399 HG23 ILE 50 3HG2 ILE 50 11.181 2.811 -4.361 400 HD11 ILE 50 1HD1 ILE 50 10.408 3.971 -8.752 401 HD12 ILE 50 2HD1 ILE 50 11.002 5.631 -8.743 402 HD13 ILE 50 3HD1 ILE 50 12.014 4.336 -9.381 403 H LEU 51 H LEU 51 14.121 2.489 -7.593 404 HA LEU 51 HA LEU 51 13.550 2.696 -10.304 405 HB2 LEU 51 2HB LEU 51 15.753 3.047 -10.560 406 HB3 LEU 51 3HB LEU 51 15.739 3.102 -8.798 407 HG LEU 51 HG LEU 51 16.253 0.559 -8.974 408 HD11 LEU 51 1HD1 LEU 51 17.754 1.117 -11.415 409 HD12 LEU 51 2HD1 LEU 51 16.007 1.061 -11.651 410 HD13 LEU 51 3HD1 LEU 51 16.846 -0.319 -10.941 411 HD21 LEU 51 1HD2 LEU 51 17.846 2.909 -8.832 412 HD22 LEU 51 2HD2 LEU 51 18.719 1.702 -9.777 413 HD23 LEU 51 3HD2 LEU 51 18.166 1.315 -8.147 414 H LYS 52 H LYS 52 14.211 -0.122 -8.342 415 HA LYS 52 HA LYS 52 14.632 -1.933 -10.497 416 HB2 LYS 52 2HB LYS 52 14.505 -2.048 -7.605 417 HB3 LYS 52 3HB LYS 52 13.657 -3.409 -8.328 418 HG2 LYS 52 2HG LYS 52 15.861 -4.137 -7.995 419 HG3 LYS 52 3HG LYS 52 15.737 -3.788 -9.721 420 HD2 LYS 52 2HD LYS 52 17.124 -1.984 -9.596 421 HD3 LYS 52 3HD LYS 52 16.639 -1.589 -7.945 422 HE2 LYS 52 2HE LYS 52 18.169 -4.098 -8.453 423 HE3 LYS 52 3HE LYS 52 19.025 -2.558 -8.455 424 HZ1 LYS 52 1HZ LYS 52 18.312 -2.134 -6.235 425 HZ2 LYS 52 2HZ LYS 52 18.982 -3.687 -6.269 426 HZ3 LYS 52 3HZ LYS 52 17.302 -3.491 -6.227 427 H GLY 53 H GLY 53 11.813 -1.129 -8.491 428 HA2 GLY 53 2HA GLY 53 10.092 -2.965 -9.885 429 HA3 GLY 53 3HA GLY 53 9.599 -1.772 -8.693 430 H LEU 54 H LEU 54 11.226 0.170 -10.536 431 HA LEU 54 HA LEU 54 8.913 1.108 -11.955 432 HB2 LEU 54 2HB LEU 54 11.242 2.247 -10.966 433 HB3 LEU 54 3HB LEU 54 11.419 2.354 -12.716 434 HG LEU 54 HG LEU 54 9.210 3.528 -11.033 435 HD11 LEU 54 1HD1 LEU 54 11.740 4.497 -11.886 436 HD12 LEU 54 2HD1 LEU 54 10.481 5.341 -10.986 437 HD13 LEU 54 3HD1 LEU 54 10.485 5.385 -12.749 438 HD21 LEU 54 1HD2 LEU 54 8.624 4.547 -13.352 439 HD22 LEU 54 2HD2 LEU 54 8.054 2.929 -12.939 440 HD23 LEU 54 3HD2 LEU 54 9.462 3.130 -13.984 441 H LYS 55 H LYS 55 9.742 -1.471 -12.802 442 HA LYS 55 HA LYS 55 10.927 -1.024 -15.441 443 HB2 LYS 55 2HB LYS 55 10.748 -3.617 -15.481 444 HB3 LYS 55 3HB LYS 55 11.977 -2.858 -14.479 445 HG2 LYS 55 2HG LYS 55 10.855 -4.692 -13.321 446 HG3 LYS 55 3HG LYS 55 10.589 -3.146 -12.511 447 HD2 LYS 55 2HD LYS 55 8.368 -3.070 -13.094 448 HD3 LYS 55 3HD LYS 55 8.601 -4.068 -14.531 449 HE2 LYS 55 2HE LYS 55 9.211 -5.905 -12.751 450 HE3 LYS 55 3HE LYS 55 8.258 -4.877 -11.682 451 HZ1 LYS 55 1HZ LYS 55 7.371 -6.220 -14.170 452 HZ2 LYS 55 2HZ LYS 55 6.468 -5.006 -13.415 453 HZ3 LYS 55 3HZ LYS 55 6.787 -6.453 -12.599 454 H GLU 56 H GLU 56 8.155 -0.239 -14.652 455 HA GLU 56 HA GLU 56 6.656 -1.892 -16.574 456 HB2 GLU 56 2HB GLU 56 5.675 -0.232 -14.248 457 HB3 GLU 56 3HB GLU 56 4.616 -0.984 -15.433 458 HG2 GLU 56 2HG GLU 56 4.749 -2.969 -14.445 459 HG3 GLU 56 3HG GLU 56 6.501 -2.867 -14.289 460 H ILE 57 H ILE 57 8.103 -0.264 -17.937 461 HA ILE 57 HA ILE 57 7.000 2.375 -18.225 462 HB ILE 57 HB ILE 57 9.330 2.112 -18.710 463 HG12 ILE 57 2HG1 ILE 57 9.454 3.049 -20.969 464 HG13 ILE 57 3HG1 ILE 57 7.824 2.480 -21.309 465 HG21 ILE 57 1HG2 ILE 57 9.480 0.661 -21.090 466 HG22 ILE 57 2HG2 ILE 57 10.062 0.169 -19.500 467 HG23 ILE 57 3HG2 ILE 57 8.442 -0.289 -20.027 468 HD11 ILE 57 1HD1 ILE 57 7.900 4.119 -18.934 469 HD12 ILE 57 2HD1 ILE 57 8.547 4.964 -20.341 470 HD13 ILE 57 3HD1 ILE 57 6.922 4.282 -20.392 471 H LYS 58 H LYS 58 5.311 2.949 -19.415 472 HA LYS 58 HA LYS 58 4.467 1.188 -21.619 473 HB2 LYS 58 2HB LYS 58 2.657 2.614 -19.660 474 HB3 LYS 58 3HB LYS 58 2.120 1.685 -21.053 475 HG2 LYS 58 2HG LYS 58 2.641 -0.332 -20.083 476 HG3 LYS 58 3HG LYS 58 3.845 0.377 -19.003 477 HD2 LYS 58 2HD LYS 58 1.787 1.611 -17.979 478 HD3 LYS 58 3HD LYS 58 0.866 0.319 -18.751 479 HE2 LYS 58 2HE LYS 58 2.412 -1.304 -17.586 480 HE3 LYS 58 3HE LYS 58 3.020 0.069 -16.663 481 HZ1 LYS 58 1HZ LYS 58 1.224 0.072 -15.370 482 HZ2 LYS 58 2HZ LYS 58 0.890 -1.467 -15.988 483 HZ3 LYS 58 3HZ LYS 58 0.156 -0.104 -16.670 484 H CYS 59 H CYS 59 6.104 3.217 -22.210 485 HA CYS 59 HA CYS 59 5.159 5.760 -22.606 486 HB2 CYS 59 2HB CYS 59 6.809 6.018 -24.295 487 HB3 CYS 59 3HB CYS 59 7.464 4.847 -23.155 488 H GLY 60 H GLY 60 4.251 2.847 -24.273 489 HA2 GLY 60 2HA GLY 60 1.888 3.189 -25.204 490 HA3 GLY 60 3HA GLY 60 2.660 4.422 -26.190 491 H GLY 61 H GLY 61 4.394 3.708 -27.653 492 HA2 GLY 61 2HA GLY 61 3.610 1.709 -29.373 493 HA3 GLY 61 3HA GLY 61 5.259 2.305 -29.256 494 H SER 62 H SER 62 3.497 -0.420 -29.222 495 HA SER 62 HA SER 62 4.782 -1.816 -27.054 496 HB2 SER 62 2HB SER 62 2.513 -2.248 -28.655 497 HB3 SER 62 3HB SER 62 3.615 -3.572 -29.030 498 HG SER 62 HG SER 62 2.502 -4.247 -27.275 499 H TRP 63 H TRP 63 6.866 -2.312 -27.176 500 HA TRP 63 HA TRP 63 7.893 -3.392 -29.718 501 HB2 TRP 63 2HB TRP 63 10.144 -2.417 -28.556 502 HB3 TRP 63 3HB TRP 63 9.179 -1.528 -29.732 503 HD1 TRP 63 HD1 TRP 63 8.759 0.870 -28.984 504 HE1 TRP 63 HE1 TRP 63 8.438 2.085 -26.737 505 HE3 TRP 63 HE3 TRP 63 9.174 -3.132 -25.830 506 HZ2 TRP 63 HZ2 TRP 63 8.370 1.433 -23.992 507 HZ3 TRP 63 HZ3 TRP 63 8.969 -2.751 -23.408 508 HH2 TRP 63 HH2 TRP 63 8.576 -0.515 -22.510 509 H LEU 64 H LEU 64 10.255 -4.376 -29.080 510 HA LEU 64 HA LEU 64 9.670 -6.328 -26.957 511 HB2 LEU 64 2HB LEU 64 10.152 -6.850 -29.547 512 HB3 LEU 64 3HB LEU 64 11.802 -6.878 -28.928 513 HG LEU 64 HG LEU 64 10.834 -8.537 -27.172 514 HD11 LEU 64 1HD1 LEU 64 9.040 -9.940 -28.412 515 HD12 LEU 64 2HD1 LEU 64 8.697 -8.432 -29.258 516 HD13 LEU 64 3HD1 LEU 64 8.549 -8.511 -27.503 517 HD21 LEU 64 1HD2 LEU 64 11.433 -10.376 -28.574 518 HD22 LEU 64 2HD2 LEU 64 12.478 -9.017 -28.991 519 HD23 LEU 64 3HD2 LEU 64 11.118 -9.437 -30.033 520 H GLU 65 H GLU 65 11.069 -6.620 -25.306 521 HA GLU 65 HA GLU 65 13.213 -4.687 -25.025 522 HB2 GLU 65 2HB GLU 65 12.709 -6.774 -22.962 523 HB3 GLU 65 3HB GLU 65 13.115 -5.075 -22.763 524 HG2 GLU 65 2HG GLU 65 10.746 -4.656 -23.724 525 HG3 GLU 65 3HG GLU 65 10.458 -6.335 -23.273 526 H HIS 66 H HIS 66 15.322 -5.092 -25.253 527 HA HIS 66 HA HIS 66 17.190 -6.199 -25.983 528 HB2 HIS 66 2HB HIS 66 18.040 -7.695 -24.403 529 HB3 HIS 66 3HB HIS 66 16.886 -6.746 -23.469 530 HD1 HIS 66 HD1 HIS 66 14.987 -7.986 -22.377 531 HD2 HIS 66 HD2 HIS 66 17.120 -10.344 -25.052 532 HE1 HIS 66 HE1 HIS 66 14.126 -10.325 -22.046
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