NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617767 | 5utv | 30247 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H2 SER 1 2H SER 1 6.136 -10.962 16.842 2 H3 SER 1 3H SER 1 4.831 -10.025 17.168 3 HA SER 1 HA SER 1 6.503 -9.995 14.759 4 HB2 SER 1 2HB SER 1 4.277 -10.471 13.666 5 HB3 SER 1 3HB SER 1 4.809 -11.739 14.761 6 HG SER 1 HG SER 1 2.620 -10.129 14.947 7 H HIS 2 H HIS 2 5.922 -8.448 13.141 8 HA HIS 2 HA HIS 2 4.013 -6.450 13.206 9 HB2 HIS 2 2HB HIS 2 5.607 -4.391 13.692 10 HB3 HIS 2 3HB HIS 2 4.623 -5.147 14.917 11 HD1 HIS 2 1HD HIS 2 5.780 -6.167 16.976 12 HD2 HIS 2 2HD HIS 2 8.395 -5.042 13.871 13 HE1 HIS 2 1HE HIS 2 8.159 -6.356 17.918 14 H MET 3 H MET 3 7.470 -5.863 12.517 15 HA MET 3 HA MET 3 7.232 -5.582 9.588 16 HB2 MET 3 2HB MET 3 9.651 -5.588 9.674 17 HB3 MET 3 3HB MET 3 9.034 -4.565 10.967 18 HG2 MET 3 2HG MET 3 9.449 -6.446 12.605 19 HG3 MET 3 3HG MET 3 10.141 -7.390 11.296 20 HE1 MET 3 1HE MET 3 11.964 -5.658 9.608 21 HE2 MET 3 2HE MET 3 13.490 -5.768 10.502 22 HE3 MET 3 3HE MET 3 12.439 -7.194 10.355 23 H THR 4 H THR 4 5.842 -7.898 10.394 24 HA THR 4 HA THR 4 7.404 -10.162 9.367 25 HB THR 4 HB THR 4 4.858 -10.377 10.885 26 HG1 THR 4 1HG THR 4 7.378 -10.187 12.113 27 HG21 THR 4 1HG2 THR 4 5.860 -12.492 11.676 28 HG22 THR 4 2HG2 THR 4 7.305 -12.159 10.681 29 HG23 THR 4 3HG2 THR 4 5.708 -12.409 9.911 30 H ALA 5 H ALA 5 3.974 -9.409 9.475 31 HA ALA 5 HA ALA 5 3.425 -10.693 6.974 32 HB1 ALA 5 1HB ALA 5 1.826 -8.674 8.648 33 HB2 ALA 5 2HB ALA 5 1.166 -9.869 7.460 34 HB3 ALA 5 3HB ALA 5 1.911 -10.447 8.986 35 H VAL 6 H VAL 6 3.483 -7.377 8.041 36 HA VAL 6 HA VAL 6 2.848 -5.863 5.789 37 HB VAL 6 HB VAL 6 4.526 -5.383 8.253 38 HG11 VAL 6 1HG1 VAL 6 4.252 -2.954 7.810 39 HG12 VAL 6 2HG1 VAL 6 5.243 -3.723 6.581 40 HG13 VAL 6 3HG1 VAL 6 3.546 -3.334 6.223 41 HG21 VAL 6 1HG2 VAL 6 2.126 -5.811 8.658 42 HG22 VAL 6 2HG2 VAL 6 2.531 -4.133 9.028 43 HG23 VAL 6 3HG2 VAL 6 1.686 -4.519 7.514 44 H GLN 7 H GLN 7 5.945 -7.085 6.931 45 HA GLN 7 HA GLN 7 7.656 -5.772 5.124 46 HB2 GLN 7 2HB GLN 7 8.245 -6.725 7.316 47 HB3 GLN 7 3HB GLN 7 7.818 -8.351 6.776 48 HG2 GLN 7 2HG GLN 7 10.152 -8.336 6.835 49 HG3 GLN 7 3HG GLN 7 9.797 -8.136 5.114 50 HE21 GLN 7 1HE2 GLN 7 9.465 -5.705 4.481 51 HE22 GLN 7 2HE2 GLN 7 10.461 -4.565 5.267 52 H ASP 8 H ASP 8 7.000 -9.113 5.276 53 HA ASP 8 HA ASP 8 7.739 -10.201 2.817 54 HB2 ASP 8 2HB ASP 8 7.129 -11.539 4.740 55 HB3 ASP 8 3HB ASP 8 5.496 -10.895 4.767 56 H PHE 9 H PHE 9 4.528 -8.744 3.631 57 HA PHE 9 HA PHE 9 3.411 -9.061 1.000 58 HB2 PHE 9 2HB PHE 9 1.998 -8.384 2.993 59 HB3 PHE 9 3HB PHE 9 2.973 -6.930 3.125 60 HD1 PHE 9 1HD PHE 9 0.864 -8.713 0.568 61 HD2 PHE 9 2HD PHE 9 2.544 -4.993 1.906 62 HE1 PHE 9 1HE PHE 9 -0.172 -7.501 -1.368 63 HE2 PHE 9 2HE PHE 9 1.538 -3.849 -0.038 64 HZ PHE 9 HZ PHE 9 0.088 -5.079 -1.613 65 H VAL 10 H VAL 10 5.061 -6.242 2.517 66 HA VAL 10 HA VAL 10 4.874 -4.569 0.291 67 HB VAL 10 HB VAL 10 6.865 -4.606 2.560 68 HG11 VAL 10 1HG1 VAL 10 6.788 -2.481 0.378 69 HG12 VAL 10 2HG1 VAL 10 7.611 -2.319 1.943 70 HG13 VAL 10 3HG1 VAL 10 8.165 -3.535 0.787 71 HG21 VAL 10 1HG2 VAL 10 4.861 -2.438 1.877 72 HG22 VAL 10 2HG2 VAL 10 4.333 -3.893 2.720 73 HG23 VAL 10 3HG2 VAL 10 5.577 -2.858 3.444 74 H VAL 11 H VAL 11 7.670 -6.725 0.998 75 HA VAL 11 HA VAL 11 8.994 -6.013 -1.437 76 HB VAL 11 HB VAL 11 10.051 -8.554 -0.917 77 HG11 VAL 11 1HG1 VAL 11 10.962 -5.751 -0.065 78 HG12 VAL 11 2HG1 VAL 11 11.997 -7.206 -0.158 79 HG13 VAL 11 3HG1 VAL 11 11.276 -6.535 -1.634 80 HG21 VAL 11 1HG2 VAL 11 9.676 -6.909 1.599 81 HG22 VAL 11 2HG2 VAL 11 8.890 -8.499 1.292 82 HG23 VAL 11 3HG2 VAL 11 10.664 -8.391 1.450 83 H ASP 12 H ASP 12 6.318 -8.103 -1.160 84 HA ASP 12 HA ASP 12 6.688 -9.625 -3.536 85 HB2 ASP 12 2HB ASP 12 4.899 -9.642 -1.546 86 HB3 ASP 12 3HB ASP 12 3.997 -8.648 -2.710 87 H ILE 13 H ILE 13 5.698 -6.331 -2.975 88 HA ILE 13 HA ILE 13 5.269 -5.456 -5.868 89 HB ILE 13 HB ILE 13 5.293 -3.962 -3.286 90 HG12 ILE 13 2HG1 ILE 13 2.941 -3.542 -3.795 91 HG13 ILE 13 3HG1 ILE 13 2.994 -4.669 -5.155 92 HG21 ILE 13 1HG2 ILE 13 4.859 -3.202 -6.219 93 HG22 ILE 13 2HG2 ILE 13 4.524 -2.138 -4.852 94 HG23 ILE 13 3HG2 ILE 13 6.166 -2.634 -5.169 95 HD11 ILE 13 1HD1 ILE 13 1.872 -5.484 -3.074 96 HD12 ILE 13 2HD1 ILE 13 3.151 -6.549 -3.643 97 HD13 ILE 13 3HD1 ILE 13 3.447 -5.462 -2.247 98 H LEU 14 H LEU 14 7.612 -4.994 -3.061 99 HA LEU 14 HA LEU 14 8.906 -3.012 -4.447 100 HB2 LEU 14 2HB LEU 14 8.983 -4.056 -1.816 101 HB3 LEU 14 3HB LEU 14 10.559 -4.395 -2.390 102 HG LEU 14 HG LEU 14 9.223 -1.674 -2.174 103 HD11 LEU 14 1HD1 LEU 14 11.102 -1.168 -0.669 104 HD12 LEU 14 2HD1 LEU 14 11.783 -2.788 -0.940 105 HD13 LEU 14 3HD1 LEU 14 10.225 -2.602 -0.107 106 HD21 LEU 14 1HD2 LEU 14 11.807 -2.410 -3.597 107 HD22 LEU 14 2HD2 LEU 14 11.424 -0.754 -3.060 108 HD23 LEU 14 3HD2 LEU 14 10.394 -1.554 -4.254 109 H LEU 15 H LEU 15 10.160 -6.302 -3.935 110 HA LEU 15 HA LEU 15 12.215 -5.783 -6.017 111 HB2 LEU 15 2HB LEU 15 11.981 -7.734 -3.713 112 HB3 LEU 15 3HB LEU 15 12.855 -8.266 -5.120 113 HG LEU 15 HG LEU 15 14.327 -7.359 -3.353 114 HD11 LEU 15 1HD1 LEU 15 14.428 -5.923 -6.036 115 HD12 LEU 15 2HD1 LEU 15 15.044 -7.548 -5.685 116 HD13 LEU 15 3HD1 LEU 15 15.788 -6.137 -4.915 117 HD21 LEU 15 1HD2 LEU 15 13.297 -4.602 -4.140 118 HD22 LEU 15 2HD2 LEU 15 14.630 -4.968 -3.029 119 HD23 LEU 15 3HD2 LEU 15 12.973 -5.407 -2.592 120 H ASN 16 H ASN 16 9.718 -8.123 -5.029 121 HA ASN 16 HA ASN 16 10.092 -9.765 -7.317 122 HB2 ASN 16 2HB ASN 16 7.778 -9.642 -5.368 123 HB3 ASN 16 3HB ASN 16 8.046 -10.936 -6.530 124 HD21 ASN 16 1HD2 ASN 16 9.117 -9.596 -3.401 125 HD22 ASN 16 2HD2 ASN 16 10.332 -10.846 -3.140 126 H GLY 17 H GLY 17 8.257 -6.834 -6.868 127 HA2 GLY 17 2HA GLY 17 7.138 -5.539 -8.365 128 HA3 GLY 17 3HA GLY 17 7.339 -6.743 -9.619 129 H ALA 18 H ALA 18 5.107 -5.068 -8.778 130 HA ALA 18 HA ALA 18 3.101 -6.705 -7.521 131 HB1 ALA 18 1HB ALA 18 3.254 -4.203 -7.407 132 HB2 ALA 18 2HB ALA 18 2.855 -4.117 -9.135 133 HB3 ALA 18 3HB ALA 18 1.669 -4.737 -7.965 134 H ARG 19 H ARG 19 0.926 -6.626 -8.574 135 HA ARG 19 HA ARG 19 0.249 -7.563 -11.285 136 HB2 ARG 19 2HB ARG 19 -1.028 -6.663 -8.803 137 HB3 ARG 19 3HB ARG 19 -1.621 -5.748 -10.137 138 HG2 ARG 19 2HG ARG 19 -3.026 -7.573 -9.866 139 HG3 ARG 19 3HG ARG 19 -2.154 -7.895 -11.347 140 HD2 ARG 19 2HD ARG 19 -1.060 -9.032 -8.775 141 HD3 ARG 19 3HD ARG 19 -2.545 -9.715 -9.372 142 HE ARG 19 HE ARG 19 -1.445 -10.287 -11.500 143 HH11 ARG 19 1HH1 ARG 19 2.096 -10.501 -9.646 144 HH12 ARG 19 2HH1 ARG 19 0.808 -9.688 -8.805 145 HH21 ARG 19 1HH2 ARG 19 1.676 -11.816 -11.390 146 HH22 ARG 19 2HH2 ARG 19 0.130 -11.732 -12.203 147 H ASP 20 H ASP 20 -1.217 -5.790 -12.246 148 HA ASP 20 HA ASP 20 0.128 -4.300 -14.044 149 HB2 ASP 20 2HB ASP 20 -2.613 -4.180 -12.671 150 HB3 ASP 20 3HB ASP 20 -2.183 -3.208 -14.060 151 H TRP 21 H TRP 21 0.396 -3.408 -10.807 152 HA TRP 21 HA TRP 21 0.225 -0.552 -11.131 153 HB2 TRP 21 2HB TRP 21 1.340 -2.133 -8.745 154 HB3 TRP 21 3HB TRP 21 0.928 -0.458 -8.832 155 HD1 TRP 21 1HD TRP 21 -1.486 -3.332 -9.971 156 HE1 TRP 21 1HE TRP 21 -3.725 -2.941 -8.885 157 HE3 TRP 21 3HE TRP 21 -0.173 0.531 -6.936 158 HZ2 TRP 21 2HZ TRP 21 -4.923 -0.928 -7.189 159 HZ3 TRP 21 3HZ TRP 21 -1.977 1.806 -5.683 160 HH2 TRP 21 2HH TRP 21 -4.262 0.987 -5.713 161 H ASP 22 H ASP 22 1.932 0.834 -10.734 162 HA ASP 22 HA ASP 22 4.562 0.115 -11.944 163 HB2 ASP 22 2HB ASP 22 3.372 2.270 -12.621 164 HB3 ASP 22 3HB ASP 22 3.587 2.831 -10.958 165 H VAL 23 H VAL 23 6.424 0.956 -10.406 166 HA VAL 23 HA VAL 23 5.813 -0.115 -7.711 167 HB VAL 23 HB VAL 23 8.252 -0.931 -9.369 168 HG11 VAL 23 1HG1 VAL 23 8.939 -0.424 -7.057 169 HG12 VAL 23 2HG1 VAL 23 7.625 -1.415 -6.413 170 HG13 VAL 23 3HG1 VAL 23 8.958 -2.166 -7.302 171 HG21 VAL 23 1HG2 VAL 23 6.314 -2.345 -9.877 172 HG22 VAL 23 2HG2 VAL 23 7.504 -3.252 -8.947 173 HG23 VAL 23 3HG2 VAL 23 6.043 -2.642 -8.148 174 H LEU 24 H LEU 24 5.822 1.604 -6.782 175 HA LEU 24 HA LEU 24 7.878 3.669 -7.531 176 HB2 LEU 24 2HB LEU 24 5.086 3.991 -7.599 177 HB3 LEU 24 3HB LEU 24 5.618 4.772 -6.288 178 HG LEU 24 HG LEU 24 6.943 5.101 -9.029 179 HD11 LEU 24 1HD1 LEU 24 5.884 7.273 -9.014 180 HD12 LEU 24 2HD1 LEU 24 5.156 6.890 -7.429 181 HD13 LEU 24 3HD1 LEU 24 4.715 5.940 -8.875 182 HD21 LEU 24 1HD2 LEU 24 7.990 7.190 -7.971 183 HD22 LEU 24 2HD2 LEU 24 8.684 5.672 -7.439 184 HD23 LEU 24 3HD2 LEU 24 7.534 6.541 -6.398 185 H GLN 25 H GLN 25 9.055 4.401 -6.056 186 HA GLN 25 HA GLN 25 8.277 3.803 -3.258 187 HB2 GLN 25 2HB GLN 25 11.145 4.248 -4.252 188 HB3 GLN 25 3HB GLN 25 10.644 3.896 -2.597 189 HG2 GLN 25 2HG GLN 25 10.323 2.090 -5.030 190 HG3 GLN 25 3HG GLN 25 11.540 1.875 -3.789 191 HE21 GLN 25 1HE2 GLN 25 8.488 0.800 -4.829 192 HE22 GLN 25 2HE2 GLN 25 8.000 0.136 -3.321 193 H THR 26 H THR 26 6.942 5.498 -3.394 194 HA THR 26 HA THR 26 8.399 7.930 -2.584 195 HB THR 26 HB THR 26 7.633 8.406 -4.761 196 HG1 THR 26 1HG THR 26 6.359 10.221 -4.232 197 HG21 THR 26 1HG2 THR 26 4.724 8.001 -4.023 198 HG22 THR 26 2HG2 THR 26 5.667 6.833 -5.016 199 HG23 THR 26 3HG2 THR 26 5.408 8.483 -5.575 200 H THR 27 H THR 27 6.465 9.368 -1.332 201 HA THR 27 HA THR 27 5.120 7.523 0.551 202 HB THR 27 HB THR 27 5.669 8.757 2.511 203 HG1 THR 27 1HG THR 27 7.351 10.177 2.550 204 HG21 THR 27 1HG2 THR 27 7.092 6.745 1.944 205 HG22 THR 27 2HG2 THR 27 7.911 7.932 2.945 206 HG23 THR 27 3HG2 THR 27 8.274 7.810 1.176 207 H CYS 28 H CYS 28 3.262 8.447 1.108 208 HA CYS 28 HA CYS 28 2.279 10.790 -0.495 209 HB2 CYS 28 2HB CYS 28 1.204 8.966 -1.239 210 HB3 CYS 28 3HB CYS 28 1.294 8.072 0.250 211 HG CYS 28 HG CYS 28 -0.755 10.524 -0.825 212 H THR 29 H THR 29 0.671 12.017 0.455 213 HA THR 29 HA THR 29 0.730 12.017 3.408 214 HB THR 29 HB THR 29 0.649 14.632 1.753 215 HG1 THR 29 1HG THR 29 2.819 14.922 2.218 216 HG21 THR 29 1HG2 THR 29 1.405 15.681 3.920 217 HG22 THR 29 2HG2 THR 29 1.201 14.099 4.717 218 HG23 THR 29 3HG2 THR 29 -0.194 14.925 4.011 219 H VAL 30 H VAL 30 -0.983 11.765 4.235 220 HA VAL 30 HA VAL 30 -3.504 13.115 3.437 221 HB VAL 30 HB VAL 30 -3.369 10.082 3.155 222 HG11 VAL 30 1HG1 VAL 30 -5.777 11.934 3.156 223 HG12 VAL 30 2HG1 VAL 30 -5.816 10.288 2.523 224 HG13 VAL 30 3HG1 VAL 30 -5.481 10.551 4.236 225 HG21 VAL 30 1HG2 VAL 30 -4.094 12.272 1.163 226 HG22 VAL 30 2HG2 VAL 30 -2.695 11.175 1.068 227 HG23 VAL 30 3HG2 VAL 30 -4.330 10.539 0.874 228 H ASP 31 H ASP 31 -5.198 12.928 5.068 229 HA ASP 31 HA ASP 31 -6.032 12.777 7.183 230 HB2 ASP 31 2HB ASP 31 -4.654 10.252 6.700 231 HB3 ASP 31 3HB ASP 31 -4.396 10.658 8.342 232 H ARG 32 H ARG 32 -3.379 14.167 6.630 233 HA ARG 32 HA ARG 32 -1.916 15.585 7.715 234 HB2 ARG 32 2HB ARG 32 -3.154 14.865 10.391 235 HB3 ARG 32 3HB ARG 32 -2.140 16.227 10.043 236 HG2 ARG 32 2HG ARG 32 -3.794 17.377 8.824 237 HG3 ARG 32 3HG ARG 32 -4.817 15.959 8.611 238 HD2 ARG 32 2HD ARG 32 -4.317 17.354 11.274 239 HD3 ARG 32 3HD ARG 32 -5.781 17.470 10.290 240 HE ARG 32 HE ARG 32 -4.974 15.255 11.997 241 HH11 ARG 32 1HH1 ARG 32 -7.976 14.476 9.478 242 HH12 ARG 32 2HH1 ARG 32 -7.190 16.027 9.323 243 HH21 ARG 32 1HH2 ARG 32 -7.143 12.921 10.925 244 HH22 ARG 32 2HH2 ARG 32 -5.901 13.381 12.051 245 H LYS 33 H LYS 33 -1.607 12.694 7.275 246 HA LYS 33 HA LYS 33 0.707 12.034 8.986 247 HB2 LYS 33 2HB LYS 33 -1.294 10.759 9.785 248 HB3 LYS 33 3HB LYS 33 -1.486 10.084 8.166 249 HG2 LYS 33 2HG LYS 33 0.452 8.838 8.247 250 HG3 LYS 33 3HG LYS 33 1.166 9.848 9.529 251 HD2 LYS 33 2HD LYS 33 0.645 8.180 10.961 252 HD3 LYS 33 3HD LYS 33 -1.019 8.768 10.838 253 HE2 LYS 33 2HE LYS 33 -1.176 7.327 8.728 254 HE3 LYS 33 3HE LYS 33 0.317 6.546 9.231 255 HZ1 LYS 33 1HZ LYS 33 -1.467 5.280 9.943 256 HZ2 LYS 33 2HZ LYS 33 -2.231 6.573 10.689 257 HZ3 LYS 33 3HZ LYS 33 -0.825 5.967 11.309 258 H VAL 34 H VAL 34 2.137 10.479 7.797 259 HA VAL 34 HA VAL 34 1.785 10.624 4.866 260 HB VAL 34 HB VAL 34 4.179 11.072 6.515 261 HG11 VAL 34 1HG1 VAL 34 4.328 10.530 3.511 262 HG12 VAL 34 2HG1 VAL 34 5.676 11.061 4.525 263 HG13 VAL 34 3HG1 VAL 34 4.977 9.468 4.778 264 HG21 VAL 34 1HG2 VAL 34 2.983 13.075 5.996 265 HG22 VAL 34 2HG2 VAL 34 4.514 13.090 5.124 266 HG23 VAL 34 3HG2 VAL 34 3.024 12.666 4.269 267 H TYR 35 H TYR 35 1.961 8.821 3.857 268 HA TYR 35 HA TYR 35 2.460 6.242 5.325 269 HB2 TYR 35 2HB TYR 35 0.716 6.813 2.883 270 HB3 TYR 35 3HB TYR 35 0.906 5.254 3.746 271 HD1 TYR 35 1HD TYR 35 0.012 4.892 5.830 272 HD2 TYR 35 2HD TYR 35 -0.592 8.619 3.820 273 HE1 TYR 35 1HE TYR 35 -1.913 5.460 7.440 274 HE2 TYR 35 2HE TYR 35 -2.385 9.221 5.437 275 HH TYR 35 HH TYR 35 -3.534 8.619 7.368 276 H LYS 36 H LYS 36 3.667 4.644 4.119 277 HA LYS 36 HA LYS 36 5.234 5.875 1.948 278 HB2 LYS 36 2HB LYS 36 5.748 3.276 3.242 279 HB3 LYS 36 3HB LYS 36 6.879 4.320 2.502 280 HG2 LYS 36 2HG LYS 36 7.204 5.675 4.312 281 HG3 LYS 36 3HG LYS 36 5.642 5.351 5.040 282 HD2 LYS 36 2HD LYS 36 7.834 3.272 4.942 283 HD3 LYS 36 3HD LYS 36 7.544 4.351 6.310 284 HE2 LYS 36 2HE LYS 36 5.266 3.472 6.605 285 HE3 LYS 36 3HE LYS 36 5.421 2.482 5.151 286 HZ1 LYS 36 1HZ LYS 36 5.790 1.074 6.978 287 HZ2 LYS 36 2HZ LYS 36 6.880 2.030 7.712 288 HZ3 LYS 36 3HZ LYS 36 7.246 1.292 6.290 289 H THR 37 H THR 37 4.961 5.341 -0.124 290 HA THR 37 HA THR 37 2.978 3.251 -0.697 291 HB THR 37 HB THR 37 2.356 5.231 -1.873 292 HG1 THR 37 1HG THR 37 1.905 3.243 -2.704 293 HG21 THR 37 1HG2 THR 37 4.159 6.485 -2.465 294 HG22 THR 37 2HG2 THR 37 3.800 5.692 -4.014 295 HG23 THR 37 3HG2 THR 37 5.132 5.108 -3.004 296 H ILE 38 H ILE 38 3.345 1.730 -2.153 297 HA ILE 38 HA ILE 38 6.176 0.977 -2.603 298 HB ILE 38 HB ILE 38 3.963 -1.014 -3.093 299 HG12 ILE 38 2HG1 ILE 38 4.675 -0.199 -0.191 300 HG13 ILE 38 3HG1 ILE 38 3.094 -0.024 -0.962 301 HG21 ILE 38 1HG2 ILE 38 5.870 -2.418 -2.005 302 HG22 ILE 38 2HG2 ILE 38 6.493 -1.365 -3.290 303 HG23 ILE 38 3HG2 ILE 38 6.698 -0.924 -1.592 304 HD11 ILE 38 1HD1 ILE 38 3.009 -1.981 0.402 305 HD12 ILE 38 2HD1 ILE 38 2.897 -2.450 -1.304 306 HD13 ILE 38 3HD1 ILE 38 4.411 -2.683 -0.410 307 H CYS 39 H CYS 39 3.064 1.571 -3.942 308 HA CYS 39 HA CYS 39 3.976 1.258 -6.673 309 HB2 CYS 39 2HB CYS 39 2.370 -0.797 -7.089 310 HB3 CYS 39 3HB CYS 39 3.681 -0.904 -6.618 311 HG CYS 39 HG CYS 39 0.862 -0.430 -4.853 312 H LYS 40 H LYS 40 2.787 2.107 -8.131 313 HA LYS 40 HA LYS 40 0.269 3.188 -7.310 314 HB2 LYS 40 2HB LYS 40 2.207 4.891 -7.400 315 HB3 LYS 40 3HB LYS 40 2.424 4.504 -9.093 316 HG2 LYS 40 2HG LYS 40 -0.076 5.217 -9.329 317 HG3 LYS 40 3HG LYS 40 0.247 5.910 -7.762 318 HD2 LYS 40 2HD LYS 40 0.624 7.667 -9.317 319 HD3 LYS 40 3HD LYS 40 2.264 7.065 -8.905 320 HE2 LYS 40 2HE LYS 40 2.279 5.813 -11.060 321 HE3 LYS 40 3HE LYS 40 0.640 6.407 -11.401 322 HZ1 LYS 40 1HZ LYS 40 3.007 8.170 -11.046 323 HZ2 LYS 40 2HZ LYS 40 1.498 8.663 -11.504 324 HZ3 LYS 40 3HZ LYS 40 2.403 7.740 -12.503 325 H ARG 41 H ARG 41 -1.419 3.105 -8.560 326 HA ARG 41 HA ARG 41 -1.113 2.333 -11.400 327 HB2 ARG 41 2HB ARG 41 -1.748 0.240 -10.213 328 HB3 ARG 41 3HB ARG 41 -3.217 1.053 -9.631 329 HG2 ARG 41 2HG ARG 41 -3.433 1.559 -12.282 330 HG3 ARG 41 3HG ARG 41 -2.399 0.192 -12.433 331 HD2 ARG 41 2HD ARG 41 -3.962 -1.052 -10.860 332 HD3 ARG 41 3HD ARG 41 -5.101 0.291 -10.961 333 HE ARG 41 HE ARG 41 -4.483 -0.726 -13.598 334 HH11 ARG 41 1HH1 ARG 41 -7.586 -2.462 -11.718 335 HH12 ARG 41 2HH1 ARG 41 -6.536 -1.551 -10.698 336 HH21 ARG 41 1HH2 ARG 41 -7.349 -2.701 -13.813 337 HH22 ARG 41 2HH2 ARG 41 -5.972 -2.065 -14.687 338 H GLY 42 H GLY 42 -1.911 3.903 -12.403 339 HA2 GLY 42 2HA GLY 42 -3.300 5.674 -13.007 340 HA3 GLY 42 3HA GLY 42 -4.589 4.887 -12.119 341 H ASN 43 H ASN 43 -5.432 6.139 -10.673 342 HA ASN 43 HA ASN 43 -3.883 8.387 -9.494 343 HB2 ASN 43 2HB ASN 43 -5.788 9.514 -9.101 344 HB3 ASN 43 3HB ASN 43 -6.184 8.712 -10.609 345 HD21 ASN 43 1HD2 ASN 43 -6.769 6.091 -9.014 346 HD22 ASN 43 2HD2 ASN 43 -8.319 6.496 -8.281 347 H THR 44 H THR 44 -4.034 5.289 -8.796 348 HA THR 44 HA THR 44 -4.331 5.744 -5.830 349 HB THR 44 HB THR 44 -6.131 4.488 -6.568 350 HG1 THR 44 1HG THR 44 -5.920 2.881 -5.037 351 HG21 THR 44 1HG2 THR 44 -4.225 2.505 -7.714 352 HG22 THR 44 2HG2 THR 44 -5.681 3.247 -8.423 353 HG23 THR 44 3HG2 THR 44 -5.861 2.040 -7.160 354 H TYR 45 H TYR 45 -3.055 4.367 -4.407 355 HA TYR 45 HA TYR 45 -0.265 4.165 -5.048 356 HB2 TYR 45 2HB TYR 45 -1.396 6.448 -3.329 357 HB3 TYR 45 3HB TYR 45 0.223 5.781 -3.179 358 HD1 TYR 45 1HD TYR 45 -2.027 7.145 -5.792 359 HD2 TYR 45 2HD TYR 45 1.957 6.664 -4.359 360 HE1 TYR 45 1HE TYR 45 -1.187 8.784 -7.526 361 HE2 TYR 45 2HE TYR 45 2.858 8.167 -6.093 362 HH TYR 45 HH TYR 45 2.299 9.700 -7.748 363 H LEU 46 H LEU 46 -0.159 2.354 -4.039 364 HA LEU 46 HA LEU 46 -1.869 1.709 -1.681 365 HB2 LEU 46 2HB LEU 46 -0.216 0.351 -3.832 366 HB3 LEU 46 3HB LEU 46 -0.129 -0.245 -2.284 367 HG LEU 46 HG LEU 46 -1.924 -0.923 -4.110 368 HD11 LEU 46 1HD1 LEU 46 -2.138 -1.365 -1.090 369 HD12 LEU 46 2HD1 LEU 46 -1.208 -2.396 -2.223 370 HD13 LEU 46 3HD1 LEU 46 -2.997 -2.367 -2.296 371 HD21 LEU 46 1HD2 LEU 46 -3.413 0.980 -3.600 372 HD22 LEU 46 2HD2 LEU 46 -3.653 0.258 -1.974 373 HD23 LEU 46 3HD2 LEU 46 -4.075 -0.682 -3.435 374 H CYS 47 H CYS 47 -1.072 1.984 0.331 375 HA CYS 47 HA CYS 47 1.876 2.236 0.692 376 HB2 CYS 47 2HB CYS 47 -0.187 4.069 2.039 377 HB3 CYS 47 3HB CYS 47 1.568 4.246 1.982 378 HG CYS 47 HG CYS 47 0.121 6.132 0.584 379 H PHE 48 H PHE 48 2.612 2.067 2.868 380 HA PHE 48 HA PHE 48 0.752 0.521 4.622 381 HB2 PHE 48 2HB PHE 48 2.310 -1.164 4.938 382 HB3 PHE 48 3HB PHE 48 2.307 -0.946 3.202 383 HD1 PHE 48 1HD PHE 48 4.298 -1.096 6.149 384 HD2 PHE 48 2HD PHE 48 4.162 0.522 2.179 385 HE1 PHE 48 1HE PHE 48 6.756 -1.255 6.021 386 HE2 PHE 48 2HE PHE 48 6.614 0.584 2.085 387 HZ PHE 48 HZ PHE 48 7.966 -0.416 3.987 388 H ASP 49 H ASP 49 1.274 0.405 6.803 389 HA ASP 49 HA ASP 49 3.278 2.466 7.754 390 HB2 ASP 49 2HB ASP 49 0.851 1.754 9.203 391 HB3 ASP 49 3HB ASP 49 1.901 2.856 9.775 392 H ASP 50 H ASP 50 2.724 1.689 10.482 393 HA ASP 50 HA ASP 50 4.427 -0.556 10.580 394 HB2 ASP 50 2HB ASP 50 2.950 0.997 12.842 395 HB3 ASP 50 3HB ASP 50 4.288 -0.247 13.187 396 H THR 51 H THR 51 1.266 -0.649 10.194 397 HA THR 51 HA THR 51 0.558 -2.744 12.180 398 HB THR 51 HB THR 51 -1.506 -0.794 11.339 399 HG1 THR 51 1HG THR 51 0.602 0.064 12.976 400 HG21 THR 51 1HG2 THR 51 -1.701 -2.413 13.257 401 HG22 THR 51 2HG2 THR 51 -1.991 -0.706 13.700 402 HG23 THR 51 3HG2 THR 51 -0.421 -1.491 14.096 403 H ASN 52 H ASN 52 0.232 -1.760 8.862 404 HA ASN 52 HA ASN 52 -1.263 -3.537 7.684 405 HB2 ASN 52 2HB ASN 52 -3.492 -2.514 7.574 406 HB3 ASN 52 3HB ASN 52 -3.217 -3.367 9.059 407 HD21 ASN 52 1HD2 ASN 52 -3.532 -0.188 7.511 408 HD22 ASN 52 2HD2 ASN 52 -3.799 0.702 9.011 409 H LEU 53 H LEU 53 -2.597 -2.525 5.905 410 HA LEU 53 HA LEU 53 -1.000 -0.344 4.653 411 HB2 LEU 53 2HB LEU 53 -2.356 -2.870 3.619 412 HB3 LEU 53 3HB LEU 53 -2.272 -1.481 2.570 413 HG LEU 53 HG LEU 53 0.211 -1.277 3.140 414 HD11 LEU 53 1HD1 LEU 53 -0.492 -3.942 4.302 415 HD12 LEU 53 2HD1 LEU 53 0.516 -2.691 5.076 416 HD13 LEU 53 3HD1 LEU 53 1.172 -3.636 3.725 417 HD21 LEU 53 1HD2 LEU 53 0.914 -2.755 1.589 418 HD22 LEU 53 2HD2 LEU 53 -0.708 -2.319 1.030 419 HD23 LEU 53 3HD2 LEU 53 -0.419 -3.893 1.874 420 H TYR 54 H TYR 54 -2.115 0.855 3.037 421 HA TYR 54 HA TYR 54 -4.955 1.352 3.477 422 HB2 TYR 54 2HB TYR 54 -3.031 3.672 3.380 423 HB3 TYR 54 3HB TYR 54 -4.711 3.657 3.774 424 HD1 TYR 54 1HD TYR 54 -1.473 2.219 5.075 425 HD2 TYR 54 2HD TYR 54 -5.327 3.776 5.964 426 HE1 TYR 54 1HE TYR 54 -1.051 1.814 7.544 427 HE2 TYR 54 2HE TYR 54 -4.840 3.825 8.371 428 HH TYR 54 HH TYR 54 -1.695 2.520 9.630 429 H ALA 55 H ALA 55 -5.962 1.930 1.438 430 HA ALA 55 HA ALA 55 -4.081 2.433 -0.870 431 HB1 ALA 55 1HB ALA 55 -6.131 2.358 -2.247 432 HB2 ALA 55 2HB ALA 55 -5.958 0.831 -1.349 433 HB3 ALA 55 3HB ALA 55 -7.116 2.059 -0.799 434 H ILE 56 H ILE 56 -3.577 4.435 -1.264 435 HA ILE 56 HA ILE 56 -5.516 6.556 -0.390 436 HB ILE 56 HB ILE 56 -2.595 6.772 -1.015 437 HG12 ILE 56 2HG1 ILE 56 -3.020 8.302 1.197 438 HG13 ILE 56 3HG1 ILE 56 -4.416 7.282 1.381 439 HG21 ILE 56 1HG2 ILE 56 -3.158 9.328 -0.795 440 HG22 ILE 56 2HG2 ILE 56 -3.726 8.577 -2.264 441 HG23 ILE 56 3HG2 ILE 56 -4.846 8.884 -0.917 442 HD11 ILE 56 1HD1 ILE 56 -1.491 6.475 1.326 443 HD12 ILE 56 2HD1 ILE 56 -2.590 6.435 2.704 444 HD13 ILE 56 3HD1 ILE 56 -2.825 5.284 1.379 445 H THR 57 H THR 57 -6.987 6.725 -1.830 446 HA THR 57 HA THR 57 -6.321 6.462 -4.739 447 HB THR 57 HB THR 57 -9.111 6.637 -3.523 448 HG1 THR 57 1HG THR 57 -7.749 4.731 -3.016 449 HG21 THR 57 1HG2 THR 57 -8.887 7.267 -5.931 450 HG22 THR 57 2HG2 THR 57 -9.757 5.728 -5.727 451 HG23 THR 57 3HG2 THR 57 -8.048 5.718 -6.232 452 H GLY 58 H GLY 58 -5.373 8.354 -5.154 453 HA2 GLY 58 2HA GLY 58 -5.049 10.603 -5.495 454 HA3 GLY 58 3HA GLY 58 -6.794 10.819 -5.210 455 H ASP 59 H ASP 59 -7.544 11.072 -3.142 456 HA ASP 59 HA ASP 59 -5.646 12.036 -1.028 457 HB2 ASP 59 2HB ASP 59 -7.968 13.376 -2.422 458 HB3 ASP 59 3HB ASP 59 -7.947 13.571 -0.693 459 H VAL 60 H VAL 60 -7.491 9.528 -1.617 460 HA VAL 60 HA VAL 60 -9.247 9.599 0.810 461 HB VAL 60 HB VAL 60 -9.484 7.923 -1.732 462 HG11 VAL 60 1HG1 VAL 60 -11.194 7.914 0.774 463 HG12 VAL 60 2HG1 VAL 60 -11.672 7.185 -0.778 464 HG13 VAL 60 3HG1 VAL 60 -10.280 6.541 0.092 465 HG21 VAL 60 1HG2 VAL 60 -11.245 10.172 -0.673 466 HG22 VAL 60 2HG2 VAL 60 -10.165 10.263 -2.087 467 HG23 VAL 60 3HG2 VAL 60 -11.567 9.184 -2.118 468 H VAL 61 H VAL 61 -7.926 8.888 2.340 469 HA VAL 61 HA VAL 61 -6.342 6.483 2.031 470 HB VAL 61 HB VAL 61 -5.718 8.272 3.522 471 HG11 VAL 61 1HG1 VAL 61 -6.652 8.502 5.780 472 HG12 VAL 61 2HG1 VAL 61 -7.944 8.782 4.582 473 HG13 VAL 61 3HG1 VAL 61 -7.837 7.232 5.457 474 HG21 VAL 61 1HG2 VAL 61 -4.879 6.803 5.371 475 HG22 VAL 61 2HG2 VAL 61 -6.047 5.583 4.939 476 HG23 VAL 61 3HG2 VAL 61 -4.748 6.007 3.790 477 H LEU 62 H LEU 62 -6.906 4.539 2.213 478 HA LEU 62 HA LEU 62 -9.390 3.704 3.601 479 HB2 LEU 62 2HB LEU 62 -9.953 3.865 1.406 480 HB3 LEU 62 3HB LEU 62 -8.496 3.267 0.769 481 HG LEU 62 HG LEU 62 -9.102 1.001 1.037 482 HD11 LEU 62 1HD1 LEU 62 -11.053 1.813 3.248 483 HD12 LEU 62 2HD1 LEU 62 -9.668 0.689 3.355 484 HD13 LEU 62 3HD1 LEU 62 -11.092 0.237 2.446 485 HD21 LEU 62 1HD2 LEU 62 -11.412 0.873 0.203 486 HD22 LEU 62 2HD2 LEU 62 -10.580 2.285 -0.499 487 HD23 LEU 62 3HD2 LEU 62 -11.734 2.510 0.846 488 H LYS 63 H LYS 63 -8.258 3.229 5.287 489 HA LYS 63 HA LYS 63 -6.147 1.390 5.611 490 HB2 LYS 63 2HB LYS 63 -6.873 1.099 7.912 491 HB3 LYS 63 3HB LYS 63 -6.806 2.796 7.456 492 HG2 LYS 63 2HG LYS 63 -9.143 3.065 7.429 493 HG3 LYS 63 3HG LYS 63 -9.468 1.341 7.423 494 HD2 LYS 63 2HD LYS 63 -8.327 2.893 9.780 495 HD3 LYS 63 3HD LYS 63 -9.984 2.305 9.576 496 HE2 LYS 63 2HE LYS 63 -8.757 -0.039 9.195 497 HE3 LYS 63 3HE LYS 63 -7.455 0.732 10.121 498 HZ1 LYS 63 1HZ LYS 63 -9.002 -0.492 11.534 499 HZ2 LYS 63 2HZ LYS 63 -10.266 0.368 10.957 500 HZ3 LYS 63 3HZ LYS 63 -9.140 1.127 11.891 501 H PHE 64 H PHE 64 -5.897 -0.593 5.293 502 HA PHE 64 HA PHE 64 -8.074 -2.548 4.769 503 HB2 PHE 64 2HB PHE 64 -5.128 -2.794 4.761 504 HB3 PHE 64 3HB PHE 64 -6.179 -4.062 4.511 505 HD1 PHE 64 1HD PHE 64 -8.143 -3.636 2.671 506 HD2 PHE 64 2HD PHE 64 -4.436 -1.477 2.861 507 HE1 PHE 64 1HE PHE 64 -8.331 -3.085 0.277 508 HE2 PHE 64 2HE PHE 64 -4.608 -0.933 0.451 509 HZ PHE 64 HZ PHE 64 -6.523 -1.782 -0.862 510 H ALA 65 H ALA 65 -8.685 -4.156 6.357 511 HA ALA 65 HA ALA 65 -7.685 -3.956 9.076 512 HB1 ALA 65 1HB ALA 65 -9.105 -6.334 7.850 513 HB2 ALA 65 2HB ALA 65 -9.084 -5.822 9.519 514 HB3 ALA 65 3HB ALA 65 -9.980 -4.834 8.330 515 H THR 66 H THR 66 -5.781 -5.104 6.498 516 HA THR 66 HA THR 66 -4.213 -6.886 8.107 517 HB THR 66 HB THR 66 -4.853 -8.107 5.551 518 HG1 THR 66 1HG THR 66 -6.727 -8.126 7.759 519 HG21 THR 66 1HG2 THR 66 -4.863 -9.291 8.350 520 HG22 THR 66 2HG2 THR 66 -3.534 -9.355 7.156 521 HG23 THR 66 3HG2 THR 66 -5.075 -10.181 6.822 522 H VAL 67 H VAL 67 -2.581 -7.674 6.659 523 HA VAL 67 HA VAL 67 -1.768 -5.631 4.738 524 HB VAL 67 HB VAL 67 -0.458 -8.310 4.977 525 HG11 VAL 67 1HG1 VAL 67 0.111 -6.168 3.636 526 HG12 VAL 67 2HG1 VAL 67 0.473 -5.463 5.258 527 HG13 VAL 67 3HG1 VAL 67 1.465 -6.811 4.688 528 HG21 VAL 67 1HG2 VAL 67 -0.525 -8.004 7.326 529 HG22 VAL 67 2HG2 VAL 67 1.067 -7.626 6.590 530 HG23 VAL 67 3HG2 VAL 67 0.008 -6.298 7.140 531 H SER 68 H SER 68 -2.642 -9.147 4.631 532 HA SER 68 HA SER 68 -2.357 -9.607 1.876 533 HB2 SER 68 2HB SER 68 -3.904 -11.498 2.268 534 HB3 SER 68 3HB SER 68 -2.678 -11.384 3.544 535 HG SER 68 HG SER 68 -4.822 -11.716 4.367 536 H LYS 69 H LYS 69 -4.809 -7.663 3.436 537 HA LYS 69 HA LYS 69 -6.903 -7.992 1.473 538 HB2 LYS 69 2HB LYS 69 -6.279 -5.486 3.019 539 HB3 LYS 69 3HB LYS 69 -7.834 -6.022 2.396 540 HG2 LYS 69 2HG LYS 69 -6.902 -8.006 4.262 541 HG3 LYS 69 3HG LYS 69 -6.487 -6.411 4.911 542 HD2 LYS 69 2HD LYS 69 -8.572 -6.695 5.815 543 HD3 LYS 69 3HD LYS 69 -8.898 -5.768 4.329 544 HE2 LYS 69 2HE LYS 69 -9.110 -8.159 3.215 545 HE3 LYS 69 3HE LYS 69 -8.875 -8.833 4.788 546 HZ1 LYS 69 1HZ LYS 69 -11.007 -8.031 5.529 547 HZ2 LYS 69 2HZ LYS 69 -11.283 -8.714 4.066 548 HZ3 LYS 69 3HZ LYS 69 -11.238 -7.085 4.207 549 H ALA 70 H ALA 70 -4.371 -5.553 1.885 550 HA ALA 70 HA ALA 70 -4.719 -4.114 -0.522 551 HB1 ALA 70 1HB ALA 70 -2.182 -4.843 0.992 552 HB2 ALA 70 2HB ALA 70 -2.374 -3.481 -0.120 553 HB3 ALA 70 3HB ALA 70 -3.295 -3.504 1.406 554 H ARG 71 H ARG 71 -3.319 -7.373 -0.102 555 HA ARG 71 HA ARG 71 -2.028 -7.393 -2.718 556 HB2 ARG 71 2HB ARG 71 -1.577 -8.975 -0.622 557 HB3 ARG 71 3HB ARG 71 -2.956 -9.873 -1.252 558 HG2 ARG 71 2HG ARG 71 -1.783 -10.703 -3.034 559 HG3 ARG 71 3HG ARG 71 -1.000 -9.172 -3.368 560 HD2 ARG 71 2HD ARG 71 0.684 -10.742 -2.875 561 HD3 ARG 71 3HD ARG 71 0.651 -9.557 -1.547 562 HE ARG 71 HE ARG 71 -0.932 -11.890 -0.919 563 HH11 ARG 71 1HH1 ARG 71 3.068 -12.113 -0.332 564 HH12 ARG 71 2HH1 ARG 71 2.478 -11.222 -1.700 565 HH21 ARG 71 1HH2 ARG 71 1.767 -13.339 0.861 566 HH22 ARG 71 2HH2 ARG 71 0.021 -13.309 0.697 567 H ALA 72 H ALA 72 -5.131 -8.564 -1.445 568 HA ALA 72 HA ALA 72 -6.047 -9.503 -4.060 569 HB1 ALA 72 1HB ALA 72 -8.095 -9.930 -2.775 570 HB2 ALA 72 2HB ALA 72 -6.663 -10.443 -1.849 571 HB3 ALA 72 3HB ALA 72 -7.496 -8.926 -1.420 572 H TYR 73 H TYR 73 -5.970 -6.395 -2.475 573 HA TYR 73 HA TYR 73 -7.947 -4.997 -4.113 574 HB2 TYR 73 2HB TYR 73 -7.202 -4.165 -1.938 575 HB3 TYR 73 3HB TYR 73 -5.603 -3.883 -2.611 576 HD1 TYR 73 1HD TYR 73 -8.873 -2.462 -2.136 577 HD2 TYR 73 2HD TYR 73 -5.421 -2.333 -4.701 578 HE1 TYR 73 1HE TYR 73 -9.463 -0.136 -2.813 579 HE2 TYR 73 2HE TYR 73 -6.098 -0.095 -5.476 580 HH TYR 73 HH TYR 73 -8.883 1.677 -4.225 581 H LEU 74 H LEU 74 -4.410 -5.555 -4.317 582 HA LEU 74 HA LEU 74 -3.968 -3.961 -6.521 583 HB2 LEU 74 2HB LEU 74 -2.635 -6.123 -4.979 584 HB3 LEU 74 3HB LEU 74 -2.218 -6.280 -6.614 585 HG LEU 74 HG LEU 74 -0.923 -4.340 -6.658 586 HD11 LEU 74 1HD1 LEU 74 -2.496 -3.273 -4.280 587 HD12 LEU 74 2HD1 LEU 74 -2.620 -2.665 -5.911 588 HD13 LEU 74 3HD1 LEU 74 -1.089 -2.485 -5.100 589 HD21 LEU 74 1HD2 LEU 74 -0.080 -5.864 -4.770 590 HD22 LEU 74 2HD2 LEU 74 -1.003 -4.790 -3.642 591 HD23 LEU 74 3HD2 LEU 74 0.339 -4.129 -4.584 592 H GLU 75 H GLU 75 -5.321 -7.115 -6.581 593 HA GLU 75 HA GLU 75 -5.278 -7.197 -9.543 594 HB2 GLU 75 2HB GLU 75 -6.451 -9.461 -9.100 595 HB3 GLU 75 3HB GLU 75 -4.725 -9.279 -8.877 596 HG2 GLU 75 2HG GLU 75 -5.083 -9.032 -6.412 597 HG3 GLU 75 3HG GLU 75 -6.794 -9.360 -6.638 598 H THR 76 H THR 76 -7.275 -5.901 -7.132 599 HA THR 76 HA THR 76 -9.685 -5.963 -8.833 600 HB THR 76 HB THR 76 -9.722 -6.105 -5.814 601 HG1 THR 76 1HG THR 76 -8.895 -7.986 -6.241 602 HG21 THR 76 1HG2 THR 76 -11.776 -5.325 -6.927 603 HG22 THR 76 2HG2 THR 76 -11.996 -6.950 -6.248 604 HG23 THR 76 3HG2 THR 76 -11.727 -6.760 -7.992 605 H LYS 77 H LYS 77 -8.983 -3.974 -9.618 606 HA LYS 77 HA LYS 77 -9.398 -1.807 -10.034 607 HB2 LYS 77 2HB LYS 77 -11.189 -2.353 -7.768 608 HB3 LYS 77 3HB LYS 77 -10.879 -0.622 -8.071 609 HG2 LYS 77 2HG LYS 77 -12.863 -1.356 -9.259 610 HG3 LYS 77 3HG LYS 77 -11.601 -0.861 -10.380 611 HD2 LYS 77 2HD LYS 77 -12.718 -2.757 -11.284 612 HD3 LYS 77 3HD LYS 77 -11.102 -3.278 -10.842 613 HE2 LYS 77 2HE LYS 77 -11.931 -4.383 -8.855 614 HE3 LYS 77 3HE LYS 77 -13.551 -3.736 -9.112 615 HZ1 LYS 77 1HZ LYS 77 -13.651 -5.003 -11.186 616 HZ2 LYS 77 2HZ LYS 77 -13.431 -5.994 -9.937 617 HZ3 LYS 77 3HZ LYS 77 -12.181 -5.662 -10.899 Start of MODEL 2 1 H2 SER 1 2H SER 1 3.268 -6.457 16.342 2 H3 SER 1 3H SER 1 2.927 -7.963 16.932 3 HA SER 1 HA SER 1 4.809 -8.035 15.402 4 HB2 SER 1 2HB SER 1 3.943 -9.843 13.922 5 HB3 SER 1 3HB SER 1 3.458 -10.068 15.631 6 HG SER 1 HG SER 1 1.780 -8.778 13.673 7 H HIS 2 H HIS 2 5.723 -7.313 13.284 8 HA HIS 2 HA HIS 2 3.879 -5.230 12.075 9 HB2 HIS 2 2HB HIS 2 6.654 -4.508 13.114 10 HB3 HIS 2 3HB HIS 2 5.290 -3.463 12.822 11 HD1 HIS 2 1HD HIS 2 7.145 -4.240 15.549 12 HD2 HIS 2 2HD HIS 2 3.053 -4.486 14.627 13 HE1 HIS 2 1HE HIS 2 5.921 -4.328 17.732 14 H MET 3 H MET 3 7.333 -5.335 11.818 15 HA MET 3 HA MET 3 7.477 -5.752 8.989 16 HB2 MET 3 2HB MET 3 9.615 -5.659 11.150 17 HB3 MET 3 3HB MET 3 9.919 -5.660 9.399 18 HG2 MET 3 2HG MET 3 8.565 -3.619 9.138 19 HG3 MET 3 3HG MET 3 8.309 -3.521 10.871 20 HE1 MET 3 1HE MET 3 10.088 -2.966 12.627 21 HE2 MET 3 2HE MET 3 11.284 -4.194 12.114 22 HE3 MET 3 3HE MET 3 11.759 -2.482 12.271 23 H THR 4 H THR 4 6.140 -7.951 10.456 24 HA THR 4 HA THR 4 7.730 -10.060 9.225 25 HB THR 4 HB THR 4 5.478 -10.472 11.148 26 HG1 THR 4 1HG THR 4 7.461 -11.425 12.290 27 HG21 THR 4 1HG2 THR 4 7.454 -12.403 9.897 28 HG22 THR 4 2HG2 THR 4 5.730 -12.271 9.499 29 HG23 THR 4 3HG2 THR 4 6.218 -12.821 11.112 30 H ALA 5 H ALA 5 4.241 -9.403 9.722 31 HA ALA 5 HA ALA 5 3.687 -10.477 7.101 32 HB1 ALA 5 1HB ALA 5 1.891 -8.924 9.027 33 HB2 ALA 5 2HB ALA 5 1.366 -9.955 7.668 34 HB3 ALA 5 3HB ALA 5 2.176 -10.682 9.060 35 H VAL 6 H VAL 6 3.737 -7.122 8.362 36 HA VAL 6 HA VAL 6 2.931 -5.832 5.989 37 HB VAL 6 HB VAL 6 3.215 -5.015 8.473 38 HG11 VAL 6 1HG1 VAL 6 5.725 -4.886 8.314 39 HG12 VAL 6 2HG1 VAL 6 5.517 -3.542 7.191 40 HG13 VAL 6 3HG1 VAL 6 4.913 -3.403 8.854 41 HG21 VAL 6 1HG2 VAL 6 2.712 -2.755 7.696 42 HG22 VAL 6 2HG2 VAL 6 3.232 -3.199 6.051 43 HG23 VAL 6 3HG2 VAL 6 1.811 -3.969 6.800 44 H GLN 7 H GLN 7 5.933 -7.245 6.957 45 HA GLN 7 HA GLN 7 7.508 -5.702 5.105 46 HB2 GLN 7 2HB GLN 7 8.444 -6.613 7.222 47 HB3 GLN 7 3HB GLN 7 8.175 -8.263 6.669 48 HG2 GLN 7 2HG GLN 7 10.521 -7.681 6.422 49 HG3 GLN 7 3HG GLN 7 9.813 -7.847 4.791 50 HE21 GLN 7 1HE2 GLN 7 9.095 -5.769 3.717 51 HE22 GLN 7 2HE2 GLN 7 9.610 -4.270 4.390 52 H ASP 8 H ASP 8 6.809 -9.123 5.343 53 HA ASP 8 HA ASP 8 7.658 -10.106 2.850 54 HB2 ASP 8 2HB ASP 8 7.042 -11.637 4.584 55 HB3 ASP 8 3HB ASP 8 5.398 -11.020 4.654 56 H PHE 9 H PHE 9 4.283 -8.977 3.620 57 HA PHE 9 HA PHE 9 3.257 -9.150 1.016 58 HB2 PHE 9 2HB PHE 9 1.822 -8.443 3.049 59 HB3 PHE 9 3HB PHE 9 2.828 -7.015 3.124 60 HD1 PHE 9 1HD PHE 9 2.535 -5.131 1.828 61 HD2 PHE 9 2HD PHE 9 0.454 -8.706 0.719 62 HE1 PHE 9 1HE PHE 9 1.587 -3.960 -0.110 63 HE2 PHE 9 2HE PHE 9 -0.608 -7.416 -1.182 64 HZ PHE 9 HZ PHE 9 -0.092 -5.081 -1.568 65 H VAL 10 H VAL 10 4.926 -6.340 2.538 66 HA VAL 10 HA VAL 10 4.730 -4.654 0.286 67 HB VAL 10 HB VAL 10 6.624 -4.646 2.637 68 HG11 VAL 10 1HG1 VAL 10 7.985 -3.595 0.905 69 HG12 VAL 10 2HG1 VAL 10 6.624 -2.554 0.428 70 HG13 VAL 10 3HG1 VAL 10 7.384 -2.378 2.021 71 HG21 VAL 10 1HG2 VAL 10 4.112 -3.996 2.740 72 HG22 VAL 10 2HG2 VAL 10 5.277 -2.836 3.385 73 HG23 VAL 10 3HG2 VAL 10 4.557 -2.591 1.783 74 H VAL 11 H VAL 11 7.484 -6.811 1.171 75 HA VAL 11 HA VAL 11 8.901 -6.040 -1.237 76 HB VAL 11 HB VAL 11 10.171 -8.417 -0.517 77 HG11 VAL 11 1HG1 VAL 11 11.946 -6.811 0.222 78 HG12 VAL 11 2HG1 VAL 11 11.206 -6.299 -1.299 79 HG13 VAL 11 3HG1 VAL 11 10.759 -5.485 0.209 80 HG21 VAL 11 1HG2 VAL 11 8.970 -8.353 1.652 81 HG22 VAL 11 2HG2 VAL 11 10.699 -8.002 1.860 82 HG23 VAL 11 3HG2 VAL 11 9.534 -6.656 1.858 83 H ASP 12 H ASP 12 6.417 -8.363 -0.849 84 HA ASP 12 HA ASP 12 6.993 -9.758 -3.279 85 HB2 ASP 12 2HB ASP 12 5.294 -10.299 -1.383 86 HB3 ASP 12 3HB ASP 12 4.227 -9.233 -2.286 87 H ILE 13 H ILE 13 5.523 -6.651 -2.591 88 HA ILE 13 HA ILE 13 4.862 -5.858 -5.473 89 HB ILE 13 HB ILE 13 4.541 -4.452 -2.841 90 HG12 ILE 13 2HG1 ILE 13 2.123 -4.499 -3.627 91 HG13 ILE 13 3HG1 ILE 13 2.586 -5.655 -4.866 92 HG21 ILE 13 1HG2 ILE 13 5.144 -2.884 -4.653 93 HG22 ILE 13 2HG2 ILE 13 4.056 -3.697 -5.765 94 HG23 ILE 13 3HG2 ILE 13 3.413 -2.826 -4.336 95 HD11 ILE 13 1HD1 ILE 13 2.835 -6.094 -1.890 96 HD12 ILE 13 2HD1 ILE 13 1.498 -6.665 -2.906 97 HD13 ILE 13 3HD1 ILE 13 3.087 -7.334 -3.153 98 H LEU 14 H LEU 14 7.423 -5.361 -2.965 99 HA LEU 14 HA LEU 14 8.595 -3.258 -4.546 100 HB2 LEU 14 2HB LEU 14 8.794 -4.124 -1.822 101 HB3 LEU 14 3HB LEU 14 10.328 -4.511 -2.505 102 HG LEU 14 HG LEU 14 9.048 -1.762 -2.555 103 HD11 LEU 14 1HD1 LEU 14 11.443 -2.852 -1.019 104 HD12 LEU 14 2HD1 LEU 14 9.849 -2.488 -0.335 105 HD13 LEU 14 3HD1 LEU 14 10.850 -1.179 -0.978 106 HD21 LEU 14 1HD2 LEU 14 10.399 -1.919 -4.542 107 HD22 LEU 14 2HD2 LEU 14 11.723 -2.719 -3.654 108 HD23 LEU 14 3HD2 LEU 14 11.331 -1.022 -3.341 109 H LEU 15 H LEU 15 9.920 -6.509 -3.690 110 HA LEU 15 HA LEU 15 11.858 -6.190 -5.945 111 HB2 LEU 15 2HB LEU 15 11.897 -8.079 -3.577 112 HB3 LEU 15 3HB LEU 15 13.156 -7.952 -4.781 113 HG LEU 15 HG LEU 15 12.435 -5.637 -2.940 114 HD11 LEU 15 1HD1 LEU 15 13.485 -7.552 -1.736 115 HD12 LEU 15 2HD1 LEU 15 14.551 -6.142 -1.803 116 HD13 LEU 15 3HD1 LEU 15 14.836 -7.522 -2.883 117 HD21 LEU 15 1HD2 LEU 15 14.526 -4.628 -3.762 118 HD22 LEU 15 2HD2 LEU 15 13.367 -4.841 -5.073 119 HD23 LEU 15 3HD2 LEU 15 14.734 -5.964 -4.902 120 H ASN 16 H ASN 16 9.197 -8.297 -4.909 121 HA ASN 16 HA ASN 16 9.879 -10.081 -7.173 122 HB2 ASN 16 2HB ASN 16 7.565 -10.179 -5.220 123 HB3 ASN 16 3HB ASN 16 7.666 -11.205 -6.633 124 HD21 ASN 16 1HD2 ASN 16 9.306 -10.439 -3.551 125 HD22 ASN 16 2HD2 ASN 16 10.069 -12.020 -3.410 126 H GLY 17 H GLY 17 8.050 -7.205 -6.505 127 HA2 GLY 17 2HA GLY 17 6.839 -5.795 -7.841 128 HA3 GLY 17 3HA GLY 17 6.982 -6.857 -9.201 129 H ALA 18 H ALA 18 4.742 -5.403 -8.322 130 HA ALA 18 HA ALA 18 2.728 -7.194 -7.253 131 HB1 ALA 18 1HB ALA 18 1.211 -5.275 -7.875 132 HB2 ALA 18 2HB ALA 18 2.620 -4.748 -6.953 133 HB3 ALA 18 3HB ALA 18 2.577 -4.518 -8.710 134 H ARG 19 H ARG 19 0.642 -7.115 -8.565 135 HA ARG 19 HA ARG 19 0.442 -7.875 -11.403 136 HB2 ARG 19 2HB ARG 19 -1.205 -6.723 -9.162 137 HB3 ARG 19 3HB ARG 19 -1.643 -6.193 -10.778 138 HG2 ARG 19 2HG ARG 19 -2.932 -8.044 -10.380 139 HG3 ARG 19 3HG ARG 19 -1.724 -8.569 -11.530 140 HD2 ARG 19 2HD ARG 19 -0.534 -9.318 -9.131 141 HD3 ARG 19 3HD ARG 19 -2.239 -9.479 -8.729 142 HE ARG 19 HE ARG 19 -2.498 -11.154 -10.341 143 HH11 ARG 19 1HH1 ARG 19 1.469 -11.460 -11.122 144 HH12 ARG 19 2HH1 ARG 19 0.923 -10.424 -9.861 145 HH21 ARG 19 1HH2 ARG 19 0.012 -12.805 -12.163 146 HH22 ARG 19 2HH2 ARG 19 -1.707 -12.641 -11.925 147 H ASP 20 H ASP 20 -0.707 -6.097 -12.563 148 HA ASP 20 HA ASP 20 0.781 -4.462 -14.043 149 HB2 ASP 20 2HB ASP 20 -2.075 -4.556 -13.013 150 HB3 ASP 20 3HB ASP 20 -1.624 -3.466 -14.253 151 H TRP 21 H TRP 21 0.408 -3.653 -10.723 152 HA TRP 21 HA TRP 21 0.349 -0.847 -11.085 153 HB2 TRP 21 2HB TRP 21 1.498 -2.361 -8.670 154 HB3 TRP 21 3HB TRP 21 1.065 -0.688 -8.816 155 HD1 TRP 21 1HD TRP 21 -1.361 -3.502 -10.094 156 HE1 TRP 21 1HE TRP 21 -3.614 -3.030 -9.088 157 HE3 TRP 21 3HE TRP 21 -0.064 0.302 -6.897 158 HZ2 TRP 21 2HZ TRP 21 -4.778 -1.226 -7.156 159 HZ3 TRP 21 3HZ TRP 21 -1.877 1.701 -5.889 160 HH2 TRP 21 2HH TRP 21 -4.188 0.915 -5.977 161 H ASP 22 H ASP 22 1.957 0.547 -10.490 162 HA ASP 22 HA ASP 22 4.589 0.112 -11.841 163 HB2 ASP 22 2HB ASP 22 3.126 1.425 -13.279 164 HB3 ASP 22 3HB ASP 22 2.477 2.332 -11.930 165 H VAL 23 H VAL 23 6.406 1.674 -10.432 166 HA VAL 23 HA VAL 23 5.583 0.460 -7.950 167 HB VAL 23 HB VAL 23 8.010 -0.501 -9.545 168 HG11 VAL 23 1HG1 VAL 23 8.835 -1.651 -7.524 169 HG12 VAL 23 2HG1 VAL 23 8.850 0.099 -7.303 170 HG13 VAL 23 3HG1 VAL 23 7.569 -0.881 -6.549 171 HG21 VAL 23 1HG2 VAL 23 5.808 -2.009 -8.051 172 HG22 VAL 23 2HG2 VAL 23 5.964 -1.855 -9.815 173 HG23 VAL 23 3HG2 VAL 23 7.173 -2.771 -8.886 174 H LEU 24 H LEU 24 5.647 1.968 -6.816 175 HA LEU 24 HA LEU 24 7.573 4.222 -7.289 176 HB2 LEU 24 2HB LEU 24 4.609 4.101 -7.109 177 HB3 LEU 24 3HB LEU 24 5.304 5.274 -6.225 178 HG LEU 24 HG LEU 24 4.532 6.203 -8.276 179 HD11 LEU 24 1HD1 LEU 24 6.500 7.123 -7.114 180 HD12 LEU 24 2HD1 LEU 24 6.503 7.472 -8.857 181 HD13 LEU 24 3HD1 LEU 24 7.563 6.205 -8.197 182 HD21 LEU 24 1HD2 LEU 24 5.587 5.714 -10.447 183 HD22 LEU 24 2HD2 LEU 24 4.737 4.311 -9.791 184 HD23 LEU 24 3HD2 LEU 24 6.510 4.396 -9.714 185 H GLN 25 H GLN 25 8.760 4.378 -5.748 186 HA GLN 25 HA GLN 25 7.752 4.236 -2.946 187 HB2 GLN 25 2HB GLN 25 10.626 4.091 -3.899 188 HB3 GLN 25 3HB GLN 25 10.130 4.447 -2.238 189 HG2 GLN 25 2HG GLN 25 10.098 2.252 -1.927 190 HG3 GLN 25 3HG GLN 25 8.544 2.254 -2.688 191 HE21 GLN 25 1HE2 GLN 25 8.271 0.907 -4.510 192 HE22 GLN 25 2HE2 GLN 25 9.639 0.196 -5.322 193 H THR 26 H THR 26 6.621 5.789 -3.095 194 HA THR 26 HA THR 26 7.957 8.375 -2.578 195 HB THR 26 HB THR 26 6.879 8.835 -4.630 196 HG1 THR 26 1HG THR 26 5.532 10.497 -3.923 197 HG21 THR 26 1HG2 THR 26 5.138 7.112 -4.810 198 HG22 THR 26 2HG2 THR 26 4.472 8.736 -5.008 199 HG23 THR 26 3HG2 THR 26 4.239 7.892 -3.476 200 H THR 27 H THR 27 5.940 9.571 -1.194 201 HA THR 27 HA THR 27 4.927 7.673 0.837 202 HB THR 27 HB THR 27 5.687 9.141 2.650 203 HG1 THR 27 1HG THR 27 6.290 10.831 1.034 204 HG21 THR 27 1HG2 THR 27 6.918 7.111 2.526 205 HG22 THR 27 2HG2 THR 27 8.143 8.390 2.647 206 HG23 THR 27 3HG2 THR 27 7.822 7.642 1.090 207 H CYS 28 H CYS 28 2.882 8.473 1.367 208 HA CYS 28 HA CYS 28 2.171 11.068 0.036 209 HB2 CYS 28 2HB CYS 28 1.707 8.983 -0.992 210 HB3 CYS 28 3HB CYS 28 0.703 8.440 0.314 211 HG CYS 28 HG CYS 28 0.360 10.898 -1.948 212 H THR 29 H THR 29 1.058 12.378 0.997 213 HA THR 29 HA THR 29 0.486 11.942 3.705 214 HB THR 29 HB THR 29 0.345 14.682 2.292 215 HG1 THR 29 1HG THR 29 2.314 14.877 2.044 216 HG21 THR 29 1HG2 THR 29 1.123 13.955 5.130 217 HG22 THR 29 2HG2 THR 29 -0.281 14.862 4.593 218 HG23 THR 29 3HG2 THR 29 1.327 15.556 4.418 219 H VAL 30 H VAL 30 -1.385 11.729 4.505 220 HA VAL 30 HA VAL 30 -3.744 13.233 3.641 221 HB VAL 30 HB VAL 30 -3.547 10.227 3.259 222 HG11 VAL 30 1HG1 VAL 30 -5.948 10.340 2.526 223 HG12 VAL 30 2HG1 VAL 30 -5.733 10.637 4.341 224 HG13 VAL 30 3HG1 VAL 30 -6.026 11.931 3.125 225 HG21 VAL 30 1HG2 VAL 30 -4.212 12.423 1.318 226 HG22 VAL 30 2HG2 VAL 30 -2.800 11.330 1.275 227 HG23 VAL 30 3HG2 VAL 30 -4.427 10.699 0.984 228 H ASP 31 H ASP 31 -5.160 13.489 5.344 229 HA ASP 31 HA ASP 31 -6.157 13.500 7.336 230 HB2 ASP 31 2HB ASP 31 -5.707 10.793 6.865 231 HB3 ASP 31 3HB ASP 31 -5.122 10.969 8.441 232 H ARG 32 H ARG 32 -3.300 14.205 7.099 233 HA ARG 32 HA ARG 32 -1.780 15.416 8.393 234 HB2 ARG 32 2HB ARG 32 -3.049 14.412 10.981 235 HB3 ARG 32 3HB ARG 32 -2.019 15.807 10.750 236 HG2 ARG 32 2HG ARG 32 -3.666 17.140 9.887 237 HG3 ARG 32 3HG ARG 32 -4.706 15.846 9.321 238 HD2 ARG 32 2HD ARG 32 -4.263 16.434 12.275 239 HD3 ARG 32 3HD ARG 32 -5.675 16.935 11.308 240 HE ARG 32 HE ARG 32 -5.372 14.169 10.926 241 HH11 ARG 32 1HH1 ARG 32 -6.974 14.890 14.532 242 HH12 ARG 32 2HH1 ARG 32 -6.319 16.238 13.665 243 HH21 ARG 32 1HH2 ARG 32 -7.187 12.902 13.508 244 HH22 ARG 32 2HH2 ARG 32 -6.538 12.599 11.953 245 H LYS 33 H LYS 33 -1.826 12.524 7.595 246 HA LYS 33 HA LYS 33 0.548 11.449 9.122 247 HB2 LYS 33 2HB LYS 33 -1.102 10.154 9.960 248 HB3 LYS 33 3HB LYS 33 -2.024 10.163 8.406 249 HG2 LYS 33 2HG LYS 33 -0.580 8.678 7.470 250 HG3 LYS 33 3HG LYS 33 0.718 9.074 8.675 251 HD2 LYS 33 2HD LYS 33 -0.929 8.237 10.485 252 HD3 LYS 33 3HD LYS 33 -1.835 7.501 9.191 253 HE2 LYS 33 2HE LYS 33 0.110 6.653 10.680 254 HE3 LYS 33 3HE LYS 33 -0.380 5.829 9.177 255 HZ1 LYS 33 1HZ LYS 33 1.852 5.856 8.928 256 HZ2 LYS 33 2HZ LYS 33 2.061 7.396 9.521 257 HZ3 LYS 33 3HZ LYS 33 1.398 7.096 8.025 258 H VAL 34 H VAL 34 1.932 10.219 7.668 259 HA VAL 34 HA VAL 34 1.429 10.573 4.768 260 HB VAL 34 HB VAL 34 3.786 11.275 6.274 261 HG11 VAL 34 1HG1 VAL 34 5.556 10.331 4.944 262 HG12 VAL 34 2HG1 VAL 34 4.690 9.063 5.866 263 HG13 VAL 34 3HG1 VAL 34 4.322 9.350 4.114 264 HG21 VAL 34 1HG2 VAL 34 3.173 11.534 3.348 265 HG22 VAL 34 2HG2 VAL 34 2.799 12.653 4.696 266 HG23 VAL 34 3HG2 VAL 34 4.492 12.364 4.241 267 H TYR 35 H TYR 35 1.797 8.687 3.590 268 HA TYR 35 HA TYR 35 2.211 6.111 5.094 269 HB2 TYR 35 2HB TYR 35 0.399 6.796 2.739 270 HB3 TYR 35 3HB TYR 35 0.562 5.228 3.529 271 HD1 TYR 35 1HD TYR 35 0.046 4.923 5.872 272 HD2 TYR 35 2HD TYR 35 -0.958 8.531 3.737 273 HE1 TYR 35 1HE TYR 35 -1.722 5.500 7.625 274 HE2 TYR 35 2HE TYR 35 -2.733 9.091 5.417 275 HH TYR 35 HH TYR 35 -3.699 6.696 7.905 276 H LYS 36 H LYS 36 3.729 4.693 4.192 277 HA LYS 36 HA LYS 36 5.237 5.888 1.968 278 HB2 LYS 36 2HB LYS 36 6.008 3.392 3.308 279 HB3 LYS 36 3HB LYS 36 6.978 4.623 2.594 280 HG2 LYS 36 2HG LYS 36 6.481 6.143 4.547 281 HG3 LYS 36 3HG LYS 36 5.533 4.837 5.268 282 HD2 LYS 36 2HD LYS 36 7.697 4.840 6.317 283 HD3 LYS 36 3HD LYS 36 7.515 3.383 5.344 284 HE2 LYS 36 2HE LYS 36 9.720 4.102 4.927 285 HE3 LYS 36 3HE LYS 36 8.811 4.586 3.484 286 HZ1 LYS 36 1HZ LYS 36 9.691 6.305 5.725 287 HZ2 LYS 36 2HZ LYS 36 8.681 6.879 4.600 288 HZ3 LYS 36 3HZ LYS 36 10.205 6.371 4.161 289 H THR 37 H THR 37 5.046 5.350 -0.118 290 HA THR 37 HA THR 37 3.048 3.369 -0.810 291 HB THR 37 HB THR 37 2.724 4.417 -2.779 292 HG1 THR 37 1HG THR 37 4.945 4.378 -3.429 293 HG21 THR 37 1HG2 THR 37 3.813 6.881 -1.400 294 HG22 THR 37 2HG2 THR 37 2.443 6.055 -0.711 295 HG23 THR 37 3HG2 THR 37 2.335 6.689 -2.356 296 H ILE 38 H ILE 38 3.371 1.748 -2.259 297 HA ILE 38 HA ILE 38 6.229 0.961 -2.760 298 HB ILE 38 HB ILE 38 4.005 -1.039 -3.245 299 HG12 ILE 38 2HG1 ILE 38 4.766 -0.218 -0.347 300 HG13 ILE 38 3HG1 ILE 38 3.198 -0.050 -1.092 301 HG21 ILE 38 1HG2 ILE 38 6.544 -1.434 -3.464 302 HG22 ILE 38 2HG2 ILE 38 6.725 -1.144 -1.734 303 HG23 ILE 38 3HG2 ILE 38 5.820 -2.546 -2.309 304 HD11 ILE 38 1HD1 ILE 38 3.036 -1.982 0.238 305 HD12 ILE 38 2HD1 ILE 38 2.965 -2.465 -1.460 306 HD13 ILE 38 3HD1 ILE 38 4.452 -2.711 -0.536 307 H CYS 39 H CYS 39 2.973 1.141 -4.088 308 HA CYS 39 HA CYS 39 4.001 1.117 -6.838 309 HB2 CYS 39 2HB CYS 39 2.738 -1.027 -7.357 310 HB3 CYS 39 3HB CYS 39 3.773 -1.116 -6.436 311 HG CYS 39 HG CYS 39 1.730 -2.628 -5.656 312 H LYS 40 H LYS 40 2.554 1.846 -8.247 313 HA LYS 40 HA LYS 40 0.120 2.804 -7.182 314 HB2 LYS 40 2HB LYS 40 1.936 4.557 -7.383 315 HB3 LYS 40 3HB LYS 40 2.273 3.981 -8.999 316 HG2 LYS 40 2HG LYS 40 -0.287 4.847 -9.401 317 HG3 LYS 40 3HG LYS 40 0.206 5.764 -7.999 318 HD2 LYS 40 2HD LYS 40 0.740 7.064 -10.020 319 HD3 LYS 40 3HD LYS 40 2.257 6.501 -9.285 320 HE2 LYS 40 2HE LYS 40 2.031 4.439 -10.882 321 HE3 LYS 40 3HE LYS 40 0.781 5.363 -11.700 322 HZ1 LYS 40 1HZ LYS 40 3.577 6.299 -11.283 323 HZ2 LYS 40 2HZ LYS 40 2.425 7.055 -12.205 324 HZ3 LYS 40 3HZ LYS 40 3.061 5.581 -12.635 325 H ARG 41 H ARG 41 -1.675 2.861 -8.578 326 HA ARG 41 HA ARG 41 -1.152 2.125 -11.356 327 HB2 ARG 41 2HB ARG 41 -1.957 0.004 -10.220 328 HB3 ARG 41 3HB ARG 41 -3.526 0.845 -9.992 329 HG2 ARG 41 2HG ARG 41 -3.168 1.425 -12.584 330 HG3 ARG 41 3HG ARG 41 -1.999 0.157 -12.548 331 HD2 ARG 41 2HD ARG 41 -3.788 -1.312 -11.478 332 HD3 ARG 41 3HD ARG 41 -4.958 -0.042 -11.787 333 HE ARG 41 HE ARG 41 -3.497 -1.611 -13.878 334 HH11 ARG 41 1HH1 ARG 41 -6.766 0.516 -14.791 335 HH12 ARG 41 2HH1 ARG 41 -6.164 0.635 -13.170 336 HH21 ARG 41 1HH2 ARG 41 -5.892 -0.829 -16.245 337 HH22 ARG 41 2HH2 ARG 41 -4.508 -1.813 -15.921 338 H GLY 42 H GLY 42 -1.718 3.739 -12.338 339 HA2 GLY 42 2HA GLY 42 -2.887 5.622 -13.013 340 HA3 GLY 42 3HA GLY 42 -4.337 4.995 -12.273 341 H ASN 43 H ASN 43 -5.100 6.419 -10.944 342 HA ASN 43 HA ASN 43 -3.349 8.267 -9.461 343 HB2 ASN 43 2HB ASN 43 -5.109 9.656 -9.129 344 HB3 ASN 43 3HB ASN 43 -5.506 8.943 -10.717 345 HD21 ASN 43 1HD2 ASN 43 -6.711 6.539 -9.784 346 HD22 ASN 43 2HD2 ASN 43 -8.137 6.948 -8.833 347 H THR 44 H THR 44 -3.919 5.205 -8.907 348 HA THR 44 HA THR 44 -4.268 5.597 -5.927 349 HB THR 44 HB THR 44 -6.054 4.359 -6.746 350 HG1 THR 44 1HG THR 44 -5.763 2.516 -5.351 351 HG21 THR 44 1HG2 THR 44 -5.625 3.149 -8.587 352 HG22 THR 44 2HG2 THR 44 -5.774 1.898 -7.377 353 HG23 THR 44 3HG2 THR 44 -4.154 2.388 -7.920 354 H TYR 45 H TYR 45 -2.977 4.213 -4.465 355 HA TYR 45 HA TYR 45 -0.222 3.934 -5.205 356 HB2 TYR 45 2HB TYR 45 -1.196 6.293 -3.460 357 HB3 TYR 45 3HB TYR 45 0.396 5.580 -3.405 358 HD1 TYR 45 1HD TYR 45 -1.990 6.982 -5.856 359 HD2 TYR 45 2HD TYR 45 2.126 6.445 -4.728 360 HE1 TYR 45 1HE TYR 45 -1.273 8.519 -7.730 361 HE2 TYR 45 2HE TYR 45 2.853 7.948 -6.563 362 HH TYR 45 HH TYR 45 2.139 9.500 -8.156 363 H LEU 46 H LEU 46 -0.019 2.133 -4.109 364 HA LEU 46 HA LEU 46 -1.593 1.724 -1.632 365 HB2 LEU 46 2HB LEU 46 -0.260 0.088 -3.808 366 HB3 LEU 46 3HB LEU 46 -0.480 -0.529 -2.243 367 HG LEU 46 HG LEU 46 -2.305 -0.727 -4.169 368 HD11 LEU 46 1HD1 LEU 46 -2.162 -2.116 -2.097 369 HD12 LEU 46 2HD1 LEU 46 -3.833 -1.583 -2.331 370 HD13 LEU 46 3HD1 LEU 46 -2.807 -0.771 -1.143 371 HD21 LEU 46 1HD2 LEU 46 -4.347 0.513 -3.485 372 HD22 LEU 46 2HD2 LEU 46 -3.083 1.668 -3.912 373 HD23 LEU 46 3HD2 LEU 46 -3.457 1.265 -2.224 374 H CYS 47 H CYS 47 -0.850 1.807 0.195 375 HA CYS 47 HA CYS 47 2.048 2.215 0.600 376 HB2 CYS 47 2HB CYS 47 -0.091 3.854 2.021 377 HB3 CYS 47 3HB CYS 47 1.596 4.268 1.720 378 HG CYS 47 HG CYS 47 -0.266 5.833 0.415 379 H PHE 48 H PHE 48 2.704 2.106 2.829 380 HA PHE 48 HA PHE 48 0.953 0.474 4.561 381 HB2 PHE 48 2HB PHE 48 2.537 -1.158 4.939 382 HB3 PHE 48 3HB PHE 48 2.511 -0.970 3.209 383 HD1 PHE 48 1HD PHE 48 4.302 0.430 2.076 384 HD2 PHE 48 2HD PHE 48 4.567 -1.058 6.085 385 HE1 PHE 48 1HE PHE 48 6.775 0.510 1.919 386 HE2 PHE 48 2HE PHE 48 7.036 -1.142 5.906 387 HZ PHE 48 HZ PHE 48 8.169 -0.325 3.830 388 H ASP 49 H ASP 49 1.537 0.419 6.792 389 HA ASP 49 HA ASP 49 3.532 2.521 7.590 390 HB2 ASP 49 2HB ASP 49 1.092 1.803 9.168 391 HB3 ASP 49 3HB ASP 49 2.316 2.965 9.642 392 H ASP 50 H ASP 50 3.220 1.777 10.393 393 HA ASP 50 HA ASP 50 4.799 -0.596 10.456 394 HB2 ASP 50 2HB ASP 50 3.549 0.924 12.727 395 HB3 ASP 50 3HB ASP 50 4.793 -0.284 12.938 396 H THR 51 H THR 51 1.590 -0.267 10.140 397 HA THR 51 HA THR 51 0.764 -2.260 12.176 398 HB THR 51 HB THR 51 -1.214 -0.347 11.041 399 HG1 THR 51 1HG THR 51 -0.356 1.488 11.673 400 HG21 THR 51 1HG2 THR 51 -0.174 -0.868 13.847 401 HG22 THR 51 2HG2 THR 51 -1.589 -1.653 13.092 402 HG23 THR 51 3HG2 THR 51 -1.619 0.086 13.443 403 H ASN 52 H ASN 52 0.501 -1.485 8.791 404 HA ASN 52 HA ASN 52 -0.790 -3.504 7.629 405 HB2 ASN 52 2HB ASN 52 -3.070 -2.707 7.404 406 HB3 ASN 52 3HB ASN 52 -2.833 -3.399 8.962 407 HD21 ASN 52 1HD2 ASN 52 -3.102 -0.368 7.117 408 HD22 ASN 52 2HD2 ASN 52 -3.535 0.642 8.479 409 H LEU 53 H LEU 53 -2.363 -2.491 5.820 410 HA LEU 53 HA LEU 53 -0.795 -0.358 4.501 411 HB2 LEU 53 2HB LEU 53 -2.177 -2.876 3.557 412 HB3 LEU 53 3HB LEU 53 -2.043 -1.513 2.460 413 HG LEU 53 HG LEU 53 0.427 -1.366 3.045 414 HD11 LEU 53 1HD1 LEU 53 1.364 -3.708 3.676 415 HD12 LEU 53 2HD1 LEU 53 -0.272 -3.950 4.361 416 HD13 LEU 53 3HD1 LEU 53 0.798 -2.676 4.997 417 HD21 LEU 53 1HD2 LEU 53 -0.323 -4.006 1.928 418 HD22 LEU 53 2HD2 LEU 53 1.084 -2.923 1.604 419 HD23 LEU 53 3HD2 LEU 53 -0.522 -2.449 1.001 420 H TYR 54 H TYR 54 -1.959 0.834 2.860 421 HA TYR 54 HA TYR 54 -4.781 1.326 3.336 422 HB2 TYR 54 2HB TYR 54 -2.988 3.765 3.370 423 HB3 TYR 54 3HB TYR 54 -4.673 3.623 3.693 424 HD1 TYR 54 1HD TYR 54 -5.341 3.863 5.860 425 HD2 TYR 54 2HD TYR 54 -1.423 2.212 5.178 426 HE1 TYR 54 1HE TYR 54 -4.969 3.775 8.287 427 HE2 TYR 54 2HE TYR 54 -1.204 1.797 7.591 428 HH TYR 54 HH TYR 54 -3.579 3.084 9.961 429 H ALA 55 H ALA 55 -5.758 2.046 1.328 430 HA ALA 55 HA ALA 55 -3.845 2.651 -0.893 431 HB1 ALA 55 1HB ALA 55 -5.849 2.590 -2.353 432 HB2 ALA 55 2HB ALA 55 -5.765 1.069 -1.459 433 HB3 ALA 55 3HB ALA 55 -6.904 2.326 -0.946 434 H ILE 56 H ILE 56 -3.484 4.660 -1.511 435 HA ILE 56 HA ILE 56 -5.459 6.698 -0.553 436 HB ILE 56 HB ILE 56 -2.503 7.051 -1.094 437 HG12 ILE 56 2HG1 ILE 56 -3.139 8.499 1.130 438 HG13 ILE 56 3HG1 ILE 56 -4.401 7.304 1.267 439 HG21 ILE 56 1HG2 ILE 56 -3.059 9.527 -0.830 440 HG22 ILE 56 2HG2 ILE 56 -3.658 8.833 -2.340 441 HG23 ILE 56 3HG2 ILE 56 -4.765 9.117 -0.967 442 HD11 ILE 56 1HD1 ILE 56 -1.377 6.900 1.270 443 HD12 ILE 56 2HD1 ILE 56 -2.534 6.626 2.586 444 HD13 ILE 56 3HD1 ILE 56 -2.535 5.528 1.205 445 H THR 57 H THR 57 -6.946 6.704 -1.982 446 HA THR 57 HA THR 57 -6.202 6.599 -4.969 447 HB THR 57 HB THR 57 -9.057 6.659 -3.752 448 HG1 THR 57 1HG THR 57 -7.228 4.521 -4.070 449 HG21 THR 57 1HG2 THR 57 -9.574 5.565 -5.891 450 HG22 THR 57 2HG2 THR 57 -7.877 5.571 -6.362 451 HG23 THR 57 3HG2 THR 57 -8.724 7.085 -6.209 452 H GLY 58 H GLY 58 -5.573 8.414 -5.497 453 HA2 GLY 58 2HA GLY 58 -5.101 10.853 -5.826 454 HA3 GLY 58 3HA GLY 58 -7.109 11.041 -5.222 455 H ASP 59 H ASP 59 -7.324 10.911 -3.107 456 HA ASP 59 HA ASP 59 -5.334 11.839 -0.985 457 HB2 ASP 59 2HB ASP 59 -7.915 13.302 -2.010 458 HB3 ASP 59 3HB ASP 59 -6.946 13.788 -0.792 459 H VAL 60 H VAL 60 -7.425 9.463 -1.612 460 HA VAL 60 HA VAL 60 -9.179 9.654 0.759 461 HB VAL 60 HB VAL 60 -9.364 7.939 -1.806 462 HG11 VAL 60 1HG1 VAL 60 -11.153 7.857 0.697 463 HG12 VAL 60 2HG1 VAL 60 -11.556 7.118 -0.871 464 HG13 VAL 60 3HG1 VAL 60 -10.170 6.526 0.025 465 HG21 VAL 60 1HG2 VAL 60 -11.218 10.150 -0.749 466 HG22 VAL 60 2HG2 VAL 60 -10.113 10.254 -2.148 467 HG23 VAL 60 3HG2 VAL 60 -11.488 9.155 -2.188 468 H VAL 61 H VAL 61 -8.043 8.861 2.432 469 HA VAL 61 HA VAL 61 -6.336 6.554 2.028 470 HB VAL 61 HB VAL 61 -5.797 8.290 3.518 471 HG11 VAL 61 1HG1 VAL 61 -6.681 8.453 5.829 472 HG12 VAL 61 2HG1 VAL 61 -8.019 8.659 4.661 473 HG13 VAL 61 3HG1 VAL 61 -7.791 7.106 5.494 474 HG21 VAL 61 1HG2 VAL 61 -4.884 6.755 5.329 475 HG22 VAL 61 2HG2 VAL 61 -6.025 5.534 4.746 476 HG23 VAL 61 3HG2 VAL 61 -4.717 6.075 3.697 477 H LEU 62 H LEU 62 -6.892 4.567 2.028 478 HA LEU 62 HA LEU 62 -9.359 3.622 3.431 479 HB2 LEU 62 2HB LEU 62 -9.843 3.725 1.222 480 HB3 LEU 62 3HB LEU 62 -8.364 3.254 0.614 481 HG LEU 62 HG LEU 62 -8.854 0.968 0.755 482 HD11 LEU 62 1HD1 LEU 62 -10.761 0.000 2.180 483 HD12 LEU 62 2HD1 LEU 62 -10.743 1.530 3.088 484 HD13 LEU 62 3HD1 LEU 62 -9.317 0.454 3.040 485 HD21 LEU 62 1HD2 LEU 62 -10.476 2.211 -0.661 486 HD22 LEU 62 2HD2 LEU 62 -11.580 2.282 0.745 487 HD23 LEU 62 3HD2 LEU 62 -11.172 0.714 -0.003 488 H LYS 63 H LYS 63 -8.213 3.109 5.184 489 HA LYS 63 HA LYS 63 -5.981 1.378 5.349 490 HB2 LYS 63 2HB LYS 63 -6.421 0.994 7.615 491 HB3 LYS 63 3HB LYS 63 -6.795 2.680 7.282 492 HG2 LYS 63 2HG LYS 63 -9.097 2.408 7.565 493 HG3 LYS 63 3HG LYS 63 -9.051 0.663 7.413 494 HD2 LYS 63 2HD LYS 63 -7.856 2.178 9.761 495 HD3 LYS 63 3HD LYS 63 -9.440 1.383 9.713 496 HE2 LYS 63 2HE LYS 63 -8.184 -0.761 9.021 497 HE3 LYS 63 3HE LYS 63 -6.707 0.049 9.526 498 HZ1 LYS 63 1HZ LYS 63 -7.466 0.161 11.748 499 HZ2 LYS 63 2HZ LYS 63 -7.782 -1.341 11.281 500 HZ3 LYS 63 3HZ LYS 63 -9.022 -0.277 11.338 501 H PHE 64 H PHE 64 -5.576 -0.704 5.169 502 HA PHE 64 HA PHE 64 -7.768 -2.624 4.564 503 HB2 PHE 64 2HB PHE 64 -4.825 -2.977 4.496 504 HB3 PHE 64 3HB PHE 64 -5.970 -4.174 4.277 505 HD1 PHE 64 1HD PHE 64 -4.258 -1.446 2.689 506 HD2 PHE 64 2HD PHE 64 -7.816 -3.836 2.390 507 HE1 PHE 64 1HE PHE 64 -4.550 -0.695 0.348 508 HE2 PHE 64 2HE PHE 64 -8.137 -3.075 0.071 509 HZ PHE 64 HZ PHE 64 -6.489 -1.543 -0.982 510 H ALA 65 H ALA 65 -8.347 -4.162 6.152 511 HA ALA 65 HA ALA 65 -7.397 -3.966 8.904 512 HB1 ALA 65 1HB ALA 65 -8.948 -5.784 9.269 513 HB2 ALA 65 2HB ALA 65 -9.760 -4.626 8.180 514 HB3 ALA 65 3HB ALA 65 -9.029 -6.153 7.554 515 H THR 66 H THR 66 -5.542 -5.169 6.393 516 HA THR 66 HA THR 66 -4.096 -6.941 8.085 517 HB THR 66 HB THR 66 -4.575 -8.162 5.476 518 HG1 THR 66 1HG THR 66 -6.538 -8.187 7.617 519 HG21 THR 66 1HG2 THR 66 -3.263 -9.367 7.111 520 HG22 THR 66 2HG2 THR 66 -4.749 -10.251 6.724 521 HG23 THR 66 3HG2 THR 66 -4.628 -9.368 8.258 522 H VAL 67 H VAL 67 -2.399 -7.718 6.579 523 HA VAL 67 HA VAL 67 -1.543 -5.538 4.777 524 HB VAL 67 HB VAL 67 -0.230 -8.250 5.047 525 HG11 VAL 67 1HG1 VAL 67 0.449 -6.121 3.777 526 HG12 VAL 67 2HG1 VAL 67 0.757 -5.429 5.418 527 HG13 VAL 67 3HG1 VAL 67 1.709 -6.845 4.901 528 HG21 VAL 67 1HG2 VAL 67 0.153 -6.287 7.268 529 HG22 VAL 67 2HG2 VAL 67 -0.531 -7.961 7.384 530 HG23 VAL 67 3HG2 VAL 67 1.131 -7.721 6.777 531 H SER 68 H SER 68 -2.142 -9.053 4.620 532 HA SER 68 HA SER 68 -1.794 -9.497 1.942 533 HB2 SER 68 2HB SER 68 -3.915 -10.944 3.547 534 HB3 SER 68 3HB SER 68 -2.709 -11.606 2.432 535 HG SER 68 HG SER 68 -1.721 -12.025 4.294 536 H LYS 69 H LYS 69 -4.445 -7.792 3.388 537 HA LYS 69 HA LYS 69 -6.437 -8.219 1.380 538 HB2 LYS 69 2HB LYS 69 -5.867 -5.694 2.929 539 HB3 LYS 69 3HB LYS 69 -7.414 -6.156 2.250 540 HG2 LYS 69 2HG LYS 69 -6.537 -8.128 4.187 541 HG3 LYS 69 3HG LYS 69 -6.286 -6.502 4.822 542 HD2 LYS 69 2HD LYS 69 -8.454 -6.989 5.542 543 HD3 LYS 69 3HD LYS 69 -8.630 -5.974 4.062 544 HE2 LYS 69 2HE LYS 69 -8.540 -8.333 2.827 545 HE3 LYS 69 3HE LYS 69 -8.572 -9.081 4.397 546 HZ1 LYS 69 1HZ LYS 69 -10.838 -8.315 4.739 547 HZ2 LYS 69 2HZ LYS 69 -10.746 -9.060 3.276 548 HZ3 LYS 69 3HZ LYS 69 -10.790 -7.412 3.296 549 H ALA 70 H ALA 70 -4.023 -5.631 1.722 550 HA ALA 70 HA ALA 70 -4.638 -4.174 -0.564 551 HB1 ALA 70 1HB ALA 70 -3.028 -3.586 1.149 552 HB2 ALA 70 2HB ALA 70 -1.944 -4.911 0.633 553 HB3 ALA 70 3HB ALA 70 -2.236 -3.534 -0.461 554 H ARG 71 H ARG 71 -3.013 -7.350 -0.556 555 HA ARG 71 HA ARG 71 -2.079 -7.413 -3.220 556 HB2 ARG 71 2HB ARG 71 -1.803 -9.084 -1.032 557 HB3 ARG 71 3HB ARG 71 -2.982 -9.967 -1.966 558 HG2 ARG 71 2HG ARG 71 -1.466 -10.541 -3.608 559 HG3 ARG 71 3HG ARG 71 -0.713 -8.953 -3.623 560 HD2 ARG 71 2HD ARG 71 0.953 -10.474 -2.964 561 HD3 ARG 71 3HD ARG 71 0.524 -9.499 -1.537 562 HE ARG 71 HE ARG 71 -1.085 -11.726 -1.315 563 HH11 ARG 71 1HH1 ARG 71 2.736 -12.715 -0.576 564 HH12 ARG 71 2HH1 ARG 71 2.477 -11.623 -1.911 565 HH21 ARG 71 1HH2 ARG 71 1.178 -13.642 0.501 566 HH22 ARG 71 2HH2 ARG 71 -0.525 -13.350 0.191 567 H ALA 72 H ALA 72 -5.246 -8.269 -1.867 568 HA ALA 72 HA ALA 72 -6.206 -9.455 -4.425 569 HB1 ALA 72 1HB ALA 72 -6.822 -10.374 -2.191 570 HB2 ALA 72 2HB ALA 72 -7.522 -8.789 -1.712 571 HB3 ALA 72 3HB ALA 72 -8.268 -9.741 -3.047 572 H TYR 73 H TYR 73 -6.035 -6.387 -2.793 573 HA TYR 73 HA TYR 73 -8.313 -5.052 -4.167 574 HB2 TYR 73 2HB TYR 73 -7.904 -4.216 -2.026 575 HB3 TYR 73 3HB TYR 73 -6.166 -4.196 -2.289 576 HD1 TYR 73 1HD TYR 73 -5.121 -2.644 -3.863 577 HD2 TYR 73 2HD TYR 73 -9.297 -2.273 -2.916 578 HE1 TYR 73 1HE TYR 73 -5.134 -0.670 -5.069 579 HE2 TYR 73 2HE TYR 73 -9.326 -0.067 -4.098 580 HH TYR 73 HH TYR 73 -8.136 1.101 -5.783 581 H LEU 74 H LEU 74 -4.743 -5.303 -4.444 582 HA LEU 74 HA LEU 74 -4.134 -3.564 -6.469 583 HB2 LEU 74 2HB LEU 74 -3.401 -6.342 -5.482 584 HB3 LEU 74 3HB LEU 74 -2.660 -5.797 -6.918 585 HG LEU 74 HG LEU 74 -1.734 -5.363 -4.290 586 HD11 LEU 74 1HD1 LEU 74 -0.176 -3.887 -5.472 587 HD12 LEU 74 2HD1 LEU 74 -1.400 -3.834 -6.810 588 HD13 LEU 74 3HD1 LEU 74 -0.584 -5.416 -6.346 589 HD21 LEU 74 1HD2 LEU 74 -3.195 -3.332 -3.919 590 HD22 LEU 74 2HD2 LEU 74 -2.539 -2.633 -5.426 591 HD23 LEU 74 3HD2 LEU 74 -1.473 -2.949 -4.051 592 H GLU 75 H GLU 75 -5.588 -6.735 -6.806 593 HA GLU 75 HA GLU 75 -5.771 -6.427 -9.755 594 HB2 GLU 75 2HB GLU 75 -6.703 -8.858 -9.502 595 HB3 GLU 75 3HB GLU 75 -5.004 -8.441 -9.419 596 HG2 GLU 75 2HG GLU 75 -5.178 -8.529 -6.868 597 HG3 GLU 75 3HG GLU 75 -6.776 -9.206 -7.078 598 H THR 76 H THR 76 -7.474 -5.187 -7.364 599 HA THR 76 HA THR 76 -10.123 -5.325 -8.707 600 HB THR 76 HB THR 76 -9.825 -5.693 -5.697 601 HG1 THR 76 1HG THR 76 -9.068 -7.534 -6.343 602 HG21 THR 76 1HG2 THR 76 -12.049 -6.225 -7.716 603 HG22 THR 76 2HG2 THR 76 -11.998 -4.878 -6.550 604 HG23 THR 76 3HG2 THR 76 -12.130 -6.559 -5.955 605 H LYS 77 H LYS 77 -9.389 -3.232 -9.343 606 HA LYS 77 HA LYS 77 -10.158 -1.150 -9.628 607 HB2 LYS 77 2HB LYS 77 -12.022 -2.308 -7.644 608 HB3 LYS 77 3HB LYS 77 -12.098 -0.570 -7.791 609 HG2 LYS 77 2HG LYS 77 -13.699 -1.323 -9.243 610 HG3 LYS 77 3HG LYS 77 -12.364 -0.811 -10.267 611 HD2 LYS 77 2HD LYS 77 -11.672 -3.238 -10.436 612 HD3 LYS 77 3HD LYS 77 -13.121 -3.681 -9.522 613 HE2 LYS 77 2HE LYS 77 -13.028 -2.216 -12.208 614 HE3 LYS 77 3HE LYS 77 -13.363 -3.941 -11.999 615 HZ1 LYS 77 1HZ LYS 77 -15.104 -1.723 -11.037 616 HZ2 LYS 77 2HZ LYS 77 -15.370 -3.289 -10.700 617 HZ3 LYS 77 3HZ LYS 77 -15.441 -2.741 -12.248 Start of MODEL 3 1 H2 SER 1 2H SER 1 3.187 -9.449 13.533 2 H3 SER 1 3H SER 1 4.056 -9.997 14.823 3 HA SER 1 HA SER 1 2.759 -7.945 15.239 4 HB2 SER 1 2HB SER 1 4.472 -8.441 16.778 5 HB3 SER 1 3HB SER 1 5.734 -7.966 15.659 6 HG SER 1 HG SER 1 3.880 -6.218 16.942 7 H HIS 2 H HIS 2 5.771 -6.429 13.803 8 HA HIS 2 HA HIS 2 3.815 -4.534 12.570 9 HB2 HIS 2 2HB HIS 2 6.703 -4.204 13.530 10 HB3 HIS 2 3HB HIS 2 5.740 -2.919 12.786 11 HD1 HIS 2 1HD HIS 2 7.001 -3.044 15.886 12 HD2 HIS 2 2HD HIS 2 3.067 -3.051 14.383 13 HE1 HIS 2 1HE HIS 2 5.551 -1.969 17.628 14 H MET 3 H MET 3 7.089 -4.251 11.672 15 HA MET 3 HA MET 3 7.174 -4.885 8.883 16 HB2 MET 3 2HB MET 3 9.308 -4.848 11.027 17 HB3 MET 3 3HB MET 3 9.584 -4.843 9.278 18 HG2 MET 3 2HG MET 3 8.404 -2.721 9.040 19 HG3 MET 3 3HG MET 3 8.047 -2.658 10.763 20 HE1 MET 3 1HE MET 3 11.496 -1.923 12.393 21 HE2 MET 3 2HE MET 3 9.761 -2.177 12.659 22 HE3 MET 3 3HE MET 3 10.820 -3.546 12.199 23 H THR 4 H THR 4 5.818 -7.087 10.499 24 HA THR 4 HA THR 4 7.584 -9.346 9.828 25 HB THR 4 HB THR 4 4.960 -9.670 11.214 26 HG1 THR 4 1HG THR 4 7.409 -9.160 12.522 27 HG21 THR 4 1HG2 THR 4 6.126 -11.607 12.217 28 HG22 THR 4 2HG2 THR 4 7.607 -11.151 11.335 29 HG23 THR 4 3HG2 THR 4 6.158 -11.670 10.438 30 H ALA 5 H ALA 5 4.075 -8.796 9.654 31 HA ALA 5 HA ALA 5 3.926 -10.362 7.169 32 HB1 ALA 5 1HB ALA 5 2.233 -10.565 8.969 33 HB2 ALA 5 2HB ALA 5 1.792 -8.846 8.777 34 HB3 ALA 5 3HB ALA 5 1.509 -10.011 7.456 35 H VAL 6 H VAL 6 3.549 -6.937 8.085 36 HA VAL 6 HA VAL 6 2.883 -5.985 5.525 37 HB VAL 6 HB VAL 6 2.840 -4.826 7.840 38 HG11 VAL 6 1HG1 VAL 6 5.304 -4.776 8.106 39 HG12 VAL 6 2HG1 VAL 6 5.403 -3.579 6.807 40 HG13 VAL 6 3HG1 VAL 6 4.525 -3.197 8.303 41 HG21 VAL 6 1HG2 VAL 6 1.781 -3.899 5.891 42 HG22 VAL 6 2HG2 VAL 6 2.653 -2.613 6.719 43 HG23 VAL 6 3HG2 VAL 6 3.341 -3.334 5.242 44 H GLN 7 H GLN 7 6.069 -6.704 6.926 45 HA GLN 7 HA GLN 7 7.488 -5.368 4.863 46 HB2 GLN 7 2HB GLN 7 8.479 -5.892 7.082 47 HB3 GLN 7 3HB GLN 7 8.372 -7.619 6.743 48 HG2 GLN 7 2HG GLN 7 10.665 -6.866 6.471 49 HG3 GLN 7 3HG GLN 7 10.021 -7.342 4.885 50 HE21 GLN 7 1HE2 GLN 7 8.975 -5.440 3.631 51 HE22 GLN 7 2HE2 GLN 7 9.531 -3.850 3.987 52 H ASP 8 H ASP 8 6.961 -8.722 5.460 53 HA ASP 8 HA ASP 8 7.767 -10.097 3.158 54 HB2 ASP 8 2HB ASP 8 6.892 -11.183 5.166 55 HB3 ASP 8 3HB ASP 8 5.289 -10.505 4.902 56 H PHE 9 H PHE 9 4.429 -8.879 3.702 57 HA PHE 9 HA PHE 9 3.406 -9.212 1.140 58 HB2 PHE 9 2HB PHE 9 1.980 -8.458 3.099 59 HB3 PHE 9 3HB PHE 9 2.955 -7.004 3.169 60 HD1 PHE 9 1HD PHE 9 0.697 -8.799 0.761 61 HD2 PHE 9 2HD PHE 9 2.536 -5.088 1.922 62 HE1 PHE 9 1HE PHE 9 -0.413 -7.607 -1.138 63 HE2 PHE 9 2HE PHE 9 1.470 -3.961 -0.015 64 HZ PHE 9 HZ PHE 9 -0.078 -5.201 -1.487 65 H VAL 10 H VAL 10 5.042 -6.317 2.454 66 HA VAL 10 HA VAL 10 4.949 -4.722 0.140 67 HB VAL 10 HB VAL 10 6.908 -4.760 2.426 68 HG11 VAL 10 1HG1 VAL 10 6.984 -2.815 0.108 69 HG12 VAL 10 2HG1 VAL 10 7.790 -2.568 1.674 70 HG13 VAL 10 3HG1 VAL 10 8.287 -3.909 0.635 71 HG21 VAL 10 1HG2 VAL 10 5.732 -2.967 3.282 72 HG22 VAL 10 2HG2 VAL 10 5.154 -2.439 1.698 73 HG23 VAL 10 3HG2 VAL 10 4.402 -3.837 2.465 74 H VAL 11 H VAL 11 7.539 -7.104 1.020 75 HA VAL 11 HA VAL 11 8.923 -6.528 -1.466 76 HB VAL 11 HB VAL 11 9.940 -9.044 -0.775 77 HG11 VAL 11 1HG1 VAL 11 11.935 -7.655 -0.197 78 HG12 VAL 11 2HG1 VAL 11 11.155 -7.080 -1.678 79 HG13 VAL 11 3HG1 VAL 11 10.917 -6.191 -0.161 80 HG21 VAL 11 1HG2 VAL 11 8.891 -8.774 1.483 81 HG22 VAL 11 2HG2 VAL 11 10.662 -8.704 1.542 82 HG23 VAL 11 3HG2 VAL 11 9.725 -7.194 1.618 83 H ASP 12 H ASP 12 6.201 -8.575 -0.959 84 HA ASP 12 HA ASP 12 6.578 -10.061 -3.401 85 HB2 ASP 12 2HB ASP 12 4.747 -10.268 -1.512 86 HB3 ASP 12 3HB ASP 12 3.857 -9.112 -2.490 87 H ILE 13 H ILE 13 5.441 -6.756 -2.746 88 HA ILE 13 HA ILE 13 4.899 -5.864 -5.634 89 HB ILE 13 HB ILE 13 4.936 -4.430 -3.001 90 HG12 ILE 13 2HG1 ILE 13 2.560 -4.026 -3.643 91 HG13 ILE 13 3HG1 ILE 13 2.741 -5.164 -4.969 92 HG21 ILE 13 1HG2 ILE 13 4.219 -2.555 -4.489 93 HG22 ILE 13 2HG2 ILE 13 5.830 -3.051 -4.895 94 HG23 ILE 13 3HG2 ILE 13 4.488 -3.594 -5.910 95 HD11 ILE 13 1HD1 ILE 13 1.531 -6.065 -3.019 96 HD12 ILE 13 2HD1 ILE 13 2.962 -7.014 -3.374 97 HD13 ILE 13 3HD1 ILE 13 2.994 -5.835 -2.018 98 H LEU 14 H LEU 14 7.457 -5.557 -3.049 99 HA LEU 14 HA LEU 14 8.649 -3.523 -4.524 100 HB2 LEU 14 2HB LEU 14 8.892 -4.525 -1.891 101 HB3 LEU 14 3HB LEU 14 10.408 -4.910 -2.567 102 HG LEU 14 HG LEU 14 9.129 -2.187 -2.258 103 HD11 LEU 14 1HD1 LEU 14 11.134 -1.701 -0.931 104 HD12 LEU 14 2HD1 LEU 14 11.812 -3.302 -1.326 105 HD13 LEU 14 3HD1 LEU 14 10.343 -3.172 -0.328 106 HD21 LEU 14 1HD2 LEU 14 11.205 -1.205 -3.310 107 HD22 LEU 14 2HD2 LEU 14 10.097 -1.981 -4.438 108 HD23 LEU 14 3HD2 LEU 14 11.588 -2.828 -3.935 109 H LEU 15 H LEU 15 9.905 -6.835 -3.980 110 HA LEU 15 HA LEU 15 11.879 -6.399 -6.177 111 HB2 LEU 15 2HB LEU 15 11.806 -8.514 -3.990 112 HB3 LEU 15 3HB LEU 15 13.050 -8.380 -5.225 113 HG LEU 15 HG LEU 15 12.552 -6.227 -3.130 114 HD11 LEU 15 1HD1 LEU 15 14.667 -7.004 -2.142 115 HD12 LEU 15 2HD1 LEU 15 14.798 -8.277 -3.384 116 HD13 LEU 15 3HD1 LEU 15 13.485 -8.331 -2.186 117 HD21 LEU 15 1HD2 LEU 15 13.453 -5.218 -5.155 118 HD22 LEU 15 2HD2 LEU 15 14.702 -6.475 -5.261 119 HD23 LEU 15 3HD2 LEU 15 14.718 -5.304 -3.926 120 H ASN 16 H ASN 16 9.355 -8.713 -5.121 121 HA ASN 16 HA ASN 16 9.673 -10.302 -7.549 122 HB2 ASN 16 2HB ASN 16 7.525 -10.449 -5.413 123 HB3 ASN 16 3HB ASN 16 7.753 -11.602 -6.710 124 HD21 ASN 16 1HD2 ASN 16 9.036 -10.360 -3.655 125 HD22 ASN 16 2HD2 ASN 16 10.235 -11.645 -3.445 126 H GLY 17 H GLY 17 7.988 -7.442 -6.625 127 HA2 GLY 17 2HA GLY 17 7.339 -5.868 -8.265 128 HA3 GLY 17 3HA GLY 17 6.909 -7.171 -9.374 129 H ALA 18 H ALA 18 5.481 -4.867 -8.687 130 HA ALA 18 HA ALA 18 3.007 -5.692 -7.350 131 HB1 ALA 18 1HB ALA 18 3.275 -3.653 -9.650 132 HB2 ALA 18 2HB ALA 18 2.051 -3.772 -8.379 133 HB3 ALA 18 3HB ALA 18 3.679 -3.287 -7.964 134 H ARG 19 H ARG 19 0.982 -5.509 -8.849 135 HA ARG 19 HA ARG 19 0.940 -7.460 -11.079 136 HB2 ARG 19 2HB ARG 19 -1.247 -5.607 -10.020 137 HB3 ARG 19 3HB ARG 19 -1.413 -6.854 -11.266 138 HG2 ARG 19 2HG ARG 19 -1.498 -7.094 -8.440 139 HG3 ARG 19 3HG ARG 19 -2.423 -7.992 -9.722 140 HD2 ARG 19 2HD ARG 19 -1.117 -9.393 -8.078 141 HD3 ARG 19 3HD ARG 19 -0.911 -9.719 -9.716 142 HE ARG 19 HE ARG 19 1.235 -7.976 -8.907 143 HH11 ARG 19 1HH1 ARG 19 2.000 -11.930 -8.513 144 HH12 ARG 19 2HH1 ARG 19 0.329 -11.452 -8.593 145 HH21 ARG 19 1HH2 ARG 19 3.594 -10.521 -8.516 146 HH22 ARG 19 2HH2 ARG 19 3.301 -8.795 -8.653 147 H ASP 20 H ASP 20 -0.852 -5.827 -12.454 148 HA ASP 20 HA ASP 20 0.696 -4.511 -14.455 149 HB2 ASP 20 2HB ASP 20 -1.854 -5.403 -14.130 150 HB3 ASP 20 3HB ASP 20 -2.129 -3.742 -13.831 151 H TRP 21 H TRP 21 0.633 -3.415 -11.345 152 HA TRP 21 HA TRP 21 0.364 -0.554 -11.773 153 HB2 TRP 21 2HB TRP 21 1.492 -1.915 -9.259 154 HB3 TRP 21 3HB TRP 21 0.920 -0.360 -9.470 155 HD1 TRP 21 1HD TRP 21 -1.440 -3.263 -10.473 156 HE1 TRP 21 1HE TRP 21 -3.488 -3.122 -9.259 157 HE3 TRP 21 3HE TRP 21 0.014 0.393 -7.318 158 HZ2 TRP 21 2HZ TRP 21 -4.744 -1.071 -7.456 159 HZ3 TRP 21 3HZ TRP 21 -1.717 1.601 -5.922 160 HH2 TRP 21 2HH TRP 21 -3.983 0.797 -5.902 161 H ASP 22 H ASP 22 2.122 0.762 -10.869 162 HA ASP 22 HA ASP 22 4.825 0.021 -11.923 163 HB2 ASP 22 2HB ASP 22 3.784 2.630 -10.767 164 HB3 ASP 22 3HB ASP 22 5.467 2.314 -11.152 165 H VAL 23 H VAL 23 6.495 0.652 -10.135 166 HA VAL 23 HA VAL 23 5.799 -0.361 -7.516 167 HB VAL 23 HB VAL 23 8.249 -1.308 -9.084 168 HG11 VAL 23 1HG1 VAL 23 7.843 -1.317 -6.050 169 HG12 VAL 23 2HG1 VAL 23 9.144 -2.163 -6.917 170 HG13 VAL 23 3HG1 VAL 23 9.084 -0.393 -6.930 171 HG21 VAL 23 1HG2 VAL 23 6.196 -2.752 -9.090 172 HG22 VAL 23 2HG2 VAL 23 7.558 -3.505 -8.231 173 HG23 VAL 23 3HG2 VAL 23 6.247 -2.736 -7.303 174 H LEU 24 H LEU 24 5.780 1.389 -6.658 175 HA LEU 24 HA LEU 24 7.783 3.493 -7.526 176 HB2 LEU 24 2HB LEU 24 4.908 3.658 -7.199 177 HB3 LEU 24 3HB LEU 24 5.577 4.447 -5.964 178 HG LEU 24 HG LEU 24 5.073 6.015 -7.716 179 HD11 LEU 24 1HD1 LEU 24 7.164 7.126 -8.066 180 HD12 LEU 24 2HD1 LEU 24 8.077 5.609 -7.885 181 HD13 LEU 24 3HD1 LEU 24 7.243 6.309 -6.484 182 HD21 LEU 24 1HD2 LEU 24 6.000 5.827 -10.000 183 HD22 LEU 24 2HD2 LEU 24 4.994 4.424 -9.587 184 HD23 LEU 24 3HD2 LEU 24 6.767 4.280 -9.573 185 H GLN 25 H GLN 25 8.970 4.495 -6.102 186 HA GLN 25 HA GLN 25 8.466 3.843 -3.238 187 HB2 GLN 25 2HB GLN 25 11.175 4.414 -4.543 188 HB3 GLN 25 3HB GLN 25 10.885 4.217 -2.802 189 HG2 GLN 25 2HG GLN 25 10.351 2.088 -4.956 190 HG3 GLN 25 3HG GLN 25 11.803 2.158 -3.976 191 HE21 GLN 25 1HE2 GLN 25 8.691 0.759 -4.167 192 HE22 GLN 25 2HE2 GLN 25 8.564 0.268 -2.517 193 H THR 26 H THR 26 6.976 5.523 -3.402 194 HA THR 26 HA THR 26 8.290 8.064 -2.686 195 HB THR 26 HB THR 26 7.510 8.307 -4.962 196 HG1 THR 26 1HG THR 26 6.339 10.215 -4.572 197 HG21 THR 26 1HG2 THR 26 5.536 6.760 -5.015 198 HG22 THR 26 2HG2 THR 26 5.159 8.391 -5.569 199 HG23 THR 26 3HG2 THR 26 4.685 7.902 -3.933 200 H THR 27 H THR 27 6.197 9.507 -1.671 201 HA THR 27 HA THR 27 5.004 7.850 0.486 202 HB THR 27 HB THR 27 5.710 9.810 2.053 203 HG1 THR 27 1HG THR 27 7.647 10.795 1.470 204 HG21 THR 27 1HG2 THR 27 6.484 7.546 2.463 205 HG22 THR 27 2HG2 THR 27 7.872 8.624 2.599 206 HG23 THR 27 3HG2 THR 27 7.660 7.628 1.137 207 H CYS 28 H CYS 28 3.125 8.715 1.137 208 HA CYS 28 HA CYS 28 2.035 11.066 -0.352 209 HB2 CYS 28 2HB CYS 28 1.115 9.215 -1.225 210 HB3 CYS 28 3HB CYS 28 1.103 8.302 0.270 211 HG CYS 28 HG CYS 28 -0.945 10.548 -1.054 212 H THR 29 H THR 29 0.360 12.204 0.686 213 HA THR 29 HA THR 29 0.521 12.004 3.618 214 HB THR 29 HB THR 29 0.324 14.675 2.068 215 HG1 THR 29 1HG THR 29 2.358 14.690 1.857 216 HG21 THR 29 1HG2 THR 29 1.145 15.692 4.171 217 HG22 THR 29 2HG2 THR 29 1.064 14.111 4.979 218 HG23 THR 29 3HG2 THR 29 -0.410 14.890 4.409 219 H VAL 30 H VAL 30 -1.261 11.760 4.554 220 HA VAL 30 HA VAL 30 -3.788 13.135 3.904 221 HB VAL 30 HB VAL 30 -3.714 10.047 3.547 222 HG11 VAL 30 1HG1 VAL 30 -6.049 12.063 3.390 223 HG12 VAL 30 2HG1 VAL 30 -6.098 10.417 2.772 224 HG13 VAL 30 3HG1 VAL 30 -5.863 10.662 4.496 225 HG21 VAL 30 1HG2 VAL 30 -4.544 10.556 1.238 226 HG22 VAL 30 2HG2 VAL 30 -4.241 12.258 1.478 227 HG23 VAL 30 3HG2 VAL 30 -2.892 11.101 1.500 228 H ASP 31 H ASP 31 -5.399 12.873 5.558 229 HA ASP 31 HA ASP 31 -6.412 12.920 7.635 230 HB2 ASP 31 2HB ASP 31 -4.822 10.152 7.623 231 HB3 ASP 31 3HB ASP 31 -5.188 10.855 9.127 232 H ARG 32 H ARG 32 -3.495 14.119 7.110 233 HA ARG 32 HA ARG 32 -1.921 15.402 8.090 234 HB2 ARG 32 2HB ARG 32 -3.198 14.853 10.920 235 HB3 ARG 32 3HB ARG 32 -2.120 16.025 10.415 236 HG2 ARG 32 2HG ARG 32 -3.614 17.419 9.252 237 HG3 ARG 32 3HG ARG 32 -4.774 16.061 9.093 238 HD2 ARG 32 2HD ARG 32 -4.069 17.266 11.758 239 HD3 ARG 32 3HD ARG 32 -5.477 17.764 10.774 240 HE ARG 32 HE ARG 32 -5.700 15.018 10.957 241 HH11 ARG 32 1HH1 ARG 32 -6.068 16.357 14.709 242 HH12 ARG 32 2HH1 ARG 32 -5.672 17.564 13.482 243 HH21 ARG 32 1HH2 ARG 32 -6.547 14.326 14.217 244 HH22 ARG 32 2HH2 ARG 32 -6.517 13.720 12.564 245 H LYS 33 H LYS 33 -1.851 12.582 7.518 246 HA LYS 33 HA LYS 33 0.472 11.719 9.124 247 HB2 LYS 33 2HB LYS 33 -2.097 10.417 8.905 248 HB3 LYS 33 3HB LYS 33 -1.060 9.511 7.871 249 HG2 LYS 33 2HG LYS 33 -0.232 10.273 10.724 250 HG3 LYS 33 3HG LYS 33 -1.343 9.017 10.375 251 HD2 LYS 33 2HD LYS 33 1.491 9.045 9.284 252 HD3 LYS 33 3HD LYS 33 0.997 8.213 10.780 253 HE2 LYS 33 2HE LYS 33 -0.150 7.625 8.032 254 HE3 LYS 33 3HE LYS 33 1.131 6.659 8.823 255 HZ1 LYS 33 1HZ LYS 33 -1.648 6.909 9.728 256 HZ2 LYS 33 2HZ LYS 33 -0.411 6.221 10.606 257 HZ3 LYS 33 3HZ LYS 33 -0.828 5.568 9.188 258 H VAL 34 H VAL 34 1.659 10.095 7.850 259 HA VAL 34 HA VAL 34 1.596 10.553 4.968 260 HB VAL 34 HB VAL 34 3.898 10.855 6.796 261 HG11 VAL 34 1HG1 VAL 34 4.158 10.475 3.751 262 HG12 VAL 34 2HG1 VAL 34 5.476 10.955 4.836 263 HG13 VAL 34 3HG1 VAL 34 4.754 9.356 4.997 264 HG21 VAL 34 1HG2 VAL 34 4.356 12.957 5.583 265 HG22 VAL 34 2HG2 VAL 34 2.946 12.650 4.539 266 HG23 VAL 34 3HG2 VAL 34 2.752 12.930 6.291 267 H TYR 35 H TYR 35 1.953 8.824 3.799 268 HA TYR 35 HA TYR 35 2.385 6.178 5.195 269 HB2 TYR 35 2HB TYR 35 0.596 6.870 2.820 270 HB3 TYR 35 3HB TYR 35 0.764 5.302 3.626 271 HD1 TYR 35 1HD TYR 35 -0.838 8.587 3.764 272 HD2 TYR 35 2HD TYR 35 0.082 4.961 5.880 273 HE1 TYR 35 1HE TYR 35 -2.652 9.130 5.417 274 HE2 TYR 35 2HE TYR 35 -1.851 5.418 7.449 275 HH TYR 35 HH TYR 35 -3.867 8.338 7.269 276 H LYS 36 H LYS 36 3.713 4.731 4.069 277 HA LYS 36 HA LYS 36 5.185 6.009 1.813 278 HB2 LYS 36 2HB LYS 36 6.246 3.486 2.680 279 HB3 LYS 36 3HB LYS 36 6.953 5.034 2.454 280 HG2 LYS 36 2HG LYS 36 6.479 5.810 4.639 281 HG3 LYS 36 3HG LYS 36 5.540 4.353 5.015 282 HD2 LYS 36 2HD LYS 36 7.681 4.025 6.042 283 HD3 LYS 36 3HD LYS 36 7.545 2.940 4.668 284 HE2 LYS 36 2HE LYS 36 9.710 3.751 4.404 285 HE3 LYS 36 3HE LYS 36 8.799 4.805 3.316 286 HZ1 LYS 36 1HZ LYS 36 10.053 5.394 5.872 287 HZ2 LYS 36 2HZ LYS 36 8.711 6.216 5.578 288 HZ3 LYS 36 3HZ LYS 36 9.997 6.308 4.500 289 H THR 37 H THR 37 5.072 5.403 -0.160 290 HA THR 37 HA THR 37 2.927 3.577 -0.920 291 HB THR 37 HB THR 37 3.115 4.377 -3.125 292 HG1 THR 37 1HG THR 37 5.548 5.453 -2.242 293 HG21 THR 37 1HG2 THR 37 3.026 6.842 -2.947 294 HG22 THR 37 2HG2 THR 37 3.709 6.775 -1.325 295 HG23 THR 37 3HG2 THR 37 2.116 6.094 -1.649 296 H ILE 38 H ILE 38 3.228 1.763 -2.222 297 HA ILE 38 HA ILE 38 6.074 0.840 -2.656 298 HB ILE 38 HB ILE 38 3.741 -1.055 -3.044 299 HG12 ILE 38 2HG1 ILE 38 4.599 -0.164 -0.207 300 HG13 ILE 38 3HG1 ILE 38 3.000 -0.043 -0.925 301 HG21 ILE 38 1HG2 ILE 38 5.592 -2.597 -2.109 302 HG22 ILE 38 2HG2 ILE 38 6.338 -1.519 -3.277 303 HG23 ILE 38 3HG2 ILE 38 6.513 -1.193 -1.557 304 HD11 ILE 38 1HD1 ILE 38 2.789 -2.463 -1.149 305 HD12 ILE 38 2HD1 ILE 38 4.354 -2.688 -0.357 306 HD13 ILE 38 3HD1 ILE 38 3.012 -1.955 0.542 307 H CYS 39 H CYS 39 2.940 1.237 -4.061 308 HA CYS 39 HA CYS 39 3.968 0.953 -6.772 309 HB2 CYS 39 2HB CYS 39 2.283 -1.059 -7.084 310 HB3 CYS 39 3HB CYS 39 3.630 -1.208 -6.714 311 HG CYS 39 HG CYS 39 0.890 -0.612 -4.820 312 H LYS 40 H LYS 40 2.772 1.937 -8.246 313 HA LYS 40 HA LYS 40 0.175 2.831 -7.417 314 HB2 LYS 40 2HB LYS 40 1.447 4.691 -7.062 315 HB3 LYS 40 3HB LYS 40 2.656 4.257 -8.222 316 HG2 LYS 40 2HG LYS 40 -0.014 5.323 -9.127 317 HG3 LYS 40 3HG LYS 40 1.341 6.295 -8.584 318 HD2 LYS 40 2HD LYS 40 2.447 6.211 -10.465 319 HD3 LYS 40 3HD LYS 40 2.384 4.450 -10.470 320 HE2 LYS 40 2HE LYS 40 0.191 4.479 -11.550 321 HE3 LYS 40 3HE LYS 40 0.088 6.234 -11.406 322 HZ1 LYS 40 1HZ LYS 40 0.817 5.274 -13.616 323 HZ2 LYS 40 2HZ LYS 40 2.214 4.816 -12.933 324 HZ3 LYS 40 3HZ LYS 40 1.853 6.430 -13.025 325 H ARG 41 H ARG 41 -1.375 3.216 -8.725 326 HA ARG 41 HA ARG 41 -1.031 2.635 -11.558 327 HB2 ARG 41 2HB ARG 41 -1.584 0.429 -10.397 328 HB3 ARG 41 3HB ARG 41 -3.199 1.151 -10.057 329 HG2 ARG 41 2HG ARG 41 -3.165 1.590 -12.672 330 HG3 ARG 41 3HG ARG 41 -1.832 0.537 -12.727 331 HD2 ARG 41 2HD ARG 41 -3.267 -1.101 -11.348 332 HD3 ARG 41 3HD ARG 41 -4.649 -0.060 -11.657 333 HE ARG 41 HE ARG 41 -3.569 -0.661 -14.178 334 HH11 ARG 41 1HH1 ARG 41 -5.572 -3.872 -12.764 335 HH12 ARG 41 2HH1 ARG 41 -4.939 -2.762 -11.598 336 HH21 ARG 41 1HH2 ARG 41 -5.455 -3.444 -14.907 337 HH22 ARG 41 2HH2 ARG 41 -4.458 -2.182 -15.539 338 H GLY 42 H GLY 42 -1.978 4.196 -12.447 339 HA2 GLY 42 2HA GLY 42 -3.624 5.842 -12.904 340 HA3 GLY 42 3HA GLY 42 -4.698 5.093 -11.784 341 H ASN 43 H ASN 43 -5.331 6.531 -10.469 342 HA ASN 43 HA ASN 43 -3.553 8.548 -9.215 343 HB2 ASN 43 2HB ASN 43 -5.647 9.415 -8.234 344 HB3 ASN 43 3HB ASN 43 -5.679 9.286 -10.013 345 HD21 ASN 43 1HD2 ASN 43 -6.282 6.334 -8.026 346 HD22 ASN 43 2HD2 ASN 43 -8.029 6.418 -8.328 347 H THR 44 H THR 44 -3.973 5.356 -8.720 348 HA THR 44 HA THR 44 -4.161 5.595 -5.721 349 HB THR 44 HB THR 44 -5.895 4.307 -6.464 350 HG1 THR 44 1HG THR 44 -3.942 2.669 -5.273 351 HG21 THR 44 1HG2 THR 44 -4.067 2.426 -7.881 352 HG22 THR 44 2HG2 THR 44 -5.513 3.281 -8.463 353 HG23 THR 44 3HG2 THR 44 -5.697 1.984 -7.303 354 H TYR 45 H TYR 45 -2.846 4.309 -4.362 355 HA TYR 45 HA TYR 45 -0.122 3.856 -5.082 356 HB2 TYR 45 2HB TYR 45 -1.023 6.215 -3.367 357 HB3 TYR 45 3HB TYR 45 0.583 5.493 -3.323 358 HD1 TYR 45 1HD TYR 45 2.277 6.122 -4.918 359 HD2 TYR 45 2HD TYR 45 -1.853 7.169 -5.535 360 HE1 TYR 45 1HE TYR 45 2.993 7.760 -6.598 361 HE2 TYR 45 2HE TYR 45 -1.147 8.832 -7.297 362 HH TYR 45 HH TYR 45 2.294 9.423 -8.075 363 H LEU 46 H LEU 46 -0.116 2.051 -4.075 364 HA LEU 46 HA LEU 46 -1.813 1.474 -1.712 365 HB2 LEU 46 2HB LEU 46 -0.571 0.049 -3.942 366 HB3 LEU 46 3HB LEU 46 0.277 -0.281 -2.604 367 HG LEU 46 HG LEU 46 -1.392 -2.015 -2.962 368 HD11 LEU 46 1HD1 LEU 46 -2.477 -0.528 -0.566 369 HD12 LEU 46 2HD1 LEU 46 -1.297 -1.835 -0.570 370 HD13 LEU 46 3HD1 LEU 46 -2.987 -2.148 -1.137 371 HD21 LEU 46 1HD2 LEU 46 -2.914 -0.445 -4.182 372 HD22 LEU 46 2HD2 LEU 46 -3.477 0.197 -2.601 373 HD23 LEU 46 3HD2 LEU 46 -3.761 -1.506 -3.087 374 H CYS 47 H CYS 47 -1.017 2.015 0.269 375 HA CYS 47 HA CYS 47 1.907 2.356 0.586 376 HB2 CYS 47 2HB CYS 47 -0.185 4.030 2.045 377 HB3 CYS 47 3HB CYS 47 1.545 4.356 1.851 378 HG CYS 47 HG CYS 47 -0.297 5.985 0.516 379 H PHE 48 H PHE 48 2.638 2.286 2.886 380 HA PHE 48 HA PHE 48 0.888 0.631 4.590 381 HB2 PHE 48 2HB PHE 48 2.476 -1.021 4.927 382 HB3 PHE 48 3HB PHE 48 2.391 -0.816 3.194 383 HD1 PHE 48 1HD PHE 48 4.216 0.551 2.023 384 HD2 PHE 48 2HD PHE 48 4.520 -0.935 6.043 385 HE1 PHE 48 1HE PHE 48 6.686 0.690 1.876 386 HE2 PHE 48 2HE PHE 48 6.971 -0.830 5.914 387 HZ PHE 48 HZ PHE 48 8.098 -0.007 3.830 388 H ASP 49 H ASP 49 1.419 0.451 6.764 389 HA ASP 49 HA ASP 49 3.366 2.471 7.764 390 HB2 ASP 49 2HB ASP 49 0.831 1.798 9.226 391 HB3 ASP 49 3HB ASP 49 2.085 2.866 9.783 392 H ASP 50 H ASP 50 2.916 1.617 10.421 393 HA ASP 50 HA ASP 50 4.524 -0.684 10.459 394 HB2 ASP 50 2HB ASP 50 3.129 0.594 12.860 395 HB3 ASP 50 3HB ASP 50 4.655 -0.331 12.881 396 H THR 51 H THR 51 1.178 -0.485 10.384 397 HA THR 51 HA THR 51 0.693 -2.974 11.996 398 HB THR 51 HB THR 51 -1.591 -2.011 12.223 399 HG1 THR 51 1HG THR 51 -2.083 -0.640 10.742 400 HG21 THR 51 1HG2 THR 51 0.199 -1.316 13.862 401 HG22 THR 51 2HG2 THR 51 -1.108 -0.124 13.620 402 HG23 THR 51 3HG2 THR 51 0.462 0.137 12.852 403 H ASN 52 H ASN 52 0.540 -1.901 8.689 404 HA ASN 52 HA ASN 52 -0.936 -3.619 7.333 405 HB2 ASN 52 2HB ASN 52 -3.154 -2.696 7.291 406 HB3 ASN 52 3HB ASN 52 -2.907 -3.568 8.739 407 HD21 ASN 52 1HD2 ASN 52 -2.873 -0.241 7.362 408 HD22 ASN 52 2HD2 ASN 52 -3.334 0.542 8.863 409 H LEU 53 H LEU 53 -2.540 -2.207 5.805 410 HA LEU 53 HA LEU 53 -0.839 -0.187 4.513 411 HB2 LEU 53 2HB LEU 53 -2.328 -2.596 3.419 412 HB3 LEU 53 3HB LEU 53 -1.784 -1.300 2.370 413 HG LEU 53 HG LEU 53 0.485 -1.783 3.975 414 HD11 LEU 53 1HD1 LEU 53 -0.836 -4.411 3.256 415 HD12 LEU 53 2HD1 LEU 53 -0.539 -3.791 4.899 416 HD13 LEU 53 3HD1 LEU 53 0.829 -4.149 3.825 417 HD21 LEU 53 1HD2 LEU 53 0.614 -1.519 1.528 418 HD22 LEU 53 2HD2 LEU 53 -0.125 -3.143 1.378 419 HD23 LEU 53 3HD2 LEU 53 1.466 -2.963 2.158 420 H TYR 54 H TYR 54 -2.077 0.859 2.666 421 HA TYR 54 HA TYR 54 -4.810 1.457 3.295 422 HB2 TYR 54 2HB TYR 54 -2.989 3.879 3.343 423 HB3 TYR 54 3HB TYR 54 -4.667 3.755 3.695 424 HD1 TYR 54 1HD TYR 54 -5.270 4.024 5.873 425 HD2 TYR 54 2HD TYR 54 -1.425 2.276 5.100 426 HE1 TYR 54 1HE TYR 54 -4.901 3.849 8.280 427 HE2 TYR 54 2HE TYR 54 -1.203 1.713 7.500 428 HH TYR 54 HH TYR 54 -3.528 2.945 9.951 429 H ALA 55 H ALA 55 -5.789 2.057 1.269 430 HA ALA 55 HA ALA 55 -3.855 2.683 -0.994 431 HB1 ALA 55 1HB ALA 55 -5.511 0.871 -1.537 432 HB2 ALA 55 2HB ALA 55 -6.839 1.951 -1.051 433 HB3 ALA 55 3HB ALA 55 -5.838 2.350 -2.457 434 H ILE 56 H ILE 56 -3.424 4.718 -1.250 435 HA ILE 56 HA ILE 56 -5.533 6.663 -0.424 436 HB ILE 56 HB ILE 56 -2.618 7.092 -0.937 437 HG12 ILE 56 2HG1 ILE 56 -3.183 8.489 1.315 438 HG13 ILE 56 3HG1 ILE 56 -4.560 7.436 1.406 439 HG21 ILE 56 1HG2 ILE 56 -3.408 9.615 -0.598 440 HG22 ILE 56 2HG2 ILE 56 -3.822 8.908 -2.133 441 HG23 ILE 56 3HG2 ILE 56 -5.041 9.043 -0.841 442 HD11 ILE 56 1HD1 ILE 56 -2.782 6.648 2.798 443 HD12 ILE 56 2HD1 ILE 56 -2.937 5.481 1.476 444 HD13 ILE 56 3HD1 ILE 56 -1.603 6.669 1.485 445 H THR 57 H THR 57 -7.001 6.695 -1.856 446 HA THR 57 HA THR 57 -6.362 6.570 -4.753 447 HB THR 57 HB THR 57 -9.137 6.651 -3.544 448 HG1 THR 57 1HG THR 57 -9.051 4.446 -3.386 449 HG21 THR 57 1HG2 THR 57 -9.666 5.368 -5.588 450 HG22 THR 57 2HG2 THR 57 -7.953 5.369 -6.038 451 HG23 THR 57 3HG2 THR 57 -8.869 6.892 -6.015 452 H GLY 58 H GLY 58 -5.454 8.545 -5.078 453 HA2 GLY 58 2HA GLY 58 -5.358 10.858 -5.513 454 HA3 GLY 58 3HA GLY 58 -7.112 10.911 -5.233 455 H ASP 59 H ASP 59 -7.763 10.838 -2.963 456 HA ASP 59 HA ASP 59 -5.927 11.986 -0.867 457 HB2 ASP 59 2HB ASP 59 -8.457 13.121 -2.079 458 HB3 ASP 59 3HB ASP 59 -7.895 13.628 -0.512 459 H VAL 60 H VAL 60 -7.881 9.553 -1.606 460 HA VAL 60 HA VAL 60 -9.602 9.445 0.836 461 HB VAL 60 HB VAL 60 -9.546 7.768 -1.716 462 HG11 VAL 60 1HG1 VAL 60 -11.381 7.505 0.696 463 HG12 VAL 60 2HG1 VAL 60 -11.674 6.736 -0.878 464 HG13 VAL 60 3HG1 VAL 60 -10.260 6.264 0.070 465 HG21 VAL 60 1HG2 VAL 60 -11.596 9.781 -0.729 466 HG22 VAL 60 2HG2 VAL 60 -10.478 9.997 -2.098 467 HG23 VAL 60 3HG2 VAL 60 -11.750 8.772 -2.186 468 H VAL 61 H VAL 61 -8.344 8.769 2.485 469 HA VAL 61 HA VAL 61 -6.457 6.554 2.072 470 HB VAL 61 HB VAL 61 -5.935 8.362 3.497 471 HG11 VAL 61 1HG1 VAL 61 -6.819 8.681 5.719 472 HG12 VAL 61 2HG1 VAL 61 -8.196 8.718 4.606 473 HG13 VAL 61 3HG1 VAL 61 -7.868 7.258 5.580 474 HG21 VAL 61 1HG2 VAL 61 -4.860 6.137 3.783 475 HG22 VAL 61 2HG2 VAL 61 -4.936 7.010 5.321 476 HG23 VAL 61 3HG2 VAL 61 -6.091 5.720 4.999 477 H LEU 62 H LEU 62 -7.157 4.676 1.707 478 HA LEU 62 HA LEU 62 -9.416 3.548 3.330 479 HB2 LEU 62 2HB LEU 62 -9.927 3.556 1.103 480 HB3 LEU 62 3HB LEU 62 -8.392 3.019 0.549 481 HG LEU 62 HG LEU 62 -8.835 0.755 1.008 482 HD11 LEU 62 1HD1 LEU 62 -9.448 0.606 3.332 483 HD12 LEU 62 2HD1 LEU 62 -10.793 -0.055 2.435 484 HD13 LEU 62 3HD1 LEU 62 -10.913 1.592 3.086 485 HD21 LEU 62 1HD2 LEU 62 -11.090 0.349 0.141 486 HD22 LEU 62 2HD2 LEU 62 -10.366 1.759 -0.672 487 HD23 LEU 62 3HD2 LEU 62 -11.569 1.996 0.624 488 H LYS 63 H LYS 63 -8.245 3.257 5.078 489 HA LYS 63 HA LYS 63 -6.008 1.586 5.503 490 HB2 LYS 63 2HB LYS 63 -6.695 1.383 7.796 491 HB3 LYS 63 3HB LYS 63 -6.945 3.037 7.232 492 HG2 LYS 63 2HG LYS 63 -9.381 2.595 6.993 493 HG3 LYS 63 3HG LYS 63 -9.157 0.973 7.654 494 HD2 LYS 63 2HD LYS 63 -8.398 3.516 9.142 495 HD3 LYS 63 3HD LYS 63 -9.961 2.732 9.293 496 HE2 LYS 63 2HE LYS 63 -7.761 0.811 9.666 497 HE3 LYS 63 3HE LYS 63 -7.610 2.177 10.769 498 HZ1 LYS 63 1HZ LYS 63 -10.065 0.525 10.512 499 HZ2 LYS 63 2HZ LYS 63 -9.825 1.772 11.587 500 HZ3 LYS 63 3HZ LYS 63 -8.972 0.392 11.714 501 H PHE 64 H PHE 64 -5.563 -0.484 5.203 502 HA PHE 64 HA PHE 64 -7.692 -2.475 4.664 503 HB2 PHE 64 2HB PHE 64 -4.702 -2.601 4.513 504 HB3 PHE 64 3HB PHE 64 -5.698 -3.923 4.326 505 HD1 PHE 64 1HD PHE 64 -4.109 -1.307 2.607 506 HD2 PHE 64 2HD PHE 64 -7.794 -3.529 2.576 507 HE1 PHE 64 1HE PHE 64 -4.486 -0.655 0.262 508 HE2 PHE 64 2HE PHE 64 -8.126 -2.929 0.220 509 HZ PHE 64 HZ PHE 64 -6.441 -1.484 -0.965 510 H ALA 65 H ALA 65 -8.472 -3.650 6.457 511 HA ALA 65 HA ALA 65 -7.366 -3.639 9.086 512 HB1 ALA 65 1HB ALA 65 -9.734 -4.251 8.482 513 HB2 ALA 65 2HB ALA 65 -9.101 -5.763 7.745 514 HB3 ALA 65 3HB ALA 65 -8.918 -5.485 9.463 515 H THR 66 H THR 66 -5.626 -4.993 6.485 516 HA THR 66 HA THR 66 -4.232 -6.812 8.198 517 HB THR 66 HB THR 66 -4.867 -8.036 5.610 518 HG1 THR 66 1HG THR 66 -6.760 -7.978 7.752 519 HG21 THR 66 1HG2 THR 66 -5.162 -10.085 6.864 520 HG22 THR 66 2HG2 THR 66 -4.975 -9.204 8.400 521 HG23 THR 66 3HG2 THR 66 -3.612 -9.312 7.258 522 H VAL 67 H VAL 67 -2.512 -7.584 6.920 523 HA VAL 67 HA VAL 67 -1.628 -5.749 4.869 524 HB VAL 67 HB VAL 67 -0.476 -8.509 5.336 525 HG11 VAL 67 1HG1 VAL 67 0.605 -5.708 5.094 526 HG12 VAL 67 2HG1 VAL 67 1.466 -7.177 4.702 527 HG13 VAL 67 3HG1 VAL 67 0.101 -6.634 3.619 528 HG21 VAL 67 1HG2 VAL 67 1.186 -7.528 6.738 529 HG22 VAL 67 2HG2 VAL 67 0.203 -6.074 7.029 530 HG23 VAL 67 3HG2 VAL 67 -0.364 -7.677 7.638 531 H SER 68 H SER 68 -2.650 -9.244 4.954 532 HA SER 68 HA SER 68 -2.456 -9.905 2.348 533 HB2 SER 68 2HB SER 68 -4.833 -10.881 3.912 534 HB3 SER 68 3HB SER 68 -3.686 -11.808 2.919 535 HG SER 68 HG SER 68 -2.994 -12.255 5.004 536 H LYS 69 H LYS 69 -5.030 -7.877 3.638 537 HA LYS 69 HA LYS 69 -6.891 -7.919 1.504 538 HB2 LYS 69 2HB LYS 69 -5.916 -5.470 2.999 539 HB3 LYS 69 3HB LYS 69 -7.517 -5.774 2.318 540 HG2 LYS 69 2HG LYS 69 -6.955 -7.771 4.352 541 HG3 LYS 69 3HG LYS 69 -6.404 -6.183 4.934 542 HD2 LYS 69 2HD LYS 69 -8.633 -6.285 5.653 543 HD3 LYS 69 3HD LYS 69 -8.632 -5.286 4.171 544 HE2 LYS 69 2HE LYS 69 -8.817 -7.747 3.039 545 HE3 LYS 69 3HE LYS 69 -9.334 -8.253 4.613 546 HZ1 LYS 69 1HZ LYS 69 -10.713 -6.163 2.999 547 HZ2 LYS 69 2HZ LYS 69 -11.227 -6.700 4.461 548 HZ3 LYS 69 3HZ LYS 69 -11.216 -7.667 3.119 549 H ALA 70 H ALA 70 -4.102 -5.742 1.962 550 HA ALA 70 HA ALA 70 -4.404 -4.161 -0.305 551 HB1 ALA 70 1HB ALA 70 -1.897 -3.855 -0.007 552 HB2 ALA 70 2HB ALA 70 -2.857 -3.705 1.478 553 HB3 ALA 70 3HB ALA 70 -1.902 -5.172 1.146 554 H ARG 71 H ARG 71 -3.400 -7.505 -0.365 555 HA ARG 71 HA ARG 71 -2.054 -7.380 -2.963 556 HB2 ARG 71 2HB ARG 71 -1.908 -9.143 -0.873 557 HB3 ARG 71 3HB ARG 71 -3.123 -9.947 -1.724 558 HG2 ARG 71 2HG ARG 71 -1.700 -10.655 -3.388 559 HG3 ARG 71 3HG ARG 71 -0.875 -9.095 -3.474 560 HD2 ARG 71 2HD ARG 71 0.739 -10.644 -2.815 561 HD3 ARG 71 3HD ARG 71 0.419 -9.664 -1.362 562 HE ARG 71 HE ARG 71 -1.272 -11.909 -1.239 563 HH11 ARG 71 1HH1 ARG 71 2.580 -12.666 -0.251 564 HH12 ARG 71 2HH1 ARG 71 2.250 -11.473 -1.469 565 HH21 ARG 71 1HH2 ARG 71 0.995 -13.966 0.509 566 HH22 ARG 71 2HH2 ARG 71 -0.636 -13.779 -0.056 567 H ALA 72 H ALA 72 -5.197 -8.346 -1.716 568 HA ALA 72 HA ALA 72 -6.292 -9.147 -4.295 569 HB1 ALA 72 1HB ALA 72 -7.587 -8.485 -1.636 570 HB2 ALA 72 2HB ALA 72 -8.330 -9.388 -2.979 571 HB3 ALA 72 3HB ALA 72 -6.933 -10.095 -2.097 572 H TYR 73 H TYR 73 -5.903 -6.140 -2.512 573 HA TYR 73 HA TYR 73 -7.761 -4.479 -3.986 574 HB2 TYR 73 2HB TYR 73 -6.740 -3.786 -1.925 575 HB3 TYR 73 3HB TYR 73 -5.210 -3.518 -2.872 576 HD1 TYR 73 1HD TYR 73 -5.067 -1.979 -4.881 577 HD2 TYR 73 2HD TYR 73 -8.622 -2.233 -2.224 578 HE1 TYR 73 1HE TYR 73 -6.203 0.214 -5.764 579 HE2 TYR 73 2HE TYR 73 -9.447 -0.029 -3.121 580 HH TYR 73 HH TYR 73 -7.692 1.820 -5.684 581 H LEU 74 H LEU 74 -4.285 -5.292 -4.526 582 HA LEU 74 HA LEU 74 -3.868 -3.709 -6.649 583 HB2 LEU 74 2HB LEU 74 -2.550 -5.752 -5.025 584 HB3 LEU 74 3HB LEU 74 -2.365 -6.162 -6.852 585 HG LEU 74 HG LEU 74 -1.151 -4.060 -7.092 586 HD11 LEU 74 1HD1 LEU 74 -2.096 -3.437 -4.393 587 HD12 LEU 74 2HD1 LEU 74 -2.395 -2.439 -5.811 588 HD13 LEU 74 3HD1 LEU 74 -0.755 -2.508 -5.139 589 HD21 LEU 74 1HD2 LEU 74 -0.316 -5.183 -4.492 590 HD22 LEU 74 2HD2 LEU 74 0.724 -4.311 -5.618 591 HD23 LEU 74 3HD2 LEU 74 0.102 -5.962 -6.072 592 H GLU 75 H GLU 75 -5.249 -6.842 -6.708 593 HA GLU 75 HA GLU 75 -5.433 -6.666 -9.794 594 HB2 GLU 75 2HB GLU 75 -6.302 -8.896 -9.616 595 HB3 GLU 75 3HB GLU 75 -4.737 -8.743 -9.256 596 HG2 GLU 75 2HG GLU 75 -4.935 -9.201 -6.981 597 HG3 GLU 75 3HG GLU 75 -6.780 -8.848 -7.023 598 H THR 76 H THR 76 -7.456 -5.876 -7.001 599 HA THR 76 HA THR 76 -9.905 -6.007 -8.596 600 HB THR 76 HB THR 76 -9.460 -7.725 -6.217 601 HG1 THR 76 1HG THR 76 -9.262 -8.928 -7.909 602 HG21 THR 76 1HG2 THR 76 -11.963 -8.101 -6.420 603 HG22 THR 76 2HG2 THR 76 -12.006 -6.581 -7.440 604 HG23 THR 76 3HG2 THR 76 -11.498 -6.564 -5.741 605 H LYS 77 H LYS 77 -10.928 -4.501 -8.380 606 HA LYS 77 HA LYS 77 -10.167 -2.097 -7.158 607 HB2 LYS 77 2HB LYS 77 -12.331 -2.729 -9.176 608 HB3 LYS 77 3HB LYS 77 -11.704 -1.117 -8.839 609 HG2 LYS 77 2HG LYS 77 -10.795 -1.857 -10.920 610 HG3 LYS 77 3HG LYS 77 -9.469 -1.798 -9.736 611 HD2 LYS 77 2HD LYS 77 -9.375 -4.137 -9.528 612 HD3 LYS 77 3HD LYS 77 -10.978 -4.363 -10.264 613 HE2 LYS 77 2HE LYS 77 -8.237 -3.929 -11.404 614 HE3 LYS 77 3HE LYS 77 -9.332 -5.267 -11.702 615 HZ1 LYS 77 1HZ LYS 77 -9.259 -3.890 -13.628 616 HZ2 LYS 77 2HZ LYS 77 -9.712 -2.520 -12.765 617 HZ3 LYS 77 3HZ LYS 77 -10.718 -3.784 -13.040 Start of MODEL 4 1 H2 SER 1 2H SER 1 3.475 -8.515 16.627 2 H3 SER 1 3H SER 1 2.691 -9.900 16.420 3 HA SER 1 HA SER 1 4.304 -9.432 14.657 4 HB2 SER 1 2HB SER 1 1.406 -9.585 13.784 5 HB3 SER 1 3HB SER 1 2.780 -10.012 12.803 6 HG SER 1 HG SER 1 1.876 -11.834 13.938 7 H HIS 2 H HIS 2 4.813 -8.069 12.678 8 HA HIS 2 HA HIS 2 3.278 -5.820 11.893 9 HB2 HIS 2 2HB HIS 2 4.690 -3.988 12.705 10 HB3 HIS 2 3HB HIS 2 3.694 -4.658 13.955 11 HD1 HIS 2 1HD HIS 2 6.412 -2.940 14.275 12 HD2 HIS 2 2HD HIS 2 5.726 -7.037 15.010 13 HE1 HIS 2 1HE HIS 2 8.099 -3.686 16.007 14 H MET 3 H MET 3 6.752 -5.625 12.376 15 HA MET 3 HA MET 3 7.639 -5.542 9.691 16 HB2 MET 3 2HB MET 3 9.861 -5.997 10.771 17 HB3 MET 3 3HB MET 3 8.950 -4.710 11.529 18 HG2 MET 3 2HG MET 3 10.105 -6.229 13.132 19 HG3 MET 3 3HG MET 3 8.412 -6.026 13.427 20 HE1 MET 3 1HE MET 3 10.536 -9.904 12.149 21 HE2 MET 3 2HE MET 3 10.585 -8.467 11.109 22 HE3 MET 3 3HE MET 3 11.308 -8.415 12.732 23 H THR 4 H THR 4 6.001 -8.115 10.359 24 HA THR 4 HA THR 4 7.815 -9.805 8.732 25 HB THR 4 HB THR 4 7.536 -10.651 11.035 26 HG1 THR 4 1HG THR 4 8.209 -11.882 9.190 27 HG21 THR 4 1HG2 THR 4 5.080 -10.390 11.351 28 HG22 THR 4 2HG2 THR 4 5.721 -12.002 11.704 29 HG23 THR 4 3HG2 THR 4 4.850 -11.730 10.195 30 H ALA 5 H ALA 5 4.421 -9.441 9.616 31 HA ALA 5 HA ALA 5 3.414 -10.528 7.203 32 HB1 ALA 5 1HB ALA 5 1.298 -9.766 8.203 33 HB2 ALA 5 2HB ALA 5 2.375 -10.430 9.477 34 HB3 ALA 5 3HB ALA 5 2.182 -8.672 9.305 35 H VAL 6 H VAL 6 3.766 -7.061 8.271 36 HA VAL 6 HA VAL 6 3.168 -5.840 5.831 37 HB VAL 6 HB VAL 6 3.734 -4.908 8.180 38 HG11 VAL 6 1HG1 VAL 6 5.869 -3.891 8.509 39 HG12 VAL 6 2HG1 VAL 6 6.157 -5.601 8.133 40 HG13 VAL 6 3HG1 VAL 6 6.432 -4.366 6.895 41 HG21 VAL 6 1HG2 VAL 6 2.827 -3.594 6.311 42 HG22 VAL 6 2HG2 VAL 6 4.052 -2.673 7.193 43 HG23 VAL 6 3HG2 VAL 6 4.457 -3.408 5.626 44 H GLN 7 H GLN 7 6.104 -7.622 6.827 45 HA GLN 7 HA GLN 7 7.635 -6.383 4.754 46 HB2 GLN 7 2HB GLN 7 8.409 -7.293 7.069 47 HB3 GLN 7 3HB GLN 7 8.402 -8.890 6.329 48 HG2 GLN 7 2HG GLN 7 10.647 -8.191 6.186 49 HG3 GLN 7 3HG GLN 7 10.024 -7.847 4.569 50 HE21 GLN 7 1HE2 GLN 7 9.051 -5.528 4.327 51 HE22 GLN 7 2HE2 GLN 7 9.205 -4.495 5.638 52 H ASP 8 H ASP 8 6.672 -9.578 5.273 53 HA ASP 8 HA ASP 8 7.105 -10.916 2.820 54 HB2 ASP 8 2HB ASP 8 6.104 -12.096 4.734 55 HB3 ASP 8 3HB ASP 8 4.685 -11.062 4.717 56 H PHE 9 H PHE 9 4.102 -9.128 3.715 57 HA PHE 9 HA PHE 9 3.000 -9.122 1.132 58 HB2 PHE 9 2HB PHE 9 1.704 -8.409 3.217 59 HB3 PHE 9 3HB PHE 9 2.782 -7.021 3.298 60 HD1 PHE 9 1HD PHE 9 0.524 -8.694 0.797 61 HD2 PHE 9 2HD PHE 9 2.482 -5.088 2.057 62 HE1 PHE 9 1HE PHE 9 -0.304 -7.492 -1.227 63 HE2 PHE 9 2HE PHE 9 1.619 -3.910 0.108 64 HZ PHE 9 HZ PHE 9 0.133 -5.089 -1.530 65 H VAL 10 H VAL 10 4.949 -6.510 2.655 66 HA VAL 10 HA VAL 10 4.899 -4.784 0.409 67 HB VAL 10 HB VAL 10 6.872 -4.986 2.686 68 HG11 VAL 10 1HG1 VAL 10 6.977 -2.926 0.446 69 HG12 VAL 10 2HG1 VAL 10 7.803 -2.776 2.011 70 HG13 VAL 10 3HG1 VAL 10 8.253 -4.078 0.907 71 HG21 VAL 10 1HG2 VAL 10 5.767 -2.991 3.460 72 HG22 VAL 10 2HG2 VAL 10 5.006 -2.710 1.885 73 HG23 VAL 10 3HG2 VAL 10 4.442 -4.033 2.896 74 H VAL 11 H VAL 11 7.383 -7.286 1.155 75 HA VAL 11 HA VAL 11 8.998 -6.832 -1.134 76 HB VAL 11 HB VAL 11 8.440 -9.348 0.505 77 HG11 VAL 11 1HG1 VAL 11 10.627 -10.257 -0.310 78 HG12 VAL 11 2HG1 VAL 11 9.387 -10.223 -1.550 79 HG13 VAL 11 3HG1 VAL 11 10.663 -8.981 -1.545 80 HG21 VAL 11 1HG2 VAL 11 9.545 -7.348 1.640 81 HG22 VAL 11 2HG2 VAL 11 10.464 -8.852 1.677 82 HG23 VAL 11 3HG2 VAL 11 10.904 -7.554 0.529 83 H ASP 12 H ASP 12 5.806 -8.283 -1.066 84 HA ASP 12 HA ASP 12 5.910 -9.880 -3.460 85 HB2 ASP 12 2HB ASP 12 4.157 -9.676 -1.490 86 HB3 ASP 12 3HB ASP 12 3.497 -8.341 -2.423 87 H ILE 13 H ILE 13 5.489 -6.480 -2.871 88 HA ILE 13 HA ILE 13 5.115 -5.505 -5.746 89 HB ILE 13 HB ILE 13 5.403 -4.136 -3.107 90 HG12 ILE 13 2HG1 ILE 13 3.124 -3.437 -3.452 91 HG13 ILE 13 3HG1 ILE 13 3.002 -4.396 -4.945 92 HG21 ILE 13 1HG2 ILE 13 4.972 -3.219 -5.986 93 HG22 ILE 13 2HG2 ILE 13 4.751 -2.165 -4.602 94 HG23 ILE 13 3HG2 ILE 13 6.352 -2.796 -4.949 95 HD11 ILE 13 1HD1 ILE 13 2.914 -6.438 -3.678 96 HD12 ILE 13 2HD1 ILE 13 3.340 -5.559 -2.164 97 HD13 ILE 13 3HD1 ILE 13 1.796 -5.288 -2.985 98 H LEU 14 H LEU 14 7.551 -5.486 -3.019 99 HA LEU 14 HA LEU 14 8.902 -3.487 -4.348 100 HB2 LEU 14 2HB LEU 14 8.877 -4.549 -1.778 101 HB3 LEU 14 3HB LEU 14 10.472 -4.958 -2.261 102 HG LEU 14 HG LEU 14 9.162 -2.274 -1.994 103 HD11 LEU 14 1HD1 LEU 14 11.807 -3.293 -0.919 104 HD12 LEU 14 2HD1 LEU 14 10.283 -3.235 -0.022 105 HD13 LEU 14 3HD1 LEU 14 11.057 -1.724 -0.574 106 HD21 LEU 14 1HD2 LEU 14 10.295 -1.917 -4.088 107 HD22 LEU 14 2HD2 LEU 14 11.735 -2.818 -3.542 108 HD23 LEU 14 3HD2 LEU 14 11.356 -1.232 -2.857 109 H LEU 15 H LEU 15 9.947 -6.838 -3.858 110 HA LEU 15 HA LEU 15 12.201 -6.489 -5.780 111 HB2 LEU 15 2HB LEU 15 11.548 -8.633 -3.708 112 HB3 LEU 15 3HB LEU 15 12.756 -8.859 -4.953 113 HG LEU 15 HG LEU 15 14.101 -6.985 -4.159 114 HD11 LEU 15 1HD1 LEU 15 12.057 -6.758 -1.904 115 HD12 LEU 15 2HD1 LEU 15 12.574 -5.491 -3.050 116 HD13 LEU 15 3HD1 LEU 15 13.697 -6.078 -1.837 117 HD21 LEU 15 1HD2 LEU 15 13.414 -9.026 -1.994 118 HD22 LEU 15 2HD2 LEU 15 14.928 -8.106 -2.126 119 HD23 LEU 15 3HD2 LEU 15 14.509 -9.289 -3.367 120 H ASN 16 H ASN 16 9.271 -8.505 -5.152 121 HA ASN 16 HA ASN 16 9.621 -10.110 -7.525 122 HB2 ASN 16 2HB ASN 16 7.284 -9.600 -5.652 123 HB3 ASN 16 3HB ASN 16 7.190 -10.705 -7.016 124 HD21 ASN 16 1HD2 ASN 16 8.494 -10.229 -3.779 125 HD22 ASN 16 2HD2 ASN 16 9.007 -11.897 -3.600 126 H GLY 17 H GLY 17 8.080 -7.002 -6.856 127 HA2 GLY 17 2HA GLY 17 7.324 -5.416 -8.447 128 HA3 GLY 17 3HA GLY 17 7.046 -6.722 -9.627 129 H ALA 18 H ALA 18 5.345 -4.574 -8.375 130 HA ALA 18 HA ALA 18 3.017 -6.010 -7.233 131 HB1 ALA 18 1HB ALA 18 3.172 -3.519 -7.162 132 HB2 ALA 18 2HB ALA 18 3.168 -3.443 -8.948 133 HB3 ALA 18 3HB ALA 18 1.771 -4.011 -8.097 134 H ARG 19 H ARG 19 0.914 -5.863 -8.620 135 HA ARG 19 HA ARG 19 0.994 -7.366 -11.125 136 HB2 ARG 19 2HB ARG 19 -1.324 -5.656 -10.135 137 HB3 ARG 19 3HB ARG 19 -1.278 -7.015 -11.206 138 HG2 ARG 19 2HG ARG 19 -1.284 -6.914 -8.312 139 HG3 ARG 19 3HG ARG 19 -2.470 -7.822 -9.462 140 HD2 ARG 19 2HD ARG 19 -1.342 -9.427 -8.131 141 HD3 ARG 19 3HD ARG 19 -0.817 -9.576 -9.668 142 HE ARG 19 HE ARG 19 1.420 -8.658 -9.226 143 HH11 ARG 19 1HH1 ARG 19 1.039 -9.633 -5.313 144 HH12 ARG 19 2HH1 ARG 19 -0.424 -9.704 -6.236 145 HH21 ARG 19 1HH2 ARG 19 2.866 -9.123 -6.064 146 HH22 ARG 19 2HH2 ARG 19 3.150 -8.851 -7.787 147 H ASP 20 H ASP 20 -0.790 -5.880 -12.334 148 HA ASP 20 HA ASP 20 0.574 -4.412 -14.367 149 HB2 ASP 20 2HB ASP 20 -2.083 -5.321 -13.564 150 HB3 ASP 20 3HB ASP 20 -2.224 -3.674 -13.910 151 H TRP 21 H TRP 21 0.682 -3.266 -11.317 152 HA TRP 21 HA TRP 21 0.190 -0.472 -11.651 153 HB2 TRP 21 2HB TRP 21 1.512 -2.013 -9.319 154 HB3 TRP 21 3HB TRP 21 0.996 -0.393 -9.332 155 HD1 TRP 21 1HD TRP 21 -1.240 -3.451 -10.330 156 HE1 TRP 21 1HE TRP 21 -3.433 -3.251 -9.071 157 HE3 TRP 21 3HE TRP 21 -0.019 0.421 -7.311 158 HZ2 TRP 21 2HZ TRP 21 -4.690 -1.249 -7.344 159 HZ3 TRP 21 3HZ TRP 21 -1.786 1.614 -5.973 160 HH2 TRP 21 2HH TRP 21 -4.056 0.733 -5.931 161 H ASP 22 H ASP 22 2.050 0.888 -10.933 162 HA ASP 22 HA ASP 22 4.735 0.349 -12.050 163 HB2 ASP 22 2HB ASP 22 3.504 2.743 -10.655 164 HB3 ASP 22 3HB ASP 22 5.228 2.596 -10.930 165 H VAL 23 H VAL 23 6.394 1.017 -10.137 166 HA VAL 23 HA VAL 23 5.746 -0.117 -7.589 167 HB VAL 23 HB VAL 23 8.286 -0.931 -9.193 168 HG11 VAL 23 1HG1 VAL 23 9.204 -1.857 -7.095 169 HG12 VAL 23 2HG1 VAL 23 9.051 -0.075 -7.008 170 HG13 VAL 23 3HG1 VAL 23 7.866 -1.128 -6.199 171 HG21 VAL 23 1HG2 VAL 23 6.336 -2.497 -9.351 172 HG22 VAL 23 2HG2 VAL 23 7.731 -3.204 -8.465 173 HG23 VAL 23 3HG2 VAL 23 6.342 -2.578 -7.587 174 H LEU 24 H LEU 24 5.730 1.609 -6.685 175 HA LEU 24 HA LEU 24 7.707 3.750 -7.554 176 HB2 LEU 24 2HB LEU 24 4.816 3.926 -6.952 177 HB3 LEU 24 3HB LEU 24 5.639 4.644 -5.831 178 HG LEU 24 HG LEU 24 4.932 6.133 -7.631 179 HD11 LEU 24 1HD1 LEU 24 7.904 5.838 -7.889 180 HD12 LEU 24 2HD1 LEU 24 7.096 6.585 -6.488 181 HD13 LEU 24 3HD1 LEU 24 6.935 7.323 -8.126 182 HD21 LEU 24 1HD2 LEU 24 4.806 4.458 -9.412 183 HD22 LEU 24 2HD2 LEU 24 6.608 4.419 -9.470 184 HD23 LEU 24 3HD2 LEU 24 5.731 5.891 -9.927 185 H GLN 25 H GLN 25 8.906 4.500 -6.115 186 HA GLN 25 HA GLN 25 8.711 3.811 -3.107 187 HB2 GLN 25 2HB GLN 25 11.219 4.407 -4.555 188 HB3 GLN 25 3HB GLN 25 10.965 4.205 -2.838 189 HG2 GLN 25 2HG GLN 25 10.372 2.071 -5.131 190 HG3 GLN 25 3HG GLN 25 11.878 2.166 -4.263 191 HE21 GLN 25 1HE2 GLN 25 8.421 1.182 -4.072 192 HE22 GLN 25 2HE2 GLN 25 8.737 0.191 -2.663 193 H THR 26 H THR 26 7.126 5.485 -2.993 194 HA THR 26 HA THR 26 8.511 7.880 -2.323 195 HB THR 26 HB THR 26 7.758 8.311 -4.607 196 HG1 THR 26 1HG THR 26 6.576 10.251 -4.029 197 HG21 THR 26 1HG2 THR 26 5.386 8.580 -5.173 198 HG22 THR 26 2HG2 THR 26 4.873 8.003 -3.593 199 HG23 THR 26 3HG2 THR 26 5.697 6.916 -4.752 200 H THR 27 H THR 27 6.444 9.416 -1.227 201 HA THR 27 HA THR 27 4.962 7.720 0.649 202 HB THR 27 HB THR 27 5.555 9.185 2.523 203 HG1 THR 27 1HG THR 27 6.293 10.869 0.963 204 HG21 THR 27 1HG2 THR 27 7.762 8.383 3.053 205 HG22 THR 27 2HG2 THR 27 8.092 8.060 1.343 206 HG23 THR 27 3HG2 THR 27 6.907 7.063 2.215 207 H CYS 28 H CYS 28 3.058 8.716 1.219 208 HA CYS 28 HA CYS 28 2.193 11.086 -0.323 209 HB2 CYS 28 2HB CYS 28 1.157 9.314 -1.215 210 HB3 CYS 28 3HB CYS 28 1.162 8.316 0.240 211 HG CYS 28 HG CYS 28 -0.892 10.607 -1.022 212 H THR 29 H THR 29 0.372 12.195 0.635 213 HA THR 29 HA THR 29 0.450 12.164 3.577 214 HB THR 29 HB THR 29 0.146 14.710 1.870 215 HG1 THR 29 1HG THR 29 2.241 14.994 1.823 216 HG21 THR 29 1HG2 THR 29 -0.675 15.034 4.143 217 HG22 THR 29 2HG2 THR 29 0.853 15.893 3.952 218 HG23 THR 29 3HG2 THR 29 0.817 14.347 4.814 219 H VAL 30 H VAL 30 -1.309 11.888 4.535 220 HA VAL 30 HA VAL 30 -3.819 13.204 3.755 221 HB VAL 30 HB VAL 30 -3.733 10.144 3.622 222 HG11 VAL 30 1HG1 VAL 30 -5.775 10.656 4.740 223 HG12 VAL 30 2HG1 VAL 30 -6.088 12.072 3.686 224 HG13 VAL 30 3HG1 VAL 30 -6.197 10.439 3.042 225 HG21 VAL 30 1HG2 VAL 30 -3.107 11.051 1.471 226 HG22 VAL 30 2HG2 VAL 30 -4.757 10.468 1.368 227 HG23 VAL 30 3HG2 VAL 30 -4.463 12.209 1.508 228 H ASP 31 H ASP 31 -5.371 13.249 5.451 229 HA ASP 31 HA ASP 31 -6.208 13.382 7.528 230 HB2 ASP 31 2HB ASP 31 -5.261 10.664 7.246 231 HB3 ASP 31 3HB ASP 31 -4.804 11.134 8.800 232 H ARG 32 H ARG 32 -3.334 14.322 7.068 233 HA ARG 32 HA ARG 32 -1.716 15.524 8.171 234 HB2 ARG 32 2HB ARG 32 -3.044 14.938 10.851 235 HB3 ARG 32 3HB ARG 32 -1.805 16.133 10.509 236 HG2 ARG 32 2HG ARG 32 -3.200 17.583 9.436 237 HG3 ARG 32 3HG ARG 32 -4.407 16.401 8.965 238 HD2 ARG 32 2HD ARG 32 -3.981 17.214 11.859 239 HD3 ARG 32 3HD ARG 32 -5.213 17.902 10.777 240 HE ARG 32 HE ARG 32 -5.245 14.996 10.822 241 HH11 ARG 32 1HH1 ARG 32 -7.922 16.960 13.059 242 HH12 ARG 32 2HH1 ARG 32 -6.509 17.842 12.525 243 HH21 ARG 32 1HH2 ARG 32 -8.194 14.730 12.559 244 HH22 ARG 32 2HH2 ARG 32 -7.016 13.967 11.540 245 H LYS 33 H LYS 33 -1.792 12.707 7.545 246 HA LYS 33 HA LYS 33 0.374 11.632 9.223 247 HB2 LYS 33 2HB LYS 33 -2.293 10.523 8.646 248 HB3 LYS 33 3HB LYS 33 -1.138 9.623 7.748 249 HG2 LYS 33 2HG LYS 33 -0.939 10.262 10.699 250 HG3 LYS 33 3HG LYS 33 -1.762 8.871 10.053 251 HD2 LYS 33 2HD LYS 33 1.212 9.238 9.567 252 HD3 LYS 33 3HD LYS 33 0.560 8.350 10.937 253 HE2 LYS 33 2HE LYS 33 -0.144 7.746 8.036 254 HE3 LYS 33 3HE LYS 33 1.086 6.814 8.934 255 HZ1 LYS 33 1HZ LYS 33 -1.792 6.827 9.423 256 HZ2 LYS 33 2HZ LYS 33 -0.675 6.284 10.551 257 HZ3 LYS 33 3HZ LYS 33 -0.741 5.599 9.104 258 H VAL 34 H VAL 34 1.547 10.078 7.884 259 HA VAL 34 HA VAL 34 1.460 10.611 5.017 260 HB VAL 34 HB VAL 34 3.823 11.117 6.739 261 HG11 VAL 34 1HG1 VAL 34 4.725 9.563 5.009 262 HG12 VAL 34 2HG1 VAL 34 4.075 10.613 3.731 263 HG13 VAL 34 3HG1 VAL 34 5.360 11.190 4.797 264 HG21 VAL 34 1HG2 VAL 34 2.494 13.057 6.147 265 HG22 VAL 34 2HG2 VAL 34 4.074 13.161 5.380 266 HG23 VAL 34 3HG2 VAL 34 2.668 12.672 4.423 267 H TYR 35 H TYR 35 1.831 8.874 3.848 268 HA TYR 35 HA TYR 35 2.277 6.256 5.220 269 HB2 TYR 35 2HB TYR 35 0.537 6.987 2.814 270 HB3 TYR 35 3HB TYR 35 0.700 5.390 3.575 271 HD1 TYR 35 1HD TYR 35 -0.836 8.700 3.791 272 HD2 TYR 35 2HD TYR 35 -0.094 4.949 5.833 273 HE1 TYR 35 1HE TYR 35 -2.611 9.277 5.448 274 HE2 TYR 35 2HE TYR 35 -1.875 5.514 7.477 275 HH TYR 35 HH TYR 35 -3.696 8.622 7.392 276 H LYS 36 H LYS 36 3.553 4.753 4.068 277 HA LYS 36 HA LYS 36 5.150 6.040 1.930 278 HB2 LYS 36 2HB LYS 36 5.748 3.503 3.325 279 HB3 LYS 36 3HB LYS 36 6.827 4.544 2.489 280 HG2 LYS 36 2HG LYS 36 6.822 6.158 4.322 281 HG3 LYS 36 3HG LYS 36 5.538 5.288 5.147 282 HD2 LYS 36 2HD LYS 36 7.780 4.944 6.135 283 HD3 LYS 36 3HD LYS 36 6.938 3.444 5.691 284 HE2 LYS 36 2HE LYS 36 8.330 3.069 3.805 285 HE3 LYS 36 3HE LYS 36 8.932 4.719 3.787 286 HZ1 LYS 36 1HZ LYS 36 10.155 4.258 5.822 287 HZ2 LYS 36 2HZ LYS 36 10.576 3.225 4.648 288 HZ3 LYS 36 3HZ LYS 36 9.587 2.698 5.856 289 H THR 37 H THR 37 4.943 5.498 -0.116 290 HA THR 37 HA THR 37 2.881 3.631 -0.916 291 HB THR 37 HB THR 37 2.988 4.524 -3.063 292 HG1 THR 37 1HG THR 37 5.497 5.475 -2.228 293 HG21 THR 37 1HG2 THR 37 2.109 6.273 -1.526 294 HG22 THR 37 2HG2 THR 37 3.004 6.993 -2.845 295 HG23 THR 37 3HG2 THR 37 3.739 6.894 -1.256 296 H ILE 38 H ILE 38 3.244 1.889 -2.323 297 HA ILE 38 HA ILE 38 6.102 1.011 -2.671 298 HB ILE 38 HB ILE 38 3.835 -0.941 -3.048 299 HG12 ILE 38 2HG1 ILE 38 4.624 -0.027 -0.195 300 HG13 ILE 38 3HG1 ILE 38 3.025 0.030 -0.934 301 HG21 ILE 38 1HG2 ILE 38 5.752 -2.381 -2.013 302 HG22 ILE 38 2HG2 ILE 38 6.472 -1.279 -3.183 303 HG23 ILE 38 3HG2 ILE 38 6.566 -0.924 -1.468 304 HD11 ILE 38 1HD1 ILE 38 3.082 -1.869 0.539 305 HD12 ILE 38 2HD1 ILE 38 2.963 -2.430 -1.141 306 HD13 ILE 38 3HD1 ILE 38 4.505 -2.536 -0.284 307 H CYS 39 H CYS 39 2.955 1.311 -4.081 308 HA CYS 39 HA CYS 39 4.011 1.085 -6.811 309 HB2 CYS 39 2HB CYS 39 2.251 -0.899 -7.089 310 HB3 CYS 39 3HB CYS 39 3.657 -1.085 -6.889 311 HG CYS 39 HG CYS 39 3.096 -1.769 -4.229 312 H LYS 40 H LYS 40 2.626 1.743 -8.362 313 HA LYS 40 HA LYS 40 0.270 3.051 -7.368 314 HB2 LYS 40 2HB LYS 40 2.393 4.521 -7.640 315 HB3 LYS 40 3HB LYS 40 2.412 4.009 -9.341 316 HG2 LYS 40 2HG LYS 40 0.016 5.074 -9.473 317 HG3 LYS 40 3HG LYS 40 0.589 5.802 -7.985 318 HD2 LYS 40 2HD LYS 40 2.506 6.819 -9.178 319 HD3 LYS 40 3HD LYS 40 2.110 5.884 -10.628 320 HE2 LYS 40 2HE LYS 40 0.096 7.114 -11.042 321 HE3 LYS 40 3HE LYS 40 0.141 7.842 -9.434 322 HZ1 LYS 40 1HZ LYS 40 0.946 9.466 -10.982 323 HZ2 LYS 40 2HZ LYS 40 2.029 8.433 -11.677 324 HZ3 LYS 40 3HZ LYS 40 2.203 8.946 -10.113 325 H ARG 41 H ARG 41 -1.566 3.128 -8.659 326 HA ARG 41 HA ARG 41 -1.186 2.478 -11.482 327 HB2 ARG 41 2HB ARG 41 -1.787 0.302 -10.375 328 HB3 ARG 41 3HB ARG 41 -3.359 1.054 -9.949 329 HG2 ARG 41 2HG ARG 41 -3.289 1.643 -12.599 330 HG3 ARG 41 3HG ARG 41 -2.117 0.428 -12.677 331 HD2 ARG 41 2HD ARG 41 -3.689 -1.085 -11.413 332 HD3 ARG 41 3HD ARG 41 -4.920 0.154 -11.428 333 HE ARG 41 HE ARG 41 -3.910 -1.243 -13.905 334 HH11 ARG 41 1HH1 ARG 41 -7.544 0.372 -13.914 335 HH12 ARG 41 2HH1 ARG 41 -6.573 0.716 -12.486 336 HH21 ARG 41 1HH2 ARG 41 -6.815 -0.859 -15.570 337 HH22 ARG 41 2HH2 ARG 41 -5.263 -1.643 -15.443 338 H GLY 42 H GLY 42 -1.878 4.082 -12.416 339 HA2 GLY 42 2HA GLY 42 -3.147 5.901 -12.922 340 HA3 GLY 42 3HA GLY 42 -4.534 5.220 -12.112 341 H ASN 43 H ASN 43 -5.267 6.551 -10.647 342 HA ASN 43 HA ASN 43 -3.513 8.503 -9.312 343 HB2 ASN 43 2HB ASN 43 -5.426 9.682 -8.754 344 HB3 ASN 43 3HB ASN 43 -5.828 9.000 -10.329 345 HD21 ASN 43 1HD2 ASN 43 -7.577 7.388 -10.424 346 HD22 ASN 43 2HD2 ASN 43 -8.528 7.150 -8.949 347 H THR 44 H THR 44 -4.005 5.298 -8.764 348 HA THR 44 HA THR 44 -4.159 5.638 -5.774 349 HB THR 44 HB THR 44 -5.928 4.356 -6.478 350 HG1 THR 44 1HG THR 44 -5.702 2.782 -5.050 351 HG21 THR 44 1HG2 THR 44 -5.581 3.260 -8.450 352 HG22 THR 44 2HG2 THR 44 -5.705 1.974 -7.258 353 HG23 THR 44 3HG2 THR 44 -4.097 2.449 -7.865 354 H TYR 45 H TYR 45 -2.793 4.375 -4.412 355 HA TYR 45 HA TYR 45 -0.119 3.871 -5.197 356 HB2 TYR 45 2HB TYR 45 -0.916 6.249 -3.434 357 HB3 TYR 45 3HB TYR 45 0.619 5.423 -3.335 358 HD1 TYR 45 1HD TYR 45 -1.581 7.112 -5.756 359 HD2 TYR 45 2HD TYR 45 2.416 5.978 -4.773 360 HE1 TYR 45 1HE TYR 45 -0.700 8.700 -7.486 361 HE2 TYR 45 2HE TYR 45 3.349 7.530 -6.424 362 HH TYR 45 HH TYR 45 2.888 9.272 -7.818 363 H LEU 46 H LEU 46 -0.138 2.043 -4.210 364 HA LEU 46 HA LEU 46 -1.779 1.478 -1.824 365 HB2 LEU 46 2HB LEU 46 -0.474 0.020 -4.014 366 HB3 LEU 46 3HB LEU 46 0.304 -0.269 -2.654 367 HG LEU 46 HG LEU 46 -1.343 -1.978 -2.977 368 HD11 LEU 46 1HD1 LEU 46 -2.975 -2.053 -1.164 369 HD12 LEU 46 2HD1 LEU 46 -2.507 -0.383 -0.697 370 HD13 LEU 46 3HD1 LEU 46 -1.295 -1.680 -0.598 371 HD21 LEU 46 1HD2 LEU 46 -3.759 -1.461 -3.076 372 HD22 LEU 46 2HD2 LEU 46 -2.873 -0.568 -4.296 373 HD23 LEU 46 3HD2 LEU 46 -3.380 0.257 -2.769 374 H CYS 47 H CYS 47 -1.012 1.982 0.146 375 HA CYS 47 HA CYS 47 1.889 2.428 0.527 376 HB2 CYS 47 2HB CYS 47 -0.233 4.078 1.983 377 HB3 CYS 47 3HB CYS 47 1.479 4.407 1.767 378 HG CYS 47 HG CYS 47 -0.784 4.289 -0.670 379 H PHE 48 H PHE 48 2.528 2.417 2.814 380 HA PHE 48 HA PHE 48 0.800 0.728 4.505 381 HB2 PHE 48 2HB PHE 48 2.440 -0.857 4.937 382 HB3 PHE 48 3HB PHE 48 2.440 -0.674 3.194 383 HD1 PHE 48 1HD PHE 48 4.442 -0.654 6.118 384 HD2 PHE 48 2HD PHE 48 4.229 0.663 2.044 385 HE1 PHE 48 1HE PHE 48 6.871 -0.773 5.981 386 HE2 PHE 48 2HE PHE 48 6.711 0.670 1.909 387 HZ PHE 48 HZ PHE 48 8.061 -0.122 3.856 388 H ASP 49 H ASP 49 1.274 0.676 6.678 389 HA ASP 49 HA ASP 49 3.149 2.761 7.736 390 HB2 ASP 49 2HB ASP 49 0.728 1.633 9.125 391 HB3 ASP 49 3HB ASP 49 1.857 2.730 9.870 392 H ASP 50 H ASP 50 3.270 1.829 10.219 393 HA ASP 50 HA ASP 50 4.644 -0.652 9.986 394 HB2 ASP 50 2HB ASP 50 3.791 0.996 12.415 395 HB3 ASP 50 3HB ASP 50 4.918 -0.394 12.538 396 H THR 51 H THR 51 1.476 -0.190 10.155 397 HA THR 51 HA THR 51 0.779 -2.308 12.127 398 HB THR 51 HB THR 51 -1.404 -0.526 11.354 399 HG1 THR 51 1HG THR 51 0.944 0.754 12.293 400 HG21 THR 51 1HG2 THR 51 0.211 -0.752 13.922 401 HG22 THR 51 2HG2 THR 51 -1.204 -1.757 13.484 402 HG23 THR 51 3HG2 THR 51 -1.408 -0.008 13.740 403 H ASN 52 H ASN 52 0.344 -1.349 8.809 404 HA ASN 52 HA ASN 52 -1.039 -3.287 7.643 405 HB2 ASN 52 2HB ASN 52 -3.295 -2.381 7.526 406 HB3 ASN 52 3HB ASN 52 -2.983 -3.327 8.950 407 HD21 ASN 52 1HD2 ASN 52 -3.437 -0.039 7.676 408 HD22 ASN 52 2HD2 ASN 52 -3.876 0.682 9.227 409 H LEU 53 H LEU 53 -2.455 -2.427 5.779 410 HA LEU 53 HA LEU 53 -0.876 -0.235 4.526 411 HB2 LEU 53 2HB LEU 53 -2.185 -2.780 3.529 412 HB3 LEU 53 3HB LEU 53 -1.933 -1.429 2.433 413 HG LEU 53 HG LEU 53 0.463 -1.284 3.238 414 HD11 LEU 53 1HD1 LEU 53 1.315 -3.664 3.927 415 HD12 LEU 53 2HD1 LEU 53 -0.366 -3.873 4.498 416 HD13 LEU 53 3HD1 LEU 53 0.677 -2.615 5.221 417 HD21 LEU 53 1HD2 LEU 53 1.237 -2.914 1.861 418 HD22 LEU 53 2HD2 LEU 53 -0.284 -2.394 1.135 419 HD23 LEU 53 3HD2 LEU 53 -0.229 -3.940 2.071 420 H TYR 54 H TYR 54 -2.042 0.787 2.608 421 HA TYR 54 HA TYR 54 -4.786 1.408 3.167 422 HB2 TYR 54 2HB TYR 54 -2.935 3.802 3.201 423 HB3 TYR 54 3HB TYR 54 -4.636 3.741 3.463 424 HD1 TYR 54 1HD TYR 54 -5.402 3.980 5.606 425 HD2 TYR 54 2HD TYR 54 -1.464 2.359 5.035 426 HE1 TYR 54 1HE TYR 54 -5.106 3.860 8.065 427 HE2 TYR 54 2HE TYR 54 -1.249 2.027 7.483 428 HH TYR 54 HH TYR 54 -2.034 2.916 9.506 429 H ALA 55 H ALA 55 -5.693 1.904 1.104 430 HA ALA 55 HA ALA 55 -3.721 2.621 -1.116 431 HB1 ALA 55 1HB ALA 55 -5.268 0.679 -1.608 432 HB2 ALA 55 2HB ALA 55 -6.652 1.737 -1.290 433 HB3 ALA 55 3HB ALA 55 -5.570 2.091 -2.646 434 H ILE 56 H ILE 56 -3.318 4.716 -1.128 435 HA ILE 56 HA ILE 56 -5.581 6.540 -0.441 436 HB ILE 56 HB ILE 56 -2.675 7.099 -0.856 437 HG12 ILE 56 2HG1 ILE 56 -3.248 8.465 1.350 438 HG13 ILE 56 3HG1 ILE 56 -4.663 7.461 1.420 439 HG21 ILE 56 1HG2 ILE 56 -3.457 9.577 -0.537 440 HG22 ILE 56 2HG2 ILE 56 -3.944 8.876 -2.080 441 HG23 ILE 56 3HG2 ILE 56 -5.108 9.002 -0.737 442 HD11 ILE 56 1HD1 ILE 56 -1.755 6.592 1.516 443 HD12 ILE 56 2HD1 ILE 56 -2.908 6.653 2.854 444 HD13 ILE 56 3HD1 ILE 56 -3.137 5.457 1.556 445 H THR 57 H THR 57 -6.974 6.711 -1.959 446 HA THR 57 HA THR 57 -6.165 6.633 -4.842 447 HB THR 57 HB THR 57 -9.011 6.444 -3.729 448 HG1 THR 57 1HG THR 57 -7.741 4.711 -2.982 449 HG21 THR 57 1HG2 THR 57 -7.707 5.759 -6.396 450 HG22 THR 57 2HG2 THR 57 -8.922 7.020 -6.078 451 HG23 THR 57 3HG2 THR 57 -9.370 5.313 -5.951 452 H GLY 58 H GLY 58 -5.530 8.623 -5.274 453 HA2 GLY 58 2HA GLY 58 -5.406 10.917 -5.445 454 HA3 GLY 58 3HA GLY 58 -7.160 10.950 -5.147 455 H ASP 59 H ASP 59 -7.716 10.640 -2.880 456 HA ASP 59 HA ASP 59 -5.972 11.628 -0.669 457 HB2 ASP 59 2HB ASP 59 -7.855 13.252 -0.185 458 HB3 ASP 59 3HB ASP 59 -6.940 13.615 -1.635 459 H VAL 60 H VAL 60 -8.211 9.410 -1.739 460 HA VAL 60 HA VAL 60 -9.818 9.052 0.683 461 HB VAL 60 HB VAL 60 -9.607 7.394 -1.881 462 HG11 VAL 60 1HG1 VAL 60 -10.322 5.885 -0.101 463 HG12 VAL 60 2HG1 VAL 60 -11.512 7.079 0.479 464 HG13 VAL 60 3HG1 VAL 60 -11.716 6.289 -1.099 465 HG21 VAL 60 1HG2 VAL 60 -11.784 9.315 -0.950 466 HG22 VAL 60 2HG2 VAL 60 -10.639 9.589 -2.287 467 HG23 VAL 60 3HG2 VAL 60 -11.841 8.300 -2.411 468 H VAL 61 H VAL 61 -8.336 8.622 2.231 469 HA VAL 61 HA VAL 61 -6.439 6.480 2.035 470 HB VAL 61 HB VAL 61 -6.198 8.376 3.392 471 HG11 VAL 61 1HG1 VAL 61 -8.208 7.228 5.397 472 HG12 VAL 61 2HG1 VAL 61 -7.273 8.727 5.568 473 HG13 VAL 61 3HG1 VAL 61 -8.538 8.615 4.333 474 HG21 VAL 61 1HG2 VAL 61 -6.207 5.891 5.136 475 HG22 VAL 61 2HG2 VAL 61 -4.977 6.237 3.896 476 HG23 VAL 61 3HG2 VAL 61 -5.142 7.300 5.313 477 H LEU 62 H LEU 62 -7.228 4.628 1.348 478 HA LEU 62 HA LEU 62 -9.406 3.368 2.922 479 HB2 LEU 62 2HB LEU 62 -9.796 3.369 0.640 480 HB3 LEU 62 3HB LEU 62 -8.240 2.761 0.214 481 HG LEU 62 HG LEU 62 -8.777 0.554 0.632 482 HD11 LEU 62 1HD1 LEU 62 -10.708 -0.232 2.101 483 HD12 LEU 62 2HD1 LEU 62 -10.809 1.425 2.749 484 HD13 LEU 62 3HD1 LEU 62 -9.343 0.431 2.960 485 HD21 LEU 62 1HD2 LEU 62 -11.517 1.817 0.288 486 HD22 LEU 62 2HD2 LEU 62 -11.049 0.164 -0.200 487 HD23 LEU 62 3HD2 LEU 62 -10.335 1.571 -1.028 488 H LYS 63 H LYS 63 -8.266 3.261 4.664 489 HA LYS 63 HA LYS 63 -6.051 1.641 5.370 490 HB2 LYS 63 2HB LYS 63 -7.006 1.632 7.624 491 HB3 LYS 63 3HB LYS 63 -7.158 3.242 6.907 492 HG2 LYS 63 2HG LYS 63 -9.546 2.786 6.387 493 HG3 LYS 63 3HG LYS 63 -9.435 1.232 7.201 494 HD2 LYS 63 2HD LYS 63 -8.885 3.871 8.583 495 HD3 LYS 63 3HD LYS 63 -10.458 3.104 8.511 496 HE2 LYS 63 2HE LYS 63 -8.530 1.126 9.408 497 HE3 LYS 63 3HE LYS 63 -8.295 2.616 10.351 498 HZ1 LYS 63 1HZ LYS 63 -9.950 1.435 11.531 499 HZ2 LYS 63 2HZ LYS 63 -10.796 1.019 10.164 500 HZ3 LYS 63 3HZ LYS 63 -10.769 2.551 10.687 501 H PHE 64 H PHE 64 -5.640 -0.431 5.286 502 HA PHE 64 HA PHE 64 -7.748 -2.443 4.746 503 HB2 PHE 64 2HB PHE 64 -4.799 -2.610 4.634 504 HB3 PHE 64 3HB PHE 64 -5.835 -3.898 4.495 505 HD1 PHE 64 1HD PHE 64 -4.084 -1.489 2.694 506 HD2 PHE 64 2HD PHE 64 -7.994 -3.315 2.707 507 HE1 PHE 64 1HE PHE 64 -4.390 -0.827 0.321 508 HE2 PHE 64 2HE PHE 64 -8.300 -2.687 0.324 509 HZ PHE 64 HZ PHE 64 -6.445 -1.433 -0.856 510 H ALA 65 H ALA 65 -8.542 -3.635 6.491 511 HA ALA 65 HA ALA 65 -7.466 -3.713 9.121 512 HB1 ALA 65 1HB ALA 65 -9.817 -4.402 8.315 513 HB2 ALA 65 2HB ALA 65 -9.036 -5.941 7.800 514 HB3 ALA 65 3HB ALA 65 -9.026 -5.483 9.491 515 H THR 66 H THR 66 -5.604 -4.881 6.593 516 HA THR 66 HA THR 66 -4.171 -6.798 8.184 517 HB THR 66 HB THR 66 -4.833 -7.849 5.555 518 HG1 THR 66 1HG THR 66 -6.745 -7.798 7.744 519 HG21 THR 66 1HG2 THR 66 -4.999 -9.224 8.255 520 HG22 THR 66 2HG2 THR 66 -3.634 -9.285 7.097 521 HG23 THR 66 3HG2 THR 66 -5.218 -9.967 6.642 522 H VAL 67 H VAL 67 -2.522 -7.586 6.766 523 HA VAL 67 HA VAL 67 -1.612 -5.560 4.879 524 HB VAL 67 HB VAL 67 -0.348 -8.256 5.147 525 HG11 VAL 67 1HG1 VAL 67 1.607 -6.763 5.052 526 HG12 VAL 67 2HG1 VAL 67 0.335 -6.094 3.910 527 HG13 VAL 67 3HG1 VAL 67 0.577 -5.401 5.550 528 HG21 VAL 67 1HG2 VAL 67 -0.606 -7.999 7.505 529 HG22 VAL 67 2HG2 VAL 67 1.048 -7.681 6.906 530 HG23 VAL 67 3HG2 VAL 67 0.015 -6.305 7.399 531 H SER 68 H SER 68 -2.566 -9.025 4.722 532 HA SER 68 HA SER 68 -2.245 -9.364 1.958 533 HB2 SER 68 2HB SER 68 -4.121 -10.784 3.898 534 HB3 SER 68 3HB SER 68 -3.666 -11.366 2.268 535 HG SER 68 HG SER 68 -2.346 -12.236 3.995 536 H LYS 69 H LYS 69 -4.716 -7.533 3.558 537 HA LYS 69 HA LYS 69 -6.830 -7.797 1.599 538 HB2 LYS 69 2HB LYS 69 -5.898 -5.339 3.109 539 HB3 LYS 69 3HB LYS 69 -7.507 -5.594 2.406 540 HG2 LYS 69 2HG LYS 69 -6.879 -7.672 4.346 541 HG3 LYS 69 3HG LYS 69 -6.474 -6.068 5.006 542 HD2 LYS 69 2HD LYS 69 -8.686 -6.400 5.682 543 HD3 LYS 69 3HD LYS 69 -8.742 -5.319 4.256 544 HE2 LYS 69 2HE LYS 69 -8.918 -7.563 2.899 545 HE3 LYS 69 3HE LYS 69 -8.975 -8.410 4.396 546 HZ1 LYS 69 1HZ LYS 69 -11.098 -6.419 3.896 547 HZ2 LYS 69 2HZ LYS 69 -11.137 -7.782 4.830 548 HZ3 LYS 69 3HZ LYS 69 -11.188 -7.839 3.163 549 H ALA 70 H ALA 70 -4.089 -5.504 1.908 550 HA ALA 70 HA ALA 70 -4.402 -4.080 -0.483 551 HB1 ALA 70 1HB ALA 70 -2.953 -3.478 1.347 552 HB2 ALA 70 2HB ALA 70 -1.968 -4.943 1.098 553 HB3 ALA 70 3HB ALA 70 -1.939 -3.710 -0.123 554 H ARG 71 H ARG 71 -3.276 -7.386 -0.138 555 HA ARG 71 HA ARG 71 -1.900 -7.554 -2.745 556 HB2 ARG 71 2HB ARG 71 -1.727 -9.048 -0.484 557 HB3 ARG 71 3HB ARG 71 -3.047 -9.876 -1.157 558 HG2 ARG 71 2HG ARG 71 -1.767 -11.064 -2.576 559 HG3 ARG 71 3HG ARG 71 -0.959 -9.601 -3.166 560 HD2 ARG 71 2HD ARG 71 0.625 -11.219 -2.233 561 HD3 ARG 71 3HD ARG 71 0.702 -9.675 -1.351 562 HE ARG 71 HE ARG 71 -1.081 -11.504 -0.061 563 HH11 ARG 71 1HH1 ARG 71 2.826 -11.855 0.949 564 HH12 ARG 71 2HH1 ARG 71 2.435 -11.337 -0.691 565 HH21 ARG 71 1HH2 ARG 71 1.358 -12.509 2.296 566 HH22 ARG 71 2HH2 ARG 71 -0.379 -12.334 2.048 567 H ALA 72 H ALA 72 -5.078 -8.338 -1.473 568 HA ALA 72 HA ALA 72 -6.130 -9.275 -4.012 569 HB1 ALA 72 1HB ALA 72 -6.704 -10.109 -1.727 570 HB2 ALA 72 2HB ALA 72 -7.431 -8.517 -1.382 571 HB3 ALA 72 3HB ALA 72 -8.144 -9.538 -2.674 572 H TYR 73 H TYR 73 -5.821 -6.181 -2.348 573 HA TYR 73 HA TYR 73 -7.768 -4.603 -3.844 574 HB2 TYR 73 2HB TYR 73 -6.709 -3.802 -1.814 575 HB3 TYR 73 3HB TYR 73 -5.238 -3.572 -2.671 576 HD1 TYR 73 1HD TYR 73 -8.574 -2.204 -2.099 577 HD2 TYR 73 2HD TYR 73 -5.170 -2.049 -4.772 578 HE1 TYR 73 1HE TYR 73 -9.347 -0.015 -2.970 579 HE2 TYR 73 2HE TYR 73 -6.054 0.089 -5.712 580 HH TYR 73 HH TYR 73 -8.947 1.730 -4.459 581 H LEU 74 H LEU 74 -4.218 -5.299 -4.351 582 HA LEU 74 HA LEU 74 -3.935 -3.919 -6.566 583 HB2 LEU 74 2HB LEU 74 -2.601 -5.929 -4.806 584 HB3 LEU 74 3HB LEU 74 -2.395 -6.415 -6.667 585 HG LEU 74 HG LEU 74 -1.159 -4.306 -6.960 586 HD11 LEU 74 1HD1 LEU 74 -2.466 -2.652 -5.757 587 HD12 LEU 74 2HD1 LEU 74 -0.770 -2.645 -5.139 588 HD13 LEU 74 3HD1 LEU 74 -2.071 -3.556 -4.323 589 HD21 LEU 74 1HD2 LEU 74 0.080 -6.165 -5.854 590 HD22 LEU 74 2HD2 LEU 74 -0.367 -5.318 -4.331 591 HD23 LEU 74 3HD2 LEU 74 0.705 -4.491 -5.449 592 H GLU 75 H GLU 75 -5.213 -7.091 -6.288 593 HA GLU 75 HA GLU 75 -5.339 -7.302 -9.424 594 HB2 GLU 75 2HB GLU 75 -6.204 -9.512 -9.011 595 HB3 GLU 75 3HB GLU 75 -4.621 -9.294 -8.608 596 HG2 GLU 75 2HG GLU 75 -4.980 -9.503 -6.298 597 HG3 GLU 75 3HG GLU 75 -6.791 -9.397 -6.516 598 H THR 76 H THR 76 -7.453 -6.212 -6.761 599 HA THR 76 HA THR 76 -9.783 -6.355 -8.565 600 HB THR 76 HB THR 76 -9.633 -7.589 -5.845 601 HG1 THR 76 1HG THR 76 -9.311 -8.927 -7.491 602 HG21 THR 76 1HG2 THR 76 -12.013 -6.536 -7.413 603 HG22 THR 76 2HG2 THR 76 -11.596 -6.253 -5.703 604 HG23 THR 76 3HG2 THR 76 -12.148 -7.846 -6.153 605 H LYS 77 H LYS 77 -10.288 -4.656 -8.846 606 HA LYS 77 HA LYS 77 -10.020 -2.124 -7.718 607 HB2 LYS 77 2HB LYS 77 -12.245 -2.952 -9.646 608 HB3 LYS 77 3HB LYS 77 -11.476 -1.392 -9.472 609 HG2 LYS 77 2HG LYS 77 -10.758 -2.227 -11.511 610 HG3 LYS 77 3HG LYS 77 -9.377 -2.314 -10.436 611 HD2 LYS 77 2HD LYS 77 -9.527 -4.271 -11.927 612 HD3 LYS 77 3HD LYS 77 -9.586 -4.720 -10.268 613 HE2 LYS 77 2HE LYS 77 -11.200 -6.091 -11.111 614 HE3 LYS 77 3HE LYS 77 -12.213 -4.751 -10.577 615 HZ1 LYS 77 1HZ LYS 77 -12.761 -5.517 -12.807 616 HZ2 LYS 77 2HZ LYS 77 -11.245 -5.267 -13.355 617 HZ3 LYS 77 3HZ LYS 77 -12.217 -3.998 -12.933 Start of MODEL 5 1 H2 SER 1 2H SER 1 3.859 -9.074 13.724 2 H3 SER 1 3H SER 1 4.756 -9.919 14.779 3 HA SER 1 HA SER 1 4.058 -7.956 15.809 4 HB2 SER 1 2HB SER 1 6.319 -8.841 16.293 5 HB3 SER 1 3HB SER 1 6.989 -7.718 15.128 6 HG SER 1 HG SER 1 6.825 -7.065 17.452 7 H HIS 2 H HIS 2 6.472 -6.199 13.835 8 HA HIS 2 HA HIS 2 4.226 -4.470 12.859 9 HB2 HIS 2 2HB HIS 2 6.239 -2.736 12.966 10 HB3 HIS 2 3HB HIS 2 5.304 -3.167 14.388 11 HD1 HIS 2 1HD HIS 2 6.624 -3.948 16.460 12 HD2 HIS 2 2HD HIS 2 8.794 -4.332 12.875 13 HE1 HIS 2 1HE HIS 2 8.884 -4.949 17.057 14 H MET 3 H MET 3 7.462 -3.987 11.808 15 HA MET 3 HA MET 3 7.397 -4.625 9.048 16 HB2 MET 3 2HB MET 3 9.778 -4.789 10.913 17 HB3 MET 3 3HB MET 3 9.780 -4.600 9.176 18 HG2 MET 3 2HG MET 3 8.588 -2.395 9.464 19 HG3 MET 3 3HG MET 3 8.852 -2.555 11.204 20 HE1 MET 3 1HE MET 3 11.491 0.170 10.389 21 HE2 MET 3 2HE MET 3 9.806 0.016 9.810 22 HE3 MET 3 3HE MET 3 10.215 -0.341 11.521 23 H THR 4 H THR 4 6.074 -6.853 10.606 24 HA THR 4 HA THR 4 7.825 -9.109 9.759 25 HB THR 4 HB THR 4 5.299 -9.271 11.340 26 HG1 THR 4 1HG THR 4 7.935 -9.165 12.294 27 HG21 THR 4 1HG2 THR 4 6.091 -11.352 10.276 28 HG22 THR 4 2HG2 THR 4 6.213 -11.450 12.043 29 HG23 THR 4 3HG2 THR 4 7.660 -11.145 11.060 30 H ALA 5 H ALA 5 4.258 -8.678 9.660 31 HA ALA 5 HA ALA 5 4.285 -10.029 7.076 32 HB1 ALA 5 1HB ALA 5 1.999 -8.738 8.643 33 HB2 ALA 5 2HB ALA 5 1.861 -9.863 7.298 34 HB3 ALA 5 3HB ALA 5 2.565 -10.417 8.824 35 H VAL 6 H VAL 6 3.720 -6.732 8.148 36 HA VAL 6 HA VAL 6 2.861 -5.596 5.713 37 HB VAL 6 HB VAL 6 2.840 -4.658 8.145 38 HG11 VAL 6 1HG1 VAL 6 5.358 -4.423 8.281 39 HG12 VAL 6 2HG1 VAL 6 5.236 -3.135 7.058 40 HG13 VAL 6 3HG1 VAL 6 4.451 -2.943 8.648 41 HG21 VAL 6 1HG2 VAL 6 2.379 -2.429 7.196 42 HG22 VAL 6 2HG2 VAL 6 3.136 -2.949 5.669 43 HG23 VAL 6 3HG2 VAL 6 1.644 -3.730 6.245 44 H GLN 7 H GLN 7 6.032 -6.303 6.964 45 HA GLN 7 HA GLN 7 7.574 -4.809 5.025 46 HB2 GLN 7 2HB GLN 7 8.560 -5.472 7.169 47 HB3 GLN 7 3HB GLN 7 8.118 -7.161 6.945 48 HG2 GLN 7 2HG GLN 7 10.466 -7.016 6.659 49 HG3 GLN 7 3HG GLN 7 9.795 -7.307 5.059 50 HE21 GLN 7 1HE2 GLN 7 9.112 -4.904 3.983 51 HE22 GLN 7 2HE2 GLN 7 10.247 -3.662 4.360 52 H ASP 8 H ASP 8 6.980 -8.189 5.517 53 HA ASP 8 HA ASP 8 7.900 -9.515 3.310 54 HB2 ASP 8 2HB ASP 8 7.150 -10.623 5.312 55 HB3 ASP 8 3HB ASP 8 5.507 -10.030 5.083 56 H PHE 9 H PHE 9 4.459 -8.434 3.645 57 HA PHE 9 HA PHE 9 3.703 -8.799 0.955 58 HB2 PHE 9 2HB PHE 9 2.115 -8.203 2.877 59 HB3 PHE 9 3HB PHE 9 2.915 -6.657 2.961 60 HD1 PHE 9 1HD PHE 9 2.543 -4.850 1.511 61 HD2 PHE 9 2HD PHE 9 0.789 -8.662 0.599 62 HE1 PHE 9 1HE PHE 9 1.155 -3.777 -0.249 63 HE2 PHE 9 2HE PHE 9 -0.547 -7.549 -1.241 64 HZ PHE 9 HZ PHE 9 -0.387 -5.140 -1.617 65 H VAL 10 H VAL 10 5.084 -5.889 2.586 66 HA VAL 10 HA VAL 10 5.103 -4.312 0.279 67 HB VAL 10 HB VAL 10 6.785 -4.168 2.735 68 HG11 VAL 10 1HG1 VAL 10 7.661 -1.963 2.026 69 HG12 VAL 10 2HG1 VAL 10 8.343 -3.292 1.087 70 HG13 VAL 10 3HG1 VAL 10 7.067 -2.271 0.379 71 HG21 VAL 10 1HG2 VAL 10 4.942 -2.094 1.548 72 HG22 VAL 10 2HG2 VAL 10 4.251 -3.486 2.362 73 HG23 VAL 10 3HG2 VAL 10 5.333 -2.397 3.265 74 H VAL 11 H VAL 11 7.765 -6.514 1.245 75 HA VAL 11 HA VAL 11 9.255 -5.955 -1.140 76 HB VAL 11 HB VAL 11 10.287 -8.388 -0.295 77 HG11 VAL 11 1HG1 VAL 11 11.171 -5.488 0.225 78 HG12 VAL 11 2HG1 VAL 11 12.219 -6.921 0.281 79 HG13 VAL 11 3HG1 VAL 11 11.509 -6.399 -1.245 80 HG21 VAL 11 1HG2 VAL 11 10.868 -7.818 2.040 81 HG22 VAL 11 2HG2 VAL 11 9.839 -6.373 1.894 82 HG23 VAL 11 3HG2 VAL 11 9.114 -8.015 1.850 83 H ASP 12 H ASP 12 6.556 -7.934 -0.786 84 HA ASP 12 HA ASP 12 6.977 -9.613 -3.141 85 HB2 ASP 12 2HB ASP 12 5.300 -9.956 -1.247 86 HB3 ASP 12 3HB ASP 12 4.366 -8.609 -1.920 87 H ILE 13 H ILE 13 5.425 -6.441 -2.627 88 HA ILE 13 HA ILE 13 4.809 -5.738 -5.528 89 HB ILE 13 HB ILE 13 4.499 -4.306 -2.924 90 HG12 ILE 13 2HG1 ILE 13 2.066 -4.456 -3.668 91 HG13 ILE 13 3HG1 ILE 13 2.551 -5.611 -4.894 92 HG21 ILE 13 1HG2 ILE 13 3.238 -2.766 -4.398 93 HG22 ILE 13 2HG2 ILE 13 4.965 -2.722 -4.780 94 HG23 ILE 13 3HG2 ILE 13 3.849 -3.602 -5.838 95 HD11 ILE 13 1HD1 ILE 13 1.556 -6.609 -2.871 96 HD12 ILE 13 2HD1 ILE 13 3.163 -7.206 -3.154 97 HD13 ILE 13 3HD1 ILE 13 2.896 -5.958 -1.895 98 H LEU 14 H LEU 14 7.448 -5.303 -3.184 99 HA LEU 14 HA LEU 14 8.663 -3.292 -4.754 100 HB2 LEU 14 2HB LEU 14 8.899 -4.312 -2.074 101 HB3 LEU 14 3HB LEU 14 10.407 -4.631 -2.784 102 HG LEU 14 HG LEU 14 8.982 -1.928 -2.680 103 HD11 LEU 14 1HD1 LEU 14 9.921 -2.630 -0.496 104 HD12 LEU 14 2HD1 LEU 14 10.760 -1.226 -1.171 105 HD13 LEU 14 3HD1 LEU 14 11.514 -2.826 -1.249 106 HD21 LEU 14 1HD2 LEU 14 10.261 -1.919 -4.675 107 HD22 LEU 14 2HD2 LEU 14 11.633 -2.749 -3.911 108 HD23 LEU 14 3HD2 LEU 14 11.239 -1.082 -3.447 109 H LEU 15 H LEU 15 9.558 -6.736 -4.268 110 HA LEU 15 HA LEU 15 11.729 -6.409 -6.334 111 HB2 LEU 15 2HB LEU 15 11.334 -8.514 -4.181 112 HB3 LEU 15 3HB LEU 15 12.632 -8.509 -5.353 113 HG LEU 15 HG LEU 15 12.207 -6.292 -3.315 114 HD11 LEU 15 1HD1 LEU 15 12.874 -8.440 -2.276 115 HD12 LEU 15 2HD1 LEU 15 14.164 -7.237 -2.169 116 HD13 LEU 15 3HD1 LEU 15 14.264 -8.539 -3.370 117 HD21 LEU 15 1HD2 LEU 15 14.469 -6.772 -5.297 118 HD22 LEU 15 2HD2 LEU 15 14.514 -5.596 -3.973 119 HD23 LEU 15 3HD2 LEU 15 13.346 -5.398 -5.273 120 H ASN 16 H ASN 16 9.049 -8.572 -5.442 121 HA ASN 16 HA ASN 16 9.360 -10.092 -7.931 122 HB2 ASN 16 2HB ASN 16 7.230 -10.292 -5.742 123 HB3 ASN 16 3HB ASN 16 7.272 -11.276 -7.200 124 HD21 ASN 16 1HD2 ASN 16 9.076 -10.574 -4.182 125 HD22 ASN 16 2HD2 ASN 16 9.970 -12.052 -4.197 126 H GLY 17 H GLY 17 7.844 -7.200 -6.860 127 HA2 GLY 17 2HA GLY 17 6.659 -5.604 -8.061 128 HA3 GLY 17 3HA GLY 17 6.508 -6.694 -9.454 129 H ALA 18 H ALA 18 4.522 -5.250 -8.847 130 HA ALA 18 HA ALA 18 2.428 -6.908 -7.574 131 HB1 ALA 18 1HB ALA 18 1.004 -4.931 -8.137 132 HB2 ALA 18 2HB ALA 18 2.421 -4.462 -7.223 133 HB3 ALA 18 3HB ALA 18 2.383 -4.209 -8.978 134 H ARG 19 H ARG 19 0.421 -6.817 -8.906 135 HA ARG 19 HA ARG 19 0.153 -7.411 -11.770 136 HB2 ARG 19 2HB ARG 19 -1.458 -6.614 -9.401 137 HB3 ARG 19 3HB ARG 19 -1.929 -5.779 -10.841 138 HG2 ARG 19 2HG ARG 19 -3.269 -7.677 -10.710 139 HG3 ARG 19 3HG ARG 19 -2.149 -7.985 -12.039 140 HD2 ARG 19 2HD ARG 19 -1.934 -9.125 -9.213 141 HD3 ARG 19 3HD ARG 19 -2.542 -9.996 -10.621 142 HE ARG 19 HE ARG 19 -0.052 -9.180 -11.457 143 HH11 ARG 19 1HH1 ARG 19 0.587 -11.690 -8.432 144 HH12 ARG 19 2HH1 ARG 19 -1.101 -11.361 -8.819 145 HH21 ARG 19 1HH2 ARG 19 2.214 -10.991 -9.551 146 HH22 ARG 19 2HH2 ARG 19 2.086 -9.720 -10.782 147 H ASP 20 H ASP 20 -1.206 -5.539 -12.674 148 HA ASP 20 HA ASP 20 0.389 -3.926 -14.183 149 HB2 ASP 20 2HB ASP 20 -2.463 -4.012 -13.170 150 HB3 ASP 20 3HB ASP 20 -1.947 -2.690 -14.118 151 H TRP 21 H TRP 21 0.078 -3.342 -10.739 152 HA TRP 21 HA TRP 21 0.271 -0.532 -10.864 153 HB2 TRP 21 2HB TRP 21 1.314 -2.307 -8.584 154 HB3 TRP 21 3HB TRP 21 0.953 -0.650 -8.588 155 HD1 TRP 21 1HD TRP 21 -1.566 -3.297 -10.012 156 HE1 TRP 21 1HE TRP 21 -3.789 -2.899 -8.907 157 HE3 TRP 21 3HE TRP 21 -0.179 0.410 -6.723 158 HZ2 TRP 21 2HZ TRP 21 -4.915 -1.002 -7.091 159 HZ3 TRP 21 3HZ TRP 21 -1.972 1.800 -5.693 160 HH2 TRP 21 2HH TRP 21 -4.307 1.086 -5.817 161 H ASP 22 H ASP 22 1.952 0.774 -10.464 162 HA ASP 22 HA ASP 22 4.521 0.102 -11.783 163 HB2 ASP 22 2HB ASP 22 3.596 1.793 -13.142 164 HB3 ASP 22 3HB ASP 22 2.739 2.547 -11.806 165 H VAL 23 H VAL 23 6.450 1.465 -10.458 166 HA VAL 23 HA VAL 23 5.784 0.219 -7.865 167 HB VAL 23 HB VAL 23 8.132 -0.766 -9.578 168 HG11 VAL 23 1HG1 VAL 23 8.634 -2.250 -7.616 169 HG12 VAL 23 2HG1 VAL 23 8.884 -0.535 -7.285 170 HG13 VAL 23 3HG1 VAL 23 7.426 -1.351 -6.666 171 HG21 VAL 23 1HG2 VAL 23 5.722 -2.268 -8.453 172 HG22 VAL 23 2HG2 VAL 23 6.019 -1.903 -10.167 173 HG23 VAL 23 3HG2 VAL 23 7.095 -3.008 -9.305 174 H LEU 24 H LEU 24 5.904 1.743 -6.800 175 HA LEU 24 HA LEU 24 8.057 3.811 -7.079 176 HB2 LEU 24 2HB LEU 24 5.098 3.910 -6.965 177 HB3 LEU 24 3HB LEU 24 5.873 5.054 -6.112 178 HG LEU 24 HG LEU 24 5.199 5.816 -8.376 179 HD11 LEU 24 1HD1 LEU 24 7.229 7.189 -8.674 180 HD12 LEU 24 2HD1 LEU 24 8.114 6.098 -7.581 181 HD13 LEU 24 3HD1 LEU 24 6.743 7.046 -6.975 182 HD21 LEU 24 1HD2 LEU 24 6.567 5.325 -10.296 183 HD22 LEU 24 2HD2 LEU 24 6.025 3.778 -9.605 184 HD23 LEU 24 3HD2 LEU 24 7.693 4.348 -9.339 185 H GLN 25 H GLN 25 9.185 3.298 -5.621 186 HA GLN 25 HA GLN 25 8.285 3.079 -2.831 187 HB2 GLN 25 2HB GLN 25 10.900 3.717 -2.559 188 HB3 GLN 25 3HB GLN 25 10.218 2.233 -2.339 189 HG2 GLN 25 2HG GLN 25 11.287 3.293 -5.027 190 HG3 GLN 25 3HG GLN 25 12.347 2.641 -3.813 191 HE21 GLN 25 1HE2 GLN 25 9.251 1.224 -5.302 192 HE22 GLN 25 2HE2 GLN 25 10.157 -0.197 -5.826 193 H THR 26 H THR 26 7.103 4.902 -2.742 194 HA THR 26 HA THR 26 8.958 6.916 -2.066 195 HB THR 26 HB THR 26 8.314 7.544 -4.367 196 HG1 THR 26 1HG THR 26 8.673 9.370 -3.626 197 HG21 THR 26 1HG2 THR 26 5.473 8.041 -3.415 198 HG22 THR 26 2HG2 THR 26 5.968 6.644 -4.427 199 HG23 THR 26 3HG2 THR 26 6.136 8.300 -5.033 200 H THR 27 H THR 27 6.866 8.955 -1.266 201 HA THR 27 HA THR 27 5.407 7.539 0.852 202 HB THR 27 HB THR 27 6.151 9.800 2.215 203 HG1 THR 27 1HG THR 27 7.836 10.494 1.155 204 HG21 THR 27 1HG2 THR 27 7.407 7.025 2.278 205 HG22 THR 27 2HG2 THR 27 6.042 7.639 3.218 206 HG23 THR 27 3HG2 THR 27 7.657 8.275 3.522 207 H CYS 28 H CYS 28 3.512 8.466 1.184 208 HA CYS 28 HA CYS 28 2.655 10.752 -0.471 209 HB2 CYS 28 2HB CYS 28 1.540 8.823 -1.161 210 HB3 CYS 28 3HB CYS 28 1.585 8.033 0.385 211 HG CYS 28 HG CYS 28 -0.343 10.555 -0.875 212 H THR 29 H THR 29 0.928 12.023 0.501 213 HA THR 29 HA THR 29 0.665 11.795 3.436 214 HB THR 29 HB THR 29 0.432 14.515 2.008 215 HG1 THR 29 1HG THR 29 2.412 14.689 1.621 216 HG21 THR 29 1HG2 THR 29 1.185 13.701 4.857 217 HG22 THR 29 2HG2 THR 29 -0.300 14.515 4.337 218 HG23 THR 29 3HG2 THR 29 1.249 15.366 4.237 219 H VAL 30 H VAL 30 -1.186 11.628 4.193 220 HA VAL 30 HA VAL 30 -3.493 13.096 3.040 221 HB VAL 30 HB VAL 30 -3.482 10.014 2.855 222 HG11 VAL 30 1HG1 VAL 30 -5.893 10.185 2.189 223 HG12 VAL 30 2HG1 VAL 30 -5.644 10.569 3.858 224 HG13 VAL 30 3HG1 VAL 30 -5.947 11.871 2.689 225 HG21 VAL 30 1HG2 VAL 30 -4.481 10.626 0.548 226 HG22 VAL 30 2HG2 VAL 30 -4.046 12.296 0.844 227 HG23 VAL 30 3HG2 VAL 30 -2.815 11.024 0.774 228 H ASP 31 H ASP 31 -5.296 13.267 4.435 229 HA ASP 31 HA ASP 31 -6.345 13.637 6.515 230 HB2 ASP 31 2HB ASP 31 -5.644 10.529 6.322 231 HB3 ASP 31 3HB ASP 31 -6.355 11.254 7.736 232 H ARG 32 H ARG 32 -3.570 14.424 6.537 233 HA ARG 32 HA ARG 32 -2.137 15.421 7.825 234 HB2 ARG 32 2HB ARG 32 -3.849 14.624 10.265 235 HB3 ARG 32 3HB ARG 32 -2.783 15.883 10.149 236 HG2 ARG 32 2HG ARG 32 -4.180 17.136 8.542 237 HG3 ARG 32 3HG ARG 32 -5.320 15.702 8.504 238 HD2 ARG 32 2HD ARG 32 -6.456 16.983 9.918 239 HD3 ARG 32 3HD ARG 32 -5.502 16.134 11.118 240 HE ARG 32 HE ARG 32 -3.950 18.302 10.641 241 HH11 ARG 32 1HH1 ARG 32 -7.456 19.940 11.793 242 HH12 ARG 32 2HH1 ARG 32 -7.409 18.179 11.479 243 HH21 ARG 32 1HH2 ARG 32 -5.583 21.172 11.505 244 HH22 ARG 32 2HH2 ARG 32 -4.063 20.441 11.045 245 H LYS 33 H LYS 33 -1.880 12.595 7.101 246 HA LYS 33 HA LYS 33 0.254 11.795 8.925 247 HB2 LYS 33 2HB LYS 33 -1.706 10.443 9.686 248 HB3 LYS 33 3HB LYS 33 -2.000 10.029 7.961 249 HG2 LYS 33 2HG LYS 33 -0.502 8.307 7.963 250 HG3 LYS 33 3HG LYS 33 0.708 9.268 8.554 251 HD2 LYS 33 2HD LYS 33 0.530 8.295 10.624 252 HD3 LYS 33 3HD LYS 33 -1.274 8.460 10.702 253 HE2 LYS 33 2HE LYS 33 -1.389 6.650 8.997 254 HE3 LYS 33 3HE LYS 33 0.320 6.261 9.147 255 HZ1 LYS 33 1HZ LYS 33 -0.858 4.814 10.339 256 HZ2 LYS 33 2HZ LYS 33 -1.664 5.928 11.275 257 HZ3 LYS 33 3HZ LYS 33 -0.019 5.761 11.456 258 H VAL 34 H VAL 34 1.874 10.775 7.815 259 HA VAL 34 HA VAL 34 1.718 10.702 4.819 260 HB VAL 34 HB VAL 34 3.863 10.876 6.816 261 HG11 VAL 34 1HG1 VAL 34 4.762 9.165 5.223 262 HG12 VAL 34 2HG1 VAL 34 4.451 10.281 3.883 263 HG13 VAL 34 3HG1 VAL 34 5.671 10.698 5.104 264 HG21 VAL 34 1HG2 VAL 34 4.663 12.831 5.561 265 HG22 VAL 34 2HG2 VAL 34 3.342 12.582 4.393 266 HG23 VAL 34 3HG2 VAL 34 2.983 12.997 6.099 267 H TYR 35 H TYR 35 2.187 8.824 3.763 268 HA TYR 35 HA TYR 35 2.533 6.268 5.284 269 HB2 TYR 35 2HB TYR 35 0.686 6.698 2.886 270 HB3 TYR 35 3HB TYR 35 0.961 5.177 3.834 271 HD1 TYR 35 1HD TYR 35 -0.689 8.432 3.771 272 HD2 TYR 35 2HD TYR 35 0.096 4.834 6.061 273 HE1 TYR 35 1HE TYR 35 -2.561 8.996 5.323 274 HE2 TYR 35 2HE TYR 35 -1.921 5.276 7.409 275 HH TYR 35 HH TYR 35 -3.659 6.714 7.909 276 H LYS 36 H LYS 36 3.824 4.785 4.296 277 HA LYS 36 HA LYS 36 5.437 5.837 2.036 278 HB2 LYS 36 2HB LYS 36 5.906 3.269 3.449 279 HB3 LYS 36 3HB LYS 36 7.032 4.319 2.642 280 HG2 LYS 36 2HG LYS 36 6.956 5.875 4.548 281 HG3 LYS 36 3HG LYS 36 5.706 4.917 5.344 282 HD2 LYS 36 2HD LYS 36 7.977 4.574 6.268 283 HD3 LYS 36 3HD LYS 36 7.205 3.080 5.713 284 HE2 LYS 36 2HE LYS 36 8.559 2.969 3.753 285 HE3 LYS 36 3HE LYS 36 9.029 4.657 3.883 286 HZ1 LYS 36 1HZ LYS 36 10.336 4.117 5.818 287 HZ2 LYS 36 2HZ LYS 36 10.832 3.284 4.517 288 HZ3 LYS 36 3HZ LYS 36 9.989 2.516 5.699 289 H THR 37 H THR 37 5.273 5.087 -0.040 290 HA THR 37 HA THR 37 3.111 3.217 -0.645 291 HB THR 37 HB THR 37 2.380 4.676 -2.001 292 HG1 THR 37 1HG THR 37 4.687 4.003 -3.492 293 HG21 THR 37 1HG2 THR 37 3.689 6.550 -1.067 294 HG22 THR 37 2HG2 THR 37 3.412 6.695 -2.795 295 HG23 THR 37 3HG2 THR 37 4.978 6.138 -2.226 296 H ILE 38 H ILE 38 3.366 1.578 -2.014 297 HA ILE 38 HA ILE 38 6.197 0.715 -2.583 298 HB ILE 38 HB ILE 38 3.936 -1.148 -3.209 299 HG12 ILE 38 2HG1 ILE 38 4.625 -0.471 -0.267 300 HG13 ILE 38 3HG1 ILE 38 3.085 -0.207 -1.047 301 HG21 ILE 38 1HG2 ILE 38 6.477 -1.572 -3.377 302 HG22 ILE 38 2HG2 ILE 38 6.615 -1.285 -1.642 303 HG23 ILE 38 3HG2 ILE 38 5.750 -2.696 -2.234 304 HD11 ILE 38 1HD1 ILE 38 2.952 -2.227 0.270 305 HD12 ILE 38 2HD1 ILE 38 2.612 -2.471 -1.464 306 HD13 ILE 38 3HD1 ILE 38 4.163 -2.977 -0.801 307 H CYS 39 H CYS 39 2.974 1.066 -3.952 308 HA CYS 39 HA CYS 39 4.058 1.175 -6.662 309 HB2 CYS 39 2HB CYS 39 2.655 -0.872 -7.308 310 HB3 CYS 39 3HB CYS 39 3.637 -1.073 -6.397 311 HG CYS 39 HG CYS 39 1.281 -0.039 -4.548 312 H LYS 40 H LYS 40 2.762 2.223 -7.990 313 HA LYS 40 HA LYS 40 0.244 3.069 -6.911 314 HB2 LYS 40 2HB LYS 40 0.119 4.929 -8.615 315 HB3 LYS 40 3HB LYS 40 1.413 5.296 -7.659 316 HG2 LYS 40 2HG LYS 40 3.049 4.715 -9.049 317 HG3 LYS 40 3HG LYS 40 2.067 3.618 -10.028 318 HD2 LYS 40 2HD LYS 40 1.785 5.317 -11.502 319 HD3 LYS 40 3HD LYS 40 0.644 5.890 -10.241 320 HE2 LYS 40 2HE LYS 40 1.996 7.696 -11.048 321 HE3 LYS 40 3HE LYS 40 2.055 7.351 -9.312 322 HZ1 LYS 40 1HZ LYS 40 4.295 7.790 -10.460 323 HZ2 LYS 40 2HZ LYS 40 4.101 6.323 -11.269 324 HZ3 LYS 40 3HZ LYS 40 4.239 6.358 -9.664 325 H ARG 41 H ARG 41 -1.589 3.246 -8.306 326 HA ARG 41 HA ARG 41 -0.980 2.479 -11.035 327 HB2 ARG 41 2HB ARG 41 -2.000 0.388 -10.069 328 HB3 ARG 41 3HB ARG 41 -3.494 1.335 -9.789 329 HG2 ARG 41 2HG ARG 41 -3.190 2.000 -12.351 330 HG3 ARG 41 3HG ARG 41 -2.059 0.668 -12.416 331 HD2 ARG 41 2HD ARG 41 -3.810 -0.788 -11.353 332 HD3 ARG 41 3HD ARG 41 -4.958 0.532 -11.412 333 HE ARG 41 HE ARG 41 -3.756 -0.770 -13.877 334 HH11 ARG 41 1HH1 ARG 41 -7.551 0.528 -13.822 335 HH12 ARG 41 2HH1 ARG 41 -6.559 0.830 -12.380 336 HH21 ARG 41 1HH2 ARG 41 -6.810 -0.527 -15.502 337 HH22 ARG 41 2HH2 ARG 41 -5.188 -1.039 -15.696 338 H GLY 42 H GLY 42 -1.411 4.192 -12.071 339 HA2 GLY 42 2HA GLY 42 -2.359 6.198 -12.707 340 HA3 GLY 42 3HA GLY 42 -3.912 5.558 -12.177 341 H ASN 43 H ASN 43 -4.859 6.876 -10.747 342 HA ASN 43 HA ASN 43 -3.361 8.896 -9.263 343 HB2 ASN 43 2HB ASN 43 -5.414 9.847 -8.707 344 HB3 ASN 43 3HB ASN 43 -5.600 9.257 -10.369 345 HD21 ASN 43 1HD2 ASN 43 -5.991 6.426 -8.583 346 HD22 ASN 43 2HD2 ASN 43 -7.719 6.601 -8.338 347 H THR 44 H THR 44 -3.298 5.831 -8.627 348 HA THR 44 HA THR 44 -3.835 6.112 -5.701 349 HB THR 44 HB THR 44 -5.657 5.020 -6.606 350 HG1 THR 44 1HG THR 44 -5.681 3.981 -4.763 351 HG21 THR 44 1HG2 THR 44 -5.375 3.653 -8.383 352 HG22 THR 44 2HG2 THR 44 -5.575 2.497 -7.087 353 HG23 THR 44 3HG2 THR 44 -3.935 2.847 -7.683 354 H TYR 45 H TYR 45 -2.698 4.582 -4.273 355 HA TYR 45 HA TYR 45 -0.009 3.944 -5.022 356 HB2 TYR 45 2HB TYR 45 -0.668 6.454 -3.422 357 HB3 TYR 45 3HB TYR 45 0.809 5.544 -3.227 358 HD1 TYR 45 1HD TYR 45 2.662 5.848 -4.798 359 HD2 TYR 45 2HD TYR 45 -1.268 7.141 -5.811 360 HE1 TYR 45 1HE TYR 45 3.680 7.423 -6.367 361 HE2 TYR 45 2HE TYR 45 -0.330 8.759 -7.468 362 HH TYR 45 HH TYR 45 1.627 9.808 -8.171 363 H LEU 46 H LEU 46 -0.077 2.135 -3.959 364 HA LEU 46 HA LEU 46 -1.702 1.821 -1.516 365 HB2 LEU 46 2HB LEU 46 -0.301 0.151 -3.625 366 HB3 LEU 46 3HB LEU 46 -0.562 -0.409 -2.060 367 HG LEU 46 HG LEU 46 -2.289 -0.732 -4.079 368 HD11 LEU 46 1HD1 LEU 46 -2.149 -2.153 -2.038 369 HD12 LEU 46 2HD1 LEU 46 -3.843 -1.698 -2.314 370 HD13 LEU 46 3HD1 LEU 46 -2.865 -0.872 -1.069 371 HD21 LEU 46 1HD2 LEU 46 -3.133 1.670 -3.713 372 HD22 LEU 46 2HD2 LEU 46 -3.593 1.115 -2.088 373 HD23 LEU 46 3HD2 LEU 46 -4.367 0.436 -3.491 374 H CYS 47 H CYS 47 -0.903 2.235 0.340 375 HA CYS 47 HA CYS 47 2.041 2.226 0.708 376 HB2 CYS 47 2HB CYS 47 -0.006 4.059 2.061 377 HB3 CYS 47 3HB CYS 47 1.759 4.263 2.033 378 HG CYS 47 HG CYS 47 0.290 6.118 0.645 379 H PHE 48 H PHE 48 2.597 2.433 3.147 380 HA PHE 48 HA PHE 48 0.944 0.573 4.760 381 HB2 PHE 48 2HB PHE 48 2.833 -0.787 5.228 382 HB3 PHE 48 3HB PHE 48 2.680 -0.627 3.461 383 HD1 PHE 48 1HD PHE 48 4.260 0.467 2.127 384 HD2 PHE 48 2HD PHE 48 4.779 -0.073 6.341 385 HE1 PHE 48 1HE PHE 48 6.702 0.616 1.825 386 HE2 PHE 48 2HE PHE 48 7.224 0.010 6.062 387 HZ PHE 48 HZ PHE 48 8.237 0.404 3.800 388 H ASP 49 H ASP 49 1.516 0.242 6.902 389 HA ASP 49 HA ASP 49 3.204 2.380 8.170 390 HB2 ASP 49 2HB ASP 49 0.629 1.530 9.401 391 HB3 ASP 49 3HB ASP 49 1.757 2.620 10.107 392 H ASP 50 H ASP 50 2.372 1.291 10.824 393 HA ASP 50 HA ASP 50 4.287 -0.804 10.858 394 HB2 ASP 50 2HB ASP 50 2.581 0.399 13.040 395 HB3 ASP 50 3HB ASP 50 3.370 -1.134 13.395 396 H THR 51 H THR 51 0.843 -0.889 10.833 397 HA THR 51 HA THR 51 0.784 -3.691 11.844 398 HB THR 51 HB THR 51 -1.557 -3.180 12.405 399 HG1 THR 51 1HG THR 51 -2.306 -1.723 11.085 400 HG21 THR 51 1HG2 THR 51 -1.266 -1.434 14.053 401 HG22 THR 51 2HG2 THR 51 0.194 -0.832 13.238 402 HG23 THR 51 3HG2 THR 51 0.223 -2.446 14.037 403 H ASN 52 H ASN 52 0.509 -2.109 8.763 404 HA ASN 52 HA ASN 52 -0.794 -3.800 7.193 405 HB2 ASN 52 2HB ASN 52 -3.059 -3.009 7.231 406 HB3 ASN 52 3HB ASN 52 -2.767 -4.146 8.469 407 HD21 ASN 52 1HD2 ASN 52 -3.120 -0.630 7.766 408 HD22 ASN 52 2HD2 ASN 52 -3.697 -0.193 9.358 409 H LEU 53 H LEU 53 -2.560 -2.227 5.927 410 HA LEU 53 HA LEU 53 -0.719 -0.392 4.506 411 HB2 LEU 53 2HB LEU 53 -2.558 -2.683 3.634 412 HB3 LEU 53 3HB LEU 53 -1.596 -1.686 2.550 413 HG LEU 53 HG LEU 53 -0.540 -3.562 4.738 414 HD11 LEU 53 1HD1 LEU 53 -1.333 -4.687 2.851 415 HD12 LEU 53 2HD1 LEU 53 0.407 -4.728 2.911 416 HD13 LEU 53 3HD1 LEU 53 -0.463 -3.603 1.746 417 HD21 LEU 53 1HD2 LEU 53 1.710 -3.105 3.713 418 HD22 LEU 53 2HD2 LEU 53 0.987 -1.743 4.558 419 HD23 LEU 53 3HD2 LEU 53 0.953 -1.794 2.764 420 H TYR 54 H TYR 54 -1.869 0.887 2.894 421 HA TYR 54 HA TYR 54 -4.708 1.320 3.368 422 HB2 TYR 54 2HB TYR 54 -2.888 3.744 3.540 423 HB3 TYR 54 3HB TYR 54 -4.584 3.622 3.787 424 HD1 TYR 54 1HD TYR 54 -5.288 3.962 5.942 425 HD2 TYR 54 2HD TYR 54 -1.511 1.996 5.371 426 HE1 TYR 54 1HE TYR 54 -5.026 3.808 8.344 427 HE2 TYR 54 2HE TYR 54 -1.437 1.427 7.772 428 HH TYR 54 HH TYR 54 -3.706 2.982 10.072 429 H ALA 55 H ALA 55 -5.703 1.965 1.468 430 HA ALA 55 HA ALA 55 -3.888 2.594 -0.860 431 HB1 ALA 55 1HB ALA 55 -5.805 0.960 -1.308 432 HB2 ALA 55 2HB ALA 55 -6.937 2.215 -0.792 433 HB3 ALA 55 3HB ALA 55 -5.951 2.464 -2.242 434 H ILE 56 H ILE 56 -3.430 4.577 -1.410 435 HA ILE 56 HA ILE 56 -5.426 6.651 -0.550 436 HB ILE 56 HB ILE 56 -2.486 6.918 -1.109 437 HG12 ILE 56 2HG1 ILE 56 -3.110 8.366 1.156 438 HG13 ILE 56 3HG1 ILE 56 -4.350 7.168 1.263 439 HG21 ILE 56 1HG2 ILE 56 -3.649 8.705 -2.364 440 HG22 ILE 56 2HG2 ILE 56 -4.741 9.003 -0.999 441 HG23 ILE 56 3HG2 ILE 56 -3.011 9.421 -0.906 442 HD11 ILE 56 1HD1 ILE 56 -1.343 6.702 1.242 443 HD12 ILE 56 2HD1 ILE 56 -2.462 6.478 2.580 444 HD13 ILE 56 3HD1 ILE 56 -2.531 5.384 1.196 445 H THR 57 H THR 57 -6.912 6.546 -2.071 446 HA THR 57 HA THR 57 -6.067 6.475 -4.948 447 HB THR 57 HB THR 57 -8.731 5.664 -3.704 448 HG1 THR 57 1HG THR 57 -7.939 3.576 -4.489 449 HG21 THR 57 1HG2 THR 57 -7.669 5.388 -6.556 450 HG22 THR 57 2HG2 THR 57 -8.920 6.528 -6.052 451 HG23 THR 57 3HG2 THR 57 -9.228 4.786 -5.963 452 H GLY 58 H GLY 58 -6.068 8.396 -5.818 453 HA2 GLY 58 2HA GLY 58 -6.595 10.572 -6.382 454 HA3 GLY 58 3HA GLY 58 -8.125 10.426 -5.479 455 H ASP 59 H ASP 59 -7.945 10.291 -3.221 456 HA ASP 59 HA ASP 59 -5.847 11.486 -1.555 457 HB2 ASP 59 2HB ASP 59 -7.610 13.459 -1.089 458 HB3 ASP 59 3HB ASP 59 -6.321 13.533 -2.264 459 H VAL 60 H VAL 60 -7.663 9.132 -1.739 460 HA VAL 60 HA VAL 60 -9.333 9.354 0.725 461 HB VAL 60 HB VAL 60 -9.614 7.457 -1.655 462 HG11 VAL 60 1HG1 VAL 60 -11.632 6.571 -0.484 463 HG12 VAL 60 2HG1 VAL 60 -10.124 6.104 0.287 464 HG13 VAL 60 3HG1 VAL 60 -11.113 7.419 0.966 465 HG21 VAL 60 1HG2 VAL 60 -11.505 9.581 -0.595 466 HG22 VAL 60 2HG2 VAL 60 -10.549 9.696 -2.087 467 HG23 VAL 60 3HG2 VAL 60 -11.828 8.482 -1.950 468 H VAL 61 H VAL 61 -8.033 8.759 2.292 469 HA VAL 61 HA VAL 61 -6.320 6.390 2.073 470 HB VAL 61 HB VAL 61 -5.724 8.253 3.432 471 HG11 VAL 61 1HG1 VAL 61 -6.541 8.503 5.749 472 HG12 VAL 61 2HG1 VAL 61 -7.935 8.654 4.631 473 HG13 VAL 61 3HG1 VAL 61 -7.664 7.137 5.535 474 HG21 VAL 61 1HG2 VAL 61 -4.668 6.030 3.676 475 HG22 VAL 61 2HG2 VAL 61 -4.824 6.752 5.292 476 HG23 VAL 61 3HG2 VAL 61 -5.972 5.522 4.785 477 H LEU 62 H LEU 62 -7.008 4.531 2.023 478 HA LEU 62 HA LEU 62 -9.417 3.579 3.537 479 HB2 LEU 62 2HB LEU 62 -9.694 3.785 1.092 480 HB3 LEU 62 3HB LEU 62 -8.338 2.801 0.810 481 HG LEU 62 HG LEU 62 -9.915 1.202 0.474 482 HD11 LEU 62 1HD1 LEU 62 -10.117 1.036 3.506 483 HD12 LEU 62 2HD1 LEU 62 -8.963 0.155 2.458 484 HD13 LEU 62 3HD1 LEU 62 -10.684 -0.181 2.351 485 HD21 LEU 62 1HD2 LEU 62 -12.233 1.305 1.322 486 HD22 LEU 62 2HD2 LEU 62 -11.738 2.845 0.603 487 HD23 LEU 62 3HD2 LEU 62 -11.793 2.673 2.371 488 H LYS 63 H LYS 63 -8.115 3.124 5.321 489 HA LYS 63 HA LYS 63 -5.970 1.365 5.614 490 HB2 LYS 63 2HB LYS 63 -6.759 1.025 7.834 491 HB3 LYS 63 3HB LYS 63 -7.007 2.691 7.375 492 HG2 LYS 63 2HG LYS 63 -9.439 2.149 6.880 493 HG3 LYS 63 3HG LYS 63 -9.147 0.553 7.589 494 HD2 LYS 63 2HD LYS 63 -8.950 3.238 9.011 495 HD3 LYS 63 3HD LYS 63 -10.192 1.991 9.210 496 HE2 LYS 63 2HE LYS 63 -8.150 0.425 9.767 497 HE3 LYS 63 3HE LYS 63 -7.264 1.914 10.045 498 HZ1 LYS 63 1HZ LYS 63 -8.892 2.577 11.705 499 HZ2 LYS 63 2HZ LYS 63 -8.304 1.067 12.083 500 HZ3 LYS 63 3HZ LYS 63 -9.817 1.247 11.423 501 H PHE 64 H PHE 64 -5.544 -0.739 5.384 502 HA PHE 64 HA PHE 64 -7.668 -2.687 4.691 503 HB2 PHE 64 2HB PHE 64 -4.732 -2.771 4.457 504 HB3 PHE 64 3HB PHE 64 -5.723 -4.128 4.199 505 HD1 PHE 64 1HD PHE 64 -4.160 -1.423 2.537 506 HD2 PHE 64 2HD PHE 64 -7.861 -3.667 2.554 507 HE1 PHE 64 1HE PHE 64 -4.631 -0.720 0.230 508 HE2 PHE 64 2HE PHE 64 -8.316 -2.898 0.288 509 HZ PHE 64 HZ PHE 64 -6.651 -1.488 -0.945 510 H ALA 65 H ALA 65 -8.442 -3.934 6.408 511 HA ALA 65 HA ALA 65 -7.311 -4.107 8.919 512 HB1 ALA 65 1HB ALA 65 -8.858 -6.268 7.661 513 HB2 ALA 65 2HB ALA 65 -8.852 -5.853 9.348 514 HB3 ALA 65 3HB ALA 65 -9.689 -4.708 8.207 515 H THR 66 H THR 66 -5.588 -5.238 6.430 516 HA THR 66 HA THR 66 -4.093 -7.141 7.993 517 HB THR 66 HB THR 66 -4.615 -8.405 5.473 518 HG1 THR 66 1HG THR 66 -6.623 -8.337 7.497 519 HG21 THR 66 1HG2 THR 66 -4.860 -10.444 6.780 520 HG22 THR 66 2HG2 THR 66 -4.723 -9.491 8.248 521 HG23 THR 66 3HG2 THR 66 -3.353 -9.559 7.153 522 H VAL 67 H VAL 67 -2.361 -7.829 6.599 523 HA VAL 67 HA VAL 67 -1.533 -5.810 4.649 524 HB VAL 67 HB VAL 67 -0.244 -8.491 4.992 525 HG11 VAL 67 1HG1 VAL 67 0.460 -5.586 4.901 526 HG12 VAL 67 2HG1 VAL 67 1.751 -6.993 4.748 527 HG13 VAL 67 3HG1 VAL 67 0.391 -6.638 3.543 528 HG21 VAL 67 1HG2 VAL 67 -0.375 -8.110 7.346 529 HG22 VAL 67 2HG2 VAL 67 1.224 -7.811 6.607 530 HG23 VAL 67 3HG2 VAL 67 0.227 -6.435 7.084 531 H SER 68 H SER 68 -2.310 -9.384 4.533 532 HA SER 68 HA SER 68 -2.095 -9.758 1.828 533 HB2 SER 68 2HB SER 68 -3.959 -11.242 3.617 534 HB3 SER 68 3HB SER 68 -3.291 -11.796 2.143 535 HG SER 68 HG SER 68 -1.876 -12.602 3.603 536 H LYS 69 H LYS 69 -4.615 -8.137 3.499 537 HA LYS 69 HA LYS 69 -6.673 -8.166 1.356 538 HB2 LYS 69 2HB LYS 69 -5.808 -5.716 2.782 539 HB3 LYS 69 3HB LYS 69 -7.466 -6.029 2.224 540 HG2 LYS 69 2HG LYS 69 -6.769 -8.053 4.207 541 HG3 LYS 69 3HG LYS 69 -6.281 -6.486 4.869 542 HD2 LYS 69 2HD LYS 69 -8.425 -6.510 5.520 543 HD3 LYS 69 3HD LYS 69 -8.504 -5.631 4.019 544 HE2 LYS 69 2HE LYS 69 -8.669 -8.157 3.064 545 HE3 LYS 69 3HE LYS 69 -9.051 -8.594 4.730 546 HZ1 LYS 69 1HZ LYS 69 -10.887 -6.712 4.358 547 HZ2 LYS 69 2HZ LYS 69 -11.114 -8.350 4.149 548 HZ3 LYS 69 3HZ LYS 69 -10.806 -7.366 2.837 549 H ALA 70 H ALA 70 -4.050 -5.836 1.718 550 HA ALA 70 HA ALA 70 -4.691 -4.353 -0.561 551 HB1 ALA 70 1HB ALA 70 -2.295 -3.678 -0.472 552 HB2 ALA 70 2HB ALA 70 -3.064 -3.723 1.133 553 HB3 ALA 70 3HB ALA 70 -1.974 -5.058 0.619 554 H ARG 71 H ARG 71 -3.108 -7.459 -0.461 555 HA ARG 71 HA ARG 71 -2.174 -7.722 -3.178 556 HB2 ARG 71 2HB ARG 71 -1.896 -9.195 -0.892 557 HB3 ARG 71 3HB ARG 71 -3.184 -10.098 -1.606 558 HG2 ARG 71 2HG ARG 71 -1.854 -10.980 -3.262 559 HG3 ARG 71 3HG ARG 71 -1.024 -9.457 -3.521 560 HD2 ARG 71 2HD ARG 71 0.644 -10.792 -2.773 561 HD3 ARG 71 3HD ARG 71 0.256 -9.874 -1.333 562 HE ARG 71 HE ARG 71 -1.253 -12.210 -1.122 563 HH11 ARG 71 1HH1 ARG 71 2.673 -13.002 -0.722 564 HH12 ARG 71 2HH1 ARG 71 2.218 -11.683 -1.769 565 HH21 ARG 71 1HH2 ARG 71 1.191 -14.265 0.301 566 HH22 ARG 71 2HH2 ARG 71 -0.520 -14.016 0.068 567 H ALA 72 H ALA 72 -5.386 -8.409 -1.726 568 HA ALA 72 HA ALA 72 -6.455 -9.473 -4.224 569 HB1 ALA 72 1HB ALA 72 -6.909 -10.562 -2.051 570 HB2 ALA 72 2HB ALA 72 -7.642 -9.055 -1.495 571 HB3 ALA 72 3HB ALA 72 -8.405 -9.956 -2.816 572 H TYR 73 H TYR 73 -6.061 -6.414 -2.640 573 HA TYR 73 HA TYR 73 -8.405 -5.122 -3.941 574 HB2 TYR 73 2HB TYR 73 -7.852 -4.260 -1.821 575 HB3 TYR 73 3HB TYR 73 -6.126 -4.190 -2.252 576 HD1 TYR 73 1HD TYR 73 -5.246 -2.614 -3.909 577 HD2 TYR 73 2HD TYR 73 -9.360 -2.371 -2.657 578 HE1 TYR 73 1HE TYR 73 -5.416 -0.589 -5.056 579 HE2 TYR 73 2HE TYR 73 -9.526 -0.154 -3.777 580 HH TYR 73 HH TYR 73 -8.019 0.766 -6.062 581 H LEU 74 H LEU 74 -4.866 -5.437 -4.351 582 HA LEU 74 HA LEU 74 -4.311 -3.641 -6.352 583 HB2 LEU 74 2HB LEU 74 -3.501 -6.482 -5.461 584 HB3 LEU 74 3HB LEU 74 -2.810 -5.820 -6.878 585 HG LEU 74 HG LEU 74 -1.824 -5.439 -4.289 586 HD11 LEU 74 1HD1 LEU 74 -1.624 -3.746 -6.717 587 HD12 LEU 74 2HD1 LEU 74 -0.730 -5.318 -6.393 588 HD13 LEU 74 3HD1 LEU 74 -0.368 -3.857 -5.419 589 HD21 LEU 74 1HD2 LEU 74 -1.671 -3.029 -3.967 590 HD22 LEU 74 2HD2 LEU 74 -3.389 -3.480 -3.837 591 HD23 LEU 74 3HD2 LEU 74 -2.790 -2.715 -5.315 592 H GLU 75 H GLU 75 -5.690 -6.835 -6.723 593 HA GLU 75 HA GLU 75 -5.961 -6.503 -9.652 594 HB2 GLU 75 2HB GLU 75 -6.961 -8.896 -9.419 595 HB3 GLU 75 3HB GLU 75 -5.227 -8.585 -9.298 596 HG2 GLU 75 2HG GLU 75 -5.319 -8.689 -6.820 597 HG3 GLU 75 3HG GLU 75 -7.059 -9.042 -6.910 598 H THR 76 H THR 76 -7.611 -5.306 -7.168 599 HA THR 76 HA THR 76 -10.307 -5.526 -8.403 600 HB THR 76 HB THR 76 -9.882 -5.887 -5.450 601 HG1 THR 76 1HG THR 76 -9.295 -7.798 -5.979 602 HG21 THR 76 1HG2 THR 76 -12.149 -6.554 -7.344 603 HG22 THR 76 2HG2 THR 76 -12.165 -5.207 -6.189 604 HG23 THR 76 3HG2 THR 76 -12.122 -6.877 -5.599 605 H LYS 77 H LYS 77 -9.211 -3.425 -8.954 606 HA LYS 77 HA LYS 77 -9.551 -1.262 -9.359 607 HB2 LYS 77 2HB LYS 77 -12.044 -2.077 -7.915 608 HB3 LYS 77 3HB LYS 77 -11.915 -0.568 -8.799 609 HG2 LYS 77 2HG LYS 77 -12.927 -1.778 -10.407 610 HG3 LYS 77 3HG LYS 77 -11.258 -2.056 -10.841 611 HD2 LYS 77 2HD LYS 77 -12.576 -4.125 -11.001 612 HD3 LYS 77 3HD LYS 77 -11.316 -4.262 -9.798 613 HE2 LYS 77 2HE LYS 77 -13.194 -5.275 -8.799 614 HE3 LYS 77 3HE LYS 77 -13.101 -3.697 -8.019 615 HZ1 LYS 77 1HZ LYS 77 -14.815 -2.972 -9.750 616 HZ2 LYS 77 2HZ LYS 77 -15.347 -4.095 -8.644 617 HZ3 LYS 77 3HZ LYS 77 -14.919 -4.597 -10.146 Start of MODEL 6 1 H2 SER 1 2H SER 1 5.387 -8.138 16.773 2 H3 SER 1 3H SER 1 4.419 -6.828 16.677 3 HA SER 1 HA SER 1 5.381 -8.292 14.316 4 HB2 SER 1 2HB SER 1 2.937 -8.952 14.096 5 HB3 SER 1 3HB SER 1 3.826 -9.738 15.402 6 HG SER 1 HG SER 1 1.860 -7.698 15.613 7 H HIS 2 H HIS 2 5.645 -6.711 12.767 8 HA HIS 2 HA HIS 2 3.567 -4.625 12.417 9 HB2 HIS 2 2HB HIS 2 5.588 -2.905 13.130 10 HB3 HIS 2 3HB HIS 2 4.290 -3.413 14.143 11 HD1 HIS 2 1HD HIS 2 5.651 -3.149 16.432 12 HD2 HIS 2 2HD HIS 2 7.397 -5.724 13.645 13 HE1 HIS 2 1HE HIS 2 7.243 -4.607 17.710 14 H MET 3 H MET 3 6.692 -3.375 11.634 15 HA MET 3 HA MET 3 7.222 -4.122 9.032 16 HB2 MET 3 2HB MET 3 9.611 -3.863 9.689 17 HB3 MET 3 3HB MET 3 8.575 -2.547 10.194 18 HG2 MET 3 2HG MET 3 8.652 -3.103 12.447 19 HG3 MET 3 3HG MET 3 9.123 -4.786 12.143 20 HE1 MET 3 1HE MET 3 12.848 -4.783 11.564 21 HE2 MET 3 2HE MET 3 11.387 -5.725 11.963 22 HE3 MET 3 3HE MET 3 11.542 -4.924 10.387 23 H THR 4 H THR 4 6.002 -6.439 10.318 24 HA THR 4 HA THR 4 7.935 -8.590 9.752 25 HB THR 4 HB THR 4 5.509 -8.922 11.485 26 HG1 THR 4 1HG THR 4 8.042 -8.143 12.414 27 HG21 THR 4 1HG2 THR 4 6.915 -10.688 12.503 28 HG22 THR 4 2HG2 THR 4 8.212 -10.278 11.355 29 HG23 THR 4 3HG2 THR 4 6.660 -10.913 10.761 30 H ALA 5 H ALA 5 4.370 -8.262 9.989 31 HA ALA 5 HA ALA 5 4.054 -9.965 7.647 32 HB1 ALA 5 1HB ALA 5 2.555 -10.014 9.635 33 HB2 ALA 5 2HB ALA 5 2.026 -8.345 9.283 34 HB3 ALA 5 3HB ALA 5 1.679 -9.654 8.143 35 H VAL 6 H VAL 6 3.614 -6.489 8.309 36 HA VAL 6 HA VAL 6 2.689 -5.733 5.737 37 HB VAL 6 HB VAL 6 2.736 -4.453 8.002 38 HG11 VAL 6 1HG1 VAL 6 4.408 -2.794 8.305 39 HG12 VAL 6 2HG1 VAL 6 5.303 -4.282 8.013 40 HG13 VAL 6 3HG1 VAL 6 5.141 -3.091 6.713 41 HG21 VAL 6 1HG2 VAL 6 1.595 -3.825 5.919 42 HG22 VAL 6 2HG2 VAL 6 2.224 -2.429 6.770 43 HG23 VAL 6 3HG2 VAL 6 3.087 -3.047 5.337 44 H GLN 7 H GLN 7 5.868 -6.246 7.023 45 HA GLN 7 HA GLN 7 7.366 -5.021 4.959 46 HB2 GLN 7 2HB GLN 7 8.288 -5.457 7.195 47 HB3 GLN 7 3HB GLN 7 7.959 -7.190 7.064 48 HG2 GLN 7 2HG GLN 7 10.313 -6.864 6.847 49 HG3 GLN 7 3HG GLN 7 9.723 -7.340 5.260 50 HE21 GLN 7 1HE2 GLN 7 8.908 -5.211 3.936 51 HE22 GLN 7 2HE2 GLN 7 9.886 -3.788 4.216 52 H ASP 8 H ASP 8 6.753 -8.282 5.722 53 HA ASP 8 HA ASP 8 7.565 -9.862 3.555 54 HB2 ASP 8 2HB ASP 8 6.975 -10.685 5.755 55 HB3 ASP 8 3HB ASP 8 5.360 -10.105 5.610 56 H PHE 9 H PHE 9 4.344 -8.250 4.046 57 HA PHE 9 HA PHE 9 3.322 -9.077 1.458 58 HB2 PHE 9 2HB PHE 9 1.795 -8.223 3.247 59 HB3 PHE 9 3HB PHE 9 2.688 -6.717 3.275 60 HD1 PHE 9 1HD PHE 9 0.790 -8.820 0.798 61 HD2 PHE 9 2HD PHE 9 2.299 -4.917 1.811 62 HE1 PHE 9 1HE PHE 9 -0.225 -7.836 -1.265 63 HE2 PHE 9 2HE PHE 9 1.146 -3.953 -0.149 64 HZ PHE 9 HZ PHE 9 -0.142 -5.415 -1.682 65 H VAL 10 H VAL 10 4.817 -6.087 2.649 66 HA VAL 10 HA VAL 10 4.744 -4.626 0.281 67 HB VAL 10 HB VAL 10 6.657 -4.493 2.589 68 HG11 VAL 10 1HG1 VAL 10 8.107 -3.705 0.819 69 HG12 VAL 10 2HG1 VAL 10 6.827 -2.683 0.143 70 HG13 VAL 10 3HG1 VAL 10 7.539 -2.318 1.728 71 HG21 VAL 10 1HG2 VAL 10 5.433 -2.574 3.162 72 HG22 VAL 10 2HG2 VAL 10 4.875 -2.315 1.504 73 HG23 VAL 10 3HG2 VAL 10 4.170 -3.612 2.460 74 H VAL 11 H VAL 11 7.474 -6.775 1.110 75 HA VAL 11 HA VAL 11 9.215 -6.224 -0.962 76 HB VAL 11 HB VAL 11 10.002 -8.593 -0.834 77 HG11 VAL 11 1HG1 VAL 11 9.912 -6.849 1.680 78 HG12 VAL 11 2HG1 VAL 11 11.051 -8.184 1.385 79 HG13 VAL 11 3HG1 VAL 11 11.101 -6.735 0.368 80 HG21 VAL 11 1HG2 VAL 11 7.805 -9.349 -0.086 81 HG22 VAL 11 2HG2 VAL 11 9.147 -9.904 0.973 82 HG23 VAL 11 3HG2 VAL 11 8.089 -8.526 1.450 83 H ASP 12 H ASP 12 6.273 -7.911 -1.219 84 HA ASP 12 HA ASP 12 6.601 -9.595 -3.519 85 HB2 ASP 12 2HB ASP 12 4.828 -9.530 -1.552 86 HB3 ASP 12 3HB ASP 12 3.931 -8.490 -2.647 87 H ILE 13 H ILE 13 4.969 -6.498 -3.269 88 HA ILE 13 HA ILE 13 4.804 -5.575 -6.096 89 HB ILE 13 HB ILE 13 5.241 -4.124 -3.554 90 HG12 ILE 13 2HG1 ILE 13 2.967 -3.369 -3.814 91 HG13 ILE 13 3HG1 ILE 13 2.750 -4.342 -5.248 92 HG21 ILE 13 1HG2 ILE 13 6.137 -2.802 -5.397 93 HG22 ILE 13 2HG2 ILE 13 4.827 -3.313 -6.457 94 HG23 ILE 13 3HG2 ILE 13 4.515 -2.180 -5.117 95 HD11 ILE 13 1HD1 ILE 13 1.703 -5.197 -3.101 96 HD12 ILE 13 2HD1 ILE 13 2.731 -6.362 -3.934 97 HD13 ILE 13 3HD1 ILE 13 3.341 -5.497 -2.487 98 H LEU 14 H LEU 14 7.110 -5.373 -3.423 99 HA LEU 14 HA LEU 14 8.558 -3.402 -4.533 100 HB2 LEU 14 2HB LEU 14 8.528 -4.958 -2.151 101 HB3 LEU 14 3HB LEU 14 10.093 -5.228 -2.748 102 HG LEU 14 HG LEU 14 8.958 -2.576 -1.901 103 HD11 LEU 14 1HD1 LEU 14 10.818 -2.668 -0.316 104 HD12 LEU 14 2HD1 LEU 14 11.487 -4.106 -1.108 105 HD13 LEU 14 3HD1 LEU 14 9.970 -4.221 -0.228 106 HD21 LEU 14 1HD2 LEU 14 11.172 -1.618 -2.648 107 HD22 LEU 14 2HD2 LEU 14 10.136 -2.140 -3.981 108 HD23 LEU 14 3HD2 LEU 14 11.493 -3.162 -3.496 109 H LEU 15 H LEU 15 9.760 -6.697 -4.291 110 HA LEU 15 HA LEU 15 11.875 -6.213 -6.338 111 HB2 LEU 15 2HB LEU 15 11.590 -8.461 -4.264 112 HB3 LEU 15 3HB LEU 15 12.948 -8.206 -5.332 113 HG LEU 15 HG LEU 15 12.115 -6.368 -3.058 114 HD11 LEU 15 1HD1 LEU 15 14.473 -8.282 -3.338 115 HD12 LEU 15 2HD1 LEU 15 13.052 -8.500 -2.288 116 HD13 LEU 15 3HD1 LEU 15 14.183 -7.172 -1.977 117 HD21 LEU 15 1HD2 LEU 15 13.151 -5.031 -4.819 118 HD22 LEU 15 2HD2 LEU 15 14.490 -6.201 -4.960 119 HD23 LEU 15 3HD2 LEU 15 14.295 -5.223 -3.488 120 H ASN 16 H ASN 16 9.288 -8.444 -5.364 121 HA ASN 16 HA ASN 16 9.687 -10.157 -7.659 122 HB2 ASN 16 2HB ASN 16 7.339 -10.339 -5.755 123 HB3 ASN 16 3HB ASN 16 8.022 -11.602 -6.797 124 HD21 ASN 16 1HD2 ASN 16 8.559 -9.732 -3.789 125 HD22 ASN 16 2HD2 ASN 16 9.715 -10.867 -3.089 126 H GLY 17 H GLY 17 7.944 -7.229 -7.070 127 HA2 GLY 17 2HA GLY 17 6.977 -5.933 -8.772 128 HA3 GLY 17 3HA GLY 17 6.611 -7.361 -9.728 129 H ALA 18 H ALA 18 4.993 -5.126 -8.966 130 HA ALA 18 HA ALA 18 2.779 -6.230 -7.415 131 HB1 ALA 18 1HB ALA 18 1.573 -4.237 -8.301 132 HB2 ALA 18 2HB ALA 18 3.134 -3.788 -7.650 133 HB3 ALA 18 3HB ALA 18 2.924 -3.912 -9.406 134 H ARG 19 H ARG 19 0.640 -6.026 -8.639 135 HA ARG 19 HA ARG 19 0.284 -7.400 -11.258 136 HB2 ARG 19 2HB ARG 19 -1.553 -5.444 -9.922 137 HB3 ARG 19 3HB ARG 19 -1.929 -6.736 -11.094 138 HG2 ARG 19 2HG ARG 19 -1.259 -6.958 -8.194 139 HG3 ARG 19 3HG ARG 19 -2.817 -7.337 -8.956 140 HD2 ARG 19 2HD ARG 19 -0.231 -8.968 -9.260 141 HD3 ARG 19 3HD ARG 19 -1.666 -9.373 -8.309 142 HE ARG 19 HE ARG 19 -2.789 -9.048 -10.680 143 HH11 ARG 19 1HH1 ARG 19 -0.219 -11.986 -11.217 144 HH12 ARG 19 2HH1 ARG 19 0.108 -10.856 -9.920 145 HH21 ARG 19 1HH2 ARG 19 -1.918 -11.945 -12.360 146 HH22 ARG 19 2HH2 ARG 19 -3.174 -10.772 -12.210 147 H ASP 20 H ASP 20 -1.160 -5.687 -12.231 148 HA ASP 20 HA ASP 20 -0.000 -4.049 -14.168 149 HB2 ASP 20 2HB ASP 20 -2.662 -4.354 -12.690 150 HB3 ASP 20 3HB ASP 20 -2.456 -3.258 -13.979 151 H TRP 21 H TRP 21 0.673 -3.242 -11.110 152 HA TRP 21 HA TRP 21 0.064 -0.388 -11.242 153 HB2 TRP 21 2HB TRP 21 1.433 -1.981 -8.977 154 HB3 TRP 21 3HB TRP 21 0.951 -0.309 -9.010 155 HD1 TRP 21 1HD TRP 21 -1.451 -3.276 -9.970 156 HE1 TRP 21 1HE TRP 21 -3.595 -2.942 -8.640 157 HE3 TRP 21 3HE TRP 21 -0.043 0.714 -7.266 158 HZ2 TRP 21 2HZ TRP 21 -4.686 -0.903 -6.926 159 HZ3 TRP 21 3HZ TRP 21 -1.771 2.042 -5.927 160 HH2 TRP 21 2HH TRP 21 -4.017 1.160 -5.691 161 H ASP 22 H ASP 22 1.810 0.987 -10.770 162 HA ASP 22 HA ASP 22 4.387 0.373 -12.148 163 HB2 ASP 22 2HB ASP 22 3.519 3.049 -10.992 164 HB3 ASP 22 3HB ASP 22 4.868 2.718 -12.069 165 H VAL 23 H VAL 23 6.341 1.070 -10.687 166 HA VAL 23 HA VAL 23 5.796 0.082 -7.960 167 HB VAL 23 HB VAL 23 8.005 -0.963 -9.824 168 HG11 VAL 23 1HG1 VAL 23 8.985 -0.520 -7.614 169 HG12 VAL 23 2HG1 VAL 23 7.649 -1.386 -6.816 170 HG13 VAL 23 3HG1 VAL 23 8.809 -2.262 -7.838 171 HG21 VAL 23 1HG2 VAL 23 7.088 -3.218 -9.234 172 HG22 VAL 23 2HG2 VAL 23 5.793 -2.426 -8.303 173 HG23 VAL 23 3HG2 VAL 23 5.881 -2.211 -10.067 174 H LEU 24 H LEU 24 5.959 1.644 -6.987 175 HA LEU 24 HA LEU 24 7.920 3.798 -7.724 176 HB2 LEU 24 2HB LEU 24 4.976 3.819 -7.200 177 HB3 LEU 24 3HB LEU 24 5.861 5.080 -6.704 178 HG LEU 24 HG LEU 24 4.712 5.338 -8.950 179 HD11 LEU 24 1HD1 LEU 24 6.216 6.977 -7.966 180 HD12 LEU 24 2HD1 LEU 24 6.475 6.880 -9.725 181 HD13 LEU 24 3HD1 LEU 24 7.634 6.109 -8.604 182 HD21 LEU 24 1HD2 LEU 24 7.263 4.072 -10.018 183 HD22 LEU 24 2HD2 LEU 24 5.888 4.715 -10.936 184 HD23 LEU 24 3HD2 LEU 24 5.688 3.250 -9.956 185 H GLN 25 H GLN 25 9.300 3.945 -6.269 186 HA GLN 25 HA GLN 25 8.574 3.588 -3.408 187 HB2 GLN 25 2HB GLN 25 11.246 3.425 -4.778 188 HB3 GLN 25 3HB GLN 25 11.090 3.831 -3.028 189 HG2 GLN 25 2HG GLN 25 11.094 1.584 -2.879 190 HG3 GLN 25 3HG GLN 25 9.424 1.770 -2.952 191 HE21 GLN 25 1HE2 GLN 25 8.371 0.316 -4.335 192 HE22 GLN 25 2HE2 GLN 25 9.272 -0.553 -5.583 193 H THR 26 H THR 26 7.379 5.132 -3.200 194 HA THR 26 HA THR 26 8.688 7.659 -2.413 195 HB THR 26 HB THR 26 8.052 8.110 -4.683 196 HG1 THR 26 1HG THR 26 6.809 9.950 -4.264 197 HG21 THR 26 1HG2 THR 26 5.138 7.918 -3.895 198 HG22 THR 26 2HG2 THR 26 5.988 6.672 -4.884 199 HG23 THR 26 3HG2 THR 26 5.811 8.336 -5.476 200 H THR 27 H THR 27 6.488 9.098 -1.537 201 HA THR 27 HA THR 27 5.281 7.477 0.599 202 HB THR 27 HB THR 27 6.072 9.189 2.283 203 HG1 THR 27 1HG THR 27 6.776 10.626 0.528 204 HG21 THR 27 1HG2 THR 27 7.116 6.902 2.115 205 HG22 THR 27 2HG2 THR 27 8.209 8.147 2.718 206 HG23 THR 27 3HG2 THR 27 8.340 7.576 1.031 207 H CYS 28 H CYS 28 3.355 8.383 1.204 208 HA CYS 28 HA CYS 28 2.361 10.666 -0.400 209 HB2 CYS 28 2HB CYS 28 1.381 8.786 -1.151 210 HB3 CYS 28 3HB CYS 28 1.358 7.942 0.385 211 HG CYS 28 HG CYS 28 -1.074 8.539 -0.839 212 H THR 29 H THR 29 0.543 11.817 0.640 213 HA THR 29 HA THR 29 0.620 11.693 3.562 214 HB THR 29 HB THR 29 0.284 14.404 2.129 215 HG1 THR 29 1HG THR 29 2.722 13.368 2.980 216 HG21 THR 29 1HG2 THR 29 1.107 13.767 4.973 217 HG22 THR 29 2HG2 THR 29 -0.453 14.433 4.459 218 HG23 THR 29 3HG2 THR 29 1.035 15.393 4.272 219 H VAL 30 H VAL 30 -1.044 11.429 4.458 220 HA VAL 30 HA VAL 30 -3.619 12.729 3.920 221 HB VAL 30 HB VAL 30 -3.655 9.728 3.324 222 HG11 VAL 30 1HG1 VAL 30 -5.834 11.872 3.458 223 HG12 VAL 30 2HG1 VAL 30 -6.066 10.307 2.636 224 HG13 VAL 30 3HG1 VAL 30 -5.729 10.317 4.332 225 HG21 VAL 30 1HG2 VAL 30 -2.851 10.819 1.299 226 HG22 VAL 30 2HG2 VAL 30 -4.530 10.390 1.067 227 HG23 VAL 30 3HG2 VAL 30 -4.116 12.072 1.409 228 H ASP 31 H ASP 31 -5.366 12.024 5.592 229 HA ASP 31 HA ASP 31 -6.021 11.517 7.725 230 HB2 ASP 31 2HB ASP 31 -4.554 9.340 6.851 231 HB3 ASP 31 3HB ASP 31 -3.727 9.731 8.352 232 H ARG 32 H ARG 32 -3.825 13.428 7.103 233 HA ARG 32 HA ARG 32 -2.406 14.964 7.975 234 HB2 ARG 32 2HB ARG 32 -3.322 14.098 10.755 235 HB3 ARG 32 3HB ARG 32 -2.354 15.519 10.375 236 HG2 ARG 32 2HG ARG 32 -4.188 16.486 9.037 237 HG3 ARG 32 3HG ARG 32 -5.200 15.054 9.395 238 HD2 ARG 32 2HD ARG 32 -4.937 15.515 11.805 239 HD3 ARG 32 3HD ARG 32 -4.084 17.007 11.441 240 HE ARG 32 HE ARG 32 -6.253 17.573 10.107 241 HH11 ARG 32 1HH1 ARG 32 -7.889 16.380 13.570 242 HH12 ARG 32 2HH1 ARG 32 -6.399 15.592 13.100 243 HH21 ARG 32 1HH2 ARG 32 -9.025 17.637 12.098 244 HH22 ARG 32 2HH2 ARG 32 -8.137 18.441 10.829 245 H LYS 33 H LYS 33 -1.713 12.130 7.469 246 HA LYS 33 HA LYS 33 0.751 11.784 9.071 247 HB2 LYS 33 2HB LYS 33 -1.121 10.282 9.853 248 HB3 LYS 33 3HB LYS 33 -1.261 9.637 8.228 249 HG2 LYS 33 2HG LYS 33 0.748 8.480 8.308 250 HG3 LYS 33 3HG LYS 33 1.450 9.576 9.489 251 HD2 LYS 33 2HD LYS 33 1.068 7.991 11.035 252 HD3 LYS 33 3HD LYS 33 -0.651 8.430 10.959 253 HE2 LYS 33 2HE LYS 33 -0.809 6.865 8.986 254 HE3 LYS 33 3HE LYS 33 0.823 6.266 9.348 255 HZ1 LYS 33 1HZ LYS 33 -0.027 5.712 11.594 256 HZ2 LYS 33 2HZ LYS 33 -0.639 4.853 10.328 257 HZ3 LYS 33 3HZ LYS 33 -1.574 5.993 11.036 258 H VAL 34 H VAL 34 2.361 10.514 7.853 259 HA VAL 34 HA VAL 34 1.875 10.462 4.934 260 HB VAL 34 HB VAL 34 4.286 11.004 6.494 261 HG11 VAL 34 1HG1 VAL 34 4.439 10.101 3.580 262 HG12 VAL 34 2HG1 VAL 34 5.799 10.738 4.522 263 HG13 VAL 34 3HG1 VAL 34 5.086 9.187 4.963 264 HG21 VAL 34 1HG2 VAL 34 3.207 12.295 4.020 265 HG22 VAL 34 2HG2 VAL 34 3.080 12.914 5.686 266 HG23 VAL 34 3HG2 VAL 34 4.654 12.834 4.890 267 H TYR 35 H TYR 35 2.145 8.647 3.958 268 HA TYR 35 HA TYR 35 2.766 6.118 5.425 269 HB2 TYR 35 2HB TYR 35 0.968 6.559 3.010 270 HB3 TYR 35 3HB TYR 35 1.302 5.002 3.852 271 HD1 TYR 35 1HD TYR 35 0.427 4.574 6.051 272 HD2 TYR 35 2HD TYR 35 -0.508 8.202 3.891 273 HE1 TYR 35 1HE TYR 35 -1.426 5.043 7.654 274 HE2 TYR 35 2HE TYR 35 -2.340 8.660 5.517 275 HH TYR 35 HH TYR 35 -3.568 7.832 7.459 276 H LYS 36 H LYS 36 3.795 4.473 3.897 277 HA LYS 36 HA LYS 36 5.364 5.856 1.814 278 HB2 LYS 36 2HB LYS 36 6.030 3.242 3.128 279 HB3 LYS 36 3HB LYS 36 7.036 4.281 2.203 280 HG2 LYS 36 2HG LYS 36 7.300 5.810 4.075 281 HG3 LYS 36 3HG LYS 36 6.019 4.993 4.983 282 HD2 LYS 36 2HD LYS 36 8.411 4.491 5.682 283 HD3 LYS 36 3HD LYS 36 7.349 3.101 5.419 284 HE2 LYS 36 2HE LYS 36 8.340 2.690 3.209 285 HE3 LYS 36 3HE LYS 36 9.348 4.134 3.373 286 HZ1 LYS 36 1HZ LYS 36 9.497 1.748 5.139 287 HZ2 LYS 36 2HZ LYS 36 10.477 3.044 5.241 288 HZ3 LYS 36 3HZ LYS 36 10.572 2.080 3.937 289 H THR 37 H THR 37 5.233 5.172 -0.279 290 HA THR 37 HA THR 37 3.114 3.201 -0.713 291 HB THR 37 HB THR 37 2.561 5.204 -1.859 292 HG1 THR 37 1HG THR 37 2.054 3.298 -2.833 293 HG21 THR 37 1HG2 THR 37 4.363 6.474 -2.371 294 HG22 THR 37 2HG2 THR 37 4.194 5.650 -3.952 295 HG23 THR 37 3HG2 THR 37 5.388 5.085 -2.819 296 H ILE 38 H ILE 38 3.331 1.645 -2.124 297 HA ILE 38 HA ILE 38 6.108 0.649 -2.567 298 HB ILE 38 HB ILE 38 3.663 -1.016 -3.248 299 HG12 ILE 38 2HG1 ILE 38 4.371 -0.319 -0.327 300 HG13 ILE 38 3HG1 ILE 38 2.822 -0.134 -1.141 301 HG21 ILE 38 1HG2 ILE 38 6.184 -1.682 -3.383 302 HG22 ILE 38 2HG2 ILE 38 6.371 -1.305 -1.680 303 HG23 ILE 38 3HG2 ILE 38 5.400 -2.676 -2.128 304 HD11 ILE 38 1HD1 ILE 38 2.673 -2.610 -1.493 305 HD12 ILE 38 2HD1 ILE 38 4.074 -2.785 -0.461 306 HD13 ILE 38 3HD1 ILE 38 2.606 -2.078 0.210 307 H CYS 39 H CYS 39 3.107 1.558 -4.033 308 HA CYS 39 HA CYS 39 4.077 1.358 -6.760 309 HB2 CYS 39 2HB CYS 39 2.429 -0.618 -7.296 310 HB3 CYS 39 3HB CYS 39 3.732 -0.836 -6.805 311 HG CYS 39 HG CYS 39 0.832 -0.338 -5.192 312 H LYS 40 H LYS 40 2.843 2.251 -8.205 313 HA LYS 40 HA LYS 40 0.395 3.351 -7.225 314 HB2 LYS 40 2HB LYS 40 2.407 4.954 -7.443 315 HB3 LYS 40 3HB LYS 40 2.517 4.456 -9.129 316 HG2 LYS 40 2HG LYS 40 0.013 5.391 -9.191 317 HG3 LYS 40 3HG LYS 40 0.668 6.245 -7.815 318 HD2 LYS 40 2HD LYS 40 0.983 7.687 -9.753 319 HD3 LYS 40 3HD LYS 40 2.584 6.968 -9.444 320 HE2 LYS 40 2HE LYS 40 1.906 5.085 -11.040 321 HE3 LYS 40 3HE LYS 40 0.454 5.991 -11.425 322 HZ1 LYS 40 1HZ LYS 40 3.145 7.134 -11.807 323 HZ2 LYS 40 2HZ LYS 40 1.735 7.626 -12.507 324 HZ3 LYS 40 3HZ LYS 40 2.420 6.167 -12.929 325 H ARG 41 H ARG 41 -1.404 3.353 -8.466 326 HA ARG 41 HA ARG 41 -1.151 2.510 -11.291 327 HB2 ARG 41 2HB ARG 41 -1.880 0.606 -9.803 328 HB3 ARG 41 3HB ARG 41 -3.424 1.448 -9.587 329 HG2 ARG 41 2HG ARG 41 -3.567 1.575 -12.128 330 HG3 ARG 41 3HG ARG 41 -2.061 0.669 -12.194 331 HD2 ARG 41 2HD ARG 41 -3.110 -1.060 -10.713 332 HD3 ARG 41 3HD ARG 41 -4.679 -0.272 -11.012 333 HE ARG 41 HE ARG 41 -2.816 -1.622 -12.964 334 HH11 ARG 41 1HH1 ARG 41 -6.542 -0.625 -14.149 335 HH12 ARG 41 2HH1 ARG 41 -6.127 -0.476 -12.455 336 HH21 ARG 41 1HH2 ARG 41 -5.000 -1.597 -15.593 337 HH22 ARG 41 2HH2 ARG 41 -3.413 -1.961 -15.005 338 H GLY 42 H GLY 42 -1.682 4.101 -12.322 339 HA2 GLY 42 2HA GLY 42 -2.797 6.086 -13.037 340 HA3 GLY 42 3HA GLY 42 -4.183 5.571 -12.094 341 H ASN 43 H ASN 43 -4.715 7.025 -10.774 342 HA ASN 43 HA ASN 43 -2.853 8.936 -9.488 343 HB2 ASN 43 2HB ASN 43 -4.792 10.067 -8.688 344 HB3 ASN 43 3HB ASN 43 -5.140 9.603 -10.381 345 HD21 ASN 43 1HD2 ASN 43 -7.156 8.517 -10.691 346 HD22 ASN 43 2HD2 ASN 43 -7.987 7.672 -9.357 347 H THR 44 H THR 44 -3.699 5.708 -8.892 348 HA THR 44 HA THR 44 -3.945 6.172 -5.916 349 HB THR 44 HB THR 44 -5.772 4.961 -6.795 350 HG1 THR 44 1HG THR 44 -5.881 4.171 -4.998 351 HG21 THR 44 1HG2 THR 44 -5.424 2.404 -7.027 352 HG22 THR 44 2HG2 THR 44 -3.843 2.902 -7.689 353 HG23 THR 44 3HG2 THR 44 -5.379 3.479 -8.417 354 H TYR 45 H TYR 45 -2.826 4.717 -4.445 355 HA TYR 45 HA TYR 45 -0.034 4.260 -5.044 356 HB2 TYR 45 2HB TYR 45 -1.117 6.554 -3.338 357 HB3 TYR 45 3HB TYR 45 0.438 5.818 -3.048 358 HD1 TYR 45 1HD TYR 45 2.315 6.462 -4.233 359 HD2 TYR 45 2HD TYR 45 -1.528 7.466 -5.696 360 HE1 TYR 45 1HE TYR 45 3.431 7.876 -5.927 361 HE2 TYR 45 2HE TYR 45 -0.490 8.956 -7.444 362 HH TYR 45 HH TYR 45 3.085 9.608 -7.411 363 H LEU 46 H LEU 46 -0.156 2.310 -4.206 364 HA LEU 46 HA LEU 46 -1.780 1.545 -1.879 365 HB2 LEU 46 2HB LEU 46 -0.729 0.084 -4.013 366 HB3 LEU 46 3HB LEU 46 0.572 0.211 -3.020 367 HG LEU 46 HG LEU 46 -1.115 -0.530 -1.066 368 HD11 LEU 46 1HD1 LEU 46 -2.607 -1.450 -3.555 369 HD12 LEU 46 2HD1 LEU 46 -3.184 -0.272 -2.373 370 HD13 LEU 46 3HD1 LEU 46 -2.996 -1.965 -1.900 371 HD21 LEU 46 1HD2 LEU 46 -0.875 -2.927 -1.535 372 HD22 LEU 46 2HD2 LEU 46 0.588 -1.930 -1.452 373 HD23 LEU 46 3HD2 LEU 46 -0.008 -2.463 -3.038 374 H CYS 47 H CYS 47 -1.020 1.858 0.240 375 HA CYS 47 HA CYS 47 1.895 2.237 0.623 376 HB2 CYS 47 2HB CYS 47 -0.108 4.057 2.027 377 HB3 CYS 47 3HB CYS 47 1.654 4.225 1.898 378 HG CYS 47 HG CYS 47 0.027 6.044 0.553 379 H PHE 48 H PHE 48 2.533 2.357 2.906 380 HA PHE 48 HA PHE 48 0.884 0.589 4.619 381 HB2 PHE 48 2HB PHE 48 2.754 -0.774 5.070 382 HB3 PHE 48 3HB PHE 48 2.574 -0.644 3.325 383 HD1 PHE 48 1HD PHE 48 4.730 -0.154 6.115 384 HD2 PHE 48 2HD PHE 48 4.134 0.439 1.934 385 HE1 PHE 48 1HE PHE 48 7.127 -0.213 5.834 386 HE2 PHE 48 2HE PHE 48 6.604 0.485 1.576 387 HZ PHE 48 HZ PHE 48 8.146 0.154 3.526 388 H ASP 49 H ASP 49 1.398 0.361 6.709 389 HA ASP 49 HA ASP 49 2.878 2.577 8.114 390 HB2 ASP 49 2HB ASP 49 0.477 0.913 8.973 391 HB3 ASP 49 3HB ASP 49 1.476 1.678 10.153 392 H ASP 50 H ASP 50 3.313 1.369 10.342 393 HA ASP 50 HA ASP 50 4.317 -1.379 9.928 394 HB2 ASP 50 2HB ASP 50 4.163 0.520 12.235 395 HB3 ASP 50 3HB ASP 50 4.402 -1.170 12.611 396 H THR 51 H THR 51 1.259 -0.100 10.390 397 HA THR 51 HA THR 51 0.379 -2.141 12.310 398 HB THR 51 HB THR 51 -1.793 -0.987 12.262 399 HG1 THR 51 1HG THR 51 -0.962 1.198 10.868 400 HG21 THR 51 1HG2 THR 51 0.485 1.044 12.506 401 HG22 THR 51 2HG2 THR 51 -0.069 -0.061 13.780 402 HG23 THR 51 3HG2 THR 51 -1.160 1.188 13.169 403 H ASN 52 H ASN 52 0.374 -1.735 8.801 404 HA ASN 52 HA ASN 52 -1.098 -3.477 7.727 405 HB2 ASN 52 2HB ASN 52 -3.327 -2.640 7.465 406 HB3 ASN 52 3HB ASN 52 -3.116 -3.428 8.981 407 HD21 ASN 52 1HD2 ASN 52 -3.407 -0.258 7.366 408 HD22 ASN 52 2HD2 ASN 52 -3.954 0.580 8.807 409 H LEU 53 H LEU 53 -2.726 -2.203 6.036 410 HA LEU 53 HA LEU 53 -0.844 -0.460 4.496 411 HB2 LEU 53 2HB LEU 53 -2.630 -2.847 3.764 412 HB3 LEU 53 3HB LEU 53 -1.748 -1.866 2.568 413 HG LEU 53 HG LEU 53 -0.480 -3.466 4.873 414 HD11 LEU 53 1HD1 LEU 53 0.390 -4.830 3.213 415 HD12 LEU 53 2HD1 LEU 53 -0.484 -3.943 1.933 416 HD13 LEU 53 3HD1 LEU 53 -1.385 -4.874 3.186 417 HD21 LEU 53 1HD2 LEU 53 1.630 -3.009 3.513 418 HD22 LEU 53 2HD2 LEU 53 0.903 -1.663 4.388 419 HD23 LEU 53 3HD2 LEU 53 0.687 -1.796 2.615 420 H TYR 54 H TYR 54 -1.985 0.729 2.780 421 HA TYR 54 HA TYR 54 -4.890 1.069 3.109 422 HB2 TYR 54 2HB TYR 54 -3.216 3.590 3.025 423 HB3 TYR 54 3HB TYR 54 -4.880 3.382 3.373 424 HD1 TYR 54 1HD TYR 54 -1.560 2.213 4.920 425 HD2 TYR 54 2HD TYR 54 -5.572 3.673 5.525 426 HE1 TYR 54 1HE TYR 54 -1.334 1.826 7.336 427 HE2 TYR 54 2HE TYR 54 -5.225 3.588 7.971 428 HH TYR 54 HH TYR 54 -2.200 2.446 9.414 429 H ALA 55 H ALA 55 -5.895 2.089 1.188 430 HA ALA 55 HA ALA 55 -3.958 2.601 -1.067 431 HB1 ALA 55 1HB ALA 55 -5.567 0.807 -1.666 432 HB2 ALA 55 2HB ALA 55 -6.924 1.874 -1.234 433 HB3 ALA 55 3HB ALA 55 -5.866 2.288 -2.600 434 H ILE 56 H ILE 56 -3.537 4.662 -1.310 435 HA ILE 56 HA ILE 56 -5.619 6.647 -0.519 436 HB ILE 56 HB ILE 56 -2.690 6.993 -1.050 437 HG12 ILE 56 2HG1 ILE 56 -3.219 8.335 1.263 438 HG13 ILE 56 3HG1 ILE 56 -4.536 7.207 1.349 439 HG21 ILE 56 1HG2 ILE 56 -3.917 8.837 -2.184 440 HG22 ILE 56 2HG2 ILE 56 -4.978 9.041 -0.771 441 HG23 ILE 56 3HG2 ILE 56 -3.259 9.482 -0.693 442 HD11 ILE 56 1HD1 ILE 56 -2.823 5.337 1.307 443 HD12 ILE 56 2HD1 ILE 56 -1.547 6.576 1.326 444 HD13 ILE 56 3HD1 ILE 56 -2.673 6.458 2.668 445 H THR 57 H THR 57 -7.026 7.069 -2.084 446 HA THR 57 HA THR 57 -6.072 7.113 -4.933 447 HB THR 57 HB THR 57 -8.899 6.450 -3.978 448 HG1 THR 57 1HG THR 57 -7.395 4.789 -3.503 449 HG21 THR 57 1HG2 THR 57 -9.245 5.722 -6.279 450 HG22 THR 57 2HG2 THR 57 -7.594 6.159 -6.735 451 HG23 THR 57 3HG2 THR 57 -8.759 7.403 -6.266 452 H GLY 58 H GLY 58 -6.083 9.100 -5.728 453 HA2 GLY 58 2HA GLY 58 -6.247 11.430 -5.802 454 HA3 GLY 58 3HA GLY 58 -7.858 11.268 -5.080 455 H ASP 59 H ASP 59 -8.131 11.368 -2.918 456 HA ASP 59 HA ASP 59 -5.920 11.562 -1.013 457 HB2 ASP 59 2HB ASP 59 -6.613 13.628 0.059 458 HB3 ASP 59 3HB ASP 59 -5.955 13.866 -1.551 459 H VAL 60 H VAL 60 -7.924 9.675 -1.598 460 HA VAL 60 HA VAL 60 -9.592 9.593 0.873 461 HB VAL 60 HB VAL 60 -9.782 7.960 -1.710 462 HG11 VAL 60 1HG1 VAL 60 -11.841 6.966 -0.731 463 HG12 VAL 60 2HG1 VAL 60 -10.352 6.431 0.060 464 HG13 VAL 60 3HG1 VAL 60 -11.390 7.670 0.841 465 HG21 VAL 60 1HG2 VAL 60 -11.674 10.039 -0.537 466 HG22 VAL 60 2HG2 VAL 60 -10.657 10.217 -1.995 467 HG23 VAL 60 3HG2 VAL 60 -11.984 9.043 -1.984 468 H VAL 61 H VAL 61 -8.456 8.721 2.455 469 HA VAL 61 HA VAL 61 -6.584 6.489 1.880 470 HB VAL 61 HB VAL 61 -5.911 8.221 3.367 471 HG11 VAL 61 1HG1 VAL 61 -6.641 8.411 5.681 472 HG12 VAL 61 2HG1 VAL 61 -8.087 8.591 4.647 473 HG13 VAL 61 3HG1 VAL 61 -7.751 7.042 5.481 474 HG21 VAL 61 1HG2 VAL 61 -6.082 5.514 4.671 475 HG22 VAL 61 2HG2 VAL 61 -4.923 5.948 3.398 476 HG23 VAL 61 3HG2 VAL 61 -4.832 6.739 4.997 477 H LEU 62 H LEU 62 -7.312 4.648 1.608 478 HA LEU 62 HA LEU 62 -9.623 3.520 3.121 479 HB2 LEU 62 2HB LEU 62 -10.003 3.721 0.830 480 HB3 LEU 62 3HB LEU 62 -8.517 3.123 0.333 481 HG LEU 62 HG LEU 62 -9.237 0.979 0.250 482 HD11 LEU 62 1HD1 LEU 62 -9.277 0.302 2.538 483 HD12 LEU 62 2HD1 LEU 62 -10.834 -0.137 1.881 484 HD13 LEU 62 3HD1 LEU 62 -10.707 1.309 2.898 485 HD21 LEU 62 1HD2 LEU 62 -11.941 2.278 0.755 486 HD22 LEU 62 2HD2 LEU 62 -11.653 0.754 -0.126 487 HD23 LEU 62 3HD2 LEU 62 -11.066 2.284 -0.799 488 H LYS 63 H LYS 63 -8.410 3.100 4.918 489 HA LYS 63 HA LYS 63 -6.181 1.387 5.140 490 HB2 LYS 63 2HB LYS 63 -6.740 1.093 7.405 491 HB3 LYS 63 3HB LYS 63 -7.145 2.741 6.992 492 HG2 LYS 63 2HG LYS 63 -9.522 2.254 6.916 493 HG3 LYS 63 3HG LYS 63 -9.220 0.535 7.214 494 HD2 LYS 63 2HD LYS 63 -8.575 2.759 9.186 495 HD3 LYS 63 3HD LYS 63 -9.975 1.683 9.223 496 HE2 LYS 63 2HE LYS 63 -8.201 -0.249 9.127 497 HE3 LYS 63 3HE LYS 63 -7.037 0.979 9.632 498 HZ1 LYS 63 1HZ LYS 63 -9.503 0.260 11.118 499 HZ2 LYS 63 2HZ LYS 63 -8.391 1.351 11.609 500 HZ3 LYS 63 3HZ LYS 63 -7.964 -0.231 11.494 501 H PHE 64 H PHE 64 -5.753 -0.702 5.120 502 HA PHE 64 HA PHE 64 -7.871 -2.707 4.564 503 HB2 PHE 64 2HB PHE 64 -4.879 -2.859 4.499 504 HB3 PHE 64 3HB PHE 64 -5.913 -4.145 4.289 505 HD1 PHE 64 1HD PHE 64 -4.091 -1.717 2.533 506 HD2 PHE 64 2HD PHE 64 -7.946 -3.628 2.446 507 HE1 PHE 64 1HE PHE 64 -4.274 -1.175 0.145 508 HE2 PHE 64 2HE PHE 64 -8.230 -2.900 0.105 509 HZ PHE 64 HZ PHE 64 -6.411 -1.632 -1.042 510 H ALA 65 H ALA 65 -8.636 -3.943 6.268 511 HA ALA 65 HA ALA 65 -7.789 -3.670 8.960 512 HB1 ALA 65 1HB ALA 65 -9.230 -6.000 7.649 513 HB2 ALA 65 2HB ALA 65 -9.296 -5.552 9.356 514 HB3 ALA 65 3HB ALA 65 -10.056 -4.476 8.146 515 H THR 66 H THR 66 -5.860 -5.112 6.649 516 HA THR 66 HA THR 66 -4.456 -6.863 8.442 517 HB THR 66 HB THR 66 -5.044 -8.052 5.806 518 HG1 THR 66 1HG THR 66 -7.068 -7.812 7.838 519 HG21 THR 66 1HG2 THR 66 -5.289 -9.252 8.583 520 HG22 THR 66 2HG2 THR 66 -3.866 -9.340 7.514 521 HG23 THR 66 3HG2 THR 66 -5.383 -10.126 7.028 522 H VAL 67 H VAL 67 -2.694 -7.661 7.161 523 HA VAL 67 HA VAL 67 -1.802 -5.763 5.131 524 HB VAL 67 HB VAL 67 -0.598 -8.496 5.584 525 HG11 VAL 67 1HG1 VAL 67 0.311 -5.612 5.323 526 HG12 VAL 67 2HG1 VAL 67 1.384 -7.028 5.085 527 HG13 VAL 67 3HG1 VAL 67 0.018 -6.761 3.938 528 HG21 VAL 67 1HG2 VAL 67 0.242 -6.293 7.448 529 HG22 VAL 67 2HG2 VAL 67 -0.471 -7.880 7.913 530 HG23 VAL 67 3HG2 VAL 67 1.078 -7.777 6.984 531 H SER 68 H SER 68 -2.611 -9.279 5.318 532 HA SER 68 HA SER 68 -2.301 -9.923 2.736 533 HB2 SER 68 2HB SER 68 -4.375 -11.195 4.507 534 HB3 SER 68 3HB SER 68 -3.385 -11.956 3.274 535 HG SER 68 HG SER 68 -2.340 -12.361 5.170 536 H LYS 69 H LYS 69 -5.047 -8.063 3.876 537 HA LYS 69 HA LYS 69 -6.834 -8.314 1.714 538 HB2 LYS 69 2HB LYS 69 -5.691 -5.891 3.225 539 HB3 LYS 69 3HB LYS 69 -7.192 -5.873 2.293 540 HG2 LYS 69 2HG LYS 69 -7.116 -7.868 4.497 541 HG3 LYS 69 3HG LYS 69 -6.848 -6.180 5.021 542 HD2 LYS 69 2HD LYS 69 -9.202 -6.446 5.148 543 HD3 LYS 69 3HD LYS 69 -8.840 -5.508 3.673 544 HE2 LYS 69 2HE LYS 69 -8.554 -8.047 2.702 545 HE3 LYS 69 3HE LYS 69 -9.484 -8.500 4.081 546 HZ1 LYS 69 1HZ LYS 69 -11.366 -7.173 3.185 547 HZ2 LYS 69 2HZ LYS 69 -10.823 -8.186 2.004 548 HZ3 LYS 69 3HZ LYS 69 -10.426 -6.597 1.973 549 H ALA 70 H ALA 70 -4.114 -6.009 2.044 550 HA ALA 70 HA ALA 70 -4.671 -4.626 -0.302 551 HB1 ALA 70 1HB ALA 70 -2.434 -3.719 -0.104 552 HB2 ALA 70 2HB ALA 70 -3.061 -3.999 1.528 553 HB3 ALA 70 3HB ALA 70 -1.899 -5.151 0.800 554 H ARG 71 H ARG 71 -3.360 -7.772 -0.225 555 HA ARG 71 HA ARG 71 -1.891 -7.757 -2.752 556 HB2 ARG 71 2HB ARG 71 -1.736 -9.357 -0.625 557 HB3 ARG 71 3HB ARG 71 -3.028 -10.222 -1.314 558 HG2 ARG 71 2HG ARG 71 -1.743 -11.190 -2.939 559 HG3 ARG 71 3HG ARG 71 -0.962 -9.626 -3.329 560 HD2 ARG 71 2HD ARG 71 0.752 -10.832 -2.586 561 HD3 ARG 71 3HD ARG 71 0.453 -9.940 -1.131 562 HE ARG 71 HE ARG 71 -1.001 -12.204 -0.782 563 HH11 ARG 71 1HH1 ARG 71 2.945 -13.240 -1.264 564 HH12 ARG 71 2HH1 ARG 71 2.345 -11.819 -2.022 565 HH21 ARG 71 1HH2 ARG 71 1.610 -14.594 -0.131 566 HH22 ARG 71 2HH2 ARG 71 -0.024 -14.146 0.246 567 H ALA 72 H ALA 72 -5.098 -8.645 -1.616 568 HA ALA 72 HA ALA 72 -6.109 -9.734 -4.129 569 HB1 ALA 72 1HB ALA 72 -7.372 -9.015 -1.476 570 HB2 ALA 72 2HB ALA 72 -8.146 -9.987 -2.723 571 HB3 ALA 72 3HB ALA 72 -6.610 -10.576 -1.834 572 H TYR 73 H TYR 73 -5.942 -6.617 -2.531 573 HA TYR 73 HA TYR 73 -8.007 -5.281 -4.155 574 HB2 TYR 73 2HB TYR 73 -7.286 -4.424 -1.951 575 HB3 TYR 73 3HB TYR 73 -5.605 -4.274 -2.396 576 HD1 TYR 73 1HD TYR 73 -4.853 -2.419 -3.702 577 HD2 TYR 73 2HD TYR 73 -9.082 -2.889 -2.948 578 HE1 TYR 73 1HE TYR 73 -5.279 -0.062 -4.429 579 HE2 TYR 73 2HE TYR 73 -9.472 -0.564 -3.690 580 HH TYR 73 HH TYR 73 -8.522 1.380 -4.543 581 H LEU 74 H LEU 74 -4.329 -5.602 -4.202 582 HA LEU 74 HA LEU 74 -3.923 -4.080 -6.253 583 HB2 LEU 74 2HB LEU 74 -2.561 -5.997 -4.560 584 HB3 LEU 74 3HB LEU 74 -2.368 -6.642 -6.499 585 HG LEU 74 HG LEU 74 -1.113 -4.529 -6.902 586 HD11 LEU 74 1HD1 LEU 74 -1.670 -3.738 -4.145 587 HD12 LEU 74 2HD1 LEU 74 -2.269 -2.843 -5.501 588 HD13 LEU 74 3HD1 LEU 74 -0.487 -2.885 -5.172 589 HD21 LEU 74 1HD2 LEU 74 0.816 -4.943 -5.520 590 HD22 LEU 74 2HD2 LEU 74 -0.019 -6.534 -5.883 591 HD23 LEU 74 3HD2 LEU 74 -0.281 -5.720 -4.362 592 H GLU 75 H GLU 75 -5.144 -7.229 -6.645 593 HA GLU 75 HA GLU 75 -4.908 -6.998 -9.571 594 HB2 GLU 75 2HB GLU 75 -5.941 -9.397 -9.519 595 HB3 GLU 75 3HB GLU 75 -4.371 -9.084 -9.088 596 HG2 GLU 75 2HG GLU 75 -4.378 -9.333 -6.704 597 HG3 GLU 75 3HG GLU 75 -6.381 -9.476 -6.997 598 H THR 76 H THR 76 -7.084 -6.177 -7.164 599 HA THR 76 HA THR 76 -9.474 -6.239 -8.947 600 HB THR 76 HB THR 76 -9.519 -5.946 -5.918 601 HG1 THR 76 1HG THR 76 -8.728 -7.896 -6.116 602 HG21 THR 76 1HG2 THR 76 -11.547 -5.284 -7.218 603 HG22 THR 76 2HG2 THR 76 -11.833 -6.718 -6.221 604 HG23 THR 76 3HG2 THR 76 -11.580 -6.905 -7.972 605 H LYS 77 H LYS 77 -8.349 -4.476 -9.854 606 HA LYS 77 HA LYS 77 -8.404 -2.342 -10.598 607 HB2 LYS 77 2HB LYS 77 -10.236 -2.193 -8.295 608 HB3 LYS 77 3HB LYS 77 -9.397 -0.695 -8.535 609 HG2 LYS 77 2HG LYS 77 -11.582 -0.839 -9.657 610 HG3 LYS 77 3HG LYS 77 -10.241 -0.569 -10.799 611 HD2 LYS 77 2HD LYS 77 -10.283 -2.977 -11.433 612 HD3 LYS 77 3HD LYS 77 -11.492 -3.307 -10.206 613 HE2 LYS 77 2HE LYS 77 -12.353 -3.166 -12.526 614 HE3 LYS 77 3HE LYS 77 -13.172 -2.070 -11.413 615 HZ1 LYS 77 1HZ LYS 77 -10.822 -1.124 -13.000 616 HZ2 LYS 77 2HZ LYS 77 -12.039 -0.262 -12.399 617 HZ3 LYS 77 3HZ LYS 77 -12.338 -1.196 -13.704 Start of MODEL 7 1 H2 SER 1 2H SER 1 5.566 -6.479 17.980 2 H3 SER 1 3H SER 1 5.191 -8.035 18.422 3 HA SER 1 HA SER 1 5.938 -8.034 16.133 4 HB2 SER 1 2HB SER 1 2.938 -8.536 16.382 5 HB3 SER 1 3HB SER 1 4.090 -9.348 15.263 6 HG SER 1 HG SER 1 3.472 -10.385 17.412 7 H HIS 2 H HIS 2 5.692 -7.070 13.878 8 HA HIS 2 HA HIS 2 3.729 -5.001 13.390 9 HB2 HIS 2 2HB HIS 2 5.350 -3.061 13.534 10 HB3 HIS 2 3HB HIS 2 4.704 -3.665 15.021 11 HD1 HIS 2 1HD HIS 2 6.923 -2.139 15.873 12 HD2 HIS 2 2HD HIS 2 7.590 -5.953 14.224 13 HE1 HIS 2 1HE HIS 2 9.271 -2.836 16.548 14 H MET 3 H MET 3 7.014 -4.310 12.483 15 HA MET 3 HA MET 3 6.779 -4.435 9.648 16 HB2 MET 3 2HB MET 3 9.116 -3.928 9.683 17 HB3 MET 3 3HB MET 3 8.302 -3.029 10.964 18 HG2 MET 3 2HG MET 3 9.078 -4.851 12.598 19 HG3 MET 3 3HG MET 3 10.038 -5.505 11.267 20 HE1 MET 3 1HE MET 3 12.767 -3.978 13.500 21 HE2 MET 3 2HE MET 3 11.255 -4.682 14.109 22 HE3 MET 3 3HE MET 3 12.112 -5.433 12.726 23 H THR 4 H THR 4 5.964 -7.013 10.770 24 HA THR 4 HA THR 4 7.814 -8.840 9.407 25 HB THR 4 HB THR 4 5.575 -9.527 11.257 26 HG1 THR 4 1HG THR 4 8.328 -9.425 11.846 27 HG21 THR 4 1HG2 THR 4 8.016 -11.107 10.345 28 HG22 THR 4 2HG2 THR 4 6.332 -11.405 9.840 29 HG23 THR 4 3HG2 THR 4 6.803 -11.653 11.532 30 H ALA 5 H ALA 5 4.233 -8.591 9.762 31 HA ALA 5 HA ALA 5 3.872 -10.223 7.410 32 HB1 ALA 5 1HB ALA 5 1.511 -9.859 7.830 33 HB2 ALA 5 2HB ALA 5 2.321 -10.141 9.378 34 HB3 ALA 5 3HB ALA 5 1.845 -8.480 8.898 35 H VAL 6 H VAL 6 3.458 -6.797 8.009 36 HA VAL 6 HA VAL 6 2.739 -5.858 5.473 37 HB VAL 6 HB VAL 6 2.688 -4.719 7.693 38 HG11 VAL 6 1HG1 VAL 6 5.510 -3.812 7.032 39 HG12 VAL 6 2HG1 VAL 6 4.490 -3.286 8.384 40 HG13 VAL 6 3HG1 VAL 6 5.059 -4.963 8.316 41 HG21 VAL 6 1HG2 VAL 6 3.678 -3.136 5.285 42 HG22 VAL 6 2HG2 VAL 6 2.008 -3.673 5.587 43 HG23 VAL 6 3HG2 VAL 6 2.755 -2.492 6.663 44 H GLN 7 H GLN 7 5.880 -6.689 6.781 45 HA GLN 7 HA GLN 7 7.435 -5.544 4.599 46 HB2 GLN 7 2HB GLN 7 8.146 -5.895 7.017 47 HB3 GLN 7 3HB GLN 7 8.118 -7.642 6.759 48 HG2 GLN 7 2HG GLN 7 10.430 -6.678 6.631 49 HG3 GLN 7 3HG GLN 7 9.934 -7.554 5.158 50 HE21 GLN 7 1HE2 GLN 7 9.190 -4.227 6.352 51 HE22 GLN 7 2HE2 GLN 7 9.118 -3.725 4.684 52 H ASP 8 H ASP 8 6.660 -8.742 5.609 53 HA ASP 8 HA ASP 8 7.505 -10.367 3.468 54 HB2 ASP 8 2HB ASP 8 6.760 -11.202 5.638 55 HB3 ASP 8 3HB ASP 8 5.127 -10.683 5.331 56 H PHE 9 H PHE 9 4.383 -8.631 3.755 57 HA PHE 9 HA PHE 9 3.434 -9.292 1.093 58 HB2 PHE 9 2HB PHE 9 1.867 -8.467 2.864 59 HB3 PHE 9 3HB PHE 9 2.855 -7.041 3.037 60 HD1 PHE 9 1HD PHE 9 2.545 -5.091 1.782 61 HD2 PHE 9 2HD PHE 9 0.831 -8.780 0.377 62 HE1 PHE 9 1HE PHE 9 1.351 -3.853 0.008 63 HE2 PHE 9 2HE PHE 9 -0.238 -7.517 -1.498 64 HZ PHE 9 HZ PHE 9 -0.051 -5.070 -1.638 65 H VAL 10 H VAL 10 5.014 -6.423 2.456 66 HA VAL 10 HA VAL 10 4.978 -4.792 0.219 67 HB VAL 10 HB VAL 10 6.906 -4.869 2.508 68 HG11 VAL 10 1HG1 VAL 10 7.859 -2.658 1.797 69 HG12 VAL 10 2HG1 VAL 10 8.390 -4.003 0.782 70 HG13 VAL 10 3HG1 VAL 10 7.126 -2.896 0.193 71 HG21 VAL 10 1HG2 VAL 10 5.267 -2.466 1.650 72 HG22 VAL 10 2HG2 VAL 10 4.421 -3.815 2.385 73 HG23 VAL 10 3HG2 VAL 10 5.723 -2.984 3.272 74 H VAL 11 H VAL 11 7.775 -7.014 0.891 75 HA VAL 11 HA VAL 11 9.090 -6.164 -1.474 76 HB VAL 11 HB VAL 11 10.216 -8.681 -1.044 77 HG11 VAL 11 1HG1 VAL 11 11.419 -6.590 -1.680 78 HG12 VAL 11 2HG1 VAL 11 11.031 -5.866 -0.103 79 HG13 VAL 11 3HG1 VAL 11 12.118 -7.269 -0.209 80 HG21 VAL 11 1HG2 VAL 11 9.032 -8.717 1.149 81 HG22 VAL 11 2HG2 VAL 11 10.790 -8.536 1.355 82 HG23 VAL 11 3HG2 VAL 11 9.734 -7.108 1.498 83 H ASP 12 H ASP 12 6.481 -8.222 -1.364 84 HA ASP 12 HA ASP 12 6.863 -9.782 -3.735 85 HB2 ASP 12 2HB ASP 12 5.147 -9.757 -1.682 86 HB3 ASP 12 3HB ASP 12 4.239 -8.614 -2.681 87 H ILE 13 H ILE 13 5.622 -6.545 -3.166 88 HA ILE 13 HA ILE 13 5.244 -5.575 -6.061 89 HB ILE 13 HB ILE 13 5.189 -4.196 -3.398 90 HG12 ILE 13 2HG1 ILE 13 2.801 -3.802 -3.999 91 HG13 ILE 13 3HG1 ILE 13 2.955 -4.987 -5.308 92 HG21 ILE 13 1HG2 ILE 13 4.771 -3.317 -6.291 93 HG22 ILE 13 2HG2 ILE 13 4.381 -2.334 -4.872 94 HG23 ILE 13 3HG2 ILE 13 6.027 -2.750 -5.207 95 HD11 ILE 13 1HD1 ILE 13 3.444 -5.638 -2.358 96 HD12 ILE 13 2HD1 ILE 13 1.855 -5.788 -3.165 97 HD13 ILE 13 3HD1 ILE 13 3.203 -6.779 -3.719 98 H LEU 14 H LEU 14 7.450 -5.120 -3.170 99 HA LEU 14 HA LEU 14 8.683 -3.016 -4.371 100 HB2 LEU 14 2HB LEU 14 8.861 -4.190 -1.832 101 HB3 LEU 14 3HB LEU 14 10.400 -4.597 -2.478 102 HG LEU 14 HG LEU 14 9.251 -1.851 -1.990 103 HD11 LEU 14 1HD1 LEU 14 10.400 -2.994 -0.125 104 HD12 LEU 14 2HD1 LEU 14 11.317 -1.577 -0.673 105 HD13 LEU 14 3HD1 LEU 14 11.851 -3.212 -1.135 106 HD21 LEU 14 1HD2 LEU 14 10.201 -1.590 -4.158 107 HD22 LEU 14 2HD2 LEU 14 11.618 -2.581 -3.751 108 HD23 LEU 14 3HD2 LEU 14 11.418 -0.965 -3.029 109 H LEU 15 H LEU 15 10.070 -6.256 -4.017 110 HA LEU 15 HA LEU 15 12.100 -5.661 -6.093 111 HB2 LEU 15 2HB LEU 15 12.506 -6.951 -3.915 112 HB3 LEU 15 3HB LEU 15 11.706 -8.260 -4.519 113 HG LEU 15 HG LEU 15 13.316 -8.542 -6.372 114 HD11 LEU 15 1HD1 LEU 15 15.475 -7.274 -6.305 115 HD12 LEU 15 2HD1 LEU 15 14.761 -6.174 -5.104 116 HD13 LEU 15 3HD1 LEU 15 14.096 -6.276 -6.762 117 HD21 LEU 15 1HD2 LEU 15 13.657 -9.699 -4.212 118 HD22 LEU 15 2HD2 LEU 15 14.611 -8.322 -3.612 119 HD23 LEU 15 3HD2 LEU 15 15.203 -9.301 -4.974 120 H ASN 16 H ASN 16 9.649 -8.100 -5.160 121 HA ASN 16 HA ASN 16 10.431 -9.531 -7.309 122 HB2 ASN 16 2HB ASN 16 7.696 -10.027 -6.039 123 HB3 ASN 16 3HB ASN 16 8.694 -11.185 -6.861 124 HD21 ASN 16 1HD2 ASN 16 11.106 -9.928 -5.180 125 HD22 ASN 16 2HD2 ASN 16 10.775 -10.651 -3.595 126 H GLY 17 H GLY 17 8.310 -6.985 -7.023 127 HA2 GLY 17 2HA GLY 17 7.137 -5.631 -8.444 128 HA3 GLY 17 3HA GLY 17 7.447 -6.666 -9.775 129 H ALA 18 H ALA 18 5.148 -5.265 -9.051 130 HA ALA 18 HA ALA 18 3.269 -6.941 -7.738 131 HB1 ALA 18 1HB ALA 18 1.791 -4.975 -8.040 132 HB2 ALA 18 2HB ALA 18 3.417 -4.441 -7.623 133 HB3 ALA 18 3HB ALA 18 2.877 -4.338 -9.297 134 H ARG 19 H ARG 19 1.099 -6.924 -8.500 135 HA ARG 19 HA ARG 19 -0.026 -7.662 -11.080 136 HB2 ARG 19 2HB ARG 19 -0.787 -6.844 -8.368 137 HB3 ARG 19 3HB ARG 19 -1.476 -5.700 -9.492 138 HG2 ARG 19 2HG ARG 19 -3.089 -7.310 -9.359 139 HG3 ARG 19 3HG ARG 19 -2.277 -7.777 -10.850 140 HD2 ARG 19 2HD ARG 19 -0.808 -9.221 -9.060 141 HD3 ARG 19 3HD ARG 19 -2.286 -9.098 -8.145 142 HE ARG 19 HE ARG 19 -3.362 -10.518 -9.598 143 HH11 ARG 19 1HH1 ARG 19 -0.198 -11.141 -12.005 144 HH12 ARG 19 2HH1 ARG 19 -0.108 -9.817 -10.904 145 HH21 ARG 19 1HH2 ARG 19 -2.114 -12.368 -12.214 146 HH22 ARG 19 2HH2 ARG 19 -3.450 -12.016 -11.160 147 H ASP 20 H ASP 20 -1.547 -5.763 -11.578 148 HA ASP 20 HA ASP 20 -0.422 -4.422 -13.683 149 HB2 ASP 20 2HB ASP 20 -2.995 -3.948 -12.131 150 HB3 ASP 20 3HB ASP 20 -2.648 -3.468 -13.738 151 H TRP 21 H TRP 21 0.576 -3.481 -10.790 152 HA TRP 21 HA TRP 21 0.263 -0.575 -11.029 153 HB2 TRP 21 2HB TRP 21 1.369 -2.241 -8.672 154 HB3 TRP 21 3HB TRP 21 0.997 -0.548 -8.744 155 HD1 TRP 21 1HD TRP 21 -1.432 -3.460 -9.808 156 HE1 TRP 21 1HE TRP 21 -3.639 -3.087 -8.662 157 HE3 TRP 21 3HE TRP 21 -0.108 0.509 -7.004 158 HZ2 TRP 21 2HZ TRP 21 -4.847 -0.996 -7.011 159 HZ3 TRP 21 3HZ TRP 21 -1.925 1.890 -5.807 160 HH2 TRP 21 2HH TRP 21 -4.190 1.022 -5.669 161 H ASP 22 H ASP 22 1.985 0.710 -10.680 162 HA ASP 22 HA ASP 22 4.631 -0.152 -11.773 163 HB2 ASP 22 2HB ASP 22 3.619 1.727 -13.040 164 HB3 ASP 22 3HB ASP 22 3.548 2.686 -11.573 165 H VAL 23 H VAL 23 6.506 0.900 -10.449 166 HA VAL 23 HA VAL 23 5.833 -0.054 -7.769 167 HB VAL 23 HB VAL 23 6.968 -1.476 -9.927 168 HG11 VAL 23 1HG1 VAL 23 9.476 -0.743 -8.485 169 HG12 VAL 23 2HG1 VAL 23 9.224 -1.999 -9.703 170 HG13 VAL 23 3HG1 VAL 23 9.035 -0.303 -10.152 171 HG21 VAL 23 1HG2 VAL 23 7.323 -1.907 -7.017 172 HG22 VAL 23 2HG2 VAL 23 5.939 -2.248 -8.097 173 HG23 VAL 23 3HG2 VAL 23 7.456 -3.141 -8.351 174 H LEU 24 H LEU 24 5.959 1.465 -6.667 175 HA LEU 24 HA LEU 24 8.002 3.629 -7.310 176 HB2 LEU 24 2HB LEU 24 5.005 3.651 -6.967 177 HB3 LEU 24 3HB LEU 24 5.859 4.836 -6.277 178 HG LEU 24 HG LEU 24 4.990 5.533 -8.357 179 HD11 LEU 24 1HD1 LEU 24 6.986 6.535 -7.392 180 HD12 LEU 24 2HD1 LEU 24 6.919 6.694 -9.182 181 HD13 LEU 24 3HD1 LEU 24 7.971 5.462 -8.413 182 HD21 LEU 24 1HD2 LEU 24 5.827 4.828 -10.504 183 HD22 LEU 24 2HD2 LEU 24 5.073 3.450 -9.634 184 HD23 LEU 24 3HD2 LEU 24 6.852 3.626 -9.707 185 H GLN 25 H GLN 25 9.158 4.069 -5.823 186 HA GLN 25 HA GLN 25 8.412 3.541 -2.843 187 HB2 GLN 25 2HB GLN 25 11.175 3.846 -3.943 188 HB3 GLN 25 3HB GLN 25 10.637 3.599 -2.306 189 HG2 GLN 25 2HG GLN 25 10.234 1.719 -4.779 190 HG3 GLN 25 3HG GLN 25 11.399 1.496 -3.575 191 HE21 GLN 25 1HE2 GLN 25 8.195 0.637 -4.478 192 HE22 GLN 25 2HE2 GLN 25 7.859 -0.170 -2.979 193 H THR 26 H THR 26 7.050 5.419 -2.975 194 HA THR 26 HA THR 26 8.643 7.675 -2.219 195 HB THR 26 HB THR 26 7.974 8.291 -4.389 196 HG1 THR 26 1HG THR 26 7.090 10.143 -3.936 197 HG21 THR 26 1HG2 THR 26 5.688 8.337 -5.274 198 HG22 THR 26 2HG2 THR 26 5.092 7.596 -3.802 199 HG23 THR 26 3HG2 THR 26 6.155 6.668 -4.877 200 H THR 27 H THR 27 6.403 9.274 -1.297 201 HA THR 27 HA THR 27 5.016 7.628 0.650 202 HB THR 27 HB THR 27 5.479 8.909 2.562 203 HG1 THR 27 1HG THR 27 6.123 10.751 0.997 204 HG21 THR 27 1HG2 THR 27 7.752 8.335 3.141 205 HG22 THR 27 2HG2 THR 27 8.180 8.163 1.426 206 HG23 THR 27 3HG2 THR 27 7.049 7.016 2.182 207 H CYS 28 H CYS 28 3.084 8.553 1.043 208 HA CYS 28 HA CYS 28 2.217 10.911 -0.482 209 HB2 CYS 28 2HB CYS 28 1.118 9.021 -1.162 210 HB3 CYS 28 3HB CYS 28 1.157 8.249 0.401 211 HG CYS 28 HG CYS 28 -1.365 8.776 -0.563 212 H THR 29 H THR 29 0.514 12.147 0.621 213 HA THR 29 HA THR 29 0.618 11.969 3.561 214 HB THR 29 HB THR 29 0.482 14.663 2.071 215 HG1 THR 29 1HG THR 29 2.533 13.551 1.851 216 HG21 THR 29 1HG2 THR 29 1.116 14.064 4.987 217 HG22 THR 29 2HG2 THR 29 -0.419 14.720 4.377 218 HG23 THR 29 3HG2 THR 29 1.073 15.675 4.244 219 H VAL 30 H VAL 30 -1.086 11.693 4.430 220 HA VAL 30 HA VAL 30 -3.591 13.016 3.610 221 HB VAL 30 HB VAL 30 -3.425 9.993 3.290 222 HG11 VAL 30 1HG1 VAL 30 -5.487 10.309 4.452 223 HG12 VAL 30 2HG1 VAL 30 -5.885 11.780 3.507 224 HG13 VAL 30 3HG1 VAL 30 -5.926 10.201 2.736 225 HG21 VAL 30 1HG2 VAL 30 -2.881 11.142 1.211 226 HG22 VAL 30 2HG2 VAL 30 -4.501 10.496 1.075 227 HG23 VAL 30 3HG2 VAL 30 -4.290 12.216 1.391 228 H ASP 31 H ASP 31 -5.248 12.877 5.130 229 HA ASP 31 HA ASP 31 -6.091 13.185 7.214 230 HB2 ASP 31 2HB ASP 31 -4.635 10.534 7.696 231 HB3 ASP 31 3HB ASP 31 -5.714 11.295 8.866 232 H ARG 32 H ARG 32 -3.276 14.166 6.597 233 HA ARG 32 HA ARG 32 -1.654 15.465 7.507 234 HB2 ARG 32 2HB ARG 32 -2.938 15.131 10.254 235 HB3 ARG 32 3HB ARG 32 -1.660 16.245 9.801 236 HG2 ARG 32 2HG ARG 32 -3.152 17.404 8.211 237 HG3 ARG 32 3HG ARG 32 -4.483 16.316 8.644 238 HD2 ARG 32 2HD ARG 32 -4.559 17.081 10.896 239 HD3 ARG 32 3HD ARG 32 -2.999 17.921 10.757 240 HE ARG 32 HE ARG 32 -5.614 18.933 9.969 241 HH11 ARG 32 1HH1 ARG 32 -2.284 21.051 9.332 242 HH12 ARG 32 2HH1 ARG 32 -2.165 19.344 9.193 243 HH21 ARG 32 1HH2 ARG 32 -4.340 22.056 9.271 244 HH22 ARG 32 2HH2 ARG 32 -5.717 21.165 9.837 245 H LYS 33 H LYS 33 -1.777 12.440 7.494 246 HA LYS 33 HA LYS 33 0.670 11.858 9.029 247 HB2 LYS 33 2HB LYS 33 -1.239 10.453 9.840 248 HB3 LYS 33 3HB LYS 33 -1.477 9.844 8.199 249 HG2 LYS 33 2HG LYS 33 0.511 8.645 8.197 250 HG3 LYS 33 3HG LYS 33 1.271 9.664 9.416 251 HD2 LYS 33 2HD LYS 33 0.966 7.948 10.805 252 HD3 LYS 33 3HD LYS 33 -0.702 8.544 10.933 253 HE2 LYS 33 2HE LYS 33 -1.169 7.070 8.855 254 HE3 LYS 33 3HE LYS 33 0.429 6.345 9.124 255 HZ1 LYS 33 1HZ LYS 33 -1.878 6.309 10.977 256 HZ2 LYS 33 2HZ LYS 33 -0.339 5.748 11.371 257 HZ3 LYS 33 3HZ LYS 33 -1.184 5.031 10.150 258 H VAL 34 H VAL 34 2.028 10.338 7.746 259 HA VAL 34 HA VAL 34 1.736 10.715 4.837 260 HB VAL 34 HB VAL 34 4.058 10.727 6.659 261 HG11 VAL 34 1HG1 VAL 34 5.677 10.659 4.757 262 HG12 VAL 34 2HG1 VAL 34 4.736 9.161 4.829 263 HG13 VAL 34 3HG1 VAL 34 4.317 10.416 3.631 264 HG21 VAL 34 1HG2 VAL 34 3.350 12.632 4.428 265 HG22 VAL 34 2HG2 VAL 34 3.097 12.920 6.167 266 HG23 VAL 34 3HG2 VAL 34 4.744 12.802 5.520 267 H TYR 35 H TYR 35 1.941 8.825 3.690 268 HA TYR 35 HA TYR 35 2.287 6.223 5.149 269 HB2 TYR 35 2HB TYR 35 0.441 6.810 2.809 270 HB3 TYR 35 3HB TYR 35 0.685 5.255 3.622 271 HD1 TYR 35 1HD TYR 35 -0.767 8.585 3.891 272 HD2 TYR 35 2HD TYR 35 -0.138 4.765 5.798 273 HE1 TYR 35 1HE TYR 35 -2.506 9.162 5.567 274 HE2 TYR 35 2HE TYR 35 -1.996 5.264 7.415 275 HH TYR 35 HH TYR 35 -3.720 6.757 7.933 276 H LYS 36 H LYS 36 3.570 4.754 4.098 277 HA LYS 36 HA LYS 36 5.138 6.020 1.934 278 HB2 LYS 36 2HB LYS 36 5.724 3.580 3.534 279 HB3 LYS 36 3HB LYS 36 6.874 4.529 2.681 280 HG2 LYS 36 2HG LYS 36 7.193 5.999 4.405 281 HG3 LYS 36 3HG LYS 36 5.498 6.104 4.774 282 HD2 LYS 36 2HD LYS 36 6.585 5.194 6.661 283 HD3 LYS 36 3HD LYS 36 5.560 3.922 5.970 284 HE2 LYS 36 2HE LYS 36 7.510 2.870 4.943 285 HE3 LYS 36 3HE LYS 36 8.549 4.241 5.373 286 HZ1 LYS 36 1HZ LYS 36 7.342 2.335 7.284 287 HZ2 LYS 36 2HZ LYS 36 8.098 3.719 7.727 288 HZ3 LYS 36 3HZ LYS 36 8.956 2.548 6.952 289 H THR 37 H THR 37 5.306 5.235 -0.144 290 HA THR 37 HA THR 37 3.049 3.498 -0.879 291 HB THR 37 HB THR 37 3.111 4.365 -3.009 292 HG1 THR 37 1HG THR 37 5.370 4.090 -3.399 293 HG21 THR 37 1HG2 THR 37 4.223 6.779 -1.516 294 HG22 THR 37 2HG2 THR 37 2.585 6.190 -1.265 295 HG23 THR 37 3HG2 THR 37 3.075 6.764 -2.859 296 H ILE 38 H ILE 38 3.295 1.678 -2.050 297 HA ILE 38 HA ILE 38 6.116 0.697 -2.470 298 HB ILE 38 HB ILE 38 3.764 -1.120 -3.043 299 HG12 ILE 38 2HG1 ILE 38 4.576 -0.295 -0.146 300 HG13 ILE 38 3HG1 ILE 38 2.999 -0.109 -0.896 301 HG21 ILE 38 1HG2 ILE 38 5.577 -2.690 -1.976 302 HG22 ILE 38 2HG2 ILE 38 6.343 -1.668 -3.188 303 HG23 ILE 38 3HG2 ILE 38 6.512 -1.289 -1.486 304 HD11 ILE 38 1HD1 ILE 38 2.690 -2.518 -1.172 305 HD12 ILE 38 2HD1 ILE 38 4.206 -2.806 -0.302 306 HD13 ILE 38 3HD1 ILE 38 2.867 -2.019 0.538 307 H CYS 39 H CYS 39 3.043 1.259 -3.931 308 HA CYS 39 HA CYS 39 4.111 1.171 -6.632 309 HB2 CYS 39 2HB CYS 39 2.448 -0.841 -7.169 310 HB3 CYS 39 3HB CYS 39 3.691 -1.042 -6.546 311 HG CYS 39 HG CYS 39 2.278 -0.621 -3.912 312 H LYS 40 H LYS 40 2.805 2.193 -8.066 313 HA LYS 40 HA LYS 40 0.212 2.936 -7.090 314 HB2 LYS 40 2HB LYS 40 0.181 5.088 -8.062 315 HB3 LYS 40 3HB LYS 40 1.760 5.094 -7.326 316 HG2 LYS 40 2HG LYS 40 2.926 4.875 -9.119 317 HG3 LYS 40 3HG LYS 40 1.591 4.278 -10.164 318 HD2 LYS 40 2HD LYS 40 0.506 6.672 -9.357 319 HD3 LYS 40 3HD LYS 40 2.245 6.992 -9.185 320 HE2 LYS 40 2HE LYS 40 2.450 6.165 -11.610 321 HE3 LYS 40 3HE LYS 40 0.760 5.705 -11.562 322 HZ1 LYS 40 1HZ LYS 40 1.770 8.509 -11.531 323 HZ2 LYS 40 2HZ LYS 40 0.180 8.076 -11.432 324 HZ3 LYS 40 3HZ LYS 40 1.071 7.757 -12.786 325 H ARG 41 H ARG 41 -1.504 3.158 -8.431 326 HA ARG 41 HA ARG 41 -1.014 2.457 -11.240 327 HB2 ARG 41 2HB ARG 41 -1.805 0.347 -10.143 328 HB3 ARG 41 3HB ARG 41 -3.257 1.216 -9.644 329 HG2 ARG 41 2HG ARG 41 -3.372 1.807 -12.240 330 HG3 ARG 41 3HG ARG 41 -2.305 0.476 -12.426 331 HD2 ARG 41 2HD ARG 41 -3.798 -0.961 -11.131 332 HD3 ARG 41 3HD ARG 41 -4.936 0.352 -10.831 333 HE ARG 41 HE ARG 41 -4.448 -0.988 -13.498 334 HH11 ARG 41 1HH1 ARG 41 -8.130 0.229 -12.468 335 HH12 ARG 41 2HH1 ARG 41 -6.850 0.664 -11.381 336 HH21 ARG 41 1HH2 ARG 41 -7.736 -1.021 -14.308 337 HH22 ARG 41 2HH2 ARG 41 -6.081 -1.490 -14.685 338 H GLY 42 H GLY 42 -1.665 4.096 -12.222 339 HA2 GLY 42 2HA GLY 42 -2.935 5.983 -12.848 340 HA3 GLY 42 3HA GLY 42 -4.247 5.355 -11.871 341 H ASN 43 H ASN 43 -4.911 6.781 -10.600 342 HA ASN 43 HA ASN 43 -3.109 8.632 -9.108 343 HB2 ASN 43 2HB ASN 43 -5.010 9.988 -8.700 344 HB3 ASN 43 3HB ASN 43 -4.934 9.575 -10.405 345 HD21 ASN 43 1HD2 ASN 43 -6.410 6.889 -8.652 346 HD22 ASN 43 2HD2 ASN 43 -8.035 7.468 -8.907 347 H THR 44 H THR 44 -3.707 5.650 -8.661 348 HA THR 44 HA THR 44 -4.090 5.978 -5.697 349 HB THR 44 HB THR 44 -5.964 4.803 -6.630 350 HG1 THR 44 1HG THR 44 -5.912 4.156 -4.705 351 HG21 THR 44 1HG2 THR 44 -5.680 2.305 -7.044 352 HG22 THR 44 2HG2 THR 44 -4.037 2.741 -7.561 353 HG23 THR 44 3HG2 THR 44 -5.464 3.441 -8.356 354 H TYR 45 H TYR 45 -2.860 4.426 -4.292 355 HA TYR 45 HA TYR 45 -0.202 3.884 -5.149 356 HB2 TYR 45 2HB TYR 45 -0.858 6.232 -3.318 357 HB3 TYR 45 3HB TYR 45 0.657 5.377 -3.302 358 HD1 TYR 45 1HD TYR 45 2.427 5.977 -4.853 359 HD2 TYR 45 2HD TYR 45 -1.630 7.215 -5.518 360 HE1 TYR 45 1HE TYR 45 3.269 7.644 -6.385 361 HE2 TYR 45 2HE TYR 45 -0.840 8.828 -7.269 362 HH TYR 45 HH TYR 45 2.646 9.384 -7.872 363 H LEU 46 H LEU 46 -0.234 2.047 -4.103 364 HA LEU 46 HA LEU 46 -1.854 1.530 -1.685 365 HB2 LEU 46 2HB LEU 46 -0.514 0.031 -3.857 366 HB3 LEU 46 3HB LEU 46 0.181 -0.245 -2.444 367 HG LEU 46 HG LEU 46 -1.377 -1.966 -2.895 368 HD11 LEU 46 1HD1 LEU 46 -1.460 -1.826 -0.504 369 HD12 LEU 46 2HD1 LEU 46 -3.093 -2.168 -1.171 370 HD13 LEU 46 3HD1 LEU 46 -2.680 -0.530 -0.590 371 HD21 LEU 46 1HD2 LEU 46 -2.875 -0.687 -4.259 372 HD22 LEU 46 2HD2 LEU 46 -3.441 0.257 -2.824 373 HD23 LEU 46 3HD2 LEU 46 -3.834 -1.461 -3.014 374 H CYS 47 H CYS 47 -1.037 2.005 0.263 375 HA CYS 47 HA CYS 47 1.895 2.351 0.577 376 HB2 CYS 47 2HB CYS 47 -0.234 4.091 1.896 377 HB3 CYS 47 3HB CYS 47 1.517 4.350 1.854 378 HG CYS 47 HG CYS 47 0.245 6.163 0.377 379 H PHE 48 H PHE 48 2.484 2.519 2.958 380 HA PHE 48 HA PHE 48 0.848 0.672 4.597 381 HB2 PHE 48 2HB PHE 48 2.677 -0.760 4.928 382 HB3 PHE 48 3HB PHE 48 2.574 -0.500 3.182 383 HD1 PHE 48 1HD PHE 48 4.531 -0.071 6.179 384 HD2 PHE 48 2HD PHE 48 4.249 0.650 1.978 385 HE1 PHE 48 1HE PHE 48 6.987 0.156 6.091 386 HE2 PHE 48 2HE PHE 48 6.721 0.888 1.818 387 HZ PHE 48 HZ PHE 48 8.130 0.600 3.888 388 H ASP 49 H ASP 49 1.276 0.447 6.718 389 HA ASP 49 HA ASP 49 3.103 2.503 7.959 390 HB2 ASP 49 2HB ASP 49 0.564 1.531 9.210 391 HB3 ASP 49 3HB ASP 49 1.677 2.671 9.931 392 H ASP 50 H ASP 50 2.699 1.514 10.550 393 HA ASP 50 HA ASP 50 4.398 -0.720 10.482 394 HB2 ASP 50 2HB ASP 50 3.050 0.661 12.810 395 HB3 ASP 50 3HB ASP 50 4.478 -0.337 12.968 396 H THR 51 H THR 51 1.252 -0.722 10.196 397 HA THR 51 HA THR 51 0.479 -2.947 12.056 398 HB THR 51 HB THR 51 -1.775 -1.736 11.878 399 HG1 THR 51 1HG THR 51 -1.274 0.579 11.093 400 HG21 THR 51 1HG2 THR 51 -0.249 -1.189 13.778 401 HG22 THR 51 2HG2 THR 51 -1.246 0.193 13.241 402 HG23 THR 51 3HG2 THR 51 0.474 0.109 12.796 403 H ASN 52 H ASN 52 0.384 -1.931 8.673 404 HA ASN 52 HA ASN 52 -1.151 -3.644 7.386 405 HB2 ASN 52 2HB ASN 52 -3.304 -2.758 7.304 406 HB3 ASN 52 3HB ASN 52 -3.080 -3.519 8.853 407 HD21 ASN 52 1HD2 ASN 52 -3.144 -0.295 7.208 408 HD22 ASN 52 2HD2 ASN 52 -3.535 0.580 8.663 409 H LEU 53 H LEU 53 -2.739 -2.169 5.868 410 HA LEU 53 HA LEU 53 -0.852 -0.439 4.367 411 HB2 LEU 53 2HB LEU 53 -2.628 -2.838 3.671 412 HB3 LEU 53 3HB LEU 53 -1.852 -1.857 2.439 413 HG LEU 53 HG LEU 53 -0.442 -3.430 4.681 414 HD11 LEU 53 1HD1 LEU 53 -1.289 -4.846 2.981 415 HD12 LEU 53 2HD1 LEU 53 0.478 -4.710 2.965 416 HD13 LEU 53 3HD1 LEU 53 -0.475 -3.846 1.730 417 HD21 LEU 53 1HD2 LEU 53 1.649 -2.893 3.359 418 HD22 LEU 53 2HD2 LEU 53 0.872 -1.575 4.215 419 HD23 LEU 53 3HD2 LEU 53 0.683 -1.710 2.443 420 H TYR 54 H TYR 54 -2.048 0.735 2.556 421 HA TYR 54 HA TYR 54 -4.838 1.276 3.109 422 HB2 TYR 54 2HB TYR 54 -3.105 3.738 3.204 423 HB3 TYR 54 3HB TYR 54 -4.785 3.539 3.495 424 HD1 TYR 54 1HD TYR 54 -5.445 3.942 5.625 425 HD2 TYR 54 2HD TYR 54 -1.607 2.094 5.080 426 HE1 TYR 54 1HE TYR 54 -5.202 3.853 8.001 427 HE2 TYR 54 2HE TYR 54 -1.487 1.646 7.509 428 HH TYR 54 HH TYR 54 -3.970 3.021 9.761 429 H ALA 55 H ALA 55 -5.840 1.881 1.081 430 HA ALA 55 HA ALA 55 -3.929 2.484 -1.182 431 HB1 ALA 55 1HB ALA 55 -5.498 0.582 -1.591 432 HB2 ALA 55 2HB ALA 55 -6.877 1.626 -1.191 433 HB3 ALA 55 3HB ALA 55 -5.890 1.967 -2.621 434 H ILE 56 H ILE 56 -3.438 4.536 -1.154 435 HA ILE 56 HA ILE 56 -5.567 6.494 -0.513 436 HB ILE 56 HB ILE 56 -2.667 6.904 -1.017 437 HG12 ILE 56 2HG1 ILE 56 -3.219 8.238 1.295 438 HG13 ILE 56 3HG1 ILE 56 -4.504 7.048 1.357 439 HG21 ILE 56 1HG2 ILE 56 -3.298 9.403 -0.574 440 HG22 ILE 56 2HG2 ILE 56 -3.909 8.751 -2.141 441 HG23 ILE 56 3HG2 ILE 56 -4.970 8.873 -0.724 442 HD11 ILE 56 1HD1 ILE 56 -2.753 5.241 1.266 443 HD12 ILE 56 2HD1 ILE 56 -1.523 6.524 1.247 444 HD13 ILE 56 3HD1 ILE 56 -2.583 6.348 2.644 445 H THR 57 H THR 57 -6.880 6.962 -2.052 446 HA THR 57 HA THR 57 -6.020 6.933 -4.915 447 HB THR 57 HB THR 57 -8.809 6.488 -3.779 448 HG1 THR 57 1HG THR 57 -7.740 4.690 -3.297 449 HG21 THR 57 1HG2 THR 57 -7.593 6.143 -6.550 450 HG22 THR 57 2HG2 THR 57 -8.811 7.357 -6.081 451 HG23 THR 57 3HG2 THR 57 -9.235 5.631 -6.081 452 H GLY 58 H GLY 58 -5.569 9.010 -5.420 453 HA2 GLY 58 2HA GLY 58 -5.637 11.339 -5.419 454 HA3 GLY 58 3HA GLY 58 -7.310 11.255 -4.927 455 H ASP 59 H ASP 59 -7.872 11.344 -2.776 456 HA ASP 59 HA ASP 59 -5.797 11.461 -0.697 457 HB2 ASP 59 2HB ASP 59 -7.035 13.487 0.316 458 HB3 ASP 59 3HB ASP 59 -5.814 13.695 -0.934 459 H VAL 60 H VAL 60 -8.024 9.791 -1.758 460 HA VAL 60 HA VAL 60 -9.736 9.321 0.710 461 HB VAL 60 HB VAL 60 -9.681 7.848 -1.880 462 HG11 VAL 60 1HG1 VAL 60 -11.689 6.731 -1.153 463 HG12 VAL 60 2HG1 VAL 60 -10.219 6.188 -0.244 464 HG13 VAL 60 3HG1 VAL 60 -11.367 7.415 0.427 465 HG21 VAL 60 1HG2 VAL 60 -11.627 9.755 -0.848 466 HG22 VAL 60 2HG2 VAL 60 -10.547 10.056 -2.253 467 HG23 VAL 60 3HG2 VAL 60 -11.855 8.800 -2.328 468 H VAL 61 H VAL 61 -8.352 8.543 2.171 469 HA VAL 61 HA VAL 61 -6.462 6.308 1.615 470 HB VAL 61 HB VAL 61 -5.784 8.073 3.112 471 HG11 VAL 61 1HG1 VAL 61 -8.005 8.573 4.307 472 HG12 VAL 61 2HG1 VAL 61 -7.684 7.057 5.210 473 HG13 VAL 61 3HG1 VAL 61 -6.548 8.377 5.323 474 HG21 VAL 61 1HG2 VAL 61 -6.042 5.493 4.528 475 HG22 VAL 61 2HG2 VAL 61 -4.823 5.843 3.235 476 HG23 VAL 61 3HG2 VAL 61 -4.797 6.727 4.817 477 H LEU 62 H LEU 62 -7.288 4.472 1.290 478 HA LEU 62 HA LEU 62 -9.511 3.432 2.983 479 HB2 LEU 62 2HB LEU 62 -10.047 3.349 0.778 480 HB3 LEU 62 3HB LEU 62 -8.498 2.871 0.174 481 HG LEU 62 HG LEU 62 -8.883 0.549 0.624 482 HD11 LEU 62 1HD1 LEU 62 -9.456 0.360 2.950 483 HD12 LEU 62 2HD1 LEU 62 -10.807 -0.302 2.101 484 HD13 LEU 62 3HD1 LEU 62 -10.921 1.340 2.799 485 HD21 LEU 62 1HD2 LEU 62 -11.158 0.119 -0.186 486 HD22 LEU 62 2HD2 LEU 62 -10.503 1.560 -0.984 487 HD23 LEU 62 3HD2 LEU 62 -11.682 1.752 0.353 488 H LYS 63 H LYS 63 -8.411 3.101 4.759 489 HA LYS 63 HA LYS 63 -6.105 1.409 5.047 490 HB2 LYS 63 2HB LYS 63 -6.240 1.568 7.221 491 HB3 LYS 63 3HB LYS 63 -7.152 2.988 6.807 492 HG2 LYS 63 2HG LYS 63 -9.118 2.253 7.720 493 HG3 LYS 63 3HG LYS 63 -8.799 0.555 7.412 494 HD2 LYS 63 2HD LYS 63 -7.465 2.193 9.591 495 HD3 LYS 63 3HD LYS 63 -8.743 0.977 9.784 496 HE2 LYS 63 2HE LYS 63 -7.155 -0.701 8.653 497 HE3 LYS 63 3HE LYS 63 -5.898 0.516 8.795 498 HZ1 LYS 63 1HZ LYS 63 -7.261 -0.827 11.057 499 HZ2 LYS 63 2HZ LYS 63 -6.282 0.463 11.231 500 HZ3 LYS 63 3HZ LYS 63 -5.675 -0.913 10.592 501 H PHE 64 H PHE 64 -5.676 -0.678 5.116 502 HA PHE 64 HA PHE 64 -7.868 -2.638 4.748 503 HB2 PHE 64 2HB PHE 64 -4.893 -2.860 4.547 504 HB3 PHE 64 3HB PHE 64 -5.980 -4.122 4.374 505 HD1 PHE 64 1HD PHE 64 -4.269 -1.596 2.612 506 HD2 PHE 64 2HD PHE 64 -8.067 -3.602 2.631 507 HE1 PHE 64 1HE PHE 64 -4.650 -0.885 0.289 508 HE2 PHE 64 2HE PHE 64 -8.422 -2.933 0.289 509 HZ PHE 64 HZ PHE 64 -6.676 -1.602 -0.917 510 H ALA 65 H ALA 65 -8.444 -4.046 6.444 511 HA ALA 65 HA ALA 65 -7.419 -3.695 9.127 512 HB1 ALA 65 1HB ALA 65 -8.818 -5.608 9.654 513 HB2 ALA 65 2HB ALA 65 -9.717 -4.576 8.507 514 HB3 ALA 65 3HB ALA 65 -8.909 -6.066 7.949 515 H THR 66 H THR 66 -5.804 -5.177 6.459 516 HA THR 66 HA THR 66 -4.121 -6.910 8.083 517 HB THR 66 HB THR 66 -4.989 -8.199 5.649 518 HG1 THR 66 1HG THR 66 -6.815 -8.230 7.869 519 HG21 THR 66 1HG2 THR 66 -3.682 -9.426 7.290 520 HG22 THR 66 2HG2 THR 66 -5.274 -10.177 7.084 521 HG23 THR 66 3HG2 THR 66 -4.955 -9.204 8.531 522 H VAL 67 H VAL 67 -2.599 -7.779 6.746 523 HA VAL 67 HA VAL 67 -1.794 -5.947 4.693 524 HB VAL 67 HB VAL 67 -0.514 -8.627 4.969 525 HG11 VAL 67 1HG1 VAL 67 1.404 -7.051 4.709 526 HG12 VAL 67 2HG1 VAL 67 0.072 -6.708 3.542 527 HG13 VAL 67 3HG1 VAL 67 0.266 -5.695 5.049 528 HG21 VAL 67 1HG2 VAL 67 -0.549 -8.273 7.360 529 HG22 VAL 67 2HG2 VAL 67 1.033 -8.047 6.543 530 HG23 VAL 67 3HG2 VAL 67 0.137 -6.618 7.128 531 H SER 68 H SER 68 -3.039 -9.357 4.802 532 HA SER 68 HA SER 68 -2.658 -10.063 2.110 533 HB2 SER 68 2HB SER 68 -4.583 -11.631 2.511 534 HB3 SER 68 3HB SER 68 -3.330 -11.706 3.758 535 HG SER 68 HG SER 68 -5.647 -11.557 4.465 536 H LYS 69 H LYS 69 -5.224 -8.039 3.547 537 HA LYS 69 HA LYS 69 -7.079 -8.056 1.475 538 HB2 LYS 69 2HB LYS 69 -6.116 -5.608 2.982 539 HB3 LYS 69 3HB LYS 69 -7.728 -5.890 2.330 540 HG2 LYS 69 2HG LYS 69 -7.057 -7.892 4.376 541 HG3 LYS 69 3HG LYS 69 -6.643 -6.273 4.945 542 HD2 LYS 69 2HD LYS 69 -8.887 -6.517 5.612 543 HD3 LYS 69 3HD LYS 69 -8.904 -5.511 4.129 544 HE2 LYS 69 2HE LYS 69 -8.867 -8.104 3.085 545 HE3 LYS 69 3HE LYS 69 -9.512 -8.472 4.643 546 HZ1 LYS 69 1HZ LYS 69 -11.273 -6.670 4.023 547 HZ2 LYS 69 2HZ LYS 69 -11.394 -8.188 3.421 548 HZ3 LYS 69 3HZ LYS 69 -10.826 -6.957 2.478 549 H ALA 70 H ALA 70 -4.361 -5.861 1.872 550 HA ALA 70 HA ALA 70 -4.671 -4.309 -0.421 551 HB1 ALA 70 1HB ALA 70 -2.200 -3.920 -0.103 552 HB2 ALA 70 2HB ALA 70 -3.129 -3.822 1.423 553 HB3 ALA 70 3HB ALA 70 -2.182 -5.278 0.993 554 H ARG 71 H ARG 71 -3.496 -7.642 -0.247 555 HA ARG 71 HA ARG 71 -2.084 -7.491 -2.854 556 HB2 ARG 71 2HB ARG 71 -1.592 -9.096 -0.795 557 HB3 ARG 71 3HB ARG 71 -2.965 -10.006 -1.404 558 HG2 ARG 71 2HG ARG 71 -1.770 -10.883 -3.142 559 HG3 ARG 71 3HG ARG 71 -1.029 -9.337 -3.537 560 HD2 ARG 71 2HD ARG 71 0.676 -10.875 -2.966 561 HD3 ARG 71 3HD ARG 71 0.633 -9.630 -1.710 562 HE ARG 71 HE ARG 71 -0.910 -12.034 -1.099 563 HH11 ARG 71 1HH1 ARG 71 2.933 -11.761 0.161 564 HH12 ARG 71 2HH1 ARG 71 2.446 -10.921 -1.284 565 HH21 ARG 71 1HH2 ARG 71 1.629 -13.223 1.025 566 HH22 ARG 71 2HH2 ARG 71 -0.032 -13.444 0.478 567 H ALA 72 H ALA 72 -5.133 -8.622 -1.568 568 HA ALA 72 HA ALA 72 -6.177 -9.511 -4.141 569 HB1 ALA 72 1HB ALA 72 -6.652 -10.466 -1.887 570 HB2 ALA 72 2HB ALA 72 -7.452 -8.929 -1.405 571 HB3 ALA 72 3HB ALA 72 -8.147 -9.917 -2.736 572 H TYR 73 H TYR 73 -5.925 -6.469 -2.410 573 HA TYR 73 HA TYR 73 -7.836 -4.872 -3.850 574 HB2 TYR 73 2HB TYR 73 -6.848 -4.182 -1.733 575 HB3 TYR 73 3HB TYR 73 -5.359 -3.793 -2.614 576 HD1 TYR 73 1HD TYR 73 -5.347 -2.051 -4.403 577 HD2 TYR 73 2HD TYR 73 -8.946 -3.002 -2.246 578 HE1 TYR 73 1HE TYR 73 -6.522 -0.249 -5.603 579 HE2 TYR 73 2HE TYR 73 -10.153 -1.223 -3.458 580 HH TYR 73 HH TYR 73 -10.069 0.045 -5.321 581 H LEU 74 H LEU 74 -4.382 -5.427 -4.224 582 HA LEU 74 HA LEU 74 -3.881 -3.869 -6.356 583 HB2 LEU 74 2HB LEU 74 -2.661 -6.024 -4.933 584 HB3 LEU 74 3HB LEU 74 -2.394 -6.375 -6.600 585 HG LEU 74 HG LEU 74 -1.184 -4.267 -6.929 586 HD11 LEU 74 1HD1 LEU 74 -0.786 -2.742 -4.949 587 HD12 LEU 74 2HD1 LEU 74 -2.037 -3.666 -4.067 588 HD13 LEU 74 3HD1 LEU 74 -2.455 -2.708 -5.490 589 HD21 LEU 74 1HD2 LEU 74 0.660 -4.541 -5.339 590 HD22 LEU 74 2HD2 LEU 74 0.078 -6.148 -5.857 591 HD23 LEU 74 3HD2 LEU 74 -0.375 -5.492 -4.260 592 H GLU 75 H GLU 75 -5.559 -6.899 -6.568 593 HA GLU 75 HA GLU 75 -5.866 -6.493 -9.509 594 HB2 GLU 75 2HB GLU 75 -6.728 -8.915 -9.428 595 HB3 GLU 75 3HB GLU 75 -5.000 -8.571 -9.321 596 HG2 GLU 75 2HG GLU 75 -4.947 -8.986 -6.931 597 HG3 GLU 75 3HG GLU 75 -6.702 -9.191 -6.864 598 H THR 76 H THR 76 -7.612 -5.852 -6.692 599 HA THR 76 HA THR 76 -10.209 -6.015 -8.124 600 HB THR 76 HB THR 76 -9.892 -7.082 -5.293 601 HG1 THR 76 1HG THR 76 -9.183 -8.627 -6.625 602 HG21 THR 76 1HG2 THR 76 -12.284 -7.712 -5.810 603 HG22 THR 76 2HG2 THR 76 -12.161 -6.655 -7.253 604 HG23 THR 76 3HG2 THR 76 -11.961 -5.970 -5.625 605 H LYS 77 H LYS 77 -10.793 -4.251 -8.181 606 HA LYS 77 HA LYS 77 -9.992 -1.852 -6.969 607 HB2 LYS 77 2HB LYS 77 -12.242 -2.503 -8.917 608 HB3 LYS 77 3HB LYS 77 -11.673 -0.875 -8.591 609 HG2 LYS 77 2HG LYS 77 -10.855 -1.704 -10.732 610 HG3 LYS 77 3HG LYS 77 -9.512 -1.366 -9.642 611 HD2 LYS 77 2HD LYS 77 -8.963 -3.640 -9.374 612 HD3 LYS 77 3HD LYS 77 -10.597 -4.174 -9.880 613 HE2 LYS 77 2HE LYS 77 -10.248 -3.709 -12.101 614 HE3 LYS 77 3HE LYS 77 -8.636 -2.958 -11.836 615 HZ1 LYS 77 1HZ LYS 77 -8.990 -5.531 -12.471 616 HZ2 LYS 77 2HZ LYS 77 -9.051 -5.706 -10.845 617 HZ3 LYS 77 3HZ LYS 77 -7.706 -5.097 -11.535 Start of MODEL 8 1 H2 SER 1 2H SER 1 4.596 -9.697 16.794 2 H3 SER 1 3H SER 1 4.062 -8.152 17.073 3 HA SER 1 HA SER 1 5.899 -8.676 14.877 4 HB2 SER 1 2HB SER 1 2.894 -9.119 14.779 5 HB3 SER 1 3HB SER 1 3.977 -9.078 13.365 6 HG SER 1 HG SER 1 3.633 -11.225 14.327 7 H HIS 2 H HIS 2 5.551 -7.079 13.168 8 HA HIS 2 HA HIS 2 3.783 -4.902 13.022 9 HB2 HIS 2 2HB HIS 2 5.527 -3.060 13.571 10 HB3 HIS 2 3HB HIS 2 4.559 -3.726 14.844 11 HD1 HIS 2 1HD HIS 2 5.783 -5.230 16.687 12 HD2 HIS 2 2HD HIS 2 8.231 -3.265 13.912 13 HE1 HIS 2 1HE HIS 2 8.179 -5.345 17.613 14 H MET 3 H MET 3 7.228 -4.431 12.544 15 HA MET 3 HA MET 3 7.249 -4.509 9.686 16 HB2 MET 3 2HB MET 3 9.482 -4.743 11.752 17 HB3 MET 3 3HB MET 3 9.724 -4.430 10.034 18 HG2 MET 3 2HG MET 3 8.611 -2.274 10.177 19 HG3 MET 3 3HG MET 3 8.052 -2.592 11.795 20 HE1 MET 3 1HE MET 3 12.329 -1.365 10.583 21 HE2 MET 3 2HE MET 3 11.680 -2.921 10.014 22 HE3 MET 3 3HE MET 3 10.892 -1.379 9.532 23 H THR 4 H THR 4 6.025 -6.932 10.621 24 HA THR 4 HA THR 4 7.881 -9.054 9.700 25 HB THR 4 HB THR 4 5.371 -9.539 11.264 26 HG1 THR 4 1HG THR 4 7.907 -8.966 12.362 27 HG21 THR 4 1HG2 THR 4 6.516 -11.448 10.264 28 HG22 THR 4 2HG2 THR 4 6.632 -11.502 12.034 29 HG23 THR 4 3HG2 THR 4 8.037 -10.979 11.069 30 H ALA 5 H ALA 5 4.305 -8.646 9.826 31 HA ALA 5 HA ALA 5 4.053 -10.205 7.400 32 HB1 ALA 5 1HB ALA 5 2.030 -8.517 8.935 33 HB2 ALA 5 2HB ALA 5 1.666 -9.797 7.740 34 HB3 ALA 5 3HB ALA 5 2.434 -10.232 9.289 35 H VAL 6 H VAL 6 3.764 -6.747 8.150 36 HA VAL 6 HA VAL 6 3.067 -5.682 5.717 37 HB VAL 6 HB VAL 6 3.402 -4.570 7.922 38 HG11 VAL 6 1HG1 VAL 6 5.469 -3.493 8.481 39 HG12 VAL 6 2HG1 VAL 6 5.798 -5.225 8.254 40 HG13 VAL 6 3HG1 VAL 6 6.257 -4.050 6.994 41 HG21 VAL 6 1HG2 VAL 6 2.738 -3.292 5.959 42 HG22 VAL 6 2HG2 VAL 6 3.985 -2.353 6.805 43 HG23 VAL 6 3HG2 VAL 6 4.410 -3.242 5.348 44 H GLN 7 H GLN 7 6.208 -6.920 6.729 45 HA GLN 7 HA GLN 7 7.587 -5.604 4.567 46 HB2 GLN 7 2HB GLN 7 8.374 -6.023 7.008 47 HB3 GLN 7 3HB GLN 7 8.650 -7.689 6.547 48 HG2 GLN 7 2HG GLN 7 10.709 -6.215 6.510 49 HG3 GLN 7 3HG GLN 7 10.373 -7.064 4.980 50 HE21 GLN 7 1HE2 GLN 7 8.814 -4.012 6.236 51 HE22 GLN 7 2HE2 GLN 7 8.779 -3.570 4.541 52 H ASP 8 H ASP 8 7.159 -8.981 5.371 53 HA ASP 8 HA ASP 8 7.942 -10.213 2.935 54 HB2 ASP 8 2HB ASP 8 7.407 -11.580 4.882 55 HB3 ASP 8 3HB ASP 8 5.719 -11.025 4.855 56 H PHE 9 H PHE 9 4.641 -8.977 3.816 57 HA PHE 9 HA PHE 9 3.440 -9.375 1.276 58 HB2 PHE 9 2HB PHE 9 2.082 -8.604 3.284 59 HB3 PHE 9 3HB PHE 9 3.094 -7.177 3.336 60 HD1 PHE 9 1HD PHE 9 0.679 -8.899 1.010 61 HD2 PHE 9 2HD PHE 9 2.704 -5.266 2.092 62 HE1 PHE 9 1HE PHE 9 -0.478 -7.651 -0.846 63 HE2 PHE 9 2HE PHE 9 1.648 -4.108 0.198 64 HZ PHE 9 HZ PHE 9 -0.019 -5.283 -1.233 65 H VAL 10 H VAL 10 5.139 -6.476 2.535 66 HA VAL 10 HA VAL 10 4.948 -4.885 0.217 67 HB VAL 10 HB VAL 10 7.001 -4.892 2.420 68 HG11 VAL 10 1HG1 VAL 10 7.868 -2.705 1.549 69 HG12 VAL 10 2HG1 VAL 10 8.318 -4.089 0.560 70 HG13 VAL 10 3HG1 VAL 10 7.013 -3.010 0.014 71 HG21 VAL 10 1HG2 VAL 10 4.469 -3.865 2.369 72 HG22 VAL 10 2HG2 VAL 10 5.802 -3.133 3.292 73 HG23 VAL 10 3HG2 VAL 10 5.342 -2.483 1.728 74 H VAL 11 H VAL 11 7.756 -7.127 0.962 75 HA VAL 11 HA VAL 11 8.909 -6.558 -1.603 76 HB VAL 11 HB VAL 11 10.032 -9.022 -1.000 77 HG11 VAL 11 1HG1 VAL 11 11.964 -7.566 -0.350 78 HG12 VAL 11 2HG1 VAL 11 11.135 -6.942 -1.781 79 HG13 VAL 11 3HG1 VAL 11 10.875 -6.166 -0.213 80 HG21 VAL 11 1HG2 VAL 11 9.768 -7.346 1.500 81 HG22 VAL 11 2HG2 VAL 11 8.960 -8.931 1.254 82 HG23 VAL 11 3HG2 VAL 11 10.729 -8.831 1.326 83 H ASP 12 H ASP 12 6.262 -8.575 -1.056 84 HA ASP 12 HA ASP 12 6.539 -10.053 -3.545 85 HB2 ASP 12 2HB ASP 12 4.820 -10.263 -1.506 86 HB3 ASP 12 3HB ASP 12 3.833 -9.247 -2.545 87 H ILE 13 H ILE 13 5.338 -6.835 -2.745 88 HA ILE 13 HA ILE 13 4.691 -5.814 -5.570 89 HB ILE 13 HB ILE 13 4.568 -4.547 -2.867 90 HG12 ILE 13 2HG1 ILE 13 2.101 -4.462 -3.436 91 HG13 ILE 13 3HG1 ILE 13 2.401 -5.587 -4.761 92 HG21 ILE 13 1HG2 ILE 13 5.054 -2.990 -4.790 93 HG22 ILE 13 2HG2 ILE 13 3.713 -3.713 -5.675 94 HG23 ILE 13 3HG2 ILE 13 3.428 -2.816 -4.152 95 HD11 ILE 13 1HD1 ILE 13 2.908 -7.341 -3.164 96 HD12 ILE 13 2HD1 ILE 13 2.896 -6.171 -1.808 97 HD13 ILE 13 3HD1 ILE 13 1.413 -6.594 -2.726 98 H LEU 14 H LEU 14 7.356 -5.728 -3.142 99 HA LEU 14 HA LEU 14 8.496 -3.464 -4.509 100 HB2 LEU 14 2HB LEU 14 8.728 -4.553 -1.877 101 HB3 LEU 14 3HB LEU 14 10.246 -4.904 -2.604 102 HG LEU 14 HG LEU 14 9.024 -2.180 -2.166 103 HD11 LEU 14 1HD1 LEU 14 10.247 -3.271 -0.279 104 HD12 LEU 14 2HD1 LEU 14 11.077 -1.816 -0.855 105 HD13 LEU 14 3HD1 LEU 14 11.681 -3.426 -1.312 106 HD21 LEU 14 1HD2 LEU 14 9.996 -2.001 -4.355 107 HD22 LEU 14 2HD2 LEU 14 11.463 -2.871 -3.850 108 HD23 LEU 14 3HD2 LEU 14 11.114 -1.250 -3.206 109 H LEU 15 H LEU 15 9.665 -6.809 -4.055 110 HA LEU 15 HA LEU 15 11.780 -6.350 -6.106 111 HB2 LEU 15 2HB LEU 15 11.486 -8.451 -3.943 112 HB3 LEU 15 3HB LEU 15 12.686 -8.554 -5.196 113 HG LEU 15 HG LEU 15 12.569 -6.260 -3.199 114 HD11 LEU 15 1HD1 LEU 15 14.529 -8.606 -3.401 115 HD12 LEU 15 2HD1 LEU 15 13.220 -8.490 -2.202 116 HD13 LEU 15 3HD1 LEU 15 14.541 -7.300 -2.186 117 HD21 LEU 15 1HD2 LEU 15 14.851 -5.760 -4.069 118 HD22 LEU 15 2HD2 LEU 15 13.579 -5.500 -5.261 119 HD23 LEU 15 3HD2 LEU 15 14.597 -6.962 -5.360 120 H ASN 16 H ASN 16 9.217 -8.734 -5.202 121 HA ASN 16 HA ASN 16 9.612 -10.116 -7.747 122 HB2 ASN 16 2HB ASN 16 7.328 -10.330 -5.749 123 HB3 ASN 16 3HB ASN 16 7.545 -11.354 -7.162 124 HD21 ASN 16 1HD2 ASN 16 8.654 -10.640 -3.905 125 HD22 ASN 16 2HD2 ASN 16 9.680 -12.074 -3.782 126 H GLY 17 H GLY 17 7.803 -7.383 -6.643 127 HA2 GLY 17 2HA GLY 17 7.039 -5.618 -7.914 128 HA3 GLY 17 3HA GLY 17 6.851 -6.602 -9.331 129 H ALA 18 H ALA 18 5.006 -4.801 -8.534 130 HA ALA 18 HA ALA 18 2.736 -5.969 -7.241 131 HB1 ALA 18 1HB ALA 18 1.579 -4.088 -8.166 132 HB2 ALA 18 2HB ALA 18 3.201 -3.462 -7.753 133 HB3 ALA 18 3HB ALA 18 2.718 -3.940 -9.413 134 H ARG 19 H ARG 19 0.540 -6.095 -8.502 135 HA ARG 19 HA ARG 19 0.548 -7.533 -10.851 136 HB2 ARG 19 2HB ARG 19 -1.537 -5.915 -9.439 137 HB3 ARG 19 3HB ARG 19 -1.929 -7.077 -11.185 138 HG2 ARG 19 2HG ARG 19 -1.733 -7.843 -8.170 139 HG3 ARG 19 3HG ARG 19 -2.674 -8.304 -9.449 140 HD2 ARG 19 2HD ARG 19 0.024 -9.299 -9.061 141 HD3 ARG 19 3HD ARG 19 -1.450 -10.237 -8.635 142 HE ARG 19 HE ARG 19 -1.808 -9.831 -11.236 143 HH11 ARG 19 1HH1 ARG 19 1.792 -11.578 -11.214 144 HH12 ARG 19 2HH1 ARG 19 1.255 -10.881 -9.731 145 HH21 ARG 19 1HH2 ARG 19 0.620 -11.476 -13.051 146 HH22 ARG 19 2HH2 ARG 19 -0.949 -10.801 -13.135 147 H ASP 20 H ASP 20 -1.320 -6.027 -12.093 148 HA ASP 20 HA ASP 20 0.435 -4.762 -14.006 149 HB2 ASP 20 2HB ASP 20 -2.117 -5.666 -13.932 150 HB3 ASP 20 3HB ASP 20 -2.472 -3.894 -13.782 151 H TRP 21 H TRP 21 -0.002 -3.439 -10.975 152 HA TRP 21 HA TRP 21 0.097 -0.691 -11.480 153 HB2 TRP 21 2HB TRP 21 1.535 -2.053 -9.151 154 HB3 TRP 21 3HB TRP 21 0.932 -0.422 -9.292 155 HD1 TRP 21 1HD TRP 21 -1.343 -3.592 -9.813 156 HE1 TRP 21 1HE TRP 21 -3.423 -3.175 -8.471 157 HE3 TRP 21 3HE TRP 21 0.136 0.586 -7.357 158 HZ2 TRP 21 2HZ TRP 21 -4.376 -1.172 -6.616 159 HZ3 TRP 21 3HZ TRP 21 -1.458 1.900 -5.962 160 HH2 TRP 21 2HH TRP 21 -3.728 0.999 -5.617 161 H ASP 22 H ASP 22 1.883 0.571 -10.745 162 HA ASP 22 HA ASP 22 4.586 0.003 -11.909 163 HB2 ASP 22 2HB ASP 22 3.261 2.484 -10.768 164 HB3 ASP 22 3HB ASP 22 4.983 2.283 -10.594 165 H VAL 23 H VAL 23 6.280 0.467 -10.269 166 HA VAL 23 HA VAL 23 5.673 -0.467 -7.588 167 HB VAL 23 HB VAL 23 8.093 -1.396 -9.200 168 HG11 VAL 23 1HG1 VAL 23 8.752 -2.583 -7.108 169 HG12 VAL 23 2HG1 VAL 23 8.790 -0.827 -6.942 170 HG13 VAL 23 3HG1 VAL 23 7.437 -1.753 -6.241 171 HG21 VAL 23 1HG2 VAL 23 6.110 -2.771 -9.683 172 HG22 VAL 23 2HG2 VAL 23 7.291 -3.671 -8.738 173 HG23 VAL 23 3HG2 VAL 23 5.832 -3.010 -7.946 174 H LEU 24 H LEU 24 5.804 1.389 -6.699 175 HA LEU 24 HA LEU 24 7.972 3.302 -7.574 176 HB2 LEU 24 2HB LEU 24 5.153 3.795 -7.584 177 HB3 LEU 24 3HB LEU 24 5.650 4.390 -6.181 178 HG LEU 24 HG LEU 24 5.541 6.120 -7.857 179 HD11 LEU 24 1HD1 LEU 24 8.502 5.523 -7.576 180 HD12 LEU 24 2HD1 LEU 24 7.474 6.235 -6.310 181 HD13 LEU 24 3HD1 LEU 24 7.724 7.107 -7.837 182 HD21 LEU 24 1HD2 LEU 24 7.412 4.424 -9.574 183 HD22 LEU 24 2HD2 LEU 24 6.782 6.036 -9.984 184 HD23 LEU 24 3HD2 LEU 24 5.671 4.660 -9.837 185 H GLN 25 H GLN 25 9.177 4.249 -6.014 186 HA GLN 25 HA GLN 25 8.134 3.994 -3.255 187 HB2 GLN 25 2HB GLN 25 11.039 3.750 -4.089 188 HB3 GLN 25 3HB GLN 25 10.506 4.161 -2.457 189 HG2 GLN 25 2HG GLN 25 10.485 2.010 -2.169 190 HG3 GLN 25 3HG GLN 25 8.855 2.094 -2.713 191 HE21 GLN 25 1HE2 GLN 25 8.293 0.667 -4.473 192 HE22 GLN 25 2HE2 GLN 25 9.567 -0.159 -5.364 193 H THR 26 H THR 26 7.028 5.563 -3.528 194 HA THR 26 HA THR 26 8.314 8.171 -2.956 195 HB THR 26 HB THR 26 7.460 8.329 -5.239 196 HG1 THR 26 1HG THR 26 6.277 10.271 -4.743 197 HG21 THR 26 1HG2 THR 26 5.048 8.507 -5.663 198 HG22 THR 26 2HG2 THR 26 4.700 7.959 -4.014 199 HG23 THR 26 3HG2 THR 26 5.458 6.845 -5.217 200 H THR 27 H THR 27 6.010 9.539 -1.998 201 HA THR 27 HA THR 27 4.951 7.868 0.167 202 HB THR 27 HB THR 27 5.444 9.547 1.878 203 HG1 THR 27 1HG THR 27 7.129 11.032 1.454 204 HG21 THR 27 1HG2 THR 27 6.908 7.525 1.746 205 HG22 THR 27 2HG2 THR 27 7.794 8.944 2.308 206 HG23 THR 27 3HG2 THR 27 7.984 8.386 0.635 207 H CYS 28 H CYS 28 3.220 8.936 1.103 208 HA CYS 28 HA CYS 28 1.990 11.184 -0.381 209 HB2 CYS 28 2HB CYS 28 1.021 9.237 -1.212 210 HB3 CYS 28 3HB CYS 28 0.997 8.409 0.278 211 HG CYS 28 HG CYS 28 -0.888 10.722 -1.136 212 H THR 29 H THR 29 0.346 12.298 0.848 213 HA THR 29 HA THR 29 0.501 11.834 3.738 214 HB THR 29 HB THR 29 0.361 14.671 2.577 215 HG1 THR 29 1HG THR 29 2.283 14.541 1.982 216 HG21 THR 29 1HG2 THR 29 1.386 15.334 4.746 217 HG22 THR 29 2HG2 THR 29 1.277 13.655 5.284 218 HG23 THR 29 3HG2 THR 29 -0.200 14.570 4.947 219 H VAL 30 H VAL 30 -1.231 11.561 4.694 220 HA VAL 30 HA VAL 30 -3.735 13.012 4.165 221 HB VAL 30 HB VAL 30 -3.759 10.010 3.588 222 HG11 VAL 30 1HG1 VAL 30 -5.966 12.116 3.536 223 HG12 VAL 30 2HG1 VAL 30 -6.112 10.511 2.801 224 HG13 VAL 30 3HG1 VAL 30 -5.880 10.644 4.551 225 HG21 VAL 30 1HG2 VAL 30 -4.167 12.338 1.649 226 HG22 VAL 30 2HG2 VAL 30 -2.858 11.127 1.608 227 HG23 VAL 30 3HG2 VAL 30 -4.513 10.643 1.291 228 H ASP 31 H ASP 31 -5.375 12.707 5.814 229 HA ASP 31 HA ASP 31 -6.272 12.417 7.823 230 HB2 ASP 31 2HB ASP 31 -5.255 9.908 7.318 231 HB3 ASP 31 3HB ASP 31 -4.442 10.262 8.805 232 H ARG 32 H ARG 32 -3.686 13.774 7.347 233 HA ARG 32 HA ARG 32 -2.149 15.139 8.394 234 HB2 ARG 32 2HB ARG 32 -3.358 14.462 11.113 235 HB3 ARG 32 3HB ARG 32 -2.247 15.761 10.731 236 HG2 ARG 32 2HG ARG 32 -3.925 16.920 9.397 237 HG3 ARG 32 3HG ARG 32 -5.074 15.603 9.587 238 HD2 ARG 32 2HD ARG 32 -3.980 17.297 11.874 239 HD3 ARG 32 3HD ARG 32 -5.555 17.528 11.073 240 HE ARG 32 HE ARG 32 -5.121 14.827 12.103 241 HH11 ARG 32 1HH1 ARG 32 -7.398 17.326 14.272 242 HH12 ARG 32 2HH1 ARG 32 -6.393 18.023 13.027 243 HH21 ARG 32 1HH2 ARG 32 -7.155 15.131 14.854 244 HH22 ARG 32 2HH2 ARG 32 -6.332 14.056 13.834 245 H LYS 33 H LYS 33 -1.792 12.388 7.665 246 HA LYS 33 HA LYS 33 0.553 11.688 9.286 247 HB2 LYS 33 2HB LYS 33 -1.349 10.248 10.076 248 HB3 LYS 33 3HB LYS 33 -1.666 9.781 8.437 249 HG2 LYS 33 2HG LYS 33 -0.035 8.299 8.353 250 HG3 LYS 33 3HG LYS 33 1.143 9.300 9.252 251 HD2 LYS 33 2HD LYS 33 0.879 8.065 11.081 252 HD3 LYS 33 3HD LYS 33 -0.843 8.469 11.169 253 HE2 LYS 33 2HE LYS 33 -1.257 6.733 9.445 254 HE3 LYS 33 3HE LYS 33 0.445 6.187 9.593 255 HZ1 LYS 33 1HZ LYS 33 -1.677 5.973 11.613 256 HZ2 LYS 33 2HZ LYS 33 -0.078 5.897 12.029 257 HZ3 LYS 33 3HZ LYS 33 -0.717 4.816 10.935 258 H VAL 34 H VAL 34 1.982 10.395 7.940 259 HA VAL 34 HA VAL 34 1.667 10.760 5.016 260 HB VAL 34 HB VAL 34 4.006 10.604 6.801 261 HG11 VAL 34 1HG1 VAL 34 4.666 9.167 4.894 262 HG12 VAL 34 2HG1 VAL 34 4.203 10.454 3.752 263 HG13 VAL 34 3HG1 VAL 34 5.587 10.663 4.839 264 HG21 VAL 34 1HG2 VAL 34 4.800 12.707 5.848 265 HG22 VAL 34 2HG2 VAL 34 3.411 12.731 4.745 266 HG23 VAL 34 3HG2 VAL 34 3.172 12.869 6.507 267 H TYR 35 H TYR 35 1.982 8.946 3.845 268 HA TYR 35 HA TYR 35 2.645 6.383 5.203 269 HB2 TYR 35 2HB TYR 35 0.652 6.678 2.933 270 HB3 TYR 35 3HB TYR 35 1.083 5.206 3.859 271 HD1 TYR 35 1HD TYR 35 0.393 4.858 6.131 272 HD2 TYR 35 2HD TYR 35 -0.774 8.362 3.864 273 HE1 TYR 35 1HE TYR 35 -1.461 5.305 7.757 274 HE2 TYR 35 2HE TYR 35 -2.533 8.886 5.573 275 HH TYR 35 HH TYR 35 -3.538 8.209 7.545 276 H LYS 36 H LYS 36 3.810 4.978 3.859 277 HA LYS 36 HA LYS 36 5.221 6.385 1.661 278 HB2 LYS 36 2HB LYS 36 6.094 3.931 3.104 279 HB3 LYS 36 3HB LYS 36 7.049 4.990 2.155 280 HG2 LYS 36 2HG LYS 36 7.183 6.630 3.908 281 HG3 LYS 36 3HG LYS 36 5.886 5.862 4.829 282 HD2 LYS 36 2HD LYS 36 8.115 5.461 5.789 283 HD3 LYS 36 3HD LYS 36 7.231 3.977 5.407 284 HE2 LYS 36 2HE LYS 36 8.599 3.528 3.471 285 HE3 LYS 36 3HE LYS 36 9.279 5.147 3.502 286 HZ1 LYS 36 1HZ LYS 36 10.269 4.554 5.713 287 HZ2 LYS 36 2HZ LYS 36 10.889 3.671 4.462 288 HZ3 LYS 36 3HZ LYS 36 9.795 3.026 5.506 289 H THR 37 H THR 37 5.317 5.499 -0.364 290 HA THR 37 HA THR 37 3.046 3.764 -0.899 291 HB THR 37 HB THR 37 3.116 4.468 -3.177 292 HG1 THR 37 1HG THR 37 5.534 5.708 -2.429 293 HG21 THR 37 1HG2 THR 37 2.123 6.192 -1.743 294 HG22 THR 37 2HG2 THR 37 3.028 6.965 -3.014 295 HG23 THR 37 3HG2 THR 37 3.700 6.893 -1.393 296 H ILE 38 H ILE 38 3.256 1.918 -2.262 297 HA ILE 38 HA ILE 38 6.056 0.881 -2.650 298 HB ILE 38 HB ILE 38 3.601 -0.897 -3.040 299 HG12 ILE 38 2HG1 ILE 38 4.632 -0.021 -0.252 300 HG13 ILE 38 3HG1 ILE 38 2.999 0.114 -0.878 301 HG21 ILE 38 1HG2 ILE 38 6.387 -1.261 -1.643 302 HG22 ILE 38 2HG2 ILE 38 5.341 -2.577 -2.177 303 HG23 ILE 38 3HG2 ILE 38 6.151 -1.558 -3.357 304 HD11 ILE 38 1HD1 ILE 38 4.369 -2.504 -0.189 305 HD12 ILE 38 2HD1 ILE 38 2.995 -1.742 0.627 306 HD13 ILE 38 3HD1 ILE 38 2.826 -2.382 -1.027 307 H CYS 39 H CYS 39 2.996 1.471 -4.126 308 HA CYS 39 HA CYS 39 3.997 1.000 -6.836 309 HB2 CYS 39 2HB CYS 39 2.282 -0.960 -7.120 310 HB3 CYS 39 3HB CYS 39 3.556 -1.098 -6.574 311 HG CYS 39 HG CYS 39 1.562 -2.468 -5.364 312 H LYS 40 H LYS 40 2.777 1.858 -8.345 313 HA LYS 40 HA LYS 40 0.403 3.191 -7.433 314 HB2 LYS 40 2HB LYS 40 2.523 4.647 -7.825 315 HB3 LYS 40 3HB LYS 40 2.523 4.014 -9.471 316 HG2 LYS 40 2HG LYS 40 0.068 5.112 -9.466 317 HG3 LYS 40 3HG LYS 40 0.813 6.011 -8.201 318 HD2 LYS 40 2HD LYS 40 1.264 7.294 -10.209 319 HD3 LYS 40 3HD LYS 40 2.779 6.410 -9.932 320 HE2 LYS 40 2HE LYS 40 1.556 4.536 -11.422 321 HE3 LYS 40 3HE LYS 40 0.539 5.893 -11.916 322 HZ1 LYS 40 1HZ LYS 40 2.228 6.059 -13.470 323 HZ2 LYS 40 2HZ LYS 40 3.311 5.288 -12.548 324 HZ3 LYS 40 3HZ LYS 40 3.006 6.901 -12.296 325 H ARG 41 H ARG 41 -1.437 3.152 -8.621 326 HA ARG 41 HA ARG 41 -1.168 2.315 -11.432 327 HB2 ARG 41 2HB ARG 41 -1.612 0.239 -10.116 328 HB3 ARG 41 3HB ARG 41 -3.173 0.927 -9.667 329 HG2 ARG 41 2HG ARG 41 -3.496 1.206 -12.255 330 HG3 ARG 41 3HG ARG 41 -2.084 0.184 -12.422 331 HD2 ARG 41 2HD ARG 41 -3.205 -1.424 -10.825 332 HD3 ARG 41 3HD ARG 41 -4.658 -0.430 -10.878 333 HE ARG 41 HE ARG 41 -3.667 -1.529 -13.464 334 HH11 ARG 41 1HH1 ARG 41 -7.139 -2.812 -11.913 335 HH12 ARG 41 2HH1 ARG 41 -6.138 -1.825 -10.861 336 HH21 ARG 41 1HH2 ARG 41 -6.595 -3.315 -13.905 337 HH22 ARG 41 2HH2 ARG 41 -5.078 -2.782 -14.629 338 H GLY 42 H GLY 42 -2.014 3.793 -12.420 339 HA2 GLY 42 2HA GLY 42 -3.455 5.545 -13.038 340 HA3 GLY 42 3HA GLY 42 -4.706 4.868 -11.992 341 H ASN 43 H ASN 43 -5.329 6.396 -10.744 342 HA ASN 43 HA ASN 43 -3.484 8.407 -9.590 343 HB2 ASN 43 2HB ASN 43 -5.314 9.656 -8.968 344 HB3 ASN 43 3HB ASN 43 -5.738 8.998 -10.547 345 HD21 ASN 43 1HD2 ASN 43 -6.441 6.315 -8.762 346 HD22 ASN 43 2HD2 ASN 43 -8.061 6.762 -8.319 347 H THR 44 H THR 44 -3.984 5.301 -8.812 348 HA THR 44 HA THR 44 -4.072 5.856 -5.859 349 HB THR 44 HB THR 44 -5.776 4.411 -6.359 350 HG1 THR 44 1HG THR 44 -3.677 2.871 -5.319 351 HG21 THR 44 1HG2 THR 44 -3.912 2.479 -7.677 352 HG22 THR 44 2HG2 THR 44 -5.429 3.203 -8.293 353 HG23 THR 44 3HG2 THR 44 -5.483 2.026 -7.020 354 H TYR 45 H TYR 45 -2.702 4.718 -4.509 355 HA TYR 45 HA TYR 45 0.022 4.156 -5.237 356 HB2 TYR 45 2HB TYR 45 -0.877 6.588 -3.614 357 HB3 TYR 45 3HB TYR 45 0.707 5.853 -3.493 358 HD1 TYR 45 1HD TYR 45 2.451 6.398 -5.030 359 HD2 TYR 45 2HD TYR 45 -1.622 7.437 -5.898 360 HE1 TYR 45 1HE TYR 45 3.247 7.820 -6.903 361 HE2 TYR 45 2HE TYR 45 -0.860 8.889 -7.782 362 HH TYR 45 HH TYR 45 0.949 9.762 -8.895 363 H LEU 46 H LEU 46 0.088 2.335 -4.107 364 HA LEU 46 HA LEU 46 -1.674 1.790 -1.787 365 HB2 LEU 46 2HB LEU 46 -0.772 0.129 -3.746 366 HB3 LEU 46 3HB LEU 46 0.621 0.319 -2.866 367 HG LEU 46 HG LEU 46 -0.972 -0.271 -0.723 368 HD11 LEU 46 1HD1 LEU 46 -2.844 -1.858 -1.514 369 HD12 LEU 46 2HD1 LEU 46 -2.591 -1.211 -3.124 370 HD13 LEU 46 3HD1 LEU 46 -3.109 -0.143 -1.827 371 HD21 LEU 46 1HD2 LEU 46 0.059 -2.259 -2.735 372 HD22 LEU 46 2HD2 LEU 46 -0.515 -2.663 -1.109 373 HD23 LEU 46 3HD2 LEU 46 0.846 -1.571 -1.308 374 H CYS 47 H CYS 47 -0.932 2.174 0.323 375 HA CYS 47 HA CYS 47 1.994 2.496 0.715 376 HB2 CYS 47 2HB CYS 47 -0.054 4.240 2.125 377 HB3 CYS 47 3HB CYS 47 1.694 4.500 1.947 378 HG CYS 47 HG CYS 47 -0.650 4.621 -0.386 379 H PHE 48 H PHE 48 2.498 2.568 3.171 380 HA PHE 48 HA PHE 48 0.765 0.676 4.661 381 HB2 PHE 48 2HB PHE 48 2.542 -0.843 5.026 382 HB3 PHE 48 3HB PHE 48 2.449 -0.566 3.304 383 HD1 PHE 48 1HD PHE 48 4.184 0.619 2.072 384 HD2 PHE 48 2HD PHE 48 4.424 0.032 6.316 385 HE1 PHE 48 1HE PHE 48 6.609 1.096 1.975 386 HE2 PHE 48 2HE PHE 48 6.832 0.551 6.270 387 HZ PHE 48 HZ PHE 48 7.983 0.995 4.084 388 H ASP 49 H ASP 49 1.144 0.496 6.951 389 HA ASP 49 HA ASP 49 3.169 2.391 8.117 390 HB2 ASP 49 2HB ASP 49 0.620 1.400 9.376 391 HB3 ASP 49 3HB ASP 49 1.809 2.365 10.228 392 H ASP 50 H ASP 50 3.006 1.327 10.628 393 HA ASP 50 HA ASP 50 4.211 -1.261 10.569 394 HB2 ASP 50 2HB ASP 50 3.131 0.570 12.735 395 HB3 ASP 50 3HB ASP 50 3.334 -1.080 13.155 396 H THR 51 H THR 51 1.002 -0.233 10.539 397 HA THR 51 HA THR 51 0.072 -2.303 12.353 398 HB THR 51 HB THR 51 -1.830 -0.272 11.318 399 HG1 THR 51 1HG THR 51 0.132 0.766 12.965 400 HG21 THR 51 1HG2 THR 51 -2.153 0.106 13.710 401 HG22 THR 51 2HG2 THR 51 -0.691 -0.865 14.066 402 HG23 THR 51 3HG2 THR 51 -2.142 -1.639 13.351 403 H ASN 52 H ASN 52 -0.009 -1.631 8.974 404 HA ASN 52 HA ASN 52 -1.461 -3.441 7.808 405 HB2 ASN 52 2HB ASN 52 -3.632 -2.376 7.472 406 HB3 ASN 52 3HB ASN 52 -3.501 -3.198 9.031 407 HD21 ASN 52 1HD2 ASN 52 -3.495 -0.098 7.335 408 HD22 ASN 52 2HD2 ASN 52 -3.866 0.910 8.728 409 H LEU 53 H LEU 53 -2.632 -2.502 5.778 410 HA LEU 53 HA LEU 53 -0.899 -0.319 4.720 411 HB2 LEU 53 2HB LEU 53 -2.213 -2.749 3.514 412 HB3 LEU 53 3HB LEU 53 -2.003 -1.325 2.513 413 HG LEU 53 HG LEU 53 0.418 -1.212 3.225 414 HD11 LEU 53 1HD1 LEU 53 1.293 -3.555 3.927 415 HD12 LEU 53 2HD1 LEU 53 -0.398 -3.822 4.443 416 HD13 LEU 53 3HD1 LEU 53 0.585 -2.541 5.202 417 HD21 LEU 53 1HD2 LEU 53 -0.291 -3.834 1.975 418 HD22 LEU 53 2HD2 LEU 53 1.171 -2.816 1.773 419 HD23 LEU 53 3HD2 LEU 53 -0.378 -2.252 1.105 420 H TYR 54 H TYR 54 -1.885 1.023 3.036 421 HA TYR 54 HA TYR 54 -4.752 1.448 3.329 422 HB2 TYR 54 2HB TYR 54 -3.037 3.921 3.478 423 HB3 TYR 54 3HB TYR 54 -4.729 3.740 3.728 424 HD1 TYR 54 1HD TYR 54 -5.493 3.899 5.866 425 HD2 TYR 54 2HD TYR 54 -1.511 2.379 5.282 426 HE1 TYR 54 1HE TYR 54 -5.184 3.795 8.309 427 HE2 TYR 54 2HE TYR 54 -1.332 1.927 7.705 428 HH TYR 54 HH TYR 54 -2.101 2.765 9.735 429 H ALA 55 H ALA 55 -5.658 2.019 1.265 430 HA ALA 55 HA ALA 55 -3.668 2.749 -0.890 431 HB1 ALA 55 1HB ALA 55 -5.365 1.055 -1.560 432 HB2 ALA 55 2HB ALA 55 -6.663 2.152 -1.042 433 HB3 ALA 55 3HB ALA 55 -5.617 2.611 -2.394 434 H ILE 56 H ILE 56 -3.365 4.808 -1.375 435 HA ILE 56 HA ILE 56 -5.466 6.716 -0.459 436 HB ILE 56 HB ILE 56 -2.562 7.227 -0.902 437 HG12 ILE 56 2HG1 ILE 56 -3.142 8.567 1.338 438 HG13 ILE 56 3HG1 ILE 56 -4.552 7.544 1.392 439 HG21 ILE 56 1HG2 ILE 56 -3.759 9.008 -2.117 440 HG22 ILE 56 2HG2 ILE 56 -5.017 9.092 -0.861 441 HG23 ILE 56 3HG2 ILE 56 -3.420 9.714 -0.542 442 HD11 ILE 56 1HD1 ILE 56 -3.023 5.545 1.532 443 HD12 ILE 56 2HD1 ILE 56 -1.628 6.663 1.487 444 HD13 ILE 56 3HD1 ILE 56 -2.782 6.734 2.829 445 H THR 57 H THR 57 -6.891 6.867 -1.961 446 HA THR 57 HA THR 57 -6.114 6.666 -4.836 447 HB THR 57 HB THR 57 -8.868 6.413 -3.585 448 HG1 THR 57 1HG THR 57 -8.367 4.161 -3.995 449 HG21 THR 57 1HG2 THR 57 -7.784 5.561 -6.309 450 HG22 THR 57 2HG2 THR 57 -8.801 6.994 -6.047 451 HG23 THR 57 3HG2 THR 57 -9.454 5.378 -5.729 452 H GLY 58 H GLY 58 -5.392 8.621 -5.323 453 HA2 GLY 58 2HA GLY 58 -5.291 10.930 -5.662 454 HA3 GLY 58 3HA GLY 58 -7.015 11.050 -5.185 455 H ASP 59 H ASP 59 -7.490 10.779 -2.964 456 HA ASP 59 HA ASP 59 -5.628 11.736 -0.858 457 HB2 ASP 59 2HB ASP 59 -7.451 13.652 -0.694 458 HB3 ASP 59 3HB ASP 59 -6.115 13.797 -1.792 459 H VAL 60 H VAL 60 -7.685 9.503 -1.603 460 HA VAL 60 HA VAL 60 -9.511 9.552 0.750 461 HB VAL 60 HB VAL 60 -9.413 7.793 -1.750 462 HG11 VAL 60 1HG1 VAL 60 -11.574 6.807 -0.933 463 HG12 VAL 60 2HG1 VAL 60 -10.177 6.338 0.042 464 HG13 VAL 60 3HG1 VAL 60 -11.298 7.600 0.640 465 HG21 VAL 60 1HG2 VAL 60 -11.600 8.805 -2.287 466 HG22 VAL 60 2HG2 VAL 60 -11.479 9.848 -0.851 467 HG23 VAL 60 3HG2 VAL 60 -10.327 10.022 -2.198 468 H VAL 61 H VAL 61 -8.312 8.860 2.464 469 HA VAL 61 HA VAL 61 -6.446 6.653 2.160 470 HB VAL 61 HB VAL 61 -6.111 8.471 3.658 471 HG11 VAL 61 1HG1 VAL 61 -7.111 8.577 5.902 472 HG12 VAL 61 2HG1 VAL 61 -8.416 8.652 4.699 473 HG13 VAL 61 3HG1 VAL 61 -8.087 7.130 5.575 474 HG21 VAL 61 1HG2 VAL 61 -5.069 7.113 5.445 475 HG22 VAL 61 2HG2 VAL 61 -6.132 5.759 5.040 476 HG23 VAL 61 3HG2 VAL 61 -4.908 6.303 3.872 477 H LEU 62 H LEU 62 -6.968 4.688 1.911 478 HA LEU 62 HA LEU 62 -9.407 3.511 3.189 479 HB2 LEU 62 2HB LEU 62 -9.737 3.670 0.934 480 HB3 LEU 62 3HB LEU 62 -8.156 3.186 0.478 481 HG LEU 62 HG LEU 62 -8.588 0.874 0.801 482 HD11 LEU 62 1HD1 LEU 62 -9.555 0.670 3.037 483 HD12 LEU 62 2HD1 LEU 62 -10.693 -0.016 1.905 484 HD13 LEU 62 3HD1 LEU 62 -10.987 1.608 2.558 485 HD21 LEU 62 1HD2 LEU 62 -10.690 0.520 -0.402 486 HD22 LEU 62 2HD2 LEU 62 -9.860 1.965 -1.026 487 HD23 LEU 62 3HD2 LEU 62 -11.242 2.142 0.087 488 H LYS 63 H LYS 63 -8.359 3.158 4.954 489 HA LYS 63 HA LYS 63 -6.154 1.415 5.475 490 HB2 LYS 63 2HB LYS 63 -6.925 1.197 7.701 491 HB3 LYS 63 3HB LYS 63 -7.093 2.883 7.156 492 HG2 LYS 63 2HG LYS 63 -9.539 2.546 6.844 493 HG3 LYS 63 3HG LYS 63 -9.388 0.907 7.475 494 HD2 LYS 63 2HD LYS 63 -8.766 3.483 8.991 495 HD3 LYS 63 3HD LYS 63 -10.170 2.435 9.203 496 HE2 LYS 63 2HE LYS 63 -8.395 0.558 9.657 497 HE3 LYS 63 3HE LYS 63 -7.275 1.882 9.924 498 HZ1 LYS 63 1HZ LYS 63 -8.356 1.178 12.020 499 HZ2 LYS 63 2HZ LYS 63 -9.819 1.631 11.448 500 HZ3 LYS 63 3HZ LYS 63 -8.644 2.733 11.701 501 H PHE 64 H PHE 64 -5.774 -0.577 4.978 502 HA PHE 64 HA PHE 64 -7.861 -2.582 4.350 503 HB2 PHE 64 2HB PHE 64 -4.891 -2.822 4.571 504 HB3 PHE 64 3HB PHE 64 -5.928 -4.060 4.251 505 HD1 PHE 64 1HD PHE 64 -4.117 -1.406 2.816 506 HD2 PHE 64 2HD PHE 64 -7.673 -3.710 2.206 507 HE1 PHE 64 1HE PHE 64 -3.990 -0.879 0.404 508 HE2 PHE 64 2HE PHE 64 -7.675 -3.067 -0.157 509 HZ PHE 64 HZ PHE 64 -5.809 -1.693 -1.095 510 H ALA 65 H ALA 65 -8.696 -4.051 6.029 511 HA ALA 65 HA ALA 65 -7.700 -3.928 8.723 512 HB1 ALA 65 1HB ALA 65 -9.155 -5.729 9.219 513 HB2 ALA 65 2HB ALA 65 -10.017 -4.739 8.005 514 HB3 ALA 65 3HB ALA 65 -9.185 -6.269 7.552 515 H THR 66 H THR 66 -5.657 -5.055 6.377 516 HA THR 66 HA THR 66 -4.245 -6.773 8.163 517 HB THR 66 HB THR 66 -4.608 -8.069 5.546 518 HG1 THR 66 1HG THR 66 -6.572 -8.192 7.640 519 HG21 THR 66 1HG2 THR 66 -3.272 -9.172 7.250 520 HG22 THR 66 2HG2 THR 66 -4.713 -10.133 6.858 521 HG23 THR 66 3HG2 THR 66 -4.665 -9.189 8.370 522 H VAL 67 H VAL 67 -2.394 -7.490 6.840 523 HA VAL 67 HA VAL 67 -1.596 -5.457 4.888 524 HB VAL 67 HB VAL 67 -0.282 -8.124 5.244 525 HG11 VAL 67 1HG1 VAL 67 0.266 -6.029 3.798 526 HG12 VAL 67 2HG1 VAL 67 0.733 -5.296 5.384 527 HG13 VAL 67 3HG1 VAL 67 1.636 -6.708 4.794 528 HG21 VAL 67 1HG2 VAL 67 0.314 -6.066 7.331 529 HG22 VAL 67 2HG2 VAL 67 -0.334 -7.729 7.579 530 HG23 VAL 67 3HG2 VAL 67 1.267 -7.492 6.805 531 H SER 68 H SER 68 -2.288 -9.001 4.977 532 HA SER 68 HA SER 68 -1.955 -9.691 2.416 533 HB2 SER 68 2HB SER 68 -4.241 -10.750 4.107 534 HB3 SER 68 3HB SER 68 -3.163 -11.649 3.011 535 HG SER 68 HG SER 68 -1.827 -11.897 4.654 536 H LYS 69 H LYS 69 -4.572 -7.707 3.563 537 HA LYS 69 HA LYS 69 -6.495 -8.217 1.481 538 HB2 LYS 69 2HB LYS 69 -5.956 -5.595 2.916 539 HB3 LYS 69 3HB LYS 69 -7.495 -6.135 2.230 540 HG2 LYS 69 2HG LYS 69 -6.694 -8.012 4.256 541 HG3 LYS 69 3HG LYS 69 -6.339 -6.387 4.847 542 HD2 LYS 69 2HD LYS 69 -8.507 -6.639 5.584 543 HD3 LYS 69 3HD LYS 69 -8.670 -5.771 4.024 544 HE2 LYS 69 2HE LYS 69 -8.643 -8.260 3.064 545 HE3 LYS 69 3HE LYS 69 -8.752 -8.807 4.677 546 HZ1 LYS 69 1HZ LYS 69 -10.906 -7.199 3.347 547 HZ2 LYS 69 2HZ LYS 69 -11.025 -7.947 4.834 548 HZ3 LYS 69 3HZ LYS 69 -10.894 -8.803 3.445 549 H ALA 70 H ALA 70 -4.007 -5.708 1.830 550 HA ALA 70 HA ALA 70 -4.550 -4.306 -0.520 551 HB1 ALA 70 1HB ALA 70 -1.871 -4.999 0.735 552 HB2 ALA 70 2HB ALA 70 -2.195 -3.645 -0.360 553 HB3 ALA 70 3HB ALA 70 -2.954 -3.686 1.236 554 H ARG 71 H ARG 71 -2.958 -7.433 -0.357 555 HA ARG 71 HA ARG 71 -1.907 -7.674 -2.982 556 HB2 ARG 71 2HB ARG 71 -1.836 -9.238 -0.700 557 HB3 ARG 71 3HB ARG 71 -3.100 -10.060 -1.569 558 HG2 ARG 71 2HG ARG 71 -1.623 -11.031 -3.018 559 HG3 ARG 71 3HG ARG 71 -0.792 -9.507 -3.327 560 HD2 ARG 71 2HD ARG 71 0.829 -10.963 -2.468 561 HD3 ARG 71 3HD ARG 71 0.504 -9.811 -1.159 562 HE ARG 71 HE ARG 71 -1.165 -12.006 -0.663 563 HH11 ARG 71 1HH1 ARG 71 2.718 -12.677 0.186 564 HH12 ARG 71 2HH1 ARG 71 2.354 -11.775 -1.245 565 HH21 ARG 71 1HH2 ARG 71 1.300 -13.726 1.235 566 HH22 ARG 71 2HH2 ARG 71 -0.418 -13.660 0.931 567 H ALA 72 H ALA 72 -5.156 -8.230 -1.779 568 HA ALA 72 HA ALA 72 -6.141 -9.398 -4.322 569 HB1 ALA 72 1HB ALA 72 -8.138 -9.742 -2.957 570 HB2 ALA 72 2HB ALA 72 -6.694 -10.245 -2.035 571 HB3 ALA 72 3HB ALA 72 -7.500 -8.693 -1.672 572 H TYR 73 H TYR 73 -5.779 -6.339 -2.899 573 HA TYR 73 HA TYR 73 -7.762 -4.837 -4.540 574 HB2 TYR 73 2HB TYR 73 -7.544 -4.141 -2.317 575 HB3 TYR 73 3HB TYR 73 -5.773 -4.188 -2.440 576 HD1 TYR 73 1HD TYR 73 -8.807 -2.305 -3.625 577 HD2 TYR 73 2HD TYR 73 -4.540 -2.432 -3.278 578 HE1 TYR 73 1HE TYR 73 -8.659 0.048 -4.383 579 HE2 TYR 73 2HE TYR 73 -4.294 -0.236 -4.140 580 HH TYR 73 HH TYR 73 -5.660 1.884 -4.693 581 H LEU 74 H LEU 74 -4.322 -5.787 -4.548 582 HA LEU 74 HA LEU 74 -3.540 -4.021 -6.543 583 HB2 LEU 74 2HB LEU 74 -2.699 -6.680 -5.366 584 HB3 LEU 74 3HB LEU 74 -1.848 -6.056 -6.703 585 HG LEU 74 HG LEU 74 -1.372 -5.424 -4.019 586 HD11 LEU 74 1HD1 LEU 74 -0.856 -3.764 -6.433 587 HD12 LEU 74 2HD1 LEU 74 0.126 -5.221 -5.879 588 HD13 LEU 74 3HD1 LEU 74 0.045 -3.718 -4.891 589 HD21 LEU 74 1HD2 LEU 74 -2.327 -2.823 -5.342 590 HD22 LEU 74 2HD2 LEU 74 -1.671 -3.087 -3.703 591 HD23 LEU 74 3HD2 LEU 74 -3.287 -3.688 -4.141 592 H GLU 75 H GLU 75 -5.179 -6.969 -6.816 593 HA GLU 75 HA GLU 75 -5.210 -6.823 -9.789 594 HB2 GLU 75 2HB GLU 75 -6.588 -9.003 -9.475 595 HB3 GLU 75 3HB GLU 75 -4.855 -8.995 -9.264 596 HG2 GLU 75 2HG GLU 75 -5.029 -8.959 -6.857 597 HG3 GLU 75 3HG GLU 75 -6.741 -8.729 -6.955 598 H THR 76 H THR 76 -6.787 -5.215 -7.418 599 HA THR 76 HA THR 76 -9.367 -5.149 -8.775 600 HB THR 76 HB THR 76 -9.373 -5.578 -5.795 601 HG1 THR 76 1HG THR 76 -9.043 -7.531 -6.393 602 HG21 THR 76 1HG2 THR 76 -11.440 -5.346 -8.008 603 HG22 THR 76 2HG2 THR 76 -11.197 -4.212 -6.689 604 HG23 THR 76 3HG2 THR 76 -11.816 -5.847 -6.329 605 H LYS 77 H LYS 77 -9.756 -3.396 -9.127 606 HA LYS 77 HA LYS 77 -9.152 -0.835 -8.530 607 HB2 LYS 77 2HB LYS 77 -11.458 -0.528 -9.392 608 HB3 LYS 77 3HB LYS 77 -10.338 -1.344 -10.444 609 HG2 LYS 77 2HG LYS 77 -12.533 -2.236 -10.706 610 HG3 LYS 77 3HG LYS 77 -11.599 -3.483 -9.876 611 HD2 LYS 77 2HD LYS 77 -12.776 -3.198 -7.892 612 HD3 LYS 77 3HD LYS 77 -13.054 -1.499 -8.159 613 HE2 LYS 77 2HE LYS 77 -14.515 -3.673 -9.716 614 HE3 LYS 77 3HE LYS 77 -15.072 -3.040 -8.163 615 HZ1 LYS 77 1HZ LYS 77 -14.829 -1.489 -10.685 616 HZ2 LYS 77 2HZ LYS 77 -14.931 -0.754 -9.251 617 HZ3 LYS 77 3HZ LYS 77 -16.151 -1.740 -9.785 Start of MODEL 9 1 H2 SER 1 2H SER 1 5.664 -8.123 17.568 2 H3 SER 1 3H SER 1 4.599 -6.883 17.680 3 HA SER 1 HA SER 1 5.362 -8.370 15.262 4 HB2 SER 1 2HB SER 1 2.804 -8.673 15.241 5 HB3 SER 1 3HB SER 1 3.700 -9.509 16.530 6 HG SER 1 HG SER 1 2.047 -7.207 16.707 7 H HIS 2 H HIS 2 5.974 -6.732 13.777 8 HA HIS 2 HA HIS 2 3.972 -4.700 12.953 9 HB2 HIS 2 2HB HIS 2 6.726 -3.983 14.117 10 HB3 HIS 2 3HB HIS 2 5.668 -2.840 13.300 11 HD1 HIS 2 1HD HIS 2 6.578 -3.136 16.551 12 HD2 HIS 2 2HD HIS 2 2.910 -3.115 14.511 13 HE1 HIS 2 1HE HIS 2 4.839 -2.402 18.214 14 H MET 3 H MET 3 7.414 -4.331 12.252 15 HA MET 3 HA MET 3 7.352 -4.548 9.397 16 HB2 MET 3 2HB MET 3 9.731 -4.375 9.552 17 HB3 MET 3 3HB MET 3 8.983 -3.236 10.662 18 HG2 MET 3 2HG MET 3 9.582 -4.572 12.588 19 HG3 MET 3 3HG MET 3 10.044 -5.949 11.563 20 HE1 MET 3 1HE MET 3 12.325 -6.263 12.781 21 HE2 MET 3 2HE MET 3 13.527 -4.974 13.020 22 HE3 MET 3 3HE MET 3 11.971 -4.907 13.884 23 H THR 4 H THR 4 6.138 -6.937 10.498 24 HA THR 4 HA THR 4 7.982 -9.062 9.639 25 HB THR 4 HB THR 4 5.621 -9.304 11.464 26 HG1 THR 4 1HG THR 4 8.289 -9.196 12.359 27 HG21 THR 4 1HG2 THR 4 6.733 -11.375 12.207 28 HG22 THR 4 2HG2 THR 4 8.063 -11.074 11.058 29 HG23 THR 4 3HG2 THR 4 6.423 -11.403 10.463 30 H ALA 5 H ALA 5 4.444 -8.537 9.793 31 HA ALA 5 HA ALA 5 4.154 -10.179 7.355 32 HB1 ALA 5 1HB ALA 5 2.568 -10.233 9.358 33 HB2 ALA 5 2HB ALA 5 2.002 -8.613 8.854 34 HB3 ALA 5 3HB ALA 5 1.810 -10.002 7.778 35 H VAL 6 H VAL 6 3.706 -6.771 8.235 36 HA VAL 6 HA VAL 6 2.794 -5.800 5.763 37 HB VAL 6 HB VAL 6 2.833 -4.674 8.074 38 HG11 VAL 6 1HG1 VAL 6 4.543 -3.013 8.474 39 HG12 VAL 6 2HG1 VAL 6 5.336 -4.590 8.306 40 HG13 VAL 6 3HG1 VAL 6 5.375 -3.420 6.957 41 HG21 VAL 6 1HG2 VAL 6 1.751 -3.788 6.081 42 HG22 VAL 6 2HG2 VAL 6 2.545 -2.484 6.977 43 HG23 VAL 6 3HG2 VAL 6 3.304 -3.133 5.507 44 H GLN 7 H GLN 7 5.943 -6.465 6.981 45 HA GLN 7 HA GLN 7 7.498 -5.098 5.046 46 HB2 GLN 7 2HB GLN 7 8.328 -5.682 7.262 47 HB3 GLN 7 3HB GLN 7 7.965 -7.401 7.025 48 HG2 GLN 7 2HG GLN 7 10.338 -7.140 6.941 49 HG3 GLN 7 3HG GLN 7 9.804 -7.475 5.287 50 HE21 GLN 7 1HE2 GLN 7 9.050 -5.257 4.151 51 HE22 GLN 7 2HE2 GLN 7 9.986 -3.855 4.564 52 H ASP 8 H ASP 8 6.845 -8.442 5.535 53 HA ASP 8 HA ASP 8 7.951 -9.660 3.249 54 HB2 ASP 8 2HB ASP 8 7.367 -10.799 5.348 55 HB3 ASP 8 3HB ASP 8 5.660 -10.482 5.074 56 H PHE 9 H PHE 9 4.534 -8.583 3.778 57 HA PHE 9 HA PHE 9 3.601 -9.122 1.120 58 HB2 PHE 9 2HB PHE 9 1.962 -8.549 2.909 59 HB3 PHE 9 3HB PHE 9 2.851 -7.053 3.183 60 HD1 PHE 9 1HD PHE 9 2.614 -5.092 1.874 61 HD2 PHE 9 2HD PHE 9 0.662 -8.718 0.641 62 HE1 PHE 9 1HE PHE 9 1.395 -3.828 0.128 63 HE2 PHE 9 2HE PHE 9 -0.571 -7.409 -1.115 64 HZ PHE 9 HZ PHE 9 -0.234 -4.984 -1.334 65 H VAL 10 H VAL 10 4.906 -6.091 2.613 66 HA VAL 10 HA VAL 10 4.948 -4.600 0.267 67 HB VAL 10 HB VAL 10 6.755 -4.534 2.649 68 HG11 VAL 10 1HG1 VAL 10 7.216 -2.859 0.155 69 HG12 VAL 10 2HG1 VAL 10 7.618 -2.271 1.777 70 HG13 VAL 10 3HG1 VAL 10 8.390 -3.730 1.185 71 HG21 VAL 10 1HG2 VAL 10 5.474 -2.646 3.182 72 HG22 VAL 10 2HG2 VAL 10 5.099 -2.330 1.467 73 HG23 VAL 10 3HG2 VAL 10 4.276 -3.641 2.302 74 H VAL 11 H VAL 11 7.609 -6.938 1.144 75 HA VAL 11 HA VAL 11 9.129 -6.293 -1.184 76 HB VAL 11 HB VAL 11 9.227 -8.684 0.610 77 HG11 VAL 11 1HG1 VAL 11 10.104 -9.507 -1.533 78 HG12 VAL 11 2HG1 VAL 11 11.054 -8.020 -1.757 79 HG13 VAL 11 3HG1 VAL 11 11.457 -9.165 -0.459 80 HG21 VAL 11 1HG2 VAL 11 10.972 -6.212 0.109 81 HG22 VAL 11 2HG2 VAL 11 9.903 -6.472 1.498 82 HG23 VAL 11 3HG2 VAL 11 11.332 -7.502 1.283 83 H ASP 12 H ASP 12 6.252 -8.210 -0.935 84 HA ASP 12 HA ASP 12 6.436 -9.804 -3.352 85 HB2 ASP 12 2HB ASP 12 4.884 -10.058 -1.308 86 HB3 ASP 12 3HB ASP 12 3.927 -8.788 -2.030 87 H ILE 13 H ILE 13 5.252 -6.514 -2.645 88 HA ILE 13 HA ILE 13 4.493 -5.739 -5.492 89 HB ILE 13 HB ILE 13 4.403 -4.391 -2.814 90 HG12 ILE 13 2HG1 ILE 13 1.954 -4.272 -3.415 91 HG13 ILE 13 3HG1 ILE 13 2.267 -5.321 -4.794 92 HG21 ILE 13 1HG2 ILE 13 3.805 -3.444 -5.652 93 HG22 ILE 13 2HG2 ILE 13 3.288 -2.631 -4.129 94 HG23 ILE 13 3HG2 ILE 13 4.982 -2.750 -4.555 95 HD11 ILE 13 1HD1 ILE 13 2.762 -7.181 -3.304 96 HD12 ILE 13 2HD1 ILE 13 2.723 -6.085 -1.887 97 HD13 ILE 13 3HD1 ILE 13 1.254 -6.444 -2.840 98 H LEU 14 H LEU 14 7.224 -5.639 -3.391 99 HA LEU 14 HA LEU 14 8.518 -3.462 -4.632 100 HB2 LEU 14 2HB LEU 14 8.576 -4.866 -2.385 101 HB3 LEU 14 3HB LEU 14 9.926 -5.651 -3.009 102 HG LEU 14 HG LEU 14 11.188 -4.228 -1.983 103 HD11 LEU 14 1HD1 LEU 14 9.969 -2.118 -3.738 104 HD12 LEU 14 2HD1 LEU 14 11.412 -3.111 -4.139 105 HD13 LEU 14 3HD1 LEU 14 11.452 -1.970 -2.753 106 HD21 LEU 14 1HD2 LEU 14 8.564 -2.801 -1.786 107 HD22 LEU 14 2HD2 LEU 14 10.034 -2.269 -0.851 108 HD23 LEU 14 3HD2 LEU 14 9.324 -3.911 -0.651 109 H LEU 15 H LEU 15 9.769 -6.732 -4.383 110 HA LEU 15 HA LEU 15 11.646 -6.413 -6.671 111 HB2 LEU 15 2HB LEU 15 11.643 -8.363 -4.327 112 HB3 LEU 15 3HB LEU 15 12.918 -8.203 -5.506 113 HG LEU 15 HG LEU 15 12.131 -6.128 -3.417 114 HD11 LEU 15 1HD1 LEU 15 14.353 -6.551 -2.487 115 HD12 LEU 15 2HD1 LEU 15 14.685 -7.747 -3.767 116 HD13 LEU 15 3HD1 LEU 15 13.413 -8.060 -2.562 117 HD21 LEU 15 1HD2 LEU 15 12.824 -4.939 -5.470 118 HD22 LEU 15 2HD2 LEU 15 14.301 -5.934 -5.551 119 HD23 LEU 15 3HD2 LEU 15 14.047 -4.791 -4.210 120 H ASN 16 H ASN 16 9.177 -8.529 -5.247 121 HA ASN 16 HA ASN 16 9.183 -10.280 -7.595 122 HB2 ASN 16 2HB ASN 16 7.131 -9.989 -5.377 123 HB3 ASN 16 3HB ASN 16 7.126 -11.225 -6.630 124 HD21 ASN 16 1HD2 ASN 16 8.608 -10.136 -3.605 125 HD22 ASN 16 2HD2 ASN 16 9.511 -11.612 -3.328 126 H GLY 17 H GLY 17 7.647 -7.192 -6.347 127 HA2 GLY 17 2HA GLY 17 6.536 -5.655 -7.734 128 HA3 GLY 17 3HA GLY 17 6.706 -6.675 -9.096 129 H ALA 18 H ALA 18 4.512 -5.196 -8.124 130 HA ALA 18 HA ALA 18 2.382 -6.715 -7.078 131 HB1 ALA 18 1HB ALA 18 2.502 -4.259 -7.057 132 HB2 ALA 18 2HB ALA 18 2.537 -4.226 -8.828 133 HB3 ALA 18 3HB ALA 18 1.063 -4.711 -7.965 134 H ARG 19 H ARG 19 0.270 -6.673 -8.302 135 HA ARG 19 HA ARG 19 -0.100 -7.586 -11.048 136 HB2 ARG 19 2HB ARG 19 -1.692 -5.550 -9.502 137 HB3 ARG 19 3HB ARG 19 -2.223 -6.518 -10.871 138 HG2 ARG 19 2HG ARG 19 -1.813 -7.355 -8.054 139 HG3 ARG 19 3HG ARG 19 -3.313 -7.327 -8.999 140 HD2 ARG 19 2HD ARG 19 -1.057 -9.250 -9.075 141 HD3 ARG 19 3HD ARG 19 -2.764 -9.612 -8.764 142 HE ARG 19 HE ARG 19 -3.094 -9.001 -11.226 143 HH11 ARG 19 1HH1 ARG 19 0.393 -11.046 -11.571 144 HH12 ARG 19 2HH1 ARG 19 -0.098 -10.503 -10.019 145 HH21 ARG 19 1HH2 ARG 19 -0.855 -10.530 -13.415 146 HH22 ARG 19 2HH2 ARG 19 -2.307 -9.566 -13.288 147 H ASP 20 H ASP 20 -1.361 -5.682 -12.004 148 HA ASP 20 HA ASP 20 0.184 -4.466 -13.915 149 HB2 ASP 20 2HB ASP 20 -2.601 -4.456 -12.782 150 HB3 ASP 20 3HB ASP 20 -2.195 -3.092 -13.724 151 H TRP 21 H TRP 21 0.259 -3.289 -10.676 152 HA TRP 21 HA TRP 21 0.407 -0.530 -11.148 153 HB2 TRP 21 2HB TRP 21 1.759 -2.110 -8.866 154 HB3 TRP 21 3HB TRP 21 1.301 -0.443 -8.939 155 HD1 TRP 21 1HD TRP 21 -1.077 -3.457 -9.731 156 HE1 TRP 21 1HE TRP 21 -3.294 -2.997 -8.659 157 HE3 TRP 21 3HE TRP 21 0.215 0.676 -6.984 158 HZ2 TRP 21 2HZ TRP 21 -4.459 -0.854 -7.255 159 HZ3 TRP 21 3HZ TRP 21 -1.568 2.004 -5.913 160 HH2 TRP 21 2HH TRP 21 -3.902 1.220 -5.984 161 H ASP 22 H ASP 22 2.244 0.696 -10.586 162 HA ASP 22 HA ASP 22 4.833 -0.120 -11.860 163 HB2 ASP 22 2HB ASP 22 3.900 1.807 -13.088 164 HB3 ASP 22 3HB ASP 22 3.508 2.641 -11.596 165 H VAL 23 H VAL 23 6.730 0.996 -10.493 166 HA VAL 23 HA VAL 23 5.951 0.177 -7.697 167 HB VAL 23 HB VAL 23 8.364 -1.028 -9.156 168 HG11 VAL 23 1HG1 VAL 23 8.839 -2.224 -7.059 169 HG12 VAL 23 2HG1 VAL 23 8.943 -0.433 -6.826 170 HG13 VAL 23 3HG1 VAL 23 7.493 -1.337 -6.330 171 HG21 VAL 23 1HG2 VAL 23 7.340 -3.220 -8.683 172 HG22 VAL 23 2HG2 VAL 23 5.944 -2.335 -8.076 173 HG23 VAL 23 3HG2 VAL 23 6.326 -2.217 -9.803 174 H LEU 24 H LEU 24 6.019 1.738 -6.896 175 HA LEU 24 HA LEU 24 8.177 3.704 -7.164 176 HB2 LEU 24 2HB LEU 24 5.152 4.127 -7.334 177 HB3 LEU 24 3HB LEU 24 6.294 5.205 -6.805 178 HG LEU 24 HG LEU 24 5.514 4.700 -9.503 179 HD11 LEU 24 1HD1 LEU 24 7.309 6.888 -8.229 180 HD12 LEU 24 2HD1 LEU 24 5.511 6.902 -8.343 181 HD13 LEU 24 3HD1 LEU 24 6.537 6.978 -9.802 182 HD21 LEU 24 1HD2 LEU 24 7.761 5.135 -10.575 183 HD22 LEU 24 2HD2 LEU 24 7.611 3.541 -9.919 184 HD23 LEU 24 3HD2 LEU 24 8.587 4.771 -9.078 185 H GLN 25 H GLN 25 9.205 3.787 -5.338 186 HA GLN 25 HA GLN 25 7.793 3.737 -2.895 187 HB2 GLN 25 2HB GLN 25 10.601 3.052 -3.827 188 HB3 GLN 25 3HB GLN 25 10.365 3.894 -2.276 189 HG2 GLN 25 2HG GLN 25 10.051 1.972 -1.516 190 HG3 GLN 25 3HG GLN 25 8.345 2.252 -1.810 191 HE21 GLN 25 1HE2 GLN 25 9.941 1.345 -4.816 192 HE22 GLN 25 2HE2 GLN 25 9.489 -0.375 -4.666 193 H THR 26 H THR 26 6.924 5.674 -3.011 194 HA THR 26 HA THR 26 8.434 7.973 -2.446 195 HB THR 26 HB THR 26 7.644 8.445 -4.644 196 HG1 THR 26 1HG THR 26 7.671 10.253 -3.495 197 HG21 THR 26 1HG2 THR 26 4.829 7.991 -3.605 198 HG22 THR 26 2HG2 THR 26 5.684 7.011 -4.899 199 HG23 THR 26 3HG2 THR 26 5.247 8.729 -5.108 200 H THR 27 H THR 27 6.315 9.554 -1.332 201 HA THR 27 HA THR 27 5.146 7.859 0.747 202 HB THR 27 HB THR 27 5.936 9.218 2.594 203 HG1 THR 27 1HG THR 27 6.498 11.082 1.416 204 HG21 THR 27 1HG2 THR 27 8.133 8.328 2.917 205 HG22 THR 27 2HG2 THR 27 8.366 8.136 1.192 206 HG23 THR 27 3HG2 THR 27 7.192 7.088 2.056 207 H CYS 28 H CYS 28 3.283 8.661 1.453 208 HA CYS 28 HA CYS 28 2.457 11.216 0.087 209 HB2 CYS 28 2HB CYS 28 1.749 9.382 -1.072 210 HB3 CYS 28 3HB CYS 28 1.058 8.534 0.303 211 HG CYS 28 HG CYS 28 -0.909 10.264 0.638 212 H THR 29 H THR 29 1.069 12.481 1.023 213 HA THR 29 HA THR 29 0.782 11.955 3.876 214 HB THR 29 HB THR 29 1.315 14.617 2.391 215 HG1 THR 29 1HG THR 29 3.355 14.485 3.508 216 HG21 THR 29 1HG2 THR 29 1.741 15.542 4.753 217 HG22 THR 29 2HG2 THR 29 0.825 14.129 5.353 218 HG23 THR 29 3HG2 THR 29 0.052 15.286 4.279 219 H VAL 30 H VAL 30 -1.055 11.665 4.449 220 HA VAL 30 HA VAL 30 -3.444 13.237 3.646 221 HB VAL 30 HB VAL 30 -3.337 10.276 2.946 222 HG11 VAL 30 1HG1 VAL 30 -5.661 12.230 2.689 223 HG12 VAL 30 2HG1 VAL 30 -5.609 10.599 1.975 224 HG13 VAL 30 3HG1 VAL 30 -5.596 10.778 3.720 225 HG21 VAL 30 1HG2 VAL 30 -3.851 11.101 0.617 226 HG22 VAL 30 2HG2 VAL 30 -3.525 12.741 1.185 227 HG23 VAL 30 3HG2 VAL 30 -2.236 11.516 1.196 228 H ASP 31 H ASP 31 -5.305 12.839 5.021 229 HA ASP 31 HA ASP 31 -6.370 12.449 7.013 230 HB2 ASP 31 2HB ASP 31 -5.571 10.081 6.272 231 HB3 ASP 31 3HB ASP 31 -4.476 10.158 7.627 232 H ARG 32 H ARG 32 -3.727 13.783 6.725 233 HA ARG 32 HA ARG 32 -2.358 15.239 7.911 234 HB2 ARG 32 2HB ARG 32 -3.586 14.285 10.526 235 HB3 ARG 32 3HB ARG 32 -2.666 15.755 10.252 236 HG2 ARG 32 2HG ARG 32 -4.419 16.783 8.960 237 HG3 ARG 32 3HG ARG 32 -5.333 15.280 8.870 238 HD2 ARG 32 2HD ARG 32 -4.893 16.919 11.356 239 HD3 ARG 32 3HD ARG 32 -6.398 16.749 10.448 240 HE ARG 32 HE ARG 32 -5.180 14.826 12.343 241 HH11 ARG 32 1HH1 ARG 32 -8.165 13.313 10.162 242 HH12 ARG 32 2HH1 ARG 32 -7.445 14.777 9.548 243 HH21 ARG 32 1HH2 ARG 32 -7.459 12.391 12.105 244 HH22 ARG 32 2HH2 ARG 32 -6.121 13.120 12.963 245 H LYS 33 H LYS 33 -2.066 12.275 7.446 246 HA LYS 33 HA LYS 33 0.208 11.579 9.220 247 HB2 LYS 33 2HB LYS 33 -1.619 10.121 9.857 248 HB3 LYS 33 3HB LYS 33 -2.188 10.017 8.211 249 HG2 LYS 33 2HG LYS 33 -1.450 7.961 8.823 250 HG3 LYS 33 3HG LYS 33 -0.267 8.533 7.652 251 HD2 LYS 33 2HD LYS 33 1.449 8.515 9.235 252 HD3 LYS 33 3HD LYS 33 0.353 8.933 10.574 253 HE2 LYS 33 2HE LYS 33 -0.645 6.772 10.546 254 HE3 LYS 33 3HE LYS 33 0.232 6.274 9.075 255 HZ1 LYS 33 1HZ LYS 33 2.250 6.201 10.262 256 HZ2 LYS 33 2HZ LYS 33 1.228 5.347 11.109 257 HZ3 LYS 33 3HZ LYS 33 1.600 6.882 11.640 258 H VAL 34 H VAL 34 1.736 10.255 8.048 259 HA VAL 34 HA VAL 34 1.677 10.538 5.113 260 HB VAL 34 HB VAL 34 4.048 10.606 6.838 261 HG11 VAL 34 1HG1 VAL 34 4.628 9.756 4.616 262 HG12 VAL 34 2HG1 VAL 34 3.831 11.155 3.857 263 HG13 VAL 34 3HG1 VAL 34 5.322 11.372 4.805 264 HG21 VAL 34 1HG2 VAL 34 3.127 12.635 7.403 265 HG22 VAL 34 2HG2 VAL 34 4.356 13.037 6.198 266 HG23 VAL 34 3HG2 VAL 34 2.639 12.965 5.745 267 H TYR 35 H TYR 35 2.024 8.762 4.062 268 HA TYR 35 HA TYR 35 2.683 6.187 5.415 269 HB2 TYR 35 2HB TYR 35 1.027 6.775 2.916 270 HB3 TYR 35 3HB TYR 35 1.213 5.206 3.755 271 HD1 TYR 35 1HD TYR 35 -0.493 8.468 3.716 272 HD2 TYR 35 2HD TYR 35 0.318 4.895 5.965 273 HE1 TYR 35 1HE TYR 35 -2.505 8.914 5.115 274 HE2 TYR 35 2HE TYR 35 -1.728 5.334 7.423 275 HH TYR 35 HH TYR 35 -3.792 8.212 6.877 276 H LYS 36 H LYS 36 3.832 4.651 3.977 277 HA LYS 36 HA LYS 36 5.424 6.064 1.863 278 HB2 LYS 36 2HB LYS 36 6.105 3.564 3.320 279 HB3 LYS 36 3HB LYS 36 7.097 4.556 2.358 280 HG2 LYS 36 2HG LYS 36 6.996 6.325 4.143 281 HG3 LYS 36 3HG LYS 36 5.949 5.278 5.102 282 HD2 LYS 36 2HD LYS 36 8.376 5.332 5.785 283 HD3 LYS 36 3HD LYS 36 7.688 3.708 5.527 284 HE2 LYS 36 2HE LYS 36 8.910 3.329 3.597 285 HE3 LYS 36 3HE LYS 36 9.018 5.034 3.173 286 HZ1 LYS 36 1HZ LYS 36 10.540 3.740 5.348 287 HZ2 LYS 36 2HZ LYS 36 10.642 5.341 4.887 288 HZ3 LYS 36 3HZ LYS 36 11.121 4.120 3.865 289 H THR 37 H THR 37 5.302 5.387 -0.219 290 HA THR 37 HA THR 37 3.076 3.612 -0.831 291 HB THR 37 HB THR 37 2.971 4.602 -2.909 292 HG1 THR 37 1HG THR 37 5.164 4.453 -3.478 293 HG21 THR 37 1HG2 THR 37 4.042 6.931 -1.303 294 HG22 THR 37 2HG2 THR 37 2.419 6.330 -1.126 295 HG23 THR 37 3HG2 THR 37 2.920 7.014 -2.672 296 H ILE 38 H ILE 38 3.410 1.850 -2.136 297 HA ILE 38 HA ILE 38 6.260 0.878 -2.525 298 HB ILE 38 HB ILE 38 3.881 -0.899 -3.097 299 HG12 ILE 38 2HG1 ILE 38 4.743 -0.190 -0.190 300 HG13 ILE 38 3HG1 ILE 38 3.190 0.139 -0.871 301 HG21 ILE 38 1HG2 ILE 38 5.555 -2.567 -2.206 302 HG22 ILE 38 2HG2 ILE 38 6.395 -1.469 -3.296 303 HG23 ILE 38 3HG2 ILE 38 6.546 -1.271 -1.539 304 HD11 ILE 38 1HD1 ILE 38 2.957 -1.868 0.438 305 HD12 ILE 38 2HD1 ILE 38 2.653 -2.199 -1.266 306 HD13 ILE 38 3HD1 ILE 38 4.180 -2.710 -0.553 307 H CYS 39 H CYS 39 3.081 1.287 -3.999 308 HA CYS 39 HA CYS 39 4.237 1.195 -6.661 309 HB2 CYS 39 2HB CYS 39 2.678 -0.741 -7.249 310 HB3 CYS 39 3HB CYS 39 3.787 -0.976 -6.410 311 HG CYS 39 HG CYS 39 2.170 -0.543 -4.026 312 H LYS 40 H LYS 40 3.063 2.240 -8.168 313 HA LYS 40 HA LYS 40 0.675 3.396 -7.155 314 HB2 LYS 40 2HB LYS 40 2.716 4.906 -7.629 315 HB3 LYS 40 3HB LYS 40 2.690 4.248 -9.308 316 HG2 LYS 40 2HG LYS 40 0.343 5.810 -8.559 317 HG3 LYS 40 3HG LYS 40 1.985 6.558 -8.639 318 HD2 LYS 40 2HD LYS 40 2.148 5.579 -10.904 319 HD3 LYS 40 3HD LYS 40 0.624 4.840 -10.814 320 HE2 LYS 40 2HE LYS 40 0.273 6.888 -12.063 321 HE3 LYS 40 3HE LYS 40 -0.223 7.332 -10.372 322 HZ1 LYS 40 1HZ LYS 40 1.227 8.989 -11.471 323 HZ2 LYS 40 2HZ LYS 40 2.474 7.878 -11.515 324 HZ3 LYS 40 3HZ LYS 40 1.868 8.418 -10.102 325 H ARG 41 H ARG 41 -1.146 3.444 -8.480 326 HA ARG 41 HA ARG 41 -0.869 2.437 -11.230 327 HB2 ARG 41 2HB ARG 41 -1.385 0.391 -9.952 328 HB3 ARG 41 3HB ARG 41 -2.916 1.162 -9.464 329 HG2 ARG 41 2HG ARG 41 -3.109 1.557 -12.114 330 HG3 ARG 41 3HG ARG 41 -1.918 0.314 -12.207 331 HD2 ARG 41 2HD ARG 41 -3.340 -1.127 -10.836 332 HD3 ARG 41 3HD ARG 41 -4.556 0.129 -10.636 333 HE ARG 41 HE ARG 41 -3.817 -1.088 -13.297 334 HH11 ARG 41 1HH1 ARG 41 -7.600 -0.159 -12.331 335 HH12 ARG 41 2HH1 ARG 41 -6.464 -0.213 -11.018 336 HH21 ARG 41 1HH2 ARG 41 -7.145 -0.772 -14.291 337 HH22 ARG 41 2HH2 ARG 41 -5.530 -1.212 -14.833 338 H GLY 42 H GLY 42 -1.531 3.981 -12.229 339 HA2 GLY 42 2HA GLY 42 -2.761 5.762 -12.985 340 HA3 GLY 42 3HA GLY 42 -4.189 4.887 -12.350 341 H ASN 43 H ASN 43 -5.317 6.098 -10.961 342 HA ASN 43 HA ASN 43 -4.154 8.429 -9.717 343 HB2 ASN 43 2HB ASN 43 -6.292 9.065 -9.059 344 HB3 ASN 43 3HB ASN 43 -6.423 8.349 -10.632 345 HD21 ASN 43 1HD2 ASN 43 -6.343 5.498 -9.396 346 HD22 ASN 43 2HD2 ASN 43 -7.990 5.346 -8.827 347 H THR 44 H THR 44 -3.612 5.401 -8.805 348 HA THR 44 HA THR 44 -3.857 6.051 -5.879 349 HB THR 44 HB THR 44 -5.669 4.815 -6.480 350 HG1 THR 44 1HG THR 44 -5.540 3.658 -4.714 351 HG21 THR 44 1HG2 THR 44 -5.582 2.349 -7.010 352 HG22 THR 44 2HG2 THR 44 -3.974 2.739 -7.682 353 HG23 THR 44 3HG2 THR 44 -5.419 3.540 -8.301 354 H TYR 45 H TYR 45 -2.706 4.531 -4.412 355 HA TYR 45 HA TYR 45 0.062 4.271 -5.022 356 HB2 TYR 45 2HB TYR 45 -1.120 6.691 -3.461 357 HB3 TYR 45 3HB TYR 45 0.577 6.024 -3.240 358 HD1 TYR 45 1HD TYR 45 -1.764 7.362 -5.783 359 HD2 TYR 45 2HD TYR 45 2.376 6.518 -4.651 360 HE1 TYR 45 1HE TYR 45 -0.885 8.802 -7.740 361 HE2 TYR 45 2HE TYR 45 3.071 8.025 -6.611 362 HH TYR 45 HH TYR 45 2.610 9.471 -8.196 363 H LEU 46 H LEU 46 0.058 2.420 -4.039 364 HA LEU 46 HA LEU 46 -1.548 1.936 -1.613 365 HB2 LEU 46 2HB LEU 46 -0.257 0.481 -3.909 366 HB3 LEU 46 3HB LEU 46 -0.271 -0.300 -2.387 367 HG LEU 46 HG LEU 46 -2.183 -0.627 -4.142 368 HD11 LEU 46 1HD1 LEU 46 -2.746 -0.453 -1.124 369 HD12 LEU 46 2HD1 LEU 46 -1.998 -1.831 -1.920 370 HD13 LEU 46 3HD1 LEU 46 -3.684 -1.423 -2.291 371 HD21 LEU 46 1HD2 LEU 46 -3.450 1.406 -2.328 372 HD22 LEU 46 2HD2 LEU 46 -4.197 0.632 -3.678 373 HD23 LEU 46 3HD2 LEU 46 -2.920 1.834 -3.959 374 H CYS 47 H CYS 47 -0.730 1.884 0.310 375 HA CYS 47 HA CYS 47 2.184 2.278 0.627 376 HB2 CYS 47 2HB CYS 47 0.112 3.932 2.141 377 HB3 CYS 47 3HB CYS 47 1.839 4.254 1.919 378 HG CYS 47 HG CYS 47 -0.590 4.370 -0.365 379 H PHE 48 H PHE 48 2.801 2.309 2.964 380 HA PHE 48 HA PHE 48 1.107 0.504 4.583 381 HB2 PHE 48 2HB PHE 48 2.892 -0.897 5.086 382 HB3 PHE 48 3HB PHE 48 2.830 -0.748 3.348 383 HD1 PHE 48 1HD PHE 48 4.817 -0.365 6.300 384 HD2 PHE 48 2HD PHE 48 4.485 0.551 2.118 385 HE1 PHE 48 1HE PHE 48 7.309 -0.344 6.102 386 HE2 PHE 48 2HE PHE 48 6.955 0.691 1.913 387 HZ PHE 48 HZ PHE 48 8.392 0.211 3.917 388 H ASP 49 H ASP 49 1.602 0.207 6.713 389 HA ASP 49 HA ASP 49 3.282 2.203 8.079 390 HB2 ASP 49 2HB ASP 49 1.090 3.027 7.950 391 HB3 ASP 49 3HB ASP 49 0.399 1.871 9.035 392 H ASP 50 H ASP 50 2.075 1.592 10.624 393 HA ASP 50 HA ASP 50 4.143 0.275 10.707 394 HB2 ASP 50 2HB ASP 50 2.155 0.970 12.809 395 HB3 ASP 50 3HB ASP 50 3.421 -0.094 13.407 396 H THR 51 H THR 51 1.252 -0.918 10.325 397 HA THR 51 HA THR 51 1.093 -3.442 11.858 398 HB THR 51 HB THR 51 -1.342 -2.720 12.025 399 HG1 THR 51 1HG THR 51 -1.889 -1.145 10.809 400 HG21 THR 51 1HG2 THR 51 -1.081 -0.939 13.622 401 HG22 THR 51 2HG2 THR 51 0.557 -0.588 13.049 402 HG23 THR 51 3HG2 THR 51 0.221 -2.135 13.877 403 H ASN 52 H ASN 52 0.676 -2.005 8.629 404 HA ASN 52 HA ASN 52 -0.694 -3.736 7.163 405 HB2 ASN 52 2HB ASN 52 -2.965 -2.965 7.226 406 HB3 ASN 52 3HB ASN 52 -2.640 -3.919 8.594 407 HD21 ASN 52 1HD2 ASN 52 -2.944 -0.497 7.505 408 HD22 ASN 52 2HD2 ASN 52 -3.520 0.096 9.059 409 H LEU 53 H LEU 53 -2.440 -2.241 5.897 410 HA LEU 53 HA LEU 53 -0.611 -0.464 4.370 411 HB2 LEU 53 2HB LEU 53 -2.518 -2.756 3.667 412 HB3 LEU 53 3HB LEU 53 -1.574 -1.847 2.491 413 HG LEU 53 HG LEU 53 -0.449 -3.575 4.775 414 HD11 LEU 53 1HD1 LEU 53 0.284 -4.948 3.038 415 HD12 LEU 53 2HD1 LEU 53 -0.532 -3.938 1.829 416 HD13 LEU 53 3HD1 LEU 53 -1.489 -4.840 3.054 417 HD21 LEU 53 1HD2 LEU 53 1.729 -3.274 3.547 418 HD22 LEU 53 2HD2 LEU 53 1.096 -1.834 4.332 419 HD23 LEU 53 3HD2 LEU 53 0.950 -2.012 2.563 420 H TYR 54 H TYR 54 -1.764 0.736 2.685 421 HA TYR 54 HA TYR 54 -4.604 1.245 3.155 422 HB2 TYR 54 2HB TYR 54 -2.900 3.738 3.094 423 HB3 TYR 54 3HB TYR 54 -4.540 3.514 3.507 424 HD1 TYR 54 1HD TYR 54 -1.288 2.046 4.926 425 HD2 TYR 54 2HD TYR 54 -5.032 4.043 5.642 426 HE1 TYR 54 1HE TYR 54 -1.065 1.573 7.326 427 HE2 TYR 54 2HE TYR 54 -4.582 4.018 8.048 428 HH TYR 54 HH TYR 54 -1.822 2.158 9.460 429 H ALA 55 H ALA 55 -5.608 2.007 1.266 430 HA ALA 55 HA ALA 55 -3.793 2.756 -0.991 431 HB1 ALA 55 1HB ALA 55 -5.784 2.775 -2.387 432 HB2 ALA 55 2HB ALA 55 -5.763 1.217 -1.545 433 HB3 ALA 55 3HB ALA 55 -6.843 2.512 -0.995 434 H ILE 56 H ILE 56 -3.386 4.722 -1.503 435 HA ILE 56 HA ILE 56 -5.373 6.728 -0.571 436 HB ILE 56 HB ILE 56 -2.462 7.139 -1.153 437 HG12 ILE 56 2HG1 ILE 56 -3.117 8.542 1.132 438 HG13 ILE 56 3HG1 ILE 56 -4.320 7.303 1.246 439 HG21 ILE 56 1HG2 ILE 56 -4.766 9.145 -0.761 440 HG22 ILE 56 2HG2 ILE 56 -3.047 9.592 -0.869 441 HG23 ILE 56 3HG2 ILE 56 -3.851 8.934 -2.284 442 HD11 ILE 56 1HD1 ILE 56 -1.306 6.965 1.209 443 HD12 ILE 56 2HD1 ILE 56 -2.440 6.669 2.555 444 HD13 ILE 56 3HD1 ILE 56 -2.439 5.586 1.144 445 H THR 57 H THR 57 -6.853 6.474 -2.063 446 HA THR 57 HA THR 57 -6.075 6.326 -4.968 447 HB THR 57 HB THR 57 -8.621 5.393 -3.547 448 HG1 THR 57 1HG THR 57 -7.737 3.343 -4.521 449 HG21 THR 57 1HG2 THR 57 -9.126 6.173 -5.845 450 HG22 THR 57 2HG2 THR 57 -9.225 4.405 -5.753 451 HG23 THR 57 3HG2 THR 57 -7.810 5.186 -6.504 452 H GLY 58 H GLY 58 -6.203 8.321 -5.882 453 HA2 GLY 58 2HA GLY 58 -6.946 10.488 -6.272 454 HA3 GLY 58 3HA GLY 58 -8.546 9.897 -5.853 455 H ASP 59 H ASP 59 -6.456 9.591 -3.256 456 HA ASP 59 HA ASP 59 -5.767 10.842 -1.448 457 HB2 ASP 59 2HB ASP 59 -6.394 13.032 -3.091 458 HB3 ASP 59 3HB ASP 59 -7.387 13.233 -1.620 459 H VAL 60 H VAL 60 -7.977 9.126 -2.029 460 HA VAL 60 HA VAL 60 -9.547 9.316 0.469 461 HB VAL 60 HB VAL 60 -9.757 7.390 -1.914 462 HG11 VAL 60 1HG1 VAL 60 -10.032 6.069 -0.042 463 HG12 VAL 60 2HG1 VAL 60 -11.121 7.269 0.729 464 HG13 VAL 60 3HG1 VAL 60 -11.636 6.377 -0.737 465 HG21 VAL 60 1HG2 VAL 60 -10.867 9.565 -2.332 466 HG22 VAL 60 2HG2 VAL 60 -12.039 8.245 -2.174 467 HG23 VAL 60 3HG2 VAL 60 -11.782 9.357 -0.814 468 H VAL 61 H VAL 61 -8.273 8.766 2.022 469 HA VAL 61 HA VAL 61 -6.338 6.576 1.912 470 HB VAL 61 HB VAL 61 -6.184 8.572 3.277 471 HG11 VAL 61 1HG1 VAL 61 -7.271 8.701 5.495 472 HG12 VAL 61 2HG1 VAL 61 -8.512 8.636 4.234 473 HG13 VAL 61 3HG1 VAL 61 -8.134 7.186 5.201 474 HG21 VAL 61 1HG2 VAL 61 -5.093 7.422 5.186 475 HG22 VAL 61 2HG2 VAL 61 -6.000 5.943 4.897 476 HG23 VAL 61 3HG2 VAL 61 -4.802 6.503 3.709 477 H LEU 62 H LEU 62 -6.723 4.516 2.219 478 HA LEU 62 HA LEU 62 -9.249 3.541 3.472 479 HB2 LEU 62 2HB LEU 62 -9.659 3.673 1.153 480 HB3 LEU 62 3HB LEU 62 -8.153 2.921 0.723 481 HG LEU 62 HG LEU 62 -8.952 0.804 0.904 482 HD11 LEU 62 1HD1 LEU 62 -10.755 0.005 2.498 483 HD12 LEU 62 2HD1 LEU 62 -10.666 1.577 3.304 484 HD13 LEU 62 3HD1 LEU 62 -9.260 0.476 3.271 485 HD21 LEU 62 1HD2 LEU 62 -11.333 0.681 0.319 486 HD22 LEU 62 2HD2 LEU 62 -10.574 2.072 -0.475 487 HD23 LEU 62 3HD2 LEU 62 -11.581 2.317 0.974 488 H LYS 63 H LYS 63 -8.001 3.162 5.202 489 HA LYS 63 HA LYS 63 -5.777 1.420 5.451 490 HB2 LYS 63 2HB LYS 63 -6.414 1.192 7.808 491 HB3 LYS 63 3HB LYS 63 -6.424 2.862 7.253 492 HG2 LYS 63 2HG LYS 63 -8.822 2.961 7.174 493 HG3 LYS 63 3HG LYS 63 -8.979 1.258 7.596 494 HD2 LYS 63 2HD LYS 63 -7.602 3.317 9.371 495 HD3 LYS 63 3HD LYS 63 -9.315 2.912 9.503 496 HE2 LYS 63 2HE LYS 63 -7.076 0.854 9.758 497 HE3 LYS 63 3HE LYS 63 -7.779 1.708 11.139 498 HZ1 LYS 63 1HZ LYS 63 -9.834 0.717 10.773 499 HZ2 LYS 63 2HZ LYS 63 -8.798 -0.531 10.608 500 HZ3 LYS 63 3HZ LYS 63 -9.453 0.157 9.262 501 H PHE 64 H PHE 64 -5.442 -0.659 5.258 502 HA PHE 64 HA PHE 64 -7.668 -2.582 4.766 503 HB2 PHE 64 2HB PHE 64 -4.719 -2.812 4.499 504 HB3 PHE 64 3HB PHE 64 -5.773 -4.056 4.289 505 HD1 PHE 64 1HD PHE 64 -4.048 -1.540 2.565 506 HD2 PHE 64 2HD PHE 64 -7.922 -3.411 2.614 507 HE1 PHE 64 1HE PHE 64 -4.430 -0.790 0.261 508 HE2 PHE 64 2HE PHE 64 -8.309 -2.642 0.309 509 HZ PHE 64 HZ PHE 64 -6.523 -1.357 -0.910 510 H ALA 65 H ALA 65 -8.322 -3.937 6.543 511 HA ALA 65 HA ALA 65 -7.136 -3.859 9.103 512 HB1 ALA 65 1HB ALA 65 -9.462 -4.611 8.594 513 HB2 ALA 65 2HB ALA 65 -8.771 -6.090 7.842 514 HB3 ALA 65 3HB ALA 65 -8.552 -5.796 9.576 515 H THR 66 H THR 66 -5.567 -5.284 6.464 516 HA THR 66 HA THR 66 -3.923 -7.121 7.984 517 HB THR 66 HB THR 66 -4.832 -8.496 5.660 518 HG1 THR 66 1HG THR 66 -6.797 -8.210 7.749 519 HG21 THR 66 1HG2 THR 66 -5.231 -10.370 7.095 520 HG22 THR 66 2HG2 THR 66 -5.237 -9.354 8.558 521 HG23 THR 66 3HG2 THR 66 -3.744 -9.564 7.631 522 H VAL 67 H VAL 67 -2.625 -8.282 6.444 523 HA VAL 67 HA VAL 67 -1.624 -6.198 4.661 524 HB VAL 67 HB VAL 67 -0.309 -8.850 4.877 525 HG11 VAL 67 1HG1 VAL 67 0.373 -6.881 3.661 526 HG12 VAL 67 2HG1 VAL 67 0.384 -5.906 5.184 527 HG13 VAL 67 3HG1 VAL 67 1.611 -7.184 4.955 528 HG21 VAL 67 1HG2 VAL 67 1.104 -8.327 6.617 529 HG22 VAL 67 2HG2 VAL 67 0.108 -6.963 7.205 530 HG23 VAL 67 3HG2 VAL 67 -0.523 -8.650 7.290 531 H SER 68 H SER 68 -2.838 -9.581 4.487 532 HA SER 68 HA SER 68 -2.559 -9.993 1.693 533 HB2 SER 68 2HB SER 68 -4.418 -11.652 2.018 534 HB3 SER 68 3HB SER 68 -3.118 -11.823 3.212 535 HG SER 68 HG SER 68 -5.311 -11.835 4.109 536 H LYS 69 H LYS 69 -4.888 -7.956 3.392 537 HA LYS 69 HA LYS 69 -6.897 -7.886 1.432 538 HB2 LYS 69 2HB LYS 69 -5.683 -5.640 3.066 539 HB3 LYS 69 3HB LYS 69 -7.322 -5.589 2.435 540 HG2 LYS 69 2HG LYS 69 -6.733 -7.813 4.350 541 HG3 LYS 69 3HG LYS 69 -6.506 -6.172 4.991 542 HD2 LYS 69 2HD LYS 69 -8.745 -6.657 5.484 543 HD3 LYS 69 3HD LYS 69 -8.700 -5.550 4.075 544 HE2 LYS 69 2HE LYS 69 -8.454 -8.066 2.883 545 HE3 LYS 69 3HE LYS 69 -9.182 -8.606 4.346 546 HZ1 LYS 69 1HZ LYS 69 -11.171 -7.245 3.809 547 HZ2 LYS 69 2HZ LYS 69 -10.817 -8.262 2.572 548 HZ3 LYS 69 3HZ LYS 69 -10.413 -6.704 2.417 549 H ALA 70 H ALA 70 -4.142 -5.731 1.757 550 HA ALA 70 HA ALA 70 -4.741 -4.143 -0.507 551 HB1 ALA 70 1HB ALA 70 -2.066 -4.982 0.646 552 HB2 ALA 70 2HB ALA 70 -2.318 -3.565 -0.403 553 HB3 ALA 70 3HB ALA 70 -3.061 -3.620 1.216 554 H ARG 71 H ARG 71 -3.272 -7.308 -0.377 555 HA ARG 71 HA ARG 71 -2.217 -7.523 -3.006 556 HB2 ARG 71 2HB ARG 71 -1.915 -9.054 -0.868 557 HB3 ARG 71 3HB ARG 71 -3.269 -9.938 -1.553 558 HG2 ARG 71 2HG ARG 71 -2.081 -10.574 -3.475 559 HG3 ARG 71 3HG ARG 71 -1.030 -9.137 -3.437 560 HD2 ARG 71 2HD ARG 71 0.377 -10.771 -2.932 561 HD3 ARG 71 3HD ARG 71 0.034 -10.060 -1.331 562 HE ARG 71 HE ARG 71 -1.754 -12.129 -1.442 563 HH11 ARG 71 1HH1 ARG 71 1.712 -13.957 -2.368 564 HH12 ARG 71 2HH1 ARG 71 1.691 -12.216 -2.383 565 HH21 ARG 71 1HH2 ARG 71 -0.117 -15.130 -1.718 566 HH22 ARG 71 2HH2 ARG 71 -1.597 -14.344 -1.346 567 H ALA 72 H ALA 72 -5.359 -8.473 -1.549 568 HA ALA 72 HA ALA 72 -6.593 -9.283 -4.051 569 HB1 ALA 72 1HB ALA 72 -7.761 -8.611 -1.312 570 HB2 ALA 72 2HB ALA 72 -8.582 -9.484 -2.611 571 HB3 ALA 72 3HB ALA 72 -7.170 -10.215 -1.809 572 H TYR 73 H TYR 73 -5.987 -6.194 -2.657 573 HA TYR 73 HA TYR 73 -8.231 -4.773 -4.044 574 HB2 TYR 73 2HB TYR 73 -7.634 -3.908 -1.914 575 HB3 TYR 73 3HB TYR 73 -5.916 -3.889 -2.364 576 HD1 TYR 73 1HD TYR 73 -9.070 -2.007 -2.658 577 HD2 TYR 73 2HD TYR 73 -5.083 -2.434 -4.100 578 HE1 TYR 73 1HE TYR 73 -9.227 0.242 -3.780 579 HE2 TYR 73 2HE TYR 73 -5.206 -0.422 -5.354 580 HH TYR 73 HH TYR 73 -7.493 1.051 -6.282 581 H LEU 74 H LEU 74 -4.704 -5.308 -4.339 582 HA LEU 74 HA LEU 74 -4.057 -3.596 -6.388 583 HB2 LEU 74 2HB LEU 74 -3.216 -6.300 -5.307 584 HB3 LEU 74 3HB LEU 74 -2.415 -5.689 -6.675 585 HG LEU 74 HG LEU 74 -1.714 -5.209 -4.028 586 HD11 LEU 74 1HD1 LEU 74 -0.395 -5.182 -6.030 587 HD12 LEU 74 2HD1 LEU 74 -0.134 -3.710 -4.998 588 HD13 LEU 74 3HD1 LEU 74 -1.205 -3.573 -6.446 589 HD21 LEU 74 1HD2 LEU 74 -2.643 -2.583 -5.299 590 HD22 LEU 74 2HD2 LEU 74 -1.652 -2.772 -3.863 591 HD23 LEU 74 3HD2 LEU 74 -3.323 -3.317 -3.781 592 H GLU 75 H GLU 75 -5.533 -6.722 -6.733 593 HA GLU 75 HA GLU 75 -5.370 -6.612 -9.673 594 HB2 GLU 75 2HB GLU 75 -6.854 -8.766 -9.301 595 HB3 GLU 75 3HB GLU 75 -5.137 -8.749 -9.239 596 HG2 GLU 75 2HG GLU 75 -5.227 -8.578 -6.715 597 HG3 GLU 75 3HG GLU 75 -6.969 -8.853 -6.852 598 H THR 76 H THR 76 -7.157 -4.984 -7.478 599 HA THR 76 HA THR 76 -9.672 -4.965 -9.082 600 HB THR 76 HB THR 76 -9.644 -4.937 -6.046 601 HG1 THR 76 1HG THR 76 -9.186 -6.962 -6.055 602 HG21 THR 76 1HG2 THR 76 -11.961 -5.767 -6.477 603 HG22 THR 76 2HG2 THR 76 -11.645 -5.655 -8.237 604 HG23 THR 76 3HG2 THR 76 -11.667 -4.181 -7.253 605 H LYS 77 H LYS 77 -8.530 -3.045 -9.879 606 HA LYS 77 HA LYS 77 -8.778 -0.916 -10.427 607 HB2 LYS 77 2HB LYS 77 -10.912 -1.273 -8.449 608 HB3 LYS 77 3HB LYS 77 -10.462 0.410 -8.716 609 HG2 LYS 77 2HG LYS 77 -12.191 -0.077 -10.240 610 HG3 LYS 77 3HG LYS 77 -10.716 -0.002 -11.183 611 HD2 LYS 77 2HD LYS 77 -10.656 -2.603 -10.958 612 HD3 LYS 77 3HD LYS 77 -12.337 -2.466 -10.373 613 HE2 LYS 77 2HE LYS 77 -11.183 -1.478 -13.004 614 HE3 LYS 77 3HE LYS 77 -12.106 -2.963 -12.814 615 HZ1 LYS 77 1HZ LYS 77 -14.019 -1.736 -12.307 616 HZ2 LYS 77 2HZ LYS 77 -13.448 -1.041 -13.643 617 HZ3 LYS 77 3HZ LYS 77 -13.256 -0.266 -12.197 Start of MODEL 10 1 H2 SER 1 2H SER 1 5.708 -9.191 15.459 2 H3 SER 1 3H SER 1 6.147 -8.426 14.085 3 HA SER 1 HA SER 1 5.249 -7.298 16.640 4 HB2 SER 1 2HB SER 1 7.310 -5.910 16.461 5 HB3 SER 1 3HB SER 1 7.645 -7.669 16.508 6 HG SER 1 HG SER 1 8.889 -6.656 14.896 7 H HIS 2 H HIS 2 6.500 -5.852 13.693 8 HA HIS 2 HA HIS 2 3.969 -4.500 12.964 9 HB2 HIS 2 2HB HIS 2 5.568 -2.345 12.781 10 HB3 HIS 2 3HB HIS 2 4.579 -2.681 14.169 11 HD1 HIS 2 1HD HIS 2 5.784 -2.827 16.494 12 HD2 HIS 2 2HD HIS 2 8.350 -2.813 13.164 13 HE1 HIS 2 1HE HIS 2 8.157 -2.820 17.396 14 H MET 3 H MET 3 7.393 -4.047 12.198 15 HA MET 3 HA MET 3 7.327 -4.526 9.383 16 HB2 MET 3 2HB MET 3 9.595 -4.428 11.392 17 HB3 MET 3 3HB MET 3 9.811 -4.512 9.634 18 HG2 MET 3 2HG MET 3 8.256 -2.289 11.022 19 HG3 MET 3 3HG MET 3 9.949 -2.192 10.546 20 HE1 MET 3 1HE MET 3 7.453 -0.281 9.854 21 HE2 MET 3 2HE MET 3 9.132 0.116 9.348 22 HE3 MET 3 3HE MET 3 7.796 0.147 8.158 23 H THR 4 H THR 4 6.031 -6.798 10.668 24 HA THR 4 HA THR 4 7.821 -8.994 9.804 25 HB THR 4 HB THR 4 5.414 -9.180 11.585 26 HG1 THR 4 1HG THR 4 8.174 -9.037 12.216 27 HG21 THR 4 1HG2 THR 4 6.469 -11.340 12.229 28 HG22 THR 4 2HG2 THR 4 7.713 -11.079 10.984 29 HG23 THR 4 3HG2 THR 4 6.013 -11.289 10.518 30 H ALA 5 H ALA 5 4.199 -8.609 9.880 31 HA ALA 5 HA ALA 5 4.078 -10.194 7.448 32 HB1 ALA 5 1HB ALA 5 2.269 -10.198 9.173 33 HB2 ALA 5 2HB ALA 5 1.904 -8.492 8.768 34 HB3 ALA 5 3HB ALA 5 1.669 -9.763 7.553 35 H VAL 6 H VAL 6 3.725 -6.748 8.087 36 HA VAL 6 HA VAL 6 3.159 -5.843 5.513 37 HB VAL 6 HB VAL 6 3.028 -4.748 7.844 38 HG11 VAL 6 1HG1 VAL 6 5.468 -4.719 8.265 39 HG12 VAL 6 2HG1 VAL 6 5.663 -3.519 6.965 40 HG13 VAL 6 3HG1 VAL 6 4.705 -3.124 8.409 41 HG21 VAL 6 1HG2 VAL 6 3.676 -3.125 5.356 42 HG22 VAL 6 2HG2 VAL 6 2.096 -3.833 5.770 43 HG23 VAL 6 3HG2 VAL 6 2.770 -2.556 6.781 44 H GLN 7 H GLN 7 6.174 -6.777 6.905 45 HA GLN 7 HA GLN 7 7.846 -5.311 5.169 46 HB2 GLN 7 2HB GLN 7 8.538 -6.202 7.362 47 HB3 GLN 7 3HB GLN 7 8.301 -7.866 6.811 48 HG2 GLN 7 2HG GLN 7 10.646 -7.459 6.836 49 HG3 GLN 7 3HG GLN 7 10.191 -7.476 5.146 50 HE21 GLN 7 1HE2 GLN 7 9.476 -5.153 4.315 51 HE22 GLN 7 2HE2 GLN 7 10.199 -3.805 5.109 52 H ASP 8 H ASP 8 7.037 -8.561 5.279 53 HA ASP 8 HA ASP 8 7.902 -9.747 2.852 54 HB2 ASP 8 2HB ASP 8 7.212 -11.156 4.657 55 HB3 ASP 8 3HB ASP 8 5.595 -10.423 4.718 56 H PHE 9 H PHE 9 4.522 -8.504 3.567 57 HA PHE 9 HA PHE 9 3.621 -8.634 0.890 58 HB2 PHE 9 2HB PHE 9 2.122 -8.047 2.870 59 HB3 PHE 9 3HB PHE 9 3.033 -6.552 3.040 60 HD1 PHE 9 1HD PHE 9 2.704 -4.645 1.624 61 HD2 PHE 9 2HD PHE 9 0.775 -8.382 0.717 62 HE1 PHE 9 1HE PHE 9 1.328 -3.504 -0.104 63 HE2 PHE 9 2HE PHE 9 -0.574 -7.243 -1.051 64 HZ PHE 9 HZ PHE 9 -0.293 -4.807 -1.461 65 H VAL 10 H VAL 10 5.266 -5.917 2.600 66 HA VAL 10 HA VAL 10 5.429 -4.291 0.353 67 HB VAL 10 HB VAL 10 7.132 -4.363 2.799 68 HG11 VAL 10 1HG1 VAL 10 8.780 -3.531 1.282 69 HG12 VAL 10 2HG1 VAL 10 7.600 -2.498 0.429 70 HG13 VAL 10 3HG1 VAL 10 8.096 -2.134 2.100 71 HG21 VAL 10 1HG2 VAL 10 4.673 -3.494 2.495 72 HG22 VAL 10 2HG2 VAL 10 5.833 -2.372 3.240 73 HG23 VAL 10 3HG2 VAL 10 5.377 -2.218 1.518 74 H VAL 11 H VAL 11 8.141 -6.539 1.233 75 HA VAL 11 HA VAL 11 9.745 -6.033 -1.060 76 HB VAL 11 HB VAL 11 10.715 -8.188 -0.797 77 HG11 VAL 11 1HG1 VAL 11 11.856 -7.610 1.328 78 HG12 VAL 11 2HG1 VAL 11 11.616 -6.158 0.337 79 HG13 VAL 11 3HG1 VAL 11 10.552 -6.468 1.726 80 HG21 VAL 11 1HG2 VAL 11 8.784 -8.313 1.410 81 HG22 VAL 11 2HG2 VAL 11 8.862 -9.353 -0.013 82 HG23 VAL 11 3HG2 VAL 11 10.160 -9.446 1.235 83 H ASP 12 H ASP 12 6.874 -8.107 -0.688 84 HA ASP 12 HA ASP 12 7.061 -9.619 -3.102 85 HB2 ASP 12 2HB ASP 12 5.480 -10.091 -1.252 86 HB3 ASP 12 3HB ASP 12 4.561 -8.660 -1.726 87 H ILE 13 H ILE 13 5.472 -6.475 -2.566 88 HA ILE 13 HA ILE 13 4.773 -5.863 -5.463 89 HB ILE 13 HB ILE 13 4.566 -4.294 -2.949 90 HG12 ILE 13 2HG1 ILE 13 2.104 -4.440 -3.649 91 HG13 ILE 13 3HG1 ILE 13 2.554 -5.705 -4.803 92 HG21 ILE 13 1HG2 ILE 13 4.991 -2.794 -4.844 93 HG22 ILE 13 2HG2 ILE 13 3.929 -3.744 -5.915 94 HG23 ILE 13 3HG2 ILE 13 3.268 -2.813 -4.529 95 HD11 ILE 13 1HD1 ILE 13 2.887 -5.792 -1.765 96 HD12 ILE 13 2HD1 ILE 13 1.569 -6.547 -2.716 97 HD13 ILE 13 3HD1 ILE 13 3.193 -7.144 -2.899 98 H LEU 14 H LEU 14 7.507 -5.471 -3.288 99 HA LEU 14 HA LEU 14 8.784 -3.535 -4.908 100 HB2 LEU 14 2HB LEU 14 8.965 -4.944 -2.334 101 HB3 LEU 14 3HB LEU 14 10.509 -4.781 -2.973 102 HG LEU 14 HG LEU 14 8.760 -2.467 -2.319 103 HD11 LEU 14 1HD1 LEU 14 11.495 -3.393 -1.301 104 HD12 LEU 14 2HD1 LEU 14 9.971 -3.870 -0.534 105 HD13 LEU 14 3HD1 LEU 14 10.432 -2.139 -0.598 106 HD21 LEU 14 1HD2 LEU 14 9.938 -1.874 -4.356 107 HD22 LEU 14 2HD2 LEU 14 11.413 -2.692 -3.821 108 HD23 LEU 14 3HD2 LEU 14 10.877 -1.172 -3.024 109 H LEU 15 H LEU 15 10.016 -6.752 -4.006 110 HA LEU 15 HA LEU 15 12.189 -6.674 -6.007 111 HB2 LEU 15 2HB LEU 15 11.434 -8.555 -3.719 112 HB3 LEU 15 3HB LEU 15 12.672 -8.973 -4.863 113 HG LEU 15 HG LEU 15 13.629 -8.215 -2.791 114 HD11 LEU 15 1HD1 LEU 15 14.896 -7.980 -4.895 115 HD12 LEU 15 2HD1 LEU 15 15.336 -6.733 -3.715 116 HD13 LEU 15 3HD1 LEU 15 14.284 -6.322 -5.086 117 HD21 LEU 15 1HD2 LEU 15 11.935 -6.487 -2.175 118 HD22 LEU 15 2HD2 LEU 15 12.650 -5.409 -3.405 119 HD23 LEU 15 3HD2 LEU 15 13.614 -5.946 -2.014 120 H ASN 16 H ASN 16 9.212 -8.419 -5.271 121 HA ASN 16 HA ASN 16 9.643 -10.254 -7.540 122 HB2 ASN 16 2HB ASN 16 7.587 -10.242 -5.302 123 HB3 ASN 16 3HB ASN 16 7.618 -11.396 -6.615 124 HD21 ASN 16 1HD2 ASN 16 9.457 -10.271 -3.712 125 HD22 ASN 16 2HD2 ASN 16 10.360 -11.777 -3.570 126 H GLY 17 H GLY 17 7.831 -7.361 -6.674 127 HA2 GLY 17 2HA GLY 17 6.579 -5.972 -7.966 128 HA3 GLY 17 3HA GLY 17 6.597 -7.062 -9.305 129 H ALA 18 H ALA 18 4.509 -5.536 -8.433 130 HA ALA 18 HA ALA 18 2.395 -7.228 -7.322 131 HB1 ALA 18 1HB ALA 18 2.403 -4.539 -8.775 132 HB2 ALA 18 2HB ALA 18 0.999 -5.223 -7.969 133 HB3 ALA 18 3HB ALA 18 2.406 -4.773 -7.002 134 H ARG 19 H ARG 19 0.373 -7.227 -8.552 135 HA ARG 19 HA ARG 19 -0.018 -7.785 -11.380 136 HB2 ARG 19 2HB ARG 19 -1.906 -6.114 -9.853 137 HB3 ARG 19 3HB ARG 19 -2.221 -7.348 -11.035 138 HG2 ARG 19 2HG ARG 19 -1.687 -7.607 -8.111 139 HG3 ARG 19 3HG ARG 19 -3.153 -7.944 -8.923 140 HD2 ARG 19 2HD ARG 19 -0.833 -9.717 -9.637 141 HD3 ARG 19 3HD ARG 19 -1.471 -9.807 -7.999 142 HE ARG 19 HE ARG 19 -3.490 -10.680 -8.673 143 HH11 ARG 19 1HH1 ARG 19 -2.767 -10.899 -12.620 144 HH12 ARG 19 2HH1 ARG 19 -1.460 -10.368 -11.584 145 HH21 ARG 19 1HH2 ARG 19 -4.703 -11.768 -11.611 146 HH22 ARG 19 2HH2 ARG 19 -4.914 -11.533 -9.866 147 H ASP 20 H ASP 20 -1.612 -5.688 -11.952 148 HA ASP 20 HA ASP 20 0.085 -4.478 -13.812 149 HB2 ASP 20 2HB ASP 20 -2.777 -4.631 -12.957 150 HB3 ASP 20 3HB ASP 20 -2.363 -3.084 -13.555 151 H TRP 21 H TRP 21 0.201 -3.498 -10.588 152 HA TRP 21 HA TRP 21 0.279 -0.659 -10.914 153 HB2 TRP 21 2HB TRP 21 1.517 -2.288 -8.585 154 HB3 TRP 21 3HB TRP 21 1.050 -0.651 -8.680 155 HD1 TRP 21 1HD TRP 21 -1.229 -3.675 -9.651 156 HE1 TRP 21 1HE TRP 21 -3.476 -3.287 -8.643 157 HE3 TRP 21 3HE TRP 21 -0.164 0.516 -6.876 158 HZ2 TRP 21 2HZ TRP 21 -4.776 -1.264 -7.142 159 HZ3 TRP 21 3HZ TRP 21 -2.051 1.841 -5.945 160 HH2 TRP 21 2HH TRP 21 -4.353 0.920 -6.018 161 H ASP 22 H ASP 22 2.050 0.627 -10.501 162 HA ASP 22 HA ASP 22 4.576 -0.233 -11.756 163 HB2 ASP 22 2HB ASP 22 3.497 1.409 -13.119 164 HB3 ASP 22 3HB ASP 22 3.242 2.465 -11.712 165 H VAL 23 H VAL 23 6.602 0.582 -10.436 166 HA VAL 23 HA VAL 23 5.839 0.212 -7.795 167 HB VAL 23 HB VAL 23 7.756 -1.656 -9.475 168 HG11 VAL 23 1HG1 VAL 23 7.702 -1.289 -6.175 169 HG12 VAL 23 2HG1 VAL 23 8.480 -2.575 -7.172 170 HG13 VAL 23 3HG1 VAL 23 8.999 -1.042 -7.349 171 HG21 VAL 23 1HG2 VAL 23 6.288 -3.322 -8.323 172 HG22 VAL 23 2HG2 VAL 23 5.515 -2.223 -7.129 173 HG23 VAL 23 3HG2 VAL 23 5.228 -2.150 -8.867 174 H LEU 24 H LEU 24 6.319 1.689 -6.766 175 HA LEU 24 HA LEU 24 8.524 3.470 -7.551 176 HB2 LEU 24 2HB LEU 24 5.487 3.872 -7.173 177 HB3 LEU 24 3HB LEU 24 6.892 5.181 -7.178 178 HG LEU 24 HG LEU 24 6.053 3.698 -9.483 179 HD11 LEU 24 1HD1 LEU 24 6.558 6.433 -8.860 180 HD12 LEU 24 2HD1 LEU 24 4.923 5.761 -8.754 181 HD13 LEU 24 3HD1 LEU 24 5.728 5.929 -10.424 182 HD21 LEU 24 1HD2 LEU 24 7.791 4.830 -10.867 183 HD22 LEU 24 2HD2 LEU 24 8.453 3.519 -9.789 184 HD23 LEU 24 3HD2 LEU 24 8.495 5.202 -9.289 185 H GLN 25 H GLN 25 9.417 4.705 -5.982 186 HA GLN 25 HA GLN 25 8.628 4.029 -3.157 187 HB2 GLN 25 2HB GLN 25 11.377 4.653 -4.093 188 HB3 GLN 25 3HB GLN 25 10.868 4.466 -2.414 189 HG2 GLN 25 2HG GLN 25 10.710 2.298 -4.677 190 HG3 GLN 25 3HG GLN 25 11.934 2.423 -3.540 191 HE21 GLN 25 1HE2 GLN 25 8.633 1.362 -4.046 192 HE22 GLN 25 2HE2 GLN 25 8.633 0.399 -2.597 193 H THR 26 H THR 26 7.053 5.719 -3.193 194 HA THR 26 HA THR 26 8.302 8.159 -2.412 195 HB THR 26 HB THR 26 7.442 8.588 -4.617 196 HG1 THR 26 1HG THR 26 6.432 10.372 -4.097 197 HG21 THR 26 1HG2 THR 26 5.064 8.477 -5.194 198 HG22 THR 26 2HG2 THR 26 4.639 7.712 -3.616 199 HG23 THR 26 3HG2 THR 26 5.666 6.898 -4.800 200 H THR 27 H THR 27 6.014 9.335 -1.268 201 HA THR 27 HA THR 27 4.987 7.475 0.707 202 HB THR 27 HB THR 27 5.529 8.880 2.643 203 HG1 THR 27 1HG THR 27 6.082 10.741 1.119 204 HG21 THR 27 1HG2 THR 27 7.014 6.931 2.046 205 HG22 THR 27 2HG2 THR 27 7.872 8.187 2.907 206 HG23 THR 27 3HG2 THR 27 8.106 7.972 1.123 207 H CYS 28 H CYS 28 2.920 8.426 1.322 208 HA CYS 28 HA CYS 28 2.160 11.129 0.100 209 HB2 CYS 28 2HB CYS 28 1.582 9.103 -1.107 210 HB3 CYS 28 3HB CYS 28 0.682 8.564 0.205 211 HG CYS 28 HG CYS 28 0.416 11.338 -1.662 212 H THR 29 H THR 29 1.508 12.342 1.301 213 HA THR 29 HA THR 29 0.723 11.802 3.815 214 HB THR 29 HB THR 29 0.770 14.674 2.657 215 HG1 THR 29 1HG THR 29 2.781 14.476 2.416 216 HG21 THR 29 1HG2 THR 29 1.373 13.672 5.471 217 HG22 THR 29 2HG2 THR 29 -0.106 14.540 4.968 218 HG23 THR 29 3HG2 THR 29 1.464 15.359 4.925 219 H VAL 30 H VAL 30 -1.238 11.570 4.545 220 HA VAL 30 HA VAL 30 -3.458 13.232 3.777 221 HB VAL 30 HB VAL 30 -3.370 10.282 3.083 222 HG11 VAL 30 1HG1 VAL 30 -5.896 12.008 3.364 223 HG12 VAL 30 2HG1 VAL 30 -5.835 10.427 2.545 224 HG13 VAL 30 3HG1 VAL 30 -5.512 10.521 4.273 225 HG21 VAL 30 1HG2 VAL 30 -4.389 11.099 0.930 226 HG22 VAL 30 2HG2 VAL 30 -4.160 12.763 1.492 227 HG23 VAL 30 3HG2 VAL 30 -2.765 11.680 1.221 228 H ASP 31 H ASP 31 -5.313 12.922 5.460 229 HA ASP 31 HA ASP 31 -6.140 12.577 7.545 230 HB2 ASP 31 2HB ASP 31 -4.761 10.048 6.906 231 HB3 ASP 31 3HB ASP 31 -4.747 10.332 8.608 232 H ARG 32 H ARG 32 -3.558 13.973 7.103 233 HA ARG 32 HA ARG 32 -2.066 15.284 8.247 234 HB2 ARG 32 2HB ARG 32 -3.354 14.443 10.878 235 HB3 ARG 32 3HB ARG 32 -2.236 15.772 10.623 236 HG2 ARG 32 2HG ARG 32 -3.886 16.980 9.265 237 HG3 ARG 32 3HG ARG 32 -5.035 15.636 9.393 238 HD2 ARG 32 2HD ARG 32 -5.158 15.920 11.833 239 HD3 ARG 32 3HD ARG 32 -4.002 17.258 11.750 240 HE ARG 32 HE ARG 32 -6.220 17.849 10.027 241 HH11 ARG 32 1HH1 ARG 32 -6.837 18.784 13.892 242 HH12 ARG 32 2HH1 ARG 32 -5.660 17.567 13.562 243 HH21 ARG 32 1HH2 ARG 32 -8.121 19.603 12.335 244 HH22 ARG 32 2HH2 ARG 32 -7.828 19.299 10.641 245 H LYS 33 H LYS 33 -1.720 12.381 7.579 246 HA LYS 33 HA LYS 33 0.797 11.811 9.061 247 HB2 LYS 33 2HB LYS 33 -1.056 10.452 9.986 248 HB3 LYS 33 3HB LYS 33 -1.443 9.861 8.361 249 HG2 LYS 33 2HG LYS 33 0.399 8.571 8.179 250 HG3 LYS 33 3HG LYS 33 1.363 9.528 9.334 251 HD2 LYS 33 2HD LYS 33 1.033 7.812 10.754 252 HD3 LYS 33 3HD LYS 33 -0.569 8.531 11.013 253 HE2 LYS 33 2HE LYS 33 -1.312 7.093 8.991 254 HE3 LYS 33 3HE LYS 33 0.254 6.284 9.138 255 HZ1 LYS 33 1HZ LYS 33 -1.918 6.296 11.133 256 HZ2 LYS 33 2HZ LYS 33 -0.360 5.769 11.473 257 HZ3 LYS 33 3HZ LYS 33 -1.254 5.033 10.334 258 H VAL 34 H VAL 34 2.392 10.560 7.596 259 HA VAL 34 HA VAL 34 1.538 10.423 4.799 260 HB VAL 34 HB VAL 34 3.789 11.717 5.683 261 HG11 VAL 34 1HG1 VAL 34 4.652 8.999 4.782 262 HG12 VAL 34 2HG1 VAL 34 5.691 10.401 5.086 263 HG13 VAL 34 3HG1 VAL 34 4.854 9.612 6.484 264 HG21 VAL 34 1HG2 VAL 34 2.818 11.621 3.533 265 HG22 VAL 34 2HG2 VAL 34 4.567 11.525 3.420 266 HG23 VAL 34 3HG2 VAL 34 3.567 10.068 3.184 267 H TYR 35 H TYR 35 1.748 8.622 3.763 268 HA TYR 35 HA TYR 35 2.299 6.062 5.284 269 HB2 TYR 35 2HB TYR 35 0.615 6.755 2.841 270 HB3 TYR 35 3HB TYR 35 0.740 5.147 3.598 271 HD1 TYR 35 1HD TYR 35 -0.839 8.433 3.750 272 HD2 TYR 35 2HD TYR 35 -0.039 4.738 5.870 273 HE1 TYR 35 1HE TYR 35 -2.603 9.010 5.416 274 HE2 TYR 35 2HE TYR 35 -1.839 5.325 7.531 275 HH TYR 35 HH TYR 35 -3.653 8.433 7.368 276 H LYS 36 H LYS 36 3.703 4.540 4.209 277 HA LYS 36 HA LYS 36 5.222 5.821 1.990 278 HB2 LYS 36 2HB LYS 36 6.069 3.187 2.891 279 HB3 LYS 36 3HB LYS 36 6.963 4.666 2.608 280 HG2 LYS 36 2HG LYS 36 6.425 5.593 4.743 281 HG3 LYS 36 3HG LYS 36 5.437 4.177 5.171 282 HD2 LYS 36 2HD LYS 36 7.548 3.905 6.241 283 HD3 LYS 36 3HD LYS 36 7.387 2.705 5.024 284 HE2 LYS 36 2HE LYS 36 9.236 3.406 3.910 285 HE3 LYS 36 3HE LYS 36 8.617 5.052 3.860 286 HZ1 LYS 36 1HZ LYS 36 9.412 5.203 6.268 287 HZ2 LYS 36 2HZ LYS 36 10.612 5.105 5.142 288 HZ3 LYS 36 3HZ LYS 36 10.238 3.790 5.985 289 H THR 37 H THR 37 5.030 5.311 -0.057 290 HA THR 37 HA THR 37 2.976 3.430 -0.890 291 HB THR 37 HB THR 37 3.070 4.327 -3.045 292 HG1 THR 37 1HG THR 37 5.627 4.445 -2.353 293 HG21 THR 37 1HG2 THR 37 2.896 6.713 -2.787 294 HG22 THR 37 2HG2 THR 37 3.912 6.777 -1.361 295 HG23 THR 37 3HG2 THR 37 2.291 6.063 -1.302 296 H ILE 38 H ILE 38 3.330 1.714 -2.317 297 HA ILE 38 HA ILE 38 6.214 0.859 -2.836 298 HB ILE 38 HB ILE 38 4.022 -1.052 -3.320 299 HG12 ILE 38 2HG1 ILE 38 4.888 -0.314 -0.362 300 HG13 ILE 38 3HG1 ILE 38 3.259 -0.116 -1.030 301 HG21 ILE 38 1HG2 ILE 38 6.515 -1.424 -3.583 302 HG22 ILE 38 2HG2 ILE 38 6.752 -1.168 -1.839 303 HG23 ILE 38 3HG2 ILE 38 5.872 -2.577 -2.434 304 HD11 ILE 38 1HD1 ILE 38 4.562 -2.796 -0.700 305 HD12 ILE 38 2HD1 ILE 38 3.274 -2.103 0.302 306 HD13 ILE 38 3HD1 ILE 38 2.979 -2.510 -1.407 307 H CYS 39 H CYS 39 2.886 1.091 -4.157 308 HA CYS 39 HA CYS 39 4.092 1.265 -6.772 309 HB2 CYS 39 2HB CYS 39 2.998 -0.990 -7.413 310 HB3 CYS 39 3HB CYS 39 3.671 -0.912 -6.282 311 HG CYS 39 HG CYS 39 1.895 -0.808 -4.352 312 H LYS 40 H LYS 40 2.740 2.198 -8.241 313 HA LYS 40 HA LYS 40 0.190 2.981 -7.173 314 HB2 LYS 40 2HB LYS 40 -0.092 4.876 -8.576 315 HB3 LYS 40 3HB LYS 40 1.194 5.293 -7.695 316 HG2 LYS 40 2HG LYS 40 2.721 5.314 -9.237 317 HG3 LYS 40 3HG LYS 40 2.055 3.968 -10.172 318 HD2 LYS 40 2HD LYS 40 1.107 5.471 -11.608 319 HD3 LYS 40 3HD LYS 40 0.059 5.859 -10.223 320 HE2 LYS 40 2HE LYS 40 0.750 7.882 -11.095 321 HE3 LYS 40 3HE LYS 40 1.339 7.569 -9.452 322 HZ1 LYS 40 1HZ LYS 40 2.888 7.428 -12.008 323 HZ2 LYS 40 2HZ LYS 40 3.503 6.894 -10.595 324 HZ3 LYS 40 3HZ LYS 40 3.130 8.513 -10.811 325 H ARG 41 H ARG 41 -1.615 3.090 -8.430 326 HA ARG 41 HA ARG 41 -1.284 2.144 -11.163 327 HB2 ARG 41 2HB ARG 41 -1.867 0.154 -9.792 328 HB3 ARG 41 3HB ARG 41 -3.411 0.948 -9.388 329 HG2 ARG 41 2HG ARG 41 -3.440 1.150 -12.049 330 HG3 ARG 41 3HG ARG 41 -2.263 -0.066 -12.030 331 HD2 ARG 41 2HD ARG 41 -3.779 -1.342 -10.372 332 HD3 ARG 41 3HD ARG 41 -5.044 -0.174 -10.721 333 HE ARG 41 HE ARG 41 -4.113 -1.357 -13.196 334 HH11 ARG 41 1HH1 ARG 41 -7.166 -3.156 -11.241 335 HH12 ARG 41 2HH1 ARG 41 -6.264 -1.967 -10.329 336 HH21 ARG 41 1HH2 ARG 41 -6.841 -3.556 -13.285 337 HH22 ARG 41 2HH2 ARG 41 -5.418 -2.989 -14.160 338 H GLY 42 H GLY 42 -2.147 3.591 -12.245 339 HA2 GLY 42 2HA GLY 42 -3.473 5.322 -12.958 340 HA3 GLY 42 3HA GLY 42 -4.752 4.764 -11.878 341 H ASN 43 H ASN 43 -5.399 6.356 -10.626 342 HA ASN 43 HA ASN 43 -3.554 8.504 -9.705 343 HB2 ASN 43 2HB ASN 43 -5.432 9.686 -9.058 344 HB3 ASN 43 3HB ASN 43 -5.929 8.871 -10.548 345 HD21 ASN 43 1HD2 ASN 43 -6.256 6.318 -8.459 346 HD22 ASN 43 2HD2 ASN 43 -7.874 6.707 -7.879 347 H THR 44 H THR 44 -3.787 5.469 -8.716 348 HA THR 44 HA THR 44 -4.060 6.075 -5.746 349 HB THR 44 HB THR 44 -5.971 4.912 -6.518 350 HG1 THR 44 1HG THR 44 -5.870 3.363 -4.850 351 HG21 THR 44 1HG2 THR 44 -5.886 2.397 -6.811 352 HG22 THR 44 2HG2 THR 44 -4.233 2.682 -7.434 353 HG23 THR 44 3HG2 THR 44 -5.663 3.439 -8.176 354 H TYR 45 H TYR 45 -2.914 4.537 -4.277 355 HA TYR 45 HA TYR 45 -0.176 4.061 -5.191 356 HB2 TYR 45 2HB TYR 45 -0.855 6.432 -3.551 357 HB3 TYR 45 3HB TYR 45 0.694 5.660 -3.394 358 HD1 TYR 45 1HD TYR 45 2.478 6.232 -4.904 359 HD2 TYR 45 2HD TYR 45 -1.647 7.194 -5.965 360 HE1 TYR 45 1HE TYR 45 3.219 7.833 -6.520 361 HE2 TYR 45 2HE TYR 45 -0.869 8.744 -7.595 362 HH TYR 45 HH TYR 45 0.971 10.092 -8.285 363 H LEU 46 H LEU 46 -0.047 2.206 -4.170 364 HA LEU 46 HA LEU 46 -1.653 1.786 -1.690 365 HB2 LEU 46 2HB LEU 46 -0.312 0.088 -3.823 366 HB3 LEU 46 3HB LEU 46 -0.626 -0.421 -2.243 367 HG LEU 46 HG LEU 46 -2.301 -0.681 -4.232 368 HD11 LEU 46 1HD1 LEU 46 -3.950 -1.563 -2.480 369 HD12 LEU 46 2HD1 LEU 46 -2.987 -0.669 -1.249 370 HD13 LEU 46 3HD1 LEU 46 -2.285 -2.020 -2.088 371 HD21 LEU 46 1HD2 LEU 46 -4.403 0.602 -3.660 372 HD22 LEU 46 2HD2 LEU 46 -3.102 1.748 -3.961 373 HD23 LEU 46 3HD2 LEU 46 -3.543 1.321 -2.307 374 H CYS 47 H CYS 47 -0.871 1.821 0.153 375 HA CYS 47 HA CYS 47 2.055 2.184 0.515 376 HB2 CYS 47 2HB CYS 47 -0.111 3.751 2.037 377 HB3 CYS 47 3HB CYS 47 1.612 4.131 1.866 378 HG CYS 47 HG CYS 47 -0.675 4.138 -0.562 379 H PHE 48 H PHE 48 2.630 2.273 2.859 380 HA PHE 48 HA PHE 48 0.985 0.466 4.515 381 HB2 PHE 48 2HB PHE 48 2.773 -0.920 5.026 382 HB3 PHE 48 3HB PHE 48 2.734 -0.797 3.266 383 HD1 PHE 48 1HD PHE 48 4.727 -0.512 6.174 384 HD2 PHE 48 2HD PHE 48 4.387 0.523 2.037 385 HE1 PHE 48 1HE PHE 48 7.148 -0.460 6.038 386 HE2 PHE 48 2HE PHE 48 6.833 0.746 1.862 387 HZ PHE 48 HZ PHE 48 8.297 0.198 3.865 388 H ASP 49 H ASP 49 1.420 0.304 6.625 389 HA ASP 49 HA ASP 49 2.907 2.608 7.957 390 HB2 ASP 49 2HB ASP 49 0.465 1.154 8.886 391 HB3 ASP 49 3HB ASP 49 1.390 2.035 9.990 392 H ASP 50 H ASP 50 2.909 1.548 10.408 393 HA ASP 50 HA ASP 50 4.208 -1.047 10.424 394 HB2 ASP 50 2HB ASP 50 3.063 0.763 12.606 395 HB3 ASP 50 3HB ASP 50 3.671 -0.833 13.006 396 H THR 51 H THR 51 1.019 0.075 10.303 397 HA THR 51 HA THR 51 -0.075 -1.930 12.159 398 HB THR 51 HB THR 51 -2.174 -0.653 11.816 399 HG1 THR 51 1HG THR 51 -1.425 1.485 10.577 400 HG21 THR 51 1HG2 THR 51 -0.566 0.141 13.542 401 HG22 THR 51 2HG2 THR 51 -1.530 1.466 12.822 402 HG23 THR 51 3HG2 THR 51 0.153 1.212 12.316 403 H ASN 52 H ASN 52 0.234 -1.701 8.616 404 HA ASN 52 HA ASN 52 -1.084 -3.498 7.529 405 HB2 ASN 52 2HB ASN 52 -3.319 -2.741 7.113 406 HB3 ASN 52 3HB ASN 52 -3.171 -3.502 8.659 407 HD21 ASN 52 1HD2 ASN 52 -3.437 -0.264 7.048 408 HD22 ASN 52 2HD2 ASN 52 -3.945 0.554 8.505 409 H LEU 53 H LEU 53 -2.706 -2.085 5.808 410 HA LEU 53 HA LEU 53 -0.746 -0.396 4.357 411 HB2 LEU 53 2HB LEU 53 -2.670 -2.619 3.512 412 HB3 LEU 53 3HB LEU 53 -1.694 -1.688 2.385 413 HG LEU 53 HG LEU 53 -0.642 -3.485 4.661 414 HD11 LEU 53 1HD1 LEU 53 0.171 -4.764 2.844 415 HD12 LEU 53 2HD1 LEU 53 -0.691 -3.731 1.696 416 HD13 LEU 53 3HD1 LEU 53 -1.613 -4.681 2.923 417 HD21 LEU 53 1HD2 LEU 53 1.578 -3.195 3.532 418 HD22 LEU 53 2HD2 LEU 53 0.942 -1.761 4.314 419 HD23 LEU 53 3HD2 LEU 53 0.859 -1.909 2.532 420 H TYR 54 H TYR 54 -1.833 0.929 2.700 421 HA TYR 54 HA TYR 54 -4.680 1.290 3.069 422 HB2 TYR 54 2HB TYR 54 -3.060 3.832 3.246 423 HB3 TYR 54 3HB TYR 54 -4.754 3.607 3.438 424 HD1 TYR 54 1HD TYR 54 -5.589 3.769 5.564 425 HD2 TYR 54 2HD TYR 54 -1.572 2.292 5.109 426 HE1 TYR 54 1HE TYR 54 -5.351 3.721 8.001 427 HE2 TYR 54 2HE TYR 54 -1.504 1.805 7.530 428 HH TYR 54 HH TYR 54 -4.038 3.073 9.751 429 H ALA 55 H ALA 55 -5.754 2.233 1.242 430 HA ALA 55 HA ALA 55 -3.951 2.849 -1.103 431 HB1 ALA 55 1HB ALA 55 -5.769 1.152 -1.559 432 HB2 ALA 55 2HB ALA 55 -6.968 2.319 -1.001 433 HB3 ALA 55 3HB ALA 55 -6.022 2.664 -2.454 434 H ILE 56 H ILE 56 -3.437 4.899 -1.364 435 HA ILE 56 HA ILE 56 -5.456 6.902 -0.462 436 HB ILE 56 HB ILE 56 -2.543 7.255 -1.044 437 HG12 ILE 56 2HG1 ILE 56 -3.203 8.579 1.337 438 HG13 ILE 56 3HG1 ILE 56 -4.363 7.283 1.372 439 HG21 ILE 56 1HG2 ILE 56 -3.812 9.164 -2.087 440 HG22 ILE 56 2HG2 ILE 56 -4.876 9.288 -0.661 441 HG23 ILE 56 3HG2 ILE 56 -3.160 9.747 -0.579 442 HD11 ILE 56 1HD1 ILE 56 -1.346 7.092 1.275 443 HD12 ILE 56 2HD1 ILE 56 -2.455 6.615 2.585 444 HD13 ILE 56 3HD1 ILE 56 -2.415 5.667 1.081 445 H THR 57 H THR 57 -6.923 6.898 -1.875 446 HA THR 57 HA THR 57 -6.302 6.903 -4.784 447 HB THR 57 HB THR 57 -9.070 6.976 -3.609 448 HG1 THR 57 1HG THR 57 -7.806 5.198 -2.724 449 HG21 THR 57 1HG2 THR 57 -7.877 5.721 -6.062 450 HG22 THR 57 2HG2 THR 57 -8.747 7.279 -6.057 451 HG23 THR 57 3HG2 THR 57 -9.619 5.793 -5.667 452 H GLY 58 H GLY 58 -5.283 8.867 -4.879 453 HA2 GLY 58 2HA GLY 58 -5.109 11.171 -5.210 454 HA3 GLY 58 3HA GLY 58 -6.877 11.299 -4.994 455 H ASP 59 H ASP 59 -7.688 11.275 -2.814 456 HA ASP 59 HA ASP 59 -5.820 11.923 -0.602 457 HB2 ASP 59 2HB ASP 59 -7.106 13.856 0.107 458 HB3 ASP 59 3HB ASP 59 -6.444 14.070 -1.474 459 H VAL 60 H VAL 60 -7.867 9.769 -1.563 460 HA VAL 60 HA VAL 60 -9.580 9.530 0.841 461 HB VAL 60 HB VAL 60 -9.486 7.950 -1.764 462 HG11 VAL 60 1HG1 VAL 60 -11.334 7.576 0.623 463 HG12 VAL 60 2HG1 VAL 60 -11.586 6.841 -0.981 464 HG13 VAL 60 3HG1 VAL 60 -10.175 6.382 -0.024 465 HG21 VAL 60 1HG2 VAL 60 -10.459 10.153 -2.101 466 HG22 VAL 60 2HG2 VAL 60 -11.716 8.919 -2.206 467 HG23 VAL 60 3HG2 VAL 60 -11.576 9.903 -0.733 468 H VAL 61 H VAL 61 -8.260 8.801 2.473 469 HA VAL 61 HA VAL 61 -6.436 6.568 1.923 470 HB VAL 61 HB VAL 61 -5.909 8.382 3.461 471 HG11 VAL 61 1HG1 VAL 61 -7.639 6.874 5.496 472 HG12 VAL 61 2HG1 VAL 61 -6.604 8.280 5.807 473 HG13 VAL 61 3HG1 VAL 61 -8.055 8.464 4.804 474 HG21 VAL 61 1HG2 VAL 61 -5.807 5.557 4.551 475 HG22 VAL 61 2HG2 VAL 61 -4.667 6.231 3.386 476 HG23 VAL 61 3HG2 VAL 61 -4.712 6.865 5.045 477 H LEU 62 H LEU 62 -7.023 4.612 1.783 478 HA LEU 62 HA LEU 62 -9.290 3.552 3.465 479 HB2 LEU 62 2HB LEU 62 -10.039 3.481 1.290 480 HB3 LEU 62 3HB LEU 62 -8.550 3.010 0.599 481 HG LEU 62 HG LEU 62 -8.776 0.719 1.370 482 HD11 LEU 62 1HD1 LEU 62 -10.438 -0.184 2.835 483 HD12 LEU 62 2HD1 LEU 62 -11.315 1.368 2.945 484 HD13 LEU 62 3HD1 LEU 62 -9.751 1.141 3.725 485 HD21 LEU 62 1HD2 LEU 62 -10.902 0.053 0.372 486 HD22 LEU 62 2HD2 LEU 62 -10.142 1.360 -0.562 487 HD23 LEU 62 3HD2 LEU 62 -11.509 1.720 0.523 488 H LYS 63 H LYS 63 -8.239 2.922 5.142 489 HA LYS 63 HA LYS 63 -6.077 1.108 5.374 490 HB2 LYS 63 2HB LYS 63 -6.412 1.847 7.323 491 HB3 LYS 63 3HB LYS 63 -8.013 2.455 7.058 492 HG2 LYS 63 2HG LYS 63 -8.948 0.503 7.862 493 HG3 LYS 63 3HG LYS 63 -7.599 -0.496 7.370 494 HD2 LYS 63 2HD LYS 63 -6.212 0.440 9.256 495 HD3 LYS 63 3HD LYS 63 -7.674 1.349 9.790 496 HE2 LYS 63 2HE LYS 63 -8.497 -1.180 8.959 497 HE3 LYS 63 3HE LYS 63 -7.070 -1.558 9.941 498 HZ1 LYS 63 1HZ LYS 63 -9.212 0.209 11.008 499 HZ2 LYS 63 2HZ LYS 63 -8.033 -0.614 11.833 500 HZ3 LYS 63 3HZ LYS 63 -9.289 -1.420 11.186 501 H PHE 64 H PHE 64 -5.733 -0.754 4.837 502 HA PHE 64 HA PHE 64 -7.863 -2.761 4.262 503 HB2 PHE 64 2HB PHE 64 -4.854 -2.853 4.249 504 HB3 PHE 64 3HB PHE 64 -5.848 -4.170 3.943 505 HD1 PHE 64 1HD PHE 64 -4.292 -1.304 2.452 506 HD2 PHE 64 2HD PHE 64 -7.715 -3.875 2.054 507 HE1 PHE 64 1HE PHE 64 -4.606 -0.527 0.139 508 HE2 PHE 64 2HE PHE 64 -8.022 -3.107 -0.251 509 HZ PHE 64 HZ PHE 64 -6.396 -1.506 -1.283 510 H ALA 65 H ALA 65 -8.553 -4.136 5.996 511 HA ALA 65 HA ALA 65 -7.546 -3.861 8.657 512 HB1 ALA 65 1HB ALA 65 -8.952 -6.331 7.642 513 HB2 ALA 65 2HB ALA 65 -9.033 -5.598 9.229 514 HB3 ALA 65 3HB ALA 65 -9.846 -4.792 7.870 515 H THR 66 H THR 66 -5.697 -5.240 6.233 516 HA THR 66 HA THR 66 -4.142 -6.909 8.033 517 HB THR 66 HB THR 66 -4.713 -8.257 5.492 518 HG1 THR 66 1HG THR 66 -6.654 -8.317 7.615 519 HG21 THR 66 1HG2 THR 66 -5.024 -10.258 6.847 520 HG22 THR 66 2HG2 THR 66 -4.835 -9.298 8.341 521 HG23 THR 66 3HG2 THR 66 -3.468 -9.455 7.193 522 H VAL 67 H VAL 67 -2.465 -7.793 6.636 523 HA VAL 67 HA VAL 67 -1.623 -5.784 4.704 524 HB VAL 67 HB VAL 67 -0.277 -8.426 5.106 525 HG11 VAL 67 1HG1 VAL 67 1.643 -6.810 4.797 526 HG12 VAL 67 2HG1 VAL 67 0.331 -6.623 3.588 527 HG13 VAL 67 3HG1 VAL 67 0.430 -5.475 4.998 528 HG21 VAL 67 1HG2 VAL 67 -0.286 -7.955 7.450 529 HG22 VAL 67 2HG2 VAL 67 1.289 -7.670 6.618 530 HG23 VAL 67 3HG2 VAL 67 0.302 -6.274 7.124 531 H SER 68 H SER 68 -2.584 -9.321 4.722 532 HA SER 68 HA SER 68 -2.097 -9.734 1.979 533 HB2 SER 68 2HB SER 68 -3.645 -11.708 2.333 534 HB3 SER 68 3HB SER 68 -2.291 -11.589 3.458 535 HG SER 68 HG SER 68 -3.955 -11.882 4.761 536 H LYS 69 H LYS 69 -4.851 -8.091 3.474 537 HA LYS 69 HA LYS 69 -6.674 -8.351 1.370 538 HB2 LYS 69 2HB LYS 69 -6.216 -5.755 2.803 539 HB3 LYS 69 3HB LYS 69 -7.724 -6.409 2.168 540 HG2 LYS 69 2HG LYS 69 -6.897 -8.234 4.148 541 HG3 LYS 69 3HG LYS 69 -6.325 -6.654 4.729 542 HD2 LYS 69 2HD LYS 69 -8.450 -6.605 5.607 543 HD3 LYS 69 3HD LYS 69 -8.642 -5.785 4.030 544 HE2 LYS 69 2HE LYS 69 -9.022 -8.248 3.162 545 HE3 LYS 69 3HE LYS 69 -9.059 -8.749 4.798 546 HZ1 LYS 69 1HZ LYS 69 -11.135 -7.761 5.176 547 HZ2 LYS 69 2HZ LYS 69 -11.311 -8.295 3.663 548 HZ3 LYS 69 3HZ LYS 69 -11.050 -6.692 3.890 549 H ALA 70 H ALA 70 -4.097 -5.904 1.700 550 HA ALA 70 HA ALA 70 -4.847 -4.399 -0.540 551 HB1 ALA 70 1HB ALA 70 -3.116 -3.711 1.016 552 HB2 ALA 70 2HB ALA 70 -2.097 -5.084 0.524 553 HB3 ALA 70 3HB ALA 70 -2.414 -3.760 -0.616 554 H ARG 71 H ARG 71 -3.150 -7.465 -0.486 555 HA ARG 71 HA ARG 71 -2.245 -7.563 -3.185 556 HB2 ARG 71 2HB ARG 71 -1.733 -9.013 -0.970 557 HB3 ARG 71 3HB ARG 71 -3.018 -10.013 -1.616 558 HG2 ARG 71 2HG ARG 71 -1.677 -10.784 -3.347 559 HG3 ARG 71 3HG ARG 71 -0.964 -9.206 -3.636 560 HD2 ARG 71 2HD ARG 71 0.773 -10.557 -2.940 561 HD3 ARG 71 3HD ARG 71 0.457 -9.481 -1.529 562 HE ARG 71 HE ARG 71 -1.007 -11.857 -1.122 563 HH11 ARG 71 1HH1 ARG 71 2.957 -12.014 -0.410 564 HH12 ARG 71 2HH1 ARG 71 2.397 -10.967 -1.691 565 HH21 ARG 71 1HH2 ARG 71 1.717 -13.323 0.607 566 HH22 ARG 71 2HH2 ARG 71 -0.036 -13.363 0.471 567 H ALA 72 H ALA 72 -5.315 -8.505 -1.667 568 HA ALA 72 HA ALA 72 -6.432 -9.654 -4.133 569 HB1 ALA 72 1HB ALA 72 -8.329 -10.093 -2.634 570 HB2 ALA 72 2HB ALA 72 -6.815 -10.580 -1.829 571 HB3 ALA 72 3HB ALA 72 -7.614 -9.060 -1.370 572 H TYR 73 H TYR 73 -6.056 -6.542 -2.792 573 HA TYR 73 HA TYR 73 -8.295 -5.212 -4.278 574 HB2 TYR 73 2HB TYR 73 -7.977 -4.468 -2.104 575 HB3 TYR 73 3HB TYR 73 -6.236 -4.380 -2.292 576 HD1 TYR 73 1HD TYR 73 -5.247 -2.902 -4.073 577 HD2 TYR 73 2HD TYR 73 -9.287 -2.492 -2.626 578 HE1 TYR 73 1HE TYR 73 -5.316 -0.770 -5.086 579 HE2 TYR 73 2HE TYR 73 -9.306 -0.115 -3.476 580 HH TYR 73 HH TYR 73 -7.256 0.866 -5.852 581 H LEU 74 H LEU 74 -4.788 -5.735 -4.409 582 HA LEU 74 HA LEU 74 -4.047 -3.941 -6.391 583 HB2 LEU 74 2HB LEU 74 -3.206 -6.584 -5.182 584 HB3 LEU 74 3HB LEU 74 -2.406 -6.121 -6.597 585 HG LEU 74 HG LEU 74 -1.599 -5.454 -4.056 586 HD11 LEU 74 1HD1 LEU 74 -1.409 -3.848 -6.548 587 HD12 LEU 74 2HD1 LEU 74 -0.435 -5.337 -6.149 588 HD13 LEU 74 3HD1 LEU 74 -0.184 -3.838 -5.203 589 HD21 LEU 74 1HD2 LEU 74 -3.319 -3.627 -3.727 590 HD22 LEU 74 2HD2 LEU 74 -2.722 -2.871 -5.250 591 HD23 LEU 74 3HD2 LEU 74 -1.645 -3.035 -3.875 592 H GLU 75 H GLU 75 -5.701 -6.941 -6.780 593 HA GLU 75 HA GLU 75 -5.316 -6.958 -9.700 594 HB2 GLU 75 2HB GLU 75 -6.787 -9.136 -9.352 595 HB3 GLU 75 3HB GLU 75 -5.057 -9.073 -9.111 596 HG2 GLU 75 2HG GLU 75 -5.378 -8.827 -6.646 597 HG3 GLU 75 3HG GLU 75 -7.119 -8.933 -6.878 598 H THR 76 H THR 76 -7.250 -5.285 -7.703 599 HA THR 76 HA THR 76 -9.423 -4.911 -9.602 600 HB THR 76 HB THR 76 -10.024 -7.028 -8.433 601 HG1 THR 76 1HG THR 76 -11.939 -6.386 -9.030 602 HG21 THR 76 1HG2 THR 76 -10.780 -7.168 -6.269 603 HG22 THR 76 2HG2 THR 76 -10.916 -5.395 -6.099 604 HG23 THR 76 3HG2 THR 76 -9.331 -6.139 -6.158 605 H LYS 77 H LYS 77 -9.200 -3.020 -9.655 606 HA LYS 77 HA LYS 77 -9.187 -0.780 -9.646 607 HB2 LYS 77 2HB LYS 77 -10.155 -1.248 -6.890 608 HB3 LYS 77 3HB LYS 77 -10.043 0.379 -7.545 609 HG2 LYS 77 2HG LYS 77 -12.264 -0.042 -7.816 610 HG3 LYS 77 3HG LYS 77 -11.601 -0.419 -9.407 611 HD2 LYS 77 2HD LYS 77 -13.301 -2.028 -8.806 612 HD3 LYS 77 3HD LYS 77 -11.750 -2.844 -8.855 613 HE2 LYS 77 2HE LYS 77 -11.601 -2.661 -6.347 614 HE3 LYS 77 3HE LYS 77 -13.197 -1.889 -6.335 615 HZ1 LYS 77 1HZ LYS 77 -14.079 -3.973 -7.347 616 HZ2 LYS 77 2HZ LYS 77 -13.372 -4.298 -5.903 617 HZ3 LYS 77 3HZ LYS 77 -12.581 -4.626 -7.299 Start of MODEL 11 1 H2 SER 1 2H SER 1 4.422 -7.448 17.199 2 H3 SER 1 3H SER 1 3.803 -8.968 17.318 3 HA SER 1 HA SER 1 4.513 -8.720 15.072 4 HB2 SER 1 2HB SER 1 1.490 -8.484 15.334 5 HB3 SER 1 3HB SER 1 2.372 -9.202 13.963 6 HG SER 1 HG SER 1 1.620 -10.703 15.737 7 H HIS 2 H HIS 2 4.990 -7.185 13.312 8 HA HIS 2 HA HIS 2 3.135 -5.076 12.700 9 HB2 HIS 2 2HB HIS 2 4.368 -3.139 13.303 10 HB3 HIS 2 3HB HIS 2 4.093 -3.994 14.777 11 HD1 HIS 2 1HD HIS 2 6.588 -2.073 13.464 12 HD2 HIS 2 2HD HIS 2 6.424 -5.789 15.416 13 HE1 HIS 2 1HE HIS 2 8.898 -2.525 14.371 14 H MET 3 H MET 3 6.543 -4.353 12.286 15 HA MET 3 HA MET 3 6.663 -4.475 9.414 16 HB2 MET 3 2HB MET 3 8.814 -4.288 11.557 17 HB3 MET 3 3HB MET 3 9.081 -4.056 9.826 18 HG2 MET 3 2HG MET 3 7.634 -2.126 9.753 19 HG3 MET 3 3HG MET 3 7.127 -2.354 11.410 20 HE1 MET 3 1HE MET 3 7.732 -0.246 12.620 21 HE2 MET 3 2HE MET 3 9.091 0.789 12.146 22 HE3 MET 3 3HE MET 3 7.813 0.387 10.973 23 H THR 4 H THR 4 5.720 -6.966 10.294 24 HA THR 4 HA THR 4 7.873 -8.778 9.250 25 HB THR 4 HB THR 4 7.568 -9.733 11.198 26 HG1 THR 4 1HG THR 4 6.966 -11.388 10.045 27 HG21 THR 4 1HG2 THR 4 5.498 -9.985 12.561 28 HG22 THR 4 2HG2 THR 4 4.675 -8.871 11.447 29 HG23 THR 4 3HG2 THR 4 6.092 -8.333 12.395 30 H ALA 5 H ALA 5 4.352 -8.879 9.588 31 HA ALA 5 HA ALA 5 3.871 -10.355 7.274 32 HB1 ALA 5 1HB ALA 5 1.569 -9.803 7.920 33 HB2 ALA 5 2HB ALA 5 2.549 -9.960 9.410 34 HB3 ALA 5 3HB ALA 5 2.120 -8.345 8.790 35 H VAL 6 H VAL 6 3.438 -6.992 7.948 36 HA VAL 6 HA VAL 6 2.868 -5.803 5.478 37 HB VAL 6 HB VAL 6 4.368 -4.840 7.924 38 HG11 VAL 6 1HG1 VAL 6 3.346 -3.259 5.550 39 HG12 VAL 6 2HG1 VAL 6 3.893 -2.547 7.090 40 HG13 VAL 6 3HG1 VAL 6 5.041 -3.419 6.080 41 HG21 VAL 6 1HG2 VAL 6 1.487 -4.382 7.002 42 HG22 VAL 6 2HG2 VAL 6 2.000 -5.407 8.362 43 HG23 VAL 6 3HG2 VAL 6 2.233 -3.659 8.440 44 H GLN 7 H GLN 7 6.103 -6.785 6.892 45 HA GLN 7 HA GLN 7 7.534 -5.448 4.773 46 HB2 GLN 7 2HB GLN 7 8.420 -5.988 7.075 47 HB3 GLN 7 3HB GLN 7 8.357 -7.704 6.712 48 HG2 GLN 7 2HG GLN 7 10.649 -6.834 6.540 49 HG3 GLN 7 3HG GLN 7 10.072 -7.511 5.008 50 HE21 GLN 7 1HE2 GLN 7 9.052 -4.307 6.221 51 HE22 GLN 7 2HE2 GLN 7 9.384 -3.677 4.652 52 H ASP 8 H ASP 8 6.910 -8.757 5.401 53 HA ASP 8 HA ASP 8 7.828 -10.016 3.054 54 HB2 ASP 8 2HB ASP 8 7.079 -11.075 5.227 55 HB3 ASP 8 3HB ASP 8 5.395 -10.867 4.702 56 H PHE 9 H PHE 9 4.532 -8.705 3.638 57 HA PHE 9 HA PHE 9 3.449 -9.108 0.995 58 HB2 PHE 9 2HB PHE 9 2.017 -8.429 2.901 59 HB3 PHE 9 3HB PHE 9 3.006 -6.986 3.155 60 HD1 PHE 9 1HD PHE 9 2.910 -5.046 1.537 61 HD2 PHE 9 2HD PHE 9 0.340 -8.474 1.214 62 HE1 PHE 9 1HE PHE 9 1.531 -3.832 -0.115 63 HE2 PHE 9 2HE PHE 9 -1.128 -7.182 -0.302 64 HZ PHE 9 HZ PHE 9 -0.493 -4.925 -1.081 65 H VAL 10 H VAL 10 5.068 -6.296 2.439 66 HA VAL 10 HA VAL 10 5.016 -4.629 0.182 67 HB VAL 10 HB VAL 10 6.992 -4.714 2.450 68 HG11 VAL 10 1HG1 VAL 10 8.355 -3.786 0.669 69 HG12 VAL 10 2HG1 VAL 10 7.046 -2.691 0.171 70 HG13 VAL 10 3HG1 VAL 10 7.857 -2.480 1.737 71 HG21 VAL 10 1HG2 VAL 10 5.853 -2.788 3.251 72 HG22 VAL 10 2HG2 VAL 10 5.145 -2.421 1.675 73 HG23 VAL 10 3HG2 VAL 10 4.527 -3.771 2.609 74 H VAL 11 H VAL 11 7.749 -6.845 0.995 75 HA VAL 11 HA VAL 11 9.133 -6.259 -1.399 76 HB VAL 11 HB VAL 11 10.052 -8.835 -0.792 77 HG11 VAL 11 1HG1 VAL 11 12.078 -7.519 -0.089 78 HG12 VAL 11 2HG1 VAL 11 11.407 -6.911 -1.601 79 HG13 VAL 11 3HG1 VAL 11 11.112 -6.026 -0.091 80 HG21 VAL 11 1HG2 VAL 11 8.924 -8.595 1.400 81 HG22 VAL 11 2HG2 VAL 11 10.688 -8.530 1.575 82 HG23 VAL 11 3HG2 VAL 11 9.750 -7.015 1.609 83 H ASP 12 H ASP 12 6.360 -8.177 -1.285 84 HA ASP 12 HA ASP 12 6.744 -9.607 -3.767 85 HB2 ASP 12 2HB ASP 12 4.801 -9.994 -2.293 86 HB3 ASP 12 3HB ASP 12 4.211 -8.378 -2.633 87 H ILE 13 H ILE 13 5.341 -6.373 -3.202 88 HA ILE 13 HA ILE 13 5.166 -5.375 -6.043 89 HB ILE 13 HB ILE 13 5.414 -3.940 -3.430 90 HG12 ILE 13 2HG1 ILE 13 2.988 -3.441 -3.835 91 HG13 ILE 13 3HG1 ILE 13 2.972 -4.744 -5.036 92 HG21 ILE 13 1HG2 ILE 13 4.583 -2.049 -4.867 93 HG22 ILE 13 2HG2 ILE 13 6.147 -2.612 -5.384 94 HG23 ILE 13 3HG2 ILE 13 4.723 -3.107 -6.292 95 HD11 ILE 13 1HD1 ILE 13 2.066 -5.273 -2.723 96 HD12 ILE 13 2HD1 ILE 13 3.317 -6.368 -3.287 97 HD13 ILE 13 3HD1 ILE 13 3.719 -5.108 -2.098 98 H LEU 14 H LEU 14 7.437 -5.149 -3.261 99 HA LEU 14 HA LEU 14 8.814 -3.083 -4.396 100 HB2 LEU 14 2HB LEU 14 8.859 -4.309 -1.887 101 HB3 LEU 14 3HB LEU 14 10.364 -4.807 -2.494 102 HG LEU 14 HG LEU 14 9.364 -2.007 -1.928 103 HD11 LEU 14 1HD1 LEU 14 10.473 -3.325 -0.126 104 HD12 LEU 14 2HD1 LEU 14 11.387 -1.873 -0.553 105 HD13 LEU 14 3HD1 LEU 14 11.928 -3.462 -1.131 106 HD21 LEU 14 1HD2 LEU 14 10.361 -1.729 -4.101 107 HD22 LEU 14 2HD2 LEU 14 11.778 -2.697 -3.650 108 HD23 LEU 14 3HD2 LEU 14 11.496 -1.102 -2.901 109 H LEU 15 H LEU 15 9.916 -6.455 -4.186 110 HA LEU 15 HA LEU 15 12.105 -5.882 -6.121 111 HB2 LEU 15 2HB LEU 15 11.781 -7.878 -3.873 112 HB3 LEU 15 3HB LEU 15 12.786 -8.309 -5.201 113 HG LEU 15 HG LEU 15 14.035 -7.345 -3.258 114 HD11 LEU 15 1HD1 LEU 15 15.626 -6.137 -4.701 115 HD12 LEU 15 2HD1 LEU 15 14.395 -5.992 -5.970 116 HD13 LEU 15 3HD1 LEU 15 15.014 -7.591 -5.500 117 HD21 LEU 15 1HD2 LEU 15 12.592 -5.371 -2.740 118 HD22 LEU 15 2HD2 LEU 15 13.083 -4.637 -4.280 119 HD23 LEU 15 3HD2 LEU 15 14.281 -4.943 -3.017 120 H ASN 16 H ASN 16 9.526 -8.248 -5.275 121 HA ASN 16 HA ASN 16 10.050 -9.729 -7.687 122 HB2 ASN 16 2HB ASN 16 7.723 -10.007 -5.738 123 HB3 ASN 16 3HB ASN 16 7.975 -11.017 -7.138 124 HD21 ASN 16 1HD2 ASN 16 9.082 -10.276 -3.886 125 HD22 ASN 16 2HD2 ASN 16 10.132 -11.680 -3.746 126 H GLY 17 H GLY 17 8.119 -6.882 -7.005 127 HA2 GLY 17 2HA GLY 17 7.084 -5.458 -8.530 128 HA3 GLY 17 3HA GLY 17 7.176 -6.653 -9.801 129 H ALA 18 H ALA 18 5.021 -5.048 -8.948 130 HA ALA 18 HA ALA 18 3.054 -6.590 -7.493 131 HB1 ALA 18 1HB ALA 18 3.192 -4.117 -7.393 132 HB2 ALA 18 2HB ALA 18 2.824 -4.015 -9.120 133 HB3 ALA 18 3HB ALA 18 1.614 -4.606 -7.963 134 H ARG 19 H ARG 19 0.760 -6.255 -8.613 135 HA ARG 19 HA ARG 19 0.409 -7.692 -11.165 136 HB2 ARG 19 2HB ARG 19 -1.600 -5.957 -9.733 137 HB3 ARG 19 3HB ARG 19 -1.904 -7.144 -10.998 138 HG2 ARG 19 2HG ARG 19 -1.334 -7.543 -8.130 139 HG3 ARG 19 3HG ARG 19 -2.670 -8.088 -9.084 140 HD2 ARG 19 2HD ARG 19 0.104 -9.265 -8.832 141 HD3 ARG 19 3HD ARG 19 -1.444 -10.017 -8.467 142 HE ARG 19 HE ARG 19 -0.207 -9.628 -11.152 143 HH11 ARG 19 1HH1 ARG 19 -3.375 -12.088 -10.743 144 HH12 ARG 19 2HH1 ARG 19 -2.894 -11.255 -9.334 145 HH21 ARG 19 1HH2 ARG 19 -2.357 -11.837 -12.691 146 HH22 ARG 19 2HH2 ARG 19 -1.103 -10.694 -12.966 147 H ASP 20 H ASP 20 -1.511 -5.775 -12.031 148 HA ASP 20 HA ASP 20 -0.337 -4.343 -14.106 149 HB2 ASP 20 2HB ASP 20 -2.788 -4.927 -13.544 150 HB3 ASP 20 3HB ASP 20 -2.805 -3.517 -12.579 151 H TRP 21 H TRP 21 0.257 -3.499 -10.881 152 HA TRP 21 HA TRP 21 0.129 -0.629 -11.117 153 HB2 TRP 21 2HB TRP 21 1.365 -2.279 -8.855 154 HB3 TRP 21 3HB TRP 21 0.959 -0.608 -8.883 155 HD1 TRP 21 1HD TRP 21 -1.405 -3.595 -9.777 156 HE1 TRP 21 1HE TRP 21 -3.634 -3.196 -8.704 157 HE3 TRP 21 3HE TRP 21 -0.138 0.490 -7.035 158 HZ2 TRP 21 2HZ TRP 21 -4.829 -1.178 -7.018 159 HZ3 TRP 21 3HZ TRP 21 -1.902 1.722 -5.745 160 HH2 TRP 21 2HH TRP 21 -4.200 0.837 -5.639 161 H ASP 22 H ASP 22 1.806 0.684 -10.805 162 HA ASP 22 HA ASP 22 4.441 -0.094 -12.016 163 HB2 ASP 22 2HB ASP 22 3.166 1.812 -13.043 164 HB3 ASP 22 3HB ASP 22 3.249 2.673 -11.513 165 H VAL 23 H VAL 23 6.297 1.107 -10.612 166 HA VAL 23 HA VAL 23 5.765 0.178 -7.847 167 HB VAL 23 HB VAL 23 8.185 -0.753 -9.499 168 HG11 VAL 23 1HG1 VAL 23 8.902 -1.918 -7.415 169 HG12 VAL 23 2HG1 VAL 23 8.901 -0.171 -7.207 170 HG13 VAL 23 3HG1 VAL 23 7.586 -1.137 -6.523 171 HG21 VAL 23 1HG2 VAL 23 6.192 -2.144 -9.914 172 HG22 VAL 23 2HG2 VAL 23 7.374 -3.041 -8.955 173 HG23 VAL 23 3HG2 VAL 23 5.940 -2.345 -8.168 174 H LEU 24 H LEU 24 5.713 1.787 -6.975 175 HA LEU 24 HA LEU 24 7.656 4.002 -7.521 176 HB2 LEU 24 2HB LEU 24 4.684 3.906 -7.107 177 HB3 LEU 24 3HB LEU 24 5.555 5.225 -6.713 178 HG LEU 24 HG LEU 24 4.514 5.706 -8.748 179 HD11 LEU 24 1HD1 LEU 24 6.420 6.630 -9.902 180 HD12 LEU 24 2HD1 LEU 24 7.510 5.463 -9.117 181 HD13 LEU 24 3HD1 LEU 24 6.681 6.698 -8.140 182 HD21 LEU 24 1HD2 LEU 24 6.226 3.587 -10.074 183 HD22 LEU 24 2HD2 LEU 24 4.996 4.654 -10.795 184 HD23 LEU 24 3HD2 LEU 24 4.507 3.382 -9.652 185 H GLN 25 H GLN 25 8.899 3.777 -6.046 186 HA GLN 25 HA GLN 25 8.145 3.389 -3.234 187 HB2 GLN 25 2HB GLN 25 10.870 3.893 -4.503 188 HB3 GLN 25 3HB GLN 25 10.584 3.545 -2.807 189 HG2 GLN 25 2HG GLN 25 9.848 1.707 -5.155 190 HG3 GLN 25 3HG GLN 25 11.294 1.533 -4.186 191 HE21 GLN 25 1HE2 GLN 25 8.105 0.297 -4.498 192 HE22 GLN 25 2HE2 GLN 25 8.079 -0.331 -2.864 193 H THR 26 H THR 26 6.828 5.134 -2.976 194 HA THR 26 HA THR 26 8.331 7.559 -2.304 195 HB THR 26 HB THR 26 7.508 8.021 -4.479 196 HG1 THR 26 1HG THR 26 6.370 9.960 -3.819 197 HG21 THR 26 1HG2 THR 26 4.655 7.864 -3.460 198 HG22 THR 26 2HG2 THR 26 5.410 6.653 -4.562 199 HG23 THR 26 3HG2 THR 26 5.211 8.332 -5.072 200 H THR 27 H THR 27 6.048 9.055 -1.314 201 HA THR 27 HA THR 27 4.865 7.467 0.783 202 HB THR 27 HB THR 27 5.619 8.730 2.687 203 HG1 THR 27 1HG THR 27 7.440 10.009 0.931 204 HG21 THR 27 1HG2 THR 27 7.877 8.052 3.045 205 HG22 THR 27 2HG2 THR 27 8.190 7.893 1.318 206 HG23 THR 27 3HG2 THR 27 7.091 6.754 2.124 207 H CYS 28 H CYS 28 2.920 8.434 1.239 208 HA CYS 28 HA CYS 28 2.423 10.888 -0.203 209 HB2 CYS 28 2HB CYS 28 1.263 9.051 -1.157 210 HB3 CYS 28 3HB CYS 28 0.659 8.626 0.501 211 HG CYS 28 HG CYS 28 -0.888 10.887 0.585 212 H THR 29 H THR 29 1.011 12.493 0.776 213 HA THR 29 HA THR 29 0.740 12.046 3.607 214 HB THR 29 HB THR 29 0.551 14.797 2.201 215 HG1 THR 29 1HG THR 29 2.788 13.443 2.704 216 HG21 THR 29 1HG2 THR 29 1.045 14.165 5.129 217 HG22 THR 29 2HG2 THR 29 -0.419 14.853 4.426 218 HG23 THR 29 3HG2 THR 29 1.077 15.789 4.418 219 H VAL 30 H VAL 30 -1.043 11.882 4.459 220 HA VAL 30 HA VAL 30 -3.494 13.270 3.584 221 HB VAL 30 HB VAL 30 -3.390 10.243 3.119 222 HG11 VAL 30 1HG1 VAL 30 -5.556 10.760 4.231 223 HG12 VAL 30 2HG1 VAL 30 -5.801 12.168 3.186 224 HG13 VAL 30 3HG1 VAL 30 -5.869 10.536 2.539 225 HG21 VAL 30 1HG2 VAL 30 -4.392 10.809 0.897 226 HG22 VAL 30 2HG2 VAL 30 -3.993 12.508 1.214 227 HG23 VAL 30 3HG2 VAL 30 -2.709 11.267 1.132 228 H ASP 31 H ASP 31 -5.270 12.988 5.226 229 HA ASP 31 HA ASP 31 -6.160 12.668 7.309 230 HB2 ASP 31 2HB ASP 31 -4.776 10.149 6.603 231 HB3 ASP 31 3HB ASP 31 -4.660 10.386 8.285 232 H ARG 32 H ARG 32 -3.540 14.098 6.985 233 HA ARG 32 HA ARG 32 -2.111 15.395 8.195 234 HB2 ARG 32 2HB ARG 32 -3.429 14.356 10.755 235 HB3 ARG 32 3HB ARG 32 -2.382 15.765 10.601 236 HG2 ARG 32 2HG ARG 32 -4.013 17.034 9.422 237 HG3 ARG 32 3HG ARG 32 -4.985 15.627 9.039 238 HD2 ARG 32 2HD ARG 32 -6.162 16.847 10.690 239 HD3 ARG 32 3HD ARG 32 -5.583 15.333 11.394 240 HE ARG 32 HE ARG 32 -3.651 17.334 11.937 241 HH11 ARG 32 1HH1 ARG 32 -6.686 17.216 14.569 242 HH12 ARG 32 2HH1 ARG 32 -6.923 16.505 12.986 243 HH21 ARG 32 1HH2 ARG 32 -4.772 18.133 15.107 244 HH22 ARG 32 2HH2 ARG 32 -3.430 18.211 13.989 245 H LYS 33 H LYS 33 -1.698 12.556 7.452 246 HA LYS 33 HA LYS 33 0.684 11.892 9.092 247 HB2 LYS 33 2HB LYS 33 -1.278 10.524 9.860 248 HB3 LYS 33 3HB LYS 33 -1.527 9.961 8.219 249 HG2 LYS 33 2HG LYS 33 0.331 8.633 8.195 250 HG3 LYS 33 3HG LYS 33 1.208 9.624 9.378 251 HD2 LYS 33 2HD LYS 33 0.769 8.074 10.931 252 HD3 LYS 33 3HD LYS 33 -0.921 8.604 10.897 253 HE2 LYS 33 2HE LYS 33 -1.241 7.075 8.923 254 HE3 LYS 33 3HE LYS 33 0.374 6.386 9.210 255 HZ1 LYS 33 1HZ LYS 33 -0.378 5.781 11.427 256 HZ2 LYS 33 2HZ LYS 33 -1.112 5.004 10.152 257 HZ3 LYS 33 3HZ LYS 33 -1.926 6.187 11.009 258 H VAL 34 H VAL 34 2.205 10.561 7.897 259 HA VAL 34 HA VAL 34 1.900 10.591 4.959 260 HB VAL 34 HB VAL 34 4.186 11.239 6.635 261 HG11 VAL 34 1HG1 VAL 34 4.410 10.282 3.724 262 HG12 VAL 34 2HG1 VAL 34 5.749 11.045 4.617 263 HG13 VAL 34 3HG1 VAL 34 5.162 9.463 5.120 264 HG21 VAL 34 1HG2 VAL 34 4.531 13.074 5.035 265 HG22 VAL 34 2HG2 VAL 34 3.160 12.418 4.099 266 HG23 VAL 34 3HG2 VAL 34 2.907 13.057 5.751 267 H TYR 35 H TYR 35 1.951 8.798 4.025 268 HA TYR 35 HA TYR 35 2.438 6.228 5.468 269 HB2 TYR 35 2HB TYR 35 0.743 6.921 3.058 270 HB3 TYR 35 3HB TYR 35 0.865 5.338 3.811 271 HD1 TYR 35 1HD TYR 35 -0.591 8.722 3.930 272 HD2 TYR 35 2HD TYR 35 0.061 5.008 6.046 273 HE1 TYR 35 1HE TYR 35 -2.505 9.239 5.450 274 HE2 TYR 35 2HE TYR 35 -1.980 5.420 7.519 275 HH TYR 35 HH TYR 35 -3.950 8.390 7.193 276 H LYS 36 H LYS 36 3.739 4.663 4.392 277 HA LYS 36 HA LYS 36 5.187 5.794 2.089 278 HB2 LYS 36 2HB LYS 36 5.906 3.405 3.651 279 HB3 LYS 36 3HB LYS 36 6.948 4.374 2.679 280 HG2 LYS 36 2HG LYS 36 6.606 6.267 4.398 281 HG3 LYS 36 3HG LYS 36 5.769 5.083 5.414 282 HD2 LYS 36 2HD LYS 36 8.028 5.121 6.220 283 HD3 LYS 36 3HD LYS 36 7.859 3.638 5.289 284 HE2 LYS 36 2HE LYS 36 9.831 4.309 4.361 285 HE3 LYS 36 3HE LYS 36 8.761 5.214 3.290 286 HZ1 LYS 36 1HZ LYS 36 10.430 6.697 4.048 287 HZ2 LYS 36 2HZ LYS 36 10.323 6.220 5.590 288 HZ3 LYS 36 3HZ LYS 36 9.109 7.124 4.958 289 H THR 37 H THR 37 5.063 5.201 0.132 290 HA THR 37 HA THR 37 3.015 3.198 -0.518 291 HB THR 37 HB THR 37 2.744 4.392 -2.637 292 HG1 THR 37 1HG THR 37 5.087 5.120 -2.181 293 HG21 THR 37 1HG2 THR 37 2.648 6.213 -0.183 294 HG22 THR 37 2HG2 THR 37 1.312 5.262 -0.881 295 HG23 THR 37 3HG2 THR 37 1.985 6.625 -1.779 296 H ILE 38 H ILE 38 3.376 1.676 -1.994 297 HA ILE 38 HA ILE 38 6.212 0.969 -2.512 298 HB ILE 38 HB ILE 38 3.844 -0.877 -3.068 299 HG12 ILE 38 2HG1 ILE 38 4.882 -0.312 -0.179 300 HG13 ILE 38 3HG1 ILE 38 3.292 0.120 -0.757 301 HG21 ILE 38 1HG2 ILE 38 6.681 -1.059 -1.692 302 HG22 ILE 38 2HG2 ILE 38 5.716 -2.465 -2.023 303 HG23 ILE 38 3HG2 ILE 38 6.379 -1.506 -3.357 304 HD11 ILE 38 1HD1 ILE 38 4.239 -2.731 -0.499 305 HD12 ILE 38 2HD1 ILE 38 3.023 -1.883 0.469 306 HD13 ILE 38 3HD1 ILE 38 2.716 -2.217 -1.249 307 H CYS 39 H CYS 39 3.125 1.334 -4.014 308 HA CYS 39 HA CYS 39 4.151 1.207 -6.754 309 HB2 CYS 39 2HB CYS 39 2.349 -0.669 -7.151 310 HB3 CYS 39 3HB CYS 39 3.680 -1.028 -6.759 311 HG CYS 39 HG CYS 39 2.942 -1.754 -4.287 312 H LYS 40 H LYS 40 2.705 2.026 -8.258 313 HA LYS 40 HA LYS 40 0.155 2.900 -7.189 314 HB2 LYS 40 2HB LYS 40 0.255 5.012 -7.755 315 HB3 LYS 40 3HB LYS 40 1.768 4.908 -7.397 316 HG2 LYS 40 2HG LYS 40 2.269 5.935 -9.174 317 HG3 LYS 40 3HG LYS 40 2.292 4.266 -9.926 318 HD2 LYS 40 2HD LYS 40 0.198 4.622 -10.955 319 HD3 LYS 40 3HD LYS 40 -0.239 5.552 -9.493 320 HE2 LYS 40 2HE LYS 40 -0.293 7.099 -11.297 321 HE3 LYS 40 3HE LYS 40 0.952 7.343 -10.049 322 HZ1 LYS 40 1HZ LYS 40 1.346 6.040 -12.782 323 HZ2 LYS 40 2HZ LYS 40 2.556 6.483 -11.741 324 HZ3 LYS 40 3HZ LYS 40 1.701 7.627 -12.489 325 H ARG 41 H ARG 41 -1.592 3.053 -8.492 326 HA ARG 41 HA ARG 41 -1.220 2.314 -11.290 327 HB2 ARG 41 2HB ARG 41 -1.889 0.182 -10.061 328 HB3 ARG 41 3HB ARG 41 -3.410 1.005 -9.600 329 HG2 ARG 41 2HG ARG 41 -3.599 1.506 -12.199 330 HG3 ARG 41 3HG ARG 41 -2.374 0.288 -12.360 331 HD2 ARG 41 2HD ARG 41 -3.817 -1.222 -10.941 332 HD3 ARG 41 3HD ARG 41 -5.129 -0.049 -11.026 333 HE ARG 41 HE ARG 41 -3.903 -1.028 -13.551 334 HH11 ARG 41 1HH1 ARG 41 -7.506 -2.539 -12.641 335 HH12 ARG 41 2HH1 ARG 41 -6.767 -1.562 -11.404 336 HH21 ARG 41 1HH2 ARG 41 -6.465 -2.907 -14.642 337 HH22 ARG 41 2HH2 ARG 41 -4.869 -2.274 -14.893 338 H GLY 42 H GLY 42 -2.059 3.876 -12.281 339 HA2 GLY 42 2HA GLY 42 -3.378 5.754 -12.776 340 HA3 GLY 42 3HA GLY 42 -4.698 5.016 -11.903 341 H ASN 43 H ASN 43 -5.390 6.495 -10.454 342 HA ASN 43 HA ASN 43 -3.584 8.380 -9.208 343 HB2 ASN 43 2HB ASN 43 -5.321 9.778 -8.730 344 HB3 ASN 43 3HB ASN 43 -5.779 9.073 -10.255 345 HD21 ASN 43 1HD2 ASN 43 -7.081 6.859 -9.868 346 HD22 ASN 43 2HD2 ASN 43 -8.345 7.053 -8.666 347 H THR 44 H THR 44 -3.992 5.366 -8.591 348 HA THR 44 HA THR 44 -4.168 5.739 -5.671 349 HB THR 44 HB THR 44 -5.995 4.566 -6.272 350 HG1 THR 44 1HG THR 44 -4.319 2.595 -5.201 351 HG21 THR 44 1HG2 THR 44 -5.719 3.413 -8.217 352 HG22 THR 44 2HG2 THR 44 -5.914 2.192 -7.025 353 HG23 THR 44 3HG2 THR 44 -4.247 2.489 -7.610 354 H TYR 45 H TYR 45 -2.905 4.457 -4.219 355 HA TYR 45 HA TYR 45 -0.195 4.014 -5.091 356 HB2 TYR 45 2HB TYR 45 -1.052 6.383 -3.503 357 HB3 TYR 45 3HB TYR 45 0.848 5.546 -3.270 358 HD1 TYR 45 1HD TYR 45 -1.607 7.246 -6.054 359 HD2 TYR 45 2HD TYR 45 2.398 6.296 -4.556 360 HE1 TYR 45 1HE TYR 45 -0.782 8.425 -7.838 361 HE2 TYR 45 2HE TYR 45 3.234 7.713 -6.435 362 HH TYR 45 HH TYR 45 2.718 9.167 -8.077 363 H LEU 46 H LEU 46 0.085 2.120 -4.069 364 HA LEU 46 HA LEU 46 -1.631 1.553 -1.660 365 HB2 LEU 46 2HB LEU 46 -0.508 0.144 -3.895 366 HB3 LEU 46 3HB LEU 46 0.350 -0.207 -2.654 367 HG LEU 46 HG LEU 46 -1.227 -1.945 -2.864 368 HD11 LEU 46 1HD1 LEU 46 -1.192 -1.837 -0.487 369 HD12 LEU 46 2HD1 LEU 46 -2.878 -2.107 -1.090 370 HD13 LEU 46 3HD1 LEU 46 -2.389 -0.515 -0.489 371 HD21 LEU 46 1HD2 LEU 46 -2.802 -0.615 -4.152 372 HD22 LEU 46 2HD2 LEU 46 -3.314 0.256 -2.661 373 HD23 LEU 46 3HD2 LEU 46 -3.684 -1.462 -2.892 374 H CYS 47 H CYS 47 -0.842 1.737 0.319 375 HA CYS 47 HA CYS 47 2.087 1.945 0.795 376 HB2 CYS 47 2HB CYS 47 1.092 3.682 2.635 377 HB3 CYS 47 3HB CYS 47 1.624 4.213 1.072 378 HG CYS 47 HG CYS 47 -0.680 5.344 1.969 379 H PHE 48 H PHE 48 2.511 2.093 3.128 380 HA PHE 48 HA PHE 48 0.856 0.267 4.737 381 HB2 PHE 48 2HB PHE 48 2.711 -0.975 5.395 382 HB3 PHE 48 3HB PHE 48 2.742 -0.948 3.631 383 HD1 PHE 48 1HD PHE 48 4.458 0.187 6.636 384 HD2 PHE 48 2HD PHE 48 4.404 0.133 2.361 385 HE1 PHE 48 1HE PHE 48 6.866 0.718 6.640 386 HE2 PHE 48 2HE PHE 48 6.845 0.627 2.300 387 HZ PHE 48 HZ PHE 48 8.114 0.845 4.462 388 H ASP 49 H ASP 49 1.142 0.304 6.918 389 HA ASP 49 HA ASP 49 3.103 2.223 7.977 390 HB2 ASP 49 2HB ASP 49 0.525 1.824 9.457 391 HB3 ASP 49 3HB ASP 49 1.872 2.820 9.948 392 H ASP 50 H ASP 50 2.312 1.399 10.688 393 HA ASP 50 HA ASP 50 4.079 -0.796 10.775 394 HB2 ASP 50 2HB ASP 50 2.799 0.910 12.672 395 HB3 ASP 50 3HB ASP 50 2.366 -0.653 13.196 396 H THR 51 H THR 51 0.777 -0.608 10.537 397 HA THR 51 HA THR 51 0.164 -2.891 12.214 398 HB THR 51 HB THR 51 -2.098 -1.679 12.227 399 HG1 THR 51 1HG THR 51 -2.253 -0.436 10.572 400 HG21 THR 51 1HG2 THR 51 -0.336 -1.126 13.941 401 HG22 THR 51 2HG2 THR 51 -1.439 0.209 13.526 402 HG23 THR 51 3HG2 THR 51 0.203 0.195 12.875 403 H ASN 52 H ASN 52 0.112 -2.103 8.823 404 HA ASN 52 HA ASN 52 -1.464 -3.690 7.520 405 HB2 ASN 52 2HB ASN 52 -3.580 -2.622 7.371 406 HB3 ASN 52 3HB ASN 52 -3.453 -3.469 8.866 407 HD21 ASN 52 1HD2 ASN 52 -3.323 -0.145 7.395 408 HD22 ASN 52 2HD2 ASN 52 -3.690 0.662 8.885 409 H LEU 53 H LEU 53 -2.840 -2.228 5.912 410 HA LEU 53 HA LEU 53 -0.834 -0.521 4.542 411 HB2 LEU 53 2HB LEU 53 -2.687 -2.785 3.668 412 HB3 LEU 53 3HB LEU 53 -1.691 -1.844 2.568 413 HG LEU 53 HG LEU 53 -0.774 -3.694 4.844 414 HD11 LEU 53 1HD1 LEU 53 0.414 -4.746 2.952 415 HD12 LEU 53 2HD1 LEU 53 -0.520 -3.715 1.857 416 HD13 LEU 53 3HD1 LEU 53 -1.353 -4.877 2.963 417 HD21 LEU 53 1HD2 LEU 53 0.827 -1.915 4.819 418 HD22 LEU 53 2HD2 LEU 53 0.946 -1.987 3.028 419 HD23 LEU 53 3HD2 LEU 53 1.560 -3.303 4.057 420 H TYR 54 H TYR 54 -1.830 0.703 2.682 421 HA TYR 54 HA TYR 54 -4.653 1.453 3.095 422 HB2 TYR 54 2HB TYR 54 -2.681 3.715 3.191 423 HB3 TYR 54 3HB TYR 54 -4.379 3.728 3.394 424 HD1 TYR 54 1HD TYR 54 -5.174 4.067 5.512 425 HD2 TYR 54 2HD TYR 54 -1.371 2.098 5.153 426 HE1 TYR 54 1HE TYR 54 -5.018 3.938 7.957 427 HE2 TYR 54 2HE TYR 54 -1.382 1.640 7.577 428 HH TYR 54 HH TYR 54 -3.863 3.105 9.761 429 H ALA 55 H ALA 55 -5.556 2.283 1.129 430 HA ALA 55 HA ALA 55 -3.622 2.628 -1.157 431 HB1 ALA 55 1HB ALA 55 -5.201 0.706 -1.507 432 HB2 ALA 55 2HB ALA 55 -6.579 1.806 -1.273 433 HB3 ALA 55 3HB ALA 55 -5.478 2.033 -2.657 434 H ILE 56 H ILE 56 -3.129 4.698 -1.174 435 HA ILE 56 HA ILE 56 -5.277 6.719 -0.576 436 HB ILE 56 HB ILE 56 -2.374 7.071 -1.119 437 HG12 ILE 56 2HG1 ILE 56 -3.531 8.228 1.253 438 HG13 ILE 56 3HG1 ILE 56 -3.673 6.378 1.224 439 HG21 ILE 56 1HG2 ILE 56 -3.483 8.962 -2.204 440 HG22 ILE 56 2HG2 ILE 56 -4.638 9.025 -0.827 441 HG23 ILE 56 3HG2 ILE 56 -2.963 9.515 -0.573 442 HD11 ILE 56 1HD1 ILE 56 -1.748 6.739 2.310 443 HD12 ILE 56 2HD1 ILE 56 -1.076 6.816 0.713 444 HD13 ILE 56 3HD1 ILE 56 -1.358 8.353 1.580 445 H THR 57 H THR 57 -6.687 6.713 -2.121 446 HA THR 57 HA THR 57 -5.928 6.865 -5.002 447 HB THR 57 HB THR 57 -8.666 6.425 -3.768 448 HG1 THR 57 1HG THR 57 -6.987 4.738 -3.461 449 HG21 THR 57 1HG2 THR 57 -7.496 6.088 -6.530 450 HG22 THR 57 2HG2 THR 57 -8.759 7.272 -6.051 451 HG23 THR 57 3HG2 THR 57 -9.133 5.546 -6.062 452 H GLY 58 H GLY 58 -5.444 8.955 -5.431 453 HA2 GLY 58 2HA GLY 58 -5.669 11.312 -5.562 454 HA3 GLY 58 3HA GLY 58 -7.355 11.098 -5.055 455 H ASP 59 H ASP 59 -7.881 11.322 -2.981 456 HA ASP 59 HA ASP 59 -5.834 12.000 -0.887 457 HB2 ASP 59 2HB ASP 59 -8.387 13.390 -1.726 458 HB3 ASP 59 3HB ASP 59 -7.898 13.470 -0.057 459 H VAL 60 H VAL 60 -7.790 9.639 -1.871 460 HA VAL 60 HA VAL 60 -9.358 9.195 0.615 461 HB VAL 60 HB VAL 60 -9.415 7.683 -2.041 462 HG11 VAL 60 1HG1 VAL 60 -9.975 6.093 -0.290 463 HG12 VAL 60 2HG1 VAL 60 -11.076 7.277 0.471 464 HG13 VAL 60 3HG1 VAL 60 -11.451 6.576 -1.123 465 HG21 VAL 60 1HG2 VAL 60 -11.664 8.672 -2.301 466 HG22 VAL 60 2HG2 VAL 60 -11.435 9.602 -0.811 467 HG23 VAL 60 3HG2 VAL 60 -10.415 9.917 -2.239 468 H VAL 61 H VAL 61 -7.823 8.702 2.021 469 HA VAL 61 HA VAL 61 -5.909 6.541 1.610 470 HB VAL 61 HB VAL 61 -5.445 8.409 2.994 471 HG11 VAL 61 1HG1 VAL 61 -7.475 7.444 5.066 472 HG12 VAL 61 2HG1 VAL 61 -6.405 8.846 5.163 473 HG13 VAL 61 3HG1 VAL 61 -7.723 8.836 3.993 474 HG21 VAL 61 1HG2 VAL 61 -4.440 7.277 4.873 475 HG22 VAL 61 2HG2 VAL 61 -5.568 5.930 4.717 476 HG23 VAL 61 3HG2 VAL 61 -4.346 6.215 3.457 477 H LEU 62 H LEU 62 -7.200 4.816 0.860 478 HA LEU 62 HA LEU 62 -9.310 3.805 2.614 479 HB2 LEU 62 2HB LEU 62 -9.460 3.854 0.156 480 HB3 LEU 62 3HB LEU 62 -8.129 2.790 0.015 481 HG LEU 62 HG LEU 62 -9.887 1.416 -0.372 482 HD11 LEU 62 1HD1 LEU 62 -9.812 0.977 2.617 483 HD12 LEU 62 2HD1 LEU 62 -8.716 0.237 1.419 484 HD13 LEU 62 3HD1 LEU 62 -10.432 -0.134 1.393 485 HD21 LEU 62 1HD2 LEU 62 -11.504 2.752 1.839 486 HD22 LEU 62 2HD2 LEU 62 -12.099 1.489 0.736 487 HD23 LEU 62 3HD2 LEU 62 -11.652 3.076 0.098 488 H LYS 63 H LYS 63 -8.095 3.492 4.486 489 HA LYS 63 HA LYS 63 -6.041 1.627 4.887 490 HB2 LYS 63 2HB LYS 63 -6.529 1.502 7.121 491 HB3 LYS 63 3HB LYS 63 -6.906 3.153 6.629 492 HG2 LYS 63 2HG LYS 63 -8.981 3.062 7.382 493 HG3 LYS 63 3HG LYS 63 -9.351 1.547 6.599 494 HD2 LYS 63 2HD LYS 63 -9.603 1.476 9.064 495 HD3 LYS 63 3HD LYS 63 -8.457 0.269 8.468 496 HE2 LYS 63 2HE LYS 63 -6.569 1.456 9.242 497 HE3 LYS 63 3HE LYS 63 -7.482 2.973 9.423 498 HZ1 LYS 63 1HZ LYS 63 -7.143 2.140 11.547 499 HZ2 LYS 63 2HZ LYS 63 -7.540 0.598 11.209 500 HZ3 LYS 63 3HZ LYS 63 -8.711 1.791 11.267 501 H PHE 64 H PHE 64 -5.736 -0.412 5.074 502 HA PHE 64 HA PHE 64 -7.937 -2.393 4.709 503 HB2 PHE 64 2HB PHE 64 -4.931 -2.605 4.544 504 HB3 PHE 64 3HB PHE 64 -5.983 -3.906 4.360 505 HD1 PHE 64 1HD PHE 64 -4.167 -1.494 2.602 506 HD2 PHE 64 2HD PHE 64 -8.072 -3.300 2.549 507 HE1 PHE 64 1HE PHE 64 -4.442 -0.814 0.257 508 HE2 PHE 64 2HE PHE 64 -8.346 -2.602 0.219 509 HZ PHE 64 HZ PHE 64 -6.476 -1.433 -0.996 510 H ALA 65 H ALA 65 -8.382 -3.739 6.632 511 HA ALA 65 HA ALA 65 -7.068 -3.188 9.158 512 HB1 ALA 65 1HB ALA 65 -9.425 -3.963 8.876 513 HB2 ALA 65 2HB ALA 65 -8.805 -5.524 8.254 514 HB3 ALA 65 3HB ALA 65 -8.485 -5.037 9.930 515 H THR 66 H THR 66 -5.846 -5.061 6.496 516 HA THR 66 HA THR 66 -4.100 -6.768 8.167 517 HB THR 66 HB THR 66 -5.061 -8.137 5.829 518 HG1 THR 66 1HG THR 66 -7.014 -7.936 7.929 519 HG21 THR 66 1HG2 THR 66 -5.597 -9.999 7.348 520 HG22 THR 66 2HG2 THR 66 -5.256 -8.954 8.752 521 HG23 THR 66 3HG2 THR 66 -3.959 -9.353 7.600 522 H VAL 67 H VAL 67 -2.583 -7.693 6.887 523 HA VAL 67 HA VAL 67 -1.807 -5.922 4.798 524 HB VAL 67 HB VAL 67 -0.601 -8.643 4.997 525 HG11 VAL 67 1HG1 VAL 67 1.371 -7.032 4.697 526 HG12 VAL 67 2HG1 VAL 67 -0.026 -6.735 3.564 527 HG13 VAL 67 3HG1 VAL 67 0.211 -5.722 5.063 528 HG21 VAL 67 1HG2 VAL 67 -0.474 -8.306 7.388 529 HG22 VAL 67 2HG2 VAL 67 1.074 -8.050 6.513 530 HG23 VAL 67 3HG2 VAL 67 0.176 -6.649 7.130 531 H SER 68 H SER 68 -3.147 -9.325 4.846 532 HA SER 68 HA SER 68 -2.915 -9.712 2.105 533 HB2 SER 68 2HB SER 68 -4.899 -11.038 3.966 534 HB3 SER 68 3HB SER 68 -4.378 -11.627 2.370 535 HG SER 68 HG SER 68 -2.931 -12.619 3.633 536 H LYS 69 H LYS 69 -5.435 -7.805 3.738 537 HA LYS 69 HA LYS 69 -7.355 -7.836 1.664 538 HB2 LYS 69 2HB LYS 69 -6.470 -5.365 3.066 539 HB3 LYS 69 3HB LYS 69 -8.090 -5.821 2.487 540 HG2 LYS 69 2HG LYS 69 -7.472 -7.702 4.482 541 HG3 LYS 69 3HG LYS 69 -6.632 -6.244 5.039 542 HD2 LYS 69 2HD LYS 69 -8.561 -5.694 6.000 543 HD3 LYS 69 3HD LYS 69 -8.961 -5.115 4.358 544 HE2 LYS 69 2HE LYS 69 -9.680 -7.652 3.998 545 HE3 LYS 69 3HE LYS 69 -9.451 -7.834 5.693 546 HZ1 LYS 69 1HZ LYS 69 -11.755 -7.454 5.268 547 HZ2 LYS 69 2HZ LYS 69 -11.527 -6.099 4.406 548 HZ3 LYS 69 3HZ LYS 69 -11.252 -6.105 6.032 549 H ALA 70 H ALA 70 -4.455 -5.783 2.042 550 HA ALA 70 HA ALA 70 -4.774 -4.313 -0.385 551 HB1 ALA 70 1HB ALA 70 -2.326 -3.930 -0.080 552 HB2 ALA 70 2HB ALA 70 -3.215 -3.736 1.448 553 HB3 ALA 70 3HB ALA 70 -2.290 -5.225 1.093 554 H ARG 71 H ARG 71 -3.670 -7.627 0.151 555 HA ARG 71 HA ARG 71 -2.157 -7.902 -2.278 556 HB2 ARG 71 2HB ARG 71 -2.185 -9.141 0.098 557 HB3 ARG 71 3HB ARG 71 -3.497 -10.068 -0.607 558 HG2 ARG 71 2HG ARG 71 -1.308 -11.197 -0.598 559 HG3 ARG 71 3HG ARG 71 -2.027 -11.070 -2.219 560 HD2 ARG 71 2HD ARG 71 -0.373 -8.728 -1.418 561 HD3 ARG 71 3HD ARG 71 0.520 -10.173 -1.414 562 HE ARG 71 HE ARG 71 -1.219 -9.946 -3.768 563 HH11 ARG 71 1HH1 ARG 71 2.350 -8.079 -3.976 564 HH12 ARG 71 2HH1 ARG 71 1.538 -8.182 -2.439 565 HH21 ARG 71 1HH2 ARG 71 1.633 -9.014 -5.681 566 HH22 ARG 71 2HH2 ARG 71 0.119 -9.887 -5.770 567 H ALA 72 H ALA 72 -5.430 -8.489 -1.376 568 HA ALA 72 HA ALA 72 -6.220 -9.459 -4.037 569 HB1 ALA 72 1HB ALA 72 -7.189 -10.255 -1.976 570 HB2 ALA 72 2HB ALA 72 -7.670 -8.609 -1.490 571 HB3 ALA 72 3HB ALA 72 -8.425 -9.387 -2.916 572 H TYR 73 H TYR 73 -5.845 -6.341 -2.361 573 HA TYR 73 HA TYR 73 -7.594 -4.701 -3.894 574 HB2 TYR 73 2HB TYR 73 -6.631 -4.000 -1.777 575 HB3 TYR 73 3HB TYR 73 -5.131 -3.663 -2.652 576 HD1 TYR 73 1HD TYR 73 -8.700 -2.741 -2.265 577 HD2 TYR 73 2HD TYR 73 -5.114 -2.023 -4.536 578 HE1 TYR 73 1HE TYR 73 -9.780 -0.783 -3.352 579 HE2 TYR 73 2HE TYR 73 -6.196 -0.166 -5.673 580 HH TYR 73 HH TYR 73 -7.996 1.180 -5.768 581 H LEU 74 H LEU 74 -4.106 -5.392 -4.205 582 HA LEU 74 HA LEU 74 -3.748 -3.958 -6.442 583 HB2 LEU 74 2HB LEU 74 -2.377 -6.225 -4.994 584 HB3 LEU 74 3HB LEU 74 -2.086 -6.270 -6.651 585 HG LEU 74 HG LEU 74 -1.024 -4.151 -6.754 586 HD11 LEU 74 1HD1 LEU 74 -1.908 -3.732 -3.889 587 HD12 LEU 74 2HD1 LEU 74 -2.485 -2.799 -5.288 588 HD13 LEU 74 3HD1 LEU 74 -0.799 -2.672 -4.821 589 HD21 LEU 74 1HD2 LEU 74 -0.204 -5.517 -4.179 590 HD22 LEU 74 2HD2 LEU 74 0.773 -4.375 -5.119 591 HD23 LEU 74 3HD2 LEU 74 0.361 -5.969 -5.817 592 H GLU 75 H GLU 75 -5.097 -7.225 -6.422 593 HA GLU 75 HA GLU 75 -5.140 -7.200 -9.397 594 HB2 GLU 75 2HB GLU 75 -5.945 -9.593 -9.140 595 HB3 GLU 75 3HB GLU 75 -4.318 -9.206 -8.835 596 HG2 GLU 75 2HG GLU 75 -4.647 -9.293 -6.409 597 HG3 GLU 75 3HG GLU 75 -6.349 -9.670 -6.694 598 H THR 76 H THR 76 -7.088 -5.951 -7.160 599 HA THR 76 HA THR 76 -9.629 -6.563 -8.657 600 HB THR 76 HB THR 76 -9.348 -6.165 -5.648 601 HG1 THR 76 1HG THR 76 -8.537 -8.121 -6.188 602 HG21 THR 76 1HG2 THR 76 -11.677 -7.070 -7.427 603 HG22 THR 76 2HG2 THR 76 -11.530 -5.480 -6.619 604 HG23 THR 76 3HG2 THR 76 -11.679 -6.956 -5.646 605 H LYS 77 H LYS 77 -9.420 -4.877 -9.873 606 HA LYS 77 HA LYS 77 -10.098 -2.879 -10.639 607 HB2 LYS 77 2HB LYS 77 -11.084 -2.809 -7.940 608 HB3 LYS 77 3HB LYS 77 -10.640 -1.198 -8.469 609 HG2 LYS 77 2HG LYS 77 -12.991 -1.628 -8.931 610 HG3 LYS 77 3HG LYS 77 -12.055 -1.467 -10.460 611 HD2 LYS 77 2HD LYS 77 -12.084 -3.827 -10.860 612 HD3 LYS 77 3HD LYS 77 -12.600 -4.186 -9.210 613 HE2 LYS 77 2HE LYS 77 -14.345 -4.491 -10.886 614 HE3 LYS 77 3HE LYS 77 -14.795 -3.336 -9.609 615 HZ1 LYS 77 1HZ LYS 77 -15.457 -2.406 -11.723 616 HZ2 LYS 77 2HZ LYS 77 -13.949 -2.550 -12.365 617 HZ3 LYS 77 3HZ LYS 77 -14.240 -1.495 -11.127 Start of MODEL 12 1 H2 SER 1 2H SER 1 3.898 -8.160 16.681 2 H3 SER 1 3H SER 1 3.372 -9.676 16.992 3 HA SER 1 HA SER 1 4.213 -9.634 14.820 4 HB2 SER 1 2HB SER 1 2.148 -10.974 15.507 5 HB3 SER 1 3HB SER 1 1.196 -9.772 14.629 6 HG SER 1 HG SER 1 2.074 -11.764 13.498 7 H HIS 2 H HIS 2 4.243 -8.710 12.654 8 HA HIS 2 HA HIS 2 2.919 -6.524 11.626 9 HB2 HIS 2 2HB HIS 2 4.682 -4.654 12.192 10 HB3 HIS 2 3HB HIS 2 3.258 -4.890 13.147 11 HD1 HIS 2 1HD HIS 2 3.603 -5.085 15.677 12 HD2 HIS 2 2HD HIS 2 7.100 -5.623 13.437 13 HE1 HIS 2 1HE HIS 2 5.499 -5.494 17.357 14 H MET 3 H MET 3 6.378 -6.609 12.245 15 HA MET 3 HA MET 3 7.457 -6.566 9.631 16 HB2 MET 3 2HB MET 3 9.522 -7.209 10.804 17 HB3 MET 3 3HB MET 3 8.668 -6.011 11.751 18 HG2 MET 3 2HG MET 3 8.051 -7.559 13.417 19 HG3 MET 3 3HG MET 3 8.116 -8.942 12.338 20 HE1 MET 3 1HE MET 3 10.064 -10.487 11.941 21 HE2 MET 3 2HE MET 3 10.735 -9.141 10.996 22 HE3 MET 3 3HE MET 3 11.756 -9.980 12.182 23 H THR 4 H THR 4 5.569 -9.030 10.480 24 HA THR 4 HA THR 4 7.114 -11.016 8.933 25 HB THR 4 HB THR 4 4.674 -11.453 10.603 26 HG1 THR 4 1HG THR 4 7.340 -12.174 11.165 27 HG21 THR 4 1HG2 THR 4 5.286 -13.872 10.377 28 HG22 THR 4 2HG2 THR 4 6.573 -13.399 9.238 29 HG23 THR 4 3HG2 THR 4 4.874 -13.106 8.833 30 H ALA 5 H ALA 5 3.698 -10.197 9.485 31 HA ALA 5 HA ALA 5 2.781 -10.777 6.928 32 HB1 ALA 5 1HB ALA 5 1.786 -8.614 8.860 33 HB2 ALA 5 2HB ALA 5 0.823 -9.548 7.662 34 HB3 ALA 5 3HB ALA 5 1.489 -10.377 9.084 35 H VAL 6 H VAL 6 3.608 -7.584 8.200 36 HA VAL 6 HA VAL 6 3.036 -6.000 5.913 37 HB VAL 6 HB VAL 6 4.752 -5.550 8.347 38 HG11 VAL 6 1HG1 VAL 6 3.849 -3.499 6.286 39 HG12 VAL 6 2HG1 VAL 6 4.557 -3.106 7.873 40 HG13 VAL 6 3HG1 VAL 6 5.530 -3.954 6.671 41 HG21 VAL 6 1HG2 VAL 6 2.877 -4.217 9.195 42 HG22 VAL 6 2HG2 VAL 6 1.959 -4.523 7.699 43 HG23 VAL 6 3HG2 VAL 6 2.334 -5.862 8.824 44 H GLN 7 H GLN 7 5.941 -7.802 6.881 45 HA GLN 7 HA GLN 7 7.617 -6.291 4.980 46 HB2 GLN 7 2HB GLN 7 8.036 -8.492 7.025 47 HB3 GLN 7 3HB GLN 7 9.321 -8.095 5.882 48 HG2 GLN 7 2HG GLN 7 8.013 -6.006 7.660 49 HG3 GLN 7 3HG GLN 7 9.440 -6.944 8.179 50 HE21 GLN 7 1HE2 GLN 7 8.236 -4.593 5.834 51 HE22 GLN 7 2HE2 GLN 7 9.666 -4.730 4.878 52 H ASP 8 H ASP 8 6.812 -9.601 5.413 53 HA ASP 8 HA ASP 8 7.380 -10.772 2.974 54 HB2 ASP 8 2HB ASP 8 6.512 -11.847 5.061 55 HB3 ASP 8 3HB ASP 8 4.894 -11.193 4.702 56 H PHE 9 H PHE 9 4.337 -8.998 3.782 57 HA PHE 9 HA PHE 9 3.174 -9.153 1.189 58 HB2 PHE 9 2HB PHE 9 1.898 -8.300 3.273 59 HB3 PHE 9 3HB PHE 9 3.023 -6.960 3.297 60 HD1 PHE 9 1HD PHE 9 0.549 -8.545 0.936 61 HD2 PHE 9 2HD PHE 9 2.772 -5.038 2.044 62 HE1 PHE 9 1HE PHE 9 -0.441 -7.263 -0.981 63 HE2 PHE 9 2HE PHE 9 1.824 -3.820 0.138 64 HZ PHE 9 HZ PHE 9 0.184 -4.920 -1.380 65 H VAL 10 H VAL 10 5.159 -6.563 2.648 66 HA VAL 10 HA VAL 10 5.053 -4.803 0.406 67 HB VAL 10 HB VAL 10 7.004 -5.012 2.692 68 HG11 VAL 10 1HG1 VAL 10 8.427 -4.081 0.952 69 HG12 VAL 10 2HG1 VAL 10 7.156 -2.947 0.450 70 HG13 VAL 10 3HG1 VAL 10 7.940 -2.783 2.033 71 HG21 VAL 10 1HG2 VAL 10 4.604 -4.057 2.909 72 HG22 VAL 10 2HG2 VAL 10 5.923 -2.997 3.452 73 HG23 VAL 10 3HG2 VAL 10 5.151 -2.736 1.882 74 H VAL 11 H VAL 11 7.643 -7.223 1.133 75 HA VAL 11 HA VAL 11 9.054 -6.542 -1.244 76 HB VAL 11 HB VAL 11 10.028 -9.089 -0.601 77 HG11 VAL 11 1HG1 VAL 11 11.302 -7.156 -1.494 78 HG12 VAL 11 2HG1 VAL 11 11.042 -6.239 0.007 79 HG13 VAL 11 3HG1 VAL 11 12.044 -7.715 0.011 80 HG21 VAL 11 1HG2 VAL 11 8.983 -8.862 1.601 81 HG22 VAL 11 2HG2 VAL 11 10.737 -8.663 1.742 82 HG23 VAL 11 3HG2 VAL 11 9.695 -7.216 1.758 83 H ASP 12 H ASP 12 6.320 -8.457 -1.038 84 HA ASP 12 HA ASP 12 6.685 -9.886 -3.488 85 HB2 ASP 12 2HB ASP 12 4.792 -9.942 -1.644 86 HB3 ASP 12 3HB ASP 12 4.018 -8.711 -2.640 87 H ILE 13 H ILE 13 5.492 -6.557 -2.881 88 HA ILE 13 HA ILE 13 5.167 -5.636 -5.769 89 HB ILE 13 HB ILE 13 5.368 -4.158 -3.175 90 HG12 ILE 13 2HG1 ILE 13 3.024 -3.594 -3.621 91 HG13 ILE 13 3HG1 ILE 13 2.995 -4.685 -5.006 92 HG21 ILE 13 1HG2 ILE 13 4.924 -3.378 -6.109 93 HG22 ILE 13 2HG2 ILE 13 4.640 -2.284 -4.750 94 HG23 ILE 13 3HG2 ILE 13 6.256 -2.847 -5.076 95 HD11 ILE 13 1HD1 ILE 13 1.858 -5.525 -2.954 96 HD12 ILE 13 2HD1 ILE 13 3.101 -6.615 -3.546 97 HD13 ILE 13 3HD1 ILE 13 3.434 -5.573 -2.126 98 H LEU 14 H LEU 14 7.611 -5.453 -3.096 99 HA LEU 14 HA LEU 14 9.074 -3.579 -4.522 100 HB2 LEU 14 2HB LEU 14 9.039 -4.612 -1.858 101 HB3 LEU 14 3HB LEU 14 10.571 -5.047 -2.442 102 HG LEU 14 HG LEU 14 9.410 -2.253 -2.218 103 HD11 LEU 14 1HD1 LEU 14 11.366 -1.866 -0.780 104 HD12 LEU 14 2HD1 LEU 14 11.951 -3.516 -1.092 105 HD13 LEU 14 3HD1 LEU 14 10.436 -3.259 -0.198 106 HD21 LEU 14 1HD2 LEU 14 10.481 -2.087 -4.298 107 HD22 LEU 14 2HD2 LEU 14 11.830 -3.154 -3.810 108 HD23 LEU 14 3HD2 LEU 14 11.708 -1.519 -3.158 109 H LEU 15 H LEU 15 9.928 -7.019 -4.005 110 HA LEU 15 HA LEU 15 12.197 -6.698 -5.931 111 HB2 LEU 15 2HB LEU 15 11.605 -8.652 -3.694 112 HB3 LEU 15 3HB LEU 15 12.605 -9.170 -5.002 113 HG LEU 15 HG LEU 15 14.341 -7.712 -4.688 114 HD11 LEU 15 1HD1 LEU 15 14.525 -5.935 -3.009 115 HD12 LEU 15 2HD1 LEU 15 12.812 -6.113 -2.606 116 HD13 LEU 15 3HD1 LEU 15 13.295 -5.567 -4.220 117 HD21 LEU 15 1HD2 LEU 15 13.443 -8.601 -1.920 118 HD22 LEU 15 2HD2 LEU 15 15.108 -8.255 -2.429 119 HD23 LEU 15 3HD2 LEU 15 14.236 -9.620 -3.136 120 H ASN 16 H ASN 16 9.235 -8.581 -5.310 121 HA ASN 16 HA ASN 16 9.844 -10.213 -7.649 122 HB2 ASN 16 2HB ASN 16 7.551 -10.369 -5.653 123 HB3 ASN 16 3HB ASN 16 7.682 -11.385 -7.084 124 HD21 ASN 16 1HD2 ASN 16 9.129 -10.624 -3.947 125 HD22 ASN 16 2HD2 ASN 16 9.965 -12.173 -3.794 126 H GLY 17 H GLY 17 8.037 -7.325 -6.933 127 HA2 GLY 17 2HA GLY 17 6.934 -5.902 -8.423 128 HA3 GLY 17 3HA GLY 17 6.725 -7.189 -9.573 129 H ALA 18 H ALA 18 4.836 -5.412 -8.864 130 HA ALA 18 HA ALA 18 2.776 -6.718 -7.219 131 HB1 ALA 18 1HB ALA 18 2.754 -4.229 -9.005 132 HB2 ALA 18 2HB ALA 18 1.463 -4.686 -7.856 133 HB3 ALA 18 3HB ALA 18 3.079 -4.238 -7.252 134 H ARG 19 H ARG 19 0.577 -6.638 -8.352 135 HA ARG 19 HA ARG 19 -0.041 -7.507 -11.072 136 HB2 ARG 19 2HB ARG 19 -1.153 -5.772 -8.897 137 HB3 ARG 19 3HB ARG 19 -1.820 -5.597 -10.476 138 HG2 ARG 19 2HG ARG 19 -3.016 -7.050 -8.937 139 HG3 ARG 19 3HG ARG 19 -2.789 -7.676 -10.544 140 HD2 ARG 19 2HD ARG 19 -1.032 -8.550 -8.219 141 HD3 ARG 19 3HD ARG 19 -2.570 -9.325 -8.563 142 HE ARG 19 HE ARG 19 -0.102 -9.458 -10.168 143 HH11 ARG 19 1HH1 ARG 19 -3.357 -11.511 -11.329 144 HH12 ARG 19 2HH1 ARG 19 -3.456 -10.587 -9.861 145 HH21 ARG 19 1HH2 ARG 19 -1.613 -11.318 -12.704 146 HH22 ARG 19 2HH2 ARG 19 -0.142 -10.523 -12.173 147 H ASP 20 H ASP 20 -1.065 -5.739 -12.354 148 HA ASP 20 HA ASP 20 0.568 -4.438 -14.063 149 HB2 ASP 20 2HB ASP 20 -2.299 -4.231 -13.031 150 HB3 ASP 20 3HB ASP 20 -1.743 -3.252 -14.371 151 H TRP 21 H TRP 21 0.645 -3.444 -10.937 152 HA TRP 21 HA TRP 21 0.571 -0.583 -11.343 153 HB2 TRP 21 2HB TRP 21 1.604 -2.081 -8.875 154 HB3 TRP 21 3HB TRP 21 1.189 -0.420 -9.054 155 HD1 TRP 21 1HD TRP 21 -1.307 -3.174 -10.291 156 HE1 TRP 21 1HE TRP 21 -3.525 -2.776 -9.172 157 HE3 TRP 21 3HE TRP 21 0.124 0.504 -7.085 158 HZ2 TRP 21 2HZ TRP 21 -4.634 -0.926 -7.252 159 HZ3 TRP 21 3HZ TRP 21 -1.612 1.682 -5.688 160 HH2 TRP 21 2HH TRP 21 -3.906 0.849 -5.657 161 H ASP 22 H ASP 22 2.345 0.746 -10.766 162 HA ASP 22 HA ASP 22 4.951 -0.206 -11.863 163 HB2 ASP 22 2HB ASP 22 3.792 1.695 -13.075 164 HB3 ASP 22 3HB ASP 22 4.117 2.689 -11.669 165 H VAL 23 H VAL 23 6.779 1.050 -10.417 166 HA VAL 23 HA VAL 23 6.070 0.126 -7.718 167 HB VAL 23 HB VAL 23 8.601 -0.741 -9.228 168 HG11 VAL 23 1HG1 VAL 23 7.877 -1.108 -6.283 169 HG12 VAL 23 2HG1 VAL 23 9.260 -1.875 -7.104 170 HG13 VAL 23 3HG1 VAL 23 9.211 -0.109 -6.929 171 HG21 VAL 23 1HG2 VAL 23 6.660 -2.200 -9.690 172 HG22 VAL 23 2HG2 VAL 23 7.831 -3.045 -8.688 173 HG23 VAL 23 3HG2 VAL 23 6.365 -2.381 -7.961 174 H LEU 24 H LEU 24 5.973 1.736 -6.838 175 HA LEU 24 HA LEU 24 7.847 4.012 -7.282 176 HB2 LEU 24 2HB LEU 24 4.866 3.815 -7.293 177 HB3 LEU 24 3HB LEU 24 5.573 5.157 -6.673 178 HG LEU 24 HG LEU 24 4.809 5.609 -8.883 179 HD11 LEU 24 1HD1 LEU 24 7.826 5.767 -8.653 180 HD12 LEU 24 2HD1 LEU 24 6.658 6.852 -7.866 181 HD13 LEU 24 3HD1 LEU 24 6.775 6.809 -9.639 182 HD21 LEU 24 1HD2 LEU 24 5.832 4.712 -10.867 183 HD22 LEU 24 2HD2 LEU 24 5.263 3.372 -9.861 184 HD23 LEU 24 3HD2 LEU 24 6.998 3.770 -9.917 185 H GLN 25 H GLN 25 8.929 3.902 -5.622 186 HA GLN 25 HA GLN 25 7.651 4.095 -2.925 187 HB2 GLN 25 2HB GLN 25 10.536 3.628 -3.695 188 HB3 GLN 25 3HB GLN 25 10.063 4.251 -2.113 189 HG2 GLN 25 2HG GLN 25 9.553 2.213 -1.413 190 HG3 GLN 25 3HG GLN 25 8.285 2.063 -2.602 191 HE21 GLN 25 1HE2 GLN 25 8.665 0.873 -4.579 192 HE22 GLN 25 2HE2 GLN 25 10.158 -0.043 -4.759 193 H THR 26 H THR 26 6.595 5.819 -3.286 194 HA THR 26 HA THR 26 8.121 8.324 -2.883 195 HB THR 26 HB THR 26 7.170 8.519 -5.049 196 HG1 THR 26 1HG THR 26 7.005 10.406 -4.290 197 HG21 THR 26 1HG2 THR 26 5.324 6.934 -5.137 198 HG22 THR 26 2HG2 THR 26 4.760 8.579 -5.520 199 HG23 THR 26 3HG2 THR 26 4.459 7.906 -3.907 200 H THR 27 H THR 27 5.985 9.781 -1.915 201 HA THR 27 HA THR 27 4.921 8.189 0.394 202 HB THR 27 HB THR 27 5.479 9.886 2.086 203 HG1 THR 27 1HG THR 27 5.949 11.556 0.552 204 HG21 THR 27 1HG2 THR 27 7.819 9.234 2.461 205 HG22 THR 27 2HG2 THR 27 7.955 8.610 0.810 206 HG23 THR 27 3HG2 THR 27 6.865 7.852 1.969 207 H CYS 28 H CYS 28 3.048 8.883 0.935 208 HA CYS 28 HA CYS 28 1.842 11.256 -0.408 209 HB2 CYS 28 2HB CYS 28 0.694 9.551 -1.227 210 HB3 CYS 28 3HB CYS 28 0.884 8.481 0.266 211 HG CYS 28 HG CYS 28 -1.646 9.113 -0.375 212 H THR 29 H THR 29 0.334 12.242 0.843 213 HA THR 29 HA THR 29 0.470 12.221 3.832 214 HB THR 29 HB THR 29 0.311 14.684 2.617 215 HG1 THR 29 1HG THR 29 2.202 14.810 1.990 216 HG21 THR 29 1HG2 THR 29 1.357 15.486 4.728 217 HG22 THR 29 2HG2 THR 29 1.094 13.833 5.265 218 HG23 THR 29 3HG2 THR 29 -0.348 14.833 4.859 219 H VAL 30 H VAL 30 -1.396 11.705 4.580 220 HA VAL 30 HA VAL 30 -3.719 13.205 3.766 221 HB VAL 30 HB VAL 30 -3.561 10.230 3.125 222 HG11 VAL 30 1HG1 VAL 30 -6.068 12.013 3.363 223 HG12 VAL 30 2HG1 VAL 30 -6.014 10.476 2.483 224 HG13 VAL 30 3HG1 VAL 30 -5.699 10.475 4.211 225 HG21 VAL 30 1HG2 VAL 30 -4.573 11.008 0.923 226 HG22 VAL 30 2HG2 VAL 30 -4.405 12.686 1.454 227 HG23 VAL 30 3HG2 VAL 30 -2.983 11.664 1.199 228 H ASP 31 H ASP 31 -5.455 13.075 5.242 229 HA ASP 31 HA ASP 31 -6.419 12.983 7.256 230 HB2 ASP 31 2HB ASP 31 -5.590 10.395 6.693 231 HB3 ASP 31 3HB ASP 31 -5.007 10.596 8.286 232 H ARG 32 H ARG 32 -3.729 14.104 7.007 233 HA ARG 32 HA ARG 32 -2.291 15.450 8.286 234 HB2 ARG 32 2HB ARG 32 -3.406 14.224 10.845 235 HB3 ARG 32 3HB ARG 32 -2.276 15.549 10.736 236 HG2 ARG 32 2HG ARG 32 -3.890 16.996 9.782 237 HG3 ARG 32 3HG ARG 32 -5.159 15.735 9.711 238 HD2 ARG 32 2HD ARG 32 -5.425 15.613 12.025 239 HD3 ARG 32 3HD ARG 32 -3.810 16.254 12.377 240 HE ARG 32 HE ARG 32 -4.722 18.468 11.490 241 HH11 ARG 32 1HH1 ARG 32 -7.614 17.644 14.117 242 HH12 ARG 32 2HH1 ARG 32 -6.674 16.275 13.556 243 HH21 ARG 32 1HH2 ARG 32 -7.172 19.722 13.491 244 HH22 ARG 32 2HH2 ARG 32 -5.834 20.067 12.423 245 H LYS 33 H LYS 33 -2.172 12.451 7.541 246 HA LYS 33 HA LYS 33 0.278 11.624 9.188 247 HB2 LYS 33 2HB LYS 33 -1.449 10.114 9.865 248 HB3 LYS 33 3HB LYS 33 -2.062 9.983 8.203 249 HG2 LYS 33 2HG LYS 33 -0.391 8.561 7.600 250 HG3 LYS 33 3HG LYS 33 0.752 9.208 8.852 251 HD2 LYS 33 2HD LYS 33 -0.787 8.442 10.672 252 HD3 LYS 33 3HD LYS 33 -1.759 7.643 9.439 253 HE2 LYS 33 2HE LYS 33 -0.379 6.544 10.834 254 HE3 LYS 33 3HE LYS 33 -0.077 6.028 9.126 255 HZ1 LYS 33 1HZ LYS 33 1.822 7.489 10.808 256 HZ2 LYS 33 2HZ LYS 33 1.882 7.473 9.135 257 HZ3 LYS 33 3HZ LYS 33 1.989 6.081 9.970 258 H VAL 34 H VAL 34 1.866 10.598 7.933 259 HA VAL 34 HA VAL 34 1.703 10.907 4.938 260 HB VAL 34 HB VAL 34 3.915 10.929 6.815 261 HG11 VAL 34 1HG1 VAL 34 5.598 11.009 5.031 262 HG12 VAL 34 2HG1 VAL 34 4.686 9.481 4.944 263 HG13 VAL 34 3HG1 VAL 34 4.288 10.836 3.840 264 HG21 VAL 34 1HG2 VAL 34 2.962 13.135 6.511 265 HG22 VAL 34 2HG2 VAL 34 4.635 13.048 5.892 266 HG23 VAL 34 3HG2 VAL 34 3.284 12.966 4.763 267 H TYR 35 H TYR 35 2.007 9.084 3.771 268 HA TYR 35 HA TYR 35 2.646 6.548 5.178 269 HB2 TYR 35 2HB TYR 35 0.742 6.925 2.815 270 HB3 TYR 35 3HB TYR 35 1.093 5.419 3.751 271 HD1 TYR 35 1HD TYR 35 0.375 5.085 6.024 272 HD2 TYR 35 2HD TYR 35 -0.660 8.617 3.813 273 HE1 TYR 35 1HE TYR 35 -1.608 5.565 7.533 274 HE2 TYR 35 2HE TYR 35 -2.653 9.025 5.322 275 HH TYR 35 HH TYR 35 -3.913 8.222 7.037 276 H LYS 36 H LYS 36 3.921 5.161 3.970 277 HA LYS 36 HA LYS 36 5.273 6.419 1.637 278 HB2 LYS 36 2HB LYS 36 6.439 4.054 2.881 279 HB3 LYS 36 3HB LYS 36 7.128 5.479 2.266 280 HG2 LYS 36 2HG LYS 36 6.572 6.734 4.315 281 HG3 LYS 36 3HG LYS 36 5.893 5.256 5.014 282 HD2 LYS 36 2HD LYS 36 8.795 5.635 4.087 283 HD3 LYS 36 3HD LYS 36 8.245 5.779 5.755 284 HE2 LYS 36 2HE LYS 36 7.573 3.445 5.844 285 HE3 LYS 36 3HE LYS 36 7.883 3.243 4.106 286 HZ1 LYS 36 1HZ LYS 36 9.708 2.430 5.587 287 HZ2 LYS 36 2HZ LYS 36 10.028 3.990 6.005 288 HZ3 LYS 36 3HZ LYS 36 10.182 3.485 4.426 289 H THR 37 H THR 37 5.215 5.562 -0.357 290 HA THR 37 HA THR 37 3.110 3.582 -0.792 291 HB THR 37 HB THR 37 2.910 4.394 -2.946 292 HG1 THR 37 1HG THR 37 5.031 4.503 -3.603 293 HG21 THR 37 1HG2 THR 37 3.771 6.928 -1.483 294 HG22 THR 37 2HG2 THR 37 2.236 6.132 -1.161 295 HG23 THR 37 3HG2 THR 37 2.573 6.775 -2.775 296 H ILE 38 H ILE 38 3.435 1.843 -2.177 297 HA ILE 38 HA ILE 38 6.299 1.039 -2.647 298 HB ILE 38 HB ILE 38 4.061 -0.945 -3.137 299 HG12 ILE 38 2HG1 ILE 38 4.831 -0.002 -0.285 300 HG13 ILE 38 3HG1 ILE 38 3.230 -0.061 -1.006 301 HG21 ILE 38 1HG2 ILE 38 5.993 -2.403 -2.176 302 HG22 ILE 38 2HG2 ILE 38 6.674 -1.282 -3.355 303 HG23 ILE 38 3HG2 ILE 38 6.821 -0.955 -1.632 304 HD11 ILE 38 1HD1 ILE 38 3.384 -1.921 0.496 305 HD12 ILE 38 2HD1 ILE 38 3.294 -2.521 -1.187 306 HD13 ILE 38 3HD1 ILE 38 4.843 -2.530 -0.325 307 H CYS 39 H CYS 39 3.105 1.272 -4.005 308 HA CYS 39 HA CYS 39 4.191 1.210 -6.706 309 HB2 CYS 39 2HB CYS 39 2.673 -0.844 -7.239 310 HB3 CYS 39 3HB CYS 39 3.919 -0.943 -6.614 311 HG CYS 39 HG CYS 39 0.987 -0.537 -5.084 312 H LYS 40 H LYS 40 3.060 2.200 -8.146 313 HA LYS 40 HA LYS 40 0.548 3.243 -7.259 314 HB2 LYS 40 2HB LYS 40 2.564 4.821 -7.564 315 HB3 LYS 40 3HB LYS 40 2.653 4.261 -9.248 316 HG2 LYS 40 2HG LYS 40 0.132 5.661 -8.532 317 HG3 LYS 40 3HG LYS 40 1.657 6.534 -8.478 318 HD2 LYS 40 2HD LYS 40 2.251 5.840 -10.766 319 HD3 LYS 40 3HD LYS 40 0.686 5.029 -10.785 320 HE2 LYS 40 2HE LYS 40 0.337 7.130 -11.943 321 HE3 LYS 40 3HE LYS 40 -0.344 7.357 -10.337 322 HZ1 LYS 40 1HZ LYS 40 1.052 9.231 -11.077 323 HZ2 LYS 40 2HZ LYS 40 2.365 8.284 -11.081 324 HZ3 LYS 40 3HZ LYS 40 1.555 8.598 -9.673 325 H ARG 41 H ARG 41 -1.212 3.232 -8.493 326 HA ARG 41 HA ARG 41 -0.906 2.626 -11.348 327 HB2 ARG 41 2HB ARG 41 -1.345 0.408 -10.325 328 HB3 ARG 41 3HB ARG 41 -2.862 1.060 -9.645 329 HG2 ARG 41 2HG ARG 41 -2.895 1.760 -12.397 330 HG3 ARG 41 3HG ARG 41 -2.140 0.239 -12.432 331 HD2 ARG 41 2HD ARG 41 -3.950 -0.773 -11.100 332 HD3 ARG 41 3HD ARG 41 -4.732 0.800 -10.913 333 HE ARG 41 HE ARG 41 -4.368 0.100 -13.695 334 HH11 ARG 41 1HH1 ARG 41 -7.909 -0.717 -12.000 335 HH12 ARG 41 2HH1 ARG 41 -6.593 -0.454 -10.892 336 HH21 ARG 41 1HH2 ARG 41 -7.646 -0.689 -14.237 337 HH22 ARG 41 2HH2 ARG 41 -6.058 -0.392 -14.920 338 H GLY 42 H GLY 42 -1.793 4.232 -12.190 339 HA2 GLY 42 2HA GLY 42 -3.501 5.655 -12.835 340 HA3 GLY 42 3HA GLY 42 -4.594 4.832 -11.741 341 H ASN 43 H ASN 43 -5.415 6.155 -10.394 342 HA ASN 43 HA ASN 43 -3.878 8.379 -9.163 343 HB2 ASN 43 2HB ASN 43 -5.953 9.170 -8.334 344 HB3 ASN 43 3HB ASN 43 -6.084 8.841 -10.059 345 HD21 ASN 43 1HD2 ASN 43 -6.486 5.798 -8.202 346 HD22 ASN 43 2HD2 ASN 43 -8.223 5.921 -8.299 347 H THR 44 H THR 44 -3.943 5.198 -8.626 348 HA THR 44 HA THR 44 -4.127 5.525 -5.652 349 HB THR 44 HB THR 44 -5.891 4.220 -6.350 350 HG1 THR 44 1HG THR 44 -5.618 3.337 -4.542 351 HG21 THR 44 1HG2 THR 44 -5.635 1.845 -7.075 352 HG22 THR 44 2HG2 THR 44 -4.027 2.337 -7.684 353 HG23 THR 44 3HG2 THR 44 -5.512 3.107 -8.283 354 H TYR 45 H TYR 45 -2.798 4.141 -4.374 355 HA TYR 45 HA TYR 45 -0.062 3.940 -5.081 356 HB2 TYR 45 2HB TYR 45 -1.110 6.217 -3.368 357 HB3 TYR 45 3HB TYR 45 0.548 5.610 -3.331 358 HD1 TYR 45 1HD TYR 45 -2.020 7.118 -5.500 359 HD2 TYR 45 2HD TYR 45 2.158 6.333 -4.945 360 HE1 TYR 45 1HE TYR 45 -1.444 8.918 -7.209 361 HE2 TYR 45 2HE TYR 45 2.754 8.040 -6.631 362 HH TYR 45 HH TYR 45 0.397 10.285 -8.026 363 H LEU 46 H LEU 46 0.110 2.137 -4.017 364 HA LEU 46 HA LEU 46 -1.563 1.542 -1.645 365 HB2 LEU 46 2HB LEU 46 -0.290 0.065 -3.851 366 HB3 LEU 46 3HB LEU 46 0.460 -0.277 -2.452 367 HG LEU 46 HG LEU 46 -1.239 -1.923 -2.872 368 HD11 LEU 46 1HD1 LEU 46 -1.034 -1.738 -0.512 369 HD12 LEU 46 2HD1 LEU 46 -2.755 -1.999 -0.978 370 HD13 LEU 46 3HD1 LEU 46 -2.182 -0.383 -0.463 371 HD21 LEU 46 1HD2 LEU 46 -2.771 -0.467 -4.084 372 HD22 LEU 46 2HD2 LEU 46 -3.202 0.372 -2.558 373 HD23 LEU 46 3HD2 LEU 46 -3.644 -1.328 -2.833 374 H CYS 47 H CYS 47 -0.767 2.036 0.292 375 HA CYS 47 HA CYS 47 2.155 2.470 0.640 376 HB2 CYS 47 2HB CYS 47 0.085 4.101 2.188 377 HB3 CYS 47 3HB CYS 47 1.738 4.507 1.767 378 HG CYS 47 HG CYS 47 -0.363 5.972 0.695 379 H PHE 48 H PHE 48 2.774 2.524 2.966 380 HA PHE 48 HA PHE 48 1.048 0.778 4.640 381 HB2 PHE 48 2HB PHE 48 2.769 -0.783 5.047 382 HB3 PHE 48 3HB PHE 48 2.679 -0.598 3.310 383 HD1 PHE 48 1HD PHE 48 4.351 0.746 2.055 384 HD2 PHE 48 2HD PHE 48 4.781 -0.396 6.159 385 HE1 PHE 48 1HE PHE 48 6.807 1.038 1.853 386 HE2 PHE 48 2HE PHE 48 7.205 -0.135 6.021 387 HZ PHE 48 HZ PHE 48 8.285 0.508 3.821 388 H ASP 49 H ASP 49 1.496 0.637 6.794 389 HA ASP 49 HA ASP 49 3.458 2.645 7.906 390 HB2 ASP 49 2HB ASP 49 0.908 1.676 9.206 391 HB3 ASP 49 3HB ASP 49 2.088 2.640 10.035 392 H ASP 50 H ASP 50 3.287 1.662 10.417 393 HA ASP 50 HA ASP 50 4.809 -0.729 10.142 394 HB2 ASP 50 2HB ASP 50 3.883 0.807 12.601 395 HB3 ASP 50 3HB ASP 50 4.964 -0.538 12.706 396 H THR 51 H THR 51 1.656 -0.324 10.277 397 HA THR 51 HA THR 51 0.931 -2.400 12.226 398 HB THR 51 HB THR 51 -1.092 -0.406 11.365 399 HG1 THR 51 1HG THR 51 0.019 1.269 12.568 400 HG21 THR 51 1HG2 THR 51 -1.303 -0.084 13.760 401 HG22 THR 51 2HG2 THR 51 0.237 -0.944 14.037 402 HG23 THR 51 3HG2 THR 51 -1.198 -1.811 13.419 403 H ASN 52 H ASN 52 0.557 -1.639 8.887 404 HA ASN 52 HA ASN 52 -1.049 -3.353 7.772 405 HB2 ASN 52 2HB ASN 52 -3.204 -2.298 7.654 406 HB3 ASN 52 3HB ASN 52 -2.970 -3.170 9.159 407 HD21 ASN 52 1HD2 ASN 52 -3.133 -0.005 7.588 408 HD22 ASN 52 2HD2 ASN 52 -3.409 0.934 9.045 409 H LEU 53 H LEU 53 -2.442 -2.201 5.960 410 HA LEU 53 HA LEU 53 -0.659 -0.146 4.737 411 HB2 LEU 53 2HB LEU 53 -1.965 -2.657 3.642 412 HB3 LEU 53 3HB LEU 53 -1.660 -1.297 2.577 413 HG LEU 53 HG LEU 53 0.731 -1.273 3.673 414 HD11 LEU 53 1HD1 LEU 53 0.503 -3.023 5.337 415 HD12 LEU 53 2HD1 LEU 53 1.475 -3.683 4.012 416 HD13 LEU 53 3HD1 LEU 53 -0.265 -4.060 4.103 417 HD21 LEU 53 1HD2 LEU 53 1.570 -2.736 2.011 418 HD22 LEU 53 2HD2 LEU 53 0.242 -1.800 1.298 419 HD23 LEU 53 3HD2 LEU 53 -0.032 -3.496 1.838 420 H TYR 54 H TYR 54 -1.815 0.921 2.762 421 HA TYR 54 HA TYR 54 -4.616 1.427 3.229 422 HB2 TYR 54 2HB TYR 54 -2.861 3.887 3.256 423 HB3 TYR 54 3HB TYR 54 -4.551 3.746 3.521 424 HD1 TYR 54 1HD TYR 54 -5.285 4.115 5.636 425 HD2 TYR 54 2HD TYR 54 -1.404 2.402 5.152 426 HE1 TYR 54 1HE TYR 54 -5.007 4.082 8.093 427 HE2 TYR 54 2HE TYR 54 -1.265 1.982 7.636 428 HH TYR 54 HH TYR 54 -3.605 3.513 9.850 429 H ALA 55 H ALA 55 -5.561 1.939 1.197 430 HA ALA 55 HA ALA 55 -3.644 2.639 -1.039 431 HB1 ALA 55 1HB ALA 55 -5.189 0.704 -1.539 432 HB2 ALA 55 2HB ALA 55 -6.574 1.754 -1.178 433 HB3 ALA 55 3HB ALA 55 -5.511 2.127 -2.553 434 H ILE 56 H ILE 56 -3.328 4.714 -1.174 435 HA ILE 56 HA ILE 56 -5.593 6.540 -0.461 436 HB ILE 56 HB ILE 56 -2.700 7.135 -0.971 437 HG12 ILE 56 2HG1 ILE 56 -3.489 8.413 1.364 438 HG13 ILE 56 3HG1 ILE 56 -4.547 7.046 1.409 439 HG21 ILE 56 1HG2 ILE 56 -4.108 8.890 -2.082 440 HG22 ILE 56 2HG2 ILE 56 -5.152 8.970 -0.641 441 HG23 ILE 56 3HG2 ILE 56 -3.502 9.566 -0.557 442 HD11 ILE 56 1HD1 ILE 56 -1.515 7.004 1.386 443 HD12 ILE 56 2HD1 ILE 56 -2.600 6.594 2.712 444 HD13 ILE 56 3HD1 ILE 56 -2.530 5.538 1.298 445 H THR 57 H THR 57 -6.977 6.202 -1.963 446 HA THR 57 HA THR 57 -6.177 6.152 -4.843 447 HB THR 57 HB THR 57 -8.747 5.371 -3.404 448 HG1 THR 57 1HG THR 57 -7.997 3.286 -4.056 449 HG21 THR 57 1HG2 THR 57 -9.128 6.097 -5.806 450 HG22 THR 57 2HG2 THR 57 -9.453 4.369 -5.500 451 HG23 THR 57 3HG2 THR 57 -7.942 4.853 -6.284 452 H GLY 58 H GLY 58 -5.891 8.189 -5.458 453 HA2 GLY 58 2HA GLY 58 -6.326 10.329 -6.173 454 HA3 GLY 58 3HA GLY 58 -7.986 10.185 -5.599 455 H ASP 59 H ASP 59 -7.734 9.700 -3.158 456 HA ASP 59 HA ASP 59 -6.264 11.286 -1.241 457 HB2 ASP 59 2HB ASP 59 -8.188 12.970 -0.868 458 HB3 ASP 59 3HB ASP 59 -7.045 13.246 -2.195 459 H VAL 60 H VAL 60 -8.510 8.928 -2.017 460 HA VAL 60 HA VAL 60 -9.939 8.794 0.533 461 HB VAL 60 HB VAL 60 -9.813 6.915 -1.876 462 HG11 VAL 60 1HG1 VAL 60 -11.497 6.679 0.647 463 HG12 VAL 60 2HG1 VAL 60 -11.776 5.753 -0.831 464 HG13 VAL 60 3HG1 VAL 60 -10.292 5.521 0.058 465 HG21 VAL 60 1HG2 VAL 60 -12.023 8.797 -0.980 466 HG22 VAL 60 2HG2 VAL 60 -10.986 8.973 -2.421 467 HG23 VAL 60 3HG2 VAL 60 -12.127 7.631 -2.317 468 H VAL 61 H VAL 61 -8.508 8.433 2.113 469 HA VAL 61 HA VAL 61 -6.443 6.385 1.879 470 HB VAL 61 HB VAL 61 -6.183 8.391 3.075 471 HG11 VAL 61 1HG1 VAL 61 -7.968 7.325 5.320 472 HG12 VAL 61 2HG1 VAL 61 -7.106 8.860 5.299 473 HG13 VAL 61 3HG1 VAL 61 -8.458 8.592 4.175 474 HG21 VAL 61 1HG2 VAL 61 -4.919 7.512 4.958 475 HG22 VAL 61 2HG2 VAL 61 -5.927 6.057 5.008 476 HG23 VAL 61 3HG2 VAL 61 -4.831 6.331 3.642 477 H LEU 62 H LEU 62 -7.435 4.558 1.264 478 HA LEU 62 HA LEU 62 -9.509 3.416 3.039 479 HB2 LEU 62 2HB LEU 62 -9.619 3.382 0.503 480 HB3 LEU 62 3HB LEU 62 -8.289 2.308 0.484 481 HG LEU 62 HG LEU 62 -9.981 0.788 0.324 482 HD11 LEU 62 1HD1 LEU 62 -10.711 -0.297 2.412 483 HD12 LEU 62 2HD1 LEU 62 -10.089 1.075 3.363 484 HD13 LEU 62 3HD1 LEU 62 -8.980 0.040 2.419 485 HD21 LEU 62 1HD2 LEU 62 -11.755 2.567 2.065 486 HD22 LEU 62 2HD2 LEU 62 -12.278 1.092 1.210 487 HD23 LEU 62 3HD2 LEU 62 -11.758 2.514 0.284 488 H LYS 63 H LYS 63 -8.151 3.300 4.899 489 HA LYS 63 HA LYS 63 -5.932 1.676 5.281 490 HB2 LYS 63 2HB LYS 63 -8.035 1.089 7.283 491 HB3 LYS 63 3HB LYS 63 -6.384 1.645 7.460 492 HG2 LYS 63 2HG LYS 63 -7.120 3.964 7.276 493 HG3 LYS 63 3HG LYS 63 -8.747 3.423 6.817 494 HD2 LYS 63 2HD LYS 63 -8.418 4.123 9.289 495 HD3 LYS 63 3HD LYS 63 -9.244 2.598 8.966 496 HE2 LYS 63 2HE LYS 63 -7.115 1.350 9.381 497 HE3 LYS 63 3HE LYS 63 -6.320 2.876 9.817 498 HZ1 LYS 63 1HZ LYS 63 -8.710 1.809 11.218 499 HZ2 LYS 63 2HZ LYS 63 -7.708 2.983 11.789 500 HZ3 LYS 63 3HZ LYS 63 -7.166 1.441 11.658 501 H PHE 64 H PHE 64 -5.450 -0.418 5.292 502 HA PHE 64 HA PHE 64 -7.548 -2.439 4.729 503 HB2 PHE 64 2HB PHE 64 -4.555 -2.588 4.694 504 HB3 PHE 64 3HB PHE 64 -5.583 -3.904 4.507 505 HD1 PHE 64 1HD PHE 64 -7.672 -3.353 2.666 506 HD2 PHE 64 2HD PHE 64 -3.835 -1.432 2.801 507 HE1 PHE 64 1HE PHE 64 -7.941 -2.626 0.323 508 HE2 PHE 64 2HE PHE 64 -4.133 -0.649 0.489 509 HZ PHE 64 HZ PHE 64 -6.159 -1.257 -0.760 510 H ALA 65 H ALA 65 -8.294 -3.734 6.328 511 HA ALA 65 HA ALA 65 -7.356 -3.567 9.085 512 HB1 ALA 65 1HB ALA 65 -9.022 -5.280 9.451 513 HB2 ALA 65 2HB ALA 65 -9.728 -4.042 8.381 514 HB3 ALA 65 3HB ALA 65 -9.139 -5.616 7.726 515 H THR 66 H THR 66 -5.576 -4.897 6.606 516 HA THR 66 HA THR 66 -4.311 -6.820 8.315 517 HB THR 66 HB THR 66 -4.846 -7.766 5.571 518 HG1 THR 66 1HG THR 66 -6.776 -7.724 7.711 519 HG21 THR 66 1HG2 THR 66 -5.252 -9.923 6.622 520 HG22 THR 66 2HG2 THR 66 -5.032 -9.190 8.236 521 HG23 THR 66 3HG2 THR 66 -3.660 -9.251 7.076 522 H VAL 67 H VAL 67 -2.517 -7.607 6.887 523 HA VAL 67 HA VAL 67 -1.589 -5.480 5.084 524 HB VAL 67 HB VAL 67 -0.400 -8.244 5.467 525 HG11 VAL 67 1HG1 VAL 67 1.567 -6.934 4.929 526 HG12 VAL 67 2HG1 VAL 67 0.220 -6.319 3.842 527 HG13 VAL 67 3HG1 VAL 67 0.698 -5.448 5.346 528 HG21 VAL 67 1HG2 VAL 67 0.123 -5.884 7.276 529 HG22 VAL 67 2HG2 VAL 67 -0.375 -7.548 7.763 530 HG23 VAL 67 3HG2 VAL 67 1.199 -7.269 6.937 531 H SER 68 H SER 68 -2.392 -8.990 4.884 532 HA SER 68 HA SER 68 -2.009 -9.276 2.199 533 HB2 SER 68 2HB SER 68 -4.114 -10.768 3.812 534 HB3 SER 68 3HB SER 68 -3.144 -11.379 2.438 535 HG SER 68 HG SER 68 -1.639 -11.874 3.863 536 H LYS 69 H LYS 69 -4.735 -7.631 3.643 537 HA LYS 69 HA LYS 69 -6.705 -7.751 1.578 538 HB2 LYS 69 2HB LYS 69 -5.740 -5.323 3.104 539 HB3 LYS 69 3HB LYS 69 -7.326 -5.543 2.355 540 HG2 LYS 69 2HG LYS 69 -6.847 -7.626 4.306 541 HG3 LYS 69 3HG LYS 69 -6.373 -6.049 4.983 542 HD2 LYS 69 2HD LYS 69 -8.644 -6.280 5.584 543 HD3 LYS 69 3HD LYS 69 -8.568 -5.152 4.185 544 HE2 LYS 69 2HE LYS 69 -8.753 -7.375 2.784 545 HE3 LYS 69 3HE LYS 69 -9.108 -8.191 4.255 546 HZ1 LYS 69 1HZ LYS 69 -11.094 -7.430 2.835 547 HZ2 LYS 69 2HZ LYS 69 -10.888 -5.930 3.428 548 HZ3 LYS 69 3HZ LYS 69 -11.175 -7.205 4.440 549 H ALA 70 H ALA 70 -3.914 -5.558 1.956 550 HA ALA 70 HA ALA 70 -4.220 -3.956 -0.311 551 HB1 ALA 70 1HB ALA 70 -2.671 -3.531 1.478 552 HB2 ALA 70 2HB ALA 70 -1.767 -5.034 1.130 553 HB3 ALA 70 3HB ALA 70 -1.719 -3.739 -0.027 554 H ARG 71 H ARG 71 -3.265 -7.347 -0.328 555 HA ARG 71 HA ARG 71 -2.048 -7.244 -3.020 556 HB2 ARG 71 2HB ARG 71 -1.815 -8.951 -0.834 557 HB3 ARG 71 3HB ARG 71 -3.008 -9.816 -1.767 558 HG2 ARG 71 2HG ARG 71 -1.456 -10.483 -3.323 559 HG3 ARG 71 3HG ARG 71 -0.708 -8.903 -3.400 560 HD2 ARG 71 2HD ARG 71 0.911 -10.439 -2.623 561 HD3 ARG 71 3HD ARG 71 0.531 -9.333 -1.289 562 HE ARG 71 HE ARG 71 -1.155 -11.432 -0.807 563 HH11 ARG 71 1HH1 ARG 71 2.608 -12.889 -0.525 564 HH12 ARG 71 2HH1 ARG 71 2.371 -11.502 -1.580 565 HH21 ARG 71 1HH2 ARG 71 1.065 -13.653 0.746 566 HH22 ARG 71 2HH2 ARG 71 -0.586 -13.078 0.710 567 H ALA 72 H ALA 72 -5.165 -8.165 -1.700 568 HA ALA 72 HA ALA 72 -6.300 -8.883 -4.299 569 HB1 ALA 72 1HB ALA 72 -8.274 -9.214 -2.890 570 HB2 ALA 72 2HB ALA 72 -6.846 -9.886 -2.054 571 HB3 ALA 72 3HB ALA 72 -7.508 -8.313 -1.556 572 H TYR 73 H TYR 73 -5.644 -5.952 -2.542 573 HA TYR 73 HA TYR 73 -7.605 -4.203 -3.775 574 HB2 TYR 73 2HB TYR 73 -6.476 -3.628 -1.718 575 HB3 TYR 73 3HB TYR 73 -5.007 -3.309 -2.670 576 HD1 TYR 73 1HD TYR 73 -8.377 -2.068 -1.842 577 HD2 TYR 73 2HD TYR 73 -5.107 -1.668 -4.625 578 HE1 TYR 73 1HE TYR 73 -9.426 -0.030 -2.800 579 HE2 TYR 73 2HE TYR 73 -6.249 0.197 -5.702 580 HH TYR 73 HH TYR 73 -8.404 1.153 -5.902 581 H LEU 74 H LEU 74 -4.217 -4.963 -4.398 582 HA LEU 74 HA LEU 74 -3.774 -3.479 -6.633 583 HB2 LEU 74 2HB LEU 74 -2.656 -5.762 -5.166 584 HB3 LEU 74 3HB LEU 74 -2.373 -6.024 -6.846 585 HG LEU 74 HG LEU 74 -1.089 -3.961 -7.052 586 HD11 LEU 74 1HD1 LEU 74 -2.347 -2.425 -5.576 587 HD12 LEU 74 2HD1 LEU 74 -0.684 -2.523 -5.027 588 HD13 LEU 74 3HD1 LEU 74 -1.965 -3.445 -4.187 589 HD21 LEU 74 1HD2 LEU 74 -0.392 -5.314 -4.407 590 HD22 LEU 74 2HD2 LEU 74 0.708 -4.391 -5.439 591 HD23 LEU 74 3HD2 LEU 74 0.060 -5.946 -6.015 592 H GLU 75 H GLU 75 -5.600 -6.434 -6.645 593 HA GLU 75 HA GLU 75 -5.961 -6.135 -9.615 594 HB2 GLU 75 2HB GLU 75 -6.876 -8.512 -9.459 595 HB3 GLU 75 3HB GLU 75 -5.166 -8.198 -9.356 596 HG2 GLU 75 2HG GLU 75 -5.178 -8.527 -6.934 597 HG3 GLU 75 3HG GLU 75 -6.893 -8.806 -6.935 598 H THR 76 H THR 76 -7.528 -5.037 -7.024 599 HA THR 76 HA THR 76 -10.208 -5.227 -8.348 600 HB THR 76 HB THR 76 -9.718 -4.983 -5.341 601 HG1 THR 76 1HG THR 76 -9.104 -6.943 -5.709 602 HG21 THR 76 1HG2 THR 76 -12.125 -5.707 -7.077 603 HG22 THR 76 2HG2 THR 76 -11.966 -4.285 -6.013 604 HG23 THR 76 3HG2 THR 76 -12.048 -5.909 -5.292 605 H LYS 77 H LYS 77 -9.029 -3.403 -9.380 606 HA LYS 77 HA LYS 77 -8.935 -1.322 -10.147 607 HB2 LYS 77 2HB LYS 77 -11.126 -1.066 -8.229 608 HB3 LYS 77 3HB LYS 77 -10.478 0.424 -8.900 609 HG2 LYS 77 2HG LYS 77 -12.235 -0.040 -10.334 610 HG3 LYS 77 3HG LYS 77 -10.829 -0.609 -11.203 611 HD2 LYS 77 2HD LYS 77 -12.467 -2.210 -11.598 612 HD3 LYS 77 3HD LYS 77 -11.446 -2.993 -10.390 613 HE2 LYS 77 2HE LYS 77 -13.938 -1.383 -9.645 614 HE3 LYS 77 3HE LYS 77 -14.087 -3.065 -10.183 615 HZ1 LYS 77 1HZ LYS 77 -13.950 -2.716 -7.717 616 HZ2 LYS 77 2HZ LYS 77 -12.384 -2.262 -7.873 617 HZ3 LYS 77 3HZ LYS 77 -12.852 -3.797 -8.300 Start of MODEL 13 1 H2 SER 1 2H SER 1 5.279 -7.937 16.667 2 H3 SER 1 3H SER 1 4.194 -8.996 17.358 3 HA SER 1 HA SER 1 4.220 -9.001 14.880 4 HB2 SER 1 2HB SER 1 1.496 -8.246 15.892 5 HB3 SER 1 3HB SER 1 1.957 -9.548 14.777 6 HG SER 1 HG SER 1 1.348 -9.862 17.176 7 H HIS 2 H HIS 2 4.745 -7.441 13.292 8 HA HIS 2 HA HIS 2 3.123 -5.125 12.695 9 HB2 HIS 2 2HB HIS 2 5.209 -3.564 13.394 10 HB3 HIS 2 3HB HIS 2 3.839 -3.852 14.409 11 HD1 HIS 2 1HD HIS 2 4.579 -4.278 16.848 12 HD2 HIS 2 2HD HIS 2 7.110 -6.026 13.983 13 HE1 HIS 2 1HE HIS 2 6.303 -5.671 18.113 14 H MET 3 H MET 3 6.613 -4.867 12.499 15 HA MET 3 HA MET 3 6.984 -5.030 9.681 16 HB2 MET 3 2HB MET 3 8.962 -5.403 11.962 17 HB3 MET 3 3HB MET 3 9.334 -5.041 10.260 18 HG2 MET 3 2HG MET 3 9.343 -2.915 10.957 19 HG3 MET 3 3HG MET 3 7.598 -3.042 10.683 20 HE1 MET 3 1HE MET 3 7.213 -0.888 12.022 21 HE2 MET 3 2HE MET 3 7.917 -0.561 13.606 22 HE3 MET 3 3HE MET 3 8.978 -0.779 12.207 23 H THR 4 H THR 4 5.514 -7.385 10.600 24 HA THR 4 HA THR 4 7.363 -9.567 9.772 25 HB THR 4 HB THR 4 4.802 -9.863 11.284 26 HG1 THR 4 1HG THR 4 7.349 -9.727 12.495 27 HG21 THR 4 1HG2 THR 4 7.252 -11.621 11.015 28 HG22 THR 4 2HG2 THR 4 5.665 -11.888 10.258 29 HG23 THR 4 3HG2 THR 4 5.821 -11.983 12.028 30 H ALA 5 H ALA 5 3.799 -9.134 9.748 31 HA ALA 5 HA ALA 5 3.658 -10.358 7.112 32 HB1 ALA 5 1HB ALA 5 1.252 -10.010 7.376 33 HB2 ALA 5 2HB ALA 5 1.943 -10.712 8.848 34 HB3 ALA 5 3HB ALA 5 1.528 -8.974 8.802 35 H VAL 6 H VAL 6 3.321 -7.040 8.333 36 HA VAL 6 HA VAL 6 2.647 -5.766 5.948 37 HB VAL 6 HB VAL 6 2.823 -4.927 8.427 38 HG11 VAL 6 1HG1 VAL 6 5.258 -3.553 7.225 39 HG12 VAL 6 2HG1 VAL 6 4.560 -3.306 8.842 40 HG13 VAL 6 3HG1 VAL 6 5.323 -4.852 8.435 41 HG21 VAL 6 1HG2 VAL 6 2.488 -2.620 7.592 42 HG22 VAL 6 2HG2 VAL 6 3.006 -3.158 5.972 43 HG23 VAL 6 3HG2 VAL 6 1.549 -3.845 6.741 44 H GLN 7 H GLN 7 5.729 -6.919 7.083 45 HA GLN 7 HA GLN 7 7.403 -5.433 5.289 46 HB2 GLN 7 2HB GLN 7 8.189 -6.237 7.484 47 HB3 GLN 7 3HB GLN 7 7.719 -7.881 7.116 48 HG2 GLN 7 2HG GLN 7 10.046 -7.896 7.002 49 HG3 GLN 7 3HG GLN 7 9.547 -7.889 5.295 50 HE21 GLN 7 1HE2 GLN 7 9.081 -5.365 4.593 51 HE22 GLN 7 2HE2 GLN 7 10.219 -4.242 5.262 52 H ASP 8 H ASP 8 6.754 -8.740 5.643 53 HA ASP 8 HA ASP 8 7.559 -9.996 3.315 54 HB2 ASP 8 2HB ASP 8 6.934 -11.097 5.414 55 HB3 ASP 8 3HB ASP 8 5.249 -10.627 5.172 56 H PHE 9 H PHE 9 4.249 -8.629 3.910 57 HA PHE 9 HA PHE 9 3.294 -9.151 1.255 58 HB2 PHE 9 2HB PHE 9 1.779 -8.417 3.160 59 HB3 PHE 9 3HB PHE 9 2.702 -6.906 3.199 60 HD1 PHE 9 1HD PHE 9 0.608 -8.891 0.756 61 HD2 PHE 9 2HD PHE 9 2.295 -5.104 1.842 62 HE1 PHE 9 1HE PHE 9 -0.445 -7.773 -1.267 63 HE2 PHE 9 2HE PHE 9 1.265 -4.068 -0.123 64 HZ PHE 9 HZ PHE 9 -0.153 -5.399 -1.673 65 H VAL 10 H VAL 10 4.878 -6.250 2.703 66 HA VAL 10 HA VAL 10 4.640 -4.637 0.373 67 HB VAL 10 HB VAL 10 6.508 -4.508 2.741 68 HG11 VAL 10 1HG1 VAL 10 7.243 -2.241 2.041 69 HG12 VAL 10 2HG1 VAL 10 7.879 -3.503 0.988 70 HG13 VAL 10 3HG1 VAL 10 6.516 -2.503 0.432 71 HG21 VAL 10 1HG2 VAL 10 3.964 -3.844 2.675 72 HG22 VAL 10 2HG2 VAL 10 5.131 -2.742 3.429 73 HG23 VAL 10 3HG2 VAL 10 4.529 -2.437 1.773 74 H VAL 11 H VAL 11 7.353 -6.748 1.292 75 HA VAL 11 HA VAL 11 9.199 -6.087 -0.675 76 HB VAL 11 HB VAL 11 10.124 -8.319 -0.512 77 HG11 VAL 11 1HG1 VAL 11 9.743 -6.668 2.032 78 HG12 VAL 11 2HG1 VAL 11 11.006 -7.887 1.778 79 HG13 VAL 11 3HG1 VAL 11 10.990 -6.411 0.799 80 HG21 VAL 11 1HG2 VAL 11 8.032 -8.473 1.567 81 HG22 VAL 11 2HG2 VAL 11 8.056 -9.364 0.037 82 HG23 VAL 11 3HG2 VAL 11 9.305 -9.704 1.287 83 H ASP 12 H ASP 12 6.318 -7.952 -1.028 84 HA ASP 12 HA ASP 12 6.837 -9.441 -3.406 85 HB2 ASP 12 2HB ASP 12 4.870 -9.647 -1.774 86 HB3 ASP 12 3HB ASP 12 4.113 -8.343 -2.640 87 H ILE 13 H ILE 13 5.154 -6.320 -3.197 88 HA ILE 13 HA ILE 13 5.186 -5.429 -6.058 89 HB ILE 13 HB ILE 13 5.141 -3.935 -3.488 90 HG12 ILE 13 2HG1 ILE 13 2.776 -3.541 -4.033 91 HG13 ILE 13 3HG1 ILE 13 2.868 -4.719 -5.347 92 HG21 ILE 13 1HG2 ILE 13 4.562 -3.183 -6.399 93 HG22 ILE 13 2HG2 ILE 13 4.452 -2.096 -4.986 94 HG23 ILE 13 3HG2 ILE 13 6.005 -2.666 -5.506 95 HD11 ILE 13 1HD1 ILE 13 3.392 -5.426 -2.432 96 HD12 ILE 13 2HD1 ILE 13 1.780 -5.455 -3.164 97 HD13 ILE 13 3HD1 ILE 13 3.030 -6.537 -3.790 98 H LEU 14 H LEU 14 7.252 -5.065 -3.168 99 HA LEU 14 HA LEU 14 9.006 -3.276 -4.284 100 HB2 LEU 14 2HB LEU 14 8.626 -4.775 -1.839 101 HB3 LEU 14 3HB LEU 14 10.227 -5.073 -2.318 102 HG LEU 14 HG LEU 14 9.078 -2.366 -1.668 103 HD11 LEU 14 1HD1 LEU 14 10.733 -2.467 0.127 104 HD12 LEU 14 2HD1 LEU 14 11.454 -3.949 -0.539 105 HD13 LEU 14 3HD1 LEU 14 9.835 -3.999 0.158 106 HD21 LEU 14 1HD2 LEU 14 11.751 -3.112 -2.960 107 HD22 LEU 14 2HD2 LEU 14 11.421 -1.532 -2.184 108 HD23 LEU 14 3HD2 LEU 14 10.510 -2.047 -3.619 109 H LEU 15 H LEU 15 9.783 -6.781 -3.881 110 HA LEU 15 HA LEU 15 12.176 -6.461 -5.659 111 HB2 LEU 15 2HB LEU 15 11.375 -8.468 -3.495 112 HB3 LEU 15 3HB LEU 15 12.583 -8.856 -4.692 113 HG LEU 15 HG LEU 15 13.978 -6.932 -3.988 114 HD11 LEU 15 1HD1 LEU 15 12.427 -5.414 -2.941 115 HD12 LEU 15 2HD1 LEU 15 13.568 -5.943 -1.710 116 HD13 LEU 15 3HD1 LEU 15 11.942 -6.646 -1.751 117 HD21 LEU 15 1HD2 LEU 15 14.808 -8.002 -1.936 118 HD22 LEU 15 2HD2 LEU 15 14.371 -9.221 -3.148 119 HD23 LEU 15 3HD2 LEU 15 13.285 -8.903 -1.780 120 H ASN 16 H ASN 16 9.209 -8.353 -5.105 121 HA ASN 16 HA ASN 16 9.794 -9.996 -7.458 122 HB2 ASN 16 2HB ASN 16 7.308 -10.175 -5.724 123 HB3 ASN 16 3HB ASN 16 7.880 -11.338 -6.909 124 HD21 ASN 16 1HD2 ASN 16 7.635 -10.932 -3.701 125 HD22 ASN 16 2HD2 ASN 16 9.105 -11.773 -3.177 126 H GLY 17 H GLY 17 8.251 -6.958 -6.916 127 HA2 GLY 17 2HA GLY 17 7.163 -5.568 -8.404 128 HA3 GLY 17 3HA GLY 17 7.425 -6.713 -9.677 129 H ALA 18 H ALA 18 5.376 -6.329 -10.523 130 HA ALA 18 HA ALA 18 3.122 -6.871 -8.638 131 HB1 ALA 18 1HB ALA 18 3.871 -4.522 -8.780 132 HB2 ALA 18 2HB ALA 18 3.579 -4.546 -10.530 133 HB3 ALA 18 3HB ALA 18 2.213 -4.716 -9.396 134 H ARG 19 H ARG 19 1.180 -7.040 -9.286 135 HA ARG 19 HA ARG 19 -0.145 -7.581 -11.862 136 HB2 ARG 19 2HB ARG 19 -0.737 -7.022 -9.049 137 HB3 ARG 19 3HB ARG 19 -1.480 -5.817 -10.003 138 HG2 ARG 19 2HG ARG 19 -3.076 -7.419 -9.782 139 HG3 ARG 19 3HG ARG 19 -2.497 -7.719 -11.433 140 HD2 ARG 19 2HD ARG 19 -1.568 -9.268 -8.956 141 HD3 ARG 19 3HD ARG 19 -2.935 -9.783 -9.992 142 HE ARG 19 HE ARG 19 -0.551 -9.340 -11.578 143 HH11 ARG 19 1HH1 ARG 19 -0.852 -13.001 -10.038 144 HH12 ARG 19 2HH1 ARG 19 -2.095 -11.844 -9.595 145 HH21 ARG 19 1HH2 ARG 19 0.540 -12.623 -11.574 146 HH22 ARG 19 2HH2 ARG 19 0.612 -11.098 -12.434 147 H ASP 20 H ASP 20 -1.682 -5.637 -12.194 148 HA ASP 20 HA ASP 20 -0.592 -4.151 -14.152 149 HB2 ASP 20 2HB ASP 20 -2.996 -3.575 -12.335 150 HB3 ASP 20 3HB ASP 20 -2.668 -2.908 -13.916 151 H TRP 21 H TRP 21 0.460 -3.457 -11.042 152 HA TRP 21 HA TRP 21 0.317 -0.573 -11.283 153 HB2 TRP 21 2HB TRP 21 1.410 -2.177 -8.905 154 HB3 TRP 21 3HB TRP 21 1.034 -0.503 -9.029 155 HD1 TRP 21 1HD TRP 21 -1.421 -3.399 -10.037 156 HE1 TRP 21 1HE TRP 21 -3.649 -2.956 -8.934 157 HE3 TRP 21 3HE TRP 21 -0.064 0.594 -7.248 158 HZ2 TRP 21 2HZ TRP 21 -4.799 -0.863 -7.253 159 HZ3 TRP 21 3HZ TRP 21 -1.788 1.873 -5.903 160 HH2 TRP 21 2HH TRP 21 -4.094 1.068 -5.828 161 H ASP 22 H ASP 22 2.037 0.699 -10.909 162 HA ASP 22 HA ASP 22 4.709 -0.137 -11.991 163 HB2 ASP 22 2HB ASP 22 3.468 1.779 -13.127 164 HB3 ASP 22 3HB ASP 22 3.545 2.662 -11.610 165 H VAL 23 H VAL 23 6.499 1.112 -10.583 166 HA VAL 23 HA VAL 23 5.883 0.161 -7.841 167 HB VAL 23 HB VAL 23 8.315 -0.798 -9.450 168 HG11 VAL 23 1HG1 VAL 23 7.716 -1.145 -6.476 169 HG12 VAL 23 2HG1 VAL 23 9.037 -1.940 -7.352 170 HG13 VAL 23 3HG1 VAL 23 9.038 -0.184 -7.167 171 HG21 VAL 23 1HG2 VAL 23 6.092 -2.375 -8.085 172 HG22 VAL 23 2HG2 VAL 23 6.327 -2.204 -9.837 173 HG23 VAL 23 3HG2 VAL 23 7.527 -3.079 -8.873 174 H LEU 24 H LEU 24 5.903 1.694 -6.871 175 HA LEU 24 HA LEU 24 7.868 3.909 -7.366 176 HB2 LEU 24 2HB LEU 24 4.879 3.940 -7.022 177 HB3 LEU 24 3HB LEU 24 5.853 5.209 -6.668 178 HG LEU 24 HG LEU 24 4.783 5.646 -8.676 179 HD11 LEU 24 1HD1 LEU 24 6.931 6.644 -8.119 180 HD12 LEU 24 2HD1 LEU 24 6.700 6.499 -9.887 181 HD13 LEU 24 3HD1 LEU 24 7.770 5.361 -9.020 182 HD21 LEU 24 1HD2 LEU 24 5.214 4.551 -10.735 183 HD22 LEU 24 2HD2 LEU 24 4.703 3.318 -9.562 184 HD23 LEU 24 3HD2 LEU 24 6.427 3.480 -10.006 185 H GLN 25 H GLN 25 9.059 3.606 -5.813 186 HA GLN 25 HA GLN 25 8.119 3.763 -3.005 187 HB2 GLN 25 2HB GLN 25 10.901 3.681 -4.205 188 HB3 GLN 25 3HB GLN 25 10.624 4.315 -2.574 189 HG2 GLN 25 2HG GLN 25 10.631 2.264 -1.750 190 HG3 GLN 25 3HG GLN 25 9.168 1.882 -2.615 191 HE21 GLN 25 1HE2 GLN 25 9.305 0.766 -4.664 192 HE22 GLN 25 2HE2 GLN 25 10.755 -0.220 -4.957 193 H THR 26 H THR 26 6.895 5.447 -2.918 194 HA THR 26 HA THR 26 8.407 7.950 -2.519 195 HB THR 26 HB THR 26 7.521 8.200 -4.761 196 HG1 THR 26 1HG THR 26 6.309 10.201 -4.166 197 HG21 THR 26 1HG2 THR 26 5.108 8.643 -5.128 198 HG22 THR 26 2HG2 THR 26 4.738 7.980 -3.507 199 HG23 THR 26 3HG2 THR 26 5.464 6.958 -4.773 200 H THR 27 H THR 27 6.521 9.556 -1.379 201 HA THR 27 HA THR 27 5.149 7.888 0.680 202 HB THR 27 HB THR 27 5.673 9.625 2.329 203 HG1 THR 27 1HG THR 27 6.439 11.108 0.630 204 HG21 THR 27 1HG2 THR 27 7.928 8.815 2.897 205 HG22 THR 27 2HG2 THR 27 8.107 8.153 1.263 206 HG23 THR 27 3HG2 THR 27 6.904 7.462 2.377 207 H CYS 28 H CYS 28 3.065 8.661 1.197 208 HA CYS 28 HA CYS 28 2.229 11.146 -0.223 209 HB2 CYS 28 2HB CYS 28 0.185 9.984 -0.844 210 HB3 CYS 28 3HB CYS 28 1.601 9.057 -1.354 211 HG CYS 28 HG CYS 28 -0.101 7.313 -0.639 212 H THR 29 H THR 29 0.293 12.136 0.603 213 HA THR 29 HA THR 29 0.419 12.307 3.634 214 HB THR 29 HB THR 29 -0.306 14.567 1.747 215 HG1 THR 29 1HG THR 29 1.604 14.133 0.967 216 HG21 THR 29 1HG2 THR 29 -0.728 14.930 4.152 217 HG22 THR 29 2HG2 THR 29 0.588 15.981 3.555 218 HG23 THR 29 3HG2 THR 29 0.945 14.528 4.504 219 H VAL 30 H VAL 30 -1.311 11.680 4.631 220 HA VAL 30 HA VAL 30 -3.822 12.900 3.908 221 HB VAL 30 HB VAL 30 -3.759 9.828 3.662 222 HG11 VAL 30 1HG1 VAL 30 -6.059 11.860 3.622 223 HG12 VAL 30 2HG1 VAL 30 -6.195 10.248 2.903 224 HG13 VAL 30 3HG1 VAL 30 -5.820 10.417 4.646 225 HG21 VAL 30 1HG2 VAL 30 -4.405 11.926 1.462 226 HG22 VAL 30 2HG2 VAL 30 -3.055 10.733 1.510 227 HG23 VAL 30 3HG2 VAL 30 -4.670 10.174 1.365 228 H ASP 31 H ASP 31 -5.468 12.721 5.614 229 HA ASP 31 HA ASP 31 -6.126 12.725 7.804 230 HB2 ASP 31 2HB ASP 31 -5.412 10.194 7.141 231 HB3 ASP 31 3HB ASP 31 -4.458 10.365 8.525 232 H ARG 32 H ARG 32 -3.504 13.917 7.093 233 HA ARG 32 HA ARG 32 -1.988 15.372 7.976 234 HB2 ARG 32 2HB ARG 32 -3.037 14.681 10.777 235 HB3 ARG 32 3HB ARG 32 -2.058 16.069 10.318 236 HG2 ARG 32 2HG ARG 32 -3.855 17.114 9.102 237 HG3 ARG 32 3HG ARG 32 -4.807 15.646 9.092 238 HD2 ARG 32 2HD ARG 32 -5.894 16.836 10.679 239 HD3 ARG 32 3HD ARG 32 -4.875 15.764 11.664 240 HE ARG 32 HE ARG 32 -3.618 18.328 11.075 241 HH11 ARG 32 1HH1 ARG 32 -5.976 18.228 14.335 242 HH12 ARG 32 2HH1 ARG 32 -6.168 16.988 13.100 243 HH21 ARG 32 1HH2 ARG 32 -4.554 19.892 14.041 244 HH22 ARG 32 2HH2 ARG 32 -3.555 20.052 12.598 245 H LYS 33 H LYS 33 -1.736 12.401 7.667 246 HA LYS 33 HA LYS 33 0.800 11.836 9.125 247 HB2 LYS 33 2HB LYS 33 -0.920 10.286 9.876 248 HB3 LYS 33 3HB LYS 33 -1.575 10.223 8.246 249 HG2 LYS 33 2HG LYS 33 -0.849 8.193 8.525 250 HG3 LYS 33 3HG LYS 33 0.380 8.853 7.496 251 HD2 LYS 33 2HD LYS 33 2.030 8.412 9.023 252 HD3 LYS 33 3HD LYS 33 1.046 8.958 10.412 253 HE2 LYS 33 2HE LYS 33 -0.210 6.899 10.474 254 HE3 LYS 33 3HE LYS 33 0.414 6.396 8.890 255 HZ1 LYS 33 1HZ LYS 33 2.378 5.857 9.654 256 HZ2 LYS 33 2HZ LYS 33 1.389 5.267 10.809 257 HZ3 LYS 33 3HZ LYS 33 2.281 6.653 11.125 258 H VAL 34 H VAL 34 2.352 10.847 7.786 259 HA VAL 34 HA VAL 34 1.747 10.831 4.870 260 HB VAL 34 HB VAL 34 4.186 11.683 6.224 261 HG11 VAL 34 1HG1 VAL 34 5.415 11.767 4.043 262 HG12 VAL 34 2HG1 VAL 34 5.046 10.089 4.543 263 HG13 VAL 34 3HG1 VAL 34 4.040 10.908 3.310 264 HG21 VAL 34 1HG2 VAL 34 4.092 13.645 4.785 265 HG22 VAL 34 2HG2 VAL 34 2.673 12.943 3.995 266 HG23 VAL 34 3HG2 VAL 34 2.580 13.426 5.712 267 H TYR 35 H TYR 35 1.700 8.931 4.041 268 HA TYR 35 HA TYR 35 2.616 6.501 5.438 269 HB2 TYR 35 2HB TYR 35 0.904 6.926 2.952 270 HB3 TYR 35 3HB TYR 35 1.124 5.414 3.838 271 HD1 TYR 35 1HD TYR 35 -0.506 8.732 3.806 272 HD2 TYR 35 2HD TYR 35 0.206 5.101 6.016 273 HE1 TYR 35 1HE TYR 35 -2.514 9.192 5.246 274 HE2 TYR 35 2HE TYR 35 -1.814 5.565 7.443 275 HH TYR 35 HH TYR 35 -3.665 6.978 7.772 276 H LYS 36 H LYS 36 3.694 4.818 4.064 277 HA LYS 36 HA LYS 36 5.241 6.080 1.891 278 HB2 LYS 36 2HB LYS 36 6.182 3.737 3.342 279 HB3 LYS 36 3HB LYS 36 7.031 5.023 2.588 280 HG2 LYS 36 2HG LYS 36 7.450 5.769 4.583 281 HG3 LYS 36 3HG LYS 36 5.833 6.486 4.567 282 HD2 LYS 36 2HD LYS 36 6.342 5.368 6.690 283 HD3 LYS 36 3HD LYS 36 4.895 4.744 5.914 284 HE2 LYS 36 2HE LYS 36 5.987 2.710 5.241 285 HE3 LYS 36 3HE LYS 36 7.579 3.381 5.613 286 HZ1 LYS 36 1HZ LYS 36 5.457 2.663 7.568 287 HZ2 LYS 36 2HZ LYS 36 6.840 3.433 7.994 288 HZ3 LYS 36 3HZ LYS 36 6.916 1.925 7.442 289 H THR 37 H THR 37 5.389 5.260 -0.041 290 HA THR 37 HA THR 37 3.176 3.412 -0.654 291 HB THR 37 HB THR 37 2.761 4.398 -2.636 292 HG1 THR 37 1HG THR 37 4.882 4.464 -3.473 293 HG21 THR 37 1HG2 THR 37 3.850 6.830 -1.163 294 HG22 THR 37 2HG2 THR 37 2.404 5.974 -0.611 295 HG23 THR 37 3HG2 THR 37 2.437 6.714 -2.216 296 H ILE 38 H ILE 38 3.410 1.756 -2.110 297 HA ILE 38 HA ILE 38 6.237 0.882 -2.625 298 HB ILE 38 HB ILE 38 3.945 -0.962 -3.210 299 HG12 ILE 38 2HG1 ILE 38 4.729 -0.283 -0.285 300 HG13 ILE 38 3HG1 ILE 38 3.171 0.002 -1.005 301 HG21 ILE 38 1HG2 ILE 38 6.688 -1.080 -1.717 302 HG22 ILE 38 2HG2 ILE 38 5.768 -2.508 -2.110 303 HG23 ILE 38 3HG2 ILE 38 6.439 -1.513 -3.410 304 HD11 ILE 38 1HD1 ILE 38 4.287 -2.761 -0.570 305 HD12 ILE 38 2HD1 ILE 38 2.906 -1.995 0.232 306 HD13 ILE 38 3HD1 ILE 38 2.820 -2.398 -1.491 307 H CYS 39 H CYS 39 3.128 1.397 -4.051 308 HA CYS 39 HA CYS 39 4.158 1.277 -6.788 309 HB2 CYS 39 2HB CYS 39 2.454 -0.672 -7.249 310 HB3 CYS 39 3HB CYS 39 3.730 -0.908 -6.764 311 HG CYS 39 HG CYS 39 1.874 -2.416 -5.545 312 H LYS 40 H LYS 40 2.790 2.026 -8.300 313 HA LYS 40 HA LYS 40 0.415 3.270 -7.343 314 HB2 LYS 40 2HB LYS 40 2.454 4.817 -7.685 315 HB3 LYS 40 3HB LYS 40 2.493 4.286 -9.362 316 HG2 LYS 40 2HG LYS 40 0.089 5.294 -9.471 317 HG3 LYS 40 3HG LYS 40 0.571 6.009 -7.957 318 HD2 LYS 40 2HD LYS 40 2.417 7.205 -9.069 319 HD3 LYS 40 3HD LYS 40 2.176 6.287 -10.559 320 HE2 LYS 40 2HE LYS 40 0.077 7.345 -11.016 321 HE3 LYS 40 3HE LYS 40 0.001 8.067 -9.410 322 HZ1 LYS 40 1HZ LYS 40 1.801 9.517 -10.032 323 HZ2 LYS 40 2HZ LYS 40 0.670 9.678 -11.157 324 HZ3 LYS 40 3HZ LYS 40 1.994 8.788 -11.505 325 H ARG 41 H ARG 41 -1.406 3.271 -8.638 326 HA ARG 41 HA ARG 41 -1.007 2.638 -11.458 327 HB2 ARG 41 2HB ARG 41 -1.700 0.455 -10.411 328 HB3 ARG 41 3HB ARG 41 -3.257 1.210 -10.028 329 HG2 ARG 41 2HG ARG 41 -3.159 1.877 -12.603 330 HG3 ARG 41 3HG ARG 41 -1.909 0.682 -12.726 331 HD2 ARG 41 2HD ARG 41 -3.523 -0.901 -11.581 332 HD3 ARG 41 3HD ARG 41 -4.815 0.286 -11.766 333 HE ARG 41 HE ARG 41 -3.284 -1.046 -13.991 334 HH11 ARG 41 1HH1 ARG 41 -7.211 -0.352 -14.368 335 HH12 ARG 41 2HH1 ARG 41 -6.405 0.321 -12.961 336 HH21 ARG 41 1HH2 ARG 41 -6.091 -1.473 -15.925 337 HH22 ARG 41 2HH2 ARG 41 -4.388 -1.793 -15.787 338 H GLY 42 H GLY 42 -1.669 4.276 -12.391 339 HA2 GLY 42 2HA GLY 42 -2.959 6.154 -12.982 340 HA3 GLY 42 3HA GLY 42 -4.326 5.387 -12.215 341 H ASN 43 H ASN 43 -5.166 6.644 -10.819 342 HA ASN 43 HA ASN 43 -3.702 8.806 -9.446 343 HB2 ASN 43 2HB ASN 43 -5.975 9.254 -8.484 344 HB3 ASN 43 3HB ASN 43 -5.863 9.264 -10.237 345 HD21 ASN 43 1HD2 ASN 43 -6.128 6.187 -8.417 346 HD22 ASN 43 2HD2 ASN 43 -7.833 6.001 -8.791 347 H THR 44 H THR 44 -3.812 5.520 -8.886 348 HA THR 44 HA THR 44 -4.049 5.839 -5.898 349 HB THR 44 HB THR 44 -5.895 4.630 -6.717 350 HG1 THR 44 1HG THR 44 -5.788 3.752 -4.888 351 HG21 THR 44 1HG2 THR 44 -3.982 2.657 -7.888 352 HG22 THR 44 2HG2 THR 44 -5.486 3.350 -8.544 353 HG23 THR 44 3HG2 THR 44 -5.579 2.153 -7.283 354 H TYR 45 H TYR 45 -2.803 4.416 -4.502 355 HA TYR 45 HA TYR 45 -0.072 4.064 -5.200 356 HB2 TYR 45 2HB TYR 45 -1.126 6.379 -3.488 357 HB3 TYR 45 3HB TYR 45 0.466 5.653 -3.263 358 HD1 TYR 45 1HD TYR 45 -1.686 7.198 -5.814 359 HD2 TYR 45 2HD TYR 45 2.333 6.333 -4.578 360 HE1 TYR 45 1HE TYR 45 -0.804 8.894 -7.468 361 HE2 TYR 45 2HE TYR 45 3.220 7.853 -6.300 362 HH TYR 45 HH TYR 45 2.682 9.759 -7.542 363 H LEU 46 H LEU 46 0.316 2.424 -3.945 364 HA LEU 46 HA LEU 46 -1.614 1.661 -1.778 365 HB2 LEU 46 2HB LEU 46 -0.220 0.420 -4.098 366 HB3 LEU 46 3HB LEU 46 0.212 -0.254 -2.671 367 HG LEU 46 HG LEU 46 -1.793 -1.061 -4.163 368 HD11 LEU 46 1HD1 LEU 46 -2.742 -2.435 -2.310 369 HD12 LEU 46 2HD1 LEU 46 -1.877 -1.396 -1.131 370 HD13 LEU 46 3HD1 LEU 46 -0.951 -2.441 -2.264 371 HD21 LEU 46 1HD2 LEU 46 -3.342 0.259 -1.983 372 HD22 LEU 46 2HD2 LEU 46 -3.876 -0.788 -3.332 373 HD23 LEU 46 3HD2 LEU 46 -3.240 0.847 -3.679 374 H CYS 47 H CYS 47 -0.847 1.866 0.241 375 HA CYS 47 HA CYS 47 2.043 2.317 0.662 376 HB2 CYS 47 2HB CYS 47 0.033 3.998 2.190 377 HB3 CYS 47 3HB CYS 47 1.630 4.416 1.627 378 HG CYS 47 HG CYS 47 -0.434 5.864 0.551 379 H PHE 48 H PHE 48 2.683 2.267 2.947 380 HA PHE 48 HA PHE 48 0.957 0.587 4.651 381 HB2 PHE 48 2HB PHE 48 2.519 -1.082 4.960 382 HB3 PHE 48 3HB PHE 48 2.490 -0.836 3.211 383 HD1 PHE 48 1HD PHE 48 4.542 -0.930 6.136 384 HD2 PHE 48 2HD PHE 48 4.293 0.504 2.094 385 HE1 PHE 48 1HE PHE 48 6.986 -0.729 6.083 386 HE2 PHE 48 2HE PHE 48 6.748 0.695 1.988 387 HZ PHE 48 HZ PHE 48 8.139 0.043 3.987 388 H ASP 49 H ASP 49 1.432 0.667 6.873 389 HA ASP 49 HA ASP 49 3.556 2.556 7.763 390 HB2 ASP 49 2HB ASP 49 1.040 2.066 9.282 391 HB3 ASP 49 3HB ASP 49 2.376 3.091 9.768 392 H ASP 50 H ASP 50 3.032 1.736 10.544 393 HA ASP 50 HA ASP 50 4.734 -0.481 10.412 394 HB2 ASP 50 2HB ASP 50 3.500 0.850 12.833 395 HB3 ASP 50 3HB ASP 50 4.955 -0.152 12.858 396 H THR 51 H THR 51 1.472 -0.417 10.493 397 HA THR 51 HA THR 51 0.920 -2.816 12.150 398 HB THR 51 HB THR 51 -1.384 -1.748 12.115 399 HG1 THR 51 1HG THR 51 -1.658 -0.226 10.766 400 HG21 THR 51 1HG2 THR 51 0.771 0.163 13.049 401 HG22 THR 51 2HG2 THR 51 0.048 -1.168 13.997 402 HG23 THR 51 3HG2 THR 51 -0.952 0.204 13.454 403 H ASN 52 H ASN 52 0.582 -1.638 8.842 404 HA ASN 52 HA ASN 52 -0.925 -3.498 7.571 405 HB2 ASN 52 2HB ASN 52 -3.124 -2.454 7.568 406 HB3 ASN 52 3HB ASN 52 -2.859 -3.353 9.007 407 HD21 ASN 52 1HD2 ASN 52 -3.156 -0.159 7.555 408 HD22 ASN 52 2HD2 ASN 52 -3.367 0.729 9.050 409 H LEU 53 H LEU 53 -2.321 -2.453 5.869 410 HA LEU 53 HA LEU 53 -0.760 -0.273 4.614 411 HB2 LEU 53 2HB LEU 53 -2.248 -2.699 3.562 412 HB3 LEU 53 3HB LEU 53 -1.982 -1.305 2.533 413 HG LEU 53 HG LEU 53 0.473 -1.355 3.225 414 HD11 LEU 53 1HD1 LEU 53 0.556 -2.886 5.051 415 HD12 LEU 53 2HD1 LEU 53 1.187 -3.808 3.680 416 HD13 LEU 53 3HD1 LEU 53 -0.516 -4.028 4.179 417 HD21 LEU 53 1HD2 LEU 53 1.083 -2.850 1.630 418 HD22 LEU 53 2HD2 LEU 53 -0.469 -2.213 1.041 419 HD23 LEU 53 3HD2 LEU 53 -0.395 -3.846 1.840 420 H TYR 54 H TYR 54 -1.840 0.951 3.042 421 HA TYR 54 HA TYR 54 -4.667 1.436 3.517 422 HB2 TYR 54 2HB TYR 54 -2.888 3.864 3.448 423 HB3 TYR 54 3HB TYR 54 -4.560 3.734 3.813 424 HD1 TYR 54 1HD TYR 54 -5.123 4.135 5.953 425 HD2 TYR 54 2HD TYR 54 -1.309 2.274 5.258 426 HE1 TYR 54 1HE TYR 54 -4.701 4.087 8.392 427 HE2 TYR 54 2HE TYR 54 -1.070 1.829 7.672 428 HH TYR 54 HH TYR 54 -3.264 3.305 10.106 429 H ALA 55 H ALA 55 -5.642 1.875 1.466 430 HA ALA 55 HA ALA 55 -3.724 2.368 -0.848 431 HB1 ALA 55 1HB ALA 55 -5.696 2.001 -2.284 432 HB2 ALA 55 2HB ALA 55 -5.487 0.567 -1.262 433 HB3 ALA 55 3HB ALA 55 -6.742 1.757 -0.876 434 H ILE 56 H ILE 56 -3.340 4.394 -1.191 435 HA ILE 56 HA ILE 56 -5.504 6.335 -0.431 436 HB ILE 56 HB ILE 56 -2.567 6.807 -0.753 437 HG12 ILE 56 2HG1 ILE 56 -3.421 8.207 1.442 438 HG13 ILE 56 3HG1 ILE 56 -4.675 7.015 1.436 439 HG21 ILE 56 1HG2 ILE 56 -3.758 8.597 -2.022 440 HG22 ILE 56 2HG2 ILE 56 -4.936 8.794 -0.696 441 HG23 ILE 56 3HG2 ILE 56 -3.232 9.276 -0.489 442 HD11 ILE 56 1HD1 ILE 56 -2.935 6.380 2.948 443 HD12 ILE 56 2HD1 ILE 56 -2.869 5.240 1.553 444 HD13 ILE 56 3HD1 ILE 56 -1.692 6.542 1.699 445 H THR 57 H THR 57 -6.861 5.998 -1.953 446 HA THR 57 HA THR 57 -6.019 5.937 -4.793 447 HB THR 57 HB THR 57 -8.721 5.549 -3.492 448 HG1 THR 57 1HG THR 57 -8.279 3.487 -3.890 449 HG21 THR 57 1HG2 THR 57 -9.037 6.531 -5.752 450 HG22 THR 57 2HG2 THR 57 -9.465 4.806 -5.730 451 HG23 THR 57 3HG2 THR 57 -7.911 5.324 -6.414 452 H GLY 58 H GLY 58 -5.170 7.852 -5.114 453 HA2 GLY 58 2HA GLY 58 -5.026 10.109 -5.594 454 HA3 GLY 58 3HA GLY 58 -6.784 10.237 -5.363 455 H ASP 59 H ASP 59 -7.512 10.219 -3.184 456 HA ASP 59 HA ASP 59 -5.828 11.037 -0.840 457 HB2 ASP 59 2HB ASP 59 -7.535 12.949 -0.646 458 HB3 ASP 59 3HB ASP 59 -6.316 13.089 -1.914 459 H VAL 60 H VAL 60 -7.922 8.910 -1.976 460 HA VAL 60 HA VAL 60 -9.776 8.746 0.340 461 HB VAL 60 HB VAL 60 -9.451 7.005 -2.159 462 HG11 VAL 60 1HG1 VAL 60 -11.584 5.880 -1.453 463 HG12 VAL 60 2HG1 VAL 60 -10.232 5.501 -0.387 464 HG13 VAL 60 3HG1 VAL 60 -11.453 6.700 0.111 465 HG21 VAL 60 1HG2 VAL 60 -11.643 7.859 -2.850 466 HG22 VAL 60 2HG2 VAL 60 -11.708 8.876 -1.399 467 HG23 VAL 60 3HG2 VAL 60 -10.492 9.181 -2.648 468 H VAL 61 H VAL 61 -8.493 8.362 2.012 469 HA VAL 61 HA VAL 61 -6.556 6.183 1.998 470 HB VAL 61 HB VAL 61 -6.197 8.126 3.276 471 HG11 VAL 61 1HG1 VAL 61 -7.274 8.664 5.388 472 HG12 VAL 61 2HG1 VAL 61 -8.539 8.570 4.140 473 HG13 VAL 61 3HG1 VAL 61 -8.300 7.236 5.307 474 HG21 VAL 61 1HG2 VAL 61 -5.097 5.988 3.907 475 HG22 VAL 61 2HG2 VAL 61 -5.329 7.024 5.328 476 HG23 VAL 61 3HG2 VAL 61 -6.411 5.644 5.064 477 H LEU 62 H LEU 62 -7.357 4.323 1.538 478 HA LEU 62 HA LEU 62 -9.431 3.148 3.308 479 HB2 LEU 62 2HB LEU 62 -9.944 2.871 1.061 480 HB3 LEU 62 3HB LEU 62 -8.375 2.351 0.601 481 HG LEU 62 HG LEU 62 -8.677 0.172 1.613 482 HD11 LEU 62 1HD1 LEU 62 -9.613 0.636 3.830 483 HD12 LEU 62 2HD1 LEU 62 -10.695 -0.460 2.979 484 HD13 LEU 62 3HD1 LEU 62 -11.112 1.265 3.097 485 HD21 LEU 62 1HD2 LEU 62 -10.750 -0.608 0.615 486 HD22 LEU 62 2HD2 LEU 62 -9.969 0.622 -0.430 487 HD23 LEU 62 3HD2 LEU 62 -11.362 1.077 0.598 488 H LYS 63 H LYS 63 -8.196 3.199 4.980 489 HA LYS 63 HA LYS 63 -5.871 1.657 5.662 490 HB2 LYS 63 2HB LYS 63 -6.900 1.595 7.970 491 HB3 LYS 63 3HB LYS 63 -6.638 3.193 7.311 492 HG2 LYS 63 2HG LYS 63 -8.831 3.726 7.108 493 HG3 LYS 63 3HG LYS 63 -9.392 2.093 6.908 494 HD2 LYS 63 2HD LYS 63 -8.369 3.274 9.530 495 HD3 LYS 63 3HD LYS 63 -10.062 3.139 9.072 496 HE2 LYS 63 2HE LYS 63 -8.128 0.851 9.656 497 HE3 LYS 63 3HE LYS 63 -9.535 1.360 10.602 498 HZ1 LYS 63 1HZ LYS 63 -10.091 -0.554 9.259 499 HZ2 LYS 63 2HZ LYS 63 -9.604 0.182 7.872 500 HZ3 LYS 63 3HZ LYS 63 -10.936 0.724 8.677 501 H PHE 64 H PHE 64 -5.549 -0.459 5.317 502 HA PHE 64 HA PHE 64 -7.757 -2.364 4.850 503 HB2 PHE 64 2HB PHE 64 -4.782 -2.658 4.668 504 HB3 PHE 64 3HB PHE 64 -5.931 -3.887 4.471 505 HD1 PHE 64 1HD PHE 64 -4.169 -1.378 2.778 506 HD2 PHE 64 2HD PHE 64 -7.952 -3.359 2.757 507 HE1 PHE 64 1HE PHE 64 -4.377 -0.898 0.366 508 HE2 PHE 64 2HE PHE 64 -8.220 -2.837 0.375 509 HZ PHE 64 HZ PHE 64 -6.389 -1.668 -0.865 510 H ALA 65 H ALA 65 -8.503 -3.742 6.486 511 HA ALA 65 HA ALA 65 -7.482 -3.798 9.178 512 HB1 ALA 65 1HB ALA 65 -9.839 -4.425 8.401 513 HB2 ALA 65 2HB ALA 65 -9.114 -5.946 7.769 514 HB3 ALA 65 3HB ALA 65 -9.052 -5.602 9.481 515 H THR 66 H THR 66 -5.825 -5.116 6.494 516 HA THR 66 HA THR 66 -4.316 -6.944 8.096 517 HB THR 66 HB THR 66 -4.903 -8.088 5.478 518 HG1 THR 66 1HG THR 66 -6.934 -8.287 7.517 519 HG21 THR 66 1HG2 THR 66 -5.091 -9.316 8.238 520 HG22 THR 66 2HG2 THR 66 -3.700 -9.374 7.125 521 HG23 THR 66 3HG2 THR 66 -5.232 -10.171 6.674 522 H VAL 67 H VAL 67 -2.655 -7.654 6.692 523 HA VAL 67 HA VAL 67 -1.802 -5.610 4.805 524 HB VAL 67 HB VAL 67 -0.503 -8.310 5.094 525 HG11 VAL 67 1HG1 VAL 67 1.413 -6.853 4.850 526 HG12 VAL 67 2HG1 VAL 67 0.117 -6.236 3.720 527 HG13 VAL 67 3HG1 VAL 67 0.425 -5.467 5.331 528 HG21 VAL 67 1HG2 VAL 67 0.927 -7.581 6.815 529 HG22 VAL 67 2HG2 VAL 67 -0.123 -6.183 7.193 530 HG23 VAL 67 3HG2 VAL 67 -0.706 -7.888 7.465 531 H SER 68 H SER 68 -2.667 -9.129 4.783 532 HA SER 68 HA SER 68 -2.445 -9.689 2.131 533 HB2 SER 68 2HB SER 68 -4.813 -10.674 3.800 534 HB3 SER 68 3HB SER 68 -3.877 -11.555 2.546 535 HG SER 68 HG SER 68 -3.150 -12.238 4.569 536 H LYS 69 H LYS 69 -4.948 -7.632 3.470 537 HA LYS 69 HA LYS 69 -6.951 -7.858 1.457 538 HB2 LYS 69 2HB LYS 69 -6.035 -5.335 2.952 539 HB3 LYS 69 3HB LYS 69 -7.622 -5.645 2.296 540 HG2 LYS 69 2HG LYS 69 -7.025 -7.681 4.239 541 HG3 LYS 69 3HG LYS 69 -6.564 -6.109 4.860 542 HD2 LYS 69 2HD LYS 69 -8.778 -6.242 5.530 543 HD3 LYS 69 3HD LYS 69 -8.823 -5.198 4.085 544 HE2 LYS 69 2HE LYS 69 -8.888 -7.721 2.971 545 HE3 LYS 69 3HE LYS 69 -9.240 -8.296 4.517 546 HZ1 LYS 69 1HZ LYS 69 -11.324 -6.943 4.535 547 HZ2 LYS 69 2HZ LYS 69 -11.281 -8.053 3.312 548 HZ3 LYS 69 3HZ LYS 69 -11.046 -6.504 2.936 549 H ALA 70 H ALA 70 -4.300 -5.543 1.852 550 HA ALA 70 HA ALA 70 -4.570 -4.127 -0.556 551 HB1 ALA 70 1HB ALA 70 -2.038 -4.966 0.902 552 HB2 ALA 70 2HB ALA 70 -2.205 -3.577 -0.170 553 HB3 ALA 70 3HB ALA 70 -3.104 -3.602 1.348 554 H ARG 71 H ARG 71 -3.503 -7.462 -0.343 555 HA ARG 71 HA ARG 71 -2.126 -7.631 -2.896 556 HB2 ARG 71 2HB ARG 71 -2.065 -9.113 -0.699 557 HB3 ARG 71 3HB ARG 71 -3.338 -10.011 -1.434 558 HG2 ARG 71 2HG ARG 71 -2.046 -11.008 -3.019 559 HG3 ARG 71 3HG ARG 71 -1.069 -9.439 -3.327 560 HD2 ARG 71 2HD ARG 71 0.411 -11.061 -2.440 561 HD3 ARG 71 3HD ARG 71 0.199 -9.874 -1.231 562 HE ARG 71 HE ARG 71 -1.703 -11.862 -0.629 563 HH11 ARG 71 1HH1 ARG 71 2.221 -13.000 0.051 564 HH12 ARG 71 2HH1 ARG 71 1.857 -11.857 -1.155 565 HH21 ARG 71 1HH2 ARG 71 0.563 -14.047 1.186 566 HH22 ARG 71 2HH2 ARG 71 -1.079 -13.602 0.860 567 H ALA 72 H ALA 72 -5.355 -8.367 -1.684 568 HA ALA 72 HA ALA 72 -6.472 -9.336 -4.295 569 HB1 ALA 72 1HB ALA 72 -8.541 -9.328 -2.935 570 HB2 ALA 72 2HB ALA 72 -7.160 -10.106 -2.001 571 HB3 ALA 72 3HB ALA 72 -7.775 -8.501 -1.688 572 H TYR 73 H TYR 73 -6.090 -6.165 -2.586 573 HA TYR 73 HA TYR 73 -7.946 -4.719 -4.097 574 HB2 TYR 73 2HB TYR 73 -7.072 -3.992 -1.899 575 HB3 TYR 73 3HB TYR 73 -5.509 -3.705 -2.636 576 HD1 TYR 73 1HD TYR 73 -5.229 -2.023 -4.473 577 HD2 TYR 73 2HD TYR 73 -8.978 -2.480 -2.274 578 HE1 TYR 73 1HE TYR 73 -6.099 0.195 -5.351 579 HE2 TYR 73 2HE TYR 73 -9.735 -0.258 -3.137 580 HH TYR 73 HH TYR 73 -7.701 1.776 -5.279 581 H LEU 74 H LEU 74 -4.532 -5.344 -4.386 582 HA LEU 74 HA LEU 74 -3.954 -3.802 -6.614 583 HB2 LEU 74 2HB LEU 74 -2.904 -6.114 -5.327 584 HB3 LEU 74 3HB LEU 74 -2.500 -6.178 -6.922 585 HG LEU 74 HG LEU 74 -1.016 -4.473 -6.918 586 HD11 LEU 74 1HD1 LEU 74 -2.455 -2.647 -6.040 587 HD12 LEU 74 2HD1 LEU 74 -0.940 -2.676 -5.205 588 HD13 LEU 74 3HD1 LEU 74 -2.483 -3.295 -4.418 589 HD21 LEU 74 1HD2 LEU 74 -1.070 -5.004 -3.856 590 HD22 LEU 74 2HD2 LEU 74 0.309 -4.538 -4.903 591 HD23 LEU 74 3HD2 LEU 74 -0.394 -6.148 -5.046 592 H GLU 75 H GLU 75 -5.651 -6.843 -6.654 593 HA GLU 75 HA GLU 75 -5.716 -6.713 -9.741 594 HB2 GLU 75 2HB GLU 75 -6.572 -9.057 -9.599 595 HB3 GLU 75 3HB GLU 75 -5.074 -8.833 -9.020 596 HG2 GLU 75 2HG GLU 75 -5.257 -9.216 -6.703 597 HG3 GLU 75 3HG GLU 75 -7.201 -9.096 -7.133 598 H THR 76 H THR 76 -7.776 -5.606 -7.073 599 HA THR 76 HA THR 76 -10.020 -5.311 -8.817 600 HB THR 76 HB THR 76 -10.017 -7.465 -6.596 601 HG1 THR 76 1HG THR 76 -9.810 -7.585 -9.081 602 HG21 THR 76 1HG2 THR 76 -12.323 -5.824 -7.686 603 HG22 THR 76 2HG2 THR 76 -11.789 -6.109 -5.947 604 HG23 THR 76 3HG2 THR 76 -12.537 -7.441 -7.033 605 H LYS 77 H LYS 77 -10.471 -3.537 -8.273 606 HA LYS 77 HA LYS 77 -10.241 -1.724 -6.176 607 HB2 LYS 77 2HB LYS 77 -12.787 -1.453 -7.708 608 HB3 LYS 77 3HB LYS 77 -11.603 -0.250 -7.293 609 HG2 LYS 77 2HG LYS 77 -11.472 -0.406 -9.622 610 HG3 LYS 77 3HG LYS 77 -10.109 -1.364 -9.102 611 HD2 LYS 77 2HD LYS 77 -10.899 -3.086 -10.331 612 HD3 LYS 77 3HD LYS 77 -12.272 -3.215 -9.236 613 HE2 LYS 77 2HE LYS 77 -12.150 -1.443 -11.693 614 HE3 LYS 77 3HE LYS 77 -12.865 -3.038 -11.645 615 HZ1 LYS 77 1HZ LYS 77 -14.581 -1.336 -11.388 616 HZ2 LYS 77 2HZ LYS 77 -13.879 -0.762 -10.028 617 HZ3 LYS 77 3HZ LYS 77 -14.483 -2.275 -10.078 Start of MODEL 14 1 H2 SER 1 2H SER 1 2.692 -9.844 16.478 2 H3 SER 1 3H SER 1 1.572 -8.793 15.930 3 HA SER 1 HA SER 1 4.352 -8.959 15.048 4 HB2 SER 1 2HB SER 1 3.156 -10.766 14.125 5 HB3 SER 1 3HB SER 1 1.742 -9.764 13.708 6 HG SER 1 HG SER 1 3.344 -10.434 12.043 7 H HIS 2 H HIS 2 4.986 -7.571 13.276 8 HA HIS 2 HA HIS 2 3.267 -5.264 12.586 9 HB2 HIS 2 2HB HIS 2 5.909 -4.917 14.116 10 HB3 HIS 2 3HB HIS 2 5.093 -3.623 13.230 11 HD1 HIS 2 1HD HIS 2 5.714 -3.803 16.467 12 HD2 HIS 2 2HD HIS 2 2.126 -3.919 14.253 13 HE1 HIS 2 1HE HIS 2 3.891 -2.948 17.988 14 H MET 3 H MET 3 6.754 -5.203 12.449 15 HA MET 3 HA MET 3 7.148 -5.086 9.635 16 HB2 MET 3 2HB MET 3 9.023 -5.895 11.899 17 HB3 MET 3 3HB MET 3 9.540 -5.294 10.323 18 HG2 MET 3 2HG MET 3 8.988 -3.098 10.803 19 HG3 MET 3 3HG MET 3 7.809 -3.520 12.054 20 HE1 MET 3 1HE MET 3 9.758 -1.231 12.524 21 HE2 MET 3 2HE MET 3 8.567 -1.837 13.698 22 HE3 MET 3 3HE MET 3 10.253 -1.573 14.204 23 H THR 4 H THR 4 5.720 -7.659 10.565 24 HA THR 4 HA THR 4 7.526 -9.602 9.261 25 HB THR 4 HB THR 4 5.257 -10.254 11.060 26 HG1 THR 4 1HG THR 4 7.989 -9.992 11.695 27 HG21 THR 4 1HG2 THR 4 6.451 -12.424 11.265 28 HG22 THR 4 2HG2 THR 4 7.636 -11.836 10.061 29 HG23 THR 4 3HG2 THR 4 5.921 -12.049 9.611 30 H ALA 5 H ALA 5 4.013 -9.198 9.752 31 HA ALA 5 HA ALA 5 3.439 -10.437 7.231 32 HB1 ALA 5 1HB ALA 5 1.126 -9.757 7.737 33 HB2 ALA 5 2HB ALA 5 1.921 -10.438 9.165 34 HB3 ALA 5 3HB ALA 5 1.703 -8.670 9.037 35 H VAL 6 H VAL 6 3.420 -6.993 8.199 36 HA VAL 6 HA VAL 6 2.673 -5.934 5.717 37 HB VAL 6 HB VAL 6 2.786 -4.894 8.101 38 HG11 VAL 6 1HG1 VAL 6 5.289 -4.903 8.290 39 HG12 VAL 6 2HG1 VAL 6 5.350 -3.690 6.986 40 HG13 VAL 6 3HG1 VAL 6 4.551 -3.304 8.525 41 HG21 VAL 6 1HG2 VAL 6 1.675 -3.904 6.203 42 HG22 VAL 6 2HG2 VAL 6 2.524 -2.667 7.116 43 HG23 VAL 6 3HG2 VAL 6 3.216 -3.261 5.583 44 H GLN 7 H GLN 7 5.731 -6.981 6.883 45 HA GLN 7 HA GLN 7 7.442 -5.598 5.065 46 HB2 GLN 7 2HB GLN 7 8.158 -6.314 7.288 47 HB3 GLN 7 3HB GLN 7 7.635 -7.965 7.010 48 HG2 GLN 7 2HG GLN 7 9.933 -8.104 6.939 49 HG3 GLN 7 3HG GLN 7 9.518 -8.112 5.234 50 HE21 GLN 7 1HE2 GLN 7 9.121 -5.524 4.514 51 HE22 GLN 7 2HE2 GLN 7 10.352 -4.481 5.156 52 H ASP 8 H ASP 8 6.854 -8.932 5.498 53 HA ASP 8 HA ASP 8 7.636 -10.196 3.161 54 HB2 ASP 8 2HB ASP 8 6.843 -11.136 5.406 55 HB3 ASP 8 3HB ASP 8 5.186 -10.962 4.816 56 H PHE 9 H PHE 9 4.415 -8.687 3.762 57 HA PHE 9 HA PHE 9 3.385 -9.202 1.129 58 HB2 PHE 9 2HB PHE 9 1.917 -8.373 3.105 59 HB3 PHE 9 3HB PHE 9 2.867 -6.902 3.082 60 HD1 PHE 9 1HD PHE 9 2.172 -5.048 1.873 61 HD2 PHE 9 2HD PHE 9 1.126 -8.963 0.471 62 HE1 PHE 9 1HE PHE 9 1.089 -4.048 -0.124 63 HE2 PHE 9 2HE PHE 9 0.067 -7.939 -1.541 64 HZ PHE 9 HZ PHE 9 -0.074 -5.484 -1.768 65 H VAL 10 H VAL 10 4.917 -6.239 2.449 66 HA VAL 10 HA VAL 10 4.892 -4.719 0.107 67 HB VAL 10 HB VAL 10 6.839 -4.724 2.417 68 HG11 VAL 10 1HG1 VAL 10 8.210 -3.835 0.631 69 HG12 VAL 10 2HG1 VAL 10 6.898 -2.769 0.088 70 HG13 VAL 10 3HG1 VAL 10 7.682 -2.505 1.662 71 HG21 VAL 10 1HG2 VAL 10 4.321 -3.865 2.421 72 HG22 VAL 10 2HG2 VAL 10 5.604 -2.898 3.196 73 HG23 VAL 10 3HG2 VAL 10 5.004 -2.474 1.574 74 H VAL 11 H VAL 11 7.605 -6.862 1.025 75 HA VAL 11 HA VAL 11 9.404 -6.313 -1.001 76 HB VAL 11 HB VAL 11 10.240 -8.619 -0.829 77 HG11 VAL 11 1HG1 VAL 11 11.232 -6.732 0.412 78 HG12 VAL 11 2HG1 VAL 11 9.991 -6.894 1.675 79 HG13 VAL 11 3HG1 VAL 11 11.190 -8.186 1.428 80 HG21 VAL 11 1HG2 VAL 11 9.368 -9.951 0.976 81 HG22 VAL 11 2HG2 VAL 11 8.230 -8.620 1.356 82 HG23 VAL 11 3HG2 VAL 11 8.061 -9.479 -0.172 83 H ASP 12 H ASP 12 6.500 -8.152 -1.379 84 HA ASP 12 HA ASP 12 7.032 -9.608 -3.777 85 HB2 ASP 12 2HB ASP 12 5.140 -9.703 -1.818 86 HB3 ASP 12 3HB ASP 12 4.235 -8.826 -3.007 87 H ILE 13 H ILE 13 5.286 -6.544 -3.344 88 HA ILE 13 HA ILE 13 5.088 -5.554 -6.167 89 HB ILE 13 HB ILE 13 5.234 -4.207 -3.515 90 HG12 ILE 13 2HG1 ILE 13 2.847 -3.716 -3.953 91 HG13 ILE 13 3HG1 ILE 13 2.867 -4.832 -5.327 92 HG21 ILE 13 1HG2 ILE 13 4.675 -3.246 -6.359 93 HG22 ILE 13 2HG2 ILE 13 4.404 -2.270 -4.895 94 HG23 ILE 13 3HG2 ILE 13 6.034 -2.751 -5.339 95 HD11 ILE 13 1HD1 ILE 13 3.082 -6.720 -3.844 96 HD12 ILE 13 2HD1 ILE 13 3.474 -5.672 -2.451 97 HD13 ILE 13 3HD1 ILE 13 1.856 -5.682 -3.161 98 H LEU 14 H LEU 14 7.323 -5.341 -3.430 99 HA LEU 14 HA LEU 14 8.805 -3.310 -4.409 100 HB2 LEU 14 2HB LEU 14 8.721 -4.946 -2.080 101 HB3 LEU 14 3HB LEU 14 10.312 -5.210 -2.690 102 HG LEU 14 HG LEU 14 9.178 -2.599 -1.725 103 HD11 LEU 14 1HD1 LEU 14 11.731 -4.170 -1.039 104 HD12 LEU 14 2HD1 LEU 14 10.214 -4.315 -0.136 105 HD13 LEU 14 3HD1 LEU 14 11.064 -2.760 -0.178 106 HD21 LEU 14 1HD2 LEU 14 10.305 -2.014 -3.746 107 HD22 LEU 14 2HD2 LEU 14 11.637 -3.149 -3.458 108 HD23 LEU 14 3HD2 LEU 14 11.460 -1.689 -2.442 109 H LEU 15 H LEU 15 9.941 -6.676 -4.261 110 HA LEU 15 HA LEU 15 12.240 -6.220 -6.070 111 HB2 LEU 15 2HB LEU 15 11.354 -8.500 -4.220 112 HB3 LEU 15 3HB LEU 15 12.814 -8.549 -5.186 113 HG LEU 15 HG LEU 15 12.230 -6.549 -2.947 114 HD11 LEU 15 1HD1 LEU 15 13.929 -7.803 -1.683 115 HD12 LEU 15 2HD1 LEU 15 14.104 -8.948 -3.035 116 HD13 LEU 15 3HD1 LEU 15 12.577 -8.850 -2.137 117 HD21 LEU 15 1HD2 LEU 15 14.751 -6.971 -4.613 118 HD22 LEU 15 2HD2 LEU 15 14.651 -5.967 -3.155 119 HD23 LEU 15 3HD2 LEU 15 13.730 -5.517 -4.589 120 H ASN 16 H ASN 16 9.507 -8.488 -5.667 121 HA ASN 16 HA ASN 16 10.037 -9.726 -8.243 122 HB2 ASN 16 2HB ASN 16 7.630 -10.156 -6.436 123 HB3 ASN 16 3HB ASN 16 8.200 -11.198 -7.721 124 HD21 ASN 16 1HD2 ASN 16 8.038 -11.117 -4.495 125 HD22 ASN 16 2HD2 ASN 16 9.563 -11.885 -4.074 126 H GLY 17 H GLY 17 8.136 -6.953 -7.227 127 HA2 GLY 17 2HA GLY 17 7.033 -5.465 -8.698 128 HA3 GLY 17 3HA GLY 17 7.084 -6.647 -9.985 129 H ALA 18 H ALA 18 4.982 -5.005 -8.902 130 HA ALA 18 HA ALA 18 3.019 -6.578 -7.518 131 HB1 ALA 18 1HB ALA 18 1.543 -4.670 -8.119 132 HB2 ALA 18 2HB ALA 18 3.104 -4.071 -7.594 133 HB3 ALA 18 3HB ALA 18 2.726 -4.121 -9.321 134 H ARG 19 H ARG 19 0.803 -6.593 -8.573 135 HA ARG 19 HA ARG 19 0.369 -7.856 -11.137 136 HB2 ARG 19 2HB ARG 19 -1.531 -6.052 -9.693 137 HB3 ARG 19 3HB ARG 19 -1.921 -7.391 -10.824 138 HG2 ARG 19 2HG ARG 19 -0.861 -7.590 -8.003 139 HG3 ARG 19 3HG ARG 19 -2.482 -7.802 -8.500 140 HD2 ARG 19 2HD ARG 19 -1.767 -9.841 -8.032 141 HD3 ARG 19 3HD ARG 19 -1.882 -9.842 -9.784 142 HE ARG 19 HE ARG 19 0.701 -9.573 -9.648 143 HH11 ARG 19 1HH1 ARG 19 0.005 -12.660 -7.162 144 HH12 ARG 19 2HH1 ARG 19 -1.190 -11.402 -7.251 145 HH21 ARG 19 1HH2 ARG 19 2.111 -12.268 -8.023 146 HH22 ARG 19 2HH2 ARG 19 2.365 -10.993 -9.182 147 H ASP 20 H ASP 20 -1.510 -5.895 -11.906 148 HA ASP 20 HA ASP 20 -0.181 -4.518 -13.969 149 HB2 ASP 20 2HB ASP 20 -2.607 -5.327 -13.714 150 HB3 ASP 20 3HB ASP 20 -2.888 -3.829 -12.780 151 H TRP 21 H TRP 21 0.530 -3.615 -10.981 152 HA TRP 21 HA TRP 21 0.162 -0.780 -11.190 153 HB2 TRP 21 2HB TRP 21 1.410 -2.341 -8.871 154 HB3 TRP 21 3HB TRP 21 0.880 -0.543 -8.943 155 HD1 TRP 21 1HD TRP 21 -1.441 -3.638 -9.955 156 HE1 TRP 21 1HE TRP 21 -3.650 -3.288 -8.815 157 HE3 TRP 21 3HE TRP 21 -0.147 0.391 -7.086 158 HZ2 TRP 21 2HZ TRP 21 -4.848 -1.234 -7.195 159 HZ3 TRP 21 3HZ TRP 21 -1.915 1.641 -5.859 160 HH2 TRP 21 2HH TRP 21 -4.215 0.747 -5.782 161 H ASP 22 H ASP 22 1.938 0.681 -10.629 162 HA ASP 22 HA ASP 22 4.450 -0.057 -11.912 163 HB2 ASP 22 2HB ASP 22 3.315 1.664 -13.153 164 HB3 ASP 22 3HB ASP 22 2.956 2.568 -11.685 165 H VAL 23 H VAL 23 6.388 1.169 -10.485 166 HA VAL 23 HA VAL 23 5.672 0.104 -7.852 167 HB VAL 23 HB VAL 23 8.032 -0.903 -9.492 168 HG11 VAL 23 1HG1 VAL 23 7.472 -1.269 -6.513 169 HG12 VAL 23 2HG1 VAL 23 8.695 -2.177 -7.423 170 HG13 VAL 23 3HG1 VAL 23 8.864 -0.439 -7.238 171 HG21 VAL 23 1HG2 VAL 23 7.115 -3.159 -8.954 172 HG22 VAL 23 2HG2 VAL 23 5.743 -2.380 -8.121 173 HG23 VAL 23 3HG2 VAL 23 5.952 -2.186 -9.871 174 H LEU 24 H LEU 24 5.742 1.733 -6.821 175 HA LEU 24 HA LEU 24 7.874 3.774 -7.250 176 HB2 LEU 24 2HB LEU 24 4.878 3.836 -7.149 177 HB3 LEU 24 3HB LEU 24 5.646 5.010 -6.386 178 HG LEU 24 HG LEU 24 5.013 5.799 -8.544 179 HD11 LEU 24 1HD1 LEU 24 7.049 7.009 -9.038 180 HD12 LEU 24 2HD1 LEU 24 7.982 5.822 -8.124 181 HD13 LEU 24 3HD1 LEU 24 6.819 6.854 -7.282 182 HD21 LEU 24 1HD2 LEU 24 6.131 5.129 -10.563 183 HD22 LEU 24 2HD2 LEU 24 5.410 3.695 -9.791 184 HD23 LEU 24 3HD2 LEU 24 7.157 4.005 -9.666 185 H GLN 25 H GLN 25 8.958 3.897 -5.645 186 HA GLN 25 HA GLN 25 7.870 3.746 -2.865 187 HB2 GLN 25 2HB GLN 25 10.736 3.501 -3.827 188 HB3 GLN 25 3HB GLN 25 10.300 3.899 -2.186 189 HG2 GLN 25 2HG GLN 25 9.975 1.745 -1.739 190 HG3 GLN 25 3HG GLN 25 8.568 1.746 -2.771 191 HE21 GLN 25 1HE2 GLN 25 8.662 0.647 -4.824 192 HE22 GLN 25 2HE2 GLN 25 10.091 -0.298 -5.232 193 H THR 26 H THR 26 6.735 5.425 -3.006 194 HA THR 26 HA THR 26 8.143 7.930 -2.382 195 HB THR 26 HB THR 26 7.301 8.190 -4.641 196 HG1 THR 26 1HG THR 26 6.185 10.101 -4.198 197 HG21 THR 26 1HG2 THR 26 5.340 6.775 -4.766 198 HG22 THR 26 2HG2 THR 26 4.872 8.456 -5.079 199 HG23 THR 26 3HG2 THR 26 4.529 7.731 -3.493 200 H THR 27 H THR 27 5.870 9.358 -1.377 201 HA THR 27 HA THR 27 4.800 7.668 0.754 202 HB THR 27 HB THR 27 5.597 9.098 2.544 203 HG1 THR 27 1HG THR 27 7.587 10.401 1.805 204 HG21 THR 27 1HG2 THR 27 6.950 7.047 1.911 205 HG22 THR 27 2HG2 THR 27 7.850 8.312 2.758 206 HG23 THR 27 3HG2 THR 27 8.040 8.124 0.996 207 H CYS 28 H CYS 28 2.811 8.502 1.262 208 HA CYS 28 HA CYS 28 2.046 11.057 -0.115 209 HB2 CYS 28 2HB CYS 28 1.154 9.098 -1.075 210 HB3 CYS 28 3HB CYS 28 0.610 8.445 0.366 211 HG CYS 28 HG CYS 28 -0.279 11.036 -1.606 212 H THR 29 H THR 29 0.640 12.385 0.831 213 HA THR 29 HA THR 29 0.549 12.069 3.742 214 HB THR 29 HB THR 29 0.368 14.786 2.281 215 HG1 THR 29 1HG THR 29 2.194 14.284 1.451 216 HG21 THR 29 1HG2 THR 29 -0.139 14.984 4.591 217 HG22 THR 29 2HG2 THR 29 1.473 15.668 4.346 218 HG23 THR 29 3HG2 THR 29 1.272 14.056 5.071 219 H VAL 30 H VAL 30 -1.161 11.748 4.584 220 HA VAL 30 HA VAL 30 -3.658 13.105 3.887 221 HB VAL 30 HB VAL 30 -3.629 10.075 3.377 222 HG11 VAL 30 1HG1 VAL 30 -5.953 10.557 2.518 223 HG12 VAL 30 2HG1 VAL 30 -5.820 10.878 4.248 224 HG13 VAL 30 3HG1 VAL 30 -5.806 12.231 3.079 225 HG21 VAL 30 1HG2 VAL 30 -4.252 10.656 1.061 226 HG22 VAL 30 2HG2 VAL 30 -3.911 12.357 1.380 227 HG23 VAL 30 3HG2 VAL 30 -2.611 11.138 1.458 228 H ASP 31 H ASP 31 -5.342 12.724 5.464 229 HA ASP 31 HA ASP 31 -6.174 12.533 7.581 230 HB2 ASP 31 2HB ASP 31 -4.927 10.080 7.033 231 HB3 ASP 31 3HB ASP 31 -4.157 10.497 8.505 232 H ARG 32 H ARG 32 -3.552 13.993 7.006 233 HA ARG 32 HA ARG 32 -2.128 15.493 8.071 234 HB2 ARG 32 2HB ARG 32 -2.959 14.509 10.813 235 HB3 ARG 32 3HB ARG 32 -2.217 16.019 10.405 236 HG2 ARG 32 2HG ARG 32 -4.174 16.974 9.614 237 HG3 ARG 32 3HG ARG 32 -5.011 15.471 9.346 238 HD2 ARG 32 2HD ARG 32 -4.260 16.484 12.099 239 HD3 ARG 32 3HD ARG 32 -5.852 16.648 11.334 240 HE ARG 32 HE ARG 32 -5.070 13.892 11.288 241 HH11 ARG 32 1HH1 ARG 32 -7.273 15.235 14.361 242 HH12 ARG 32 2HH1 ARG 32 -6.222 16.323 13.542 243 HH21 ARG 32 1HH2 ARG 32 -6.979 13.032 14.084 244 HH22 ARG 32 2HH2 ARG 32 -6.223 12.433 12.617 245 H LYS 33 H LYS 33 -1.842 12.470 7.645 246 HA LYS 33 HA LYS 33 0.605 11.882 9.244 247 HB2 LYS 33 2HB LYS 33 -1.309 10.491 10.042 248 HB3 LYS 33 3HB LYS 33 -1.588 9.928 8.396 249 HG2 LYS 33 2HG LYS 33 0.259 8.616 8.344 250 HG3 LYS 33 3HG LYS 33 1.182 9.606 9.498 251 HD2 LYS 33 2HD LYS 33 0.810 8.061 11.061 252 HD3 LYS 33 3HD LYS 33 -0.884 8.574 11.081 253 HE2 LYS 33 2HE LYS 33 -1.242 7.044 9.120 254 HE3 LYS 33 3HE LYS 33 0.390 6.360 9.385 255 HZ1 LYS 33 1HZ LYS 33 -0.324 5.704 11.582 256 HZ2 LYS 33 2HZ LYS 33 -1.177 5.025 10.382 257 HZ3 LYS 33 3HZ LYS 33 -1.846 6.255 11.321 258 H VAL 34 H VAL 34 2.198 10.531 7.961 259 HA VAL 34 HA VAL 34 1.656 10.631 5.018 260 HB VAL 34 HB VAL 34 4.110 10.920 6.604 261 HG11 VAL 34 1HG1 VAL 34 5.465 10.970 4.472 262 HG12 VAL 34 2HG1 VAL 34 4.793 9.380 4.799 263 HG13 VAL 34 3HG1 VAL 34 4.020 10.437 3.594 264 HG21 VAL 34 1HG2 VAL 34 3.026 12.687 4.437 265 HG22 VAL 34 2HG2 VAL 34 2.965 13.003 6.190 266 HG23 VAL 34 3HG2 VAL 34 4.514 12.980 5.349 267 H TYR 35 H TYR 35 1.780 8.819 3.948 268 HA TYR 35 HA TYR 35 2.313 6.204 5.308 269 HB2 TYR 35 2HB TYR 35 0.504 6.932 2.945 270 HB3 TYR 35 3HB TYR 35 0.665 5.351 3.737 271 HD1 TYR 35 1HD TYR 35 -0.835 8.661 3.941 272 HD2 TYR 35 2HD TYR 35 0.092 4.997 6.016 273 HE1 TYR 35 1HE TYR 35 -2.628 9.152 5.552 274 HE2 TYR 35 2HE TYR 35 -1.781 5.446 7.643 275 HH TYR 35 HH TYR 35 -3.798 8.378 7.475 276 H LYS 36 H LYS 36 3.758 4.801 4.275 277 HA LYS 36 HA LYS 36 5.096 5.991 1.930 278 HB2 LYS 36 2HB LYS 36 5.903 3.632 3.549 279 HB3 LYS 36 3HB LYS 36 6.908 4.574 2.516 280 HG2 LYS 36 2HG LYS 36 6.950 6.422 4.083 281 HG3 LYS 36 3HG LYS 36 5.684 5.703 5.081 282 HD2 LYS 36 2HD LYS 36 8.046 5.567 5.952 283 HD3 LYS 36 3HD LYS 36 7.099 4.095 5.988 284 HE2 LYS 36 2HE LYS 36 8.301 3.059 4.283 285 HE3 LYS 36 3HE LYS 36 8.913 4.593 3.623 286 HZ1 LYS 36 1HZ LYS 36 9.733 3.570 6.288 287 HZ2 LYS 36 2HZ LYS 36 10.350 4.833 5.469 288 HZ3 LYS 36 3HZ LYS 36 10.595 3.294 4.926 289 H THR 37 H THR 37 5.089 5.238 -0.070 290 HA THR 37 HA THR 37 3.041 3.288 -0.643 291 HB THR 37 HB THR 37 2.883 4.107 -2.810 292 HG1 THR 37 1HG THR 37 5.072 4.216 -3.333 293 HG21 THR 37 1HG2 THR 37 3.514 6.529 -1.042 294 HG22 THR 37 2HG2 THR 37 1.952 5.677 -1.145 295 HG23 THR 37 3HG2 THR 37 2.596 6.539 -2.549 296 H ILE 38 H ILE 38 3.341 1.670 -2.171 297 HA ILE 38 HA ILE 38 6.163 0.675 -2.577 298 HB ILE 38 HB ILE 38 3.763 -1.081 -3.191 299 HG12 ILE 38 2HG1 ILE 38 4.510 -0.312 -0.270 300 HG13 ILE 38 3HG1 ILE 38 2.945 -0.137 -1.075 301 HG21 ILE 38 1HG2 ILE 38 6.328 -1.664 -3.327 302 HG22 ILE 38 2HG2 ILE 38 6.494 -1.309 -1.623 303 HG23 ILE 38 3HG2 ILE 38 5.551 -2.692 -2.132 304 HD11 ILE 38 1HD1 ILE 38 2.830 -2.079 0.332 305 HD12 ILE 38 2HD1 ILE 38 2.685 -2.556 -1.375 306 HD13 ILE 38 3HD1 ILE 38 4.193 -2.818 -0.498 307 H CYS 39 H CYS 39 3.095 1.207 -4.006 308 HA CYS 39 HA CYS 39 4.058 1.164 -6.764 309 HB2 CYS 39 2HB CYS 39 2.326 -0.798 -7.256 310 HB3 CYS 39 3HB CYS 39 3.714 -1.069 -6.583 311 HG CYS 39 HG CYS 39 0.746 -0.379 -5.143 312 H LYS 40 H LYS 40 2.586 1.995 -8.152 313 HA LYS 40 HA LYS 40 0.100 2.854 -7.055 314 HB2 LYS 40 2HB LYS 40 0.168 5.013 -8.365 315 HB3 LYS 40 3HB LYS 40 1.599 4.965 -7.290 316 HG2 LYS 40 2HG LYS 40 3.037 4.398 -8.839 317 HG3 LYS 40 3HG LYS 40 1.804 3.999 -10.087 318 HD2 LYS 40 2HD LYS 40 1.116 6.607 -9.361 319 HD3 LYS 40 3HD LYS 40 2.841 6.576 -9.072 320 HE2 LYS 40 2HE LYS 40 2.853 5.333 -11.437 321 HE3 LYS 40 3HE LYS 40 1.102 5.748 -11.438 322 HZ1 LYS 40 1HZ LYS 40 1.697 7.972 -11.937 323 HZ2 LYS 40 2HZ LYS 40 2.914 7.210 -12.673 324 HZ3 LYS 40 3HZ LYS 40 3.195 7.876 -11.208 325 H ARG 41 H ARG 41 -1.685 3.131 -8.445 326 HA ARG 41 HA ARG 41 -1.194 2.291 -11.231 327 HB2 ARG 41 2HB ARG 41 -1.968 0.196 -9.991 328 HB3 ARG 41 3HB ARG 41 -3.458 1.025 -9.753 329 HG2 ARG 41 2HG ARG 41 -3.442 1.584 -12.356 330 HG3 ARG 41 3HG ARG 41 -2.174 0.361 -12.322 331 HD2 ARG 41 2HD ARG 41 -3.804 -1.164 -11.136 332 HD3 ARG 41 3HD ARG 41 -5.029 0.029 -11.284 333 HE ARG 41 HE ARG 41 -3.642 -1.272 -13.682 334 HH11 ARG 41 1HH1 ARG 41 -7.554 -0.499 -13.808 335 HH12 ARG 41 2HH1 ARG 41 -6.818 -0.542 -12.240 336 HH21 ARG 41 1HH2 ARG 41 -6.388 -1.156 -15.686 337 HH22 ARG 41 2HH2 ARG 41 -4.716 -1.606 -15.434 338 H GLY 42 H GLY 42 -1.785 3.904 -12.213 339 HA2 GLY 42 2HA GLY 42 -2.901 5.808 -12.851 340 HA3 GLY 42 3HA GLY 42 -4.384 5.107 -12.251 341 H ASN 43 H ASN 43 -5.374 6.342 -10.847 342 HA ASN 43 HA ASN 43 -3.991 8.531 -9.471 343 HB2 ASN 43 2HB ASN 43 -5.955 9.562 -9.294 344 HB3 ASN 43 3HB ASN 43 -6.413 8.527 -10.596 345 HD21 ASN 43 1HD2 ASN 43 -7.473 6.377 -9.784 346 HD22 ASN 43 2HD2 ASN 43 -8.542 6.591 -8.375 347 H THR 44 H THR 44 -3.805 5.455 -8.732 348 HA THR 44 HA THR 44 -4.143 5.913 -5.815 349 HB THR 44 HB THR 44 -5.991 4.622 -6.561 350 HG1 THR 44 1HG THR 44 -5.688 4.183 -4.586 351 HG21 THR 44 1HG2 THR 44 -5.517 3.169 -8.234 352 HG22 THR 44 2HG2 THR 44 -5.597 2.093 -6.909 353 HG23 THR 44 3HG2 THR 44 -3.985 2.548 -7.568 354 H TYR 45 H TYR 45 -2.837 4.480 -4.439 355 HA TYR 45 HA TYR 45 -0.155 4.004 -5.193 356 HB2 TYR 45 2HB TYR 45 -0.950 6.423 -3.557 357 HB3 TYR 45 3HB TYR 45 0.616 5.628 -3.397 358 HD1 TYR 45 1HD TYR 45 -1.634 7.224 -5.841 359 HD2 TYR 45 2HD TYR 45 2.424 6.209 -4.850 360 HE1 TYR 45 1HE TYR 45 -0.802 8.726 -7.702 361 HE2 TYR 45 2HE TYR 45 3.261 7.732 -6.618 362 HH TYR 45 HH TYR 45 2.679 9.496 -8.008 363 H LEU 46 H LEU 46 -0.058 2.237 -4.096 364 HA LEU 46 HA LEU 46 -1.759 1.704 -1.711 365 HB2 LEU 46 2HB LEU 46 -0.517 0.222 -3.937 366 HB3 LEU 46 3HB LEU 46 0.186 -0.168 -2.555 367 HG LEU 46 HG LEU 46 -1.530 -1.689 -3.121 368 HD11 LEU 46 1HD1 LEU 46 -1.211 -1.839 -0.796 369 HD12 LEU 46 2HD1 LEU 46 -2.946 -2.064 -1.231 370 HD13 LEU 46 3HD1 LEU 46 -2.377 -0.526 -0.498 371 HD21 LEU 46 1HD2 LEU 46 -3.761 -1.219 -3.410 372 HD22 LEU 46 2HD2 LEU 46 -3.030 0.329 -3.919 373 HD23 LEU 46 3HD2 LEU 46 -3.706 0.200 -2.299 374 H CYS 47 H CYS 47 -0.904 1.870 0.256 375 HA CYS 47 HA CYS 47 2.026 2.109 0.669 376 HB2 CYS 47 2HB CYS 47 1.015 3.879 2.463 377 HB3 CYS 47 3HB CYS 47 1.548 4.376 0.882 378 HG CYS 47 HG CYS 47 -0.767 5.537 1.754 379 H PHE 48 H PHE 48 2.491 2.326 3.038 380 HA PHE 48 HA PHE 48 0.819 0.608 4.702 381 HB2 PHE 48 2HB PHE 48 2.413 -1.077 5.059 382 HB3 PHE 48 3HB PHE 48 2.309 -0.890 3.306 383 HD1 PHE 48 1HD PHE 48 4.085 0.448 2.076 384 HD2 PHE 48 2HD PHE 48 4.490 -0.946 6.110 385 HE1 PHE 48 1HE PHE 48 6.536 0.572 1.854 386 HE2 PHE 48 2HE PHE 48 6.919 -0.834 5.936 387 HZ PHE 48 HZ PHE 48 8.003 -0.160 3.775 388 H ASP 49 H ASP 49 1.363 0.480 6.822 389 HA ASP 49 HA ASP 49 3.350 2.450 7.851 390 HB2 ASP 49 2HB ASP 49 0.790 1.714 9.240 391 HB3 ASP 49 3HB ASP 49 2.049 2.731 9.911 392 H ASP 50 H ASP 50 2.868 1.447 10.529 393 HA ASP 50 HA ASP 50 4.514 -0.844 10.218 394 HB2 ASP 50 2HB ASP 50 3.348 0.332 12.767 395 HB3 ASP 50 3HB ASP 50 4.772 -0.754 12.703 396 H THR 51 H THR 51 1.256 -0.636 10.371 397 HA THR 51 HA THR 51 0.642 -3.103 11.916 398 HB THR 51 HB THR 51 -1.617 -1.944 11.967 399 HG1 THR 51 1HG THR 51 -1.872 -0.424 10.600 400 HG21 THR 51 1HG2 THR 51 -1.099 -0.038 13.336 401 HG22 THR 51 2HG2 THR 51 0.611 -0.087 12.850 402 HG23 THR 51 3HG2 THR 51 -0.081 -1.426 13.814 403 H ASN 52 H ASN 52 0.392 -1.853 8.633 404 HA ASN 52 HA ASN 52 -1.150 -3.593 7.291 405 HB2 ASN 52 2HB ASN 52 -3.339 -2.512 7.297 406 HB3 ASN 52 3HB ASN 52 -3.104 -3.494 8.678 407 HD21 ASN 52 1HD2 ASN 52 -3.411 -0.154 7.448 408 HD22 ASN 52 2HD2 ASN 52 -3.664 0.545 9.013 409 H LEU 53 H LEU 53 -2.678 -2.172 5.797 410 HA LEU 53 HA LEU 53 -0.931 -0.199 4.462 411 HB2 LEU 53 2HB LEU 53 -2.388 -2.719 3.582 412 HB3 LEU 53 3HB LEU 53 -2.071 -1.470 2.406 413 HG LEU 53 HG LEU 53 0.377 -1.616 3.780 414 HD11 LEU 53 1HD1 LEU 53 -0.408 -3.589 5.033 415 HD12 LEU 53 2HD1 LEU 53 0.965 -3.921 3.968 416 HD13 LEU 53 3HD1 LEU 53 -0.677 -4.409 3.487 417 HD21 LEU 53 1HD2 LEU 53 0.196 -1.717 1.278 418 HD22 LEU 53 2HD2 LEU 53 -0.244 -3.435 1.510 419 HD23 LEU 53 3HD2 LEU 53 1.336 -2.876 2.034 420 H TYR 54 H TYR 54 -1.927 0.969 2.710 421 HA TYR 54 HA TYR 54 -4.749 1.630 3.187 422 HB2 TYR 54 2HB TYR 54 -2.750 3.886 3.162 423 HB3 TYR 54 3HB TYR 54 -4.406 3.907 3.544 424 HD1 TYR 54 1HD TYR 54 -1.207 2.280 4.968 425 HD2 TYR 54 2HD TYR 54 -5.039 4.072 5.756 426 HE1 TYR 54 1HE TYR 54 -0.980 1.717 7.356 427 HE2 TYR 54 2HE TYR 54 -4.661 3.817 8.171 428 HH TYR 54 HH TYR 54 -3.294 2.914 9.831 429 H ALA 55 H ALA 55 -5.742 2.241 1.197 430 HA ALA 55 HA ALA 55 -3.907 2.636 -1.172 431 HB1 ALA 55 1HB ALA 55 -5.865 2.168 -2.584 432 HB2 ALA 55 2HB ALA 55 -5.699 0.812 -1.453 433 HB3 ALA 55 3HB ALA 55 -6.931 2.042 -1.180 434 H ILE 56 H ILE 56 -3.390 4.709 -1.381 435 HA ILE 56 HA ILE 56 -5.385 6.726 -0.522 436 HB ILE 56 HB ILE 56 -2.501 7.012 -1.121 437 HG12 ILE 56 2HG1 ILE 56 -3.820 8.261 1.233 438 HG13 ILE 56 3HG1 ILE 56 -3.812 6.478 1.243 439 HG21 ILE 56 1HG2 ILE 56 -3.433 8.966 -2.208 440 HG22 ILE 56 2HG2 ILE 56 -4.773 9.067 -1.035 441 HG23 ILE 56 3HG2 ILE 56 -3.171 9.535 -0.558 442 HD11 ILE 56 1HD1 ILE 56 -1.893 6.868 2.332 443 HD12 ILE 56 2HD1 ILE 56 -1.193 7.020 0.703 444 HD13 ILE 56 3HD1 ILE 56 -1.653 8.478 1.607 445 H THR 57 H THR 57 -6.946 6.860 -2.049 446 HA THR 57 HA THR 57 -6.191 6.788 -4.934 447 HB THR 57 HB THR 57 -8.864 6.209 -3.655 448 HG1 THR 57 1HG THR 57 -8.217 4.126 -4.044 449 HG21 THR 57 1HG2 THR 57 -9.333 5.217 -5.883 450 HG22 THR 57 2HG2 THR 57 -7.768 5.821 -6.456 451 HG23 THR 57 3HG2 THR 57 -9.073 6.944 -6.012 452 H GLY 58 H GLY 58 -5.527 8.715 -5.100 453 HA2 GLY 58 2HA GLY 58 -5.612 10.954 -5.820 454 HA3 GLY 58 3HA GLY 58 -7.330 11.026 -5.265 455 H ASP 59 H ASP 59 -7.678 11.134 -3.028 456 HA ASP 59 HA ASP 59 -5.520 12.100 -1.159 457 HB2 ASP 59 2HB ASP 59 -7.192 13.777 -2.559 458 HB3 ASP 59 3HB ASP 59 -8.243 13.395 -1.217 459 H VAL 60 H VAL 60 -7.277 9.623 -1.560 460 HA VAL 60 HA VAL 60 -9.157 9.777 0.779 461 HB VAL 60 HB VAL 60 -9.125 8.735 -1.933 462 HG11 VAL 60 1HG1 VAL 60 -9.158 6.557 -1.513 463 HG12 VAL 60 2HG1 VAL 60 -10.267 6.736 -0.137 464 HG13 VAL 60 3HG1 VAL 60 -10.845 6.966 -1.806 465 HG21 VAL 60 1HG2 VAL 60 -11.367 9.265 -2.175 466 HG22 VAL 60 2HG2 VAL 60 -11.525 9.606 -0.416 467 HG23 VAL 60 3HG2 VAL 60 -10.429 10.574 -1.465 468 H VAL 61 H VAL 61 -8.006 8.960 2.463 469 HA VAL 61 HA VAL 61 -6.159 6.752 2.088 470 HB VAL 61 HB VAL 61 -5.655 8.515 3.593 471 HG11 VAL 61 1HG1 VAL 61 -6.615 8.850 5.763 472 HG12 VAL 61 2HG1 VAL 61 -7.941 8.928 4.595 473 HG13 VAL 61 3HG1 VAL 61 -7.710 7.473 5.588 474 HG21 VAL 61 1HG2 VAL 61 -5.893 5.827 4.970 475 HG22 VAL 61 2HG2 VAL 61 -4.627 6.305 3.805 476 HG23 VAL 61 3HG2 VAL 61 -4.751 7.110 5.386 477 H LEU 62 H LEU 62 -7.255 4.976 1.324 478 HA LEU 62 HA LEU 62 -9.335 3.816 3.058 479 HB2 LEU 62 2HB LEU 62 -9.767 3.873 0.739 480 HB3 LEU 62 3HB LEU 62 -8.302 3.048 0.320 481 HG LEU 62 HG LEU 62 -9.148 0.971 0.711 482 HD11 LEU 62 1HD1 LEU 62 -10.997 0.386 2.341 483 HD12 LEU 62 2HD1 LEU 62 -10.869 2.032 2.998 484 HD13 LEU 62 3HD1 LEU 62 -9.496 0.891 3.084 485 HD21 LEU 62 1HD2 LEU 62 -10.703 2.174 -0.808 486 HD22 LEU 62 2HD2 LEU 62 -11.727 2.568 0.601 487 HD23 LEU 62 3HD2 LEU 62 -11.516 0.870 0.087 488 H LYS 63 H LYS 63 -8.080 3.572 4.766 489 HA LYS 63 HA LYS 63 -5.988 1.743 5.300 490 HB2 LYS 63 2HB LYS 63 -7.122 1.574 7.581 491 HB3 LYS 63 3HB LYS 63 -6.670 3.174 7.054 492 HG2 LYS 63 2HG LYS 63 -8.725 3.995 7.069 493 HG3 LYS 63 3HG LYS 63 -9.447 2.613 6.272 494 HD2 LYS 63 2HD LYS 63 -8.701 2.660 9.226 495 HD3 LYS 63 3HD LYS 63 -10.292 3.077 8.595 496 HE2 LYS 63 2HE LYS 63 -8.900 0.382 8.232 497 HE3 LYS 63 3HE LYS 63 -10.180 0.750 9.423 498 HZ1 LYS 63 1HZ LYS 63 -11.310 -0.196 7.587 499 HZ2 LYS 63 2HZ LYS 63 -10.454 0.659 6.484 500 HZ3 LYS 63 3HZ LYS 63 -11.583 1.416 7.416 501 H PHE 64 H PHE 64 -5.751 -0.360 5.137 502 HA PHE 64 HA PHE 64 -7.979 -2.253 4.649 503 HB2 PHE 64 2HB PHE 64 -5.036 -2.661 4.680 504 HB3 PHE 64 3HB PHE 64 -6.150 -3.850 4.425 505 HD1 PHE 64 1HD PHE 64 -7.995 -3.501 2.546 506 HD2 PHE 64 2HD PHE 64 -4.313 -1.305 2.788 507 HE1 PHE 64 1HE PHE 64 -8.144 -2.979 0.163 508 HE2 PHE 64 2HE PHE 64 -4.458 -0.753 0.395 509 HZ PHE 64 HZ PHE 64 -6.308 -1.642 -0.955 510 H ALA 65 H ALA 65 -8.392 -3.954 6.157 511 HA ALA 65 HA ALA 65 -7.587 -3.567 8.975 512 HB1 ALA 65 1HB ALA 65 -9.965 -4.130 8.312 513 HB2 ALA 65 2HB ALA 65 -9.328 -5.697 7.699 514 HB3 ALA 65 3HB ALA 65 -9.196 -5.312 9.410 515 H THR 66 H THR 66 -5.718 -4.851 6.551 516 HA THR 66 HA THR 66 -4.447 -6.732 8.291 517 HB THR 66 HB THR 66 -5.056 -7.867 5.633 518 HG1 THR 66 1HG THR 66 -6.938 -7.902 7.823 519 HG21 THR 66 1HG2 THR 66 -3.748 -9.155 7.176 520 HG22 THR 66 2HG2 THR 66 -5.281 -9.978 6.847 521 HG23 THR 66 3HG2 THR 66 -5.041 -9.107 8.396 522 H VAL 67 H VAL 67 -2.649 -7.582 6.967 523 HA VAL 67 HA VAL 67 -1.714 -5.639 5.002 524 HB VAL 67 HB VAL 67 -0.633 -8.427 5.460 525 HG11 VAL 67 1HG1 VAL 67 -0.014 -6.662 3.673 526 HG12 VAL 67 2HG1 VAL 67 0.478 -5.671 5.087 527 HG13 VAL 67 3HG1 VAL 67 1.374 -7.148 4.771 528 HG21 VAL 67 1HG2 VAL 67 0.189 -5.984 7.062 529 HG22 VAL 67 2HG2 VAL 67 -0.453 -7.542 7.729 530 HG23 VAL 67 3HG2 VAL 67 1.079 -7.499 6.782 531 H SER 68 H SER 68 -2.728 -9.126 4.989 532 HA SER 68 HA SER 68 -2.434 -9.645 2.335 533 HB2 SER 68 2HB SER 68 -4.517 -10.815 4.203 534 HB3 SER 68 3HB SER 68 -3.823 -11.601 2.777 535 HG SER 68 HG SER 68 -2.792 -11.974 5.041 536 H LYS 69 H LYS 69 -5.000 -7.739 3.672 537 HA LYS 69 HA LYS 69 -6.931 -7.880 1.543 538 HB2 LYS 69 2HB LYS 69 -6.128 -5.439 3.144 539 HB3 LYS 69 3HB LYS 69 -7.691 -5.759 2.402 540 HG2 LYS 69 2HG LYS 69 -7.070 -7.781 4.414 541 HG3 LYS 69 3HG LYS 69 -6.747 -6.147 5.038 542 HD2 LYS 69 2HD LYS 69 -8.973 -6.501 5.631 543 HD3 LYS 69 3HD LYS 69 -8.982 -5.484 4.156 544 HE2 LYS 69 2HE LYS 69 -8.983 -7.942 2.964 545 HE3 LYS 69 3HE LYS 69 -9.226 -8.565 4.563 546 HZ1 LYS 69 1HZ LYS 69 -11.304 -8.581 3.709 547 HZ2 LYS 69 2HZ LYS 69 -11.231 -7.154 2.932 548 HZ3 LYS 69 3HZ LYS 69 -11.362 -7.261 4.607 549 H ALA 70 H ALA 70 -4.253 -5.534 2.117 550 HA ALA 70 HA ALA 70 -4.431 -4.135 -0.311 551 HB1 ALA 70 1HB ALA 70 -2.040 -4.877 1.418 552 HB2 ALA 70 2HB ALA 70 -2.022 -3.678 0.142 553 HB3 ALA 70 3HB ALA 70 -3.083 -3.436 1.545 554 H ARG 71 H ARG 71 -3.262 -7.412 0.145 555 HA ARG 71 HA ARG 71 -1.911 -7.558 -2.435 556 HB2 ARG 71 2HB ARG 71 -1.535 -9.142 -0.411 557 HB3 ARG 71 3HB ARG 71 -3.019 -9.926 -0.926 558 HG2 ARG 71 2HG ARG 71 -2.077 -10.847 -2.821 559 HG3 ARG 71 3HG ARG 71 -1.062 -9.444 -3.119 560 HD2 ARG 71 2HD ARG 71 0.438 -11.156 -2.650 561 HD3 ARG 71 3HD ARG 71 0.427 -10.150 -1.188 562 HE ARG 71 HE ARG 71 -1.462 -12.150 -0.720 563 HH11 ARG 71 1HH1 ARG 71 2.390 -13.380 -0.493 564 HH12 ARG 71 2HH1 ARG 71 1.997 -12.096 -1.567 565 HH21 ARG 71 1HH2 ARG 71 0.766 -14.485 0.618 566 HH22 ARG 71 2HH2 ARG 71 -0.897 -13.994 0.536 567 H ALA 72 H ALA 72 -5.053 -8.694 -1.135 568 HA ALA 72 HA ALA 72 -6.207 -9.424 -3.639 569 HB1 ALA 72 1HB ALA 72 -8.313 -9.340 -2.383 570 HB2 ALA 72 2HB ALA 72 -7.034 -10.125 -1.421 571 HB3 ALA 72 3HB ALA 72 -7.522 -8.445 -1.064 572 H TYR 73 H TYR 73 -5.608 -6.214 -2.299 573 HA TYR 73 HA TYR 73 -7.546 -4.790 -3.914 574 HB2 TYR 73 2HB TYR 73 -6.451 -3.839 -1.920 575 HB3 TYR 73 3HB TYR 73 -4.996 -3.602 -2.902 576 HD1 TYR 73 1HD TYR 73 -8.251 -2.217 -2.013 577 HD2 TYR 73 2HD TYR 73 -5.390 -2.379 -5.241 578 HE1 TYR 73 1HE TYR 73 -9.397 -0.325 -3.142 579 HE2 TYR 73 2HE TYR 73 -6.746 -0.756 -6.496 580 HH TYR 73 HH TYR 73 -8.712 0.256 -6.631 581 H LEU 74 H LEU 74 -4.053 -5.463 -4.253 582 HA LEU 74 HA LEU 74 -3.737 -4.109 -6.614 583 HB2 LEU 74 2HB LEU 74 -2.283 -6.094 -4.932 584 HB3 LEU 74 3HB LEU 74 -1.907 -6.300 -6.569 585 HG LEU 74 HG LEU 74 -1.063 -4.056 -6.852 586 HD11 LEU 74 1HD1 LEU 74 -2.077 -3.506 -4.035 587 HD12 LEU 74 2HD1 LEU 74 -2.757 -2.767 -5.481 588 HD13 LEU 74 3HD1 LEU 74 -1.104 -2.389 -5.059 589 HD21 LEU 74 1HD2 LEU 74 -0.240 -5.000 -4.090 590 HD22 LEU 74 2HD2 LEU 74 0.662 -3.909 -5.142 591 HD23 LEU 74 3HD2 LEU 74 0.451 -5.613 -5.623 592 H GLU 75 H GLU 75 -4.967 -7.315 -6.293 593 HA GLU 75 HA GLU 75 -4.689 -7.812 -9.174 594 HB2 GLU 75 2HB GLU 75 -5.534 -10.163 -8.469 595 HB3 GLU 75 3HB GLU 75 -3.942 -9.603 -8.253 596 HG2 GLU 75 2HG GLU 75 -4.588 -9.045 -5.827 597 HG3 GLU 75 3HG GLU 75 -5.968 -9.987 -6.105 598 H THR 76 H THR 76 -6.697 -5.948 -7.706 599 HA THR 76 HA THR 76 -8.926 -6.429 -9.562 600 HB THR 76 HB THR 76 -9.130 -6.787 -6.567 601 HG1 THR 76 1HG THR 76 -8.818 -8.385 -8.322 602 HG21 THR 76 1HG2 THR 76 -11.407 -6.088 -8.484 603 HG22 THR 76 2HG2 THR 76 -10.961 -5.281 -6.937 604 HG23 THR 76 3HG2 THR 76 -11.627 -6.930 -6.910 605 H LYS 77 H LYS 77 -8.573 -4.620 -10.509 606 HA LYS 77 HA LYS 77 -9.042 -2.573 -11.165 607 HB2 LYS 77 2HB LYS 77 -10.887 -2.980 -8.938 608 HB3 LYS 77 3HB LYS 77 -10.612 -1.278 -9.315 609 HG2 LYS 77 2HG LYS 77 -12.478 -1.953 -10.617 610 HG3 LYS 77 3HG LYS 77 -11.147 -1.747 -11.699 611 HD2 LYS 77 2HD LYS 77 -10.820 -4.345 -11.389 612 HD3 LYS 77 3HD LYS 77 -12.467 -4.325 -10.770 613 HE2 LYS 77 2HE LYS 77 -11.436 -3.372 -13.483 614 HE3 LYS 77 3HE LYS 77 -12.353 -4.861 -13.194 615 HZ1 LYS 77 1HZ LYS 77 -13.506 -2.116 -12.795 616 HZ2 LYS 77 2HZ LYS 77 -14.278 -3.559 -12.570 617 HZ3 LYS 77 3HZ LYS 77 -13.816 -3.115 -14.056 Start of MODEL 15 1 H2 SER 1 2H SER 1 3.436 -7.875 16.550 2 H3 SER 1 3H SER 1 2.228 -8.898 16.200 3 HA SER 1 HA SER 1 4.411 -8.891 14.830 4 HB2 SER 1 2HB SER 1 1.736 -9.132 13.427 5 HB3 SER 1 3HB SER 1 3.230 -9.987 13.063 6 HG SER 1 HG SER 1 1.916 -11.326 14.319 7 H HIS 2 H HIS 2 5.460 -7.678 12.944 8 HA HIS 2 HA HIS 2 3.948 -5.239 12.114 9 HB2 HIS 2 2HB HIS 2 6.541 -5.167 13.731 10 HB3 HIS 2 3HB HIS 2 5.868 -3.799 12.832 11 HD1 HIS 2 1HD HIS 2 3.382 -2.992 13.643 12 HD2 HIS 2 2HD HIS 2 5.624 -5.413 16.231 13 HE1 HIS 2 1HE HIS 2 2.322 -2.734 15.969 14 H MET 3 H MET 3 7.409 -5.375 11.890 15 HA MET 3 HA MET 3 7.576 -5.466 9.008 16 HB2 MET 3 2HB MET 3 10.009 -5.645 9.520 17 HB3 MET 3 3HB MET 3 9.204 -4.311 10.292 18 HG2 MET 3 2HG MET 3 10.862 -5.368 11.734 19 HG3 MET 3 3HG MET 3 9.276 -5.376 12.461 20 HE1 MET 3 1HE MET 3 12.012 -8.637 12.880 21 HE2 MET 3 2HE MET 3 12.427 -7.260 11.834 22 HE3 MET 3 3HE MET 3 11.819 -6.979 13.485 23 H THR 4 H THR 4 6.135 -7.817 10.190 24 HA THR 4 HA THR 4 7.709 -9.785 8.669 25 HB THR 4 HB THR 4 7.292 -10.316 11.012 26 HG1 THR 4 1HG THR 4 7.733 -12.236 10.288 27 HG21 THR 4 1HG2 THR 4 4.861 -9.928 11.252 28 HG22 THR 4 2HG2 THR 4 5.374 -11.543 11.736 29 HG23 THR 4 3HG2 THR 4 4.557 -11.335 10.192 30 H ALA 5 H ALA 5 4.298 -9.343 9.424 31 HA ALA 5 HA ALA 5 3.510 -10.428 6.937 32 HB1 ALA 5 1HB ALA 5 1.282 -9.836 7.743 33 HB2 ALA 5 2HB ALA 5 2.272 -10.399 9.117 34 HB3 ALA 5 3HB ALA 5 1.962 -8.651 8.897 35 H VAL 6 H VAL 6 3.599 -7.041 8.070 36 HA VAL 6 HA VAL 6 2.871 -5.843 5.621 37 HB VAL 6 HB VAL 6 3.146 -4.900 8.054 38 HG11 VAL 6 1HG1 VAL 6 5.657 -4.960 8.050 39 HG12 VAL 6 2HG1 VAL 6 5.639 -3.695 6.819 40 HG13 VAL 6 3HG1 VAL 6 4.951 -3.377 8.420 41 HG21 VAL 6 1HG2 VAL 6 2.816 -2.664 7.105 42 HG22 VAL 6 2HG2 VAL 6 3.490 -3.195 5.549 43 HG23 VAL 6 3HG2 VAL 6 1.951 -3.861 6.158 44 H GLN 7 H GLN 7 5.992 -7.150 6.800 45 HA GLN 7 HA GLN 7 7.320 -5.627 4.761 46 HB2 GLN 7 2HB GLN 7 8.454 -6.264 6.893 47 HB3 GLN 7 3HB GLN 7 8.388 -7.977 6.422 48 HG2 GLN 7 2HG GLN 7 10.613 -7.097 6.032 49 HG3 GLN 7 3HG GLN 7 9.859 -7.477 4.469 50 HE21 GLN 7 1HE2 GLN 7 8.597 -5.483 3.512 51 HE22 GLN 7 2HE2 GLN 7 9.036 -3.920 4.074 52 H ASP 8 H ASP 8 6.712 -8.979 5.212 53 HA ASP 8 HA ASP 8 7.435 -10.293 2.833 54 HB2 ASP 8 2HB ASP 8 6.630 -11.436 4.840 55 HB3 ASP 8 3HB ASP 8 5.050 -10.757 4.635 56 H PHE 9 H PHE 9 4.208 -8.840 3.535 57 HA PHE 9 HA PHE 9 3.132 -8.997 0.947 58 HB2 PHE 9 2HB PHE 9 1.782 -8.219 2.966 59 HB3 PHE 9 3HB PHE 9 2.857 -6.826 3.078 60 HD1 PHE 9 1HD PHE 9 2.554 -4.853 1.847 61 HD2 PHE 9 2HD PHE 9 0.596 -8.458 0.557 62 HE1 PHE 9 1HE PHE 9 1.432 -3.592 0.032 63 HE2 PHE 9 2HE PHE 9 -0.418 -7.187 -1.336 64 HZ PHE 9 HZ PHE 9 -0.067 -4.758 -1.557 65 H VAL 10 H VAL 10 4.854 -6.226 2.409 66 HA VAL 10 HA VAL 10 5.028 -4.612 0.099 67 HB VAL 10 HB VAL 10 6.913 -4.848 2.437 68 HG11 VAL 10 1HG1 VAL 10 7.219 -2.848 0.174 69 HG12 VAL 10 2HG1 VAL 10 7.984 -2.704 1.761 70 HG13 VAL 10 3HG1 VAL 10 8.415 -4.042 0.709 71 HG21 VAL 10 1HG2 VAL 10 5.307 -2.415 1.661 72 HG22 VAL 10 2HG2 VAL 10 4.509 -3.759 2.481 73 HG23 VAL 10 3HG2 VAL 10 5.877 -2.913 3.254 74 H VAL 11 H VAL 11 7.363 -7.179 1.042 75 HA VAL 11 HA VAL 11 9.271 -6.629 -0.997 76 HB VAL 11 HB VAL 11 8.740 -8.988 0.823 77 HG11 VAL 11 1HG1 VAL 11 11.029 -8.804 -1.179 78 HG12 VAL 11 2HG1 VAL 11 10.959 -9.930 0.191 79 HG13 VAL 11 3HG1 VAL 11 9.782 -10.069 -1.115 80 HG21 VAL 11 1HG2 VAL 11 11.054 -7.006 0.591 81 HG22 VAL 11 2HG2 VAL 11 9.692 -6.807 1.693 82 HG23 VAL 11 3HG2 VAL 11 10.790 -8.190 1.903 83 H ASP 12 H ASP 12 6.306 -8.454 -1.162 84 HA ASP 12 HA ASP 12 6.733 -9.743 -3.736 85 HB2 ASP 12 2HB ASP 12 4.364 -8.998 -2.079 86 HB3 ASP 12 3HB ASP 12 4.105 -9.127 -3.798 87 H ILE 13 H ILE 13 5.129 -6.611 -3.094 88 HA ILE 13 HA ILE 13 5.055 -5.474 -5.838 89 HB ILE 13 HB ILE 13 5.015 -4.172 -3.151 90 HG12 ILE 13 2HG1 ILE 13 2.611 -3.784 -3.765 91 HG13 ILE 13 3HG1 ILE 13 2.788 -4.916 -5.097 92 HG21 ILE 13 1HG2 ILE 13 4.587 -3.232 -6.043 93 HG22 ILE 13 2HG2 ILE 13 4.121 -2.275 -4.593 94 HG23 ILE 13 3HG2 ILE 13 5.809 -2.636 -4.922 95 HD11 ILE 13 1HD1 ILE 13 1.679 -5.850 -3.086 96 HD12 ILE 13 2HD1 ILE 13 3.105 -6.754 -3.527 97 HD13 ILE 13 3HD1 ILE 13 3.171 -5.606 -2.167 98 H LEU 14 H LEU 14 7.547 -5.514 -3.243 99 HA LEU 14 HA LEU 14 8.851 -3.335 -4.506 100 HB2 LEU 14 2HB LEU 14 8.691 -4.031 -2.017 101 HB3 LEU 14 3HB LEU 14 10.055 -5.017 -2.264 102 HG LEU 14 HG LEU 14 10.281 -2.630 -1.246 103 HD11 LEU 14 1HD1 LEU 14 12.568 -2.354 -2.095 104 HD12 LEU 14 2HD1 LEU 14 12.254 -3.556 -3.357 105 HD13 LEU 14 3HD1 LEU 14 12.234 -4.025 -1.629 106 HD21 LEU 14 1HD2 LEU 14 10.751 -0.889 -2.838 107 HD22 LEU 14 2HD2 LEU 14 9.124 -1.569 -3.146 108 HD23 LEU 14 3HD2 LEU 14 10.495 -2.010 -4.202 109 H LEU 15 H LEU 15 10.062 -6.560 -3.685 110 HA LEU 15 HA LEU 15 12.347 -6.359 -5.517 111 HB2 LEU 15 2HB LEU 15 11.400 -8.478 -3.537 112 HB3 LEU 15 3HB LEU 15 12.461 -8.948 -4.843 113 HG LEU 15 HG LEU 15 14.191 -7.365 -4.140 114 HD11 LEU 15 1HD1 LEU 15 14.064 -6.354 -1.862 115 HD12 LEU 15 2HD1 LEU 15 12.350 -6.820 -1.773 116 HD13 LEU 15 3HD1 LEU 15 12.914 -5.677 -3.016 117 HD21 LEU 15 1HD2 LEU 15 13.288 -9.277 -1.943 118 HD22 LEU 15 2HD2 LEU 15 14.927 -8.641 -2.175 119 HD23 LEU 15 3HD2 LEU 15 14.223 -9.716 -3.386 120 H ASN 16 H ASN 16 9.391 -8.390 -5.196 121 HA ASN 16 HA ASN 16 10.169 -9.736 -7.700 122 HB2 ASN 16 2HB ASN 16 7.740 -10.168 -5.921 123 HB3 ASN 16 3HB ASN 16 8.206 -11.169 -7.296 124 HD21 ASN 16 1HD2 ASN 16 8.479 -10.903 -3.952 125 HD22 ASN 16 2HD2 ASN 16 9.896 -11.918 -3.738 126 H GLY 17 H GLY 17 8.144 -7.069 -6.839 127 HA2 GLY 17 2HA GLY 17 7.087 -5.544 -8.224 128 HA3 GLY 17 3HA GLY 17 7.076 -6.645 -9.576 129 H ALA 18 H ALA 18 4.986 -5.157 -8.758 130 HA ALA 18 HA ALA 18 3.053 -6.706 -7.236 131 HB1 ALA 18 1HB ALA 18 3.111 -4.204 -7.283 132 HB2 ALA 18 2HB ALA 18 2.772 -4.231 -9.015 133 HB3 ALA 18 3HB ALA 18 1.556 -4.799 -7.850 134 H ARG 19 H ARG 19 0.876 -6.862 -8.220 135 HA ARG 19 HA ARG 19 0.255 -7.800 -10.913 136 HB2 ARG 19 2HB ARG 19 -1.046 -7.009 -8.413 137 HB3 ARG 19 3HB ARG 19 -1.669 -5.982 -9.682 138 HG2 ARG 19 2HG ARG 19 -2.997 -7.790 -9.830 139 HG3 ARG 19 3HG ARG 19 -1.855 -8.219 -11.085 140 HD2 ARG 19 2HD ARG 19 -0.570 -9.640 -9.531 141 HD3 ARG 19 3HD ARG 19 -1.661 -9.221 -8.221 142 HE ARG 19 HE ARG 19 -3.169 -10.747 -8.930 143 HH11 ARG 19 1HH1 ARG 19 -1.588 -11.804 -12.432 144 HH12 ARG 19 2HH1 ARG 19 -0.917 -10.406 -11.631 145 HH21 ARG 19 1HH2 ARG 19 -3.354 -12.891 -11.510 146 HH22 ARG 19 2HH2 ARG 19 -3.983 -12.374 -9.967 147 H ASP 20 H ASP 20 -1.411 -6.018 -11.641 148 HA ASP 20 HA ASP 20 -0.284 -4.701 -13.726 149 HB2 ASP 20 2HB ASP 20 -2.807 -3.933 -12.184 150 HB3 ASP 20 3HB ASP 20 -2.433 -3.788 -13.889 151 H TRP 21 H TRP 21 0.529 -3.647 -10.748 152 HA TRP 21 HA TRP 21 0.345 -0.771 -11.217 153 HB2 TRP 21 2HB TRP 21 1.314 -2.201 -8.668 154 HB3 TRP 21 3HB TRP 21 0.952 -0.549 -8.920 155 HD1 TRP 21 1HD TRP 21 -1.544 -3.415 -9.892 156 HE1 TRP 21 1HE TRP 21 -3.772 -2.876 -8.887 157 HE3 TRP 21 3HE TRP 21 -0.097 0.552 -7.130 158 HZ2 TRP 21 2HZ TRP 21 -4.896 -0.808 -7.140 159 HZ3 TRP 21 3HZ TRP 21 -1.850 1.922 -5.858 160 HH2 TRP 21 2HH TRP 21 -4.143 1.151 -5.748 161 H ASP 22 H ASP 22 2.152 0.501 -10.728 162 HA ASP 22 HA ASP 22 4.770 -0.629 -11.649 163 HB2 ASP 22 2HB ASP 22 3.561 2.123 -12.101 164 HB3 ASP 22 3HB ASP 22 5.297 1.802 -12.224 165 H VAL 23 H VAL 23 6.627 0.919 -10.417 166 HA VAL 23 HA VAL 23 5.933 0.145 -7.650 167 HB VAL 23 HB VAL 23 8.354 -0.828 -9.306 168 HG11 VAL 23 1HG1 VAL 23 9.134 -0.310 -7.059 169 HG12 VAL 23 2HG1 VAL 23 7.802 -1.257 -6.336 170 HG13 VAL 23 3HG1 VAL 23 9.085 -2.054 -7.266 171 HG21 VAL 23 1HG2 VAL 23 6.107 -2.415 -7.971 172 HG22 VAL 23 2HG2 VAL 23 6.360 -2.210 -9.714 173 HG23 VAL 23 3HG2 VAL 23 7.532 -3.120 -8.767 174 H LEU 24 H LEU 24 5.858 1.773 -6.802 175 HA LEU 24 HA LEU 24 7.748 4.016 -7.471 176 HB2 LEU 24 2HB LEU 24 4.758 3.965 -7.138 177 HB3 LEU 24 3HB LEU 24 5.662 5.290 -6.945 178 HG LEU 24 HG LEU 24 4.584 5.465 -9.026 179 HD11 LEU 24 1HD1 LEU 24 6.495 6.367 -10.217 180 HD12 LEU 24 2HD1 LEU 24 7.604 5.380 -9.238 181 HD13 LEU 24 3HD1 LEU 24 6.641 6.663 -8.473 182 HD21 LEU 24 1HD2 LEU 24 4.651 3.149 -9.817 183 HD22 LEU 24 2HD2 LEU 24 6.416 3.267 -10.053 184 HD23 LEU 24 3HD2 LEU 24 5.313 4.269 -11.008 185 H GLN 25 H GLN 25 8.912 4.148 -5.860 186 HA GLN 25 HA GLN 25 7.758 4.118 -3.103 187 HB2 GLN 25 2HB GLN 25 10.633 3.817 -4.019 188 HB3 GLN 25 3HB GLN 25 10.162 4.203 -2.346 189 HG2 GLN 25 2HG GLN 25 9.997 1.992 -2.100 190 HG3 GLN 25 3HG GLN 25 8.426 2.175 -2.725 191 HE21 GLN 25 1HE2 GLN 25 7.846 0.711 -4.405 192 HE22 GLN 25 2HE2 GLN 25 9.131 -0.270 -5.079 193 H THR 26 H THR 26 6.683 5.774 -3.110 194 HA THR 26 HA THR 26 8.089 8.298 -2.566 195 HB THR 26 HB THR 26 7.212 8.656 -4.737 196 HG1 THR 26 1HG THR 26 7.087 10.335 -3.368 197 HG21 THR 26 1HG2 THR 26 5.355 7.064 -4.982 198 HG22 THR 26 2HG2 THR 26 4.844 8.729 -5.302 199 HG23 THR 26 3HG2 THR 26 4.421 7.986 -3.754 200 H THR 27 H THR 27 5.935 9.686 -1.456 201 HA THR 27 HA THR 27 4.847 7.938 0.618 202 HB THR 27 HB THR 27 5.488 9.359 2.492 203 HG1 THR 27 1HG THR 27 6.076 11.014 0.700 204 HG21 THR 27 1HG2 THR 27 6.956 7.378 2.114 205 HG22 THR 27 2HG2 THR 27 7.864 8.744 2.777 206 HG23 THR 27 3HG2 THR 27 7.993 8.343 1.051 207 H CYS 28 H CYS 28 2.879 8.807 1.339 208 HA CYS 28 HA CYS 28 2.092 11.359 0.028 209 HB2 CYS 28 2HB CYS 28 1.641 9.410 -1.209 210 HB3 CYS 28 3HB CYS 28 0.588 8.788 0.086 211 HG CYS 28 HG CYS 28 -0.953 9.696 -1.937 212 H THR 29 H THR 29 0.523 12.574 0.949 213 HA THR 29 HA THR 29 0.590 11.935 3.735 214 HB THR 29 HB THR 29 0.652 14.749 2.511 215 HG1 THR 29 1HG THR 29 2.886 14.588 3.028 216 HG21 THR 29 1HG2 THR 29 1.486 15.428 4.763 217 HG22 THR 29 2HG2 THR 29 1.260 13.755 5.371 218 HG23 THR 29 3HG2 THR 29 -0.113 14.762 4.875 219 H VAL 30 H VAL 30 -1.141 11.630 4.686 220 HA VAL 30 HA VAL 30 -3.730 12.921 4.174 221 HB VAL 30 HB VAL 30 -3.566 9.971 3.438 222 HG11 VAL 30 1HG1 VAL 30 -5.757 10.398 2.385 223 HG12 VAL 30 2HG1 VAL 30 -5.810 10.704 4.062 224 HG13 VAL 30 3HG1 VAL 30 -5.728 12.132 2.985 225 HG21 VAL 30 1HG2 VAL 30 -2.339 11.076 1.632 226 HG22 VAL 30 2HG2 VAL 30 -3.966 10.682 1.055 227 HG23 VAL 30 3HG2 VAL 30 -3.615 12.343 1.489 228 H ASP 31 H ASP 31 -5.453 12.161 5.723 229 HA ASP 31 HA ASP 31 -6.207 11.745 7.894 230 HB2 ASP 31 2HB ASP 31 -4.889 9.474 7.362 231 HB3 ASP 31 3HB ASP 31 -3.730 10.034 8.487 232 H ARG 32 H ARG 32 -3.803 13.466 7.116 233 HA ARG 32 HA ARG 32 -2.432 15.208 7.979 234 HB2 ARG 32 2HB ARG 32 -3.178 14.430 10.898 235 HB3 ARG 32 3HB ARG 32 -2.491 15.827 10.289 236 HG2 ARG 32 2HG ARG 32 -4.557 16.533 9.187 237 HG3 ARG 32 3HG ARG 32 -5.306 14.992 9.617 238 HD2 ARG 32 2HD ARG 32 -6.167 16.229 11.274 239 HD3 ARG 32 3HD ARG 32 -4.748 15.610 12.071 240 HE ARG 32 HE ARG 32 -3.650 17.734 11.827 241 HH11 ARG 32 1HH1 ARG 32 -7.089 19.579 10.897 242 HH12 ARG 32 2HH1 ARG 32 -6.995 17.867 10.778 243 HH21 ARG 32 1HH2 ARG 32 -5.247 20.775 11.375 244 HH22 ARG 32 2HH2 ARG 32 -3.852 19.983 12.008 245 H LYS 33 H LYS 33 -1.899 12.248 7.574 246 HA LYS 33 HA LYS 33 0.571 11.770 9.209 247 HB2 LYS 33 2HB LYS 33 -1.300 10.371 9.953 248 HB3 LYS 33 3HB LYS 33 -1.450 9.740 8.288 249 HG2 LYS 33 2HG LYS 33 0.512 8.597 8.285 250 HG3 LYS 33 3HG LYS 33 1.248 9.589 9.550 251 HD2 LYS 33 2HD LYS 33 0.851 7.899 10.992 252 HD3 LYS 33 3HD LYS 33 -0.837 8.393 10.943 253 HE2 LYS 33 2HE LYS 33 -0.920 7.024 8.704 254 HE3 LYS 33 3HE LYS 33 0.598 6.296 9.298 255 HZ1 LYS 33 1HZ LYS 33 -2.066 6.199 10.608 256 HZ2 LYS 33 2HZ LYS 33 -0.664 5.595 11.249 257 HZ3 LYS 33 3HZ LYS 33 -1.186 4.967 9.871 258 H VAL 34 H VAL 34 2.229 10.531 7.913 259 HA VAL 34 HA VAL 34 1.884 10.870 4.941 260 HB VAL 34 HB VAL 34 4.177 10.867 6.751 261 HG11 VAL 34 1HG1 VAL 34 4.261 11.013 3.707 262 HG12 VAL 34 2HG1 VAL 34 5.683 11.231 4.730 263 HG13 VAL 34 3HG1 VAL 34 4.893 9.671 4.712 264 HG21 VAL 34 1HG2 VAL 34 4.837 13.084 6.115 265 HG22 VAL 34 2HG2 VAL 34 3.518 13.174 4.970 266 HG23 VAL 34 3HG2 VAL 34 3.176 13.092 6.713 267 H TYR 35 H TYR 35 1.740 8.946 3.946 268 HA TYR 35 HA TYR 35 2.631 6.398 5.394 269 HB2 TYR 35 2HB TYR 35 0.943 6.775 2.860 270 HB3 TYR 35 3HB TYR 35 1.261 5.329 3.655 271 HD1 TYR 35 1HD TYR 35 0.328 4.861 5.886 272 HD2 TYR 35 2HD TYR 35 -0.592 8.418 3.666 273 HE1 TYR 35 1HE TYR 35 -1.560 5.273 7.503 274 HE2 TYR 35 2HE TYR 35 -2.476 8.933 5.312 275 HH TYR 35 HH TYR 35 -3.430 8.312 7.304 276 H LYS 36 H LYS 36 3.927 4.868 4.024 277 HA LYS 36 HA LYS 36 5.303 6.194 1.774 278 HB2 LYS 36 2HB LYS 36 6.235 3.553 2.517 279 HB3 LYS 36 3HB LYS 36 7.073 5.032 2.221 280 HG2 LYS 36 2HG LYS 36 6.779 5.799 4.462 281 HG3 LYS 36 3HG LYS 36 5.800 4.349 4.886 282 HD2 LYS 36 2HD LYS 36 7.835 3.676 5.695 283 HD3 LYS 36 3HD LYS 36 7.839 2.953 4.127 284 HE2 LYS 36 2HE LYS 36 10.018 3.844 4.491 285 HE3 LYS 36 3HE LYS 36 9.257 4.886 3.284 286 HZ1 LYS 36 1HZ LYS 36 10.431 6.042 5.222 287 HZ2 LYS 36 2HZ LYS 36 9.231 5.472 6.190 288 HZ3 LYS 36 3HZ LYS 36 8.870 6.518 4.992 289 H THR 37 H THR 37 5.079 5.591 -0.188 290 HA THR 37 HA THR 37 2.891 3.741 -0.871 291 HB THR 37 HB THR 37 2.578 4.693 -2.911 292 HG1 THR 37 1HG THR 37 4.776 4.628 -3.629 293 HG21 THR 37 1HG2 THR 37 2.379 7.061 -2.663 294 HG22 THR 37 2HG2 THR 37 3.723 7.169 -1.524 295 HG23 THR 37 3HG2 THR 37 2.201 6.445 -1.024 296 H ILE 38 H ILE 38 3.240 1.965 -2.026 297 HA ILE 38 HA ILE 38 6.093 1.076 -2.414 298 HB ILE 38 HB ILE 38 3.716 -0.732 -3.034 299 HG12 ILE 38 2HG1 ILE 38 4.651 0.054 -0.171 300 HG13 ILE 38 3HG1 ILE 38 3.023 0.144 -0.812 301 HG21 ILE 38 1HG2 ILE 38 5.517 -2.360 -2.240 302 HG22 ILE 38 2HG2 ILE 38 6.283 -1.192 -3.322 303 HG23 ILE 38 3HG2 ILE 38 6.466 -1.028 -1.582 304 HD11 ILE 38 1HD1 ILE 38 2.921 -2.307 -1.167 305 HD12 ILE 38 2HD1 ILE 38 4.480 -2.474 -0.399 306 HD13 ILE 38 3HD1 ILE 38 3.106 -1.846 0.545 307 H CYS 39 H CYS 39 2.968 1.284 -3.978 308 HA CYS 39 HA CYS 39 4.146 1.207 -6.672 309 HB2 CYS 39 2HB CYS 39 2.462 -0.687 -7.153 310 HB3 CYS 39 3HB CYS 39 3.658 -1.018 -6.482 311 HG CYS 39 HG CYS 39 1.310 -2.214 -5.632 312 H LYS 40 H LYS 40 2.791 1.889 -8.266 313 HA LYS 40 HA LYS 40 0.374 3.150 -7.387 314 HB2 LYS 40 2HB LYS 40 2.388 4.677 -7.757 315 HB3 LYS 40 3HB LYS 40 2.513 4.027 -9.382 316 HG2 LYS 40 2HG LYS 40 0.049 5.032 -9.615 317 HG3 LYS 40 3HG LYS 40 0.594 5.912 -8.216 318 HD2 LYS 40 2HD LYS 40 2.461 6.890 -9.434 319 HD3 LYS 40 3HD LYS 40 2.222 5.756 -10.799 320 HE2 LYS 40 2HE LYS 40 0.086 6.727 -11.363 321 HE3 LYS 40 3HE LYS 40 0.130 7.738 -9.923 322 HZ1 LYS 40 1HZ LYS 40 2.009 8.932 -10.884 323 HZ2 LYS 40 2HZ LYS 40 0.789 8.973 -11.920 324 HZ3 LYS 40 3HZ LYS 40 2.042 7.945 -12.218 325 H ARG 41 H ARG 41 -1.443 3.162 -8.796 326 HA ARG 41 HA ARG 41 -0.904 2.429 -11.552 327 HB2 ARG 41 2HB ARG 41 -1.629 0.297 -10.335 328 HB3 ARG 41 3HB ARG 41 -3.240 1.052 -10.189 329 HG2 ARG 41 2HG ARG 41 -2.929 1.534 -12.772 330 HG3 ARG 41 3HG ARG 41 -1.593 0.437 -12.687 331 HD2 ARG 41 2HD ARG 41 -3.321 -1.115 -11.420 332 HD3 ARG 41 3HD ARG 41 -4.527 -0.051 -12.116 333 HE ARG 41 HE ARG 41 -2.766 -2.015 -13.470 334 HH11 ARG 41 1HH1 ARG 41 -4.813 0.351 -15.914 335 HH12 ARG 41 2HH1 ARG 41 -4.722 0.798 -14.244 336 HH21 ARG 41 1HH2 ARG 41 -3.949 -1.458 -16.648 337 HH22 ARG 41 2HH2 ARG 41 -3.067 -2.557 -15.646 338 H GLY 42 H GLY 42 -1.555 4.033 -12.544 339 HA2 GLY 42 2HA GLY 42 -2.804 5.840 -13.276 340 HA3 GLY 42 3HA GLY 42 -4.252 5.068 -12.595 341 H ASN 43 H ASN 43 -5.196 6.371 -11.185 342 HA ASN 43 HA ASN 43 -3.649 8.431 -9.766 343 HB2 ASN 43 2HB ASN 43 -5.594 9.583 -9.412 344 HB3 ASN 43 3HB ASN 43 -5.694 8.945 -11.034 345 HD21 ASN 43 1HD2 ASN 43 -6.604 6.224 -9.274 346 HD22 ASN 43 2HD2 ASN 43 -8.287 6.702 -9.051 347 H THR 44 H THR 44 -3.722 5.440 -9.137 348 HA THR 44 HA THR 44 -4.066 5.860 -6.160 349 HB THR 44 HB THR 44 -5.924 4.617 -7.013 350 HG1 THR 44 1HG THR 44 -5.909 4.068 -5.072 351 HG21 THR 44 1HG2 THR 44 -3.926 2.605 -7.965 352 HG22 THR 44 2HG2 THR 44 -5.449 3.195 -8.683 353 HG23 THR 44 3HG2 THR 44 -5.536 2.103 -7.353 354 H TYR 45 H TYR 45 -2.943 4.378 -4.715 355 HA TYR 45 HA TYR 45 -0.168 4.001 -5.299 356 HB2 TYR 45 2HB TYR 45 -1.059 6.342 -3.731 357 HB3 TYR 45 3HB TYR 45 0.526 5.630 -3.560 358 HD1 TYR 45 1HD TYR 45 2.303 6.365 -4.947 359 HD2 TYR 45 2HD TYR 45 -1.836 7.156 -6.081 360 HE1 TYR 45 1HE TYR 45 3.092 7.885 -6.721 361 HE2 TYR 45 2HE TYR 45 -1.007 8.732 -7.858 362 HH TYR 45 HH TYR 45 2.409 9.660 -8.177 363 H LEU 46 H LEU 46 0.135 2.322 -3.970 364 HA LEU 46 HA LEU 46 -1.777 1.846 -1.706 365 HB2 LEU 46 2HB LEU 46 -0.643 0.263 -3.845 366 HB3 LEU 46 3HB LEU 46 0.128 -0.093 -2.519 367 HG LEU 46 HG LEU 46 -1.583 -1.681 -2.853 368 HD11 LEU 46 1HD1 LEU 46 -2.608 -0.215 -0.440 369 HD12 LEU 46 2HD1 LEU 46 -1.422 -1.541 -0.463 370 HD13 LEU 46 3HD1 LEU 46 -3.114 -1.824 -1.016 371 HD21 LEU 46 1HD2 LEU 46 -3.977 -1.026 -2.814 372 HD22 LEU 46 2HD2 LEU 46 -3.090 -0.185 -4.080 373 HD23 LEU 46 3HD2 LEU 46 -3.513 0.646 -2.530 374 H CYS 47 H CYS 47 -0.948 1.968 0.352 375 HA CYS 47 HA CYS 47 1.949 2.386 0.647 376 HB2 CYS 47 2HB CYS 47 -0.115 4.100 2.068 377 HB3 CYS 47 3HB CYS 47 1.598 4.480 1.741 378 HG CYS 47 HG CYS 47 -0.256 6.038 0.458 379 H PHE 48 H PHE 48 2.594 2.565 3.049 380 HA PHE 48 HA PHE 48 0.946 0.752 4.719 381 HB2 PHE 48 2HB PHE 48 2.694 -0.744 5.087 382 HB3 PHE 48 3HB PHE 48 2.592 -0.521 3.336 383 HD1 PHE 48 1HD PHE 48 4.646 -0.668 6.153 384 HD2 PHE 48 2HD PHE 48 4.306 0.915 2.188 385 HE1 PHE 48 1HE PHE 48 7.084 -0.759 5.950 386 HE2 PHE 48 2HE PHE 48 6.778 0.885 1.941 387 HZ PHE 48 HZ PHE 48 8.201 0.017 3.820 388 H ASP 49 H ASP 49 1.486 0.427 6.847 389 HA ASP 49 HA ASP 49 3.481 2.350 8.007 390 HB2 ASP 49 2HB ASP 49 0.928 1.657 9.378 391 HB3 ASP 49 3HB ASP 49 2.199 2.675 10.063 392 H ASP 50 H ASP 50 2.907 1.371 10.666 393 HA ASP 50 HA ASP 50 4.605 -0.876 10.535 394 HB2 ASP 50 2HB ASP 50 3.370 0.681 12.726 395 HB3 ASP 50 3HB ASP 50 3.426 -0.951 13.173 396 H THR 51 H THR 51 1.300 -0.727 10.507 397 HA THR 51 HA THR 51 0.782 -3.152 12.027 398 HB THR 51 HB THR 51 -1.508 -2.086 12.227 399 HG1 THR 51 1HG THR 51 -1.822 -0.652 10.781 400 HG21 THR 51 1HG2 THR 51 0.726 -0.155 12.964 401 HG22 THR 51 2HG2 THR 51 0.185 -1.542 13.964 402 HG23 THR 51 3HG2 THR 51 -0.933 -0.196 13.591 403 H ASN 52 H ASN 52 0.478 -1.926 8.800 404 HA ASN 52 HA ASN 52 -1.115 -3.541 7.431 405 HB2 ASN 52 2HB ASN 52 -3.285 -2.517 7.508 406 HB3 ASN 52 3HB ASN 52 -3.023 -3.513 8.892 407 HD21 ASN 52 1HD2 ASN 52 -3.362 -0.190 7.674 408 HD22 ASN 52 2HD2 ASN 52 -3.621 0.544 9.251 409 H LEU 53 H LEU 53 -2.635 -2.052 6.074 410 HA LEU 53 HA LEU 53 -0.770 -0.321 4.534 411 HB2 LEU 53 2HB LEU 53 -2.642 -2.669 3.892 412 HB3 LEU 53 3HB LEU 53 -1.796 -1.755 2.669 413 HG LEU 53 HG LEU 53 -0.592 -3.473 4.918 414 HD11 LEU 53 1HD1 LEU 53 0.416 -4.618 3.063 415 HD12 LEU 53 2HD1 LEU 53 -0.483 -3.611 1.915 416 HD13 LEU 53 3HD1 LEU 53 -1.350 -4.703 3.056 417 HD21 LEU 53 1HD2 LEU 53 0.822 -1.705 2.890 418 HD22 LEU 53 2HD2 LEU 53 1.633 -2.979 3.838 419 HD23 LEU 53 3HD2 LEU 53 0.881 -1.642 4.680 420 H TYR 54 H TYR 54 -1.928 0.885 2.750 421 HA TYR 54 HA TYR 54 -4.717 1.464 3.299 422 HB2 TYR 54 2HB TYR 54 -2.906 3.886 3.391 423 HB3 TYR 54 3HB TYR 54 -4.575 3.729 3.703 424 HD1 TYR 54 1HD TYR 54 -5.234 4.105 5.807 425 HD2 TYR 54 2HD TYR 54 -1.380 2.179 5.304 426 HE1 TYR 54 1HE TYR 54 -4.932 3.979 8.240 427 HE2 TYR 54 2HE TYR 54 -1.291 1.760 7.682 428 HH TYR 54 HH TYR 54 -3.604 3.232 9.996 429 H ALA 55 H ALA 55 -5.695 2.064 1.271 430 HA ALA 55 HA ALA 55 -3.773 2.643 -0.979 431 HB1 ALA 55 1HB ALA 55 -5.600 0.982 -1.444 432 HB2 ALA 55 2HB ALA 55 -6.798 2.208 -1.007 433 HB3 ALA 55 3HB ALA 55 -5.763 2.460 -2.414 434 H ILE 56 H ILE 56 -3.359 4.717 -1.464 435 HA ILE 56 HA ILE 56 -5.354 6.753 -0.591 436 HB ILE 56 HB ILE 56 -2.391 7.014 -1.005 437 HG12 ILE 56 2HG1 ILE 56 -3.078 8.487 1.251 438 HG13 ILE 56 3HG1 ILE 56 -4.352 7.298 1.289 439 HG21 ILE 56 1HG2 ILE 56 -2.875 9.529 -0.729 440 HG22 ILE 56 2HG2 ILE 56 -3.462 8.924 -2.216 441 HG23 ILE 56 3HG2 ILE 56 -4.625 9.201 -0.875 442 HD11 ILE 56 1HD1 ILE 56 -2.600 6.566 2.678 443 HD12 ILE 56 2HD1 ILE 56 -2.511 5.510 1.215 444 HD13 ILE 56 3HD1 ILE 56 -1.378 6.895 1.429 445 H THR 57 H THR 57 -6.789 6.671 -2.089 446 HA THR 57 HA THR 57 -5.977 6.467 -4.954 447 HB THR 57 HB THR 57 -8.687 6.162 -3.623 448 HG1 THR 57 1HG THR 57 -8.140 4.095 -3.777 449 HG21 THR 57 1HG2 THR 57 -9.338 5.326 -5.911 450 HG22 THR 57 2HG2 THR 57 -7.770 5.916 -6.524 451 HG23 THR 57 3HG2 THR 57 -8.982 7.061 -5.899 452 H GLY 58 H GLY 58 -5.166 8.384 -5.409 453 HA2 GLY 58 2HA GLY 58 -5.016 10.629 -5.847 454 HA3 GLY 58 3HA GLY 58 -6.757 10.771 -5.574 455 H ASP 59 H ASP 59 -7.463 10.798 -3.433 456 HA ASP 59 HA ASP 59 -5.763 12.097 -1.307 457 HB2 ASP 59 2HB ASP 59 -7.866 13.141 -2.990 458 HB3 ASP 59 3HB ASP 59 -8.605 12.890 -1.433 459 H VAL 60 H VAL 60 -7.553 9.408 -1.985 460 HA VAL 60 HA VAL 60 -9.349 9.455 0.396 461 HB VAL 60 HB VAL 60 -9.378 7.708 -2.117 462 HG11 VAL 60 1HG1 VAL 60 -10.196 6.289 -0.303 463 HG12 VAL 60 2HG1 VAL 60 -11.232 7.613 0.285 464 HG13 VAL 60 3HG1 VAL 60 -11.566 6.844 -1.270 465 HG21 VAL 60 1HG2 VAL 60 -11.492 8.877 -2.601 466 HG22 VAL 60 2HG2 VAL 60 -11.287 9.864 -1.141 467 HG23 VAL 60 3HG2 VAL 60 -10.143 10.024 -2.494 468 H VAL 61 H VAL 61 -8.139 8.831 2.058 469 HA VAL 61 HA VAL 61 -6.367 6.520 1.940 470 HB VAL 61 HB VAL 61 -5.918 8.418 3.282 471 HG11 VAL 61 1HG1 VAL 61 -8.209 8.810 4.289 472 HG12 VAL 61 2HG1 VAL 61 -7.970 7.352 5.300 473 HG13 VAL 61 3HG1 VAL 61 -6.910 8.770 5.500 474 HG21 VAL 61 1HG2 VAL 61 -4.975 7.149 5.207 475 HG22 VAL 61 2HG2 VAL 61 -6.108 5.816 4.882 476 HG23 VAL 61 3HG2 VAL 61 -4.832 6.208 3.715 477 H LEU 62 H LEU 62 -6.959 4.626 1.799 478 HA LEU 62 HA LEU 62 -9.392 3.586 3.198 479 HB2 LEU 62 2HB LEU 62 -9.831 3.609 0.970 480 HB3 LEU 62 3HB LEU 62 -8.271 3.143 0.446 481 HG LEU 62 HG LEU 62 -8.656 0.829 0.815 482 HD11 LEU 62 1HD1 LEU 62 -10.675 -0.060 2.113 483 HD12 LEU 62 2HD1 LEU 62 -10.863 1.558 2.806 484 HD13 LEU 62 3HD1 LEU 62 -9.393 0.592 3.105 485 HD21 LEU 62 1HD2 LEU 62 -11.398 2.028 0.335 486 HD22 LEU 62 2HD2 LEU 62 -10.843 0.417 -0.198 487 HD23 LEU 62 3HD2 LEU 62 -10.120 1.885 -0.900 488 H LYS 63 H LYS 63 -8.248 3.342 4.923 489 HA LYS 63 HA LYS 63 -6.050 1.621 5.499 490 HB2 LYS 63 2HB LYS 63 -6.836 1.591 7.758 491 HB3 LYS 63 3HB LYS 63 -6.960 3.210 7.080 492 HG2 LYS 63 2HG LYS 63 -9.411 2.877 6.709 493 HG3 LYS 63 3HG LYS 63 -9.288 1.316 7.538 494 HD2 LYS 63 2HD LYS 63 -8.702 4.044 8.757 495 HD3 LYS 63 3HD LYS 63 -10.115 3.015 9.022 496 HE2 LYS 63 2HE LYS 63 -8.334 1.196 9.697 497 HE3 LYS 63 3HE LYS 63 -7.250 2.562 9.931 498 HZ1 LYS 63 1HZ LYS 63 -9.886 2.836 11.148 499 HZ2 LYS 63 2HZ LYS 63 -8.426 3.363 11.680 500 HZ3 LYS 63 3HZ LYS 63 -8.842 1.800 11.901 501 H PHE 64 H PHE 64 -5.699 -0.472 5.326 502 HA PHE 64 HA PHE 64 -7.897 -2.429 4.897 503 HB2 PHE 64 2HB PHE 64 -4.937 -2.691 4.756 504 HB3 PHE 64 3HB PHE 64 -5.994 -3.954 4.549 505 HD1 PHE 64 1HD PHE 64 -8.051 -3.461 2.776 506 HD2 PHE 64 2HD PHE 64 -4.266 -1.405 2.834 507 HE1 PHE 64 1HE PHE 64 -8.380 -2.753 0.433 508 HE2 PHE 64 2HE PHE 64 -4.599 -0.699 0.515 509 HZ PHE 64 HZ PHE 64 -6.593 -1.386 -0.720 510 H ALA 65 H ALA 65 -8.578 -3.751 6.581 511 HA ALA 65 HA ALA 65 -7.441 -3.749 9.216 512 HB1 ALA 65 1HB ALA 65 -8.986 -5.557 9.635 513 HB2 ALA 65 2HB ALA 65 -9.829 -4.380 8.593 514 HB3 ALA 65 3HB ALA 65 -9.145 -5.904 7.919 515 H THR 66 H THR 66 -5.761 -5.041 6.582 516 HA THR 66 HA THR 66 -4.258 -6.857 8.215 517 HB THR 66 HB THR 66 -4.953 -8.094 5.662 518 HG1 THR 66 1HG THR 66 -6.776 -8.123 7.895 519 HG21 THR 66 1HG2 THR 66 -4.919 -9.248 8.465 520 HG22 THR 66 2HG2 THR 66 -3.609 -9.333 7.263 521 HG23 THR 66 3HG2 THR 66 -5.140 -10.155 6.950 522 H VAL 67 H VAL 67 -2.618 -7.722 6.820 523 HA VAL 67 HA VAL 67 -1.759 -5.730 4.882 524 HB VAL 67 HB VAL 67 -0.544 -8.461 5.140 525 HG11 VAL 67 1HG1 VAL 67 1.447 -6.932 4.829 526 HG12 VAL 67 2HG1 VAL 67 0.094 -6.622 3.638 527 HG13 VAL 67 3HG1 VAL 67 0.328 -5.557 5.102 528 HG21 VAL 67 1HG2 VAL 67 1.045 -7.811 6.689 529 HG22 VAL 67 2HG2 VAL 67 0.156 -6.362 7.203 530 HG23 VAL 67 3HG2 VAL 67 -0.529 -8.009 7.512 531 H SER 68 H SER 68 -2.835 -9.202 4.818 532 HA SER 68 HA SER 68 -2.542 -9.758 2.152 533 HB2 SER 68 2HB SER 68 -4.948 -10.790 3.668 534 HB3 SER 68 3HB SER 68 -3.781 -11.666 2.653 535 HG SER 68 HG SER 68 -3.165 -12.198 4.669 536 H LYS 69 H LYS 69 -5.036 -7.779 3.603 537 HA LYS 69 HA LYS 69 -7.053 -7.900 1.573 538 HB2 LYS 69 2HB LYS 69 -6.260 -5.426 3.120 539 HB3 LYS 69 3HB LYS 69 -7.851 -5.889 2.519 540 HG2 LYS 69 2HG LYS 69 -6.987 -7.897 4.412 541 HG3 LYS 69 3HG LYS 69 -6.518 -6.311 5.039 542 HD2 LYS 69 2HD LYS 69 -8.635 -6.563 5.921 543 HD3 LYS 69 3HD LYS 69 -8.840 -5.547 4.466 544 HE2 LYS 69 2HE LYS 69 -9.051 -7.978 3.307 545 HE3 LYS 69 3HE LYS 69 -9.164 -8.624 4.911 546 HZ1 LYS 69 1HZ LYS 69 -11.370 -8.307 3.796 547 HZ2 LYS 69 2HZ LYS 69 -11.131 -6.714 3.788 548 HZ3 LYS 69 3HZ LYS 69 -11.263 -7.506 5.230 549 H ALA 70 H ALA 70 -4.344 -5.603 2.024 550 HA ALA 70 HA ALA 70 -4.666 -4.089 -0.342 551 HB1 ALA 70 1HB ALA 70 -2.267 -3.602 0.019 552 HB2 ALA 70 2HB ALA 70 -3.152 -3.614 1.567 553 HB3 ALA 70 3HB ALA 70 -2.141 -5.003 1.050 554 H ARG 71 H ARG 71 -3.493 -7.436 -0.104 555 HA ARG 71 HA ARG 71 -2.122 -7.305 -2.709 556 HB2 ARG 71 2HB ARG 71 -1.660 -8.951 -0.729 557 HB3 ARG 71 3HB ARG 71 -3.033 -9.833 -1.393 558 HG2 ARG 71 2HG ARG 71 -1.844 -10.439 -3.337 559 HG3 ARG 71 3HG ARG 71 -0.914 -8.955 -3.348 560 HD2 ARG 71 2HD ARG 71 0.626 -10.675 -2.904 561 HD3 ARG 71 3HD ARG 71 0.422 -9.747 -1.418 562 HE ARG 71 HE ARG 71 -1.421 -11.870 -1.295 563 HH11 ARG 71 1HH1 ARG 71 2.237 -13.396 -0.836 564 HH12 ARG 71 2HH1 ARG 71 2.166 -11.923 -1.720 565 HH21 ARG 71 1HH2 ARG 71 0.546 -14.404 -0.102 566 HH22 ARG 71 2HH2 ARG 71 -1.096 -13.897 -0.530 567 H ALA 72 H ALA 72 -5.281 -8.393 -1.486 568 HA ALA 72 HA ALA 72 -6.315 -9.149 -4.080 569 HB1 ALA 72 1HB ALA 72 -7.092 -10.057 -1.917 570 HB2 ALA 72 2HB ALA 72 -7.677 -8.429 -1.429 571 HB3 ALA 72 3HB ALA 72 -8.421 -9.272 -2.827 572 H TYR 73 H TYR 73 -5.750 -6.083 -2.457 573 HA TYR 73 HA TYR 73 -7.821 -4.478 -3.668 574 HB2 TYR 73 2HB TYR 73 -6.623 -3.757 -1.728 575 HB3 TYR 73 3HB TYR 73 -5.212 -3.440 -2.744 576 HD1 TYR 73 1HD TYR 73 -5.312 -1.725 -4.555 577 HD2 TYR 73 2HD TYR 73 -8.687 -2.420 -1.982 578 HE1 TYR 73 1HE TYR 73 -6.359 0.325 -5.411 579 HE2 TYR 73 2HE TYR 73 -9.724 -0.297 -2.751 580 HH TYR 73 HH TYR 73 -9.542 1.484 -4.188 581 H LEU 74 H LEU 74 -4.466 -4.963 -4.409 582 HA LEU 74 HA LEU 74 -4.149 -3.493 -6.628 583 HB2 LEU 74 2HB LEU 74 -2.847 -5.714 -5.152 584 HB3 LEU 74 3HB LEU 74 -2.488 -5.846 -6.827 585 HG LEU 74 HG LEU 74 -1.393 -3.707 -6.893 586 HD11 LEU 74 1HD1 LEU 74 -2.919 -2.403 -5.402 587 HD12 LEU 74 2HD1 LEU 74 -1.235 -2.248 -4.924 588 HD13 LEU 74 3HD1 LEU 74 -2.344 -3.343 -4.029 589 HD21 LEU 74 1HD2 LEU 74 -0.619 -5.099 -4.302 590 HD22 LEU 74 2HD2 LEU 74 0.391 -3.995 -5.258 591 HD23 LEU 74 3HD2 LEU 74 -0.073 -5.578 -5.937 592 H GLU 75 H GLU 75 -5.397 -6.745 -6.527 593 HA GLU 75 HA GLU 75 -5.447 -6.929 -9.487 594 HB2 GLU 75 2HB GLU 75 -5.523 -9.309 -9.183 595 HB3 GLU 75 3HB GLU 75 -4.149 -8.610 -8.317 596 HG2 GLU 75 2HG GLU 75 -5.073 -8.918 -6.217 597 HG3 GLU 75 3HG GLU 75 -6.678 -9.330 -6.788 598 H THR 76 H THR 76 -7.557 -5.827 -7.410 599 HA THR 76 HA THR 76 -9.686 -7.607 -7.247 600 HB THR 76 HB THR 76 -9.024 -5.544 -5.840 601 HG1 THR 76 1HG THR 76 -11.668 -5.747 -6.747 602 HG21 THR 76 1HG2 THR 76 -9.009 -4.066 -8.043 603 HG22 THR 76 2HG2 THR 76 -9.569 -3.371 -6.504 604 HG23 THR 76 3HG2 THR 76 -10.726 -3.874 -7.729 605 H LYS 77 H LYS 77 -9.386 -7.328 -10.065 606 HA LYS 77 HA LYS 77 -11.838 -6.027 -10.864 607 HB2 LYS 77 2HB LYS 77 -10.673 -4.909 -12.237 608 HB3 LYS 77 3HB LYS 77 -9.499 -5.064 -11.053 609 HG2 LYS 77 2HG LYS 77 -9.533 -6.700 -13.663 610 HG3 LYS 77 3HG LYS 77 -8.644 -5.193 -13.371 611 HD2 LYS 77 2HD LYS 77 -6.947 -6.499 -12.685 612 HD3 LYS 77 3HD LYS 77 -7.884 -6.563 -11.184 613 HE2 LYS 77 2HE LYS 77 -8.873 -8.679 -11.826 614 HE3 LYS 77 3HE LYS 77 -8.273 -8.563 -13.491 615 HZ1 LYS 77 1HZ LYS 77 -7.037 -10.097 -12.088 616 HZ2 LYS 77 2HZ LYS 77 -6.624 -8.921 -11.076 617 HZ3 LYS 77 3HZ LYS 77 -6.032 -8.886 -12.635 Start of MODEL 16 1 H2 SER 1 2H SER 1 3.703 -10.923 16.118 2 H3 SER 1 3H SER 1 3.569 -12.526 15.764 3 HA SER 1 HA SER 1 5.141 -11.468 14.292 4 HB2 SER 1 2HB SER 1 3.925 -12.114 12.114 5 HB3 SER 1 3HB SER 1 4.114 -13.372 13.336 6 HG SER 1 HG SER 1 1.910 -12.733 12.228 7 H HIS 2 H HIS 2 5.720 -9.551 13.054 8 HA HIS 2 HA HIS 2 3.566 -7.486 12.855 9 HB2 HIS 2 2HB HIS 2 6.085 -7.098 14.542 10 HB3 HIS 2 3HB HIS 2 4.732 -5.966 14.337 11 HD1 HIS 2 1HD HIS 2 2.460 -6.616 15.730 12 HD2 HIS 2 2HD HIS 2 5.762 -9.169 16.191 13 HE1 HIS 2 1HE HIS 2 1.796 -8.347 17.484 14 H MET 3 H MET 3 6.951 -6.590 12.920 15 HA MET 3 HA MET 3 7.307 -5.828 10.134 16 HB2 MET 3 2HB MET 3 9.471 -6.569 12.148 17 HB3 MET 3 3HB MET 3 9.555 -5.407 10.829 18 HG2 MET 3 2HG MET 3 7.963 -3.938 12.079 19 HG3 MET 3 3HG MET 3 8.036 -5.049 13.448 20 HE1 MET 3 1HE MET 3 10.142 -5.561 14.895 21 HE2 MET 3 2HE MET 3 11.209 -5.894 13.515 22 HE3 MET 3 3HE MET 3 11.696 -4.710 14.744 23 H THR 4 H THR 4 6.276 -8.430 10.293 24 HA THR 4 HA THR 4 8.246 -9.668 8.481 25 HB THR 4 HB THR 4 8.182 -11.291 10.022 26 HG1 THR 4 1HG THR 4 7.731 -12.048 7.952 27 HG21 THR 4 1HG2 THR 4 6.487 -10.739 11.593 28 HG22 THR 4 2HG2 THR 4 6.250 -12.397 11.036 29 HG23 THR 4 3HG2 THR 4 5.207 -11.119 10.404 30 H ALA 5 H ALA 5 4.808 -9.497 9.275 31 HA ALA 5 HA ALA 5 3.964 -10.682 6.856 32 HB1 ALA 5 1HB ALA 5 2.958 -10.596 9.143 33 HB2 ALA 5 2HB ALA 5 2.585 -8.866 8.901 34 HB3 ALA 5 3HB ALA 5 1.786 -10.079 7.867 35 H VAL 6 H VAL 6 3.836 -7.434 8.011 36 HA VAL 6 HA VAL 6 3.153 -5.851 5.761 37 HB VAL 6 HB VAL 6 4.886 -5.357 8.220 38 HG11 VAL 6 1HG1 VAL 6 3.673 -3.397 6.245 39 HG12 VAL 6 2HG1 VAL 6 4.417 -2.948 7.797 40 HG13 VAL 6 3HG1 VAL 6 5.415 -3.684 6.533 41 HG21 VAL 6 1HG2 VAL 6 2.854 -4.207 9.103 42 HG22 VAL 6 2HG2 VAL 6 1.956 -4.694 7.650 43 HG23 VAL 6 3HG2 VAL 6 2.548 -5.920 8.797 44 H GLN 7 H GLN 7 6.254 -7.483 6.723 45 HA GLN 7 HA GLN 7 7.757 -5.876 4.785 46 HB2 GLN 7 2HB GLN 7 8.272 -7.322 7.308 47 HB3 GLN 7 3HB GLN 7 9.421 -7.812 6.021 48 HG2 GLN 7 2HG GLN 7 10.190 -5.871 7.433 49 HG3 GLN 7 3HG GLN 7 10.039 -5.454 5.708 50 HE21 GLN 7 1HE2 GLN 7 8.654 -3.861 5.143 51 HE22 GLN 7 2HE2 GLN 7 7.116 -3.664 5.947 52 H ASP 8 H ASP 8 6.966 -9.233 5.116 53 HA ASP 8 HA ASP 8 7.985 -10.190 2.614 54 HB2 ASP 8 2HB ASP 8 7.263 -11.816 4.278 55 HB3 ASP 8 3HB ASP 8 5.650 -11.035 4.416 56 H PHE 9 H PHE 9 4.633 -9.094 3.510 57 HA PHE 9 HA PHE 9 3.620 -9.035 0.929 58 HB2 PHE 9 2HB PHE 9 2.147 -8.655 2.997 59 HB3 PHE 9 3HB PHE 9 3.001 -7.123 3.214 60 HD1 PHE 9 1HD PHE 9 2.482 -5.213 2.000 61 HD2 PHE 9 2HD PHE 9 0.964 -8.995 0.686 62 HE1 PHE 9 1HE PHE 9 1.319 -4.100 0.153 63 HE2 PHE 9 2HE PHE 9 -0.259 -7.788 -1.230 64 HZ PHE 9 HZ PHE 9 -0.110 -5.391 -1.428 65 H VAL 10 H VAL 10 5.150 -6.255 2.698 66 HA VAL 10 HA VAL 10 5.018 -4.471 0.494 67 HB VAL 10 HB VAL 10 6.944 -4.564 2.809 68 HG11 VAL 10 1HG1 VAL 10 8.318 -3.544 1.091 69 HG12 VAL 10 2HG1 VAL 10 6.982 -2.489 0.570 70 HG13 VAL 10 3HG1 VAL 10 7.740 -2.273 2.170 71 HG21 VAL 10 1HG2 VAL 10 5.018 -2.344 2.004 72 HG22 VAL 10 2HG2 VAL 10 4.424 -3.750 2.875 73 HG23 VAL 10 3HG2 VAL 10 5.665 -2.708 3.610 74 H VAL 11 H VAL 11 7.703 -6.708 1.328 75 HA VAL 11 HA VAL 11 9.362 -6.143 -0.911 76 HB VAL 11 HB VAL 11 9.016 -8.537 0.910 77 HG11 VAL 11 1HG1 VAL 11 11.109 -8.363 -1.291 78 HG12 VAL 11 2HG1 VAL 11 11.147 -9.486 0.079 79 HG13 VAL 11 3HG1 VAL 11 9.856 -9.610 -1.114 80 HG21 VAL 11 1HG2 VAL 11 11.319 -6.583 0.482 81 HG22 VAL 11 2HG2 VAL 11 10.059 -6.373 1.705 82 HG23 VAL 11 3HG2 VAL 11 11.143 -7.768 1.803 83 H ASP 12 H ASP 12 6.416 -8.083 -0.837 84 HA ASP 12 HA ASP 12 6.866 -9.552 -3.245 85 HB2 ASP 12 2HB ASP 12 4.905 -9.389 -1.249 86 HB3 ASP 12 3HB ASP 12 4.058 -8.845 -2.668 87 H ILE 13 H ILE 13 5.392 -6.409 -2.677 88 HA ILE 13 HA ILE 13 4.875 -5.540 -5.563 89 HB ILE 13 HB ILE 13 5.203 -4.064 -2.976 90 HG12 ILE 13 2HG1 ILE 13 2.865 -3.529 -3.272 91 HG13 ILE 13 3HG1 ILE 13 2.779 -4.498 -4.735 92 HG21 ILE 13 1HG2 ILE 13 4.497 -2.142 -4.453 93 HG22 ILE 13 2HG2 ILE 13 6.040 -2.746 -4.928 94 HG23 ILE 13 3HG2 ILE 13 4.607 -3.204 -5.863 95 HD11 ILE 13 1HD1 ILE 13 1.675 -5.497 -2.822 96 HD12 ILE 13 2HD1 ILE 13 2.977 -6.529 -3.355 97 HD13 ILE 13 3HD1 ILE 13 3.198 -5.499 -1.901 98 H LEU 14 H LEU 14 7.403 -5.138 -3.003 99 HA LEU 14 HA LEU 14 8.636 -3.197 -4.517 100 HB2 LEU 14 2HB LEU 14 8.787 -4.118 -1.893 101 HB3 LEU 14 3HB LEU 14 10.340 -4.554 -2.490 102 HG LEU 14 HG LEU 14 9.080 -1.807 -2.298 103 HD11 LEU 14 1HD1 LEU 14 10.119 -2.714 -0.245 104 HD12 LEU 14 2HD1 LEU 14 11.031 -1.326 -0.858 105 HD13 LEU 14 3HD1 LEU 14 11.645 -2.969 -1.113 106 HD21 LEU 14 1HD2 LEU 14 11.625 -2.609 -3.760 107 HD22 LEU 14 2HD2 LEU 14 11.243 -0.943 -3.258 108 HD23 LEU 14 3HD2 LEU 14 10.193 -1.788 -4.414 109 H LEU 15 H LEU 15 9.787 -6.536 -3.950 110 HA LEU 15 HA LEU 15 11.992 -6.193 -5.897 111 HB2 LEU 15 2HB LEU 15 11.314 -8.319 -3.825 112 HB3 LEU 15 3HB LEU 15 12.470 -8.633 -5.106 113 HG LEU 15 HG LEU 15 13.552 -8.074 -2.992 114 HD11 LEU 15 1HD1 LEU 15 14.701 -7.694 -5.152 115 HD12 LEU 15 2HD1 LEU 15 15.237 -6.561 -3.903 116 HD13 LEU 15 3HD1 LEU 15 14.126 -6.016 -5.171 117 HD21 LEU 15 1HD2 LEU 15 13.631 -5.841 -2.079 118 HD22 LEU 15 2HD2 LEU 15 11.941 -6.353 -2.151 119 HD23 LEU 15 3HD2 LEU 15 12.578 -5.214 -3.356 120 H ASN 16 H ASN 16 9.143 -8.297 -5.294 121 HA ASN 16 HA ASN 16 9.662 -9.688 -7.813 122 HB2 ASN 16 2HB ASN 16 7.432 -10.168 -5.827 123 HB3 ASN 16 3HB ASN 16 7.957 -11.246 -7.135 124 HD21 ASN 16 1HD2 ASN 16 8.298 -10.654 -3.826 125 HD22 ASN 16 2HD2 ASN 16 9.826 -11.478 -3.592 126 H GLY 17 H GLY 17 7.816 -6.977 -6.895 127 HA2 GLY 17 2HA GLY 17 6.620 -5.570 -8.310 128 HA3 GLY 17 3HA GLY 17 6.426 -6.843 -9.513 129 H ALA 18 H ALA 18 4.652 -4.990 -8.147 130 HA ALA 18 HA ALA 18 2.459 -6.529 -6.993 131 HB1 ALA 18 1HB ALA 18 1.182 -4.491 -7.782 132 HB2 ALA 18 2HB ALA 18 2.650 -4.011 -6.933 133 HB3 ALA 18 3HB ALA 18 2.595 -3.985 -8.727 134 H ARG 19 H ARG 19 0.384 -6.462 -8.389 135 HA ARG 19 HA ARG 19 0.370 -7.780 -10.969 136 HB2 ARG 19 2HB ARG 19 -1.779 -5.971 -9.807 137 HB3 ARG 19 3HB ARG 19 -2.000 -7.251 -10.992 138 HG2 ARG 19 2HG ARG 19 -1.410 -7.412 -8.121 139 HG3 ARG 19 3HG ARG 19 -2.962 -7.914 -8.893 140 HD2 ARG 19 2HD ARG 19 -0.436 -9.551 -9.542 141 HD3 ARG 19 3HD ARG 19 -1.068 -9.652 -7.944 142 HE ARG 19 HE ARG 19 -3.134 -10.508 -8.656 143 HH11 ARG 19 1HH1 ARG 19 -2.081 -11.611 -12.303 144 HH12 ARG 19 2HH1 ARG 19 -0.797 -10.876 -11.409 145 HH21 ARG 19 1HH2 ARG 19 -3.868 -12.274 -11.410 146 HH22 ARG 19 2HH2 ARG 19 -4.344 -11.789 -9.786 147 H ASP 20 H ASP 20 -1.387 -6.063 -12.058 148 HA ASP 20 HA ASP 20 0.009 -4.745 -14.129 149 HB2 ASP 20 2HB ASP 20 -2.602 -5.440 -13.299 150 HB3 ASP 20 3HB ASP 20 -2.652 -3.709 -13.335 151 H TRP 21 H TRP 21 0.252 -3.538 -11.043 152 HA TRP 21 HA TRP 21 0.077 -0.769 -11.453 153 HB2 TRP 21 2HB TRP 21 1.560 -2.192 -9.153 154 HB3 TRP 21 3HB TRP 21 0.990 -0.672 -9.243 155 HD1 TRP 21 1HD TRP 21 -1.370 -3.685 -9.806 156 HE1 TRP 21 1HE TRP 21 -3.389 -3.394 -8.633 157 HE3 TRP 21 3HE TRP 21 0.163 0.435 -7.377 158 HZ2 TRP 21 2HZ TRP 21 -4.509 -1.239 -6.796 159 HZ3 TRP 21 3HZ TRP 21 -1.590 1.799 -6.028 160 HH2 TRP 21 2HH TRP 21 -3.796 0.922 -5.699 161 H ASP 22 H ASP 22 1.855 0.542 -10.857 162 HA ASP 22 HA ASP 22 4.546 -0.029 -12.022 163 HB2 ASP 22 2HB ASP 22 3.390 2.018 -12.820 164 HB3 ASP 22 3HB ASP 22 3.202 2.550 -11.152 165 H VAL 23 H VAL 23 6.309 0.722 -10.409 166 HA VAL 23 HA VAL 23 5.672 -0.331 -7.764 167 HB VAL 23 HB VAL 23 8.000 -1.372 -9.501 168 HG11 VAL 23 1HG1 VAL 23 8.595 -2.710 -7.449 169 HG12 VAL 23 2HG1 VAL 23 8.802 -0.986 -7.225 170 HG13 VAL 23 3HG1 VAL 23 7.392 -1.789 -6.513 171 HG21 VAL 23 1HG2 VAL 23 7.035 -3.587 -9.132 172 HG22 VAL 23 2HG2 VAL 23 5.695 -2.918 -8.167 173 HG23 VAL 23 3HG2 VAL 23 5.842 -2.565 -9.901 174 H LEU 24 H LEU 24 5.843 1.351 -6.776 175 HA LEU 24 HA LEU 24 7.948 3.334 -7.591 176 HB2 LEU 24 2HB LEU 24 5.102 3.652 -7.494 177 HB3 LEU 24 3HB LEU 24 5.813 4.578 -6.326 178 HG LEU 24 HG LEU 24 7.001 4.525 -9.150 179 HD11 LEU 24 1HD1 LEU 24 4.969 6.374 -7.945 180 HD12 LEU 24 2HD1 LEU 24 4.738 5.157 -9.239 181 HD13 LEU 24 3HD1 LEU 24 5.768 6.578 -9.541 182 HD21 LEU 24 1HD2 LEU 24 7.326 6.532 -6.851 183 HD22 LEU 24 2HD2 LEU 24 7.892 6.799 -8.511 184 HD23 LEU 24 3HD2 LEU 24 8.594 5.503 -7.559 185 H GLN 25 H GLN 25 8.981 4.484 -6.089 186 HA GLN 25 HA GLN 25 8.197 4.069 -3.283 187 HB2 GLN 25 2HB GLN 25 11.025 4.003 -4.359 188 HB3 GLN 25 3HB GLN 25 10.602 4.379 -2.676 189 HG2 GLN 25 2HG GLN 25 10.719 2.171 -2.462 190 HG3 GLN 25 3HG GLN 25 9.056 2.198 -2.849 191 HE21 GLN 25 1HE2 GLN 25 8.337 0.829 -4.649 192 HE22 GLN 25 2HE2 GLN 25 9.551 -0.028 -5.578 193 H THR 26 H THR 26 6.926 5.510 -3.396 194 HA THR 26 HA THR 26 8.001 8.169 -2.697 195 HB THR 26 HB THR 26 7.198 8.378 -4.965 196 HG1 THR 26 1HG THR 26 6.021 10.150 -4.548 197 HG21 THR 26 1HG2 THR 26 4.419 7.674 -3.904 198 HG22 THR 26 2HG2 THR 26 5.368 6.651 -5.040 199 HG23 THR 26 3HG2 THR 26 4.839 8.254 -5.545 200 H THR 27 H THR 27 5.668 9.381 -1.681 201 HA THR 27 HA THR 27 4.720 7.686 0.532 202 HB THR 27 HB THR 27 5.503 9.358 2.201 203 HG1 THR 27 1HG THR 27 5.985 11.069 0.786 204 HG21 THR 27 1HG2 THR 27 6.805 7.258 2.005 205 HG22 THR 27 2HG2 THR 27 7.846 8.626 2.381 206 HG23 THR 27 3HG2 THR 27 7.813 7.978 0.727 207 H CYS 28 H CYS 28 2.732 8.615 1.155 208 HA CYS 28 HA CYS 28 2.031 11.190 -0.166 209 HB2 CYS 28 2HB CYS 28 0.978 9.363 -1.134 210 HB3 CYS 28 3HB CYS 28 0.449 8.680 0.316 211 HG CYS 28 HG CYS 28 -1.590 9.839 -1.121 212 H THR 29 H THR 29 0.689 12.589 0.892 213 HA THR 29 HA THR 29 0.671 12.148 3.790 214 HB THR 29 HB THR 29 0.401 14.907 2.465 215 HG1 THR 29 1HG THR 29 2.857 13.812 3.300 216 HG21 THR 29 1HG2 THR 29 -0.231 14.963 4.775 217 HG22 THR 29 2HG2 THR 29 1.325 15.785 4.607 218 HG23 THR 29 3HG2 THR 29 1.250 14.142 5.279 219 H VAL 30 H VAL 30 -1.098 11.825 4.722 220 HA VAL 30 HA VAL 30 -3.553 13.253 3.946 221 HB VAL 30 HB VAL 30 -3.527 10.228 3.491 222 HG11 VAL 30 1HG1 VAL 30 -5.648 10.807 4.589 223 HG12 VAL 30 2HG1 VAL 30 -5.850 12.246 3.546 224 HG13 VAL 30 3HG1 VAL 30 -5.964 10.598 2.882 225 HG21 VAL 30 1HG2 VAL 30 -4.436 10.827 1.256 226 HG22 VAL 30 2HG2 VAL 30 -4.108 12.534 1.599 227 HG23 VAL 30 3HG2 VAL 30 -2.773 11.353 1.511 228 H ASP 31 H ASP 31 -5.266 13.075 5.554 229 HA ASP 31 HA ASP 31 -6.052 13.028 7.686 230 HB2 ASP 31 2HB ASP 31 -4.805 10.374 7.262 231 HB3 ASP 31 3HB ASP 31 -4.908 10.757 8.925 232 H ARG 32 H ARG 32 -3.363 14.243 7.215 233 HA ARG 32 HA ARG 32 -1.747 15.446 8.328 234 HB2 ARG 32 2HB ARG 32 -3.169 14.845 10.960 235 HB3 ARG 32 3HB ARG 32 -1.952 16.081 10.643 236 HG2 ARG 32 2HG ARG 32 -3.500 17.313 9.192 237 HG3 ARG 32 3HG ARG 32 -4.733 16.039 9.384 238 HD2 ARG 32 2HD ARG 32 -4.634 16.386 11.845 239 HD3 ARG 32 3HD ARG 32 -3.526 17.749 11.612 240 HE ARG 32 HE ARG 32 -5.677 18.354 9.983 241 HH11 ARG 32 1HH1 ARG 32 -6.790 18.538 13.849 242 HH12 ARG 32 2HH1 ARG 32 -5.566 17.401 13.408 243 HH21 ARG 32 1HH2 ARG 32 -7.937 19.626 12.218 244 HH22 ARG 32 2HH2 ARG 32 -7.402 19.510 10.549 245 H LYS 33 H LYS 33 -1.534 12.737 7.722 246 HA LYS 33 HA LYS 33 0.745 11.890 9.345 247 HB2 LYS 33 2HB LYS 33 -1.298 10.646 10.210 248 HB3 LYS 33 3HB LYS 33 -1.600 10.043 8.584 249 HG2 LYS 33 2HG LYS 33 0.339 8.769 8.569 250 HG3 LYS 33 3HG LYS 33 1.088 9.720 9.882 251 HD2 LYS 33 2HD LYS 33 0.634 7.961 11.194 252 HD3 LYS 33 3HD LYS 33 -1.029 8.581 11.220 253 HE2 LYS 33 2HE LYS 33 -1.482 7.258 9.168 254 HE3 LYS 33 3HE LYS 33 0.168 6.576 9.233 255 HZ1 LYS 33 1HZ LYS 33 -0.406 5.700 11.455 256 HZ2 LYS 33 2HZ LYS 33 -1.133 5.010 10.155 257 HZ3 LYS 33 3HZ LYS 33 -2.004 6.032 11.128 258 H VAL 34 H VAL 34 2.027 10.252 8.051 259 HA VAL 34 HA VAL 34 1.660 10.613 5.115 260 HB VAL 34 HB VAL 34 4.115 10.885 6.741 261 HG11 VAL 34 1HG1 VAL 34 4.835 9.313 4.944 262 HG12 VAL 34 2HG1 VAL 34 4.070 10.362 3.726 263 HG13 VAL 34 3HG1 VAL 34 5.499 10.913 4.620 264 HG21 VAL 34 1HG2 VAL 34 4.468 12.932 5.405 265 HG22 VAL 34 2HG2 VAL 34 2.970 12.561 4.514 266 HG23 VAL 34 3HG2 VAL 34 2.916 12.927 6.265 267 H TYR 35 H TYR 35 1.681 8.906 3.968 268 HA TYR 35 HA TYR 35 2.143 6.215 5.194 269 HB2 TYR 35 2HB TYR 35 0.336 7.066 2.920 270 HB3 TYR 35 3HB TYR 35 0.422 5.466 3.665 271 HD1 TYR 35 1HD TYR 35 -0.918 8.825 3.915 272 HD2 TYR 35 2HD TYR 35 -0.098 5.151 6.023 273 HE1 TYR 35 1HE TYR 35 -2.656 9.427 5.576 274 HE2 TYR 35 2HE TYR 35 -1.969 5.702 7.668 275 HH TYR 35 HH TYR 35 -3.827 8.749 7.465 276 H LYS 36 H LYS 36 3.591 4.968 4.278 277 HA LYS 36 HA LYS 36 4.991 6.166 1.986 278 HB2 LYS 36 2HB LYS 36 5.870 3.791 3.539 279 HB3 LYS 36 3HB LYS 36 6.841 4.950 2.718 280 HG2 LYS 36 2HG LYS 36 6.405 6.651 4.441 281 HG3 LYS 36 3HG LYS 36 5.280 5.557 5.278 282 HD2 LYS 36 2HD LYS 36 7.404 5.643 6.413 283 HD3 LYS 36 3HD LYS 36 7.051 4.013 5.846 284 HE2 LYS 36 2HE LYS 36 8.721 4.021 4.253 285 HE3 LYS 36 3HE LYS 36 8.614 5.761 3.989 286 HZ1 LYS 36 1HZ LYS 36 9.880 4.428 6.302 287 HZ2 LYS 36 2HZ LYS 36 9.744 6.066 6.174 288 HZ3 LYS 36 3HZ LYS 36 10.653 5.195 5.147 289 H THR 37 H THR 37 4.968 5.487 -0.014 290 HA THR 37 HA THR 37 3.050 3.376 -0.579 291 HB THR 37 HB THR 37 2.555 4.317 -2.625 292 HG1 THR 37 1HG THR 37 5.004 5.625 -2.289 293 HG21 THR 37 1HG2 THR 37 1.640 5.762 -0.869 294 HG22 THR 37 2HG2 THR 37 2.184 6.749 -2.238 295 HG23 THR 37 3HG2 THR 37 3.157 6.684 -0.784 296 H ILE 38 H ILE 38 3.330 1.835 -2.092 297 HA ILE 38 HA ILE 38 6.167 0.980 -2.551 298 HB ILE 38 HB ILE 38 3.783 -0.882 -2.895 299 HG12 ILE 38 2HG1 ILE 38 4.765 -0.044 -0.064 300 HG13 ILE 38 3HG1 ILE 38 3.158 0.181 -0.719 301 HG21 ILE 38 1HG2 ILE 38 5.701 -2.400 -1.845 302 HG22 ILE 38 2HG2 ILE 38 6.425 -1.406 -3.108 303 HG23 ILE 38 3HG2 ILE 38 6.601 -0.971 -1.424 304 HD11 ILE 38 1HD1 ILE 38 2.942 -2.317 -1.034 305 HD12 ILE 38 2HD1 ILE 38 4.434 -2.486 -0.127 306 HD13 ILE 38 3HD1 ILE 38 3.023 -1.757 0.660 307 H CYS 39 H CYS 39 3.055 1.387 -3.952 308 HA CYS 39 HA CYS 39 4.074 1.062 -6.661 309 HB2 CYS 39 2HB CYS 39 2.222 -0.817 -6.990 310 HB3 CYS 39 3HB CYS 39 3.610 -1.131 -6.788 311 HG CYS 39 HG CYS 39 2.981 -1.716 -4.073 312 H LYS 40 H LYS 40 2.886 1.916 -8.140 313 HA LYS 40 HA LYS 40 0.463 3.215 -7.294 314 HB2 LYS 40 2HB LYS 40 2.513 4.676 -7.773 315 HB3 LYS 40 3HB LYS 40 2.579 3.882 -9.338 316 HG2 LYS 40 2HG LYS 40 0.047 5.038 -9.346 317 HG3 LYS 40 3HG LYS 40 1.036 6.103 -8.421 318 HD2 LYS 40 2HD LYS 40 1.172 6.893 -10.703 319 HD3 LYS 40 3HD LYS 40 2.731 6.170 -10.307 320 HE2 LYS 40 2HE LYS 40 1.606 3.970 -11.318 321 HE3 LYS 40 3HE LYS 40 0.486 5.117 -12.071 322 HZ1 LYS 40 1HZ LYS 40 2.334 4.599 -13.544 323 HZ2 LYS 40 2HZ LYS 40 3.453 5.013 -12.424 324 HZ3 LYS 40 3HZ LYS 40 2.495 6.171 -13.107 325 H ARG 41 H ARG 41 -1.358 3.071 -8.509 326 HA ARG 41 HA ARG 41 -1.135 2.167 -11.268 327 HB2 ARG 41 2HB ARG 41 -1.716 0.074 -10.075 328 HB3 ARG 41 3HB ARG 41 -3.174 0.904 -9.439 329 HG2 ARG 41 2HG ARG 41 -3.556 1.383 -12.042 330 HG3 ARG 41 3HG ARG 41 -2.422 0.083 -12.284 331 HD2 ARG 41 2HD ARG 41 -3.831 -1.326 -10.752 332 HD3 ARG 41 3HD ARG 41 -5.009 -0.021 -10.605 333 HE ARG 41 HE ARG 41 -4.376 -1.167 -13.325 334 HH11 ARG 41 1HH1 ARG 41 -8.070 -1.483 -11.774 335 HH12 ARG 41 2HH1 ARG 41 -6.863 -1.061 -10.650 336 HH21 ARG 41 1HH2 ARG 41 -7.583 -2.094 -13.922 337 HH22 ARG 41 2HH2 ARG 41 -5.960 -1.866 -14.535 338 H GLY 42 H GLY 42 -1.938 3.656 -12.315 339 HA2 GLY 42 2HA GLY 42 -3.156 5.568 -12.832 340 HA3 GLY 42 3HA GLY 42 -4.519 4.861 -11.982 341 H ASN 43 H ASN 43 -5.252 6.187 -10.677 342 HA ASN 43 HA ASN 43 -3.587 8.287 -9.338 343 HB2 ASN 43 2HB ASN 43 -5.425 9.569 -9.071 344 HB3 ASN 43 3HB ASN 43 -5.758 8.783 -10.637 345 HD21 ASN 43 1HD2 ASN 43 -6.763 6.261 -9.003 346 HD22 ASN 43 2HD2 ASN 43 -8.305 6.812 -8.439 347 H THR 44 H THR 44 -3.850 5.307 -8.660 348 HA THR 44 HA THR 44 -4.036 5.800 -5.693 349 HB THR 44 HB THR 44 -5.846 4.451 -6.396 350 HG1 THR 44 1HG THR 44 -5.657 2.996 -4.810 351 HG21 THR 44 1HG2 THR 44 -5.481 1.981 -6.824 352 HG22 THR 44 2HG2 THR 44 -3.884 2.502 -7.418 353 HG23 THR 44 3HG2 THR 44 -5.370 3.121 -8.160 354 H TYR 45 H TYR 45 -2.799 4.332 -4.388 355 HA TYR 45 HA TYR 45 -0.049 3.960 -5.114 356 HB2 TYR 45 2HB TYR 45 -1.058 6.340 -3.432 357 HB3 TYR 45 3HB TYR 45 0.556 5.650 -3.327 358 HD1 TYR 45 1HD TYR 45 -1.823 7.119 -5.716 359 HD2 TYR 45 2HD TYR 45 2.278 6.335 -4.797 360 HE1 TYR 45 1HE TYR 45 -1.120 8.611 -7.620 361 HE2 TYR 45 2HE TYR 45 3.007 7.716 -6.722 362 HH TYR 45 HH TYR 45 2.293 9.069 -8.524 363 H LEU 46 H LEU 46 -0.098 2.093 -4.150 364 HA LEU 46 HA LEU 46 -1.641 1.410 -1.756 365 HB2 LEU 46 2HB LEU 46 -0.572 -0.076 -3.883 366 HB3 LEU 46 3HB LEU 46 0.705 0.020 -2.864 367 HG LEU 46 HG LEU 46 -1.086 -0.687 -0.925 368 HD11 LEU 46 1HD1 LEU 46 -3.072 -0.483 -2.281 369 HD12 LEU 46 2HD1 LEU 46 -2.845 -2.201 -1.957 370 HD13 LEU 46 3HD1 LEU 46 -2.423 -1.533 -3.540 371 HD21 LEU 46 1HD2 LEU 46 -0.631 -3.058 -1.388 372 HD22 LEU 46 2HD2 LEU 46 0.762 -1.990 -1.314 373 HD23 LEU 46 3HD2 LEU 46 0.176 -2.590 -2.897 374 H CYS 47 H CYS 47 -0.817 1.612 0.314 375 HA CYS 47 HA CYS 47 2.058 2.101 0.778 376 HB2 CYS 47 2HB CYS 47 0.939 3.872 2.519 377 HB3 CYS 47 3HB CYS 47 1.537 4.352 0.963 378 HG CYS 47 HG CYS 47 -0.840 3.994 -0.272 379 H PHE 48 H PHE 48 2.493 2.278 3.131 380 HA PHE 48 HA PHE 48 0.845 0.431 4.748 381 HB2 PHE 48 2HB PHE 48 2.674 -0.979 5.268 382 HB3 PHE 48 3HB PHE 48 2.661 -0.828 3.526 383 HD1 PHE 48 1HD PHE 48 4.451 0.128 6.583 384 HD2 PHE 48 2HD PHE 48 4.312 0.454 2.302 385 HE1 PHE 48 1HE PHE 48 6.765 1.019 6.584 386 HE2 PHE 48 2HE PHE 48 6.641 1.292 2.268 387 HZ PHE 48 HZ PHE 48 7.910 1.542 4.425 388 H ASP 49 H ASP 49 1.082 0.533 6.984 389 HA ASP 49 HA ASP 49 3.120 2.477 7.936 390 HB2 ASP 49 2HB ASP 49 0.595 2.034 9.438 391 HB3 ASP 49 3HB ASP 49 1.914 3.106 9.876 392 H ASP 50 H ASP 50 2.504 1.757 10.686 393 HA ASP 50 HA ASP 50 4.045 -0.582 11.000 394 HB2 ASP 50 2HB ASP 50 2.514 1.173 12.960 395 HB3 ASP 50 3HB ASP 50 3.552 -0.126 13.525 396 H THR 51 H THR 51 0.951 -0.550 10.248 397 HA THR 51 HA THR 51 -0.155 -2.371 12.383 398 HB THR 51 HB THR 51 -2.288 -1.036 11.934 399 HG1 THR 51 1HG THR 51 -0.445 0.785 10.791 400 HG21 THR 51 1HG2 THR 51 -0.965 -0.608 13.938 401 HG22 THR 51 2HG2 THR 51 -1.684 0.883 13.274 402 HG23 THR 51 3HG2 THR 51 0.049 0.546 13.037 403 H ASN 52 H ASN 52 0.038 -1.729 8.953 404 HA ASN 52 HA ASN 52 -1.433 -3.498 7.700 405 HB2 ASN 52 2HB ASN 52 -3.585 -2.489 7.403 406 HB3 ASN 52 3HB ASN 52 -3.461 -3.278 8.962 407 HD21 ASN 52 1HD2 ASN 52 -3.400 -0.088 7.279 408 HD22 ASN 52 2HD2 ASN 52 -3.950 0.821 8.662 409 H LEU 53 H LEU 53 -2.655 -2.428 5.773 410 HA LEU 53 HA LEU 53 -0.848 -0.343 4.683 411 HB2 LEU 53 2HB LEU 53 -2.130 -2.813 3.505 412 HB3 LEU 53 3HB LEU 53 -1.768 -1.429 2.476 413 HG LEU 53 HG LEU 53 0.608 -1.424 3.475 414 HD11 LEU 53 1HD1 LEU 53 0.579 -2.877 5.355 415 HD12 LEU 53 2HD1 LEU 53 1.285 -3.849 4.028 416 HD13 LEU 53 3HD1 LEU 53 -0.435 -4.037 4.446 417 HD21 LEU 53 1HD2 LEU 53 -0.072 -2.331 1.218 418 HD22 LEU 53 2HD2 LEU 53 -0.157 -3.931 2.066 419 HD23 LEU 53 3HD2 LEU 53 1.378 -3.013 2.002 420 H TYR 54 H TYR 54 -1.797 0.866 2.845 421 HA TYR 54 HA TYR 54 -4.659 1.423 3.163 422 HB2 TYR 54 2HB TYR 54 -2.808 3.789 3.193 423 HB3 TYR 54 3HB TYR 54 -4.497 3.717 3.439 424 HD1 TYR 54 1HD TYR 54 -5.289 3.965 5.581 425 HD2 TYR 54 2HD TYR 54 -1.343 2.267 5.121 426 HE1 TYR 54 1HE TYR 54 -5.034 3.877 8.034 427 HE2 TYR 54 2HE TYR 54 -1.248 1.844 7.546 428 HH TYR 54 HH TYR 54 -2.166 2.339 9.549 429 H ALA 55 H ALA 55 -5.528 2.457 1.204 430 HA ALA 55 HA ALA 55 -3.537 2.775 -1.013 431 HB1 ALA 55 1HB ALA 55 -5.364 2.160 -2.587 432 HB2 ALA 55 2HB ALA 55 -5.018 0.834 -1.482 433 HB3 ALA 55 3HB ALA 55 -6.457 1.842 -1.225 434 H ILE 56 H ILE 56 -3.166 4.884 -1.223 435 HA ILE 56 HA ILE 56 -5.350 6.774 -0.537 436 HB ILE 56 HB ILE 56 -2.460 7.256 -1.033 437 HG12 ILE 56 2HG1 ILE 56 -3.804 8.320 1.401 438 HG13 ILE 56 3HG1 ILE 56 -3.849 6.542 1.287 439 HG21 ILE 56 1HG2 ILE 56 -3.243 9.691 -0.364 440 HG22 ILE 56 2HG2 ILE 56 -3.550 9.186 -2.034 441 HG23 ILE 56 3HG2 ILE 56 -4.853 9.161 -0.808 442 HD11 ILE 56 1HD1 ILE 56 -1.237 6.928 0.746 443 HD12 ILE 56 2HD1 ILE 56 -1.568 8.384 1.701 444 HD13 ILE 56 3HD1 ILE 56 -1.924 6.782 2.371 445 H THR 57 H THR 57 -6.765 6.730 -2.021 446 HA THR 57 HA THR 57 -6.049 6.817 -4.910 447 HB THR 57 HB THR 57 -8.799 6.487 -3.663 448 HG1 THR 57 1HG THR 57 -7.200 4.832 -3.172 449 HG21 THR 57 1HG2 THR 57 -9.337 5.555 -5.884 450 HG22 THR 57 2HG2 THR 57 -7.674 5.841 -6.409 451 HG23 THR 57 3HG2 THR 57 -8.747 7.215 -6.067 452 H GLY 58 H GLY 58 -5.433 8.763 -5.382 453 HA2 GLY 58 2HA GLY 58 -5.360 11.078 -5.630 454 HA3 GLY 58 3HA GLY 58 -7.072 11.157 -5.192 455 H ASP 59 H ASP 59 -7.622 10.985 -2.972 456 HA ASP 59 HA ASP 59 -5.653 11.682 -0.854 457 HB2 ASP 59 2HB ASP 59 -7.170 13.577 -0.176 458 HB3 ASP 59 3HB ASP 59 -6.273 13.814 -1.650 459 H VAL 60 H VAL 60 -7.903 9.632 -1.770 460 HA VAL 60 HA VAL 60 -9.479 9.305 0.713 461 HB VAL 60 HB VAL 60 -9.416 7.692 -1.891 462 HG11 VAL 60 1HG1 VAL 60 -11.156 7.297 0.564 463 HG12 VAL 60 2HG1 VAL 60 -11.464 6.556 -1.030 464 HG13 VAL 60 3HG1 VAL 60 -10.001 6.126 -0.134 465 HG21 VAL 60 1HG2 VAL 60 -11.700 8.595 -2.241 466 HG22 VAL 60 2HG2 VAL 60 -11.475 9.648 -0.817 467 HG23 VAL 60 3HG2 VAL 60 -10.444 9.850 -2.261 468 H VAL 61 H VAL 61 -7.964 8.802 2.195 469 HA VAL 61 HA VAL 61 -6.088 6.612 1.780 470 HB VAL 61 HB VAL 61 -5.604 8.458 3.172 471 HG11 VAL 61 1HG1 VAL 61 -7.829 8.807 4.304 472 HG12 VAL 61 2HG1 VAL 61 -7.513 7.351 5.293 473 HG13 VAL 61 3HG1 VAL 61 -6.458 8.751 5.437 474 HG21 VAL 61 1HG2 VAL 61 -4.526 7.205 5.010 475 HG22 VAL 61 2HG2 VAL 61 -5.638 5.860 4.753 476 HG23 VAL 61 3HG2 VAL 61 -4.438 6.269 3.506 477 H LEU 62 H LEU 62 -7.260 4.878 1.034 478 HA LEU 62 HA LEU 62 -9.379 3.761 2.733 479 HB2 LEU 62 2HB LEU 62 -9.500 3.858 0.259 480 HB3 LEU 62 3HB LEU 62 -8.128 2.829 0.139 481 HG LEU 62 HG LEU 62 -9.831 1.379 -0.266 482 HD11 LEU 62 1HD1 LEU 62 -9.817 0.983 2.712 483 HD12 LEU 62 2HD1 LEU 62 -8.673 0.257 1.543 484 HD13 LEU 62 3HD1 LEU 62 -10.395 -0.165 1.493 485 HD21 LEU 62 1HD2 LEU 62 -11.500 2.694 1.930 486 HD22 LEU 62 2HD2 LEU 62 -12.080 1.441 0.825 487 HD23 LEU 62 3HD2 LEU 62 -11.656 3.039 0.202 488 H LYS 63 H LYS 63 -8.213 3.459 4.593 489 HA LYS 63 HA LYS 63 -6.133 1.660 5.141 490 HB2 LYS 63 2HB LYS 63 -6.976 1.516 7.348 491 HB3 LYS 63 3HB LYS 63 -7.171 3.158 6.761 492 HG2 LYS 63 2HG LYS 63 -9.603 2.656 6.296 493 HG3 LYS 63 3HG LYS 63 -9.370 1.085 7.055 494 HD2 LYS 63 2HD LYS 63 -9.143 3.823 8.382 495 HD3 LYS 63 3HD LYS 63 -10.385 2.585 8.627 496 HE2 LYS 63 2HE LYS 63 -8.385 1.050 9.357 497 HE3 LYS 63 3HE LYS 63 -7.502 2.559 9.529 498 HZ1 LYS 63 1HZ LYS 63 -8.534 1.955 11.651 499 HZ2 LYS 63 2HZ LYS 63 -10.013 1.974 10.986 500 HZ3 LYS 63 3HZ LYS 63 -9.205 3.366 11.104 501 H PHE 64 H PHE 64 -5.731 -0.400 5.060 502 HA PHE 64 HA PHE 64 -7.848 -2.422 4.395 503 HB2 PHE 64 2HB PHE 64 -4.866 -2.519 4.346 504 HB3 PHE 64 3HB PHE 64 -5.916 -3.822 4.086 505 HD1 PHE 64 1HD PHE 64 -3.932 -1.694 2.318 506 HD2 PHE 64 2HD PHE 64 -8.052 -2.977 2.319 507 HE1 PHE 64 1HE PHE 64 -4.102 -1.120 -0.055 508 HE2 PHE 64 2HE PHE 64 -8.246 -2.259 -0.033 509 HZ PHE 64 HZ PHE 64 -6.391 -1.333 -1.224 510 H ALA 65 H ALA 65 -8.464 -3.973 5.866 511 HA ALA 65 HA ALA 65 -7.750 -3.787 8.640 512 HB1 ALA 65 1HB ALA 65 -9.331 -5.554 8.902 513 HB2 ALA 65 2HB ALA 65 -9.961 -4.585 7.548 514 HB3 ALA 65 3HB ALA 65 -9.064 -6.129 7.253 515 H THR 66 H THR 66 -5.569 -4.853 6.506 516 HA THR 66 HA THR 66 -4.347 -6.996 8.052 517 HB THR 66 HB THR 66 -4.929 -7.704 5.268 518 HG1 THR 66 1HG THR 66 -6.902 -7.858 7.393 519 HG21 THR 66 1HG2 THR 66 -3.801 -9.340 6.665 520 HG22 THR 66 2HG2 THR 66 -5.394 -9.932 6.135 521 HG23 THR 66 3HG2 THR 66 -5.178 -9.340 7.810 522 H VAL 67 H VAL 67 -2.568 -7.686 6.772 523 HA VAL 67 HA VAL 67 -1.600 -5.618 4.916 524 HB VAL 67 HB VAL 67 -0.447 -8.356 5.035 525 HG11 VAL 67 1HG1 VAL 67 0.614 -5.573 5.466 526 HG12 VAL 67 2HG1 VAL 67 1.613 -6.911 4.868 527 HG13 VAL 67 3HG1 VAL 67 0.275 -6.219 3.808 528 HG21 VAL 67 1HG2 VAL 67 1.152 -8.046 6.632 529 HG22 VAL 67 2HG2 VAL 67 0.349 -6.598 7.300 530 HG23 VAL 67 3HG2 VAL 67 -0.462 -8.220 7.416 531 H SER 68 H SER 68 -2.599 -9.071 4.812 532 HA SER 68 HA SER 68 -2.301 -9.435 2.140 533 HB2 SER 68 2HB SER 68 -4.347 -10.866 3.858 534 HB3 SER 68 3HB SER 68 -3.487 -11.495 2.426 535 HG SER 68 HG SER 68 -2.139 -12.217 3.923 536 H LYS 69 H LYS 69 -4.875 -7.588 3.509 537 HA LYS 69 HA LYS 69 -6.858 -7.735 1.472 538 HB2 LYS 69 2HB LYS 69 -5.623 -5.493 3.073 539 HB3 LYS 69 3HB LYS 69 -7.138 -5.281 2.161 540 HG2 LYS 69 2HG LYS 69 -7.118 -7.508 4.119 541 HG3 LYS 69 3HG LYS 69 -6.842 -5.891 4.828 542 HD2 LYS 69 2HD LYS 69 -9.180 -6.085 4.934 543 HD3 LYS 69 3HD LYS 69 -8.840 -5.066 3.507 544 HE2 LYS 69 2HE LYS 69 -8.747 -7.375 2.235 545 HE3 LYS 69 3HE LYS 69 -9.281 -8.117 3.694 546 HZ1 LYS 69 1HZ LYS 69 -11.143 -7.714 2.159 547 HZ2 LYS 69 2HZ LYS 69 -10.938 -6.111 2.193 548 HZ3 LYS 69 3HZ LYS 69 -11.402 -6.943 3.563 549 H ALA 70 H ALA 70 -4.034 -5.600 1.863 550 HA ALA 70 HA ALA 70 -4.352 -4.149 -0.555 551 HB1 ALA 70 1HB ALA 70 -2.861 -3.789 1.501 552 HB2 ALA 70 2HB ALA 70 -1.718 -4.915 0.731 553 HB3 ALA 70 3HB ALA 70 -2.173 -3.390 -0.048 554 H ARG 71 H ARG 71 -3.297 -7.507 -0.271 555 HA ARG 71 HA ARG 71 -1.912 -7.635 -2.831 556 HB2 ARG 71 2HB ARG 71 -1.800 -9.209 -0.675 557 HB3 ARG 71 3HB ARG 71 -3.149 -10.003 -1.392 558 HG2 ARG 71 2HG ARG 71 -1.868 -11.056 -2.973 559 HG3 ARG 71 3HG ARG 71 -1.003 -9.518 -3.397 560 HD2 ARG 71 2HD ARG 71 0.615 -11.095 -2.635 561 HD3 ARG 71 3HD ARG 71 0.534 -9.884 -1.436 562 HE ARG 71 HE ARG 71 -1.313 -11.987 -0.755 563 HH11 ARG 71 1HH1 ARG 71 2.644 -12.455 0.345 564 HH12 ARG 71 2HH1 ARG 71 2.321 -11.595 -1.096 565 HH21 ARG 71 1HH2 ARG 71 1.195 -13.532 1.360 566 HH22 ARG 71 2HH2 ARG 71 -0.527 -13.310 1.126 567 H ALA 72 H ALA 72 -5.119 -8.420 -1.607 568 HA ALA 72 HA ALA 72 -6.218 -9.565 -4.083 569 HB1 ALA 72 1HB ALA 72 -8.266 -9.550 -2.671 570 HB2 ALA 72 2HB ALA 72 -6.810 -10.177 -1.741 571 HB3 ALA 72 3HB ALA 72 -7.473 -8.573 -1.514 572 H TYR 73 H TYR 73 -6.151 -6.403 -2.523 573 HA TYR 73 HA TYR 73 -8.061 -4.979 -4.266 574 HB2 TYR 73 2HB TYR 73 -7.486 -4.189 -2.078 575 HB3 TYR 73 3HB TYR 73 -5.808 -4.150 -2.404 576 HD1 TYR 73 1HD TYR 73 -4.756 -2.416 -3.628 577 HD2 TYR 73 2HD TYR 73 -9.071 -2.525 -3.239 578 HE1 TYR 73 1HE TYR 73 -4.945 -0.030 -4.405 579 HE2 TYR 73 2HE TYR 73 -9.194 -0.179 -4.087 580 HH TYR 73 HH TYR 73 -8.047 1.627 -4.889 581 H LEU 74 H LEU 74 -4.377 -5.537 -4.283 582 HA LEU 74 HA LEU 74 -3.822 -4.089 -6.453 583 HB2 LEU 74 2HB LEU 74 -2.677 -6.138 -4.734 584 HB3 LEU 74 3HB LEU 74 -2.473 -6.639 -6.554 585 HG LEU 74 HG LEU 74 -1.139 -4.622 -6.745 586 HD11 LEU 74 1HD1 LEU 74 -2.360 -2.996 -5.302 587 HD12 LEU 74 2HD1 LEU 74 -0.577 -2.986 -5.085 588 HD13 LEU 74 3HD1 LEU 74 -1.639 -3.905 -3.970 589 HD21 LEU 74 1HD2 LEU 74 -0.029 -6.630 -5.871 590 HD22 LEU 74 2HD2 LEU 74 -0.405 -5.939 -4.254 591 HD23 LEU 74 3HD2 LEU 74 0.733 -5.066 -5.277 592 H GLU 75 H GLU 75 -5.389 -7.176 -6.523 593 HA GLU 75 HA GLU 75 -5.129 -7.148 -9.563 594 HB2 GLU 75 2HB GLU 75 -6.330 -9.405 -9.426 595 HB3 GLU 75 3HB GLU 75 -4.795 -9.271 -8.925 596 HG2 GLU 75 2HG GLU 75 -4.884 -9.539 -6.582 597 HG3 GLU 75 3HG GLU 75 -6.918 -9.408 -6.930 598 H THR 76 H THR 76 -7.370 -5.897 -7.171 599 HA THR 76 HA THR 76 -9.626 -5.892 -9.062 600 HB THR 76 HB THR 76 -9.616 -6.811 -6.063 601 HG1 THR 76 1HG THR 76 -8.982 -8.367 -7.580 602 HG21 THR 76 1HG2 THR 76 -11.886 -6.339 -8.164 603 HG22 THR 76 2HG2 THR 76 -11.623 -5.557 -6.567 604 HG23 THR 76 3HG2 THR 76 -12.036 -7.255 -6.621 605 H LYS 77 H LYS 77 -9.320 -3.996 -9.512 606 HA LYS 77 HA LYS 77 -9.935 -1.827 -9.655 607 HB2 LYS 77 2HB LYS 77 -11.367 -2.692 -7.306 608 HB3 LYS 77 3HB LYS 77 -11.244 -0.942 -7.460 609 HG2 LYS 77 2HG LYS 77 -13.333 -1.896 -8.420 610 HG3 LYS 77 3HG LYS 77 -12.317 -1.017 -9.618 611 HD2 LYS 77 2HD LYS 77 -11.652 -3.079 -10.664 612 HD3 LYS 77 3HD LYS 77 -12.317 -4.056 -9.389 613 HE2 LYS 77 2HE LYS 77 -14.503 -3.548 -9.933 614 HE3 LYS 77 3HE LYS 77 -14.049 -2.101 -10.949 615 HZ1 LYS 77 1HZ LYS 77 -13.813 -4.971 -11.622 616 HZ2 LYS 77 2HZ LYS 77 -12.980 -3.841 -12.465 617 HZ3 LYS 77 3HZ LYS 77 -14.626 -3.812 -12.460 Start of MODEL 17 1 H2 SER 1 2H SER 1 4.388 -6.916 17.697 2 H3 SER 1 3H SER 1 3.743 -8.395 17.836 3 HA SER 1 HA SER 1 4.920 -8.103 15.719 4 HB2 SER 1 2HB SER 1 2.944 -9.651 15.952 5 HB3 SER 1 3HB SER 1 1.929 -8.372 15.303 6 HG SER 1 HG SER 1 2.629 -9.541 13.588 7 H HIS 2 H HIS 2 4.794 -7.073 13.531 8 HA HIS 2 HA HIS 2 3.281 -4.760 12.942 9 HB2 HIS 2 2HB HIS 2 5.211 -3.034 13.243 10 HB3 HIS 2 3HB HIS 2 4.224 -3.440 14.607 11 HD1 HIS 2 1HD HIS 2 5.505 -4.660 16.704 12 HD2 HIS 2 2HD HIS 2 7.834 -3.574 13.373 13 HE1 HIS 2 1HE HIS 2 7.925 -4.871 17.408 14 H MET 3 H MET 3 6.707 -4.574 12.388 15 HA MET 3 HA MET 3 6.732 -4.922 9.538 16 HB2 MET 3 2HB MET 3 8.939 -4.928 11.594 17 HB3 MET 3 3HB MET 3 9.167 -4.902 9.844 18 HG2 MET 3 2HG MET 3 7.851 -2.830 9.649 19 HG3 MET 3 3HG MET 3 7.611 -2.794 11.383 20 HE1 MET 3 1HE MET 3 8.509 -0.502 11.956 21 HE2 MET 3 2HE MET 3 9.888 0.214 11.100 22 HE3 MET 3 3HE MET 3 8.429 -0.282 10.197 23 H THR 4 H THR 4 5.373 -7.257 10.663 24 HA THR 4 HA THR 4 7.285 -9.424 9.923 25 HB THR 4 HB THR 4 4.726 -9.715 11.474 26 HG1 THR 4 1HG THR 4 7.285 -9.432 12.615 27 HG21 THR 4 1HG2 THR 4 5.702 -11.777 10.592 28 HG22 THR 4 2HG2 THR 4 5.841 -11.722 12.357 29 HG23 THR 4 3HG2 THR 4 7.263 -11.378 11.346 30 H ALA 5 H ALA 5 3.693 -9.154 9.805 31 HA ALA 5 HA ALA 5 3.698 -10.502 7.219 32 HB1 ALA 5 1HB ALA 5 1.265 -10.112 7.334 33 HB2 ALA 5 2HB ALA 5 1.872 -10.753 8.862 34 HB3 ALA 5 3HB ALA 5 1.479 -9.033 8.723 35 H VAL 6 H VAL 6 3.170 -7.118 8.202 36 HA VAL 6 HA VAL 6 2.665 -5.995 5.735 37 HB VAL 6 HB VAL 6 2.589 -4.980 8.117 38 HG11 VAL 6 1HG1 VAL 6 5.231 -3.768 7.207 39 HG12 VAL 6 2HG1 VAL 6 4.324 -3.422 8.705 40 HG13 VAL 6 3HG1 VAL 6 5.038 -5.030 8.454 41 HG21 VAL 6 1HG2 VAL 6 2.483 -2.693 7.158 42 HG22 VAL 6 2HG2 VAL 6 3.197 -3.315 5.643 43 HG23 VAL 6 3HG2 VAL 6 1.614 -3.906 6.218 44 H GLN 7 H GLN 7 5.737 -6.855 7.131 45 HA GLN 7 HA GLN 7 7.396 -5.479 5.271 46 HB2 GLN 7 2HB GLN 7 8.082 -6.111 7.557 47 HB3 GLN 7 3HB GLN 7 7.768 -7.815 7.240 48 HG2 GLN 7 2HG GLN 7 10.110 -7.572 7.301 49 HG3 GLN 7 3HG GLN 7 9.711 -7.769 5.588 50 HE21 GLN 7 1HE2 GLN 7 9.062 -5.469 4.573 51 HE22 GLN 7 2HE2 GLN 7 10.014 -4.117 5.119 52 H ASP 8 H ASP 8 6.928 -8.846 5.784 53 HA ASP 8 HA ASP 8 7.893 -10.182 3.577 54 HB2 ASP 8 2HB ASP 8 7.049 -11.202 5.652 55 HB3 ASP 8 3HB ASP 8 5.398 -10.756 5.231 56 H PHE 9 H PHE 9 4.587 -8.809 3.840 57 HA PHE 9 HA PHE 9 3.706 -9.376 1.188 58 HB2 PHE 9 2HB PHE 9 2.130 -8.655 3.046 59 HB3 PHE 9 3HB PHE 9 3.040 -7.158 3.161 60 HD1 PHE 9 1HD PHE 9 1.021 -9.095 0.637 61 HD2 PHE 9 2HD PHE 9 2.514 -5.265 1.898 62 HE1 PHE 9 1HE PHE 9 -0.146 -7.983 -1.259 63 HE2 PHE 9 2HE PHE 9 1.318 -4.185 0.022 64 HZ PHE 9 HZ PHE 9 -0.051 -5.534 -1.539 65 H VAL 10 H VAL 10 5.101 -6.388 2.521 66 HA VAL 10 HA VAL 10 4.764 -4.760 0.274 67 HB VAL 10 HB VAL 10 6.790 -4.667 2.496 68 HG11 VAL 10 1HG1 VAL 10 6.583 -2.560 0.305 69 HG12 VAL 10 2HG1 VAL 10 7.415 -2.343 1.860 70 HG13 VAL 10 3HG1 VAL 10 8.014 -3.536 0.709 71 HG21 VAL 10 1HG2 VAL 10 4.208 -4.012 2.632 72 HG22 VAL 10 2HG2 VAL 10 5.418 -2.969 3.402 73 HG23 VAL 10 3HG2 VAL 10 4.721 -2.541 1.825 74 H VAL 11 H VAL 11 7.600 -6.782 0.935 75 HA VAL 11 HA VAL 11 9.071 -5.979 -1.341 76 HB VAL 11 HB VAL 11 10.098 -8.521 -0.756 77 HG11 VAL 11 1HG1 VAL 11 11.375 -6.472 -1.406 78 HG12 VAL 11 2HG1 VAL 11 10.939 -5.690 0.125 79 HG13 VAL 11 3HG1 VAL 11 11.991 -7.130 0.117 80 HG21 VAL 11 1HG2 VAL 11 10.543 -8.254 1.665 81 HG22 VAL 11 2HG2 VAL 11 9.526 -6.786 1.668 82 HG23 VAL 11 3HG2 VAL 11 8.794 -8.391 1.371 83 H ASP 12 H ASP 12 6.397 -8.041 -1.359 84 HA ASP 12 HA ASP 12 7.113 -9.576 -3.708 85 HB2 ASP 12 2HB ASP 12 5.208 -9.836 -1.862 86 HB3 ASP 12 3HB ASP 12 4.276 -8.826 -2.938 87 H ILE 13 H ILE 13 5.405 -6.543 -3.237 88 HA ILE 13 HA ILE 13 5.157 -5.551 -6.092 89 HB ILE 13 HB ILE 13 5.116 -4.148 -3.456 90 HG12 ILE 13 2HG1 ILE 13 2.715 -3.807 -4.006 91 HG13 ILE 13 3HG1 ILE 13 2.845 -5.008 -5.284 92 HG21 ILE 13 1HG2 ILE 13 4.260 -2.315 -4.892 93 HG22 ILE 13 2HG2 ILE 13 5.885 -2.728 -5.353 94 HG23 ILE 13 3HG2 ILE 13 4.537 -3.302 -6.340 95 HD11 ILE 13 1HD1 ILE 13 1.826 -5.782 -3.105 96 HD12 ILE 13 2HD1 ILE 13 3.163 -6.768 -3.671 97 HD13 ILE 13 3HD1 ILE 13 3.423 -5.595 -2.348 98 H LEU 14 H LEU 14 7.313 -5.037 -3.247 99 HA LEU 14 HA LEU 14 8.675 -3.013 -4.449 100 HB2 LEU 14 2HB LEU 14 8.716 -4.108 -1.892 101 HB3 LEU 14 3HB LEU 14 10.251 -4.618 -2.482 102 HG LEU 14 HG LEU 14 9.218 -1.826 -2.044 103 HD11 LEU 14 1HD1 LEU 14 11.206 -1.600 -0.641 104 HD12 LEU 14 2HD1 LEU 14 11.741 -3.231 -1.096 105 HD13 LEU 14 3HD1 LEU 14 10.257 -3.010 -0.146 106 HD21 LEU 14 1HD2 LEU 14 10.252 -1.653 -4.201 107 HD22 LEU 14 2HD2 LEU 14 11.652 -2.630 -3.689 108 HD23 LEU 14 3HD2 LEU 14 11.393 -0.993 -3.024 109 H LEU 15 H LEU 15 10.031 -6.334 -4.057 110 HA LEU 15 HA LEU 15 12.117 -5.546 -6.031 111 HB2 LEU 15 2HB LEU 15 11.988 -7.779 -3.959 112 HB3 LEU 15 3HB LEU 15 13.290 -7.598 -5.140 113 HG LEU 15 HG LEU 15 12.568 -5.512 -3.026 114 HD11 LEU 15 1HD1 LEU 15 13.537 -7.599 -2.084 115 HD12 LEU 15 2HD1 LEU 15 14.633 -6.221 -1.909 116 HD13 LEU 15 3HD1 LEU 15 14.930 -7.434 -3.172 117 HD21 LEU 15 1HD2 LEU 15 14.761 -4.481 -3.644 118 HD22 LEU 15 2HD2 LEU 15 13.562 -4.381 -4.932 119 HD23 LEU 15 3HD2 LEU 15 14.863 -5.591 -5.029 120 H ASN 16 H ASN 16 9.528 -7.902 -5.529 121 HA ASN 16 HA ASN 16 10.436 -9.471 -7.851 122 HB2 ASN 16 2HB ASN 16 7.842 -9.940 -6.394 123 HB3 ASN 16 3HB ASN 16 8.793 -11.050 -7.326 124 HD21 ASN 16 1HD2 ASN 16 11.196 -9.771 -5.374 125 HD22 ASN 16 2HD2 ASN 16 10.897 -10.823 -3.982 126 H GLY 17 H GLY 17 8.178 -6.869 -7.108 127 HA2 GLY 17 2HA GLY 17 6.920 -5.555 -8.536 128 HA3 GLY 17 3HA GLY 17 7.191 -6.618 -9.885 129 H ALA 18 H ALA 18 4.867 -5.443 -9.330 130 HA ALA 18 HA ALA 18 3.071 -7.166 -7.815 131 HB1 ALA 18 1HB ALA 18 2.635 -4.508 -9.234 132 HB2 ALA 18 2HB ALA 18 1.548 -5.231 -8.020 133 HB3 ALA 18 3HB ALA 18 3.173 -4.677 -7.558 134 H ARG 19 H ARG 19 0.828 -7.144 -8.736 135 HA ARG 19 HA ARG 19 -0.021 -7.765 -11.484 136 HB2 ARG 19 2HB ARG 19 -1.083 -6.701 -8.896 137 HB3 ARG 19 3HB ARG 19 -1.830 -6.039 -10.334 138 HG2 ARG 19 2HG ARG 19 -3.095 -7.821 -9.754 139 HG3 ARG 19 3HG ARG 19 -2.254 -8.361 -11.184 140 HD2 ARG 19 2HD ARG 19 -0.755 -9.139 -8.776 141 HD3 ARG 19 3HD ARG 19 -2.423 -9.650 -8.618 142 HE ARG 19 HE ARG 19 -2.158 -11.223 -10.290 143 HH11 ARG 19 1HH1 ARG 19 1.563 -10.366 -11.465 144 HH12 ARG 19 2HH1 ARG 19 0.818 -9.229 -10.372 145 HH21 ARG 19 1HH2 ARG 19 0.569 -12.027 -12.275 146 HH22 ARG 19 2HH2 ARG 19 -1.063 -12.508 -11.756 147 H ASP 20 H ASP 20 -1.370 -6.010 -12.410 148 HA ASP 20 HA ASP 20 -0.222 -4.494 -14.204 149 HB2 ASP 20 2HB ASP 20 -2.703 -3.973 -12.491 150 HB3 ASP 20 3HB ASP 20 -2.349 -3.237 -14.024 151 H TRP 21 H TRP 21 0.303 -3.675 -10.929 152 HA TRP 21 HA TRP 21 0.272 -0.833 -11.295 153 HB2 TRP 21 2HB TRP 21 1.506 -2.322 -8.877 154 HB3 TRP 21 3HB TRP 21 1.088 -0.669 -9.050 155 HD1 TRP 21 1HD TRP 21 -1.615 -3.303 -10.060 156 HE1 TRP 21 1HE TRP 21 -3.638 -2.897 -8.719 157 HE3 TRP 21 3HE TRP 21 0.305 0.346 -7.135 158 HZ2 TRP 21 2HZ TRP 21 -4.539 -0.748 -6.945 159 HZ3 TRP 21 3HZ TRP 21 -1.241 1.726 -5.737 160 HH2 TRP 21 2HH TRP 21 -3.638 1.112 -5.628 161 H ASP 22 H ASP 22 2.117 0.512 -10.686 162 HA ASP 22 HA ASP 22 4.609 -0.375 -11.954 163 HB2 ASP 22 2HB ASP 22 3.373 1.469 -13.159 164 HB3 ASP 22 3HB ASP 22 3.533 2.458 -11.704 165 H VAL 23 H VAL 23 6.533 0.921 -10.682 166 HA VAL 23 HA VAL 23 5.953 0.011 -7.900 167 HB VAL 23 HB VAL 23 8.347 -0.904 -9.569 168 HG11 VAL 23 1HG1 VAL 23 9.099 -0.307 -7.285 169 HG12 VAL 23 2HG1 VAL 23 7.786 -1.297 -6.589 170 HG13 VAL 23 3HG1 VAL 23 9.117 -2.067 -7.501 171 HG21 VAL 23 1HG2 VAL 23 6.175 -2.499 -8.147 172 HG22 VAL 23 2HG2 VAL 23 6.323 -2.306 -9.904 173 HG23 VAL 23 3HG2 VAL 23 7.570 -3.200 -9.015 174 H LEU 24 H LEU 24 5.903 1.607 -6.952 175 HA LEU 24 HA LEU 24 7.748 3.841 -7.629 176 HB2 LEU 24 2HB LEU 24 4.789 3.732 -7.277 177 HB3 LEU 24 3HB LEU 24 5.680 5.006 -6.785 178 HG LEU 24 HG LEU 24 4.676 5.449 -8.851 179 HD11 LEU 24 1HD1 LEU 24 6.501 6.481 -9.994 180 HD12 LEU 24 2HD1 LEU 24 7.604 5.356 -9.108 181 HD13 LEU 24 3HD1 LEU 24 6.693 6.570 -8.174 182 HD21 LEU 24 1HD2 LEU 24 5.217 4.451 -10.933 183 HD22 LEU 24 2HD2 LEU 24 4.669 3.172 -9.784 184 HD23 LEU 24 3HD2 LEU 24 6.411 3.423 -10.126 185 H GLN 25 H GLN 25 8.957 3.972 -6.072 186 HA GLN 25 HA GLN 25 8.178 3.460 -3.212 187 HB2 GLN 25 2HB GLN 25 10.898 3.830 -4.416 188 HB3 GLN 25 3HB GLN 25 10.512 3.649 -2.741 189 HG2 GLN 25 2HG GLN 25 9.856 1.642 -5.036 190 HG3 GLN 25 3HG GLN 25 11.239 1.495 -4.019 191 HE21 GLN 25 1HE2 GLN 25 8.233 0.167 -4.439 192 HE22 GLN 25 2HE2 GLN 25 7.987 -0.305 -2.795 193 H THR 26 H THR 26 6.815 5.352 -3.208 194 HA THR 26 HA THR 26 8.410 7.624 -2.619 195 HB THR 26 HB THR 26 7.620 8.022 -4.858 196 HG1 THR 26 1HG THR 26 6.548 9.947 -4.476 197 HG21 THR 26 1HG2 THR 26 5.250 8.320 -5.418 198 HG22 THR 26 2HG2 THR 26 4.740 7.734 -3.802 199 HG23 THR 26 3HG2 THR 26 5.585 6.664 -4.963 200 H THR 27 H THR 27 6.084 9.199 -1.708 201 HA THR 27 HA THR 27 5.132 7.724 0.604 202 HB THR 27 HB THR 27 5.955 9.848 1.994 203 HG1 THR 27 1HG THR 27 7.050 10.688 0.148 204 HG21 THR 27 1HG2 THR 27 7.702 7.420 1.372 205 HG22 THR 27 2HG2 THR 27 6.463 7.582 2.657 206 HG23 THR 27 3HG2 THR 27 7.924 8.543 2.746 207 H CYS 28 H CYS 28 3.178 8.679 1.147 208 HA CYS 28 HA CYS 28 2.246 11.088 -0.351 209 HB2 CYS 28 2HB CYS 28 1.337 8.978 -1.157 210 HB3 CYS 28 3HB CYS 28 1.000 8.389 0.401 211 HG CYS 28 HG CYS 28 -0.933 10.265 0.877 212 H THR 29 H THR 29 0.533 12.164 0.860 213 HA THR 29 HA THR 29 0.407 11.447 3.727 214 HB THR 29 HB THR 29 1.851 13.680 3.294 215 HG1 THR 29 1HG THR 29 1.697 13.209 5.327 216 HG21 THR 29 1HG2 THR 29 -0.900 14.731 3.992 217 HG22 THR 29 2HG2 THR 29 -0.214 14.916 2.337 218 HG23 THR 29 3HG2 THR 29 0.593 15.662 3.738 219 H VAL 30 H VAL 30 -1.328 11.444 4.695 220 HA VAL 30 HA VAL 30 -3.713 12.877 3.817 221 HB VAL 30 HB VAL 30 -3.800 9.811 3.513 222 HG11 VAL 30 1HG1 VAL 30 -6.067 11.911 3.454 223 HG12 VAL 30 2HG1 VAL 30 -6.216 10.293 2.764 224 HG13 VAL 30 3HG1 VAL 30 -5.884 10.461 4.478 225 HG21 VAL 30 1HG2 VAL 30 -3.061 10.755 1.404 226 HG22 VAL 30 2HG2 VAL 30 -4.701 10.371 1.192 227 HG23 VAL 30 3HG2 VAL 30 -4.267 12.076 1.422 228 H ASP 31 H ASP 31 -5.489 12.806 5.433 229 HA ASP 31 HA ASP 31 -6.171 12.956 7.614 230 HB2 ASP 31 2HB ASP 31 -4.908 10.232 7.507 231 HB3 ASP 31 3HB ASP 31 -5.250 10.849 9.089 232 H ARG 32 H ARG 32 -3.617 14.062 6.735 233 HA ARG 32 HA ARG 32 -1.881 15.382 7.481 234 HB2 ARG 32 2HB ARG 32 -3.124 15.048 10.265 235 HB3 ARG 32 3HB ARG 32 -1.810 16.144 9.864 236 HG2 ARG 32 2HG ARG 32 -3.150 17.495 8.479 237 HG3 ARG 32 3HG ARG 32 -4.441 16.325 8.346 238 HD2 ARG 32 2HD ARG 32 -3.747 17.499 11.048 239 HD3 ARG 32 3HD ARG 32 -4.740 18.400 9.909 240 HE ARG 32 HE ARG 32 -5.524 15.971 11.379 241 HH11 ARG 32 1HH1 ARG 32 -8.088 17.389 8.672 242 HH12 ARG 32 2HH1 ARG 32 -6.473 18.051 8.644 243 HH21 ARG 32 1HH2 ARG 32 -8.665 15.798 10.037 244 HH22 ARG 32 2HH2 ARG 32 -7.499 15.098 11.170 245 H LYS 33 H LYS 33 -1.883 12.358 7.370 246 HA LYS 33 HA LYS 33 0.556 11.706 8.987 247 HB2 LYS 33 2HB LYS 33 -1.045 10.209 9.971 248 HB3 LYS 33 3HB LYS 33 -1.808 9.968 8.357 249 HG2 LYS 33 2HG LYS 33 -0.090 8.516 7.739 250 HG3 LYS 33 3HG LYS 33 1.075 9.279 8.867 251 HD2 LYS 33 2HD LYS 33 -0.211 8.540 10.782 252 HD3 LYS 33 3HD LYS 33 -1.401 7.768 9.715 253 HE2 LYS 33 2HE LYS 33 0.210 6.646 10.883 254 HE3 LYS 33 3HE LYS 33 0.082 6.129 9.166 255 HZ1 LYS 33 1HZ LYS 33 2.425 7.493 10.382 256 HZ2 LYS 33 2HZ LYS 33 2.119 7.420 8.755 257 HZ3 LYS 33 3HZ LYS 33 2.308 6.030 9.539 258 H VAL 34 H VAL 34 2.086 10.876 7.875 259 HA VAL 34 HA VAL 34 1.838 10.672 4.912 260 HB VAL 34 HB VAL 34 4.059 10.905 6.735 261 HG11 VAL 34 1HG1 VAL 34 5.706 10.731 4.805 262 HG12 VAL 34 2HG1 VAL 34 4.867 9.206 5.089 263 HG13 VAL 34 3HG1 VAL 34 4.341 10.280 3.755 264 HG21 VAL 34 1HG2 VAL 34 4.794 12.855 5.460 265 HG22 VAL 34 2HG2 VAL 34 3.435 12.609 4.344 266 HG23 VAL 34 3HG2 VAL 34 3.136 13.030 6.065 267 H TYR 35 H TYR 35 1.976 8.820 3.939 268 HA TYR 35 HA TYR 35 2.563 6.267 5.371 269 HB2 TYR 35 2HB TYR 35 0.743 6.677 2.962 270 HB3 TYR 35 3HB TYR 35 1.031 5.187 3.877 271 HD1 TYR 35 1HD TYR 35 0.282 4.943 6.147 272 HD2 TYR 35 2HD TYR 35 -0.873 8.275 3.727 273 HE1 TYR 35 1HE TYR 35 -1.530 5.498 7.824 274 HE2 TYR 35 2HE TYR 35 -2.714 8.850 5.366 275 HH TYR 35 HH TYR 35 -3.790 8.212 7.274 276 H LYS 36 H LYS 36 3.726 4.691 3.990 277 HA LYS 36 HA LYS 36 5.289 6.035 1.855 278 HB2 LYS 36 2HB LYS 36 6.019 3.540 3.254 279 HB3 LYS 36 3HB LYS 36 7.038 4.656 2.411 280 HG2 LYS 36 2HG LYS 36 6.984 6.232 4.344 281 HG3 LYS 36 3HG LYS 36 5.851 5.165 5.151 282 HD2 LYS 36 2HD LYS 36 7.956 4.703 6.142 283 HD3 LYS 36 3HD LYS 36 7.542 3.337 5.120 284 HE2 LYS 36 2HE LYS 36 9.720 3.557 4.474 285 HE3 LYS 36 3HE LYS 36 8.986 4.654 3.291 286 HZ1 LYS 36 1HZ LYS 36 10.795 5.818 4.258 287 HZ2 LYS 36 2HZ LYS 36 10.436 5.339 5.783 288 HZ3 LYS 36 3HZ LYS 36 9.476 6.454 5.037 289 H THR 37 H THR 37 5.291 5.243 -0.215 290 HA THR 37 HA THR 37 3.075 3.487 -0.766 291 HB THR 37 HB THR 37 2.907 4.338 -2.896 292 HG1 THR 37 1HG THR 37 5.106 4.119 -3.488 293 HG21 THR 37 1HG2 THR 37 4.025 6.706 -1.304 294 HG22 THR 37 2HG2 THR 37 2.362 6.141 -1.266 295 HG23 THR 37 3HG2 THR 37 3.016 6.805 -2.746 296 H ILE 38 H ILE 38 3.347 1.684 -2.165 297 HA ILE 38 HA ILE 38 6.159 0.714 -2.518 298 HB ILE 38 HB ILE 38 3.790 -1.078 -3.163 299 HG12 ILE 38 2HG1 ILE 38 4.533 -0.270 -0.261 300 HG13 ILE 38 3HG1 ILE 38 2.960 -0.088 -1.071 301 HG21 ILE 38 1HG2 ILE 38 6.523 -1.265 -1.620 302 HG22 ILE 38 2HG2 ILE 38 5.570 -2.659 -2.055 303 HG23 ILE 38 3HG2 ILE 38 6.341 -1.688 -3.305 304 HD11 ILE 38 1HD1 ILE 38 2.791 -1.981 0.365 305 HD12 ILE 38 2HD1 ILE 38 2.665 -2.511 -1.330 306 HD13 ILE 38 3HD1 ILE 38 4.160 -2.780 -0.401 307 H CYS 39 H CYS 39 3.164 1.273 -4.032 308 HA CYS 39 HA CYS 39 4.260 1.115 -6.768 309 HB2 CYS 39 2HB CYS 39 2.432 -0.817 -7.308 310 HB3 CYS 39 3HB CYS 39 3.714 -1.069 -6.588 311 HG CYS 39 HG CYS 39 0.749 -0.275 -5.283 312 H LYS 40 H LYS 40 3.051 2.165 -8.215 313 HA LYS 40 HA LYS 40 0.618 3.305 -7.310 314 HB2 LYS 40 2HB LYS 40 2.618 4.956 -7.665 315 HB3 LYS 40 3HB LYS 40 2.633 4.480 -9.374 316 HG2 LYS 40 2HG LYS 40 0.120 5.389 -9.335 317 HG3 LYS 40 3HG LYS 40 0.714 6.080 -7.843 318 HD2 LYS 40 2HD LYS 40 1.060 7.739 -9.572 319 HD3 LYS 40 3HD LYS 40 2.659 7.038 -9.208 320 HE2 LYS 40 2HE LYS 40 2.557 5.673 -11.248 321 HE3 LYS 40 3HE LYS 40 0.878 6.192 -11.502 322 HZ1 LYS 40 1HZ LYS 40 2.153 7.531 -12.916 323 HZ2 LYS 40 2HZ LYS 40 3.283 7.928 -11.780 324 HZ3 LYS 40 3HZ LYS 40 1.767 8.495 -11.706 325 H ARG 41 H ARG 41 -1.184 3.363 -8.600 326 HA ARG 41 HA ARG 41 -0.882 2.534 -11.387 327 HB2 ARG 41 2HB ARG 41 -1.097 0.353 -10.451 328 HB3 ARG 41 3HB ARG 41 -2.261 0.889 -9.287 329 HG2 ARG 41 2HG ARG 41 -3.261 1.485 -12.010 330 HG3 ARG 41 3HG ARG 41 -2.801 -0.149 -11.926 331 HD2 ARG 41 2HD ARG 41 -4.090 -0.401 -9.723 332 HD3 ARG 41 3HD ARG 41 -4.408 1.269 -9.797 333 HE ARG 41 HE ARG 41 -5.418 -0.537 -11.976 334 HH11 ARG 41 1HH1 ARG 41 -7.796 1.102 -9.227 335 HH12 ARG 41 2HH1 ARG 41 -6.167 1.730 -9.291 336 HH21 ARG 41 1HH2 ARG 41 -8.572 -0.233 -10.545 337 HH22 ARG 41 2HH2 ARG 41 -7.659 -1.002 -11.866 338 H GLY 42 H GLY 42 -1.887 4.032 -12.229 339 HA2 GLY 42 2HA GLY 42 -3.725 5.349 -12.836 340 HA3 GLY 42 3HA GLY 42 -4.642 4.834 -11.441 341 H ASN 43 H ASN 43 -5.127 6.686 -10.508 342 HA ASN 43 HA ASN 43 -2.965 8.371 -9.349 343 HB2 ASN 43 2HB ASN 43 -4.739 9.957 -8.715 344 HB3 ASN 43 3HB ASN 43 -4.556 9.645 -10.473 345 HD21 ASN 43 1HD2 ASN 43 -6.350 7.308 -8.413 346 HD22 ASN 43 2HD2 ASN 43 -7.911 7.732 -9.087 347 H THR 44 H THR 44 -3.573 5.642 -8.730 348 HA THR 44 HA THR 44 -4.165 5.774 -5.789 349 HB THR 44 HB THR 44 -4.285 3.286 -7.540 350 HG1 THR 44 1HG THR 44 -6.621 4.490 -6.579 351 HG21 THR 44 1HG2 THR 44 -5.672 3.736 -4.879 352 HG22 THR 44 2HG2 THR 44 -4.112 2.993 -5.042 353 HG23 THR 44 3HG2 THR 44 -5.519 2.277 -5.856 354 H TYR 45 H TYR 45 -2.834 4.494 -4.351 355 HA TYR 45 HA TYR 45 -0.038 4.150 -4.996 356 HB2 TYR 45 2HB TYR 45 -1.050 6.463 -3.385 357 HB3 TYR 45 3HB TYR 45 0.569 5.813 -3.203 358 HD1 TYR 45 1HD TYR 45 2.307 6.395 -4.717 359 HD2 TYR 45 2HD TYR 45 -1.775 7.409 -5.674 360 HE1 TYR 45 1HE TYR 45 3.086 8.001 -6.363 361 HE2 TYR 45 2HE TYR 45 -1.011 9.022 -7.355 362 HH TYR 45 HH TYR 45 2.453 9.792 -7.822 363 H LEU 46 H LEU 46 0.066 2.353 -3.944 364 HA LEU 46 HA LEU 46 -1.718 1.753 -1.605 365 HB2 LEU 46 2HB LEU 46 -0.416 0.322 -3.825 366 HB3 LEU 46 3HB LEU 46 0.266 -0.096 -2.435 367 HG LEU 46 HG LEU 46 -1.500 -1.578 -3.114 368 HD11 LEU 46 1HD1 LEU 46 -1.323 -1.900 -0.793 369 HD12 LEU 46 2HD1 LEU 46 -3.023 -2.043 -1.362 370 HD13 LEU 46 3HD1 LEU 46 -2.479 -0.577 -0.488 371 HD21 LEU 46 1HD2 LEU 46 -3.882 -0.230 -2.404 372 HD22 LEU 46 2HD2 LEU 46 -3.280 -0.729 -4.017 373 HD23 LEU 46 3HD2 LEU 46 -2.968 0.908 -3.370 374 H CYS 47 H CYS 47 -0.932 2.079 0.377 375 HA CYS 47 HA CYS 47 2.010 2.329 0.730 376 HB2 CYS 47 2HB CYS 47 -0.064 4.048 2.180 377 HB3 CYS 47 3HB CYS 47 1.675 4.343 1.990 378 HG CYS 47 HG CYS 47 -0.202 6.000 0.699 379 H PHE 48 H PHE 48 2.579 2.370 3.115 380 HA PHE 48 HA PHE 48 0.781 0.736 4.778 381 HB2 PHE 48 2HB PHE 48 2.350 -0.988 5.106 382 HB3 PHE 48 3HB PHE 48 2.264 -0.758 3.364 383 HD1 PHE 48 1HD PHE 48 4.413 -0.791 6.217 384 HD2 PHE 48 2HD PHE 48 4.061 0.474 2.134 385 HE1 PHE 48 1HE PHE 48 6.849 -0.732 6.062 386 HE2 PHE 48 2HE PHE 48 6.522 0.571 1.929 387 HZ PHE 48 HZ PHE 48 7.955 -0.110 3.882 388 H ASP 49 H ASP 49 1.294 0.589 6.929 389 HA ASP 49 HA ASP 49 3.266 2.564 8.005 390 HB2 ASP 49 2HB ASP 49 0.761 1.595 9.380 391 HB3 ASP 49 3HB ASP 49 1.923 2.677 10.091 392 H ASP 50 H ASP 50 2.890 1.537 10.627 393 HA ASP 50 HA ASP 50 4.665 -0.628 10.471 394 HB2 ASP 50 2HB ASP 50 3.230 0.539 12.845 395 HB3 ASP 50 3HB ASP 50 4.582 -0.519 13.000 396 H THR 51 H THR 51 1.455 -0.696 10.090 397 HA THR 51 HA THR 51 0.930 -3.104 11.807 398 HB THR 51 HB THR 51 -1.226 -1.058 11.441 399 HG1 THR 51 1HG THR 51 1.184 -0.435 12.725 400 HG21 THR 51 1HG2 THR 51 -1.317 -3.024 13.012 401 HG22 THR 51 2HG2 THR 51 -1.522 -1.439 13.830 402 HG23 THR 51 3HG2 THR 51 0.064 -2.285 13.917 403 H ASN 52 H ASN 52 0.506 -1.790 8.629 404 HA ASN 52 HA ASN 52 -1.072 -3.460 7.384 405 HB2 ASN 52 2HB ASN 52 -3.307 -2.491 7.476 406 HB3 ASN 52 3HB ASN 52 -2.969 -3.559 8.783 407 HD21 ASN 52 1HD2 ASN 52 -3.501 -0.278 7.736 408 HD22 ASN 52 2HD2 ASN 52 -3.703 0.462 9.325 409 H LEU 53 H LEU 53 -2.642 -2.280 5.820 410 HA LEU 53 HA LEU 53 -0.981 -0.204 4.500 411 HB2 LEU 53 2HB LEU 53 -2.401 -2.705 3.490 412 HB3 LEU 53 3HB LEU 53 -2.011 -1.389 2.400 413 HG LEU 53 HG LEU 53 0.377 -1.555 3.655 414 HD11 LEU 53 1HD1 LEU 53 -0.726 -4.352 3.671 415 HD12 LEU 53 2HD1 LEU 53 -0.295 -3.438 5.127 416 HD13 LEU 53 3HD1 LEU 53 0.969 -3.902 3.979 417 HD21 LEU 53 1HD2 LEU 53 1.257 -3.003 1.979 418 HD22 LEU 53 2HD2 LEU 53 0.090 -1.891 1.196 419 HD23 LEU 53 3HD2 LEU 53 -0.353 -3.595 1.578 420 H TYR 54 H TYR 54 -2.069 0.939 2.750 421 HA TYR 54 HA TYR 54 -4.851 1.486 3.245 422 HB2 TYR 54 2HB TYR 54 -3.106 3.925 3.478 423 HB3 TYR 54 3HB TYR 54 -4.791 3.734 3.710 424 HD1 TYR 54 1HD TYR 54 -1.611 2.282 5.367 425 HD2 TYR 54 2HD TYR 54 -5.596 3.888 5.804 426 HE1 TYR 54 1HE TYR 54 -1.538 1.831 7.781 427 HE2 TYR 54 2HE TYR 54 -5.389 3.750 8.232 428 HH TYR 54 HH TYR 54 -3.992 3.223 10.002 429 H ALA 55 H ALA 55 -5.721 1.987 1.254 430 HA ALA 55 HA ALA 55 -3.832 2.609 -1.016 431 HB1 ALA 55 1HB ALA 55 -5.731 2.090 -2.467 432 HB2 ALA 55 2HB ALA 55 -5.537 0.745 -1.324 433 HB3 ALA 55 3HB ALA 55 -6.820 1.930 -1.076 434 H ILE 56 H ILE 56 -3.352 4.661 -1.208 435 HA ILE 56 HA ILE 56 -5.466 6.665 -0.611 436 HB ILE 56 HB ILE 56 -2.553 7.035 -0.958 437 HG12 ILE 56 2HG1 ILE 56 -3.275 8.375 1.308 438 HG13 ILE 56 3HG1 ILE 56 -4.602 7.257 1.295 439 HG21 ILE 56 1HG2 ILE 56 -3.282 9.526 -0.620 440 HG22 ILE 56 2HG2 ILE 56 -3.767 8.875 -2.164 441 HG23 ILE 56 3HG2 ILE 56 -4.955 9.009 -0.838 442 HD11 ILE 56 1HD1 ILE 56 -1.630 6.617 1.513 443 HD12 ILE 56 2HD1 ILE 56 -2.877 6.504 2.764 444 HD13 ILE 56 3HD1 ILE 56 -2.904 5.374 1.393 445 H THR 57 H THR 57 -6.836 7.026 -2.154 446 HA THR 57 HA THR 57 -5.871 7.171 -4.988 447 HB THR 57 HB THR 57 -8.754 6.760 -4.117 448 HG1 THR 57 1HG THR 57 -7.576 4.907 -3.717 449 HG21 THR 57 1HG2 THR 57 -8.967 6.133 -6.535 450 HG22 THR 57 2HG2 THR 57 -7.271 6.597 -6.749 451 HG23 THR 57 3HG2 THR 57 -8.497 7.816 -6.332 452 H GLY 58 H GLY 58 -5.378 9.227 -5.381 453 HA2 GLY 58 2HA GLY 58 -5.510 11.575 -5.481 454 HA3 GLY 58 3HA GLY 58 -7.242 11.425 -5.050 455 H ASP 59 H ASP 59 -7.838 11.252 -2.982 456 HA ASP 59 HA ASP 59 -6.042 12.171 -0.761 457 HB2 ASP 59 2HB ASP 59 -8.730 13.205 -1.801 458 HB3 ASP 59 3HB ASP 59 -8.126 13.628 -0.218 459 H VAL 60 H VAL 60 -7.848 9.678 -1.735 460 HA VAL 60 HA VAL 60 -9.666 9.399 0.610 461 HB VAL 60 HB VAL 60 -9.352 7.781 -1.978 462 HG11 VAL 60 1HG1 VAL 60 -9.952 6.118 -0.318 463 HG12 VAL 60 2HG1 VAL 60 -11.204 7.202 0.357 464 HG13 VAL 60 3HG1 VAL 60 -11.383 6.509 -1.269 465 HG21 VAL 60 1HG2 VAL 60 -11.642 9.534 -0.990 466 HG22 VAL 60 2HG2 VAL 60 -10.487 9.936 -2.287 467 HG23 VAL 60 3HG2 VAL 60 -11.617 8.593 -2.504 468 H VAL 61 H VAL 61 -8.689 8.549 2.347 469 HA VAL 61 HA VAL 61 -6.598 6.469 1.967 470 HB VAL 61 HB VAL 61 -6.115 8.255 3.391 471 HG11 VAL 61 1HG1 VAL 61 -8.382 8.657 4.463 472 HG12 VAL 61 2HG1 VAL 61 -8.136 7.171 5.415 473 HG13 VAL 61 3HG1 VAL 61 -7.056 8.556 5.637 474 HG21 VAL 61 1HG2 VAL 61 -5.040 6.059 3.705 475 HG22 VAL 61 2HG2 VAL 61 -5.148 6.935 5.248 476 HG23 VAL 61 3HG2 VAL 61 -6.294 5.630 4.900 477 H LEU 62 H LEU 62 -7.315 4.626 1.476 478 HA LEU 62 HA LEU 62 -9.601 3.435 2.984 479 HB2 LEU 62 2HB LEU 62 -9.755 3.596 0.568 480 HB3 LEU 62 3HB LEU 62 -8.323 2.724 0.334 481 HG LEU 62 HG LEU 62 -10.162 1.299 -0.126 482 HD11 LEU 62 1HD1 LEU 62 -8.438 0.086 1.116 483 HD12 LEU 62 2HD1 LEU 62 -10.052 -0.622 1.236 484 HD13 LEU 62 3HD1 LEU 62 -9.401 0.281 2.606 485 HD21 LEU 62 1HD2 LEU 62 -12.046 0.860 1.385 486 HD22 LEU 62 2HD2 LEU 62 -11.906 2.591 1.062 487 HD23 LEU 62 3HD2 LEU 62 -11.343 1.927 2.613 488 H LYS 63 H LYS 63 -8.464 3.194 4.814 489 HA LYS 63 HA LYS 63 -6.302 1.531 5.470 490 HB2 LYS 63 2HB LYS 63 -7.488 1.187 7.646 491 HB3 LYS 63 3HB LYS 63 -7.332 2.872 7.167 492 HG2 LYS 63 2HG LYS 63 -9.528 3.247 7.155 493 HG3 LYS 63 3HG LYS 63 -9.902 1.804 6.230 494 HD2 LYS 63 2HD LYS 63 -11.030 1.843 8.392 495 HD3 LYS 63 3HD LYS 63 -9.986 0.431 8.223 496 HE2 LYS 63 2HE LYS 63 -8.391 1.249 9.754 497 HE3 LYS 63 3HE LYS 63 -8.924 2.926 9.569 498 HZ1 LYS 63 1HZ LYS 63 -10.512 0.841 11.017 499 HZ2 LYS 63 2HZ LYS 63 -10.970 2.387 10.730 500 HZ3 LYS 63 3HZ LYS 63 -9.720 2.101 11.686 501 H PHE 64 H PHE 64 -5.802 -0.552 5.316 502 HA PHE 64 HA PHE 64 -7.926 -2.581 4.797 503 HB2 PHE 64 2HB PHE 64 -4.947 -2.697 4.559 504 HB3 PHE 64 3HB PHE 64 -5.928 -3.991 4.345 505 HD1 PHE 64 1HD PHE 64 -4.274 -1.492 2.623 506 HD2 PHE 64 2HD PHE 64 -8.116 -3.416 2.636 507 HE1 PHE 64 1HE PHE 64 -4.620 -0.796 0.282 508 HE2 PHE 64 2HE PHE 64 -8.485 -2.682 0.321 509 HZ PHE 64 HZ PHE 64 -6.694 -1.407 -0.908 510 H ALA 65 H ALA 65 -8.485 -4.010 6.413 511 HA ALA 65 HA ALA 65 -7.341 -3.903 9.079 512 HB1 ALA 65 1HB ALA 65 -9.750 -4.485 8.445 513 HB2 ALA 65 2HB ALA 65 -9.081 -6.058 7.839 514 HB3 ALA 65 3HB ALA 65 -8.935 -5.639 9.546 515 H THR 66 H THR 66 -5.784 -5.302 6.433 516 HA THR 66 HA THR 66 -4.230 -7.020 8.030 517 HB THR 66 HB THR 66 -4.639 -8.597 5.710 518 HG1 THR 66 1HG THR 66 -6.673 -9.526 6.347 519 HG21 THR 66 1HG2 THR 66 -5.115 -10.400 7.294 520 HG22 THR 66 2HG2 THR 66 -5.280 -9.221 8.602 521 HG23 THR 66 3HG2 THR 66 -3.700 -9.445 7.795 522 H VAL 67 H VAL 67 -2.509 -7.771 6.715 523 HA VAL 67 HA VAL 67 -1.799 -5.884 4.656 524 HB VAL 67 HB VAL 67 -0.493 -8.555 4.988 525 HG11 VAL 67 1HG1 VAL 67 0.453 -5.703 5.093 526 HG12 VAL 67 2HG1 VAL 67 1.427 -7.089 4.588 527 HG13 VAL 67 3HG1 VAL 67 0.075 -6.498 3.510 528 HG21 VAL 67 1HG2 VAL 67 1.037 -7.766 6.561 529 HG22 VAL 67 2HG2 VAL 67 0.037 -6.352 6.986 530 HG23 VAL 67 3HG2 VAL 67 -0.546 -8.022 7.355 531 H SER 68 H SER 68 -2.945 -9.285 4.790 532 HA SER 68 HA SER 68 -2.723 -10.014 2.096 533 HB2 SER 68 2HB SER 68 -4.473 -11.687 2.600 534 HB3 SER 68 3HB SER 68 -3.241 -11.606 3.882 535 HG SER 68 HG SER 68 -5.451 -11.696 4.628 536 H LYS 69 H LYS 69 -5.229 -7.961 3.585 537 HA LYS 69 HA LYS 69 -7.102 -8.003 1.474 538 HB2 LYS 69 2HB LYS 69 -6.420 -5.499 3.007 539 HB3 LYS 69 3HB LYS 69 -7.975 -6.031 2.348 540 HG2 LYS 69 2HG LYS 69 -7.391 -8.019 4.149 541 HG3 LYS 69 3HG LYS 69 -6.536 -6.647 4.865 542 HD2 LYS 69 2HD LYS 69 -8.396 -6.070 5.836 543 HD3 LYS 69 3HD LYS 69 -8.902 -5.490 4.249 544 HE2 LYS 69 2HE LYS 69 -9.480 -8.157 3.967 545 HE3 LYS 69 3HE LYS 69 -9.165 -8.241 5.654 546 HZ1 LYS 69 1HZ LYS 69 -11.461 -6.744 4.430 547 HZ2 LYS 69 2HZ LYS 69 -11.139 -6.761 6.038 548 HZ3 LYS 69 3HZ LYS 69 -11.527 -8.146 5.291 549 H ALA 70 H ALA 70 -4.382 -5.787 1.984 550 HA ALA 70 HA ALA 70 -4.615 -4.289 -0.383 551 HB1 ALA 70 1HB ALA 70 -2.200 -3.826 0.006 552 HB2 ALA 70 2HB ALA 70 -3.165 -3.699 1.501 553 HB3 ALA 70 3HB ALA 70 -2.133 -5.123 1.197 554 H ARG 71 H ARG 71 -3.414 -7.622 -0.017 555 HA ARG 71 HA ARG 71 -2.008 -7.674 -2.609 556 HB2 ARG 71 2HB ARG 71 -1.768 -9.338 -0.576 557 HB3 ARG 71 3HB ARG 71 -3.179 -10.121 -1.277 558 HG2 ARG 71 2HG ARG 71 -2.006 -10.869 -3.163 559 HG3 ARG 71 3HG ARG 71 -0.989 -9.450 -3.209 560 HD2 ARG 71 2HD ARG 71 0.606 -10.883 -2.646 561 HD3 ARG 71 3HD ARG 71 0.095 -10.413 -1.020 562 HE ARG 71 HE ARG 71 -1.484 -12.643 -1.644 563 HH11 ARG 71 1HH1 ARG 71 2.350 -13.968 -1.813 564 HH12 ARG 71 2HH1 ARG 71 2.114 -12.304 -2.152 565 HH21 ARG 71 1HH2 ARG 71 0.768 -15.327 -1.532 566 HH22 ARG 71 2HH2 ARG 71 -0.914 -14.904 -1.312 567 H ALA 72 H ALA 72 -5.230 -8.641 -1.436 568 HA ALA 72 HA ALA 72 -6.206 -9.341 -4.076 569 HB1 ALA 72 1HB ALA 72 -7.610 -8.802 -1.433 570 HB2 ALA 72 2HB ALA 72 -8.321 -9.592 -2.857 571 HB3 ALA 72 3HB ALA 72 -6.973 -10.365 -1.993 572 H TYR 73 H TYR 73 -5.787 -6.310 -2.416 573 HA TYR 73 HA TYR 73 -7.777 -4.769 -3.860 574 HB2 TYR 73 2HB TYR 73 -7.106 -4.033 -1.717 575 HB3 TYR 73 3HB TYR 73 -5.455 -3.775 -2.323 576 HD1 TYR 73 1HD TYR 73 -4.917 -1.960 -3.646 577 HD2 TYR 73 2HD TYR 73 -9.053 -2.808 -2.940 578 HE1 TYR 73 1HE TYR 73 -5.541 0.036 -4.997 579 HE2 TYR 73 2HE TYR 73 -9.698 -0.887 -4.385 580 HH TYR 73 HH TYR 73 -8.867 0.451 -6.108 581 H LEU 74 H LEU 74 -4.278 -5.238 -4.160 582 HA LEU 74 HA LEU 74 -3.869 -3.904 -6.537 583 HB2 LEU 74 2HB LEU 74 -2.612 -6.018 -4.874 584 HB3 LEU 74 3HB LEU 74 -2.241 -6.241 -6.530 585 HG LEU 74 HG LEU 74 -1.226 -4.065 -6.780 586 HD11 LEU 74 1HD1 LEU 74 -2.133 -3.447 -3.944 587 HD12 LEU 74 2HD1 LEU 74 -2.791 -2.665 -5.381 588 HD13 LEU 74 3HD1 LEU 74 -1.105 -2.414 -5.000 589 HD21 LEU 74 1HD2 LEU 74 0.525 -4.054 -5.077 590 HD22 LEU 74 2HD2 LEU 74 0.201 -5.731 -5.602 591 HD23 LEU 74 3HD2 LEU 74 -0.433 -5.120 -4.044 592 H GLU 75 H GLU 75 -5.552 -6.889 -6.234 593 HA GLU 75 HA GLU 75 -5.803 -7.001 -9.218 594 HB2 GLU 75 2HB GLU 75 -6.326 -9.432 -8.894 595 HB3 GLU 75 3HB GLU 75 -4.693 -8.915 -8.545 596 HG2 GLU 75 2HG GLU 75 -5.110 -8.929 -6.147 597 HG3 GLU 75 3HG GLU 75 -6.768 -9.381 -6.390 598 H THR 76 H THR 76 -7.435 -5.579 -6.939 599 HA THR 76 HA THR 76 -9.944 -5.867 -8.446 600 HB THR 76 HB THR 76 -9.853 -6.356 -5.466 601 HG1 THR 76 1HG THR 76 -9.626 -7.880 -7.450 602 HG21 THR 76 1HG2 THR 76 -11.715 -4.997 -5.701 603 HG22 THR 76 2HG2 THR 76 -12.412 -6.592 -6.001 604 HG23 THR 76 3HG2 THR 76 -12.043 -5.498 -7.371 605 H LYS 77 H LYS 77 -9.806 -4.026 -9.268 606 HA LYS 77 HA LYS 77 -10.149 -2.020 -9.769 607 HB2 LYS 77 2HB LYS 77 -12.189 -1.618 -9.493 608 HB3 LYS 77 3HB LYS 77 -11.901 -3.304 -9.401 609 HG2 LYS 77 2HG LYS 77 -12.146 -3.049 -6.806 610 HG3 LYS 77 3HG LYS 77 -12.828 -1.435 -7.143 611 HD2 LYS 77 2HD LYS 77 -14.613 -2.356 -8.451 612 HD3 LYS 77 3HD LYS 77 -13.670 -3.815 -8.731 613 HE2 LYS 77 2HE LYS 77 -15.197 -4.653 -7.283 614 HE3 LYS 77 3HE LYS 77 -13.927 -4.257 -6.185 615 HZ1 LYS 77 1HZ LYS 77 -16.109 -3.553 -5.417 616 HZ2 LYS 77 2HZ LYS 77 -16.299 -2.554 -6.651 617 HZ3 LYS 77 3HZ LYS 77 -15.141 -2.257 -5.540 Start of MODEL 18 1 H2 SER 1 2H SER 1 6.036 -9.944 17.766 2 H3 SER 1 3H SER 1 4.556 -9.361 17.363 3 HA SER 1 HA SER 1 7.120 -8.770 16.051 4 HB2 SER 1 2HB SER 1 6.113 -9.942 14.132 5 HB3 SER 1 3HB SER 1 6.134 -10.999 15.553 6 HG SER 1 HG SER 1 4.091 -11.032 14.608 7 H HIS 2 H HIS 2 6.238 -7.924 13.623 8 HA HIS 2 HA HIS 2 4.345 -5.799 13.593 9 HB2 HIS 2 2HB HIS 2 5.922 -3.881 13.749 10 HB3 HIS 2 3HB HIS 2 5.617 -4.675 15.282 11 HD1 HIS 2 1HD HIS 2 8.003 -2.927 15.398 12 HD2 HIS 2 2HD HIS 2 8.235 -6.891 14.000 13 HE1 HIS 2 1HE HIS 2 10.425 -3.659 15.651 14 H MET 3 H MET 3 7.601 -5.259 12.423 15 HA MET 3 HA MET 3 7.138 -5.195 9.626 16 HB2 MET 3 2HB MET 3 9.638 -5.477 11.342 17 HB3 MET 3 3HB MET 3 9.674 -5.250 9.589 18 HG2 MET 3 2HG MET 3 8.337 -3.290 11.476 19 HG3 MET 3 3HG MET 3 9.966 -3.156 10.863 20 HE1 MET 3 1HE MET 3 6.347 -1.486 8.901 21 HE2 MET 3 2HE MET 3 6.164 -2.830 10.042 22 HE3 MET 3 3HE MET 3 7.005 -1.342 10.547 23 H THR 4 H THR 4 6.106 -7.739 10.685 24 HA THR 4 HA THR 4 7.748 -9.697 9.174 25 HB THR 4 HB THR 4 5.399 -10.220 10.954 26 HG1 THR 4 1HG THR 4 7.882 -10.892 11.862 27 HG21 THR 4 1HG2 THR 4 6.352 -12.514 11.073 28 HG22 THR 4 2HG2 THR 4 7.613 -12.022 9.915 29 HG23 THR 4 3HG2 THR 4 5.908 -12.054 9.419 30 H ALA 5 H ALA 5 4.269 -9.039 9.623 31 HA ALA 5 HA ALA 5 3.559 -10.460 7.279 32 HB1 ALA 5 1HB ALA 5 1.340 -9.622 7.859 33 HB2 ALA 5 2HB ALA 5 2.182 -9.983 9.360 34 HB3 ALA 5 3HB ALA 5 2.049 -8.280 8.813 35 H VAL 6 H VAL 6 3.656 -7.095 7.976 36 HA VAL 6 HA VAL 6 2.904 -5.832 5.565 37 HB VAL 6 HB VAL 6 4.614 -4.992 7.897 38 HG11 VAL 6 1HG1 VAL 6 4.203 -2.640 7.152 39 HG12 VAL 6 2HG1 VAL 6 5.202 -3.529 5.999 40 HG13 VAL 6 3HG1 VAL 6 3.475 -3.263 5.654 41 HG21 VAL 6 1HG2 VAL 6 2.268 -5.462 8.470 42 HG22 VAL 6 2HG2 VAL 6 2.598 -3.728 8.589 43 HG23 VAL 6 3HG2 VAL 6 1.715 -4.363 7.185 44 H GLN 7 H GLN 7 6.038 -6.990 6.739 45 HA GLN 7 HA GLN 7 7.613 -5.775 4.666 46 HB2 GLN 7 2HB GLN 7 8.247 -6.360 7.061 47 HB3 GLN 7 3HB GLN 7 8.131 -8.067 6.665 48 HG2 GLN 7 2HG GLN 7 10.443 -7.363 6.761 49 HG3 GLN 7 3HG GLN 7 10.018 -7.874 5.121 50 HE21 GLN 7 1HE2 GLN 7 8.838 -4.685 6.182 51 HE22 GLN 7 2HE2 GLN 7 9.592 -4.070 4.761 52 H ASP 8 H ASP 8 6.882 -9.061 5.388 53 HA ASP 8 HA ASP 8 7.635 -10.511 3.085 54 HB2 ASP 8 2HB ASP 8 6.841 -11.564 5.088 55 HB3 ASP 8 3HB ASP 8 5.294 -10.694 5.062 56 H PHE 9 H PHE 9 4.358 -9.088 3.622 57 HA PHE 9 HA PHE 9 3.401 -9.349 1.012 58 HB2 PHE 9 2HB PHE 9 1.952 -8.654 2.990 59 HB3 PHE 9 3HB PHE 9 2.914 -7.184 3.062 60 HD1 PHE 9 1HD PHE 9 2.248 -5.261 1.995 61 HD2 PHE 9 2HD PHE 9 1.025 -9.046 0.395 62 HE1 PHE 9 1HE PHE 9 1.129 -4.110 0.144 63 HE2 PHE 9 2HE PHE 9 -0.066 -7.864 -1.506 64 HZ PHE 9 HZ PHE 9 -0.141 -5.393 -1.570 65 H VAL 10 H VAL 10 5.087 -6.517 2.421 66 HA VAL 10 HA VAL 10 4.982 -4.804 0.196 67 HB VAL 10 HB VAL 10 6.993 -5.056 2.407 68 HG11 VAL 10 1HG1 VAL 10 8.029 -2.892 1.686 69 HG12 VAL 10 2HG1 VAL 10 8.405 -4.251 0.622 70 HG13 VAL 10 3HG1 VAL 10 7.189 -3.049 0.122 71 HG21 VAL 10 1HG2 VAL 10 4.570 -3.892 2.484 72 HG22 VAL 10 2HG2 VAL 10 5.970 -3.165 3.308 73 HG23 VAL 10 3HG2 VAL 10 5.439 -2.549 1.743 74 H VAL 11 H VAL 11 7.562 -7.307 0.775 75 HA VAL 11 HA VAL 11 8.878 -6.578 -1.667 76 HB VAL 11 HB VAL 11 9.835 -9.155 -1.234 77 HG11 VAL 11 1HG1 VAL 11 10.881 -6.430 -0.290 78 HG12 VAL 11 2HG1 VAL 11 11.858 -7.903 -0.496 79 HG13 VAL 11 3HG1 VAL 11 11.108 -7.133 -1.900 80 HG21 VAL 11 1HG2 VAL 11 10.516 -9.115 1.116 81 HG22 VAL 11 2HG2 VAL 11 9.627 -7.595 1.350 82 HG23 VAL 11 3HG2 VAL 11 8.745 -9.120 1.021 83 H ASP 12 H ASP 12 6.124 -8.423 -1.393 84 HA ASP 12 HA ASP 12 6.181 -9.964 -3.827 85 HB2 ASP 12 2HB ASP 12 4.534 -9.738 -1.687 86 HB3 ASP 12 3HB ASP 12 3.682 -8.641 -2.770 87 H ILE 13 H ILE 13 5.494 -6.611 -3.101 88 HA ILE 13 HA ILE 13 5.109 -5.539 -5.940 89 HB ILE 13 HB ILE 13 5.396 -4.188 -3.279 90 HG12 ILE 13 2HG1 ILE 13 3.062 -3.565 -3.631 91 HG13 ILE 13 3HG1 ILE 13 2.957 -4.686 -5.006 92 HG21 ILE 13 1HG2 ILE 13 6.225 -2.821 -5.124 93 HG22 ILE 13 2HG2 ILE 13 4.826 -3.239 -6.114 94 HG23 ILE 13 3HG2 ILE 13 4.648 -2.241 -4.663 95 HD11 ILE 13 1HD1 ILE 13 2.992 -6.559 -3.494 96 HD12 ILE 13 2HD1 ILE 13 3.556 -5.530 -2.142 97 HD13 ILE 13 3HD1 ILE 13 1.921 -5.362 -2.785 98 H LEU 14 H LEU 14 7.507 -5.550 -3.158 99 HA LEU 14 HA LEU 14 8.737 -3.375 -4.351 100 HB2 LEU 14 2HB LEU 14 8.833 -4.520 -1.792 101 HB3 LEU 14 3HB LEU 14 10.402 -4.864 -2.374 102 HG LEU 14 HG LEU 14 9.131 -2.145 -1.983 103 HD11 LEU 14 1HD1 LEU 14 10.274 -3.246 -0.043 104 HD12 LEU 14 2HD1 LEU 14 11.091 -1.758 -0.545 105 HD13 LEU 14 3HD1 LEU 14 11.770 -3.343 -0.991 106 HD21 LEU 14 1HD2 LEU 14 11.227 -1.128 -2.882 107 HD22 LEU 14 2HD2 LEU 14 10.269 -1.931 -4.125 108 HD23 LEU 14 3HD2 LEU 14 11.721 -2.729 -3.489 109 H LEU 15 H LEU 15 10.153 -6.639 -3.881 110 HA LEU 15 HA LEU 15 12.186 -6.029 -5.958 111 HB2 LEU 15 2HB LEU 15 11.871 -8.141 -3.824 112 HB3 LEU 15 3HB LEU 15 12.852 -8.517 -5.213 113 HG LEU 15 HG LEU 15 14.158 -7.712 -3.240 114 HD11 LEU 15 1HD1 LEU 15 14.499 -6.153 -5.841 115 HD12 LEU 15 2HD1 LEU 15 15.067 -7.808 -5.529 116 HD13 LEU 15 3HD1 LEU 15 15.750 -6.453 -4.619 117 HD21 LEU 15 1HD2 LEU 15 12.772 -5.774 -2.514 118 HD22 LEU 15 2HD2 LEU 15 13.173 -4.925 -4.021 119 HD23 LEU 15 3HD2 LEU 15 14.444 -5.317 -2.850 120 H ASN 16 H ASN 16 9.534 -8.299 -5.211 121 HA ASN 16 HA ASN 16 9.950 -9.853 -7.571 122 HB2 ASN 16 2HB ASN 16 7.628 -9.590 -5.623 123 HB3 ASN 16 3HB ASN 16 7.605 -10.724 -6.973 124 HD21 ASN 16 1HD2 ASN 16 8.130 -10.739 -3.752 125 HD22 ASN 16 2HD2 ASN 16 9.295 -12.068 -3.700 126 H GLY 17 H GLY 17 8.020 -6.954 -6.935 127 HA2 GLY 17 2HA GLY 17 6.973 -5.557 -8.436 128 HA3 GLY 17 3HA GLY 17 7.155 -6.701 -9.737 129 H ALA 18 H ALA 18 4.997 -5.098 -8.764 130 HA ALA 18 HA ALA 18 2.998 -6.565 -7.386 131 HB1 ALA 18 1HB ALA 18 3.271 -4.094 -7.437 132 HB2 ALA 18 2HB ALA 18 2.829 -4.093 -9.158 133 HB3 ALA 18 3HB ALA 18 1.640 -4.561 -7.911 134 H ARG 19 H ARG 19 0.717 -6.291 -8.455 135 HA ARG 19 HA ARG 19 0.136 -7.985 -10.754 136 HB2 ARG 19 2HB ARG 19 -1.635 -5.895 -9.538 137 HB3 ARG 19 3HB ARG 19 -2.123 -7.304 -10.445 138 HG2 ARG 19 2HG ARG 19 -1.174 -7.044 -7.648 139 HG3 ARG 19 3HG ARG 19 -2.694 -7.644 -8.197 140 HD2 ARG 19 2HD ARG 19 -1.844 -9.578 -7.436 141 HD3 ARG 19 3HD ARG 19 -1.278 -9.651 -9.097 142 HE ARG 19 HE ARG 19 0.380 -8.822 -6.737 143 HH11 ARG 19 1HH1 ARG 19 1.933 -10.840 -9.807 144 HH12 ARG 19 2HH1 ARG 19 0.193 -10.727 -9.676 145 HH21 ARG 19 1HH2 ARG 19 3.299 -9.776 -8.364 146 HH22 ARG 19 2HH2 ARG 19 2.677 -9.142 -6.883 147 H ASP 20 H ASP 20 -1.683 -6.026 -11.793 148 HA ASP 20 HA ASP 20 -0.506 -4.893 -14.057 149 HB2 ASP 20 2HB ASP 20 -2.915 -5.270 -13.445 150 HB3 ASP 20 3HB ASP 20 -2.862 -3.847 -12.435 151 H TRP 21 H TRP 21 0.454 -3.779 -10.972 152 HA TRP 21 HA TRP 21 0.339 -0.945 -11.531 153 HB2 TRP 21 2HB TRP 21 1.438 -2.349 -9.033 154 HB3 TRP 21 3HB TRP 21 1.105 -0.680 -9.246 155 HD1 TRP 21 1HD TRP 21 -1.654 -3.142 -10.345 156 HE1 TRP 21 1HE TRP 21 -3.610 -2.929 -8.824 157 HE3 TRP 21 3HE TRP 21 0.302 0.251 -7.153 158 HZ2 TRP 21 2HZ TRP 21 -4.546 -0.810 -7.028 159 HZ3 TRP 21 3HZ TRP 21 -1.241 1.623 -5.739 160 HH2 TRP 21 2HH TRP 21 -3.651 1.065 -5.670 161 H ASP 22 H ASP 22 1.984 0.387 -10.916 162 HA ASP 22 HA ASP 22 4.699 -0.073 -11.991 163 HB2 ASP 22 2HB ASP 22 3.860 1.874 -12.978 164 HB3 ASP 22 3HB ASP 22 2.902 2.328 -11.588 165 H VAL 23 H VAL 23 6.302 0.860 -10.350 166 HA VAL 23 HA VAL 23 5.745 -0.292 -7.724 167 HB VAL 23 HB VAL 23 8.081 -1.213 -9.504 168 HG11 VAL 23 1HG1 VAL 23 8.948 -0.737 -7.257 169 HG12 VAL 23 2HG1 VAL 23 7.614 -1.639 -6.516 170 HG13 VAL 23 3HG1 VAL 23 8.846 -2.487 -7.473 171 HG21 VAL 23 1HG2 VAL 23 7.289 -3.482 -9.082 172 HG22 VAL 23 2HG2 VAL 23 5.936 -2.863 -8.112 173 HG23 VAL 23 3HG2 VAL 23 6.017 -2.532 -9.855 174 H LEU 24 H LEU 24 5.858 1.425 -6.785 175 HA LEU 24 HA LEU 24 7.994 3.412 -7.558 176 HB2 LEU 24 2HB LEU 24 5.190 3.788 -7.472 177 HB3 LEU 24 3HB LEU 24 5.846 4.589 -6.173 178 HG LEU 24 HG LEU 24 7.018 4.791 -9.008 179 HD11 LEU 24 1HD1 LEU 24 4.783 5.521 -8.927 180 HD12 LEU 24 2HD1 LEU 24 5.862 6.914 -9.149 181 HD13 LEU 24 3HD1 LEU 24 5.135 6.598 -7.547 182 HD21 LEU 24 1HD2 LEU 24 8.735 5.540 -7.442 183 HD22 LEU 24 2HD2 LEU 24 7.555 6.533 -6.560 184 HD23 LEU 24 3HD2 LEU 24 8.037 6.954 -8.211 185 H GLN 25 H GLN 25 9.144 4.401 -6.046 186 HA GLN 25 HA GLN 25 8.259 4.024 -3.250 187 HB2 GLN 25 2HB GLN 25 11.107 3.871 -4.295 188 HB3 GLN 25 3HB GLN 25 10.705 4.326 -2.629 189 HG2 GLN 25 2HG GLN 25 10.747 2.133 -2.346 190 HG3 GLN 25 3HG GLN 25 9.087 2.212 -2.700 191 HE21 GLN 25 1HE2 GLN 25 8.292 0.820 -4.378 192 HE22 GLN 25 2HE2 GLN 25 9.423 -0.207 -5.230 193 H THR 26 H THR 26 7.055 5.542 -3.343 194 HA THR 26 HA THR 26 8.337 8.161 -2.801 195 HB THR 26 HB THR 26 7.430 8.412 -4.990 196 HG1 THR 26 1HG THR 26 6.270 10.220 -4.537 197 HG21 THR 26 1HG2 THR 26 5.571 6.697 -4.974 198 HG22 THR 26 2HG2 THR 26 5.129 8.286 -5.586 199 HG23 THR 26 3HG2 THR 26 4.636 7.833 -3.955 200 H THR 27 H THR 27 6.192 9.510 -1.617 201 HA THR 27 HA THR 27 5.070 7.774 0.438 202 HB THR 27 HB THR 27 5.549 9.454 2.197 203 HG1 THR 27 1HG THR 27 7.314 10.854 1.822 204 HG21 THR 27 1HG2 THR 27 8.067 8.148 1.026 205 HG22 THR 27 2HG2 THR 27 6.899 7.371 2.122 206 HG23 THR 27 3HG2 THR 27 7.847 8.737 2.705 207 H CYS 28 H CYS 28 3.204 8.662 1.177 208 HA CYS 28 HA CYS 28 2.046 10.944 -0.301 209 HB2 CYS 28 2HB CYS 28 0.923 9.116 -1.072 210 HB3 CYS 28 3HB CYS 28 1.156 8.207 0.474 211 HG CYS 28 HG CYS 28 -1.072 10.408 -0.621 212 H THR 29 H THR 29 0.433 12.100 0.995 213 HA THR 29 HA THR 29 0.618 11.700 3.862 214 HB THR 29 HB THR 29 1.089 14.468 2.605 215 HG1 THR 29 1HG THR 29 2.841 12.990 2.506 216 HG21 THR 29 1HG2 THR 29 -0.027 14.805 4.708 217 HG22 THR 29 2HG2 THR 29 1.697 15.148 4.969 218 HG23 THR 29 3HG2 THR 29 0.993 13.609 5.531 219 H VAL 30 H VAL 30 -1.219 11.553 4.627 220 HA VAL 30 HA VAL 30 -3.501 13.193 3.647 221 HB VAL 30 HB VAL 30 -3.367 10.251 2.919 222 HG11 VAL 30 1HG1 VAL 30 -5.603 10.541 3.872 223 HG12 VAL 30 2HG1 VAL 30 -5.868 12.000 2.888 224 HG13 VAL 30 3HG1 VAL 30 -5.718 10.394 2.138 225 HG21 VAL 30 1HG2 VAL 30 -4.166 11.163 0.668 226 HG22 VAL 30 2HG2 VAL 30 -3.958 12.792 1.313 227 HG23 VAL 30 3HG2 VAL 30 -2.561 11.719 1.123 228 H ASP 31 H ASP 31 -5.362 13.059 4.921 229 HA ASP 31 HA ASP 31 -6.534 12.926 6.829 230 HB2 ASP 31 2HB ASP 31 -5.681 10.278 6.203 231 HB3 ASP 31 3HB ASP 31 -5.591 10.386 7.954 232 H ARG 32 H ARG 32 -3.943 13.996 6.764 233 HA ARG 32 HA ARG 32 -2.429 15.140 8.044 234 HB2 ARG 32 2HB ARG 32 -4.375 14.570 10.338 235 HB3 ARG 32 3HB ARG 32 -3.045 15.724 10.395 236 HG2 ARG 32 2HG ARG 32 -4.004 17.150 8.772 237 HG3 ARG 32 3HG ARG 32 -5.177 15.963 8.229 238 HD2 ARG 32 2HD ARG 32 -5.237 17.113 11.029 239 HD3 ARG 32 3HD ARG 32 -6.044 17.870 9.654 240 HE ARG 32 HE ARG 32 -7.296 15.691 9.335 241 HH11 ARG 32 1HH1 ARG 32 -7.597 15.849 13.327 242 HH12 ARG 32 2HH1 ARG 32 -6.204 16.586 12.587 243 HH21 ARG 32 1HH2 ARG 32 -9.045 14.694 12.170 244 HH22 ARG 32 2HH2 ARG 32 -9.168 14.857 10.438 245 H LYS 33 H LYS 33 -2.142 12.306 7.484 246 HA LYS 33 HA LYS 33 -0.019 11.538 9.414 247 HB2 LYS 33 2HB LYS 33 -1.905 10.083 10.029 248 HB3 LYS 33 3HB LYS 33 -2.355 9.914 8.348 249 HG2 LYS 33 2HG LYS 33 -1.624 7.917 9.025 250 HG3 LYS 33 3HG LYS 33 -0.305 8.471 8.022 251 HD2 LYS 33 2HD LYS 33 1.172 8.585 9.897 252 HD3 LYS 33 3HD LYS 33 -0.174 8.824 11.054 253 HE2 LYS 33 2HE LYS 33 -1.054 6.612 10.437 254 HE3 LYS 33 3HE LYS 33 0.374 6.269 9.434 255 HZ1 LYS 33 1HZ LYS 33 0.342 6.469 12.374 256 HZ2 LYS 33 2HZ LYS 33 1.719 6.516 11.468 257 HZ3 LYS 33 3HZ LYS 33 0.682 5.205 11.385 258 H VAL 34 H VAL 34 1.571 10.096 8.160 259 HA VAL 34 HA VAL 34 1.592 10.611 5.203 260 HB VAL 34 HB VAL 34 3.813 10.293 7.091 261 HG11 VAL 34 1HG1 VAL 34 5.430 10.873 5.303 262 HG12 VAL 34 2HG1 VAL 34 4.485 9.477 4.825 263 HG13 VAL 34 3HG1 VAL 34 4.101 11.075 4.148 264 HG21 VAL 34 1HG2 VAL 34 4.555 12.596 6.802 265 HG22 VAL 34 2HG2 VAL 34 3.155 12.914 5.773 266 HG23 VAL 34 3HG2 VAL 34 2.936 12.520 7.485 267 H TYR 35 H TYR 35 2.103 8.842 3.993 268 HA TYR 35 HA TYR 35 2.598 6.225 5.357 269 HB2 TYR 35 2HB TYR 35 0.720 6.646 2.981 270 HB3 TYR 35 3HB TYR 35 1.052 5.167 3.881 271 HD1 TYR 35 1HD TYR 35 -0.770 8.320 3.868 272 HD2 TYR 35 2HD TYR 35 0.224 4.762 6.116 273 HE1 TYR 35 1HE TYR 35 -2.674 8.806 5.393 274 HE2 TYR 35 2HE TYR 35 -1.752 5.186 7.601 275 HH TYR 35 HH TYR 35 -3.564 6.485 8.014 276 H LYS 36 H LYS 36 3.790 4.786 4.048 277 HA LYS 36 HA LYS 36 5.258 6.148 1.851 278 HB2 LYS 36 2HB LYS 36 6.127 3.608 3.014 279 HB3 LYS 36 3HB LYS 36 7.046 4.884 2.314 280 HG2 LYS 36 2HG LYS 36 6.973 6.206 4.351 281 HG3 LYS 36 3HG LYS 36 5.810 5.099 5.082 282 HD2 LYS 36 2HD LYS 36 7.877 4.539 6.062 283 HD3 LYS 36 3HD LYS 36 7.453 3.248 4.956 284 HE2 LYS 36 2HE LYS 36 9.553 3.411 4.168 285 HE3 LYS 36 3HE LYS 36 9.033 4.863 3.317 286 HZ1 LYS 36 1HZ LYS 36 9.849 6.161 5.210 287 HZ2 LYS 36 2HZ LYS 36 11.056 5.142 4.745 288 HZ3 LYS 36 3HZ LYS 36 10.183 4.785 6.052 289 H THR 37 H THR 37 5.207 5.435 -0.236 290 HA THR 37 HA THR 37 3.130 3.452 -0.713 291 HB THR 37 HB THR 37 2.120 4.669 -2.037 292 HG1 THR 37 1HG THR 37 4.457 4.560 -3.554 293 HG21 THR 37 1HG2 THR 37 4.275 6.782 -2.075 294 HG22 THR 37 2HG2 THR 37 2.943 6.689 -0.906 295 HG23 THR 37 3HG2 THR 37 2.614 6.959 -2.611 296 H ILE 38 H ILE 38 3.428 1.741 -1.905 297 HA ILE 38 HA ILE 38 6.223 0.884 -2.487 298 HB ILE 38 HB ILE 38 3.829 -0.971 -2.931 299 HG12 ILE 38 2HG1 ILE 38 4.736 -0.115 -0.090 300 HG13 ILE 38 3HG1 ILE 38 3.134 0.065 -0.778 301 HG21 ILE 38 1HG2 ILE 38 5.621 -2.548 -1.959 302 HG22 ILE 38 2HG2 ILE 38 6.417 -1.513 -3.133 303 HG23 ILE 38 3HG2 ILE 38 6.577 -1.175 -1.419 304 HD11 ILE 38 1HD1 ILE 38 3.120 -1.837 0.705 305 HD12 ILE 38 2HD1 ILE 38 2.815 -2.353 -0.967 306 HD13 ILE 38 3HD1 ILE 38 4.393 -2.636 -0.217 307 H CYS 39 H CYS 39 3.095 1.281 -3.973 308 HA CYS 39 HA CYS 39 4.153 0.987 -6.676 309 HB2 CYS 39 2HB CYS 39 2.299 -0.839 -6.998 310 HB3 CYS 39 3HB CYS 39 3.654 -1.175 -6.736 311 HG CYS 39 HG CYS 39 1.020 -0.552 -4.750 312 H LYS 40 H LYS 40 3.025 1.929 -8.130 313 HA LYS 40 HA LYS 40 0.571 3.184 -7.308 314 HB2 LYS 40 2HB LYS 40 2.626 4.668 -7.618 315 HB3 LYS 40 3HB LYS 40 2.739 4.114 -9.260 316 HG2 LYS 40 2HG LYS 40 0.199 5.150 -9.342 317 HG3 LYS 40 3HG LYS 40 0.865 5.939 -7.934 318 HD2 LYS 40 2HD LYS 40 1.289 7.382 -9.882 319 HD3 LYS 40 3HD LYS 40 2.835 6.655 -9.408 320 HE2 LYS 40 2HE LYS 40 2.066 4.724 -11.095 321 HE3 LYS 40 3HE LYS 40 1.007 5.986 -11.721 322 HZ1 LYS 40 1HZ LYS 40 3.964 5.847 -11.571 323 HZ2 LYS 40 2HZ LYS 40 3.237 7.315 -11.905 324 HZ3 LYS 40 3HZ LYS 40 3.142 6.030 -12.927 325 H ARG 41 H ARG 41 -1.159 3.271 -8.572 326 HA ARG 41 HA ARG 41 -0.955 2.494 -11.373 327 HB2 ARG 41 2HB ARG 41 -1.210 0.303 -10.536 328 HB3 ARG 41 3HB ARG 41 -2.359 0.832 -9.300 329 HG2 ARG 41 2HG ARG 41 -3.338 1.414 -12.006 330 HG3 ARG 41 3HG ARG 41 -2.952 -0.265 -11.824 331 HD2 ARG 41 2HD ARG 41 -4.309 -0.340 -9.659 332 HD3 ARG 41 3HD ARG 41 -4.594 1.318 -9.813 333 HE ARG 41 HE ARG 41 -6.552 0.267 -10.584 334 HH11 ARG 41 1HH1 ARG 41 -5.341 -0.495 -14.285 335 HH12 ARG 41 2HH1 ARG 41 -4.086 -0.404 -13.093 336 HH21 ARG 41 1HH2 ARG 41 -7.509 -0.316 -13.693 337 HH22 ARG 41 2HH2 ARG 41 -7.925 -0.023 -12.005 338 H GLY 42 H GLY 42 -1.982 3.987 -12.225 339 HA2 GLY 42 2HA GLY 42 -3.891 5.147 -12.950 340 HA3 GLY 42 3HA GLY 42 -4.790 4.612 -11.527 341 H ASN 43 H ASN 43 -5.385 6.266 -10.354 342 HA ASN 43 HA ASN 43 -3.519 8.462 -9.631 343 HB2 ASN 43 2HB ASN 43 -5.451 9.438 -8.514 344 HB3 ASN 43 3HB ASN 43 -5.750 9.078 -10.206 345 HD21 ASN 43 1HD2 ASN 43 -6.136 6.162 -8.084 346 HD22 ASN 43 2HD2 ASN 43 -7.857 6.344 -8.087 347 H THR 44 H THR 44 -3.696 5.380 -8.824 348 HA THR 44 HA THR 44 -4.149 5.632 -5.866 349 HB THR 44 HB THR 44 -4.097 3.037 -7.370 350 HG1 THR 44 1HG THR 44 -6.369 3.328 -7.585 351 HG21 THR 44 1HG2 THR 44 -5.817 3.885 -5.035 352 HG22 THR 44 2HG2 THR 44 -4.274 3.026 -4.876 353 HG23 THR 44 3HG2 THR 44 -5.609 2.256 -5.763 354 H TYR 45 H TYR 45 -2.698 4.405 -4.400 355 HA TYR 45 HA TYR 45 0.041 4.017 -5.130 356 HB2 TYR 45 2HB TYR 45 -0.895 6.390 -3.442 357 HB3 TYR 45 3HB TYR 45 0.710 5.678 -3.372 358 HD1 TYR 45 1HD TYR 45 2.406 6.374 -4.868 359 HD2 TYR 45 2HD TYR 45 -1.703 7.207 -5.709 360 HE1 TYR 45 1HE TYR 45 3.168 7.912 -6.592 361 HE2 TYR 45 2HE TYR 45 -0.963 8.837 -7.509 362 HH TYR 45 HH TYR 45 2.452 9.697 -8.033 363 H LEU 46 H LEU 46 0.195 2.232 -3.973 364 HA LEU 46 HA LEU 46 -1.646 1.751 -1.680 365 HB2 LEU 46 2HB LEU 46 -0.470 0.171 -3.814 366 HB3 LEU 46 3HB LEU 46 0.354 -0.160 -2.453 367 HG LEU 46 HG LEU 46 -1.336 -1.785 -2.632 368 HD11 LEU 46 1HD1 LEU 46 -1.281 -1.318 -0.284 369 HD12 LEU 46 2HD1 LEU 46 -2.926 -1.713 -0.819 370 HD13 LEU 46 3HD1 LEU 46 -2.487 -0.013 -0.444 371 HD21 LEU 46 1HD2 LEU 46 -3.786 -1.122 -2.701 372 HD22 LEU 46 2HD2 LEU 46 -2.866 -0.543 -4.065 373 HD23 LEU 46 3HD2 LEU 46 -3.302 0.555 -2.689 374 H CYS 47 H CYS 47 -0.920 2.174 0.316 375 HA CYS 47 HA CYS 47 2.012 2.415 0.748 376 HB2 CYS 47 2HB CYS 47 -0.086 4.178 2.106 377 HB3 CYS 47 3HB CYS 47 1.620 4.423 2.011 378 HG CYS 47 HG CYS 47 -0.017 6.158 0.587 379 H PHE 48 H PHE 48 2.508 2.588 3.158 380 HA PHE 48 HA PHE 48 0.740 0.814 4.778 381 HB2 PHE 48 2HB PHE 48 2.490 -0.702 5.279 382 HB3 PHE 48 3HB PHE 48 2.474 -0.503 3.482 383 HD1 PHE 48 1HD PHE 48 4.238 0.563 2.283 384 HD2 PHE 48 2HD PHE 48 4.420 0.047 6.524 385 HE1 PHE 48 1HE PHE 48 6.691 0.734 2.199 386 HE2 PHE 48 2HE PHE 48 6.812 0.230 6.487 387 HZ PHE 48 HZ PHE 48 8.066 0.454 4.306 388 H ASP 49 H ASP 49 1.130 0.731 6.941 389 HA ASP 49 HA ASP 49 2.860 2.751 8.297 390 HB2 ASP 49 2HB ASP 49 0.404 1.306 9.335 391 HB3 ASP 49 3HB ASP 49 1.469 2.175 10.364 392 H ASP 50 H ASP 50 3.121 1.539 10.592 393 HA ASP 50 HA ASP 50 4.407 -0.923 9.988 394 HB2 ASP 50 2HB ASP 50 3.857 0.070 12.827 395 HB3 ASP 50 3HB ASP 50 5.180 -0.972 12.353 396 H THR 51 H THR 51 1.274 -0.366 10.586 397 HA THR 51 HA THR 51 0.651 -2.814 12.178 398 HB THR 51 HB THR 51 -1.620 -1.763 12.246 399 HG1 THR 51 1HG THR 51 -1.983 -0.317 10.821 400 HG21 THR 51 1HG2 THR 51 0.538 0.194 13.042 401 HG22 THR 51 2HG2 THR 51 -0.018 -1.170 14.032 402 HG23 THR 51 3HG2 THR 51 -1.140 0.161 13.613 403 H ASN 52 H ASN 52 0.461 -1.698 8.783 404 HA ASN 52 HA ASN 52 -1.060 -3.460 7.563 405 HB2 ASN 52 2HB ASN 52 -3.238 -2.443 7.409 406 HB3 ASN 52 3HB ASN 52 -3.027 -3.502 9.012 407 HD21 ASN 52 1HD2 ASN 52 -3.298 -0.153 7.652 408 HD22 ASN 52 2HD2 ASN 52 -3.684 0.659 9.150 409 H LEU 53 H LEU 53 -2.571 -2.323 5.901 410 HA LEU 53 HA LEU 53 -0.880 -0.176 4.634 411 HB2 LEU 53 2HB LEU 53 -2.136 -2.764 3.597 412 HB3 LEU 53 3HB LEU 53 -1.849 -1.427 2.517 413 HG LEU 53 HG LEU 53 0.540 -1.301 3.539 414 HD11 LEU 53 1HD1 LEU 53 0.603 -2.873 5.322 415 HD12 LEU 53 2HD1 LEU 53 1.261 -3.787 3.979 416 HD13 LEU 53 3HD1 LEU 53 -0.460 -3.988 4.399 417 HD21 LEU 53 1HD2 LEU 53 0.052 -2.009 1.249 418 HD22 LEU 53 2HD2 LEU 53 -0.188 -3.670 1.915 419 HD23 LEU 53 3HD2 LEU 53 1.398 -2.890 1.993 420 H TYR 54 H TYR 54 -2.042 0.843 2.712 421 HA TYR 54 HA TYR 54 -4.756 1.457 3.188 422 HB2 TYR 54 2HB TYR 54 -2.907 3.840 3.364 423 HB3 TYR 54 3HB TYR 54 -4.646 3.702 3.638 424 HD1 TYR 54 1HD TYR 54 -5.418 3.908 5.829 425 HD2 TYR 54 2HD TYR 54 -1.444 2.338 5.149 426 HE1 TYR 54 1HE TYR 54 -5.131 3.728 8.159 427 HE2 TYR 54 2HE TYR 54 -1.270 1.871 7.569 428 HH TYR 54 HH TYR 54 -2.093 2.627 9.736 429 H ALA 55 H ALA 55 -5.681 2.029 1.073 430 HA ALA 55 HA ALA 55 -3.687 2.639 -0.983 431 HB1 ALA 55 1HB ALA 55 -5.354 0.757 -1.556 432 HB2 ALA 55 2HB ALA 55 -6.712 1.947 -1.204 433 HB3 ALA 55 3HB ALA 55 -5.591 2.186 -2.495 434 H ILE 56 H ILE 56 -3.310 4.720 -1.453 435 HA ILE 56 HA ILE 56 -5.404 6.527 -0.594 436 HB ILE 56 HB ILE 56 -2.520 7.026 -1.087 437 HG12 ILE 56 2HG1 ILE 56 -3.196 8.290 1.289 438 HG13 ILE 56 3HG1 ILE 56 -4.484 7.202 1.298 439 HG21 ILE 56 1HG2 ILE 56 -4.996 9.034 -0.723 440 HG22 ILE 56 2HG2 ILE 56 -3.297 9.542 -0.665 441 HG23 ILE 56 3HG2 ILE 56 -3.877 8.940 -2.134 442 HD11 ILE 56 1HD1 ILE 56 -2.771 5.329 1.183 443 HD12 ILE 56 2HD1 ILE 56 -1.499 6.581 1.321 444 HD13 ILE 56 3HD1 ILE 56 -2.699 6.345 2.619 445 H THR 57 H THR 57 -6.914 6.625 -1.992 446 HA THR 57 HA THR 57 -6.389 6.579 -4.903 447 HB THR 57 HB THR 57 -9.148 6.785 -3.807 448 HG1 THR 57 1HG THR 57 -9.211 4.759 -3.135 449 HG21 THR 57 1HG2 THR 57 -8.757 6.625 -6.202 450 HG22 THR 57 2HG2 THR 57 -9.613 5.186 -5.582 451 HG23 THR 57 3HG2 THR 57 -7.876 5.095 -5.945 452 H GLY 58 H GLY 58 -5.272 8.545 -4.853 453 HA2 GLY 58 2HA GLY 58 -5.071 10.847 -5.285 454 HA3 GLY 58 3HA GLY 58 -6.857 11.007 -5.222 455 H ASP 59 H ASP 59 -7.830 10.782 -3.126 456 HA ASP 59 HA ASP 59 -6.309 11.983 -0.765 457 HB2 ASP 59 2HB ASP 59 -8.530 13.234 -2.434 458 HB3 ASP 59 3HB ASP 59 -8.625 13.437 -0.732 459 H VAL 60 H VAL 60 -7.895 9.443 -1.714 460 HA VAL 60 HA VAL 60 -9.730 9.138 0.641 461 HB VAL 60 HB VAL 60 -9.461 7.493 -1.842 462 HG11 VAL 60 1HG1 VAL 60 -11.456 6.195 -1.102 463 HG12 VAL 60 2HG1 VAL 60 -9.982 5.902 -0.142 464 HG13 VAL 60 3HG1 VAL 60 -11.222 6.982 0.523 465 HG21 VAL 60 1HG2 VAL 60 -11.748 8.195 -2.378 466 HG22 VAL 60 2HG2 VAL 60 -11.717 9.222 -0.913 467 HG23 VAL 60 3HG2 VAL 60 -10.612 9.571 -2.285 468 H VAL 61 H VAL 61 -8.471 8.500 2.318 469 HA VAL 61 HA VAL 61 -6.400 6.482 1.981 470 HB VAL 61 HB VAL 61 -6.040 8.350 3.465 471 HG11 VAL 61 1HG1 VAL 61 -8.003 7.230 5.458 472 HG12 VAL 61 2HG1 VAL 61 -7.001 8.600 5.630 473 HG13 VAL 61 3HG1 VAL 61 -8.352 8.673 4.422 474 HG21 VAL 61 1HG2 VAL 61 -4.976 7.164 5.225 475 HG22 VAL 61 2HG2 VAL 61 -6.024 5.802 5.057 476 HG23 VAL 61 3HG2 VAL 61 -4.854 6.183 3.723 477 H LEU 62 H LEU 62 -7.311 4.650 1.359 478 HA LEU 62 HA LEU 62 -9.470 3.467 2.924 479 HB2 LEU 62 2HB LEU 62 -9.573 3.642 0.441 480 HB3 LEU 62 3HB LEU 62 -8.218 2.473 0.363 481 HG LEU 62 HG LEU 62 -10.223 1.288 -0.013 482 HD11 LEU 62 1HD1 LEU 62 -9.829 0.689 2.901 483 HD12 LEU 62 2HD1 LEU 62 -8.809 0.034 1.569 484 HD13 LEU 62 3HD1 LEU 62 -10.517 -0.386 1.694 485 HD21 LEU 62 1HD2 LEU 62 -12.280 1.350 1.316 486 HD22 LEU 62 2HD2 LEU 62 -11.830 2.980 0.753 487 HD23 LEU 62 3HD2 LEU 62 -11.500 2.502 2.422 488 H LYS 63 H LYS 63 -8.335 3.270 4.786 489 HA LYS 63 HA LYS 63 -6.193 1.551 5.372 490 HB2 LYS 63 2HB LYS 63 -6.971 1.517 7.514 491 HB3 LYS 63 3HB LYS 63 -7.217 3.126 6.902 492 HG2 LYS 63 2HG LYS 63 -9.621 2.482 6.448 493 HG3 LYS 63 3HG LYS 63 -9.350 0.916 7.207 494 HD2 LYS 63 2HD LYS 63 -9.304 3.695 8.514 495 HD3 LYS 63 3HD LYS 63 -10.415 2.342 8.791 496 HE2 LYS 63 2HE LYS 63 -8.240 1.042 9.473 497 HE3 LYS 63 3HE LYS 63 -7.488 2.617 9.624 498 HZ1 LYS 63 1HZ LYS 63 -8.386 1.949 11.741 499 HZ2 LYS 63 2HZ LYS 63 -9.935 1.765 11.127 500 HZ3 LYS 63 3HZ LYS 63 -9.213 3.230 11.215 501 H PHE 64 H PHE 64 -5.652 -0.615 5.374 502 HA PHE 64 HA PHE 64 -7.820 -2.474 4.887 503 HB2 PHE 64 2HB PHE 64 -4.833 -2.574 4.707 504 HB3 PHE 64 3HB PHE 64 -5.868 -3.896 4.503 505 HD1 PHE 64 1HD PHE 64 -4.134 -1.497 2.767 506 HD2 PHE 64 2HD PHE 64 -8.061 -3.246 2.742 507 HE1 PHE 64 1HE PHE 64 -4.503 -0.642 0.524 508 HE2 PHE 64 2HE PHE 64 -8.343 -2.439 0.472 509 HZ PHE 64 HZ PHE 64 -6.561 -1.125 -0.715 510 H ALA 65 H ALA 65 -8.403 -3.915 6.545 511 HA ALA 65 HA ALA 65 -7.314 -3.790 9.191 512 HB1 ALA 65 1HB ALA 65 -8.914 -5.973 7.883 513 HB2 ALA 65 2HB ALA 65 -8.843 -5.610 9.609 514 HB3 ALA 65 3HB ALA 65 -9.679 -4.470 8.494 515 H THR 66 H THR 66 -5.490 -4.930 6.673 516 HA THR 66 HA THR 66 -4.076 -6.931 8.199 517 HB THR 66 HB THR 66 -4.856 -7.899 5.525 518 HG1 THR 66 1HG THR 66 -6.706 -7.947 7.760 519 HG21 THR 66 1HG2 THR 66 -3.594 -9.363 6.992 520 HG22 THR 66 2HG2 THR 66 -5.183 -10.043 6.631 521 HG23 THR 66 3HG2 THR 66 -4.885 -9.295 8.222 522 H VAL 67 H VAL 67 -2.435 -7.690 6.747 523 HA VAL 67 HA VAL 67 -1.612 -5.671 4.840 524 HB VAL 67 HB VAL 67 -0.412 -8.390 4.983 525 HG11 VAL 67 1HG1 VAL 67 0.180 -6.232 3.630 526 HG12 VAL 67 2HG1 VAL 67 0.643 -5.569 5.244 527 HG13 VAL 67 3HG1 VAL 67 1.545 -6.952 4.615 528 HG21 VAL 67 1HG2 VAL 67 0.159 -6.375 7.148 529 HG22 VAL 67 2HG2 VAL 67 -0.431 -8.066 7.349 530 HG23 VAL 67 3HG2 VAL 67 1.157 -7.744 6.587 531 H SER 68 H SER 68 -2.625 -9.129 4.711 532 HA SER 68 HA SER 68 -2.388 -9.405 1.914 533 HB2 SER 68 2HB SER 68 -2.712 -11.177 3.850 534 HB3 SER 68 3HB SER 68 -4.421 -11.079 3.364 535 HG SER 68 HG SER 68 -3.188 -12.674 2.224 536 H LYS 69 H LYS 69 -4.814 -7.637 3.595 537 HA LYS 69 HA LYS 69 -6.954 -7.700 1.633 538 HB2 LYS 69 2HB LYS 69 -5.702 -5.481 3.282 539 HB3 LYS 69 3HB LYS 69 -7.297 -5.373 2.531 540 HG2 LYS 69 2HG LYS 69 -6.957 -7.588 4.443 541 HG3 LYS 69 3HG LYS 69 -6.702 -6.003 5.126 542 HD2 LYS 69 2HD LYS 69 -8.980 -6.328 5.495 543 HD3 LYS 69 3HD LYS 69 -8.858 -5.275 4.005 544 HE2 LYS 69 2HE LYS 69 -8.745 -7.669 2.779 545 HE3 LYS 69 3HE LYS 69 -9.173 -8.334 4.304 546 HZ1 LYS 69 1HZ LYS 69 -11.267 -6.857 4.105 547 HZ2 LYS 69 2HZ LYS 69 -11.194 -8.183 3.179 548 HZ3 LYS 69 3HZ LYS 69 -10.920 -6.739 2.480 549 H ALA 70 H ALA 70 -4.156 -5.511 2.003 550 HA ALA 70 HA ALA 70 -4.495 -3.954 -0.339 551 HB1 ALA 70 1HB ALA 70 -3.015 -3.399 1.523 552 HB2 ALA 70 2HB ALA 70 -2.007 -4.835 1.218 553 HB3 ALA 70 3HB ALA 70 -2.044 -3.540 0.038 554 H ARG 71 H ARG 71 -3.359 -7.274 0.006 555 HA ARG 71 HA ARG 71 -1.984 -7.416 -2.553 556 HB2 ARG 71 2HB ARG 71 -1.756 -9.034 -0.520 557 HB3 ARG 71 3HB ARG 71 -3.253 -9.756 -1.117 558 HG2 ARG 71 2HG ARG 71 -2.253 -10.712 -2.944 559 HG3 ARG 71 3HG ARG 71 -1.178 -9.354 -3.210 560 HD2 ARG 71 2HD ARG 71 0.140 -11.242 -2.677 561 HD3 ARG 71 3HD ARG 71 0.292 -10.082 -1.345 562 HE ARG 71 HE ARG 71 -1.751 -11.881 -0.622 563 HH11 ARG 71 1HH1 ARG 71 1.929 -13.521 -0.508 564 HH12 ARG 71 2HH1 ARG 71 1.700 -12.119 -1.521 565 HH21 ARG 71 1HH2 ARG 71 0.201 -14.502 0.532 566 HH22 ARG 71 2HH2 ARG 71 -1.342 -13.682 0.670 567 H ALA 72 H ALA 72 -5.212 -8.382 -1.389 568 HA ALA 72 HA ALA 72 -6.387 -8.870 -3.960 569 HB1 ALA 72 1HB ALA 72 -7.673 -8.133 -1.308 570 HB2 ALA 72 2HB ALA 72 -8.457 -8.895 -2.704 571 HB3 ALA 72 3HB ALA 72 -7.205 -9.783 -1.803 572 H TYR 73 H TYR 73 -5.662 -5.847 -2.283 573 HA TYR 73 HA TYR 73 -7.589 -4.193 -3.723 574 HB2 TYR 73 2HB TYR 73 -6.522 -3.456 -1.657 575 HB3 TYR 73 3HB TYR 73 -5.026 -3.173 -2.590 576 HD1 TYR 73 1HD TYR 73 -8.432 -1.978 -1.908 577 HD2 TYR 73 2HD TYR 73 -5.154 -1.663 -4.692 578 HE1 TYR 73 1HE TYR 73 -9.619 -0.180 -3.121 579 HE2 TYR 73 2HE TYR 73 -6.458 -0.044 -6.015 580 HH TYR 73 HH TYR 73 -8.667 0.614 -6.420 581 H LEU 74 H LEU 74 -4.180 -4.889 -4.042 582 HA LEU 74 HA LEU 74 -3.553 -3.515 -6.320 583 HB2 LEU 74 2HB LEU 74 -2.526 -5.668 -4.629 584 HB3 LEU 74 3HB LEU 74 -2.178 -6.088 -6.233 585 HG LEU 74 HG LEU 74 -0.878 -4.057 -6.645 586 HD11 LEU 74 1HD1 LEU 74 -0.563 -2.461 -4.646 587 HD12 LEU 74 2HD1 LEU 74 -2.002 -3.250 -3.949 588 HD13 LEU 74 3HD1 LEU 74 -2.104 -2.343 -5.463 589 HD21 LEU 74 1HD2 LEU 74 -0.304 -5.179 -3.867 590 HD22 LEU 74 2HD2 LEU 74 0.828 -4.297 -4.892 591 HD23 LEU 74 3HD2 LEU 74 0.254 -5.901 -5.404 592 H GLU 75 H GLU 75 -5.239 -6.541 -6.272 593 HA GLU 75 HA GLU 75 -4.912 -6.881 -9.195 594 HB2 GLU 75 2HB GLU 75 -6.326 -9.028 -8.643 595 HB3 GLU 75 3HB GLU 75 -4.616 -8.894 -8.284 596 HG2 GLU 75 2HG GLU 75 -5.284 -8.221 -5.904 597 HG3 GLU 75 3HG GLU 75 -6.904 -8.661 -6.295 598 H THR 76 H THR 76 -7.015 -5.107 -7.226 599 HA THR 76 HA THR 76 -9.418 -5.349 -8.908 600 HB THR 76 HB THR 76 -9.342 -5.283 -5.864 601 HG1 THR 76 1HG THR 76 -8.950 -7.274 -6.215 602 HG21 THR 76 1HG2 THR 76 -11.626 -5.578 -7.832 603 HG22 THR 76 2HG2 THR 76 -11.368 -4.236 -6.693 604 HG23 THR 76 3HG2 THR 76 -11.754 -5.842 -6.079 605 H LYS 77 H LYS 77 -9.316 -3.452 -9.761 606 HA LYS 77 HA LYS 77 -10.090 -1.412 -10.230 607 HB2 LYS 77 2HB LYS 77 -11.074 -1.866 -7.508 608 HB3 LYS 77 3HB LYS 77 -10.960 -0.132 -7.937 609 HG2 LYS 77 2HG LYS 77 -13.118 -0.654 -8.621 610 HG3 LYS 77 3HG LYS 77 -12.193 -0.755 -10.104 611 HD2 LYS 77 2HD LYS 77 -13.447 -2.665 -10.308 612 HD3 LYS 77 3HD LYS 77 -12.041 -3.367 -9.469 613 HE2 LYS 77 2HE LYS 77 -13.253 -3.151 -7.303 614 HE3 LYS 77 3HE LYS 77 -14.571 -2.320 -8.110 615 HZ1 LYS 77 1HZ LYS 77 -15.348 -4.458 -7.950 616 HZ2 LYS 77 2HZ LYS 77 -13.940 -5.203 -8.248 617 HZ3 LYS 77 3HZ LYS 77 -14.795 -4.472 -9.457 Start of MODEL 19 1 H2 SER 1 2H SER 1 9.585 -9.123 14.021 2 H3 SER 1 3H SER 1 9.551 -9.770 15.576 3 HA SER 1 HA SER 1 7.364 -9.603 14.518 4 HB2 SER 1 2HB SER 1 7.684 -7.949 17.050 5 HB3 SER 1 3HB SER 1 6.290 -8.944 16.568 6 HG SER 1 HG SER 1 7.410 -10.347 17.832 7 H HIS 2 H HIS 2 5.563 -8.177 14.074 8 HA HIS 2 HA HIS 2 4.356 -6.231 13.704 9 HB2 HIS 2 2HB HIS 2 6.663 -4.317 13.857 10 HB3 HIS 2 3HB HIS 2 4.999 -4.080 14.265 11 HD1 HIS 2 1HD HIS 2 7.658 -3.340 15.933 12 HD2 HIS 2 2HD HIS 2 4.813 -6.368 16.639 13 HE1 HIS 2 1HE HIS 2 7.686 -3.799 18.426 14 H MET 3 H MET 3 7.576 -5.369 12.536 15 HA MET 3 HA MET 3 7.070 -5.322 9.692 16 HB2 MET 3 2HB MET 3 9.703 -5.547 11.173 17 HB3 MET 3 3HB MET 3 9.438 -5.024 9.497 18 HG2 MET 3 2HG MET 3 8.082 -3.106 10.341 19 HG3 MET 3 3HG MET 3 8.475 -3.563 11.989 20 HE1 MET 3 1HE MET 3 11.527 -4.393 11.937 21 HE2 MET 3 2HE MET 3 12.322 -2.829 12.227 22 HE3 MET 3 3HE MET 3 10.845 -3.254 13.129 23 H THR 4 H THR 4 6.119 -7.703 10.921 24 HA THR 4 HA THR 4 7.626 -9.862 9.574 25 HB THR 4 HB THR 4 5.363 -9.913 11.512 26 HG1 THR 4 1HG THR 4 7.866 -11.055 12.078 27 HG21 THR 4 1HG2 THR 4 5.223 -11.930 10.147 28 HG22 THR 4 2HG2 THR 4 5.866 -12.396 11.715 29 HG23 THR 4 3HG2 THR 4 6.961 -12.242 10.313 30 H ALA 5 H ALA 5 4.181 -8.960 10.121 31 HA ALA 5 HA ALA 5 3.356 -10.304 7.731 32 HB1 ALA 5 1HB ALA 5 1.924 -8.211 9.464 33 HB2 ALA 5 2HB ALA 5 1.152 -9.359 8.339 34 HB3 ALA 5 3HB ALA 5 1.969 -9.975 9.785 35 H VAL 6 H VAL 6 3.709 -6.918 8.560 36 HA VAL 6 HA VAL 6 2.576 -5.947 6.055 37 HB VAL 6 HB VAL 6 4.056 -4.669 8.361 38 HG11 VAL 6 1HG1 VAL 6 4.611 -3.258 6.460 39 HG12 VAL 6 2HG1 VAL 6 2.929 -3.327 5.857 40 HG13 VAL 6 3HG1 VAL 6 3.313 -2.463 7.357 41 HG21 VAL 6 1HG2 VAL 6 1.841 -3.661 8.827 42 HG22 VAL 6 2HG2 VAL 6 1.159 -4.498 7.415 43 HG23 VAL 6 3HG2 VAL 6 1.755 -5.427 8.812 44 H GLN 7 H GLN 7 5.751 -6.775 7.154 45 HA GLN 7 HA GLN 7 7.442 -5.514 5.233 46 HB2 GLN 7 2HB GLN 7 8.210 -6.351 7.394 47 HB3 GLN 7 3HB GLN 7 7.580 -7.953 7.070 48 HG2 GLN 7 2HG GLN 7 9.853 -8.262 6.868 49 HG3 GLN 7 3HG GLN 7 9.378 -8.091 5.174 50 HE21 GLN 7 1HE2 GLN 7 9.177 -5.411 4.680 51 HE22 GLN 7 2HE2 GLN 7 10.454 -4.522 5.385 52 H ASP 8 H ASP 8 6.589 -8.783 5.632 53 HA ASP 8 HA ASP 8 7.355 -10.223 3.457 54 HB2 ASP 8 2HB ASP 8 6.292 -11.411 5.204 55 HB3 ASP 8 3HB ASP 8 4.855 -10.403 5.181 56 H PHE 9 H PHE 9 4.195 -8.577 3.658 57 HA PHE 9 HA PHE 9 3.563 -9.117 0.902 58 HB2 PHE 9 2HB PHE 9 1.896 -8.817 2.619 59 HB3 PHE 9 3HB PHE 9 2.461 -7.192 2.995 60 HD1 PHE 9 1HD PHE 9 0.957 -9.170 0.166 61 HD2 PHE 9 2HD PHE 9 1.965 -5.296 1.708 62 HE1 PHE 9 1HE PHE 9 -0.066 -8.084 -1.834 63 HE2 PHE 9 2HE PHE 9 0.912 -4.239 -0.255 64 HZ PHE 9 HZ PHE 9 -0.205 -5.622 -1.993 65 H VAL 10 H VAL 10 5.141 -6.366 2.508 66 HA VAL 10 HA VAL 10 4.705 -4.558 0.340 67 HB VAL 10 HB VAL 10 6.471 -4.479 2.781 68 HG11 VAL 10 1HG1 VAL 10 6.531 -2.361 0.571 69 HG12 VAL 10 2HG1 VAL 10 7.148 -2.145 2.224 70 HG13 VAL 10 3HG1 VAL 10 7.903 -3.318 1.167 71 HG21 VAL 10 1HG2 VAL 10 3.914 -3.930 2.587 72 HG22 VAL 10 2HG2 VAL 10 4.951 -2.727 3.396 73 HG23 VAL 10 3HG2 VAL 10 4.437 -2.495 1.715 74 H VAL 11 H VAL 11 7.585 -6.392 1.275 75 HA VAL 11 HA VAL 11 9.396 -5.508 -0.658 76 HB VAL 11 HB VAL 11 10.552 -7.614 -0.483 77 HG11 VAL 11 1HG1 VAL 11 11.034 -5.698 1.055 78 HG12 VAL 11 2HG1 VAL 11 9.766 -6.267 2.159 79 HG13 VAL 11 3HG1 VAL 11 11.219 -7.246 1.889 80 HG21 VAL 11 1HG2 VAL 11 8.289 -8.203 1.345 81 HG22 VAL 11 2HG2 VAL 11 8.676 -8.983 -0.193 82 HG23 VAL 11 3HG2 VAL 11 9.779 -9.190 1.205 83 H ASP 12 H ASP 12 6.753 -7.749 -1.118 84 HA ASP 12 HA ASP 12 7.674 -9.066 -3.475 85 HB2 ASP 12 2HB ASP 12 5.822 -9.776 -1.836 86 HB3 ASP 12 3HB ASP 12 4.767 -8.665 -2.705 87 H ILE 13 H ILE 13 5.351 -6.447 -3.246 88 HA ILE 13 HA ILE 13 5.166 -5.462 -6.060 89 HB ILE 13 HB ILE 13 4.878 -4.161 -3.371 90 HG12 ILE 13 2HG1 ILE 13 2.447 -4.070 -4.106 91 HG13 ILE 13 3HG1 ILE 13 2.837 -5.257 -5.344 92 HG21 ILE 13 1HG2 ILE 13 3.923 -2.378 -4.726 93 HG22 ILE 13 2HG2 ILE 13 5.531 -2.584 -5.252 94 HG23 ILE 13 3HG2 ILE 13 4.228 -3.277 -6.240 95 HD11 ILE 13 1HD1 ILE 13 1.780 -6.202 -3.307 96 HD12 ILE 13 2HD1 ILE 13 3.347 -6.917 -3.607 97 HD13 ILE 13 3HD1 ILE 13 3.176 -5.663 -2.339 98 H LEU 14 H LEU 14 7.290 -4.874 -3.293 99 HA LEU 14 HA LEU 14 8.738 -2.856 -4.488 100 HB2 LEU 14 2HB LEU 14 8.704 -4.449 -2.072 101 HB3 LEU 14 3HB LEU 14 10.283 -4.618 -2.655 102 HG LEU 14 HG LEU 14 8.961 -1.992 -1.985 103 HD11 LEU 14 1HD1 LEU 14 9.797 -3.461 -0.123 104 HD12 LEU 14 2HD1 LEU 14 10.697 -1.920 -0.273 105 HD13 LEU 14 3HD1 LEU 14 11.389 -3.448 -0.868 106 HD21 LEU 14 1HD2 LEU 14 11.586 -2.615 -3.388 107 HD22 LEU 14 2HD2 LEU 14 11.256 -1.042 -2.593 108 HD23 LEU 14 3HD2 LEU 14 10.279 -1.588 -3.967 109 H LEU 15 H LEU 15 9.756 -6.242 -4.266 110 HA LEU 15 HA LEU 15 12.239 -5.723 -5.792 111 HB2 LEU 15 2HB LEU 15 11.316 -8.074 -4.061 112 HB3 LEU 15 3HB LEU 15 12.877 -7.938 -4.791 113 HG LEU 15 HG LEU 15 11.726 -6.276 -2.515 114 HD11 LEU 15 1HD1 LEU 15 14.209 -8.022 -2.700 115 HD12 LEU 15 2HD1 LEU 15 12.659 -8.477 -1.952 116 HD13 LEU 15 3HD1 LEU 15 13.623 -7.162 -1.255 117 HD21 LEU 15 1HD2 LEU 15 12.944 -4.657 -3.903 118 HD22 LEU 15 2HD2 LEU 15 14.368 -5.718 -3.920 119 HD23 LEU 15 3HD2 LEU 15 13.815 -4.986 -2.403 120 H ASN 16 H ASN 16 9.464 -7.983 -5.778 121 HA ASN 16 HA ASN 16 10.383 -9.210 -8.312 122 HB2 ASN 16 2HB ASN 16 7.853 -9.722 -6.689 123 HB3 ASN 16 3HB ASN 16 8.446 -10.681 -8.035 124 HD21 ASN 16 1HD2 ASN 16 8.180 -10.798 -4.780 125 HD22 ASN 16 2HD2 ASN 16 9.688 -11.637 -4.365 126 H GLY 17 H GLY 17 8.218 -6.688 -7.153 127 HA2 GLY 17 2HA GLY 17 7.292 -5.032 -8.563 128 HA3 GLY 17 3HA GLY 17 7.193 -6.137 -9.902 129 H ALA 18 H ALA 18 5.132 -4.708 -9.598 130 HA ALA 18 HA ALA 18 3.159 -5.891 -7.791 131 HB1 ALA 18 1HB ALA 18 2.767 -3.692 -9.835 132 HB2 ALA 18 2HB ALA 18 1.846 -3.984 -8.334 133 HB3 ALA 18 3HB ALA 18 3.521 -3.387 -8.256 134 H ARG 19 H ARG 19 0.886 -5.832 -8.757 135 HA ARG 19 HA ARG 19 0.165 -7.498 -11.014 136 HB2 ARG 19 2HB ARG 19 -1.067 -6.044 -8.824 137 HB3 ARG 19 3HB ARG 19 -1.774 -5.482 -10.298 138 HG2 ARG 19 2HG ARG 19 -3.066 -7.231 -9.429 139 HG3 ARG 19 3HG ARG 19 -2.367 -7.832 -10.939 140 HD2 ARG 19 2HD ARG 19 -1.015 -8.411 -8.272 141 HD3 ARG 19 3HD ARG 19 -2.461 -9.293 -8.705 142 HE ARG 19 HE ARG 19 0.108 -9.364 -10.185 143 HH11 ARG 19 1HH1 ARG 19 -2.619 -12.278 -10.463 144 HH12 ARG 19 2HH1 ARG 19 -2.975 -11.007 -9.406 145 HH21 ARG 19 1HH2 ARG 19 -0.728 -12.434 -11.584 146 HH22 ARG 19 2HH2 ARG 19 0.398 -11.096 -11.628 147 H ASP 20 H ASP 20 -1.578 -5.690 -12.337 148 HA ASP 20 HA ASP 20 -0.003 -4.407 -14.348 149 HB2 ASP 20 2HB ASP 20 -2.471 -5.236 -14.268 150 HB3 ASP 20 3HB ASP 20 -2.845 -3.677 -13.556 151 H TRP 21 H TRP 21 0.289 -3.511 -11.326 152 HA TRP 21 HA TRP 21 0.140 -0.500 -11.615 153 HB2 TRP 21 2HB TRP 21 1.282 -2.019 -9.197 154 HB3 TRP 21 3HB TRP 21 0.793 -0.358 -9.356 155 HD1 TRP 21 1HD TRP 21 -1.783 -2.905 -10.513 156 HE1 TRP 21 1HE TRP 21 -3.825 -2.831 -8.930 157 HE3 TRP 21 3HE TRP 21 0.134 0.344 -7.149 158 HZ2 TRP 21 2HZ TRP 21 -4.629 -1.075 -6.784 159 HZ3 TRP 21 3HZ TRP 21 -1.330 1.376 -5.510 160 HH2 TRP 21 2HH TRP 21 -3.664 0.594 -5.258 161 H ASP 22 H ASP 22 2.064 0.633 -10.840 162 HA ASP 22 HA ASP 22 4.488 -0.020 -12.175 163 HB2 ASP 22 2HB ASP 22 3.388 2.091 -13.031 164 HB3 ASP 22 3HB ASP 22 3.440 2.733 -11.400 165 H VAL 23 H VAL 23 6.350 1.050 -10.677 166 HA VAL 23 HA VAL 23 5.793 -0.102 -8.000 167 HB VAL 23 HB VAL 23 8.219 -0.834 -9.672 168 HG11 VAL 23 1HG1 VAL 23 7.661 -1.348 -6.741 169 HG12 VAL 23 2HG1 VAL 23 9.019 -2.055 -7.664 170 HG13 VAL 23 3HG1 VAL 23 8.952 -0.292 -7.379 171 HG21 VAL 23 1HG2 VAL 23 7.562 -3.129 -9.354 172 HG22 VAL 23 2HG2 VAL 23 6.162 -2.597 -8.373 173 HG23 VAL 23 3HG2 VAL 23 6.205 -2.234 -10.112 174 H LEU 24 H LEU 24 5.875 1.751 -7.001 175 HA LEU 24 HA LEU 24 7.978 3.659 -7.770 176 HB2 LEU 24 2HB LEU 24 5.123 4.032 -7.784 177 HB3 LEU 24 3HB LEU 24 5.634 4.713 -6.450 178 HG LEU 24 HG LEU 24 7.634 5.747 -8.166 179 HD11 LEU 24 1HD1 LEU 24 6.406 4.578 -9.998 180 HD12 LEU 24 2HD1 LEU 24 6.477 6.316 -10.238 181 HD13 LEU 24 3HD1 LEU 24 4.931 5.542 -9.718 182 HD21 LEU 24 1HD2 LEU 24 6.442 7.267 -6.796 183 HD22 LEU 24 2HD2 LEU 24 4.834 6.959 -7.519 184 HD23 LEU 24 3HD2 LEU 24 6.140 7.810 -8.396 185 H GLN 25 H GLN 25 8.988 4.522 -6.147 186 HA GLN 25 HA GLN 25 8.152 3.786 -3.333 187 HB2 GLN 25 2HB GLN 25 10.980 4.180 -4.199 188 HB3 GLN 25 3HB GLN 25 10.415 3.930 -2.556 189 HG2 GLN 25 2HG GLN 25 10.150 1.954 -4.944 190 HG3 GLN 25 3HG GLN 25 11.335 1.828 -3.646 191 HE21 GLN 25 1HE2 GLN 25 8.271 0.680 -4.733 192 HE22 GLN 25 2HE2 GLN 25 7.845 0.018 -3.185 193 H THR 26 H THR 26 6.770 5.485 -3.542 194 HA THR 26 HA THR 26 8.100 8.003 -2.752 195 HB THR 26 HB THR 26 7.063 8.289 -4.952 196 HG1 THR 26 1HG THR 26 6.902 10.089 -3.832 197 HG21 THR 26 1HG2 THR 26 4.391 7.585 -3.689 198 HG22 THR 26 2HG2 THR 26 5.235 6.610 -4.935 199 HG23 THR 26 3HG2 THR 26 4.659 8.236 -5.292 200 H THR 27 H THR 27 5.932 9.304 -1.557 201 HA THR 27 HA THR 27 4.897 7.540 0.505 202 HB THR 27 HB THR 27 5.710 8.725 2.353 203 HG1 THR 27 1HG THR 27 7.724 10.093 1.091 204 HG21 THR 27 1HG2 THR 27 7.153 6.824 1.627 205 HG22 THR 27 2HG2 THR 27 8.046 8.090 2.486 206 HG23 THR 27 3HG2 THR 27 8.145 7.971 0.716 207 H CYS 28 H CYS 28 2.992 8.539 1.241 208 HA CYS 28 HA CYS 28 2.156 10.945 -0.336 209 HB2 CYS 28 2HB CYS 28 1.749 8.659 -1.131 210 HB3 CYS 28 3HB CYS 28 0.663 8.347 0.131 211 HG CYS 28 HG CYS 28 -0.638 8.947 -2.203 212 H THR 29 H THR 29 0.482 12.129 0.421 213 HA THR 29 HA THR 29 0.633 11.892 3.343 214 HB THR 29 HB THR 29 0.459 14.536 1.780 215 HG1 THR 29 1HG THR 29 2.297 13.172 1.281 216 HG21 THR 29 1HG2 THR 29 1.488 15.543 3.804 217 HG22 THR 29 2HG2 THR 29 1.469 13.957 4.606 218 HG23 THR 29 3HG2 THR 29 -0.057 14.770 4.203 219 H VAL 30 H VAL 30 -1.010 11.663 4.398 220 HA VAL 30 HA VAL 30 -3.646 12.863 3.906 221 HB VAL 30 HB VAL 30 -3.449 9.828 3.503 222 HG11 VAL 30 1HG1 VAL 30 -5.788 10.157 2.607 223 HG12 VAL 30 2HG1 VAL 30 -5.643 10.523 4.272 224 HG13 VAL 30 3HG1 VAL 30 -5.724 11.896 3.151 225 HG21 VAL 30 1HG2 VAL 30 -2.477 10.793 1.480 226 HG22 VAL 30 2HG2 VAL 30 -4.088 10.243 1.113 227 HG23 VAL 30 3HG2 VAL 30 -3.803 11.978 1.332 228 H ASP 31 H ASP 31 -5.214 12.256 5.674 229 HA ASP 31 HA ASP 31 -5.682 12.292 7.916 230 HB2 ASP 31 2HB ASP 31 -3.796 9.910 7.840 231 HB3 ASP 31 3HB ASP 31 -4.461 10.458 9.358 232 H ARG 32 H ARG 32 -3.462 13.900 6.892 233 HA ARG 32 HA ARG 32 -2.007 15.515 7.652 234 HB2 ARG 32 2HB ARG 32 -2.476 14.733 10.542 235 HB3 ARG 32 3HB ARG 32 -1.952 16.277 9.902 236 HG2 ARG 32 2HG ARG 32 -4.191 16.716 8.980 237 HG3 ARG 32 3HG ARG 32 -4.719 15.113 9.447 238 HD2 ARG 32 2HD ARG 32 -5.539 16.190 11.267 239 HD3 ARG 32 3HD ARG 32 -3.934 15.866 11.884 240 HE ARG 32 HE ARG 32 -3.285 18.131 11.453 241 HH11 ARG 32 1HH1 ARG 32 -6.970 19.257 10.259 242 HH12 ARG 32 2HH1 ARG 32 -6.602 17.587 10.444 243 HH21 ARG 32 1HH2 ARG 32 -5.278 20.796 10.478 244 HH22 ARG 32 2HH2 ARG 32 -3.763 20.346 11.190 245 H LYS 33 H LYS 33 -1.467 12.558 7.335 246 HA LYS 33 HA LYS 33 1.095 12.142 8.706 247 HB2 LYS 33 2HB LYS 33 -1.322 10.657 9.006 248 HB3 LYS 33 3HB LYS 33 -0.413 9.721 7.859 249 HG2 LYS 33 2HG LYS 33 1.055 10.683 10.317 250 HG3 LYS 33 3HG LYS 33 -0.241 9.566 10.561 251 HD2 LYS 33 2HD LYS 33 2.229 8.997 8.928 252 HD3 LYS 33 3HD LYS 33 1.843 8.364 10.511 253 HE2 LYS 33 2HE LYS 33 0.379 7.747 7.907 254 HE3 LYS 33 3HE LYS 33 1.432 6.643 8.824 255 HZ1 LYS 33 1HZ LYS 33 -0.189 6.799 10.651 256 HZ2 LYS 33 2HZ LYS 33 -0.661 6.025 9.330 257 HZ3 LYS 33 3HZ LYS 33 -1.256 7.552 9.637 258 H VAL 34 H VAL 34 2.294 10.442 7.480 259 HA VAL 34 HA VAL 34 1.926 10.671 4.523 260 HB VAL 34 HB VAL 34 4.343 10.849 6.208 261 HG11 VAL 34 1HG1 VAL 34 5.761 10.773 4.114 262 HG12 VAL 34 2HG1 VAL 34 4.960 9.237 4.456 263 HG13 VAL 34 3HG1 VAL 34 4.295 10.329 3.209 264 HG21 VAL 34 1HG2 VAL 34 4.925 12.871 4.948 265 HG22 VAL 34 2HG2 VAL 34 3.453 12.660 3.978 266 HG23 VAL 34 3HG2 VAL 34 3.336 13.009 5.723 267 H TYR 35 H TYR 35 1.940 8.733 3.544 268 HA TYR 35 HA TYR 35 2.578 6.244 5.139 269 HB2 TYR 35 2HB TYR 35 0.649 6.645 2.812 270 HB3 TYR 35 3HB TYR 35 0.982 5.131 3.695 271 HD1 TYR 35 1HD TYR 35 0.321 4.788 5.959 272 HD2 TYR 35 2HD TYR 35 -0.575 8.425 3.804 273 HE1 TYR 35 1HE TYR 35 -1.546 5.267 7.564 274 HE2 TYR 35 2HE TYR 35 -2.343 8.987 5.480 275 HH TYR 35 HH TYR 35 -3.526 6.642 7.884 276 H LYS 36 H LYS 36 4.006 4.828 4.211 277 HA LYS 36 HA LYS 36 5.312 5.913 1.836 278 HB2 LYS 36 2HB LYS 36 6.078 3.483 3.358 279 HB3 LYS 36 3HB LYS 36 7.099 4.470 2.365 280 HG2 LYS 36 2HG LYS 36 7.115 6.264 4.061 281 HG3 LYS 36 3HG LYS 36 5.942 5.375 5.035 282 HD2 LYS 36 2HD LYS 36 8.127 5.098 6.017 283 HD3 LYS 36 3HD LYS 36 7.539 3.558 5.399 284 HE2 LYS 36 2HE LYS 36 9.445 3.287 4.260 285 HE3 LYS 36 3HE LYS 36 9.021 4.647 3.244 286 HZ1 LYS 36 1HZ LYS 36 10.173 6.079 4.949 287 HZ2 LYS 36 2HZ LYS 36 11.192 5.015 4.278 288 HZ3 LYS 36 3HZ LYS 36 10.614 4.729 5.754 289 H THR 37 H THR 37 5.166 5.225 -0.182 290 HA THR 37 HA THR 37 3.060 3.351 -0.697 291 HB THR 37 HB THR 37 2.728 4.334 -2.776 292 HG1 THR 37 1HG THR 37 5.338 5.320 -2.284 293 HG21 THR 37 1HG2 THR 37 2.313 6.597 -2.345 294 HG22 THR 37 2HG2 THR 37 3.778 6.855 -1.414 295 HG23 THR 37 3HG2 THR 37 2.426 6.018 -0.689 296 H ILE 38 H ILE 38 3.312 1.676 -2.182 297 HA ILE 38 HA ILE 38 6.115 0.750 -2.656 298 HB ILE 38 HB ILE 38 3.703 -1.027 -3.207 299 HG12 ILE 38 2HG1 ILE 38 4.567 -0.308 -0.285 300 HG13 ILE 38 3HG1 ILE 38 2.988 -0.063 -1.028 301 HG21 ILE 38 1HG2 ILE 38 5.526 -2.615 -2.150 302 HG22 ILE 38 2HG2 ILE 38 6.276 -1.628 -3.383 303 HG23 ILE 38 3HG2 ILE 38 6.483 -1.240 -1.684 304 HD11 ILE 38 1HD1 ILE 38 2.710 -2.035 0.202 305 HD12 ILE 38 2HD1 ILE 38 2.770 -2.531 -1.505 306 HD13 ILE 38 3HD1 ILE 38 4.169 -2.746 -0.462 307 H CYS 39 H CYS 39 3.035 1.288 -4.062 308 HA CYS 39 HA CYS 39 4.131 1.092 -6.821 309 HB2 CYS 39 2HB CYS 39 2.311 -0.813 -7.342 310 HB3 CYS 39 3HB CYS 39 3.668 -1.110 -6.836 311 HG CYS 39 HG CYS 39 0.769 -0.264 -5.185 312 H LYS 40 H LYS 40 2.949 2.061 -8.256 313 HA LYS 40 HA LYS 40 0.520 3.229 -7.412 314 HB2 LYS 40 2HB LYS 40 2.481 4.853 -7.794 315 HB3 LYS 40 3HB LYS 40 2.477 4.161 -9.461 316 HG2 LYS 40 2HG LYS 40 -0.011 5.162 -9.445 317 HG3 LYS 40 3HG LYS 40 0.572 6.004 -8.041 318 HD2 LYS 40 2HD LYS 40 1.002 7.520 -9.838 319 HD3 LYS 40 3HD LYS 40 2.574 6.844 -9.517 320 HE2 LYS 40 2HE LYS 40 2.150 5.205 -11.453 321 HE3 LYS 40 3HE LYS 40 0.646 6.105 -11.784 322 HZ1 LYS 40 1HZ LYS 40 2.053 8.132 -12.103 323 HZ2 LYS 40 2HZ LYS 40 2.464 6.948 -13.175 324 HZ3 LYS 40 3HZ LYS 40 3.397 7.227 -11.877 325 H ARG 41 H ARG 41 -1.238 2.956 -8.527 326 HA ARG 41 HA ARG 41 -1.102 2.170 -11.402 327 HB2 ARG 41 2HB ARG 41 -1.674 0.064 -10.418 328 HB3 ARG 41 3HB ARG 41 -2.887 0.840 -9.392 329 HG2 ARG 41 2HG ARG 41 -3.366 1.400 -12.254 330 HG3 ARG 41 3HG ARG 41 -3.372 -0.256 -11.915 331 HD2 ARG 41 2HD ARG 41 -5.227 -0.093 -10.419 332 HD3 ARG 41 3HD ARG 41 -4.805 1.492 -9.999 333 HE ARG 41 HE ARG 41 -5.458 1.544 -12.830 334 HH11 ARG 41 1HH1 ARG 41 -8.640 1.730 -10.281 335 HH12 ARG 41 2HH1 ARG 41 -7.264 0.753 -9.873 336 HH21 ARG 41 1HH2 ARG 41 -8.693 2.760 -12.344 337 HH22 ARG 41 2HH2 ARG 41 -7.316 2.599 -13.395 338 H GLY 42 H GLY 42 -1.999 3.898 -12.377 339 HA2 GLY 42 2HA GLY 42 -3.874 5.239 -12.925 340 HA3 GLY 42 3HA GLY 42 -4.674 4.550 -11.552 341 H ASN 43 H ASN 43 -5.423 6.109 -10.373 342 HA ASN 43 HA ASN 43 -3.649 8.308 -9.415 343 HB2 ASN 43 2HB ASN 43 -5.749 9.073 -8.322 344 HB3 ASN 43 3HB ASN 43 -5.797 8.979 -10.037 345 HD21 ASN 43 1HD2 ASN 43 -6.263 6.055 -7.943 346 HD22 ASN 43 2HD2 ASN 43 -7.994 6.011 -8.273 347 H THR 44 H THR 44 -3.912 5.184 -8.771 348 HA THR 44 HA THR 44 -4.313 5.255 -5.800 349 HB THR 44 HB THR 44 -4.209 2.779 -7.539 350 HG1 THR 44 1HG THR 44 -6.598 3.113 -7.359 351 HG21 THR 44 1HG2 THR 44 -5.569 1.765 -5.999 352 HG22 THR 44 2HG2 THR 44 -5.959 3.286 -5.150 353 HG23 THR 44 3HG2 THR 44 -4.346 2.618 -4.996 354 H TYR 45 H TYR 45 -2.831 4.148 -4.364 355 HA TYR 45 HA TYR 45 -0.095 3.791 -5.120 356 HB2 TYR 45 2HB TYR 45 -1.088 6.144 -3.414 357 HB3 TYR 45 3HB TYR 45 0.561 5.460 -3.348 358 HD1 TYR 45 1HD TYR 45 -1.872 6.918 -5.696 359 HD2 TYR 45 2HD TYR 45 2.276 6.273 -4.811 360 HE1 TYR 45 1HE TYR 45 -1.294 8.664 -7.401 361 HE2 TYR 45 2HE TYR 45 2.876 7.874 -6.613 362 HH TYR 45 HH TYR 45 2.121 9.569 -8.022 363 H LEU 46 H LEU 46 0.133 1.978 -4.010 364 HA LEU 46 HA LEU 46 -1.586 1.331 -1.677 365 HB2 LEU 46 2HB LEU 46 -0.701 -0.218 -3.761 366 HB3 LEU 46 3HB LEU 46 0.678 -0.157 -2.813 367 HG LEU 46 HG LEU 46 -0.948 -0.752 -0.778 368 HD11 LEU 46 1HD1 LEU 46 -2.655 -1.575 -3.198 369 HD12 LEU 46 2HD1 LEU 46 -3.047 -0.315 -2.020 370 HD13 LEU 46 3HD1 LEU 46 -3.007 -2.009 -1.517 371 HD21 LEU 46 1HD2 LEU 46 0.593 -2.299 -1.275 372 HD22 LEU 46 2HD2 LEU 46 -0.097 -2.740 -2.854 373 HD23 LEU 46 3HD2 LEU 46 -0.936 -3.181 -1.333 374 H CYS 47 H CYS 47 -0.788 1.445 0.452 375 HA CYS 47 HA CYS 47 2.064 2.070 0.851 376 HB2 CYS 47 2HB CYS 47 -0.069 3.814 2.164 377 HB3 CYS 47 3HB CYS 47 1.656 4.169 1.866 378 HG CYS 47 HG CYS 47 -0.714 3.838 -0.443 379 H PHE 48 H PHE 48 2.449 2.466 3.398 380 HA PHE 48 HA PHE 48 0.736 0.742 5.052 381 HB2 PHE 48 2HB PHE 48 2.356 -0.931 5.432 382 HB3 PHE 48 3HB PHE 48 2.220 -0.747 3.697 383 HD1 PHE 48 1HD PHE 48 3.990 0.443 2.371 384 HD2 PHE 48 2HD PHE 48 4.458 -0.622 6.518 385 HE1 PHE 48 1HE PHE 48 6.440 0.558 2.102 386 HE2 PHE 48 2HE PHE 48 6.897 -0.669 6.243 387 HZ PHE 48 HZ PHE 48 7.924 -0.074 4.034 388 H ASP 49 H ASP 49 1.320 0.514 7.262 389 HA ASP 49 HA ASP 49 3.252 2.549 8.363 390 HB2 ASP 49 2HB ASP 49 0.601 1.815 9.613 391 HB3 ASP 49 3HB ASP 49 1.803 2.853 10.352 392 H ASP 50 H ASP 50 2.771 1.693 11.071 393 HA ASP 50 HA ASP 50 3.935 -0.940 11.181 394 HB2 ASP 50 2HB ASP 50 2.992 1.039 13.268 395 HB3 ASP 50 3HB ASP 50 3.228 -0.602 13.765 396 H THR 51 H THR 51 0.633 0.137 11.154 397 HA THR 51 HA THR 51 -0.339 -2.089 12.807 398 HB THR 51 HB THR 51 -2.593 -0.953 12.128 399 HG1 THR 51 1HG THR 51 -2.375 1.022 11.156 400 HG21 THR 51 1HG2 THR 51 -2.285 0.864 13.750 401 HG22 THR 51 2HG2 THR 51 -0.512 0.616 13.727 402 HG23 THR 51 3HG2 THR 51 -1.602 -0.659 14.344 403 H ASN 52 H ASN 52 -0.229 -1.199 9.435 404 HA ASN 52 HA ASN 52 -0.930 -3.505 8.134 405 HB2 ASN 52 2HB ASN 52 -3.286 -2.677 7.416 406 HB3 ASN 52 3HB ASN 52 -3.129 -3.729 8.827 407 HD21 ASN 52 1HD2 ASN 52 -3.669 -0.351 7.738 408 HD22 ASN 52 2HD2 ASN 52 -4.361 0.165 9.265 409 H LEU 53 H LEU 53 -2.059 -2.944 5.990 410 HA LEU 53 HA LEU 53 -0.684 -0.711 4.689 411 HB2 LEU 53 2HB LEU 53 -2.045 -3.286 3.852 412 HB3 LEU 53 3HB LEU 53 -1.829 -2.014 2.682 413 HG LEU 53 HG LEU 53 0.687 -2.151 4.000 414 HD11 LEU 53 1HD1 LEU 53 1.389 -4.453 3.934 415 HD12 LEU 53 2HD1 LEU 53 -0.237 -4.961 3.445 416 HD13 LEU 53 3HD1 LEU 53 0.041 -4.252 5.065 417 HD21 LEU 53 1HD2 LEU 53 1.502 -3.107 1.920 418 HD22 LEU 53 2HD2 LEU 53 0.334 -1.806 1.589 419 HD23 LEU 53 3HD2 LEU 53 -0.174 -3.512 1.473 420 H TYR 54 H TYR 54 -1.757 0.523 3.089 421 HA TYR 54 HA TYR 54 -4.653 1.001 3.439 422 HB2 TYR 54 2HB TYR 54 -2.800 3.395 3.385 423 HB3 TYR 54 3HB TYR 54 -4.503 3.327 3.654 424 HD1 TYR 54 1HD TYR 54 -1.341 1.953 5.334 425 HD2 TYR 54 2HD TYR 54 -5.209 3.764 5.756 426 HE1 TYR 54 1HE TYR 54 -1.161 1.761 7.801 427 HE2 TYR 54 2HE TYR 54 -4.999 3.682 8.216 428 HH TYR 54 HH TYR 54 -3.630 3.165 9.981 429 H ALA 55 H ALA 55 -5.579 1.776 1.338 430 HA ALA 55 HA ALA 55 -3.547 2.252 -0.863 431 HB1 ALA 55 1HB ALA 55 -5.461 1.886 -2.423 432 HB2 ALA 55 2HB ALA 55 -5.166 0.436 -1.453 433 HB3 ALA 55 3HB ALA 55 -6.508 1.511 -1.070 434 H ILE 56 H ILE 56 -3.097 4.342 -1.054 435 HA ILE 56 HA ILE 56 -5.200 6.269 -0.401 436 HB ILE 56 HB ILE 56 -2.242 6.632 -0.871 437 HG12 ILE 56 2HG1 ILE 56 -2.943 8.202 1.289 438 HG13 ILE 56 3HG1 ILE 56 -4.240 7.102 1.393 439 HG21 ILE 56 1HG2 ILE 56 -3.385 8.415 -2.194 440 HG22 ILE 56 2HG2 ILE 56 -4.537 8.751 -0.885 441 HG23 ILE 56 3HG2 ILE 56 -2.824 9.160 -0.709 442 HD11 ILE 56 1HD1 ILE 56 -2.583 5.186 1.557 443 HD12 ILE 56 2HD1 ILE 56 -1.339 6.478 1.555 444 HD13 ILE 56 3HD1 ILE 56 -2.507 6.452 2.859 445 H THR 57 H THR 57 -6.617 6.390 -1.874 446 HA THR 57 HA THR 57 -6.040 6.012 -4.756 447 HB THR 57 HB THR 57 -8.713 6.104 -3.430 448 HG1 THR 57 1HG THR 57 -7.471 4.435 -2.622 449 HG21 THR 57 1HG2 THR 57 -7.810 5.011 -6.041 450 HG22 THR 57 2HG2 THR 57 -8.744 6.523 -5.865 451 HG23 THR 57 3HG2 THR 57 -9.472 4.934 -5.420 452 H GLY 58 H GLY 58 -5.014 7.981 -5.060 453 HA2 GLY 58 2HA GLY 58 -4.830 10.230 -5.591 454 HA3 GLY 58 3HA GLY 58 -6.558 10.448 -5.304 455 H ASP 59 H ASP 59 -7.350 10.548 -3.310 456 HA ASP 59 HA ASP 59 -5.507 11.833 -1.075 457 HB2 ASP 59 2HB ASP 59 -7.268 13.175 -2.837 458 HB3 ASP 59 3HB ASP 59 -8.305 12.886 -1.588 459 H VAL 60 H VAL 60 -7.430 9.138 -1.760 460 HA VAL 60 HA VAL 60 -9.181 9.171 0.661 461 HB VAL 60 HB VAL 60 -9.168 7.443 -1.852 462 HG11 VAL 60 1HG1 VAL 60 -9.866 5.913 -0.102 463 HG12 VAL 60 2HG1 VAL 60 -10.959 7.166 0.589 464 HG13 VAL 60 3HG1 VAL 60 -11.299 6.430 -0.995 465 HG21 VAL 60 1HG2 VAL 60 -10.078 9.661 -2.264 466 HG22 VAL 60 2HG2 VAL 60 -11.369 8.445 -2.310 467 HG23 VAL 60 3HG2 VAL 60 -11.199 9.473 -0.881 468 H VAL 61 H VAL 61 -7.920 8.521 2.270 469 HA VAL 61 HA VAL 61 -6.046 6.299 2.070 470 HB VAL 61 HB VAL 61 -5.659 8.198 3.433 471 HG11 VAL 61 1HG1 VAL 61 -6.767 8.716 5.514 472 HG12 VAL 61 2HG1 VAL 61 -8.050 8.543 4.290 473 HG13 VAL 61 3HG1 VAL 61 -7.731 7.237 5.435 474 HG21 VAL 61 1HG2 VAL 61 -4.717 7.054 5.355 475 HG22 VAL 61 2HG2 VAL 61 -5.856 5.724 5.157 476 HG23 VAL 61 3HG2 VAL 61 -4.596 5.990 3.922 477 H LEU 62 H LEU 62 -7.167 4.625 1.304 478 HA LEU 62 HA LEU 62 -9.362 3.500 2.910 479 HB2 LEU 62 2HB LEU 62 -9.440 3.627 0.436 480 HB3 LEU 62 3HB LEU 62 -8.101 2.575 0.311 481 HG LEU 62 HG LEU 62 -9.900 1.211 -0.133 482 HD11 LEU 62 1HD1 LEU 62 -8.671 0.005 1.594 483 HD12 LEU 62 2HD1 LEU 62 -10.388 -0.403 1.590 484 HD13 LEU 62 3HD1 LEU 62 -9.756 0.674 2.843 485 HD21 LEU 62 1HD2 LEU 62 -11.647 2.872 0.449 486 HD22 LEU 62 2HD2 LEU 62 -11.464 2.469 2.172 487 HD23 LEU 62 3HD2 LEU 62 -12.088 1.260 1.029 488 H LYS 63 H LYS 63 -8.194 3.266 4.744 489 HA LYS 63 HA LYS 63 -6.100 1.486 5.335 490 HB2 LYS 63 2HB LYS 63 -7.267 1.351 7.608 491 HB3 LYS 63 3HB LYS 63 -6.799 2.936 7.012 492 HG2 LYS 63 2HG LYS 63 -9.098 3.459 6.335 493 HG3 LYS 63 3HG LYS 63 -9.651 1.907 6.974 494 HD2 LYS 63 2HD LYS 63 -8.080 3.907 8.667 495 HD3 LYS 63 3HD LYS 63 -9.814 4.079 8.451 496 HE2 LYS 63 2HE LYS 63 -8.755 1.361 9.257 497 HE3 LYS 63 3HE LYS 63 -8.766 2.654 10.475 498 HZ1 LYS 63 1HZ LYS 63 -11.233 2.202 8.940 499 HZ2 LYS 63 2HZ LYS 63 -11.039 2.924 10.390 500 HZ3 LYS 63 3HZ LYS 63 -10.919 1.290 10.266 501 H PHE 64 H PHE 64 -5.781 -0.632 5.340 502 HA PHE 64 HA PHE 64 -7.999 -2.551 4.796 503 HB2 PHE 64 2HB PHE 64 -5.055 -2.890 4.747 504 HB3 PHE 64 3HB PHE 64 -6.148 -4.089 4.459 505 HD1 PHE 64 1HD PHE 64 -4.077 -1.975 2.782 506 HD2 PHE 64 2HD PHE 64 -8.209 -3.173 2.703 507 HE1 PHE 64 1HE PHE 64 -4.197 -1.309 0.399 508 HE2 PHE 64 2HE PHE 64 -8.373 -2.448 0.358 509 HZ PHE 64 HZ PHE 64 -6.382 -1.497 -0.806 510 H ALA 65 H ALA 65 -8.752 -3.870 6.515 511 HA ALA 65 HA ALA 65 -7.553 -3.899 9.136 512 HB1 ALA 65 1HB ALA 65 -9.952 -4.460 8.559 513 HB2 ALA 65 2HB ALA 65 -9.337 -5.976 7.819 514 HB3 ALA 65 3HB ALA 65 -9.133 -5.688 9.547 515 H THR 66 H THR 66 -6.244 -5.300 6.383 516 HA THR 66 HA THR 66 -4.565 -7.212 7.775 517 HB THR 66 HB THR 66 -6.186 -8.402 5.549 518 HG1 THR 66 1HG THR 66 -7.300 -8.216 8.137 519 HG21 THR 66 1HG2 THR 66 -5.437 -9.607 8.183 520 HG22 THR 66 2HG2 THR 66 -4.530 -9.749 6.635 521 HG23 THR 66 3HG2 THR 66 -6.175 -10.411 6.743 522 H VAL 67 H VAL 67 -2.922 -7.871 6.648 523 HA VAL 67 HA VAL 67 -2.206 -5.784 4.871 524 HB VAL 67 HB VAL 67 -0.137 -6.448 5.217 525 HG11 VAL 67 1HG1 VAL 67 -1.428 -7.625 7.623 526 HG12 VAL 67 2HG1 VAL 67 0.204 -6.918 7.514 527 HG13 VAL 67 3HG1 VAL 67 -1.229 -5.888 7.267 528 HG21 VAL 67 1HG2 VAL 67 0.689 -8.743 5.820 529 HG22 VAL 67 2HG2 VAL 67 -0.943 -9.332 5.441 530 HG23 VAL 67 3HG2 VAL 67 0.055 -8.542 4.179 531 H SER 68 H SER 68 -2.938 -9.148 4.420 532 HA SER 68 HA SER 68 -2.595 -9.310 1.606 533 HB2 SER 68 2HB SER 68 -4.367 -11.049 3.320 534 HB3 SER 68 3HB SER 68 -3.614 -11.481 1.783 535 HG SER 68 HG SER 68 -1.713 -11.779 2.802 536 H LYS 69 H LYS 69 -5.281 -7.843 3.402 537 HA LYS 69 HA LYS 69 -7.158 -7.834 1.231 538 HB2 LYS 69 2HB LYS 69 -6.506 -5.432 2.916 539 HB3 LYS 69 3HB LYS 69 -8.019 -5.842 2.125 540 HG2 LYS 69 2HG LYS 69 -7.462 -7.966 3.974 541 HG3 LYS 69 3HG LYS 69 -7.032 -6.450 4.800 542 HD2 LYS 69 2HD LYS 69 -9.207 -6.548 5.403 543 HD3 LYS 69 3HD LYS 69 -9.123 -5.456 3.979 544 HE2 LYS 69 2HE LYS 69 -9.385 -7.797 2.664 545 HE3 LYS 69 3HE LYS 69 -9.666 -8.498 4.198 546 HZ1 LYS 69 1HZ LYS 69 -11.727 -6.983 4.356 547 HZ2 LYS 69 2HZ LYS 69 -11.829 -8.052 3.089 548 HZ3 LYS 69 3HZ LYS 69 -11.418 -6.515 2.812 549 H ALA 70 H ALA 70 -4.381 -5.685 1.923 550 HA ALA 70 HA ALA 70 -4.535 -4.115 -0.411 551 HB1 ALA 70 1HB ALA 70 -2.424 -3.356 0.249 552 HB2 ALA 70 2HB ALA 70 -3.095 -3.971 1.762 553 HB3 ALA 70 3HB ALA 70 -1.911 -4.947 0.851 554 H ARG 71 H ARG 71 -3.470 -7.460 -0.205 555 HA ARG 71 HA ARG 71 -2.124 -7.558 -2.814 556 HB2 ARG 71 2HB ARG 71 -1.740 -9.180 -0.823 557 HB3 ARG 71 3HB ARG 71 -3.255 -9.904 -1.281 558 HG2 ARG 71 2HG ARG 71 -2.403 -10.860 -3.213 559 HG3 ARG 71 3HG ARG 71 -1.301 -9.537 -3.501 560 HD2 ARG 71 2HD ARG 71 0.096 -11.346 -3.048 561 HD3 ARG 71 3HD ARG 71 0.122 -10.324 -1.603 562 HE ARG 71 HE ARG 71 -1.661 -12.732 -1.749 563 HH11 ARG 71 1HH1 ARG 71 1.510 -12.772 0.657 564 HH12 ARG 71 2HH1 ARG 71 1.447 -11.545 -0.574 565 HH21 ARG 71 1HH2 ARG 71 0.035 -14.311 0.829 566 HH22 ARG 71 2HH2 ARG 71 -1.361 -14.351 -0.228 567 H ALA 72 H ALA 72 -5.300 -8.546 -1.547 568 HA ALA 72 HA ALA 72 -6.338 -9.319 -4.143 569 HB1 ALA 72 1HB ALA 72 -7.679 -8.623 -1.478 570 HB2 ALA 72 2HB ALA 72 -8.425 -9.504 -2.837 571 HB3 ALA 72 3HB ALA 72 -7.064 -10.226 -1.957 572 H TYR 73 H TYR 73 -5.945 -6.228 -2.513 573 HA TYR 73 HA TYR 73 -7.957 -4.777 -4.039 574 HB2 TYR 73 2HB TYR 73 -7.103 -4.066 -1.787 575 HB3 TYR 73 3HB TYR 73 -5.534 -3.714 -2.525 576 HD1 TYR 73 1HD TYR 73 -5.449 -2.016 -4.457 577 HD2 TYR 73 2HD TYR 73 -8.905 -2.509 -1.929 578 HE1 TYR 73 1HE TYR 73 -6.550 -0.164 -5.608 579 HE2 TYR 73 2HE TYR 73 -9.934 -0.481 -2.920 580 HH TYR 73 HH TYR 73 -8.680 0.710 -5.979 581 H LEU 74 H LEU 74 -4.415 -5.309 -4.313 582 HA LEU 74 HA LEU 74 -3.943 -3.793 -6.554 583 HB2 LEU 74 2HB LEU 74 -2.725 -5.999 -5.052 584 HB3 LEU 74 3HB LEU 74 -2.506 -6.320 -6.731 585 HG LEU 74 HG LEU 74 -1.365 -4.171 -7.083 586 HD11 LEU 74 1HD1 LEU 74 -0.791 -2.712 -5.176 587 HD12 LEU 74 2HD1 LEU 74 -1.749 -3.729 -4.095 588 HD13 LEU 74 3HD1 LEU 74 -2.552 -2.788 -5.349 589 HD21 LEU 74 1HD2 LEU 74 -0.324 -5.652 -4.631 590 HD22 LEU 74 2HD2 LEU 74 0.628 -4.612 -5.711 591 HD23 LEU 74 3HD2 LEU 74 -0.047 -6.145 -6.322 592 H GLU 75 H GLU 75 -5.670 -6.818 -6.439 593 HA GLU 75 HA GLU 75 -6.109 -6.642 -9.380 594 HB2 GLU 75 2HB GLU 75 -6.818 -9.081 -9.190 595 HB3 GLU 75 3HB GLU 75 -5.111 -8.649 -9.092 596 HG2 GLU 75 2HG GLU 75 -5.127 -8.905 -6.645 597 HG3 GLU 75 3HG GLU 75 -6.825 -9.337 -6.670 598 H THR 76 H THR 76 -7.516 -5.499 -6.769 599 HA THR 76 HA THR 76 -10.195 -5.541 -8.027 600 HB THR 76 HB THR 76 -9.874 -5.369 -5.014 601 HG1 THR 76 1HG THR 76 -9.243 -7.366 -5.644 602 HG21 THR 76 1HG2 THR 76 -12.146 -5.946 -6.956 603 HG22 THR 76 2HG2 THR 76 -11.912 -4.424 -6.060 604 HG23 THR 76 3HG2 THR 76 -12.276 -5.925 -5.160 605 H LYS 77 H LYS 77 -9.065 -3.866 -9.064 606 HA LYS 77 HA LYS 77 -9.058 -1.839 -9.878 607 HB2 LYS 77 2HB LYS 77 -11.243 -1.753 -7.908 608 HB3 LYS 77 3HB LYS 77 -10.650 -0.148 -8.365 609 HG2 LYS 77 2HG LYS 77 -12.345 -0.621 -9.927 610 HG3 LYS 77 3HG LYS 77 -10.822 -0.838 -10.778 611 HD2 LYS 77 2HD LYS 77 -11.133 -3.397 -10.119 612 HD3 LYS 77 3HD LYS 77 -12.807 -2.938 -9.813 613 HE2 LYS 77 2HE LYS 77 -11.171 -2.982 -12.348 614 HE3 LYS 77 3HE LYS 77 -12.712 -3.774 -12.074 615 HZ1 LYS 77 1HZ LYS 77 -12.707 -1.763 -13.553 616 HZ2 LYS 77 2HZ LYS 77 -12.411 -0.818 -12.258 617 HZ3 LYS 77 3HZ LYS 77 -13.840 -1.658 -12.350 Start of MODEL 20 1 H2 SER 1 2H SER 1 1.483 -10.683 15.502 2 H3 SER 1 3H SER 1 0.502 -9.484 14.969 3 HA SER 1 HA SER 1 3.332 -9.770 14.270 4 HB2 SER 1 2HB SER 1 2.457 -10.245 12.001 5 HB3 SER 1 3HB SER 1 1.859 -11.417 13.186 6 HG SER 1 HG SER 1 0.017 -10.812 12.189 7 H HIS 2 H HIS 2 3.855 -8.085 12.326 8 HA HIS 2 HA HIS 2 2.100 -6.014 11.631 9 HB2 HIS 2 2HB HIS 2 3.104 -4.010 12.695 10 HB3 HIS 2 3HB HIS 2 2.246 -4.967 13.831 11 HD1 HIS 2 1HD HIS 2 5.310 -3.069 13.715 12 HD2 HIS 2 2HD HIS 2 3.751 -6.545 15.543 13 HE1 HIS 2 1HE HIS 2 6.555 -3.433 15.843 14 H MET 3 H MET 3 5.332 -4.870 12.183 15 HA MET 3 HA MET 3 6.466 -4.626 9.646 16 HB2 MET 3 2HB MET 3 8.508 -4.358 10.827 17 HB3 MET 3 3HB MET 3 7.231 -3.662 11.809 18 HG2 MET 3 2HG MET 3 7.183 -5.667 13.244 19 HG3 MET 3 3HG MET 3 8.404 -6.459 12.233 20 HE1 MET 3 1HE MET 3 11.677 -4.707 13.060 21 HE2 MET 3 2HE MET 3 10.872 -6.086 12.277 22 HE3 MET 3 3HE MET 3 10.654 -4.435 11.641 23 H THR 4 H THR 4 5.511 -7.549 10.343 24 HA THR 4 HA THR 4 7.802 -8.904 8.984 25 HB THR 4 HB THR 4 7.396 -9.739 11.103 26 HG1 THR 4 1HG THR 4 8.069 -11.064 9.352 27 HG21 THR 4 1HG2 THR 4 4.918 -9.461 11.368 28 HG22 THR 4 2HG2 THR 4 5.585 -10.998 11.923 29 HG23 THR 4 3HG2 THR 4 4.730 -10.930 10.387 30 H ALA 5 H ALA 5 4.247 -9.238 9.284 31 HA ALA 5 HA ALA 5 4.002 -10.512 6.732 32 HB1 ALA 5 1HB ALA 5 2.630 -10.806 8.769 33 HB2 ALA 5 2HB ALA 5 2.011 -9.144 8.639 34 HB3 ALA 5 3HB ALA 5 1.608 -10.358 7.380 35 H VAL 6 H VAL 6 3.353 -7.133 7.809 36 HA VAL 6 HA VAL 6 2.731 -5.987 5.365 37 HB VAL 6 HB VAL 6 2.834 -5.099 7.845 38 HG11 VAL 6 1HG1 VAL 6 5.317 -5.151 7.988 39 HG12 VAL 6 2HG1 VAL 6 5.398 -3.828 6.806 40 HG13 VAL 6 3HG1 VAL 6 4.613 -3.572 8.365 41 HG21 VAL 6 1HG2 VAL 6 1.679 -3.929 6.156 42 HG22 VAL 6 2HG2 VAL 6 2.676 -2.769 7.005 43 HG23 VAL 6 3HG2 VAL 6 3.183 -3.339 5.398 44 H GLN 7 H GLN 7 5.949 -6.970 6.657 45 HA GLN 7 HA GLN 7 7.417 -5.376 4.685 46 HB2 GLN 7 2HB GLN 7 8.111 -5.928 7.061 47 HB3 GLN 7 3HB GLN 7 8.269 -7.611 6.600 48 HG2 GLN 7 2HG GLN 7 10.456 -6.512 6.663 49 HG3 GLN 7 3HG GLN 7 10.091 -7.148 5.057 50 HE21 GLN 7 1HE2 GLN 7 8.755 -4.122 6.464 51 HE22 GLN 7 2HE2 GLN 7 9.006 -3.426 4.889 52 H ASP 8 H ASP 8 6.891 -8.704 5.256 53 HA ASP 8 HA ASP 8 7.712 -10.074 2.920 54 HB2 ASP 8 2HB ASP 8 6.951 -11.192 4.916 55 HB3 ASP 8 3HB ASP 8 5.351 -10.482 4.793 56 H PHE 9 H PHE 9 4.398 -8.752 3.490 57 HA PHE 9 HA PHE 9 3.465 -8.992 0.839 58 HB2 PHE 9 2HB PHE 9 1.946 -8.384 2.785 59 HB3 PHE 9 3HB PHE 9 2.850 -6.879 2.926 60 HD1 PHE 9 1HD PHE 9 1.015 -8.802 0.262 61 HD2 PHE 9 2HD PHE 9 2.191 -4.956 1.776 62 HE1 PHE 9 1HE PHE 9 -0.065 -7.683 -1.658 63 HE2 PHE 9 2HE PHE 9 1.042 -3.871 -0.123 64 HZ PHE 9 HZ PHE 9 -0.151 -5.222 -1.827 65 H VAL 10 H VAL 10 5.083 -6.152 2.357 66 HA VAL 10 HA VAL 10 5.086 -4.523 0.076 67 HB VAL 10 HB VAL 10 6.940 -4.624 2.434 68 HG11 VAL 10 1HG1 VAL 10 8.451 -3.797 0.727 69 HG12 VAL 10 2HG1 VAL 10 7.212 -2.683 0.098 70 HG13 VAL 10 3HG1 VAL 10 7.919 -2.425 1.707 71 HG21 VAL 10 1HG2 VAL 10 4.508 -3.636 2.428 72 HG22 VAL 10 2HG2 VAL 10 5.814 -2.651 3.124 73 HG23 VAL 10 3HG2 VAL 10 5.205 -2.311 1.495 74 H VAL 11 H VAL 11 7.711 -6.920 0.920 75 HA VAL 11 HA VAL 11 9.090 -6.240 -1.507 76 HB VAL 11 HB VAL 11 10.137 -8.755 -0.951 77 HG11 VAL 11 1HG1 VAL 11 11.377 -6.747 -1.655 78 HG12 VAL 11 2HG1 VAL 11 11.057 -5.938 -0.106 79 HG13 VAL 11 3HG1 VAL 11 12.085 -7.394 -0.175 80 HG21 VAL 11 1HG2 VAL 11 8.960 -8.655 1.265 81 HG22 VAL 11 2HG2 VAL 11 10.727 -8.588 1.429 82 HG23 VAL 11 3HG2 VAL 11 9.783 -7.085 1.558 83 H ASP 12 H ASP 12 6.405 -8.284 -1.147 84 HA ASP 12 HA ASP 12 6.709 -9.830 -3.536 85 HB2 ASP 12 2HB ASP 12 4.928 -9.948 -1.638 86 HB3 ASP 12 3HB ASP 12 4.112 -8.642 -2.558 87 H ILE 13 H ILE 13 5.596 -6.507 -3.016 88 HA ILE 13 HA ILE 13 5.253 -5.664 -5.916 89 HB ILE 13 HB ILE 13 5.251 -4.173 -3.326 90 HG12 ILE 13 2HG1 ILE 13 2.907 -3.700 -3.955 91 HG13 ILE 13 3HG1 ILE 13 3.022 -4.875 -5.269 92 HG21 ILE 13 1HG2 ILE 13 4.951 -3.378 -6.266 93 HG22 ILE 13 2HG2 ILE 13 4.527 -2.324 -4.893 94 HG23 ILE 13 3HG2 ILE 13 6.186 -2.803 -5.139 95 HD11 ILE 13 1HD1 ILE 13 3.167 -6.689 -3.659 96 HD12 ILE 13 2HD1 ILE 13 3.345 -5.520 -2.313 97 HD13 ILE 13 3HD1 ILE 13 1.823 -5.651 -3.225 98 H LEU 14 H LEU 14 7.549 -5.235 -3.116 99 HA LEU 14 HA LEU 14 8.811 -3.175 -4.423 100 HB2 LEU 14 2HB LEU 14 8.916 -4.196 -1.788 101 HB3 LEU 14 3HB LEU 14 10.456 -4.579 -2.375 102 HG LEU 14 HG LEU 14 9.191 -1.836 -2.119 103 HD11 LEU 14 1HD1 LEU 14 11.204 -1.369 -0.769 104 HD12 LEU 14 2HD1 LEU 14 11.843 -2.995 -1.123 105 HD13 LEU 14 3HD1 LEU 14 10.362 -2.807 -0.153 106 HD21 LEU 14 1HD2 LEU 14 11.322 -0.898 -3.138 107 HD22 LEU 14 2HD2 LEU 14 10.222 -1.675 -4.288 108 HD23 LEU 14 3HD2 LEU 14 11.678 -2.533 -3.733 109 H LEU 15 H LEU 15 10.057 -6.499 -3.927 110 HA LEU 15 HA LEU 15 12.272 -5.945 -5.855 111 HB2 LEU 15 2HB LEU 15 11.845 -7.982 -3.672 112 HB3 LEU 15 3HB LEU 15 12.851 -8.428 -4.995 113 HG LEU 15 HG LEU 15 14.010 -7.472 -2.903 114 HD11 LEU 15 1HD1 LEU 15 14.691 -6.412 -5.674 115 HD12 LEU 15 2HD1 LEU 15 15.155 -7.994 -5.003 116 HD13 LEU 15 3HD1 LEU 15 15.810 -6.507 -4.293 117 HD21 LEU 15 1HD2 LEU 15 14.442 -5.085 -2.824 118 HD22 LEU 15 2HD2 LEU 15 12.701 -5.338 -2.676 119 HD23 LEU 15 3HD2 LEU 15 13.387 -4.786 -4.216 120 H ASN 16 H ASN 16 9.706 -8.333 -5.107 121 HA ASN 16 HA ASN 16 10.266 -9.750 -7.554 122 HB2 ASN 16 2HB ASN 16 8.010 -10.210 -5.570 123 HB3 ASN 16 3HB ASN 16 8.595 -11.340 -6.801 124 HD21 ASN 16 1HD2 ASN 16 9.092 -10.106 -3.607 125 HD22 ASN 16 2HD2 ASN 16 10.461 -11.144 -3.226 126 H GLY 17 H GLY 17 8.241 -7.042 -6.936 127 HA2 GLY 17 2HA GLY 17 7.040 -5.830 -8.455 128 HA3 GLY 17 3HA GLY 17 7.130 -7.100 -9.635 129 H ALA 18 H ALA 18 5.079 -5.331 -8.589 130 HA ALA 18 HA ALA 18 2.967 -6.763 -7.322 131 HB1 ALA 18 1HB ALA 18 1.659 -4.757 -7.984 132 HB2 ALA 18 2HB ALA 18 3.273 -4.243 -7.462 133 HB3 ALA 18 3HB ALA 18 2.900 -4.335 -9.200 134 H ARG 19 H ARG 19 0.804 -6.783 -8.414 135 HA ARG 19 HA ARG 19 0.319 -7.969 -10.979 136 HB2 ARG 19 2HB ARG 19 -1.146 -6.915 -8.714 137 HB3 ARG 19 3HB ARG 19 -1.696 -6.025 -10.085 138 HG2 ARG 19 2HG ARG 19 -3.050 -7.826 -10.026 139 HG3 ARG 19 3HG ARG 19 -1.952 -8.290 -11.277 140 HD2 ARG 19 2HD ARG 19 -0.814 -9.255 -8.839 141 HD3 ARG 19 3HD ARG 19 -2.545 -9.640 -8.723 142 HE ARG 19 HE ARG 19 -0.538 -10.683 -10.669 143 HH11 ARG 19 1HH1 ARG 19 -4.270 -12.169 -10.877 144 HH12 ARG 19 2HH1 ARG 19 -3.950 -11.113 -9.554 145 HH21 ARG 19 1HH2 ARG 19 -2.485 -12.923 -12.217 146 HH22 ARG 19 2HH2 ARG 19 -0.934 -12.118 -12.027 147 H ASP 20 H ASP 20 -1.328 -5.962 -12.139 148 HA ASP 20 HA ASP 20 -0.041 -4.665 -14.080 149 HB2 ASP 20 2HB ASP 20 -2.512 -5.011 -13.497 150 HB3 ASP 20 3HB ASP 20 -2.370 -3.563 -12.447 151 H TRP 21 H TRP 21 0.397 -3.640 -10.814 152 HA TRP 21 HA TRP 21 0.371 -0.814 -11.261 153 HB2 TRP 21 2HB TRP 21 1.517 -2.244 -8.800 154 HB3 TRP 21 3HB TRP 21 1.111 -0.596 -8.991 155 HD1 TRP 21 1HD TRP 21 -1.326 -3.492 -9.968 156 HE1 TRP 21 1HE TRP 21 -3.559 -3.057 -8.835 157 HE3 TRP 21 3HE TRP 21 0.039 0.507 -7.178 158 HZ2 TRP 21 2HZ TRP 21 -4.685 -0.976 -7.123 159 HZ3 TRP 21 3HZ TRP 21 -1.715 1.855 -5.943 160 HH2 TRP 21 2HH TRP 21 -3.925 1.031 -5.755 161 H ASP 22 H ASP 22 2.134 0.619 -10.728 162 HA ASP 22 HA ASP 22 4.764 -0.224 -11.871 163 HB2 ASP 22 2HB ASP 22 3.379 1.833 -12.808 164 HB3 ASP 22 3HB ASP 22 4.025 2.675 -11.390 165 H VAL 23 H VAL 23 6.706 0.729 -10.526 166 HA VAL 23 HA VAL 23 6.034 -0.309 -7.856 167 HB VAL 23 HB VAL 23 7.500 -1.565 -9.977 168 HG11 VAL 23 1HG1 VAL 23 9.722 -2.042 -9.171 169 HG12 VAL 23 2HG1 VAL 23 9.507 -0.415 -9.817 170 HG13 VAL 23 3HG1 VAL 23 9.602 -0.678 -8.045 171 HG21 VAL 23 1HG2 VAL 23 7.696 -3.338 -8.452 172 HG22 VAL 23 2HG2 VAL 23 7.313 -2.227 -7.088 173 HG23 VAL 23 3HG2 VAL 23 6.127 -2.480 -8.424 174 H LEU 24 H LEU 24 6.184 1.354 -6.748 175 HA LEU 24 HA LEU 24 8.140 3.488 -7.580 176 HB2 LEU 24 2HB LEU 24 5.326 3.605 -7.446 177 HB3 LEU 24 3HB LEU 24 5.920 4.483 -6.226 178 HG LEU 24 HG LEU 24 7.051 4.729 -9.057 179 HD11 LEU 24 1HD1 LEU 24 4.745 5.222 -9.014 180 HD12 LEU 24 2HD1 LEU 24 5.667 6.727 -9.249 181 HD13 LEU 24 3HD1 LEU 24 4.953 6.357 -7.640 182 HD21 LEU 24 1HD2 LEU 24 8.674 5.686 -7.504 183 HD22 LEU 24 2HD2 LEU 24 7.394 6.565 -6.631 184 HD23 LEU 24 3HD2 LEU 24 7.830 7.013 -8.290 185 H GLN 25 H GLN 25 9.179 4.684 -6.083 186 HA GLN 25 HA GLN 25 8.585 4.001 -3.269 187 HB2 GLN 25 2HB GLN 25 11.308 4.897 -4.370 188 HB3 GLN 25 3HB GLN 25 10.927 4.586 -2.678 189 HG2 GLN 25 2HG GLN 25 10.757 2.478 -4.874 190 HG3 GLN 25 3HG GLN 25 12.215 2.772 -3.950 191 HE21 GLN 25 1HE2 GLN 25 8.752 1.703 -3.627 192 HE22 GLN 25 2HE2 GLN 25 9.163 0.649 -2.304 193 H THR 26 H THR 26 6.995 5.491 -3.349 194 HA THR 26 HA THR 26 8.075 8.187 -2.769 195 HB THR 26 HB THR 26 7.215 8.363 -5.003 196 HG1 THR 26 1HG THR 26 5.924 10.130 -4.596 197 HG21 THR 26 1HG2 THR 26 4.465 7.628 -3.908 198 HG22 THR 26 2HG2 THR 26 5.422 6.632 -5.058 199 HG23 THR 26 3HG2 THR 26 4.844 8.228 -5.531 200 H THR 27 H THR 27 5.860 9.424 -1.715 201 HA THR 27 HA THR 27 4.865 7.723 0.481 202 HB THR 27 HB THR 27 5.562 9.540 2.117 203 HG1 THR 27 1HG THR 27 6.203 10.859 0.220 204 HG21 THR 27 1HG2 THR 27 6.734 7.380 2.242 205 HG22 THR 27 2HG2 THR 27 7.871 8.712 2.463 206 HG23 THR 27 3HG2 THR 27 7.802 7.857 0.908 207 H CYS 28 H CYS 28 2.980 8.602 1.207 208 HA CYS 28 HA CYS 28 1.955 11.064 -0.119 209 HB2 CYS 28 2HB CYS 28 1.323 9.035 -1.114 210 HB3 CYS 28 3HB CYS 28 0.719 8.336 0.321 211 HG CYS 28 HG CYS 28 -1.305 10.113 0.547 212 H THR 29 H THR 29 0.348 12.188 0.920 213 HA THR 29 HA THR 29 0.592 11.768 3.807 214 HB THR 29 HB THR 29 0.566 14.391 2.204 215 HG1 THR 29 1HG THR 29 2.748 14.391 2.463 216 HG21 THR 29 1HG2 THR 29 -0.144 14.892 4.453 217 HG22 THR 29 2HG2 THR 29 1.530 15.418 4.288 218 HG23 THR 29 3HG2 THR 29 1.149 13.907 5.155 219 H VAL 30 H VAL 30 -1.217 11.433 4.779 220 HA VAL 30 HA VAL 30 -3.731 12.855 4.122 221 HB VAL 30 HB VAL 30 -3.671 9.837 3.659 222 HG11 VAL 30 1HG1 VAL 30 -5.901 11.935 3.463 223 HG12 VAL 30 2HG1 VAL 30 -5.988 10.320 2.715 224 HG13 VAL 30 3HG1 VAL 30 -5.845 10.449 4.450 225 HG21 VAL 30 1HG2 VAL 30 -2.652 10.873 1.711 226 HG22 VAL 30 2HG2 VAL 30 -4.292 10.414 1.304 227 HG23 VAL 30 3HG2 VAL 30 -3.936 12.112 1.627 228 H ASP 31 H ASP 31 -5.530 12.434 5.665 229 HA ASP 31 HA ASP 31 -6.162 12.736 7.810 230 HB2 ASP 31 2HB ASP 31 -4.878 10.039 7.831 231 HB3 ASP 31 3HB ASP 31 -5.228 10.719 9.396 232 H ARG 32 H ARG 32 -3.607 13.865 6.947 233 HA ARG 32 HA ARG 32 -2.038 15.361 7.730 234 HB2 ARG 32 2HB ARG 32 -3.060 14.825 10.543 235 HB3 ARG 32 3HB ARG 32 -1.913 16.026 10.110 236 HG2 ARG 32 2HG ARG 32 -3.370 17.363 8.938 237 HG3 ARG 32 3HG ARG 32 -4.568 16.067 8.700 238 HD2 ARG 32 2HD ARG 32 -3.995 16.924 11.559 239 HD3 ARG 32 3HD ARG 32 -4.921 18.004 10.520 240 HE ARG 32 HE ARG 32 -5.903 15.624 11.729 241 HH11 ARG 32 1HH1 ARG 32 -7.850 16.961 8.449 242 HH12 ARG 32 2HH1 ARG 32 -6.316 17.688 8.865 243 HH21 ARG 32 1HH2 ARG 32 -8.747 15.460 9.707 244 HH22 ARG 32 2HH2 ARG 32 -7.898 14.746 11.081 245 H LYS 33 H LYS 33 -1.913 12.307 7.627 246 HA LYS 33 HA LYS 33 0.471 11.658 9.273 247 HB2 LYS 33 2HB LYS 33 -2.061 10.280 8.999 248 HB3 LYS 33 3HB LYS 33 -0.925 9.355 8.106 249 HG2 LYS 33 2HG LYS 33 -0.328 10.272 10.933 250 HG3 LYS 33 3HG LYS 33 -1.397 8.939 10.622 251 HD2 LYS 33 2HD LYS 33 1.499 8.931 9.745 252 HD3 LYS 33 3HD LYS 33 0.882 8.195 11.216 253 HE2 LYS 33 2HE LYS 33 0.036 7.458 8.379 254 HE3 LYS 33 3HE LYS 33 1.145 6.510 9.416 255 HZ1 LYS 33 1HZ LYS 33 -1.752 6.703 9.539 256 HZ2 LYS 33 2HZ LYS 33 -0.922 6.472 10.974 257 HZ3 LYS 33 3HZ LYS 33 -0.737 5.441 9.742 258 H VAL 34 H VAL 34 1.682 9.931 8.075 259 HA VAL 34 HA VAL 34 1.693 10.425 5.130 260 HB VAL 34 HB VAL 34 3.960 10.678 6.984 261 HG11 VAL 34 1HG1 VAL 34 5.493 10.899 4.973 262 HG12 VAL 34 2HG1 VAL 34 4.822 9.280 5.122 263 HG13 VAL 34 3HG1 VAL 34 4.126 10.419 3.949 264 HG21 VAL 34 1HG2 VAL 34 4.416 12.838 5.902 265 HG22 VAL 34 2HG2 VAL 34 2.992 12.567 4.899 266 HG23 VAL 34 3HG2 VAL 34 2.813 12.764 6.648 267 H TYR 35 H TYR 35 1.982 8.689 4.010 268 HA TYR 35 HA TYR 35 2.570 6.072 5.337 269 HB2 TYR 35 2HB TYR 35 0.758 6.634 2.949 270 HB3 TYR 35 3HB TYR 35 1.027 5.088 3.754 271 HD1 TYR 35 1HD TYR 35 0.255 4.682 6.023 272 HD2 TYR 35 2HD TYR 35 -0.696 8.305 3.858 273 HE1 TYR 35 1HE TYR 35 -1.571 5.159 7.671 274 HE2 TYR 35 2HE TYR 35 -2.515 8.823 5.543 275 HH TYR 35 HH TYR 35 -3.552 8.152 7.495 276 H LYS 36 H LYS 36 3.831 4.677 4.067 277 HA LYS 36 HA LYS 36 5.235 6.012 1.837 278 HB2 LYS 36 2HB LYS 36 6.252 3.506 2.919 279 HB3 LYS 36 3HB LYS 36 7.073 4.896 2.333 280 HG2 LYS 36 2HG LYS 36 6.893 6.063 4.425 281 HG3 LYS 36 3HG LYS 36 5.868 4.823 5.101 282 HD2 LYS 36 2HD LYS 36 8.275 4.833 5.874 283 HD3 LYS 36 3HD LYS 36 7.586 3.273 5.394 284 HE2 LYS 36 2HE LYS 36 8.761 3.267 3.298 285 HE3 LYS 36 3HE LYS 36 9.233 4.955 3.474 286 HZ1 LYS 36 1HZ LYS 36 10.672 4.315 5.350 287 HZ2 LYS 36 2HZ LYS 36 11.080 3.485 3.988 288 HZ3 LYS 36 3HZ LYS 36 10.225 2.745 5.194 289 H THR 37 H THR 37 5.244 5.220 -0.199 290 HA THR 37 HA THR 37 3.033 3.390 -0.716 291 HB THR 37 HB THR 37 2.555 4.445 -2.667 292 HG1 THR 37 1HG THR 37 5.184 5.373 -2.473 293 HG21 THR 37 1HG2 THR 37 2.100 6.647 -2.171 294 HG22 THR 37 2HG2 THR 37 3.704 6.985 -1.538 295 HG23 THR 37 3HG2 THR 37 2.533 6.137 -0.526 296 H ILE 38 H ILE 38 3.278 1.655 -2.066 297 HA ILE 38 HA ILE 38 6.132 0.839 -2.580 298 HB ILE 38 HB ILE 38 3.842 -1.068 -3.144 299 HG12 ILE 38 2HG1 ILE 38 4.530 -0.281 -0.244 300 HG13 ILE 38 3HG1 ILE 38 2.989 -0.075 -1.037 301 HG21 ILE 38 1HG2 ILE 38 5.675 -2.568 -2.046 302 HG22 ILE 38 2HG2 ILE 38 6.411 -1.521 -3.253 303 HG23 ILE 38 3HG2 ILE 38 6.544 -1.126 -1.545 304 HD11 ILE 38 1HD1 ILE 38 2.680 -2.464 -1.380 305 HD12 ILE 38 2HD1 ILE 38 4.196 -2.785 -0.530 306 HD13 ILE 38 3HD1 ILE 38 2.854 -2.044 0.345 307 H CYS 39 H CYS 39 3.041 1.297 -4.029 308 HA CYS 39 HA CYS 39 4.109 1.128 -6.711 309 HB2 CYS 39 2HB CYS 39 2.604 -0.915 -7.247 310 HB3 CYS 39 3HB CYS 39 3.816 -1.041 -6.579 311 HG CYS 39 HG CYS 39 0.917 -0.448 -5.043 312 H LYS 40 H LYS 40 2.914 1.914 -8.183 313 HA LYS 40 HA LYS 40 0.530 3.209 -7.286 314 HB2 LYS 40 2HB LYS 40 2.682 4.523 -7.691 315 HB3 LYS 40 3HB LYS 40 2.631 3.957 -9.375 316 HG2 LYS 40 2HG LYS 40 0.230 5.437 -8.530 317 HG3 LYS 40 3HG LYS 40 1.776 6.274 -8.518 318 HD2 LYS 40 2HD LYS 40 2.279 5.671 -10.804 319 HD3 LYS 40 3HD LYS 40 0.696 4.849 -10.872 320 HE2 LYS 40 2HE LYS 40 -0.426 6.985 -10.299 321 HE3 LYS 40 3HE LYS 40 1.112 7.714 -9.951 322 HZ1 LYS 40 1HZ LYS 40 0.288 8.470 -12.029 323 HZ2 LYS 40 2HZ LYS 40 0.199 6.982 -12.663 324 HZ3 LYS 40 3HZ LYS 40 1.682 7.645 -12.302 325 H ARG 41 H ARG 41 -1.304 3.172 -8.538 326 HA ARG 41 HA ARG 41 -0.993 2.462 -11.360 327 HB2 ARG 41 2HB ARG 41 -1.559 0.291 -10.219 328 HB3 ARG 41 3HB ARG 41 -3.107 1.037 -9.733 329 HG2 ARG 41 2HG ARG 41 -3.121 1.566 -12.414 330 HG3 ARG 41 3HG ARG 41 -2.053 0.187 -12.454 331 HD2 ARG 41 2HD ARG 41 -3.634 -1.069 -11.075 332 HD3 ARG 41 3HD ARG 41 -4.817 0.250 -11.114 333 HE ARG 41 HE ARG 41 -4.344 -0.330 -13.783 334 HH11 ARG 41 1HH1 ARG 41 -5.570 -3.808 -12.299 335 HH12 ARG 41 2HH1 ARG 41 -4.660 -2.749 -11.261 336 HH21 ARG 41 1HH2 ARG 41 -5.888 -3.269 -14.460 337 HH22 ARG 41 2HH2 ARG 41 -5.703 -1.634 -14.982 338 H GLY 42 H GLY 42 -1.744 4.059 -12.248 339 HA2 GLY 42 2HA GLY 42 -3.414 5.507 -13.066 340 HA3 GLY 42 3HA GLY 42 -4.565 4.885 -11.891 341 H ASN 43 H ASN 43 -5.178 6.382 -10.499 342 HA ASN 43 HA ASN 43 -3.244 8.458 -9.564 343 HB2 ASN 43 2HB ASN 43 -5.115 9.696 -8.797 344 HB3 ASN 43 3HB ASN 43 -5.503 9.144 -10.420 345 HD21 ASN 43 1HD2 ASN 43 -7.369 7.796 -10.691 346 HD22 ASN 43 2HD2 ASN 43 -8.354 7.385 -9.292 347 H THR 44 H THR 44 -3.758 5.373 -8.837 348 HA THR 44 HA THR 44 -3.999 5.802 -5.867 349 HB THR 44 HB THR 44 -5.899 4.623 -6.712 350 HG1 THR 44 1HG THR 44 -5.663 4.221 -4.728 351 HG21 THR 44 1HG2 THR 44 -5.524 3.203 -8.399 352 HG22 THR 44 2HG2 THR 44 -5.649 2.109 -7.045 353 HG23 THR 44 3HG2 THR 44 -4.040 2.537 -7.674 354 H TYR 45 H TYR 45 -2.879 4.207 -4.450 355 HA TYR 45 HA TYR 45 -0.140 3.845 -5.094 356 HB2 TYR 45 2HB TYR 45 -1.124 6.218 -3.451 357 HB3 TYR 45 3HB TYR 45 0.480 5.506 -3.311 358 HD1 TYR 45 1HD TYR 45 2.247 6.153 -4.786 359 HD2 TYR 45 2HD TYR 45 -1.837 7.013 -5.750 360 HE1 TYR 45 1HE TYR 45 3.029 7.663 -6.578 361 HE2 TYR 45 2HE TYR 45 -1.074 8.622 -7.549 362 HH TYR 45 HH TYR 45 2.398 9.320 -8.087 363 H LEU 46 H LEU 46 -0.034 2.068 -4.044 364 HA LEU 46 HA LEU 46 -1.772 1.446 -1.721 365 HB2 LEU 46 2HB LEU 46 -0.478 0.025 -3.913 366 HB3 LEU 46 3HB LEU 46 0.380 -0.263 -2.560 367 HG LEU 46 HG LEU 46 -1.243 -2.037 -2.898 368 HD11 LEU 46 1HD1 LEU 46 -2.303 -0.535 -0.476 369 HD12 LEU 46 2HD1 LEU 46 -1.054 -1.842 -0.521 370 HD13 LEU 46 3HD1 LEU 46 -2.740 -2.178 -1.009 371 HD21 LEU 46 1HD2 LEU 46 -2.849 -0.546 -4.123 372 HD22 LEU 46 2HD2 LEU 46 -3.384 0.102 -2.551 373 HD23 LEU 46 3HD2 LEU 46 -3.648 -1.603 -2.930 374 H CYS 47 H CYS 47 -1.019 1.914 0.290 375 HA CYS 47 HA CYS 47 1.905 2.337 0.664 376 HB2 CYS 47 2HB CYS 47 -0.157 4.082 2.044 377 HB3 CYS 47 3HB CYS 47 1.540 4.432 1.707 378 HG CYS 47 HG CYS 47 -0.948 4.228 -0.518 379 H PHE 48 H PHE 48 2.455 2.563 3.057 380 HA PHE 48 HA PHE 48 0.699 0.837 4.720 381 HB2 PHE 48 2HB PHE 48 2.510 -0.617 5.261 382 HB3 PHE 48 3HB PHE 48 2.345 -0.559 3.511 383 HD1 PHE 48 1HD PHE 48 4.087 0.256 2.106 384 HD2 PHE 48 2HD PHE 48 4.378 0.656 6.355 385 HE1 PHE 48 1HE PHE 48 6.581 0.529 1.930 386 HE2 PHE 48 2HE PHE 48 6.809 0.950 6.212 387 HZ PHE 48 HZ PHE 48 7.955 0.760 3.983 388 H ASP 49 H ASP 49 1.114 0.674 6.848 389 HA ASP 49 HA ASP 49 2.975 2.625 8.146 390 HB2 ASP 49 2HB ASP 49 0.523 1.324 9.321 391 HB3 ASP 49 3HB ASP 49 1.634 2.241 10.255 392 H ASP 50 H ASP 50 2.979 1.283 10.528 393 HA ASP 50 HA ASP 50 4.556 -0.980 9.938 394 HB2 ASP 50 2HB ASP 50 3.666 0.432 12.366 395 HB3 ASP 50 3HB ASP 50 3.658 -1.251 12.668 396 H THR 51 H THR 51 1.228 -0.653 10.481 397 HA THR 51 HA THR 51 0.894 -3.254 11.761 398 HB THR 51 HB THR 51 -1.418 -2.268 12.196 399 HG1 THR 51 1HG THR 51 -1.886 -0.720 10.887 400 HG21 THR 51 1HG2 THR 51 0.412 -1.811 13.819 401 HG22 THR 51 2HG2 THR 51 -0.754 -0.466 13.643 402 HG23 THR 51 3HG2 THR 51 0.835 -0.359 12.876 403 H ASN 52 H ASN 52 0.370 -1.976 8.588 404 HA ASN 52 HA ASN 52 -1.325 -3.530 7.321 405 HB2 ASN 52 2HB ASN 52 -3.473 -2.447 7.500 406 HB3 ASN 52 3HB ASN 52 -3.139 -3.480 8.877 407 HD21 ASN 52 1HD2 ASN 52 -3.300 -0.105 7.724 408 HD22 ASN 52 2HD2 ASN 52 -3.661 0.577 9.298 409 H LEU 53 H LEU 53 -2.730 -2.253 5.771 410 HA LEU 53 HA LEU 53 -0.987 -0.133 4.623 411 HB2 LEU 53 2HB LEU 53 -2.254 -2.639 3.583 412 HB3 LEU 53 3HB LEU 53 -1.835 -1.351 2.454 413 HG LEU 53 HG LEU 53 0.457 -1.573 4.078 414 HD11 LEU 53 1HD1 LEU 53 -0.441 -3.626 5.086 415 HD12 LEU 53 2HD1 LEU 53 0.974 -3.951 4.052 416 HD13 LEU 53 3HD1 LEU 53 -0.653 -4.307 3.448 417 HD21 LEU 53 1HD2 LEU 53 0.573 -1.450 1.591 418 HD22 LEU 53 2HD2 LEU 53 -0.059 -3.130 1.566 419 HD23 LEU 53 3HD2 LEU 53 1.534 -2.797 2.281 420 H TYR 54 H TYR 54 -2.091 0.936 2.707 421 HA TYR 54 HA TYR 54 -4.890 1.477 3.216 422 HB2 TYR 54 2HB TYR 54 -3.051 3.862 3.336 423 HB3 TYR 54 3HB TYR 54 -4.736 3.764 3.630 424 HD1 TYR 54 1HD TYR 54 -1.563 2.239 5.182 425 HD2 TYR 54 2HD TYR 54 -5.440 4.027 5.768 426 HE1 TYR 54 1HE TYR 54 -1.413 1.790 7.605 427 HE2 TYR 54 2HE TYR 54 -5.160 3.869 8.195 428 HH TYR 54 HH TYR 54 -2.169 2.718 9.692 429 H ALA 55 H ALA 55 -5.825 1.961 1.211 430 HA ALA 55 HA ALA 55 -3.894 2.498 -1.070 431 HB1 ALA 55 1HB ALA 55 -5.815 1.960 -2.523 432 HB2 ALA 55 2HB ALA 55 -5.462 0.598 -1.441 433 HB3 ALA 55 3HB ALA 55 -6.836 1.669 -1.103 434 H ILE 56 H ILE 56 -3.390 4.558 -1.105 435 HA ILE 56 HA ILE 56 -5.555 6.515 -0.586 436 HB ILE 56 HB ILE 56 -2.592 6.899 -0.876 437 HG12 ILE 56 2HG1 ILE 56 -3.422 8.222 1.419 438 HG13 ILE 56 3HG1 ILE 56 -4.589 6.943 1.392 439 HG21 ILE 56 1HG2 ILE 56 -3.287 9.376 -0.440 440 HG22 ILE 56 2HG2 ILE 56 -3.735 8.782 -2.028 441 HG23 ILE 56 3HG2 ILE 56 -4.955 8.901 -0.727 442 HD11 ILE 56 1HD1 ILE 56 -2.670 5.309 1.443 443 HD12 ILE 56 2HD1 ILE 56 -1.547 6.691 1.541 444 HD13 ILE 56 3HD1 ILE 56 -2.739 6.429 2.819 445 H THR 57 H THR 57 -6.836 6.859 -2.163 446 HA THR 57 HA THR 57 -5.908 6.758 -5.019 447 HB THR 57 HB THR 57 -8.700 6.399 -3.849 448 HG1 THR 57 1HG THR 57 -8.303 4.312 -3.884 449 HG21 THR 57 1HG2 THR 57 -7.653 5.883 -6.636 450 HG22 THR 57 2HG2 THR 57 -8.792 7.150 -6.146 451 HG23 THR 57 3HG2 THR 57 -9.270 5.451 -6.041 452 H GLY 58 H GLY 58 -5.306 8.794 -5.476 453 HA2 GLY 58 2HA GLY 58 -5.362 11.124 -5.712 454 HA3 GLY 58 3HA GLY 58 -7.076 11.065 -5.338 455 H ASP 59 H ASP 59 -7.520 10.657 -3.116 456 HA ASP 59 HA ASP 59 -5.795 11.715 -0.924 457 HB2 ASP 59 2HB ASP 59 -8.365 12.927 -1.955 458 HB3 ASP 59 3HB ASP 59 -7.681 13.341 -0.371 459 H VAL 60 H VAL 60 -7.942 9.384 -1.909 460 HA VAL 60 HA VAL 60 -9.722 9.190 0.430 461 HB VAL 60 HB VAL 60 -9.396 7.505 -2.095 462 HG11 VAL 60 1HG1 VAL 60 -10.129 5.902 -0.388 463 HG12 VAL 60 2HG1 VAL 60 -11.316 7.081 0.227 464 HG13 VAL 60 3HG1 VAL 60 -11.523 6.334 -1.373 465 HG21 VAL 60 1HG2 VAL 60 -11.629 8.368 -2.685 466 HG22 VAL 60 2HG2 VAL 60 -11.637 9.357 -1.203 467 HG23 VAL 60 3HG2 VAL 60 -10.449 9.670 -2.497 468 H VAL 61 H VAL 61 -8.479 8.628 2.170 469 HA VAL 61 HA VAL 61 -6.581 6.411 1.957 470 HB VAL 61 HB VAL 61 -6.106 8.307 3.250 471 HG11 VAL 61 1HG1 VAL 61 -7.042 8.788 5.462 472 HG12 VAL 61 2HG1 VAL 61 -8.365 8.788 4.284 473 HG13 VAL 61 3HG1 VAL 61 -8.118 7.400 5.369 474 HG21 VAL 61 1HG2 VAL 61 -5.091 7.178 5.175 475 HG22 VAL 61 2HG2 VAL 61 -6.237 5.839 5.021 476 HG23 VAL 61 3HG2 VAL 61 -5.022 6.127 3.749 477 H LEU 62 H LEU 62 -7.582 4.604 1.375 478 HA LEU 62 HA LEU 62 -9.691 3.524 3.154 479 HB2 LEU 62 2HB LEU 62 -9.903 3.533 0.691 480 HB3 LEU 62 3HB LEU 62 -8.520 2.546 0.543 481 HG LEU 62 HG LEU 62 -10.073 0.887 0.357 482 HD11 LEU 62 1HD1 LEU 62 -10.346 1.072 3.423 483 HD12 LEU 62 2HD1 LEU 62 -9.185 0.092 2.494 484 HD13 LEU 62 3HD1 LEU 62 -10.882 -0.261 2.386 485 HD21 LEU 62 1HD2 LEU 62 -12.415 1.053 1.129 486 HD22 LEU 62 2HD2 LEU 62 -11.919 2.512 0.253 487 HD23 LEU 62 3HD2 LEU 62 -12.028 2.540 2.026 488 H LYS 63 H LYS 63 -8.344 3.391 5.022 489 HA LYS 63 HA LYS 63 -6.211 1.649 5.377 490 HB2 LYS 63 2HB LYS 63 -6.706 1.558 7.685 491 HB3 LYS 63 3HB LYS 63 -7.091 3.192 7.096 492 HG2 LYS 63 2HG LYS 63 -9.483 2.723 7.168 493 HG3 LYS 63 3HG LYS 63 -9.200 1.062 7.687 494 HD2 LYS 63 2HD LYS 63 -8.191 3.492 9.225 495 HD3 LYS 63 3HD LYS 63 -9.750 2.790 9.526 496 HE2 LYS 63 2HE LYS 63 -7.232 1.086 9.717 497 HE3 LYS 63 3HE LYS 63 -7.748 2.131 11.054 498 HZ1 LYS 63 1HZ LYS 63 -9.318 -0.081 9.868 499 HZ2 LYS 63 2HZ LYS 63 -9.913 0.972 11.007 500 HZ3 LYS 63 3HZ LYS 63 -8.702 -0.006 11.392 501 H PHE 64 H PHE 64 -5.807 -0.419 5.327 502 HA PHE 64 HA PHE 64 -7.955 -2.407 4.839 503 HB2 PHE 64 2HB PHE 64 -4.990 -2.428 4.695 504 HB3 PHE 64 3HB PHE 64 -5.890 -3.777 4.504 505 HD1 PHE 64 1HD PHE 64 -8.232 -2.896 2.783 506 HD2 PHE 64 2HD PHE 64 -4.150 -1.681 2.674 507 HE1 PHE 64 1HE PHE 64 -8.497 -2.347 0.380 508 HE2 PHE 64 2HE PHE 64 -4.334 -1.064 0.290 509 HZ PHE 64 HZ PHE 64 -6.431 -1.536 -0.871 510 H ALA 65 H ALA 65 -8.670 -3.792 6.470 511 HA ALA 65 HA ALA 65 -7.583 -3.631 9.141 512 HB1 ALA 65 1HB ALA 65 -9.266 -5.808 7.851 513 HB2 ALA 65 2HB ALA 65 -9.122 -5.443 9.582 514 HB3 ALA 65 3HB ALA 65 -9.940 -4.277 8.511 515 H THR 66 H THR 66 -5.661 -4.780 6.683 516 HA THR 66 HA THR 66 -4.426 -6.881 8.243 517 HB THR 66 HB THR 66 -5.197 -7.639 5.474 518 HG1 THR 66 1HG THR 66 -7.032 -7.722 7.697 519 HG21 THR 66 1HG2 THR 66 -4.004 -9.271 6.884 520 HG22 THR 66 2HG2 THR 66 -5.622 -9.835 6.391 521 HG23 THR 66 3HG2 THR 66 -5.346 -9.250 8.055 522 H VAL 67 H VAL 67 -2.640 -7.613 6.961 523 HA VAL 67 HA VAL 67 -1.755 -5.730 4.920 524 HB VAL 67 HB VAL 67 -0.746 -8.541 5.204 525 HG11 VAL 67 1HG1 VAL 67 0.398 -5.762 4.947 526 HG12 VAL 67 2HG1 VAL 67 1.274 -7.207 4.473 527 HG13 VAL 67 3HG1 VAL 67 -0.169 -6.647 3.502 528 HG21 VAL 67 1HG2 VAL 67 0.383 -6.289 6.912 529 HG22 VAL 67 2HG2 VAL 67 -0.353 -7.823 7.521 530 HG23 VAL 67 3HG2 VAL 67 1.104 -7.852 6.461 531 H SER 68 H SER 68 -3.113 -9.128 5.044 532 HA SER 68 HA SER 68 -2.936 -9.823 2.461 533 HB2 SER 68 2HB SER 68 -5.419 -10.490 4.029 534 HB3 SER 68 3HB SER 68 -4.517 -11.501 2.898 535 HG SER 68 HG SER 68 -3.970 -12.178 4.964 536 H LYS 69 H LYS 69 -5.463 -7.624 3.696 537 HA LYS 69 HA LYS 69 -7.187 -7.495 1.463 538 HB2 LYS 69 2HB LYS 69 -5.972 -5.362 3.262 539 HB3 LYS 69 3HB LYS 69 -7.484 -5.157 2.334 540 HG2 LYS 69 2HG LYS 69 -7.513 -7.365 4.336 541 HG3 LYS 69 3HG LYS 69 -7.136 -5.787 5.022 542 HD2 LYS 69 2HD LYS 69 -9.472 -5.847 5.193 543 HD3 LYS 69 3HD LYS 69 -9.086 -4.824 3.759 544 HE2 LYS 69 2HE LYS 69 -9.106 -7.296 2.603 545 HE3 LYS 69 3HE LYS 69 -9.897 -7.806 4.022 546 HZ1 LYS 69 1HZ LYS 69 -11.785 -6.259 3.487 547 HZ2 LYS 69 2HZ LYS 69 -11.541 -7.337 2.317 548 HZ3 LYS 69 3HZ LYS 69 -11.049 -5.828 2.065 549 H ALA 70 H ALA 70 -4.284 -5.547 2.155 550 HA ALA 70 HA ALA 70 -4.313 -3.942 -0.117 551 HB1 ALA 70 1HB ALA 70 -1.925 -5.082 1.393 552 HB2 ALA 70 2HB ALA 70 -1.958 -3.589 0.492 553 HB3 ALA 70 3HB ALA 70 -2.976 -3.757 1.942 554 H ARG 71 H ARG 71 -3.439 -7.362 -0.008 555 HA ARG 71 HA ARG 71 -2.026 -7.296 -2.543 556 HB2 ARG 71 2HB ARG 71 -1.652 -9.021 -0.692 557 HB3 ARG 71 3HB ARG 71 -3.137 -9.776 -1.240 558 HG2 ARG 71 2HG ARG 71 -2.223 -10.478 -3.272 559 HG3 ARG 71 3HG ARG 71 -1.179 -9.063 -3.409 560 HD2 ARG 71 2HD ARG 71 0.420 -10.549 -3.076 561 HD3 ARG 71 3HD ARG 71 0.142 -10.140 -1.391 562 HE ARG 71 HE ARG 71 -1.591 -12.278 -1.908 563 HH11 ARG 71 1HH1 ARG 71 2.218 -13.608 -2.342 564 HH12 ARG 71 2HH1 ARG 71 1.944 -11.929 -2.622 565 HH21 ARG 71 1HH2 ARG 71 0.746 -14.954 -1.905 566 HH22 ARG 71 2HH2 ARG 71 -0.945 -14.586 -1.651 567 H ALA 72 H ALA 72 -5.231 -8.353 -1.368 568 HA ALA 72 HA ALA 72 -6.280 -9.032 -3.988 569 HB1 ALA 72 1HB ALA 72 -7.050 -9.910 -1.816 570 HB2 ALA 72 2HB ALA 72 -7.639 -8.276 -1.357 571 HB3 ALA 72 3HB ALA 72 -8.393 -9.118 -2.730 572 H TYR 73 H TYR 73 -5.695 -5.940 -2.429 573 HA TYR 73 HA TYR 73 -7.634 -4.376 -3.845 574 HB2 TYR 73 2HB TYR 73 -6.620 -3.587 -1.839 575 HB3 TYR 73 3HB TYR 73 -5.072 -3.352 -2.679 576 HD1 TYR 73 1HD TYR 73 -8.575 -2.119 -2.224 577 HD2 TYR 73 2HD TYR 73 -4.994 -1.768 -4.693 578 HE1 TYR 73 1HE TYR 73 -9.394 0.076 -3.115 579 HE2 TYR 73 2HE TYR 73 -5.929 0.371 -5.589 580 HH TYR 73 HH TYR 73 -7.359 2.142 -5.228 581 H LEU 74 H LEU 74 -4.298 -5.140 -4.276 582 HA LEU 74 HA LEU 74 -3.764 -3.656 -6.567 583 HB2 LEU 74 2HB LEU 74 -2.573 -5.837 -5.184 584 HB3 LEU 74 3HB LEU 74 -2.299 -6.133 -6.833 585 HG LEU 74 HG LEU 74 -1.094 -4.064 -7.051 586 HD11 LEU 74 1HD1 LEU 74 -0.681 -2.612 -5.022 587 HD12 LEU 74 2HD1 LEU 74 -1.930 -3.584 -4.153 588 HD13 LEU 74 3HD1 LEU 74 -2.340 -2.557 -5.531 589 HD21 LEU 74 1HD2 LEU 74 0.762 -4.467 -5.506 590 HD22 LEU 74 2HD2 LEU 74 0.110 -6.009 -6.059 591 HD23 LEU 74 3HD2 LEU 74 -0.314 -5.437 -4.434 592 H GLU 75 H GLU 75 -5.175 -6.725 -6.471 593 HA GLU 75 HA GLU 75 -5.818 -6.827 -9.320 594 HB2 GLU 75 2HB GLU 75 -6.193 -9.327 -8.956 595 HB3 GLU 75 3HB GLU 75 -4.459 -8.605 -8.697 596 HG2 GLU 75 2HG GLU 75 -4.978 -8.675 -6.235 597 HG3 GLU 75 3HG GLU 75 -6.441 -9.603 -6.503 598 H THR 76 H THR 76 -7.395 -5.302 -7.173 599 HA THR 76 HA THR 76 -9.801 -6.488 -6.701 600 HB THR 76 HB THR 76 -8.763 -4.717 -5.433 601 HG1 THR 76 1HG THR 76 -11.434 -4.416 -6.344 602 HG21 THR 76 1HG2 THR 76 -10.165 -2.812 -7.392 603 HG22 THR 76 2HG2 THR 76 -8.495 -3.384 -7.734 604 HG23 THR 76 3HG2 THR 76 -8.856 -2.499 -6.216 605 H LYS 77 H LYS 77 -9.469 -6.768 -9.526 606 HA LYS 77 HA LYS 77 -12.072 -5.657 -10.395 607 HB2 LYS 77 2HB LYS 77 -9.427 -5.231 -11.657 608 HB3 LYS 77 3HB LYS 77 -10.758 -5.565 -12.716 609 HG2 LYS 77 2HG LYS 77 -10.842 -3.228 -12.539 610 HG3 LYS 77 3HG LYS 77 -12.026 -3.714 -11.301 611 HD2 LYS 77 2HD LYS 77 -9.995 -3.615 -9.679 612 HD3 LYS 77 3HD LYS 77 -9.002 -3.109 -10.929 613 HE2 LYS 77 2HE LYS 77 -11.292 -1.870 -9.292 614 HE3 LYS 77 3HE LYS 77 -9.718 -1.232 -9.508 615 HZ1 LYS 77 1HZ LYS 77 -10.440 -0.633 -11.780 616 HZ2 LYS 77 2HZ LYS 77 -11.233 0.195 -10.653 617 HZ3 LYS 77 3HZ LYS 77 -11.945 -1.091 -11.539
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