NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
9359 | 1nti | 5351 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H SER 1 HT1 SER 1 8.366 2.994 7.912 2 2H SER 1 HT2 SER 1 8.762 3.250 9.556 3 3H SER 1 HT3 SER 1 8.680 4.570 8.494 4 HA SER 1 HA SER 1 6.183 3.337 8.371 5 1HB SER 1 HB2 SER 1 6.682 2.365 10.647 6 2HB SER 1 HB1 SER 1 7.136 3.967 11.213 7 HG SER 1 HG1 SER 1 5.056 4.027 11.594 8 H GLN 2 HN GLN 2 4.765 5.142 9.565 9 HA GLN 2 HA GLN 2 5.815 7.877 8.839 10 1HB GLN 2 HB2 GLN 2 4.408 7.054 7.050 11 2HB GLN 2 HB1 GLN 2 3.147 6.587 8.165 12 1HG GLN 2 HG2 GLN 2 2.438 8.645 7.075 13 2HG GLN 2 HG1 GLN 2 2.793 9.033 8.731 14 1HE2 GLN 2 HE21 GLN 2 3.445 11.242 8.506 15 2HE2 GLN 2 HE22 GLN 2 4.683 11.692 7.419 16 H ALA 3 HN ALA 3 3.238 6.252 10.659 17 HA ALA 3 HA ALA 3 2.074 8.268 12.043 18 1HB ALA 3 HB1 ALA 3 1.538 5.853 12.287 19 2HB ALA 3 HB2 ALA 3 1.744 6.559 13.876 20 3HB ALA 3 HB3 ALA 3 3.029 5.586 13.178 21 H GLU 4 HN GLU 4 5.185 6.907 12.927 22 HA GLU 4 HA GLU 4 5.453 8.405 15.330 23 1HB GLU 4 HB2 GLU 4 7.936 7.867 13.729 24 2HB GLU 4 HB1 GLU 4 7.768 7.812 15.459 25 1HG GLU 4 HG2 GLU 4 7.974 5.493 14.779 26 2HG GLU 4 HG1 GLU 4 6.292 5.734 15.245 27 H PHE 5 HN PHE 5 6.074 9.333 12.149 28 HA PHE 5 HA PHE 5 7.619 11.762 12.797 29 1HB PHE 5 HB2 PHE 5 7.898 10.596 10.587 30 2HB PHE 5 HB1 PHE 5 6.192 10.890 10.291 31 HD1 PHE 5 HD1 PHE 5 5.368 13.011 9.693 32 HD2 PHE 5 HD2 PHE 5 9.502 12.584 10.648 33 HE1 PHE 5 HE1 PHE 5 5.774 15.206 8.807 34 HE2 PHE 5 HE2 PHE 5 9.929 14.836 9.735 35 HZ PHE 5 HZ PHE 5 8.048 16.149 8.793 36 H ASP 6 HN ASP 6 4.196 11.181 11.602 37 HA ASP 6 HA ASP 6 3.433 13.874 11.933 38 1HB ASP 6 HB2 ASP 6 1.776 11.316 12.364 39 2HB ASP 6 HB1 ASP 6 1.221 12.890 11.826 40 H LYS 7 HN LYS 7 3.402 11.072 14.095 41 HA LYS 7 HA LYS 7 2.504 12.207 16.513 42 1HB LYS 7 HB2 LYS 7 3.210 9.782 16.240 43 2HB LYS 7 HB1 LYS 7 4.880 10.294 16.227 44 1HG LYS 7 HG2 LYS 7 4.589 11.254 18.569 45 2HG LYS 7 HG1 LYS 7 2.933 10.713 18.539 46 1HD LYS 7 HD2 LYS 7 4.299 9.045 19.791 47 2HD LYS 7 HD1 LYS 7 3.612 8.335 18.352 48 1HE LYS 7 HE2 LYS 7 5.967 7.630 18.648 49 2HE LYS 7 HE1 LYS 7 5.785 8.525 17.175 50 1HZ LYS 7 HZ1 LYS 7 7.490 9.159 19.322 51 2HZ LYS 7 HZ2 LYS 7 6.302 10.343 19.281 52 3HZ LYS 7 HZ3 LYS 7 7.248 10.054 17.895 53 H ALA 8 HN ALA 8 5.870 12.293 15.145 54 HA ALA 8 HA ALA 8 6.836 13.935 17.258 55 1HB ALA 8 HB1 ALA 8 8.761 14.311 15.627 56 2HB ALA 8 HB2 ALA 8 7.777 13.609 14.362 57 3HB ALA 8 HB3 ALA 8 8.287 12.628 15.719 58 H ALA 9 HN ALA 9 5.783 14.841 14.170 59 HA ALA 9 HA ALA 9 6.111 17.727 14.432 60 1HB ALA 9 HB1 ALA 9 5.781 16.604 12.252 61 2HB ALA 9 HB2 ALA 9 4.612 17.890 12.406 62 3HB ALA 9 HB3 ALA 9 4.124 16.212 12.663 63 H GLU 10 HN GLU 10 3.337 15.686 15.208 64 HA GLU 10 HA GLU 10 1.555 17.793 15.944 65 1HB GLU 10 HB2 GLU 10 1.021 15.383 15.146 66 2HB GLU 10 HB1 GLU 10 1.588 14.860 16.722 67 1HG GLU 10 HG2 GLU 10 -0.098 16.375 17.842 68 2HG GLU 10 HG1 GLU 10 -0.717 16.793 16.252 69 H GLU 11 HN GLU 11 3.725 15.494 17.615 70 HA GLU 11 HA GLU 11 3.062 16.354 20.240 71 1HB GLU 11 HB2 GLU 11 5.195 14.743 18.894 72 2HB GLU 11 HB1 GLU 11 5.760 15.602 20.246 73 1HG GLU 11 HG2 GLU 11 3.119 14.155 20.636 74 2HG GLU 11 HG1 GLU 11 4.588 13.181 20.656 75 H VAL 12 HN VAL 12 5.685 17.444 18.031 76 HA VAL 12 HA VAL 12 6.754 19.370 19.791 77 HB VAL 12 HB VAL 12 7.192 18.524 17.192 78 1HG1 VAL 12 HG11 VAL 12 6.491 21.494 16.924 79 2HG1 VAL 12 HG12 VAL 12 5.598 20.173 16.184 80 3HG1 VAL 12 HG13 VAL 12 7.243 20.490 15.699 81 1HG2 VAL 12 HG21 VAL 12 8.920 19.296 18.743 82 2HG2 VAL 12 HG22 VAL 12 8.408 20.963 18.508 83 3HG2 VAL 12 HG23 VAL 12 9.123 20.064 17.180 84 H LYS 13 HN LYS 13 4.081 19.697 17.383 85 HA LYS 13 HA LYS 13 3.366 22.359 18.023 86 1HB LYS 13 HB2 LYS 13 1.577 20.013 17.250 87 2HB LYS 13 HB1 LYS 13 1.039 21.677 17.293 88 1HG LYS 13 HG2 LYS 13 2.589 22.319 15.543 89 2HG LYS 13 HG1 LYS 13 3.371 20.767 15.551 90 1HD LYS 13 HD2 LYS 13 0.922 19.806 15.066 91 2HD LYS 13 HD1 LYS 13 0.484 21.471 14.778 92 1HE LYS 13 HE2 LYS 13 0.930 20.305 12.648 93 2HE LYS 13 HE1 LYS 13 2.108 21.582 12.901 94 1HZ LYS 13 HZ1 LYS 13 2.587 18.754 12.673 95 2HZ LYS 13 HZ2 LYS 13 3.070 19.337 14.207 96 3HZ LYS 13 HZ3 LYS 13 3.725 20.014 12.801 97 H HIS 14 HN HIS 14 3.182 19.793 20.114 98 HA HIS 14 HA HIS 14 1.311 21.235 21.978 99 1HB HIS 14 HB2 HIS 14 1.586 18.210 21.662 100 2HB HIS 14 HB1 HIS 14 0.648 18.979 22.932 101 HD1 HIS 14 HD1 HIS 14 0.724 18.532 19.332 102 HD2 HIS 14 HD2 HIS 14 -1.887 19.907 22.122 103 HE1 HIS 14 HE1 HIS 14 -1.482 18.822 18.155 104 H LEU 15 HN LEU 15 4.466 20.903 21.721 105 HA LEU 15 HA LEU 15 5.170 19.486 24.137 106 1HB LEU 15 HB2 LEU 15 6.514 21.669 22.524 107 2HB LEU 15 HB1 LEU 15 7.294 21.045 23.956 108 HG LEU 15 HG LEU 15 6.308 19.267 21.703 109 1HD1 LEU 15 HD11 LEU 15 8.746 19.223 21.085 110 2HD1 LEU 15 HD12 LEU 15 9.082 20.429 22.330 111 3HD1 LEU 15 HD13 LEU 15 8.090 20.848 20.931 112 1HD2 LEU 15 HD21 LEU 15 7.867 17.664 22.672 113 2HD2 LEU 15 HD22 LEU 15 6.673 18.108 23.869 114 3HD2 LEU 15 HD23 LEU 15 8.288 18.797 23.967 115 H LYS 16 HN LYS 16 5.858 20.224 26.211 116 HA LYS 16 HA LYS 16 4.103 22.284 27.223 117 1HB LYS 16 HB2 LYS 16 4.659 20.230 28.361 118 2HB LYS 16 HB1 LYS 16 6.358 20.640 28.417 119 1HG LYS 16 HG2 LYS 16 5.997 22.399 30.032 120 2HG LYS 16 HG1 LYS 16 4.251 22.416 29.751 121 1HD LYS 16 HD2 LYS 16 4.195 20.026 30.331 122 2HD LYS 16 HD1 LYS 16 5.901 20.033 30.750 123 1HE LYS 16 HE2 LYS 16 5.371 21.415 32.701 124 2HE LYS 16 HE1 LYS 16 3.684 21.525 32.166 125 1HZ LYS 16 HZ1 LYS 16 4.903 19.288 33.516 126 2HZ LYS 16 HZ2 LYS 16 4.519 18.852 31.937 127 3HZ LYS 16 HZ3 LYS 16 3.314 19.399 32.896 128 H THR 17 HN THR 17 7.193 22.357 25.939 129 HA THR 17 HA THR 17 7.531 25.199 26.837 130 HB THR 17 HB THR 17 9.975 23.363 26.606 131 HG1 THR 17 HG1 THR 17 7.999 23.389 28.463 132 1HG2 THR 17 HG21 THR 17 10.901 24.971 28.208 133 2HG2 THR 17 HG22 THR 17 9.389 25.845 28.296 134 3HG2 THR 17 HG23 THR 17 10.343 25.874 26.812 135 H LYS 18 HN LYS 18 9.051 26.371 25.426 136 HA LYS 18 HA LYS 18 8.721 25.441 22.629 137 1HB LYS 18 HB2 LYS 18 9.066 27.861 22.082 138 2HB LYS 18 HB1 LYS 18 7.740 27.531 23.181 139 1HG LYS 18 HG2 LYS 18 10.212 28.124 24.685 140 2HG LYS 18 HG1 LYS 18 9.826 29.415 23.586 141 1HD LYS 18 HD2 LYS 18 7.853 28.181 25.605 142 2HD LYS 18 HD1 LYS 18 8.746 29.650 25.902 143 1HE LYS 18 HE2 LYS 18 6.757 29.293 23.598 144 2HE LYS 18 HE1 LYS 18 6.372 30.033 25.141 145 1HZ LYS 18 HZ1 LYS 18 8.742 31.206 24.214 146 2HZ LYS 18 HZ2 LYS 18 7.233 31.966 24.364 147 3HZ LYS 18 HZ3 LYS 18 7.680 31.220 22.904 148 HA PRO 19 HA PRO 19 13.156 24.854 23.060 149 1HB PRO 19 HB2 PRO 19 13.748 23.492 20.865 150 2HB PRO 19 HB1 PRO 19 12.572 22.806 21.977 151 1HG PRO 19 HG2 PRO 19 11.911 24.533 19.517 152 2HG PRO 19 HG1 PRO 19 11.356 22.892 19.841 153 1HD PRO 19 HD2 PRO 19 9.889 25.132 20.590 154 2HD PRO 19 HD1 PRO 19 9.843 23.670 21.610 155 H ALA 20 HN ALA 20 15.056 25.511 21.707 156 HA ALA 20 HA ALA 20 14.957 28.311 21.142 157 1HB ALA 20 HB1 ALA 20 17.009 27.147 21.852 158 2HB ALA 20 HB2 ALA 20 17.299 27.976 20.337 159 3HB ALA 20 HB3 ALA 20 17.056 26.248 20.347 160 H ASP 21 HN ASP 21 15.304 29.560 19.226 161 HA ASP 21 HA ASP 21 13.649 29.085 17.063 162 1HB ASP 21 HB2 ASP 21 15.598 31.035 17.846 163 2HB ASP 21 HB1 ASP 21 16.183 30.499 16.307 164 H GLU 22 HN GLU 22 17.199 28.333 17.333 165 HA GLU 22 HA GLU 22 17.531 27.022 14.961 166 1HB GLU 22 HB2 GLU 22 18.655 26.136 17.711 167 2HB GLU 22 HB1 GLU 22 19.423 25.833 16.170 168 1HG GLU 22 HG2 GLU 22 20.680 27.667 17.058 169 2HG GLU 22 HG1 GLU 22 19.548 28.483 15.989 170 H GLU 23 HN GLU 23 16.121 25.606 17.934 171 HA GLU 23 HA GLU 23 15.895 22.982 16.786 172 1HB GLU 23 HB2 GLU 23 14.347 24.426 18.993 173 2HB GLU 23 HB1 GLU 23 14.196 22.699 18.708 174 1HG GLU 23 HG2 GLU 23 16.910 24.014 19.238 175 2HG GLU 23 HG1 GLU 23 15.921 23.416 20.548 176 H MET 24 HN MET 24 13.738 25.572 17.141 177 HA MET 24 HA MET 24 11.402 24.539 15.825 178 1HB MET 24 HB2 MET 24 12.489 27.400 15.841 179 2HB MET 24 HB1 MET 24 10.863 26.980 15.340 180 1HG MET 24 HG2 MET 24 10.605 25.887 17.666 181 2HG MET 24 HG1 MET 24 12.079 26.704 18.098 182 1HE MET 24 HE1 MET 24 8.769 26.850 16.608 183 2HE MET 24 HE2 MET 24 8.164 28.474 16.804 184 3HE MET 24 HE3 MET 24 8.074 27.327 18.165 185 H LEU 25 HN LEU 25 14.299 26.029 14.560 186 HA LEU 25 HA LEU 25 13.614 25.926 11.792 187 1HB LEU 25 HB2 LEU 25 16.020 26.475 13.564 188 2HB LEU 25 HB1 LEU 25 16.309 26.328 11.860 189 HG LEU 25 HG LEU 25 14.178 28.124 13.109 190 1HD1 LEU 25 HD11 LEU 25 15.619 30.033 12.687 191 2HD1 LEU 25 HD12 LEU 25 16.910 28.984 12.123 192 3HD1 LEU 25 HD13 LEU 25 16.390 28.918 13.793 193 1HD2 LEU 25 HD21 LEU 25 13.841 27.482 10.655 194 2HD2 LEU 25 HD22 LEU 25 15.470 28.018 10.316 195 3HD2 LEU 25 HD23 LEU 25 14.258 29.180 10.816 196 H PHE 26 HN PHE 26 15.693 23.803 13.780 197 HA PHE 26 HA PHE 26 16.380 21.997 11.695 198 1HB PHE 26 HB2 PHE 26 17.487 21.606 13.807 199 2HB PHE 26 HB1 PHE 26 15.983 21.608 14.720 200 HD1 PHE 26 HD1 PHE 26 14.379 19.724 14.456 201 HD2 PHE 26 HD2 PHE 26 18.237 19.551 12.671 202 HE1 PHE 26 HE1 PHE 26 14.094 17.311 14.061 203 HE2 PHE 26 HE2 PHE 26 17.968 17.172 12.309 204 HZ PHE 26 HZ PHE 26 15.890 16.028 12.989 205 H ILE 27 HN ILE 27 13.651 22.047 13.936 206 HA ILE 27 HA ILE 27 12.202 19.842 12.822 207 HB ILE 27 HB ILE 27 11.350 22.396 14.272 208 1HG1 ILE 27 HG12 ILE 27 12.901 21.021 15.626 209 2HG1 ILE 27 HG11 ILE 27 11.314 21.028 16.355 210 1HG2 ILE 27 HG21 ILE 27 9.211 21.244 14.852 211 2HG2 ILE 27 HG22 ILE 27 9.710 19.841 13.950 212 3HG2 ILE 27 HG23 ILE 27 9.381 21.353 13.112 213 1HD1 ILE 27 HD1 ILE 27 10.877 18.783 15.380 214 2HD1 ILE 27 HD2 ILE 27 12.321 18.760 16.369 215 3HD1 ILE 27 HD3 ILE 27 12.446 18.780 14.617 216 H TYR 28 HN TYR 28 11.050 23.090 12.506 217 HA TYR 28 HA TYR 28 9.560 23.188 10.248 218 1HB TYR 28 HB2 TYR 28 10.573 25.355 11.182 219 2HB TYR 28 HB1 TYR 28 11.997 25.054 10.192 220 HD1 TYR 28 HD1 TYR 28 8.290 25.372 10.042 221 HD2 TYR 28 HD2 TYR 28 11.895 25.552 7.765 222 HE1 TYR 28 HE1 TYR 28 7.027 26.137 8.089 223 HE2 TYR 28 HE2 TYR 28 10.604 26.324 5.825 224 HH TYR 28 HH TYR 28 7.668 27.582 6.054 225 H SER 29 HN SER 29 13.215 23.134 9.645 226 HA SER 29 HA SER 29 13.043 22.715 6.941 227 1HB SER 29 HB2 SER 29 15.548 22.353 7.368 228 2HB SER 29 HB1 SER 29 14.980 23.688 8.348 229 HG SER 29 HG1 SER 29 14.829 22.349 10.095 230 H HIS 30 HN HIS 30 14.091 20.378 9.403 231 HA HIS 30 HA HIS 30 14.091 18.116 7.697 232 1HB HIS 30 HB2 HIS 30 13.785 18.501 10.703 233 2HB HIS 30 HB1 HIS 30 13.722 16.885 10.023 234 HD1 HIS 30 HD1 HIS 30 15.910 15.878 9.613 235 HD2 HIS 30 HD2 HIS 30 16.284 19.932 9.876 236 HE1 HIS 30 HE1 HIS 30 18.359 16.370 9.469 237 H TYR 31 HN TYR 31 11.426 19.679 9.275 238 HA TYR 31 HA TYR 31 9.494 17.555 8.800 239 1HB TYR 31 HB2 TYR 31 8.992 19.431 10.441 240 2HB TYR 31 HB1 TYR 31 8.980 20.582 9.143 241 HD1 TYR 31 HD1 TYR 31 7.237 17.522 10.424 242 HD2 TYR 31 HD2 TYR 31 7.075 20.826 7.773 243 HE1 TYR 31 HE1 TYR 31 4.866 17.003 9.897 244 HE2 TYR 31 HE2 TYR 31 4.730 20.301 7.248 245 HH TYR 31 HH TYR 31 3.228 18.503 7.300 246 H LYS 32 HN LYS 32 10.383 20.548 7.120 247 HA LYS 32 HA LYS 32 8.502 19.994 4.934 248 1HB LYS 32 HB2 LYS 32 11.050 21.684 4.699 249 2HB LYS 32 HB1 LYS 32 9.759 21.545 3.546 250 1HG LYS 32 HG2 LYS 32 9.532 22.886 6.222 251 2HG LYS 32 HG1 LYS 32 9.483 23.573 4.655 252 1HD LYS 32 HD2 LYS 32 7.442 21.922 4.131 253 2HD LYS 32 HD1 LYS 32 7.425 21.637 5.849 254 1HE LYS 32 HE2 LYS 32 5.768 23.331 5.252 255 2HE LYS 32 HE1 LYS 32 7.035 23.998 6.289 256 1HZ LYS 32 HZ1 LYS 32 6.434 24.704 3.575 257 2HZ LYS 32 HZ2 LYS 32 8.010 24.067 3.724 258 3HZ LYS 32 HZ3 LYS 32 7.558 25.411 4.676 259 H GLN 33 HN GLN 33 11.970 19.255 5.241 260 HA GLN 33 HA GLN 33 12.051 18.004 2.556 261 1HB GLN 33 HB2 GLN 33 14.191 18.558 3.683 262 2HB GLN 33 HB1 GLN 33 13.865 17.413 4.974 263 1HG GLN 33 HG2 GLN 33 15.408 16.460 3.201 264 2HG GLN 33 HG1 GLN 33 13.927 15.550 3.252 265 1HE2 GLN 33 HE21 GLN 33 15.675 18.005 1.298 266 2HE2 GLN 33 HE22 GLN 33 14.731 17.611 -0.074 267 H ALA 34 HN ALA 34 11.424 16.704 5.866 268 HA ALA 34 HA ALA 34 11.085 14.013 5.126 269 1HB ALA 34 HB1 ALA 34 11.331 14.840 7.466 270 2HB ALA 34 HB2 ALA 34 9.810 13.968 7.333 271 3HB ALA 34 HB3 ALA 34 9.820 15.712 7.310 272 H THR 35 HN THR 35 8.765 16.660 4.958 273 HA THR 35 HA THR 35 6.804 14.716 3.777 274 HB THR 35 HB THR 35 4.935 16.135 4.582 275 HG1 THR 35 HG1 THR 35 7.093 17.685 5.607 276 1HG2 THR 35 HG21 THR 35 7.103 16.010 6.743 277 2HG2 THR 35 HG22 THR 35 6.104 14.625 6.328 278 3HG2 THR 35 HG23 THR 35 5.360 16.080 6.966 279 H VAL 36 HN VAL 36 8.038 17.810 3.056 280 HA VAL 36 HA VAL 36 6.237 18.027 0.656 281 HB VAL 36 HB VAL 36 8.213 20.036 1.906 282 1HG1 VAL 36 HG11 VAL 36 6.295 20.476 -0.446 283 2HG1 VAL 36 HG12 VAL 36 8.045 20.438 -0.601 284 3HG1 VAL 36 HG13 VAL 36 7.264 21.730 0.305 285 1HG2 VAL 36 HG21 VAL 36 6.115 21.302 2.480 286 2HG2 VAL 36 HG22 VAL 36 6.129 19.704 3.212 287 3HG2 VAL 36 HG23 VAL 36 5.156 20.013 1.785 288 H GLY 37 HN GLY 37 9.552 18.081 1.543 289 1HA GLY 37 HA2 GLY 37 11.135 16.602 0.261 290 2HA GLY 37 HA1 GLY 37 10.440 17.271 -1.215 291 H ASP 38 HN ASP 38 12.483 18.079 -1.971 292 HA ASP 38 HA ASP 38 14.038 19.819 -0.362 293 1HB ASP 38 HB2 ASP 38 13.927 19.611 -3.425 294 2HB ASP 38 HB1 ASP 38 15.285 19.971 -2.382 295 H ILE 39 HN ILE 39 14.138 21.948 -0.464 296 HA ILE 39 HA ILE 39 11.762 23.512 -0.646 297 HB ILE 39 HB ILE 39 13.888 23.843 0.612 298 1HG1 ILE 39 HG12 ILE 39 12.812 26.215 -0.899 299 2HG1 ILE 39 HG11 ILE 39 11.841 25.245 0.175 300 1HG2 ILE 39 HG21 ILE 39 15.578 23.612 -1.225 301 2HG2 ILE 39 HG22 ILE 39 15.661 25.230 -0.543 302 3HG2 ILE 39 HG23 ILE 39 14.906 25.007 -2.055 303 1HD1 ILE 39 HD1 ILE 39 12.840 27.083 1.486 304 2HD1 ILE 39 HD2 ILE 39 14.444 26.632 0.987 305 3HD1 ILE 39 HD3 ILE 39 13.506 25.581 2.018 306 H ASN 40 HN ASN 40 10.622 23.290 -2.364 307 HA ASN 40 HA ASN 40 11.738 24.038 -5.052 308 1HB ASN 40 HB2 ASN 40 9.343 22.355 -4.127 309 2HB ASN 40 HB1 ASN 40 9.452 22.949 -5.772 310 1HD2 ASN 40 HD21 ASN 40 10.646 20.436 -3.619 311 2HD2 ASN 40 HD22 ASN 40 11.635 19.749 -4.821 312 H THR 41 HN THR 41 11.197 25.672 -2.890 313 HA THR 41 HA THR 41 9.079 27.490 -3.958 314 HB THR 41 HB THR 41 8.784 28.372 -1.644 315 HG1 THR 41 HG1 THR 41 10.345 26.793 -0.304 316 1HG2 THR 41 HG21 THR 41 7.733 26.062 -2.094 317 2HG2 THR 41 HG22 THR 41 8.170 26.333 -0.412 318 3HG2 THR 41 HG23 THR 41 9.192 25.339 -1.449 319 H GLU 42 HN GLU 42 9.289 29.604 -2.973 320 HA GLU 42 HA GLU 42 11.652 30.911 -3.975 321 1HB GLU 42 HB2 GLU 42 9.082 32.004 -2.888 322 2HB GLU 42 HB1 GLU 42 10.221 32.859 -3.912 323 1HG GLU 42 HG2 GLU 42 8.430 32.157 -5.433 324 2HG GLU 42 HG1 GLU 42 9.725 31.037 -5.750 325 H ARG 43 HN ARG 43 13.192 31.473 -2.693 326 HA ARG 43 HA ARG 43 13.055 31.501 0.144 327 1HB ARG 43 HB2 ARG 43 15.053 30.907 -1.178 328 2HB ARG 43 HB1 ARG 43 15.017 32.453 -1.947 329 1HG ARG 43 HG2 ARG 43 15.250 33.399 0.523 330 2HG ARG 43 HG1 ARG 43 15.509 31.707 0.943 331 1HD ARG 43 HD2 ARG 43 17.515 31.728 -0.547 332 2HD ARG 43 HD1 ARG 43 17.232 33.457 -0.851 333 HE ARG 43 HE ARG 43 18.168 32.303 1.734 334 1HH1 ARG 43 HH21 ARG 43 18.318 35.236 0.327 335 2HH1 ARG 43 HH22 ARG 43 17.802 36.057 1.782 336 1HH2 ARG 43 HH11 ARG 43 16.905 33.178 3.279 337 2HH2 ARG 43 HH12 ARG 43 17.042 34.961 3.366 338 HA PRO 44 HA PRO 44 11.384 35.349 1.471 339 1HB PRO 44 HB2 PRO 44 14.334 36.000 1.642 340 2HB PRO 44 HB1 PRO 44 13.033 36.572 2.690 341 1HG PRO 44 HG2 PRO 44 14.503 34.270 3.223 342 2HG PRO 44 HG1 PRO 44 12.843 34.443 3.790 343 1HD PRO 44 HD2 PRO 44 13.826 32.527 1.803 344 2HD PRO 44 HD1 PRO 44 12.156 32.741 2.216 345 H GLY 45 HN GLY 45 14.098 36.306 -0.432 346 1HA GLY 45 HA2 GLY 45 14.106 37.543 -2.523 347 2HA GLY 45 HA1 GLY 45 12.344 37.482 -2.517 348 H MET 46 HN MET 46 11.713 38.583 -0.232 349 HA MET 46 HA MET 46 12.547 41.410 -0.605 350 1HB MET 46 HB2 MET 46 10.139 40.701 -0.764 351 2HB MET 46 HB1 MET 46 10.154 40.307 0.939 352 1HG MET 46 HG2 MET 46 9.293 42.600 0.529 353 2HG MET 46 HG1 MET 46 10.725 42.657 1.507 354 1HE MET 46 HE1 MET 46 12.978 44.974 -0.087 355 2HE MET 46 HE2 MET 46 13.410 43.266 -0.150 356 3HE MET 46 HE3 MET 46 12.550 43.925 1.244 357 H LEU 47 HN LEU 47 11.467 39.871 2.523 358 HA LEU 47 HA LEU 47 13.611 41.392 3.872 359 1HB LEU 47 HB2 LEU 47 11.120 40.032 4.962 360 2HB LEU 47 HB1 LEU 47 12.228 40.980 5.920 361 HG LEU 47 HG LEU 47 10.582 42.087 3.605 362 1HD1 LEU 47 HD11 LEU 47 9.341 43.205 5.446 363 2HD1 LEU 47 HD12 LEU 47 10.331 42.380 6.631 364 3HD1 LEU 47 HD13 LEU 47 9.229 41.466 5.607 365 1HD2 LEU 47 HD21 LEU 47 12.740 43.325 4.006 366 2HD2 LEU 47 HD22 LEU 47 12.339 43.440 5.713 367 3HD2 LEU 47 HD23 LEU 47 11.360 44.269 4.518 368 H ASP 48 HN ASP 48 15.323 40.249 5.172 369 HA ASP 48 HA ASP 48 15.181 37.307 4.891 370 1HB ASP 48 HB2 ASP 48 17.382 39.365 5.326 371 2HB ASP 48 HB1 ASP 48 17.575 37.651 5.742 372 H PHE 49 HN PHE 49 13.717 38.931 6.685 373 HA PHE 49 HA PHE 49 14.453 38.593 9.458 374 1HB PHE 49 HB2 PHE 49 11.765 39.020 8.046 375 2HB PHE 49 HB1 PHE 49 11.837 38.837 9.776 376 HD1 PHE 49 HD1 PHE 49 14.265 40.769 7.599 377 HD2 PHE 49 HD2 PHE 49 11.216 40.897 10.569 378 HE1 PHE 49 HE1 PHE 49 14.663 43.174 7.912 379 HE2 PHE 49 HE2 PHE 49 11.621 43.295 10.880 380 HZ PHE 49 HZ PHE 49 13.346 44.438 9.553 381 H LYS 50 HN LYS 50 12.958 37.047 10.907 382 HA LYS 50 HA LYS 50 13.545 34.534 11.058 383 1HB LYS 50 HB2 LYS 50 11.515 35.901 12.097 384 2HB LYS 50 HB1 LYS 50 10.545 34.921 11.021 385 1HG LYS 50 HG2 LYS 50 11.578 32.856 11.930 386 2HG LYS 50 HG1 LYS 50 12.657 33.821 12.916 387 1HD LYS 50 HD2 LYS 50 10.446 34.834 13.971 388 2HD LYS 50 HD1 LYS 50 9.620 33.505 13.181 389 1HE LYS 50 HE2 LYS 50 10.216 32.859 15.489 390 2HE LYS 50 HE1 LYS 50 11.168 31.889 14.361 391 1HZ LYS 50 HZ1 LYS 50 12.241 33.531 16.315 392 2HZ LYS 50 HZ2 LYS 50 12.481 34.380 14.854 393 3HZ LYS 50 HZ3 LYS 50 13.034 32.802 15.139 394 H GLY 51 HN GLY 51 11.556 35.326 8.304 395 1HA GLY 51 HA2 GLY 51 10.799 32.674 7.465 396 2HA GLY 51 HA1 GLY 51 10.854 34.104 6.428 397 H LYS 52 HN LYS 52 13.519 34.763 6.693 398 HA LYS 52 HA LYS 52 14.790 33.062 4.742 399 1HB LYS 52 HB2 LYS 52 15.890 35.229 5.011 400 2HB LYS 52 HB1 LYS 52 15.901 35.077 6.752 401 1HG LYS 52 HG2 LYS 52 17.657 33.323 6.691 402 2HG LYS 52 HG1 LYS 52 17.607 33.184 4.979 403 1HD LYS 52 HD2 LYS 52 19.520 34.459 5.399 404 2HD LYS 52 HD1 LYS 52 18.361 35.676 4.959 405 1HE LYS 52 HE2 LYS 52 17.888 35.803 7.543 406 2HE LYS 52 HE1 LYS 52 19.431 34.967 7.682 407 1HZ LYS 52 HZ1 LYS 52 18.989 37.676 7.150 408 2HZ LYS 52 HZ2 LYS 52 19.616 36.992 5.731 409 3HZ LYS 52 HZ3 LYS 52 20.513 36.900 7.184 410 H ALA 53 HN ALA 53 14.878 33.045 8.279 411 HA ALA 53 HA ALA 53 16.874 30.977 8.461 412 1HB ALA 53 HB1 ALA 53 16.016 30.741 10.761 413 2HB ALA 53 HB2 ALA 53 14.567 31.657 10.365 414 3HB ALA 53 HB3 ALA 53 16.137 32.434 10.362 415 H LYS 54 HN LYS 54 13.304 30.676 8.881 416 HA LYS 54 HA LYS 54 13.293 27.866 8.692 417 1HB LYS 54 HB2 LYS 54 11.298 30.039 8.101 418 2HB LYS 54 HB1 LYS 54 10.865 28.412 7.642 419 1HG LYS 54 HG2 LYS 54 10.002 28.548 9.764 420 2HG LYS 54 HG1 LYS 54 11.508 27.691 10.055 421 1HD LYS 54 HD2 LYS 54 12.476 30.160 10.540 422 2HD LYS 54 HD1 LYS 54 10.800 30.579 10.716 423 1HE LYS 54 HE2 LYS 54 12.447 28.668 12.387 424 2HE LYS 54 HE1 LYS 54 11.601 30.092 12.940 425 1HZ LYS 54 HZ1 LYS 54 10.662 27.465 12.815 426 2HZ LYS 54 HZ2 LYS 54 9.819 28.354 11.604 427 3HZ LYS 54 HZ3 LYS 54 9.743 28.820 13.257 428 H TRP 55 HN TRP 55 12.894 30.061 5.843 429 HA TRP 55 HA TRP 55 12.572 28.064 3.959 430 1HB TRP 55 HB2 TRP 55 12.264 30.572 3.610 431 2HB TRP 55 HB1 TRP 55 14.000 30.733 3.468 432 HD1 TRP 55 HD1 TRP 55 10.901 29.535 1.497 433 HE1 TRP 55 HE1 TRP 55 11.764 28.704 -0.728 434 HE3 TRP 55 HE3 TRP 55 15.958 29.620 2.085 435 HZ2 TRP 55 HZ2 TRP 55 13.960 28.252 -2.183 436 HZ3 TRP 55 HZ3 TRP 55 17.435 28.966 0.236 437 HH2 TRP 55 HH2 TRP 55 16.471 28.262 -1.918 438 H ASP 56 HN ASP 56 15.358 29.896 4.651 439 HA ASP 56 HA ASP 56 17.246 28.433 3.062 440 1HB ASP 56 HB2 ASP 56 17.693 30.050 5.589 441 2HB ASP 56 HB1 ASP 56 18.939 29.472 4.568 442 H ALA 57 HN ALA 57 16.544 28.041 6.533 443 HA ALA 57 HA ALA 57 18.331 25.976 7.066 444 1HB ALA 57 HB1 ALA 57 17.100 27.280 8.782 445 2HB ALA 57 HB2 ALA 57 16.787 25.563 9.035 446 3HB ALA 57 HB3 ALA 57 15.575 26.574 8.261 447 H TRP 58 HN TRP 58 15.078 25.962 5.661 448 HA TRP 58 HA TRP 58 14.948 23.014 5.575 449 1HB TRP 58 HB2 TRP 58 12.872 24.327 5.547 450 2HB TRP 58 HB1 TRP 58 13.430 25.247 4.180 451 HD1 TRP 58 HD1 TRP 58 14.180 21.385 3.908 452 HE1 TRP 58 HE1 TRP 58 12.484 20.628 2.110 453 HE3 TRP 58 HE3 TRP 58 11.185 25.459 3.373 454 HZ2 TRP 58 HZ2 TRP 58 10.300 21.399 0.669 455 HZ3 TRP 58 HZ3 TRP 58 9.264 25.414 1.813 456 HH2 TRP 58 HH2 TRP 58 8.837 23.396 0.451 457 H ASN 59 HN ASN 59 15.535 25.550 3.172 458 HA ASN 59 HA ASN 59 16.186 24.071 0.945 459 1HB ASN 59 HB2 ASN 59 16.316 26.544 0.818 460 2HB ASN 59 HB1 ASN 59 17.404 26.577 2.158 461 1HD2 ASN 59 HD21 ASN 59 19.284 27.224 1.629 462 2HD2 ASN 59 HD22 ASN 59 20.104 26.874 0.159 463 H GLU 60 HN GLU 60 18.238 24.764 3.565 464 HA GLU 60 HA GLU 60 20.690 23.682 2.938 465 1HB GLU 60 HB2 GLU 60 20.070 24.813 5.063 466 2HB GLU 60 HB1 GLU 60 19.134 23.412 5.515 467 1HG GLU 60 HG2 GLU 60 21.226 22.000 5.420 468 2HG GLU 60 HG1 GLU 60 22.151 23.480 5.189 469 H LEU 61 HN LEU 61 17.798 21.961 3.527 470 HA LEU 61 HA LEU 61 18.893 19.281 3.751 471 1HB LEU 61 HB2 LEU 61 16.052 20.148 3.637 472 2HB LEU 61 HB1 LEU 61 16.672 18.611 4.192 473 HG LEU 61 HG LEU 61 17.203 21.330 5.515 474 1HD1 LEU 61 HD11 LEU 61 15.804 18.807 6.449 475 2HD1 LEU 61 HD12 LEU 61 15.044 20.325 5.994 476 3HD1 LEU 61 HD13 LEU 61 16.094 20.252 7.415 477 1HD2 LEU 61 HD21 LEU 61 19.273 19.949 5.668 478 2HD2 LEU 61 HD22 LEU 61 18.336 18.618 6.347 479 3HD2 LEU 61 HD23 LEU 61 18.488 20.139 7.210 480 H LYS 62 HN LYS 62 18.204 21.107 0.989 481 HA LYS 62 HA LYS 62 16.912 19.279 -0.701 482 1HB LYS 62 HB2 LYS 62 17.293 21.660 -1.185 483 2HB LYS 62 HB1 LYS 62 19.024 21.441 -1.211 484 1HG LYS 62 HG2 LYS 62 18.721 19.814 -3.185 485 2HG LYS 62 HG1 LYS 62 17.035 20.251 -3.240 486 1HD LYS 62 HD2 LYS 62 19.440 22.116 -3.576 487 2HD LYS 62 HD1 LYS 62 18.353 21.604 -4.861 488 1HE LYS 62 HE2 LYS 62 16.467 22.843 -3.829 489 2HE LYS 62 HE1 LYS 62 17.471 23.237 -2.442 490 1HZ LYS 62 HZ1 LYS 62 18.912 23.989 -4.704 491 2HZ LYS 62 HZ2 LYS 62 18.238 24.985 -3.498 492 3HZ LYS 62 HZ3 LYS 62 17.355 24.629 -4.912 493 H GLY 63 HN GLY 63 17.577 17.329 -1.130 494 1HA GLY 63 HA2 GLY 63 19.320 15.834 -2.171 495 2HA GLY 63 HA1 GLY 63 20.540 16.710 -1.261 496 H THR 64 HN THR 64 18.523 16.566 1.090 497 HA THR 64 HA THR 64 19.632 13.998 2.070 498 HB THR 64 HB THR 64 17.725 15.927 3.572 499 HG1 THR 64 HG1 THR 64 19.597 16.948 3.559 500 1HG2 THR 64 HG21 THR 64 17.990 13.536 4.525 501 2HG2 THR 64 HG22 THR 64 18.654 14.822 5.525 502 3HG2 THR 64 HG23 THR 64 19.731 13.852 4.535 503 H SER 65 HN SER 65 18.391 12.123 2.558 504 HA SER 65 HA SER 65 16.081 11.743 0.834 505 1HB SER 65 HB2 SER 65 16.716 9.559 1.119 506 2HB SER 65 HB1 SER 65 17.800 10.019 2.422 507 HG SER 65 HG1 SER 65 16.522 9.119 3.661 508 H LYS 66 HN LYS 66 13.847 11.476 1.210 509 HA LYS 66 HA LYS 66 12.643 13.150 3.074 510 1HB LYS 66 HB2 LYS 66 10.599 11.708 2.603 511 2HB LYS 66 HB1 LYS 66 11.423 12.227 1.155 512 1HG LYS 66 HG2 LYS 66 12.627 9.969 1.067 513 2HG LYS 66 HG1 LYS 66 11.769 9.478 2.507 514 1HD LYS 66 HD2 LYS 66 9.582 9.730 1.301 515 2HD LYS 66 HD1 LYS 66 10.454 10.213 -0.140 516 1HE LYS 66 HE2 LYS 66 9.984 7.836 -0.354 517 2HE LYS 66 HE1 LYS 66 11.707 7.997 -0.057 518 1HZ LYS 66 HZ1 LYS 66 11.460 6.757 1.882 519 2HZ LYS 66 HZ2 LYS 66 9.850 6.561 1.481 520 3HZ LYS 66 HZ3 LYS 66 10.334 7.857 2.436 521 H GLU 67 HN GLU 67 13.590 9.827 3.262 522 HA GLU 67 HA GLU 67 12.469 9.208 5.813 523 1HB GLU 67 HB2 GLU 67 14.155 7.956 3.747 524 2HB GLU 67 HB1 GLU 67 14.574 7.420 5.333 525 1HG GLU 67 HG2 GLU 67 12.144 6.765 5.742 526 2HG GLU 67 HG1 GLU 67 11.694 7.485 4.209 527 H ASP 68 HN ASP 68 15.721 10.373 4.860 528 HA ASP 68 HA ASP 68 16.725 10.071 7.540 529 1HB ASP 68 HB2 ASP 68 17.437 11.468 4.958 530 2HB ASP 68 HB1 ASP 68 18.424 11.763 6.379 531 H ALA 69 HN ALA 69 15.283 12.595 5.774 532 HA ALA 69 HA ALA 69 15.327 14.636 7.838 533 1HB ALA 69 HB1 ALA 69 13.454 15.667 6.490 534 2HB ALA 69 HB2 ALA 69 13.225 14.125 5.653 535 3HB ALA 69 HB3 ALA 69 14.708 15.020 5.434 536 H MET 70 HN MET 70 12.558 12.315 6.951 537 HA MET 70 HA MET 70 10.965 12.669 9.084 538 1HB MET 70 HB2 MET 70 11.775 10.362 7.308 539 2HB MET 70 HB1 MET 70 10.505 10.131 8.445 540 1HG MET 70 HG2 MET 70 9.227 11.931 7.344 541 2HG MET 70 HG1 MET 70 10.549 12.332 6.321 542 1HE MET 70 HE1 MET 70 7.562 9.892 6.901 543 2HE MET 70 HE2 MET 70 7.161 9.720 5.211 544 3HE MET 70 HE3 MET 70 7.221 11.319 5.901 545 H LYS 71 HN LYS 71 13.235 10.095 8.837 546 HA LYS 71 HA LYS 71 13.203 8.914 11.341 547 1HB LYS 71 HB2 LYS 71 15.618 9.359 9.530 548 2HB LYS 71 HB1 LYS 71 15.736 8.405 10.983 549 1HG LYS 71 HG2 LYS 71 14.192 6.744 10.153 550 2HG LYS 71 HG1 LYS 71 13.808 7.747 8.761 551 1HD LYS 71 HD2 LYS 71 16.163 7.637 7.942 552 2HD LYS 71 HD1 LYS 71 16.687 6.825 9.382 553 1HE LYS 71 HE2 LYS 71 16.583 5.319 7.412 554 2HE LYS 71 HE1 LYS 71 15.562 4.765 8.734 555 1HZ LYS 71 HZ1 LYS 71 14.721 5.451 6.065 556 2HZ LYS 71 HZ2 LYS 71 14.029 6.516 7.178 557 3HZ LYS 71 HZ3 LYS 71 13.814 4.842 7.281 558 H ALA 72 HN ALA 72 15.690 11.332 10.396 559 HA ALA 72 HA ALA 72 16.687 11.781 12.924 560 1HB ALA 72 HB1 ALA 72 17.761 12.433 10.782 561 2HB ALA 72 HB2 ALA 72 17.618 13.846 11.803 562 3HB ALA 72 HB3 ALA 72 16.493 13.594 10.469 563 H TYR 73 HN TYR 73 13.922 13.288 11.261 564 HA TYR 73 HA TYR 73 13.538 15.372 13.180 565 1HB TYR 73 HB2 TYR 73 12.642 15.370 10.883 566 2HB TYR 73 HB1 TYR 73 11.669 13.974 11.222 567 HD1 TYR 73 HD1 TYR 73 9.798 14.186 13.011 568 HD2 TYR 73 HD2 TYR 73 11.842 17.506 11.309 569 HE1 TYR 73 HE1 TYR 73 7.981 15.689 13.708 570 HE2 TYR 73 HE2 TYR 73 10.051 18.969 11.992 571 HH TYR 73 HH TYR 73 7.997 19.093 12.846 572 H ILE 74 HN ILE 74 12.294 12.225 12.832 573 HA ILE 74 HA ILE 74 10.372 12.154 14.971 574 HB ILE 74 HB ILE 74 12.036 9.849 13.812 575 1HG1 ILE 74 HG12 ILE 74 9.101 10.530 13.335 576 2HG1 ILE 74 HG11 ILE 74 10.342 11.211 12.300 577 1HG2 ILE 74 HG21 ILE 74 9.507 9.862 15.550 578 2HG2 ILE 74 HG22 ILE 74 11.096 9.334 16.091 579 3HG2 ILE 74 HG23 ILE 74 10.250 8.433 14.859 580 1HD1 ILE 74 HD1 ILE 74 9.840 8.230 12.728 581 2HD1 ILE 74 HD2 ILE 74 11.088 8.883 11.691 582 3HD1 ILE 74 HD3 ILE 74 9.388 9.130 11.297 583 H ASP 75 HN ASP 75 13.689 11.005 14.906 584 HA ASP 75 HA ASP 75 13.867 10.420 17.684 585 1HB ASP 75 HB2 ASP 75 15.811 10.938 15.396 586 2HB ASP 75 HB1 ASP 75 16.345 10.459 16.986 587 H LYS 76 HN LYS 76 15.040 13.142 15.840 588 HA LYS 76 HA LYS 76 16.018 14.791 17.907 589 1HB LYS 76 HB2 LYS 76 15.822 15.086 15.244 590 2HB LYS 76 HB1 LYS 76 14.458 16.048 15.681 591 1HG LYS 76 HG2 LYS 76 17.163 16.470 17.009 592 2HG LYS 76 HG1 LYS 76 16.697 17.357 15.586 593 1HD LYS 76 HD2 LYS 76 14.507 17.988 16.876 594 2HD LYS 76 HD1 LYS 76 15.332 17.387 18.315 595 1HE LYS 76 HE2 LYS 76 16.480 19.492 16.581 596 2HE LYS 76 HE1 LYS 76 15.444 19.798 17.966 597 1HZ LYS 76 HZ1 LYS 76 17.441 17.903 18.736 598 2HZ LYS 76 HZ2 LYS 76 17.192 19.516 19.280 599 3HZ LYS 76 HZ3 LYS 76 18.172 19.208 17.945 600 H VAL 77 HN VAL 77 12.623 14.722 16.663 601 HA VAL 77 HA VAL 77 11.663 16.639 18.537 602 HB VAL 77 HB VAL 77 10.453 14.378 16.884 603 1HG1 VAL 77 HG11 VAL 77 9.101 14.630 19.013 604 2HG1 VAL 77 HG12 VAL 77 8.230 15.307 17.652 605 3HG1 VAL 77 HG13 VAL 77 9.041 16.367 18.748 606 1HG2 VAL 77 HG21 VAL 77 9.402 16.329 15.673 607 2HG2 VAL 77 HG22 VAL 77 11.138 16.535 15.727 608 3HG2 VAL 77 HG23 VAL 77 10.088 17.425 16.840 609 H GLU 78 HN GLU 78 12.069 13.134 18.508 610 HA GLU 78 HA GLU 78 10.875 12.646 21.042 611 1HB GLU 78 HB2 GLU 78 12.241 11.096 19.119 612 2HB GLU 78 HB1 GLU 78 13.309 10.962 20.473 613 1HG GLU 78 HG2 GLU 78 10.379 10.093 20.231 614 2HG GLU 78 HG1 GLU 78 11.736 9.129 20.763 615 H GLU 79 HN GLU 79 14.135 13.759 20.187 616 HA GLU 79 HA GLU 79 15.378 13.688 22.772 617 1HB GLU 79 HB2 GLU 79 15.705 15.781 20.531 618 2HB GLU 79 HB1 GLU 79 16.689 15.787 21.960 619 1HG GLU 79 HG2 GLU 79 17.966 13.936 21.234 620 2HG GLU 79 HG1 GLU 79 16.730 13.380 20.113 621 H LEU 80 HN LEU 80 13.789 16.256 21.011 622 HA LEU 80 HA LEU 80 13.455 18.118 23.132 623 1HB LEU 80 HB2 LEU 80 11.462 17.551 20.888 624 2HB LEU 80 HB1 LEU 80 11.450 18.983 21.897 625 HG LEU 80 HG LEU 80 13.561 18.182 19.881 626 1HD1 LEU 80 HD11 LEU 80 11.438 19.147 19.025 627 2HD1 LEU 80 HD12 LEU 80 12.742 20.305 18.816 628 3HD1 LEU 80 HD13 LEU 80 11.609 20.506 20.134 629 1HD2 LEU 80 HD21 LEU 80 14.572 20.397 20.369 630 2HD2 LEU 80 HD22 LEU 80 14.684 19.373 21.787 631 3HD2 LEU 80 HD23 LEU 80 13.476 20.663 21.694 632 H LYS 81 HN LYS 81 11.614 15.318 22.529 633 HA LYS 81 HA LYS 81 9.514 16.090 24.430 634 1HB LYS 81 HB2 LYS 81 9.186 14.460 22.603 635 2HB LYS 81 HB1 LYS 81 10.194 13.274 23.417 636 1HG LYS 81 HG2 LYS 81 8.693 13.349 25.393 637 2HG LYS 81 HG1 LYS 81 7.753 14.628 24.644 638 1HD LYS 81 HD2 LYS 81 7.213 13.023 22.744 639 2HD LYS 81 HD1 LYS 81 8.050 11.758 23.613 640 1HE LYS 81 HE2 LYS 81 5.634 11.594 24.023 641 2HE LYS 81 HE1 LYS 81 6.490 11.951 25.531 642 1HZ LYS 81 HZ1 LYS 81 4.520 13.557 24.177 643 2HZ LYS 81 HZ2 LYS 81 5.943 14.303 24.132 644 3HZ LYS 81 HZ3 LYS 81 5.289 13.943 25.659 645 H LYS 82 HN LYS 82 12.299 13.965 24.543 646 HA LYS 82 HA LYS 82 11.963 13.344 27.399 647 1HB LYS 82 HB2 LYS 82 14.430 13.202 25.593 648 2HB LYS 82 HB1 LYS 82 14.460 12.679 27.275 649 1HG LYS 82 HG2 LYS 82 12.473 11.139 26.737 650 2HG LYS 82 HG1 LYS 82 12.696 11.533 25.049 651 1HD LYS 82 HD2 LYS 82 14.997 10.462 26.762 652 2HD LYS 82 HD1 LYS 82 13.868 9.372 26.013 653 1HE LYS 82 HE2 LYS 82 15.410 11.456 24.408 654 2HE LYS 82 HE1 LYS 82 16.040 9.838 24.704 655 1HZ LYS 82 HZ1 LYS 82 14.628 9.032 23.073 656 2HZ LYS 82 HZ2 LYS 82 14.029 10.599 22.812 657 3HZ LYS 82 HZ3 LYS 82 13.319 9.697 23.938 658 H LYS 83 HN LYS 83 13.585 15.813 25.678 659 HA LYS 83 HA LYS 83 15.011 17.169 27.757 660 1HB LYS 83 HB2 LYS 83 15.272 17.208 25.215 661 2HB LYS 83 HB1 LYS 83 13.964 18.327 25.198 662 1HG LYS 83 HG2 LYS 83 15.191 19.986 26.544 663 2HG LYS 83 HG1 LYS 83 16.558 18.886 26.680 664 1HD LYS 83 HD2 LYS 83 16.792 18.871 24.171 665 2HD LYS 83 HD1 LYS 83 15.383 19.882 24.020 666 1HE LYS 83 HE2 LYS 83 17.382 21.245 23.709 667 2HE LYS 83 HE1 LYS 83 16.599 21.751 25.192 668 1HZ LYS 83 HZ1 LYS 83 18.485 21.184 26.328 669 2HZ LYS 83 HZ2 LYS 83 19.191 20.706 24.838 670 3HZ LYS 83 HZ3 LYS 83 18.321 19.596 25.771 671 H TYR 84 HN TYR 84 12.102 17.990 26.213 672 HA TYR 84 HA TYR 84 11.424 19.992 28.378 673 1HB TYR 84 HB2 TYR 84 10.513 19.898 25.473 674 2HB TYR 84 HB1 TYR 84 9.979 21.079 26.649 675 HD1 TYR 84 HD1 TYR 84 12.325 20.511 24.097 676 HD2 TYR 84 HD2 TYR 84 11.982 22.320 27.937 677 HE1 TYR 84 HE1 TYR 84 14.278 21.973 23.611 678 HE2 TYR 84 HE2 TYR 84 13.907 23.743 27.442 679 HH TYR 84 HH TYR 84 15.250 24.480 25.818 680 H GLY 85 HN GLY 85 10.120 17.258 26.717 681 1HA GLY 85 HA2 GLY 85 8.141 16.081 26.871 682 2HA GLY 85 HA1 GLY 85 8.395 16.284 28.581 683 H ILE 86 HN ILE 86 6.370 16.014 28.927 684 HA ILE 86 HA ILE 86 4.383 18.150 28.222 685 HB ILE 86 HB ILE 86 4.023 15.633 27.439 686 1HG1 ILE 86 HG12 ILE 86 1.509 15.779 27.958 687 2HG1 ILE 86 HG11 ILE 86 1.870 17.235 28.856 688 1HG2 ILE 86 HG21 ILE 86 4.461 14.553 29.673 689 2HG2 ILE 86 HG22 ILE 86 2.837 14.184 29.113 690 3HG2 ILE 86 HG23 ILE 86 3.086 15.411 30.346 691 1HD1 ILE 86 HD1 ILE 86 2.883 18.263 26.763 692 2HD1 ILE 86 HD2 ILE 86 1.234 17.779 26.473 693 3HD1 ILE 86 HD3 ILE 86 2.548 16.778 25.896 Start of MODEL 2 1 1H SER 1 HT1 SER 1 9.016 6.030 10.376 2 2H SER 1 HT2 SER 1 10.266 5.058 9.747 3 3H SER 1 HT3 SER 1 8.831 4.364 10.307 4 HA SER 1 HA SER 1 9.365 5.240 7.701 5 1HB SER 1 HB2 SER 1 7.107 4.162 7.318 6 2HB SER 1 HB1 SER 1 7.968 3.182 8.497 7 HG SER 1 HG1 SER 1 6.672 4.049 10.152 8 H GLN 2 HN GLN 2 6.215 6.080 8.874 9 HA GLN 2 HA GLN 2 6.732 8.986 8.469 10 1HB GLN 2 HB2 GLN 2 5.697 8.428 6.437 11 2HB GLN 2 HB1 GLN 2 4.685 7.198 7.163 12 1HG GLN 2 HG2 GLN 2 3.026 8.732 7.814 13 2HG GLN 2 HG1 GLN 2 4.189 9.982 8.191 14 1HE2 GLN 2 HE21 GLN 2 3.673 11.681 7.157 15 2HE2 GLN 2 HE22 GLN 2 3.321 11.758 5.484 16 H ALA 3 HN ALA 3 4.277 6.732 9.848 17 HA ALA 3 HA ALA 3 2.753 8.624 11.208 18 1HB ALA 3 HB1 ALA 3 2.211 6.707 12.741 19 2HB ALA 3 HB2 ALA 3 3.596 5.819 12.125 20 3HB ALA 3 HB3 ALA 3 2.241 6.198 11.067 21 H GLU 4 HN GLU 4 5.685 7.006 12.336 22 HA GLU 4 HA GLU 4 5.925 8.162 14.873 23 1HB GLU 4 HB2 GLU 4 8.290 7.853 13.118 24 2HB GLU 4 HB1 GLU 4 8.207 7.456 14.810 25 1HG GLU 4 HG2 GLU 4 8.061 5.226 14.055 26 2HG GLU 4 HG1 GLU 4 6.368 5.608 13.876 27 H PHE 5 HN PHE 5 6.655 9.446 11.850 28 HA PHE 5 HA PHE 5 7.972 11.899 12.840 29 1HB PHE 5 HB2 PHE 5 8.792 11.073 10.740 30 2HB PHE 5 HB1 PHE 5 7.147 10.836 10.183 31 HD1 PHE 5 HD1 PHE 5 5.894 12.550 9.156 32 HD2 PHE 5 HD2 PHE 5 9.633 13.455 10.961 33 HE1 PHE 5 HE1 PHE 5 5.826 14.760 8.165 34 HE2 PHE 5 HE2 PHE 5 9.613 15.664 9.923 35 HZ PHE 5 HZ PHE 5 7.666 16.334 8.511 36 H ASP 6 HN ASP 6 4.828 11.267 11.107 37 HA ASP 6 HA ASP 6 3.889 13.901 11.231 38 1HB ASP 6 HB2 ASP 6 2.249 11.395 11.823 39 2HB ASP 6 HB1 ASP 6 1.758 12.874 11.041 40 H LYS 7 HN LYS 7 3.666 11.242 13.419 41 HA LYS 7 HA LYS 7 2.489 12.394 15.695 42 1HB LYS 7 HB2 LYS 7 2.982 9.976 15.531 43 2HB LYS 7 HB1 LYS 7 4.695 10.285 15.446 44 1HG LYS 7 HG2 LYS 7 4.451 11.370 17.825 45 2HG LYS 7 HG1 LYS 7 2.860 10.642 17.878 46 1HD LYS 7 HD2 LYS 7 3.892 8.392 17.349 47 2HD LYS 7 HD1 LYS 7 5.475 9.127 17.367 48 1HE LYS 7 HE2 LYS 7 3.613 9.035 19.788 49 2HE LYS 7 HE1 LYS 7 4.902 7.875 19.501 50 1HZ LYS 7 HZ1 LYS 7 5.865 10.553 19.253 51 2HZ LYS 7 HZ2 LYS 7 6.412 9.399 20.371 52 3HZ LYS 7 HZ3 LYS 7 5.089 10.455 20.669 53 H ALA 8 HN ALA 8 6.137 12.099 15.019 54 HA ALA 8 HA ALA 8 6.779 13.715 17.230 55 1HB ALA 8 HB1 ALA 8 8.338 12.458 15.790 56 2HB ALA 8 HB2 ALA 8 8.892 14.115 15.875 57 3HB ALA 8 HB3 ALA 8 8.040 13.549 14.447 58 H ALA 9 HN ALA 9 5.899 14.687 14.138 59 HA ALA 9 HA ALA 9 6.174 17.572 14.483 60 1HB ALA 9 HB1 ALA 9 4.389 16.068 12.521 61 2HB ALA 9 HB2 ALA 9 6.066 16.521 12.264 62 3HB ALA 9 HB3 ALA 9 4.833 17.768 12.381 63 H GLU 10 HN GLU 10 3.266 15.556 14.981 64 HA GLU 10 HA GLU 10 1.624 17.876 15.570 65 1HB GLU 10 HB2 GLU 10 0.485 15.869 14.745 66 2HB GLU 10 HB1 GLU 10 1.264 14.849 15.948 67 1HG GLU 10 HG2 GLU 10 -1.041 15.275 16.684 68 2HG GLU 10 HG1 GLU 10 -0.024 16.149 17.780 69 H GLU 11 HN GLU 11 3.512 15.435 17.413 70 HA GLU 11 HA GLU 11 2.616 16.396 19.927 71 1HB GLU 11 HB2 GLU 11 5.057 14.833 18.891 72 2HB GLU 11 HB1 GLU 11 4.850 15.167 20.573 73 1HG GLU 11 HG2 GLU 11 2.607 13.880 20.482 74 2HG GLU 11 HG1 GLU 11 2.961 13.497 18.817 75 H VAL 12 HN VAL 12 5.518 17.250 17.913 76 HA VAL 12 HA VAL 12 6.618 19.119 19.731 77 HB VAL 12 HB VAL 12 7.199 18.292 17.164 78 1HG1 VAL 12 HG11 VAL 12 6.587 21.286 16.880 79 2HG1 VAL 12 HG12 VAL 12 5.733 19.995 16.038 80 3HG1 VAL 12 HG13 VAL 12 7.416 20.298 15.698 81 1HG2 VAL 12 HG21 VAL 12 8.339 20.708 18.595 82 2HG2 VAL 12 HG22 VAL 12 9.146 19.826 17.313 83 3HG2 VAL 12 HG23 VAL 12 8.840 19.037 18.848 84 H LYS 13 HN LYS 13 4.130 19.589 17.229 85 HA LYS 13 HA LYS 13 3.553 22.321 17.717 86 1HB LYS 13 HB2 LYS 13 1.643 20.035 17.079 87 2HB LYS 13 HB1 LYS 13 1.192 21.713 16.977 88 1HG LYS 13 HG2 LYS 13 3.644 20.760 15.500 89 2HG LYS 13 HG1 LYS 13 2.055 20.314 14.926 90 1HD LYS 13 HD2 LYS 13 1.403 22.736 14.845 91 2HD LYS 13 HD1 LYS 13 2.912 23.211 15.593 92 1HE LYS 13 HE2 LYS 13 2.890 23.583 13.111 93 2HE LYS 13 HE1 LYS 13 4.180 22.503 13.645 94 1HZ LYS 13 HZ1 LYS 13 1.900 20.937 13.271 95 2HZ LYS 13 HZ2 LYS 13 3.292 20.911 12.307 96 3HZ LYS 13 HZ3 LYS 13 2.016 21.930 11.890 97 H HIS 14 HN HIS 14 3.332 19.960 19.978 98 HA HIS 14 HA HIS 14 1.512 21.546 21.716 99 1HB HIS 14 HB2 HIS 14 1.473 18.521 21.317 100 2HB HIS 14 HB1 HIS 14 0.553 19.342 22.574 101 HD1 HIS 14 HD1 HIS 14 0.619 18.902 18.898 102 HD2 HIS 14 HD2 HIS 14 -1.676 20.788 21.706 103 HE1 HIS 14 HE1 HIS 14 -1.485 19.651 17.755 104 H LEU 15 HN LEU 15 4.619 21.038 21.645 105 HA LEU 15 HA LEU 15 5.211 19.552 24.051 106 1HB LEU 15 HB2 LEU 15 6.582 21.951 22.827 107 2HB LEU 15 HB1 LEU 15 7.271 21.127 24.199 108 HG LEU 15 HG LEU 15 6.654 19.710 21.616 109 1HD1 LEU 15 HD11 LEU 15 8.318 21.525 21.265 110 2HD1 LEU 15 HD12 LEU 15 9.135 19.973 21.247 111 3HD1 LEU 15 HD13 LEU 15 9.222 20.992 22.675 112 1HD2 LEU 15 HD21 LEU 15 6.907 18.239 23.653 113 2HD2 LEU 15 HD22 LEU 15 8.417 19.044 24.041 114 3HD2 LEU 15 HD23 LEU 15 8.281 18.058 22.585 115 H LYS 16 HN LYS 16 5.641 20.225 26.287 116 HA LYS 16 HA LYS 16 3.718 22.105 27.291 117 1HB LYS 16 HB2 LYS 16 4.522 20.191 28.668 118 2HB LYS 16 HB1 LYS 16 6.175 20.763 28.597 119 1HG LYS 16 HG2 LYS 16 5.654 22.745 29.903 120 2HG LYS 16 HG1 LYS 16 3.938 22.453 29.846 121 1HD LYS 16 HD2 LYS 16 5.843 20.449 31.175 122 2HD LYS 16 HD1 LYS 16 5.356 21.879 32.048 123 1HE LYS 16 HE2 LYS 16 3.813 20.262 32.791 124 2HE LYS 16 HE1 LYS 16 2.912 21.148 31.573 125 1HZ LYS 16 HZ1 LYS 16 3.536 18.335 31.492 126 2HZ LYS 16 HZ2 LYS 16 4.313 19.053 30.269 127 3HZ LYS 16 HZ3 LYS 16 2.705 19.197 30.346 128 H THR 17 HN THR 17 6.671 22.512 25.857 129 HA THR 17 HA THR 17 6.724 25.410 26.603 130 HB THR 17 HB THR 17 9.195 23.620 26.702 131 HG1 THR 17 HG1 THR 17 7.168 24.260 28.415 132 1HG2 THR 17 HG21 THR 17 9.774 26.077 26.350 133 2HG2 THR 17 HG22 THR 17 10.181 25.471 27.935 134 3HG2 THR 17 HG23 THR 17 8.752 26.450 27.748 135 H LYS 18 HN LYS 18 8.300 26.588 25.316 136 HA LYS 18 HA LYS 18 8.018 25.899 22.428 137 1HB LYS 18 HB2 LYS 18 8.431 28.517 23.907 138 2HB LYS 18 HB1 LYS 18 9.112 28.396 22.311 139 1HG LYS 18 HG2 LYS 18 7.113 29.247 21.726 140 2HG LYS 18 HG1 LYS 18 6.684 27.552 21.637 141 1HD LYS 18 HD2 LYS 18 5.811 27.703 24.008 142 2HD LYS 18 HD1 LYS 18 6.221 29.417 24.018 143 1HE LYS 18 HE2 LYS 18 4.794 29.560 21.837 144 2HE LYS 18 HE1 LYS 18 4.171 27.980 22.290 145 1HZ LYS 18 HZ1 LYS 18 2.840 28.929 23.792 146 2HZ LYS 18 HZ2 LYS 18 3.340 30.484 23.295 147 3HZ LYS 18 HZ3 LYS 18 4.138 29.674 24.558 148 HA PRO 19 HA PRO 19 12.366 25.002 23.053 149 1HB PRO 19 HB2 PRO 19 12.947 23.674 20.815 150 2HB PRO 19 HB1 PRO 19 11.763 22.996 21.922 151 1HG PRO 19 HG2 PRO 19 11.108 24.779 19.502 152 2HG PRO 19 HG1 PRO 19 10.528 23.138 19.789 153 1HD PRO 19 HD2 PRO 19 9.054 25.265 20.611 154 2HD PRO 19 HD1 PRO 19 9.168 23.821 21.656 155 H ALA 20 HN ALA 20 14.403 25.677 21.896 156 HA ALA 20 HA ALA 20 14.286 28.464 21.270 157 1HB ALA 20 HB1 ALA 20 16.530 26.422 20.927 158 2HB ALA 20 HB2 ALA 20 16.201 27.348 22.381 159 3HB ALA 20 HB3 ALA 20 16.739 28.166 20.927 160 H ASP 21 HN ASP 21 14.990 29.559 19.344 161 HA ASP 21 HA ASP 21 13.578 28.854 17.063 162 1HB ASP 21 HB2 ASP 21 14.745 31.085 17.600 163 2HB ASP 21 HB1 ASP 21 16.245 30.373 16.996 164 H GLU 22 HN GLU 22 17.065 27.927 17.741 165 HA GLU 22 HA GLU 22 17.553 26.593 15.370 166 1HB GLU 22 HB2 GLU 22 18.457 25.786 18.201 167 2HB GLU 22 HB1 GLU 22 19.273 25.326 16.732 168 1HG GLU 22 HG2 GLU 22 20.616 27.148 17.427 169 2HG GLU 22 HG1 GLU 22 19.492 27.980 16.383 170 H GLU 23 HN GLU 23 15.901 25.333 18.266 171 HA GLU 23 HA GLU 23 15.672 22.634 17.269 172 1HB GLU 23 HB2 GLU 23 14.227 24.336 19.398 173 2HB GLU 23 HB1 GLU 23 13.891 22.627 19.244 174 1HG GLU 23 HG2 GLU 23 16.365 22.145 19.788 175 2HG GLU 23 HG1 GLU 23 16.668 23.856 19.908 176 H MET 24 HN MET 24 13.614 25.487 17.270 177 HA MET 24 HA MET 24 11.356 24.494 15.788 178 1HB MET 24 HB2 MET 24 12.621 27.279 15.797 179 2HB MET 24 HB1 MET 24 11.126 26.912 14.950 180 1HG MET 24 HG2 MET 24 10.935 25.975 17.655 181 2HG MET 24 HG1 MET 24 11.371 27.652 17.655 182 1HE MET 24 HE1 MET 24 10.333 29.376 16.493 183 2HE MET 24 HE2 MET 24 8.612 29.560 16.360 184 3HE MET 24 HE3 MET 24 9.510 28.901 14.990 185 H LEU 25 HN LEU 25 14.353 25.927 14.581 186 HA LEU 25 HA LEU 25 14.011 25.800 11.846 187 1HB LEU 25 HB2 LEU 25 16.232 26.027 13.860 188 2HB LEU 25 HB1 LEU 25 16.739 25.643 12.247 189 HG LEU 25 HG LEU 25 14.822 27.915 12.860 190 1HD1 LEU 25 HD11 LEU 25 16.953 28.341 14.076 191 2HD1 LEU 25 HD12 LEU 25 16.786 29.414 12.705 192 3HD1 LEU 25 HD13 LEU 25 17.866 28.039 12.610 193 1HD2 LEU 25 HD21 LEU 25 15.158 26.949 10.510 194 2HD2 LEU 25 HD22 LEU 25 16.850 27.353 10.660 195 3HD2 LEU 25 HD23 LEU 25 15.661 28.633 10.596 196 H PHE 26 HN PHE 26 15.729 23.500 13.906 197 HA PHE 26 HA PHE 26 16.455 21.609 11.912 198 1HB PHE 26 HB2 PHE 26 17.109 21.625 14.380 199 2HB PHE 26 HB1 PHE 26 15.514 21.036 14.785 200 HD1 PHE 26 HD1 PHE 26 14.869 18.846 13.057 201 HD2 PHE 26 HD2 PHE 26 18.729 19.987 14.479 202 HE1 PHE 26 HE1 PHE 26 15.656 16.562 12.759 203 HE2 PHE 26 HE2 PHE 26 19.505 17.678 14.168 204 HZ PHE 26 HZ PHE 26 17.961 15.960 13.319 205 H ILE 27 HN ILE 27 13.570 21.749 14.014 206 HA ILE 27 HA ILE 27 12.101 19.697 12.701 207 HB ILE 27 HB ILE 27 11.480 22.169 14.241 208 1HG1 ILE 27 HG12 ILE 27 10.485 20.447 15.876 209 2HG1 ILE 27 HG11 ILE 27 10.875 19.171 14.741 210 1HG2 ILE 27 HG21 ILE 27 9.253 20.322 13.183 211 2HG2 ILE 27 HG22 ILE 27 9.423 21.999 12.772 212 3HG2 ILE 27 HG23 ILE 27 9.012 21.550 14.393 213 1HD1 ILE 27 HD1 ILE 27 13.329 19.736 15.042 214 2HD1 ILE 27 HD2 ILE 27 12.534 19.182 16.493 215 3HD1 ILE 27 HD3 ILE 27 12.867 20.884 16.297 216 H TYR 28 HN TYR 28 11.125 22.986 12.344 217 HA TYR 28 HA TYR 28 9.730 23.147 10.038 218 1HB TYR 28 HB2 TYR 28 10.712 25.256 11.029 219 2HB TYR 28 HB1 TYR 28 12.226 24.928 10.186 220 HD1 TYR 28 HD1 TYR 28 8.669 25.832 9.763 221 HD2 TYR 28 HD2 TYR 28 12.325 25.086 7.683 222 HE1 TYR 28 HE1 TYR 28 7.705 26.729 7.673 223 HE2 TYR 28 HE2 TYR 28 11.333 25.978 5.644 224 HH TYR 28 HH TYR 28 9.205 27.810 5.244 225 H SER 29 HN SER 29 13.359 23.141 9.552 226 HA SER 29 HA SER 29 13.267 22.782 6.831 227 1HB SER 29 HB2 SER 29 15.720 22.357 7.273 228 2HB SER 29 HB1 SER 29 15.141 23.629 8.320 229 HG SER 29 HG1 SER 29 14.948 22.248 9.970 230 H HIS 30 HN HIS 30 13.691 20.374 9.376 231 HA HIS 30 HA HIS 30 13.819 18.167 7.515 232 1HB HIS 30 HB2 HIS 30 13.434 18.388 10.542 233 2HB HIS 30 HB1 HIS 30 13.625 16.841 9.728 234 HD1 HIS 30 HD1 HIS 30 15.585 20.092 9.778 235 HD2 HIS 30 HD2 HIS 30 16.194 16.048 9.725 236 HE1 HIS 30 HE1 HIS 30 18.043 19.753 9.868 237 H TYR 31 HN TYR 31 11.189 19.830 9.066 238 HA TYR 31 HA TYR 31 9.214 17.713 8.699 239 1HB TYR 31 HB2 TYR 31 8.814 19.746 10.253 240 2HB TYR 31 HB1 TYR 31 8.666 20.751 8.837 241 HD1 TYR 31 HD1 TYR 31 7.224 17.665 10.463 242 HD2 TYR 31 HD2 TYR 31 6.613 20.810 7.639 243 HE1 TYR 31 HE1 TYR 31 4.888 16.959 10.184 244 HE2 TYR 31 HE2 TYR 31 4.257 20.077 7.389 245 HH TYR 31 HH TYR 31 3.034 17.192 8.966 246 H LYS 32 HN LYS 32 10.206 20.643 6.994 247 HA LYS 32 HA LYS 32 8.538 20.180 4.633 248 1HB LYS 32 HB2 LYS 32 11.161 21.693 4.855 249 2HB LYS 32 HB1 LYS 32 10.041 21.750 3.527 250 1HG LYS 32 HG2 LYS 32 9.483 22.792 6.323 251 2HG LYS 32 HG1 LYS 32 9.731 23.736 4.900 252 1HD LYS 32 HD2 LYS 32 7.330 21.923 5.345 253 2HD LYS 32 HD1 LYS 32 7.339 23.672 5.278 254 1HE LYS 32 HE2 LYS 32 7.948 23.665 2.910 255 2HE LYS 32 HE1 LYS 32 8.035 21.906 2.867 256 1HZ LYS 32 HZ1 LYS 32 5.829 21.821 2.569 257 2HZ LYS 32 HZ2 LYS 32 5.835 23.518 2.447 258 3HZ LYS 32 HZ3 LYS 32 5.549 22.791 3.965 259 H GLN 33 HN GLN 33 12.066 19.386 5.111 260 HA GLN 33 HA GLN 33 12.242 17.941 2.658 261 1HB GLN 33 HB2 GLN 33 13.598 17.304 5.303 262 2HB GLN 33 HB1 GLN 33 13.994 16.469 3.811 263 1HG GLN 33 HG2 GLN 33 14.234 19.474 4.218 264 2HG GLN 33 HG1 GLN 33 15.548 18.329 4.291 265 1HE2 GLN 33 HE21 GLN 33 14.843 16.658 1.946 266 2HE2 GLN 33 HE22 GLN 33 15.098 17.702 0.638 267 H ALA 34 HN ALA 34 11.244 16.648 5.837 268 HA ALA 34 HA ALA 34 10.845 13.974 5.132 269 1HB ALA 34 HB1 ALA 34 10.887 14.879 7.423 270 2HB ALA 34 HB2 ALA 34 9.410 13.979 7.166 271 3HB ALA 34 HB3 ALA 34 9.400 15.734 7.115 272 H THR 35 HN THR 35 8.390 16.502 5.177 273 HA THR 35 HA THR 35 6.484 14.659 3.914 274 HB THR 35 HB THR 35 4.842 16.568 4.101 275 HG1 THR 35 HG1 THR 35 7.091 17.925 5.183 276 1HG2 THR 35 HG21 THR 35 5.018 17.000 6.492 277 2HG2 THR 35 HG22 THR 35 6.700 16.482 6.549 278 3HG2 THR 35 HG23 THR 35 5.424 15.302 6.243 279 H VAL 36 HN VAL 36 8.168 17.427 2.843 280 HA VAL 36 HA VAL 36 6.963 17.012 0.102 281 HB VAL 36 HB VAL 36 8.342 19.487 1.274 282 1HG1 VAL 36 HG11 VAL 36 6.976 19.038 -1.442 283 2HG1 VAL 36 HG12 VAL 36 8.701 19.261 -1.228 284 3HG1 VAL 36 HG13 VAL 36 7.602 20.568 -0.867 285 1HG2 VAL 36 HG21 VAL 36 5.442 18.873 0.528 286 2HG2 VAL 36 HG22 VAL 36 6.022 20.437 1.062 287 3HG2 VAL 36 HG23 VAL 36 6.045 19.054 2.164 288 H GLY 37 HN GLY 37 9.991 17.574 1.682 289 1HA GLY 37 HA2 GLY 37 12.030 16.246 0.980 290 2HA GLY 37 HA1 GLY 37 11.441 16.333 -0.667 291 H ASP 38 HN ASP 38 13.068 17.167 -1.651 292 HA ASP 38 HA ASP 38 14.699 19.225 -0.748 293 1HB ASP 38 HB2 ASP 38 13.985 18.577 -3.648 294 2HB ASP 38 HB1 ASP 38 15.467 19.201 -2.951 295 H ILE 39 HN ILE 39 14.343 21.281 -0.524 296 HA ILE 39 HA ILE 39 11.929 22.676 -0.836 297 HB ILE 39 HB ILE 39 13.997 23.320 0.259 298 1HG1 ILE 39 HG12 ILE 39 12.821 25.545 -1.453 299 2HG1 ILE 39 HG11 ILE 39 11.740 24.647 -0.497 300 1HG2 ILE 39 HG21 ILE 39 14.791 24.313 -2.539 301 2HG2 ILE 39 HG22 ILE 39 15.696 23.137 -1.574 302 3HG2 ILE 39 HG23 ILE 39 15.566 24.809 -1.078 303 1HD1 ILE 39 HD1 ILE 39 13.382 24.846 1.500 304 2HD1 ILE 39 HD2 ILE 39 12.600 26.291 1.057 305 3HD1 ILE 39 HD3 ILE 39 14.264 26.015 0.561 306 H ASN 40 HN ASN 40 10.801 23.036 -2.399 307 HA ASN 40 HA ASN 40 11.717 22.799 -5.253 308 1HB ASN 40 HB2 ASN 40 8.993 23.921 -4.188 309 2HB ASN 40 HB1 ASN 40 9.304 23.413 -5.835 310 1HD2 ASN 40 HD21 ASN 40 9.583 20.995 -6.177 311 2HD2 ASN 40 HD22 ASN 40 8.936 19.968 -4.975 312 H THR 41 HN THR 41 10.005 25.480 -3.493 313 HA THR 41 HA THR 41 12.380 27.135 -3.777 314 HB THR 41 HB THR 41 11.057 29.035 -4.706 315 HG1 THR 41 HG1 THR 41 8.969 27.627 -5.512 316 1HG2 THR 41 HG21 THR 41 12.059 27.381 -6.344 317 2HG2 THR 41 HG22 THR 41 10.610 28.168 -6.975 318 3HG2 THR 41 HG23 THR 41 10.537 26.517 -6.341 319 H GLU 42 HN GLU 42 8.867 27.551 -2.772 320 HA GLU 42 HA GLU 42 8.157 28.970 -1.180 321 1HB GLU 42 HB2 GLU 42 9.746 26.812 0.240 322 2HB GLU 42 HB1 GLU 42 8.669 27.809 1.161 323 1HG GLU 42 HG2 GLU 42 6.808 26.765 -0.625 324 2HG GLU 42 HG1 GLU 42 7.969 25.447 -0.628 325 H ARG 43 HN ARG 43 10.933 29.656 -1.753 326 HA ARG 43 HA ARG 43 12.109 30.823 0.508 327 1HB ARG 43 HB2 ARG 43 13.084 30.066 -1.770 328 2HB ARG 43 HB1 ARG 43 12.538 31.607 -2.324 329 1HG ARG 43 HG2 ARG 43 13.821 32.805 -0.626 330 2HG ARG 43 HG1 ARG 43 14.410 31.289 0.034 331 1HD ARG 43 HD2 ARG 43 15.377 30.739 -2.166 332 2HD ARG 43 HD1 ARG 43 14.787 32.288 -2.790 333 HE ARG 43 HE ARG 43 16.069 33.305 -0.750 334 1HH1 ARG 43 HH11 ARG 43 17.289 32.003 -3.119 335 2HH1 ARG 43 HH12 ARG 43 18.844 31.476 -2.516 336 1HH2 ARG 43 HH21 ARG 43 17.670 32.007 0.761 337 2HH2 ARG 43 HH22 ARG 43 19.027 31.517 -0.143 338 HA PRO 44 HA PRO 44 10.151 34.689 1.407 339 1HB PRO 44 HB2 PRO 44 13.074 35.430 0.995 340 2HB PRO 44 HB1 PRO 44 11.932 36.130 2.107 341 1HG PRO 44 HG2 PRO 44 13.563 34.164 2.948 342 2HG PRO 44 HG1 PRO 44 11.893 34.166 3.516 343 1HD PRO 44 HD2 PRO 44 13.216 32.311 1.549 344 2HD PRO 44 HD1 PRO 44 11.713 32.085 2.453 345 H GLY 45 HN GLY 45 12.629 35.044 -0.880 346 1HA GLY 45 HA2 GLY 45 12.801 35.820 -3.119 347 2HA GLY 45 HA1 GLY 45 11.077 35.523 -3.270 348 H MET 46 HN MET 46 9.812 37.008 -2.081 349 HA MET 46 HA MET 46 10.477 39.839 -2.781 350 1HB MET 46 HB2 MET 46 7.795 39.998 -2.451 351 2HB MET 46 HB1 MET 46 8.463 39.332 -3.910 352 1HG MET 46 HG2 MET 46 8.133 37.045 -3.121 353 2HG MET 46 HG1 MET 46 7.518 37.592 -1.598 354 1HE MET 46 HE1 MET 46 4.249 36.500 -2.181 355 2HE MET 46 HE2 MET 46 4.370 38.145 -1.526 356 3HE MET 46 HE3 MET 46 5.568 36.906 -1.119 357 H LEU 47 HN LEU 47 8.484 38.307 -0.332 358 HA LEU 47 HA LEU 47 9.356 40.219 1.777 359 1HB LEU 47 HB2 LEU 47 7.030 38.240 1.560 360 2HB LEU 47 HB1 LEU 47 7.351 39.088 3.043 361 HG LEU 47 HG LEU 47 5.490 40.123 1.701 362 1HD1 LEU 47 HD11 LEU 47 6.318 42.444 1.914 363 2HD1 LEU 47 HD12 LEU 47 7.967 41.869 2.036 364 3HD1 LEU 47 HD13 LEU 47 6.805 41.486 3.298 365 1HD2 LEU 47 HD21 LEU 47 6.449 39.719 -0.578 366 2HD2 LEU 47 HD22 LEU 47 7.691 40.919 -0.232 367 3HD2 LEU 47 HD23 LEU 47 6.013 41.401 -0.318 368 H ASP 48 HN ASP 48 10.100 39.410 3.908 369 HA ASP 48 HA ASP 48 11.275 36.646 3.790 370 1HB ASP 48 HB2 ASP 48 12.196 39.029 5.477 371 2HB ASP 48 HB1 ASP 48 12.976 37.464 5.396 372 H PHE 49 HN PHE 49 8.652 38.012 5.056 373 HA PHE 49 HA PHE 49 8.594 37.701 7.723 374 1HB PHE 49 HB2 PHE 49 6.557 37.282 5.489 375 2HB PHE 49 HB1 PHE 49 6.068 37.130 7.163 376 HD1 PHE 49 HD1 PHE 49 8.113 39.668 5.128 377 HD2 PHE 49 HD2 PHE 49 5.102 38.987 8.070 378 HE1 PHE 49 HE1 PHE 49 7.794 42.050 5.341 379 HE2 PHE 49 HE2 PHE 49 4.782 41.416 8.267 380 HZ PHE 49 HZ PHE 49 6.128 42.951 6.900 381 H LYS 50 HN LYS 50 7.076 34.969 5.876 382 HA LYS 50 HA LYS 50 6.611 33.083 7.521 383 1HB LYS 50 HB2 LYS 50 8.711 32.673 5.292 384 2HB LYS 50 HB1 LYS 50 7.677 31.434 5.974 385 1HG LYS 50 HG2 LYS 50 5.671 32.782 5.175 386 2HG LYS 50 HG1 LYS 50 6.781 33.852 4.330 387 1HD LYS 50 HD2 LYS 50 7.763 32.010 3.036 388 2HD LYS 50 HD1 LYS 50 6.856 30.826 3.930 389 1HE LYS 50 HE2 LYS 50 5.766 32.787 1.876 390 2HE LYS 50 HE1 LYS 50 5.842 31.033 1.778 391 1HZ LYS 50 HZ1 LYS 50 3.935 30.851 2.890 392 2HZ LYS 50 HZ2 LYS 50 3.732 32.530 2.839 393 3HZ LYS 50 HZ3 LYS 50 4.507 31.799 4.169 394 H GLY 51 HN GLY 51 10.046 32.743 6.727 395 1HA GLY 51 HA2 GLY 51 11.140 33.244 9.268 396 2HA GLY 51 HA1 GLY 51 10.756 31.510 9.136 397 H LYS 52 HN LYS 52 12.110 34.151 7.017 398 HA LYS 52 HA LYS 52 13.427 32.783 5.077 399 1HB LYS 52 HB2 LYS 52 13.746 35.191 5.440 400 2HB LYS 52 HB1 LYS 52 14.628 34.907 6.915 401 1HG LYS 52 HG2 LYS 52 16.490 33.791 5.646 402 2HG LYS 52 HG1 LYS 52 15.604 33.970 4.161 403 1HD LYS 52 HD2 LYS 52 16.263 36.446 5.851 404 2HD LYS 52 HD1 LYS 52 17.461 35.784 4.753 405 1HE LYS 52 HE2 LYS 52 15.883 36.019 2.873 406 2HE LYS 52 HE1 LYS 52 14.640 36.581 3.959 407 1HZ LYS 52 HZ1 LYS 52 16.610 38.095 2.669 408 2HZ LYS 52 HZ2 LYS 52 16.955 38.210 4.341 409 3HZ LYS 52 HZ3 LYS 52 15.432 38.651 3.725 410 H ALA 53 HN ALA 53 14.639 32.931 8.358 411 HA ALA 53 HA ALA 53 16.993 31.387 8.157 412 1HB ALA 53 HB1 ALA 53 16.520 31.074 10.632 413 2HB ALA 53 HB2 ALA 53 14.877 31.660 10.312 414 3HB ALA 53 HB3 ALA 53 16.250 32.722 10.088 415 H LYS 54 HN LYS 54 13.743 30.418 8.950 416 HA LYS 54 HA LYS 54 14.081 27.595 9.031 417 1HB LYS 54 HB2 LYS 54 11.547 29.104 8.188 418 2HB LYS 54 HB1 LYS 54 11.623 27.551 8.960 419 1HG LYS 54 HG2 LYS 54 12.504 30.101 10.392 420 2HG LYS 54 HG1 LYS 54 10.897 29.429 10.483 421 1HD LYS 54 HD2 LYS 54 11.779 27.284 11.366 422 2HD LYS 54 HD1 LYS 54 13.399 27.908 11.265 423 1HE LYS 54 HE2 LYS 54 11.273 29.178 13.034 424 2HE LYS 54 HE1 LYS 54 12.338 27.898 13.573 425 1HZ LYS 54 HZ1 LYS 54 13.914 29.920 12.377 426 2HZ LYS 54 HZ2 LYS 54 13.961 29.400 13.967 427 3HZ LYS 54 HZ3 LYS 54 12.965 30.643 13.582 428 H TRP 55 HN TRP 55 13.277 29.760 6.257 429 HA TRP 55 HA TRP 55 12.805 27.679 4.460 430 1HB TRP 55 HB2 TRP 55 12.195 30.105 4.142 431 2HB TRP 55 HB1 TRP 55 13.883 30.476 3.813 432 HD1 TRP 55 HD1 TRP 55 10.861 28.546 2.385 433 HE1 TRP 55 HE1 TRP 55 11.599 27.811 0.016 434 HE3 TRP 55 HE3 TRP 55 15.746 29.933 2.257 435 HZ2 TRP 55 HZ2 TRP 55 13.765 27.847 -1.692 436 HZ3 TRP 55 HZ3 TRP 55 17.122 29.564 0.258 437 HH2 TRP 55 HH2 TRP 55 16.005 28.512 -1.781 438 H ASP 56 HN ASP 56 15.460 29.785 4.727 439 HA ASP 56 HA ASP 56 17.312 28.557 3.010 440 1HB ASP 56 HB2 ASP 56 17.442 30.305 5.493 441 2HB ASP 56 HB1 ASP 56 18.898 29.879 4.644 442 H ALA 57 HN ALA 57 16.755 27.953 6.480 443 HA ALA 57 HA ALA 57 18.628 25.922 6.853 444 1HB ALA 57 HB1 ALA 57 17.184 25.342 8.838 445 2HB ALA 57 HB2 ALA 57 15.903 26.327 8.151 446 3HB ALA 57 HB3 ALA 57 17.408 27.083 8.655 447 H TRP 58 HN TRP 58 15.365 25.848 5.474 448 HA TRP 58 HA TRP 58 15.251 22.898 5.347 449 1HB TRP 58 HB2 TRP 58 13.143 24.225 5.324 450 2HB TRP 58 HB1 TRP 58 13.671 25.075 3.903 451 HD1 TRP 58 HD1 TRP 58 14.663 21.307 3.677 452 HE1 TRP 58 HE1 TRP 58 12.934 20.389 1.966 453 HE3 TRP 58 HE3 TRP 58 11.321 25.103 3.253 454 HZ2 TRP 58 HZ2 TRP 58 10.656 20.962 0.625 455 HZ3 TRP 58 HZ3 TRP 58 9.374 24.910 1.763 456 HH2 TRP 58 HH2 TRP 58 9.025 22.845 0.425 457 H ASN 59 HN ASN 59 15.602 25.480 2.785 458 HA ASN 59 HA ASN 59 16.393 23.959 0.672 459 1HB ASN 59 HB2 ASN 59 16.241 26.301 0.283 460 2HB ASN 59 HB1 ASN 59 17.037 26.692 1.788 461 1HD2 ASN 59 HD21 ASN 59 19.011 27.356 1.645 462 2HD2 ASN 59 HD22 ASN 59 20.064 27.133 0.297 463 H GLU 60 HN GLU 60 18.405 24.914 3.390 464 HA GLU 60 HA GLU 60 20.897 23.963 2.643 465 1HB GLU 60 HB2 GLU 60 20.628 25.204 4.691 466 2HB GLU 60 HB1 GLU 60 19.444 24.078 5.289 467 1HG GLU 60 HG2 GLU 60 21.312 22.298 5.415 468 2HG GLU 60 HG1 GLU 60 22.433 23.612 5.091 469 H LEU 61 HN LEU 61 18.177 22.180 4.034 470 HA LEU 61 HA LEU 61 19.511 19.584 3.956 471 1HB LEU 61 HB2 LEU 61 16.617 20.124 4.459 472 2HB LEU 61 HB1 LEU 61 17.541 18.690 4.920 473 HG LEU 61 HG LEU 61 18.014 21.465 6.061 474 1HD1 LEU 61 HD11 LEU 61 15.760 20.376 6.517 475 2HD1 LEU 61 HD12 LEU 61 16.786 20.535 7.932 476 3HD1 LEU 61 HD13 LEU 61 16.619 18.973 7.146 477 1HD2 LEU 61 HD21 LEU 61 19.975 19.884 6.146 478 2HD2 LEU 61 HD22 LEU 61 18.969 18.693 6.971 479 3HD2 LEU 61 HD23 LEU 61 19.326 20.239 7.724 480 H LYS 62 HN LYS 62 18.313 21.385 1.461 481 HA LYS 62 HA LYS 62 16.447 20.204 0.137 482 1HB LYS 62 HB2 LYS 62 17.829 21.978 -0.838 483 2HB LYS 62 HB1 LYS 62 19.176 20.919 -1.068 484 1HG LYS 62 HG2 LYS 62 17.394 19.444 -2.452 485 2HG LYS 62 HG1 LYS 62 16.420 20.892 -2.342 486 1HD LYS 62 HD2 LYS 62 18.143 22.115 -3.604 487 2HD LYS 62 HD1 LYS 62 19.115 20.654 -3.723 488 1HE LYS 62 HE2 LYS 62 16.202 20.847 -4.676 489 2HE LYS 62 HE1 LYS 62 17.578 21.033 -5.751 490 1HZ LYS 62 HZ1 LYS 62 18.022 18.687 -4.268 491 2HZ LYS 62 HZ2 LYS 62 17.615 18.741 -5.915 492 3HZ LYS 62 HZ3 LYS 62 16.454 18.559 -4.668 493 H GLY 63 HN GLY 63 19.500 18.265 -0.014 494 1HA GLY 63 HA2 GLY 63 17.803 16.315 -1.392 495 2HA GLY 63 HA1 GLY 63 19.551 16.346 -1.361 496 H THR 64 HN THR 64 17.435 16.715 1.226 497 HA THR 64 HA THR 64 18.543 14.367 2.745 498 HB THR 64 HB THR 64 16.629 16.616 3.584 499 HG1 THR 64 HG1 THR 64 18.606 17.308 3.282 500 1HG2 THR 64 HG21 THR 64 18.251 14.652 5.265 501 2HG2 THR 64 HG22 THR 64 16.504 14.494 5.062 502 3HG2 THR 64 HG23 THR 64 17.183 15.900 5.877 503 H SER 65 HN SER 65 17.371 12.448 2.603 504 HA SER 65 HA SER 65 14.982 12.374 1.020 505 1HB SER 65 HB2 SER 65 16.457 10.411 1.243 506 2HB SER 65 HB1 SER 65 16.078 10.250 2.956 507 HG SER 65 HG1 SER 65 14.637 9.341 0.906 508 H LYS 66 HN LYS 66 12.955 11.603 1.541 509 HA LYS 66 HA LYS 66 11.676 13.170 3.530 510 1HB LYS 66 HB2 LYS 66 10.786 10.766 1.818 511 2HB LYS 66 HB1 LYS 66 9.666 11.750 2.771 512 1HG LYS 66 HG2 LYS 66 10.272 13.758 1.755 513 2HG LYS 66 HG1 LYS 66 11.712 13.133 0.992 514 1HD LYS 66 HD2 LYS 66 10.114 11.757 -0.531 515 2HD LYS 66 HD1 LYS 66 8.815 12.747 0.172 516 1HE LYS 66 HE2 LYS 66 10.143 14.765 -0.253 517 2HE LYS 66 HE1 LYS 66 11.362 13.838 -1.095 518 1HZ LYS 66 HZ1 LYS 66 8.838 13.254 -2.250 519 2HZ LYS 66 HZ2 LYS 66 10.155 14.061 -2.966 520 3HZ LYS 66 HZ3 LYS 66 9.022 14.953 -2.060 521 H GLU 67 HN GLU 67 13.083 9.921 3.443 522 HA GLU 67 HA GLU 67 12.006 9.093 5.934 523 1HB GLU 67 HB2 GLU 67 14.140 8.135 3.962 524 2HB GLU 67 HB1 GLU 67 13.878 7.300 5.449 525 1HG GLU 67 HG2 GLU 67 11.370 7.021 4.600 526 2HG GLU 67 HG1 GLU 67 12.074 7.447 3.044 527 H ASP 68 HN ASP 68 15.205 10.451 4.757 528 HA ASP 68 HA ASP 68 16.633 10.294 7.143 529 1HB ASP 68 HB2 ASP 68 16.563 12.228 4.861 530 2HB ASP 68 HB1 ASP 68 17.821 12.187 6.064 531 H ALA 69 HN ALA 69 14.631 12.727 5.905 532 HA ALA 69 HA ALA 69 14.762 14.559 8.142 533 1HB ALA 69 HB1 ALA 69 12.833 15.624 6.909 534 2HB ALA 69 HB2 ALA 69 12.687 14.141 5.958 535 3HB ALA 69 HB3 ALA 69 14.109 15.132 5.815 536 H MET 70 HN MET 70 12.039 12.169 7.181 537 HA MET 70 HA MET 70 10.606 12.441 9.456 538 1HB MET 70 HB2 MET 70 11.318 10.248 7.537 539 2HB MET 70 HB1 MET 70 10.452 9.752 8.942 540 1HG MET 70 HG2 MET 70 8.884 11.788 8.311 541 2HG MET 70 HG1 MET 70 9.755 11.838 6.852 542 1HE MET 70 HE1 MET 70 8.743 11.614 5.106 543 2HE MET 70 HE2 MET 70 7.000 11.409 5.278 544 3HE MET 70 HE3 MET 70 7.990 10.168 4.478 545 H LYS 71 HN LYS 71 13.197 10.097 9.128 546 HA LYS 71 HA LYS 71 13.292 9.127 11.760 547 1HB LYS 71 HB2 LYS 71 15.608 9.433 9.810 548 2HB LYS 71 HB1 LYS 71 15.727 8.527 11.294 549 1HG LYS 71 HG2 LYS 71 14.233 6.846 10.646 550 2HG LYS 71 HG1 LYS 71 13.571 7.761 9.308 551 1HD LYS 71 HD2 LYS 71 16.532 6.859 9.407 552 2HD LYS 71 HD1 LYS 71 15.265 5.896 8.665 553 1HE LYS 71 HE2 LYS 71 14.663 7.700 7.217 554 2HE LYS 71 HE1 LYS 71 15.823 8.771 7.958 555 1HZ LYS 71 HZ1 LYS 71 17.326 8.068 6.387 556 2HZ LYS 71 HZ2 LYS 71 16.210 7.034 5.790 557 3HZ LYS 71 HZ3 LYS 71 17.225 6.492 7.032 558 H ALA 72 HN ALA 72 15.660 11.536 10.402 559 HA ALA 72 HA ALA 72 16.934 12.169 12.729 560 1HB ALA 72 HB1 ALA 72 17.512 14.245 11.389 561 2HB ALA 72 HB2 ALA 72 16.201 13.860 10.288 562 3HB ALA 72 HB3 ALA 72 17.587 12.800 10.398 563 H TYR 73 HN TYR 73 14.012 13.620 11.321 564 HA TYR 73 HA TYR 73 13.612 15.651 13.240 565 1HB TYR 73 HB2 TYR 73 12.586 15.456 10.974 566 2HB TYR 73 HB1 TYR 73 11.703 14.045 11.467 567 HD1 TYR 73 HD1 TYR 73 10.140 14.418 13.623 568 HD2 TYR 73 HD2 TYR 73 11.597 17.480 11.075 569 HE1 TYR 73 HE1 TYR 73 8.309 15.913 14.346 570 HE2 TYR 73 HE2 TYR 73 9.808 18.946 11.789 571 HH TYR 73 HH TYR 73 8.328 18.822 14.328 572 H ILE 74 HN ILE 74 12.088 12.520 12.926 573 HA ILE 74 HA ILE 74 10.551 12.246 15.210 574 HB ILE 74 HB ILE 74 12.236 10.253 13.665 575 1HG1 ILE 74 HG12 ILE 74 9.240 10.474 13.953 576 2HG1 ILE 74 HG11 ILE 74 10.105 11.407 12.754 577 1HG2 ILE 74 HG21 ILE 74 12.080 9.318 15.966 578 2HG2 ILE 74 HG22 ILE 74 11.068 8.415 14.881 579 3HG2 ILE 74 HG23 ILE 74 10.341 9.579 15.967 580 1HD1 ILE 74 HD1 ILE 74 10.252 8.363 12.966 581 2HD1 ILE 74 HD2 ILE 74 11.066 9.327 11.772 582 3HD1 ILE 74 HD3 ILE 74 9.317 9.222 11.750 583 H ASP 75 HN ASP 75 13.933 11.202 14.954 584 HA ASP 75 HA ASP 75 14.266 10.666 17.714 585 1HB ASP 75 HB2 ASP 75 16.005 11.239 15.288 586 2HB ASP 75 HB1 ASP 75 16.747 10.954 16.837 587 H LYS 76 HN LYS 76 14.966 13.500 15.811 588 HA LYS 76 HA LYS 76 16.073 15.175 17.823 589 1HB LYS 76 HB2 LYS 76 15.445 15.604 15.227 590 2HB LYS 76 HB1 LYS 76 14.082 16.409 15.906 591 1HG LYS 76 HG2 LYS 76 16.984 17.181 16.394 592 2HG LYS 76 HG1 LYS 76 15.694 18.134 15.736 593 1HD LYS 76 HD2 LYS 76 14.464 18.192 17.890 594 2HD LYS 76 HD1 LYS 76 15.757 17.279 18.651 595 1HE LYS 76 HE2 LYS 76 16.177 19.969 17.417 596 2HE LYS 76 HE1 LYS 76 15.882 19.696 19.135 597 1HZ LYS 76 HZ1 LYS 76 18.025 18.990 19.396 598 2HZ LYS 76 HZ2 LYS 76 18.326 19.437 17.772 599 3HZ LYS 76 HZ3 LYS 76 17.831 17.868 18.177 600 H VAL 77 HN VAL 77 12.656 14.762 16.929 601 HA VAL 77 HA VAL 77 11.637 16.496 18.945 602 HB VAL 77 HB VAL 77 10.404 14.127 17.437 603 1HG1 VAL 77 HG11 VAL 77 9.263 14.626 19.641 604 2HG1 VAL 77 HG12 VAL 77 8.242 15.143 18.311 605 3HG1 VAL 77 HG13 VAL 77 9.176 16.325 19.205 606 1HG2 VAL 77 HG21 VAL 77 10.173 17.204 17.164 607 2HG2 VAL 77 HG22 VAL 77 9.318 16.064 16.179 608 3HG2 VAL 77 HG23 VAL 77 11.062 16.163 16.050 609 H GLU 78 HN GLU 78 12.165 12.956 18.782 610 HA GLU 78 HA GLU 78 11.397 12.273 21.443 611 1HB GLU 78 HB2 GLU 78 12.243 10.527 19.988 612 2HB GLU 78 HB1 GLU 78 13.813 11.270 19.881 613 1HG GLU 78 HG2 GLU 78 13.850 9.355 21.469 614 2HG GLU 78 HG1 GLU 78 14.295 10.828 22.272 615 H GLU 79 HN GLU 79 14.465 13.877 20.339 616 HA GLU 79 HA GLU 79 15.610 14.082 22.941 617 1HB GLU 79 HB2 GLU 79 16.017 15.532 20.311 618 2HB GLU 79 HB1 GLU 79 16.593 16.354 21.737 619 1HG GLU 79 HG2 GLU 79 17.416 13.553 20.837 620 2HG GLU 79 HG1 GLU 79 18.417 14.993 20.745 621 H LEU 80 HN LEU 80 13.875 16.557 21.048 622 HA LEU 80 HA LEU 80 13.481 18.415 23.133 623 1HB LEU 80 HB2 LEU 80 11.574 17.742 20.871 624 2HB LEU 80 HB1 LEU 80 11.364 19.142 21.899 625 HG LEU 80 HG LEU 80 13.706 18.598 20.037 626 1HD1 LEU 80 HD11 LEU 80 11.468 20.671 20.045 627 2HD1 LEU 80 HD12 LEU 80 11.515 19.270 18.981 628 3HD1 LEU 80 HD13 LEU 80 12.718 20.540 18.824 629 1HD2 LEU 80 HD21 LEU 80 13.027 21.037 21.764 630 2HD2 LEU 80 HD22 LEU 80 14.372 20.924 20.654 631 3HD2 LEU 80 HD23 LEU 80 14.367 19.951 22.091 632 H LYS 81 HN LYS 81 11.851 15.513 22.661 633 HA LYS 81 HA LYS 81 9.530 15.986 24.340 634 1HB LYS 81 HB2 LYS 81 9.336 14.399 22.619 635 2HB LYS 81 HB1 LYS 81 10.830 13.601 22.999 636 1HG LYS 81 HG2 LYS 81 8.592 13.487 25.037 637 2HG LYS 81 HG1 LYS 81 8.484 12.474 23.621 638 1HD LYS 81 HD2 LYS 81 11.145 12.045 24.494 639 2HD LYS 81 HD1 LYS 81 10.279 12.206 26.013 640 1HE LYS 81 HE2 LYS 81 8.706 10.408 25.412 641 2HE LYS 81 HE1 LYS 81 9.377 10.339 23.787 642 1HZ LYS 81 HZ1 LYS 81 10.929 9.026 24.402 643 2HZ LYS 81 HZ2 LYS 81 10.371 8.893 26.037 644 3HZ LYS 81 HZ3 LYS 81 11.545 10.052 25.499 645 H LYS 82 HN LYS 82 12.519 14.235 24.729 646 HA LYS 82 HA LYS 82 12.029 13.619 27.540 647 1HB LYS 82 HB2 LYS 82 13.421 12.055 26.556 648 2HB LYS 82 HB1 LYS 82 13.966 13.194 25.353 649 1HG LYS 82 HG2 LYS 82 15.425 14.221 26.846 650 2HG LYS 82 HG1 LYS 82 14.966 13.221 28.221 651 1HD LYS 82 HD2 LYS 82 16.951 12.063 27.320 652 2HD LYS 82 HD1 LYS 82 15.607 11.182 26.632 653 1HE LYS 82 HE2 LYS 82 17.150 11.678 24.825 654 2HE LYS 82 HE1 LYS 82 15.744 12.687 24.581 655 1HZ LYS 82 HZ1 LYS 82 17.637 13.953 26.384 656 2HZ LYS 82 HZ2 LYS 82 17.019 14.526 24.894 657 3HZ LYS 82 HZ3 LYS 82 18.307 13.566 24.848 658 H LYS 83 HN LYS 83 13.836 15.943 25.725 659 HA LYS 83 HA LYS 83 15.169 17.424 27.720 660 1HB LYS 83 HB2 LYS 83 15.388 17.297 25.125 661 2HB LYS 83 HB1 LYS 83 14.144 18.500 25.097 662 1HG LYS 83 HG2 LYS 83 16.867 18.859 26.386 663 2HG LYS 83 HG1 LYS 83 16.399 19.457 24.813 664 1HD LYS 83 HD2 LYS 83 14.451 20.708 26.091 665 2HD LYS 83 HD1 LYS 83 15.336 20.295 27.539 666 1HE LYS 83 HE2 LYS 83 15.996 22.512 26.885 667 2HE LYS 83 HE1 LYS 83 17.353 21.418 26.620 668 1HZ LYS 83 HZ1 LYS 83 17.297 21.977 24.411 669 2HZ LYS 83 HZ2 LYS 83 15.976 23.010 24.733 670 3HZ LYS 83 HZ3 LYS 83 15.743 21.468 24.239 671 H TYR 84 HN TYR 84 12.245 18.066 26.120 672 HA TYR 84 HA TYR 84 11.423 20.133 28.154 673 1HB TYR 84 HB2 TYR 84 10.517 19.870 25.268 674 2HB TYR 84 HB1 TYR 84 9.844 21.009 26.395 675 HD1 TYR 84 HD1 TYR 84 12.170 20.633 23.886 676 HD2 TYR 84 HD2 TYR 84 11.672 22.520 27.649 677 HE1 TYR 84 HE1 TYR 84 13.885 22.262 23.285 678 HE2 TYR 84 HE2 TYR 84 13.404 24.173 27.036 679 HH TYR 84 HH TYR 84 14.721 24.381 23.856 680 H GLY 85 HN GLY 85 10.071 17.335 26.632 681 1HA GLY 85 HA2 GLY 85 8.069 16.161 26.914 682 2HA GLY 85 HA1 GLY 85 8.185 16.663 28.582 683 H ILE 86 HN ILE 86 5.909 16.095 27.671 684 HA ILE 86 HA ILE 86 4.390 18.641 27.111 685 HB ILE 86 HB ILE 86 4.263 16.538 25.527 686 1HG1 ILE 86 HG12 ILE 86 1.558 17.556 26.473 687 2HG1 ILE 86 HG11 ILE 86 2.681 18.637 25.679 688 1HG2 ILE 86 HG21 ILE 86 3.801 14.837 27.356 689 2HG2 ILE 86 HG22 ILE 86 2.499 14.890 26.183 690 3HG2 ILE 86 HG23 ILE 86 2.312 15.669 27.746 691 1HD1 ILE 86 HD1 ILE 86 2.735 17.157 23.647 692 2HD1 ILE 86 HD2 ILE 86 1.096 17.633 24.021 693 3HD1 ILE 86 HD3 ILE 86 1.647 16.021 24.420 Start of MODEL 3 1 1H SER 1 HT1 SER 1 -0.059 12.265 12.958 2 2H SER 1 HT2 SER 1 -0.171 13.005 14.512 3 3H SER 1 HT3 SER 1 -1.491 13.010 13.486 4 HA SER 1 HA SER 1 -0.805 11.157 15.428 5 1HB SER 1 HB2 SER 1 -3.253 10.445 14.656 6 2HB SER 1 HB1 SER 1 -2.970 12.012 15.426 7 HG SER 1 HG1 SER 1 -3.725 12.783 13.576 8 H GLN 2 HN GLN 2 0.062 10.456 12.184 9 HA GLN 2 HA GLN 2 -0.645 7.586 12.568 10 1HB GLN 2 HB2 GLN 2 0.097 7.465 10.055 11 2HB GLN 2 HB1 GLN 2 -1.360 8.344 10.410 12 1HG GLN 2 HG2 GLN 2 -0.489 10.411 9.815 13 2HG GLN 2 HG1 GLN 2 1.142 10.060 10.314 14 1HE2 GLN 2 HE21 GLN 2 2.355 10.465 8.393 15 2HE2 GLN 2 HE22 GLN 2 1.929 9.739 6.914 16 H ALA 3 HN ALA 3 1.942 8.461 10.640 17 HA ALA 3 HA ALA 3 3.792 6.554 11.773 18 1HB ALA 3 HB1 ALA 3 5.580 7.696 10.445 19 2HB ALA 3 HB2 ALA 3 4.524 9.072 10.187 20 3HB ALA 3 HB3 ALA 3 4.130 7.516 9.476 21 H GLU 4 HN GLU 4 5.617 6.827 13.100 22 HA GLU 4 HA GLU 4 5.234 8.285 15.476 23 1HB GLU 4 HB2 GLU 4 7.553 7.574 15.987 24 2HB GLU 4 HB1 GLU 4 6.722 6.285 15.135 25 1HG GLU 4 HG2 GLU 4 8.698 8.238 13.952 26 2HG GLU 4 HG1 GLU 4 8.934 6.521 14.138 27 H PHE 5 HN PHE 5 6.382 9.293 12.495 28 HA PHE 5 HA PHE 5 7.848 11.687 13.259 29 1HB PHE 5 HB2 PHE 5 8.431 10.568 11.146 30 2HB PHE 5 HB1 PHE 5 6.720 10.519 10.750 31 HD1 PHE 5 HD1 PHE 5 5.548 12.529 9.903 32 HD2 PHE 5 HD2 PHE 5 9.691 12.653 10.807 33 HE1 PHE 5 HE1 PHE 5 5.701 14.646 8.740 34 HE2 PHE 5 HE2 PHE 5 9.890 14.807 9.636 35 HZ PHE 5 HZ PHE 5 7.907 15.834 8.593 36 H ASP 6 HN ASP 6 4.504 11.155 11.639 37 HA ASP 6 HA ASP 6 3.824 13.865 11.889 38 1HB ASP 6 HB2 ASP 6 2.155 11.302 11.896 39 2HB ASP 6 HB1 ASP 6 1.555 12.919 11.518 40 H LYS 7 HN LYS 7 3.384 11.068 13.939 41 HA LYS 7 HA LYS 7 1.931 12.325 16.046 42 1HB LYS 7 HB2 LYS 7 2.528 9.819 15.747 43 2HB LYS 7 HB1 LYS 7 4.107 10.195 16.394 44 1HG LYS 7 HG2 LYS 7 3.197 10.946 18.515 45 2HG LYS 7 HG1 LYS 7 1.576 10.988 17.864 46 1HD LYS 7 HD2 LYS 7 1.409 8.581 17.714 47 2HD LYS 7 HD1 LYS 7 3.141 8.366 17.890 48 1HE LYS 7 HE2 LYS 7 2.059 7.755 19.988 49 2HE LYS 7 HE1 LYS 7 3.062 9.189 20.197 50 1HZ LYS 7 HZ1 LYS 7 1.388 10.360 20.778 51 2HZ LYS 7 HZ2 LYS 7 0.326 9.020 20.791 52 3HZ LYS 7 HZ3 LYS 7 0.495 10.005 19.389 53 H ALA 8 HN ALA 8 5.563 12.016 15.496 54 HA ALA 8 HA ALA 8 6.239 13.489 17.738 55 1HB ALA 8 HB1 ALA 8 7.518 13.087 14.983 56 2HB ALA 8 HB2 ALA 8 7.743 12.045 16.368 57 3HB ALA 8 HB3 ALA 8 8.452 13.615 16.340 58 H ALA 9 HN ALA 9 5.752 14.576 14.559 59 HA ALA 9 HA ALA 9 6.209 17.403 14.904 60 1HB ALA 9 HB1 ALA 9 4.907 17.736 12.799 61 2HB ALA 9 HB2 ALA 9 4.290 16.087 12.927 62 3HB ALA 9 HB3 ALA 9 6.007 16.376 12.667 63 H GLU 10 HN GLU 10 3.261 15.511 15.374 64 HA GLU 10 HA GLU 10 1.416 17.620 15.843 65 1HB GLU 10 HB2 GLU 10 1.044 15.373 14.897 66 2HB GLU 10 HB1 GLU 10 1.537 14.662 16.408 67 1HG GLU 10 HG2 GLU 10 -0.435 15.519 17.571 68 2HG GLU 10 HG1 GLU 10 -0.936 16.437 16.153 69 H GLU 11 HN GLU 11 3.305 15.402 17.966 70 HA GLU 11 HA GLU 11 2.319 16.615 20.352 71 1HB GLU 11 HB2 GLU 11 4.653 14.762 19.593 72 2HB GLU 11 HB1 GLU 11 4.354 15.212 21.230 73 1HG GLU 11 HG2 GLU 11 1.926 14.219 20.895 74 2HG GLU 11 HG1 GLU 11 2.539 13.554 19.406 75 H VAL 12 HN VAL 12 5.266 17.077 18.401 76 HA VAL 12 HA VAL 12 6.594 18.919 20.059 77 HB VAL 12 HB VAL 12 7.105 17.892 17.555 78 1HG1 VAL 12 HG11 VAL 12 7.624 19.810 16.036 79 2HG1 VAL 12 HG12 VAL 12 6.876 20.934 17.146 80 3HG1 VAL 12 HG13 VAL 12 5.906 19.722 16.311 81 1HG2 VAL 12 HG21 VAL 12 8.773 18.521 19.249 82 2HG2 VAL 12 HG22 VAL 12 8.457 20.224 18.950 83 3HG2 VAL 12 HG23 VAL 12 9.227 19.238 17.722 84 H LYS 13 HN LYS 13 4.246 19.605 17.471 85 HA LYS 13 HA LYS 13 4.135 22.437 17.937 86 1HB LYS 13 HB2 LYS 13 1.943 20.520 17.121 87 2HB LYS 13 HB1 LYS 13 1.765 22.261 17.019 88 1HG LYS 13 HG2 LYS 13 3.620 22.423 15.423 89 2HG LYS 13 HG1 LYS 13 3.951 20.715 15.537 90 1HD LYS 13 HD2 LYS 13 1.382 21.979 14.440 91 2HD LYS 13 HD1 LYS 13 2.634 21.160 13.507 92 1HE LYS 13 HE2 LYS 13 2.186 19.128 14.951 93 2HE LYS 13 HE1 LYS 13 0.720 19.900 15.530 94 1HZ LYS 13 HZ1 LYS 13 -0.318 19.334 13.618 95 2HZ LYS 13 HZ2 LYS 13 1.079 18.459 13.154 96 3HZ LYS 13 HZ3 LYS 13 0.906 20.084 12.706 97 H HIS 14 HN HIS 14 3.526 20.224 20.207 98 HA HIS 14 HA HIS 14 1.790 22.026 21.801 99 1HB HIS 14 HB2 HIS 14 1.478 18.994 21.509 100 2HB HIS 14 HB1 HIS 14 0.605 19.959 22.690 101 HD1 HIS 14 HD1 HIS 14 0.624 19.188 19.077 102 HD2 HIS 14 HD2 HIS 14 -1.389 21.694 21.598 103 HE1 HIS 14 HE1 HIS 14 -1.329 20.070 17.805 104 H LEU 15 HN LEU 15 4.806 21.276 21.662 105 HA LEU 15 HA LEU 15 5.435 19.744 23.977 106 1HB LEU 15 HB2 LEU 15 6.836 22.126 22.753 107 2HB LEU 15 HB1 LEU 15 7.518 21.310 24.128 108 HG LEU 15 HG LEU 15 7.042 20.078 21.459 109 1HD1 LEU 15 HD11 LEU 15 9.506 21.012 22.960 110 2HD1 LEU 15 HD12 LEU 15 8.803 21.766 21.539 111 3HD1 LEU 15 HD13 LEU 15 9.531 20.178 21.413 112 1HD2 LEU 15 HD21 LEU 15 8.402 19.042 24.000 113 2HD2 LEU 15 HD22 LEU 15 8.417 18.176 22.467 114 3HD2 LEU 15 HD23 LEU 15 6.920 18.388 23.345 115 H LYS 16 HN LYS 16 5.821 20.210 26.128 116 HA LYS 16 HA LYS 16 4.167 22.002 27.466 117 1HB LYS 16 HB2 LYS 16 5.549 20.010 28.336 118 2HB LYS 16 HB1 LYS 16 6.926 21.073 28.396 119 1HG LYS 16 HG2 LYS 16 5.782 22.568 29.984 120 2HG LYS 16 HG1 LYS 16 4.325 21.600 29.896 121 1HD LYS 16 HD2 LYS 16 6.346 19.681 30.468 122 2HD LYS 16 HD1 LYS 16 6.917 21.087 31.325 123 1HE LYS 16 HE2 LYS 16 5.505 19.576 32.742 124 2HE LYS 16 HE1 LYS 16 4.808 21.196 32.611 125 1HZ LYS 16 HZ1 LYS 16 2.950 20.189 31.682 126 2HZ LYS 16 HZ2 LYS 16 3.753 18.682 31.574 127 3HZ LYS 16 HZ3 LYS 16 3.964 19.751 30.401 128 H THR 17 HN THR 17 7.011 22.667 25.876 129 HA THR 17 HA THR 17 6.884 25.591 26.417 130 HB THR 17 HB THR 17 9.337 23.892 27.063 131 HG1 THR 17 HG1 THR 17 7.193 24.740 28.449 132 1HG2 THR 17 HG21 THR 17 10.190 26.125 26.336 133 2HG2 THR 17 HG22 THR 17 10.311 25.864 28.053 134 3HG2 THR 17 HG23 THR 17 9.030 26.883 27.448 135 H LYS 18 HN LYS 18 8.878 26.657 25.151 136 HA LYS 18 HA LYS 18 8.615 25.674 22.354 137 1HB LYS 18 HB2 LYS 18 8.128 28.136 22.788 138 2HB LYS 18 HB1 LYS 18 9.839 28.352 23.147 139 1HG LYS 18 HG2 LYS 18 10.248 27.134 20.793 140 2HG LYS 18 HG1 LYS 18 8.554 27.422 20.512 141 1HD LYS 18 HD2 LYS 18 9.669 29.209 19.413 142 2HD LYS 18 HD1 LYS 18 9.081 29.935 20.895 143 1HE LYS 18 HE2 LYS 18 11.364 29.570 21.920 144 2HE LYS 18 HE1 LYS 18 11.926 28.944 20.374 145 1HZ LYS 18 HZ1 LYS 18 10.666 31.347 19.777 146 2HZ LYS 18 HZ2 LYS 18 12.305 31.015 19.688 147 3HZ LYS 18 HZ3 LYS 18 11.681 31.658 21.115 148 HA PRO 19 HA PRO 19 12.908 24.324 22.663 149 1HB PRO 19 HB2 PRO 19 12.693 23.902 19.688 150 2HB PRO 19 HB1 PRO 19 13.143 22.738 20.942 151 1HG PRO 19 HG2 PRO 19 10.684 22.579 19.797 152 2HG PRO 19 HG1 PRO 19 10.854 22.374 21.551 153 1HD PRO 19 HD2 PRO 19 10.071 24.922 20.036 154 2HD PRO 19 HD1 PRO 19 9.228 24.108 21.397 155 H ALA 20 HN ALA 20 14.936 24.863 21.450 156 HA ALA 20 HA ALA 20 15.262 27.763 21.353 157 1HB ALA 20 HB1 ALA 20 17.160 26.160 21.860 158 2HB ALA 20 HB2 ALA 20 17.575 27.267 20.567 159 3HB ALA 20 HB3 ALA 20 17.128 25.613 20.194 160 H ASP 21 HN ASP 21 15.552 29.145 19.328 161 HA ASP 21 HA ASP 21 13.720 28.337 17.330 162 1HB ASP 21 HB2 ASP 21 15.861 30.545 17.638 163 2HB ASP 21 HB1 ASP 21 14.751 30.510 16.264 164 H GLU 22 HN GLU 22 17.220 27.792 17.531 165 HA GLU 22 HA GLU 22 17.389 26.916 14.833 166 1HB GLU 22 HB2 GLU 22 19.025 25.584 17.101 167 2HB GLU 22 HB1 GLU 22 19.570 26.006 15.494 168 1HG GLU 22 HG2 GLU 22 20.634 27.683 16.839 169 2HG GLU 22 HG1 GLU 22 19.182 28.503 16.267 170 H GLU 23 HN GLU 23 16.166 25.314 17.768 171 HA GLU 23 HA GLU 23 16.001 22.696 16.521 172 1HB GLU 23 HB2 GLU 23 14.676 23.944 19.022 173 2HB GLU 23 HB1 GLU 23 14.409 22.270 18.579 174 1HG GLU 23 HG2 GLU 23 16.972 21.941 18.739 175 2HG GLU 23 HG1 GLU 23 17.086 23.560 19.373 176 H MET 24 HN MET 24 13.720 25.342 17.241 177 HA MET 24 HA MET 24 11.358 24.433 15.993 178 1HB MET 24 HB2 MET 24 12.568 27.260 15.889 179 2HB MET 24 HB1 MET 24 10.928 26.905 15.418 180 1HG MET 24 HG2 MET 24 11.981 26.391 18.196 181 2HG MET 24 HG1 MET 24 11.137 27.836 17.730 182 1HE MET 24 HE1 MET 24 7.505 26.843 17.419 183 2HE MET 24 HE2 MET 24 8.612 27.103 16.082 184 3HE MET 24 HE3 MET 24 8.679 28.139 17.539 185 H LEU 25 HN LEU 25 14.052 26.163 14.520 186 HA LEU 25 HA LEU 25 13.300 26.077 11.854 187 1HB LEU 25 HB2 LEU 25 15.830 26.438 13.473 188 2HB LEU 25 HB1 LEU 25 15.974 26.322 11.755 189 HG LEU 25 HG LEU 25 14.068 28.308 13.075 190 1HD1 LEU 25 HD11 LEU 25 16.416 28.778 13.746 191 2HD1 LEU 25 HD12 LEU 25 15.832 29.974 12.601 192 3HD1 LEU 25 HD13 LEU 25 16.922 28.698 12.067 193 1HD2 LEU 25 HD21 LEU 25 13.736 27.671 10.653 194 2HD2 LEU 25 HD22 LEU 25 15.390 28.158 10.314 195 3HD2 LEU 25 HD23 LEU 25 14.214 29.350 10.845 196 H PHE 26 HN PHE 26 15.297 23.870 13.753 197 HA PHE 26 HA PHE 26 16.061 22.172 11.558 198 1HB PHE 26 HB2 PHE 26 17.045 21.980 13.869 199 2HB PHE 26 HB1 PHE 26 15.542 21.290 14.463 200 HD1 PHE 26 HD1 PHE 26 14.693 19.091 13.345 201 HD2 PHE 26 HD2 PHE 26 18.610 20.635 12.684 202 HE1 PHE 26 HE1 PHE 26 15.413 16.898 12.532 203 HE2 PHE 26 HE2 PHE 26 19.325 18.432 11.853 204 HZ PHE 26 HZ PHE 26 17.725 16.561 11.780 205 H ILE 27 HN ILE 27 13.372 21.980 13.860 206 HA ILE 27 HA ILE 27 11.993 19.771 12.666 207 HB ILE 27 HB ILE 27 11.253 22.176 14.311 208 1HG1 ILE 27 HG12 ILE 27 10.512 20.497 16.030 209 2HG1 ILE 27 HG11 ILE 27 10.731 19.188 14.892 210 1HG2 ILE 27 HG21 ILE 27 9.114 20.253 13.220 211 2HG2 ILE 27 HG22 ILE 27 9.191 21.962 12.902 212 3HG2 ILE 27 HG23 ILE 27 8.821 21.404 14.501 213 1HD1 ILE 27 HD1 ILE 27 12.622 19.275 16.479 214 2HD1 ILE 27 HD2 ILE 27 12.951 20.939 16.043 215 3HD1 ILE 27 HD3 ILE 27 13.200 19.659 14.872 216 H TYR 28 HN TYR 28 10.771 23.003 12.395 217 HA TYR 28 HA TYR 28 9.356 23.059 10.087 218 1HB TYR 28 HB2 TYR 28 10.209 25.150 11.249 219 2HB TYR 28 HB1 TYR 28 11.646 25.039 10.257 220 HD1 TYR 28 HD1 TYR 28 7.963 25.363 10.150 221 HD2 TYR 28 HD2 TYR 28 11.551 25.641 7.872 222 HE1 TYR 28 HE1 TYR 28 6.724 26.465 8.312 223 HE2 TYR 28 HE2 TYR 28 10.344 26.751 6.078 224 HH TYR 28 HH TYR 28 8.252 27.403 5.329 225 H SER 29 HN SER 29 13.008 23.258 9.645 226 HA SER 29 HA SER 29 12.931 23.020 6.897 227 1HB SER 29 HB2 SER 29 15.431 22.700 7.350 228 2HB SER 29 HB1 SER 29 14.783 24.012 8.296 229 HG SER 29 HG1 SER 29 14.559 22.451 10.059 230 H HIS 30 HN HIS 30 13.786 20.503 9.286 231 HA HIS 30 HA HIS 30 13.917 18.393 7.354 232 1HB HIS 30 HB2 HIS 30 13.707 18.545 10.364 233 2HB HIS 30 HB1 HIS 30 13.647 16.979 9.557 234 HD1 HIS 30 HD1 HIS 30 15.712 16.417 8.112 235 HD2 HIS 30 HD2 HIS 30 16.197 19.805 10.321 236 HE1 HIS 30 HE1 HIS 30 18.144 16.923 8.088 237 H TYR 31 HN TYR 31 11.220 19.576 9.260 238 HA TYR 31 HA TYR 31 9.410 17.418 8.773 239 1HB TYR 31 HB2 TYR 31 8.922 19.177 10.489 240 2HB TYR 31 HB1 TYR 31 8.914 20.419 9.271 241 HD1 TYR 31 HD1 TYR 31 7.091 20.455 7.560 242 HD2 TYR 31 HD2 TYR 31 6.992 17.742 10.852 243 HE1 TYR 31 HE1 TYR 31 4.692 20.041 7.170 244 HE2 TYR 31 HE2 TYR 31 4.621 17.335 10.455 245 HH TYR 31 HH TYR 31 2.881 17.724 8.983 246 H LYS 32 HN LYS 32 10.202 20.450 7.198 247 HA LYS 32 HA LYS 32 8.360 19.935 4.914 248 1HB LYS 32 HB2 LYS 32 10.898 21.649 4.975 249 2HB LYS 32 HB1 LYS 32 9.734 21.553 3.663 250 1HG LYS 32 HG2 LYS 32 9.176 22.661 6.415 251 2HG LYS 32 HG1 LYS 32 9.316 23.536 4.925 252 1HD LYS 32 HD2 LYS 32 7.289 22.162 4.016 253 2HD LYS 32 HD1 LYS 32 7.081 21.579 5.662 254 1HE LYS 32 HE2 LYS 32 7.029 23.933 6.459 255 2HE LYS 32 HE1 LYS 32 7.121 24.445 4.777 256 1HZ LYS 32 HZ1 LYS 32 4.804 23.750 6.237 257 2HZ LYS 32 HZ2 LYS 32 4.975 22.602 5.018 258 3HZ LYS 32 HZ3 LYS 32 4.912 24.246 4.630 259 H GLN 33 HN GLN 33 11.955 19.461 5.077 260 HA GLN 33 HA GLN 33 12.285 17.997 2.688 261 1HB GLN 33 HB2 GLN 33 14.265 18.452 4.077 262 2HB GLN 33 HB1 GLN 33 13.712 17.326 5.305 263 1HG GLN 33 HG2 GLN 33 15.378 16.260 3.742 264 2HG GLN 33 HG1 GLN 33 13.858 15.457 3.455 265 1HE2 GLN 33 HE21 GLN 33 13.599 15.260 1.057 266 2HE2 GLN 33 HE22 GLN 33 14.164 16.515 0.033 267 H ALA 34 HN ALA 34 11.370 16.560 5.696 268 HA ALA 34 HA ALA 34 11.100 13.849 4.837 269 1HB ALA 34 HB1 ALA 34 10.023 13.611 7.099 270 2HB ALA 34 HB2 ALA 34 9.948 15.359 7.216 271 3HB ALA 34 HB3 ALA 34 11.499 14.561 7.179 272 H THR 35 HN THR 35 8.683 16.501 5.138 273 HA THR 35 HA THR 35 6.596 14.611 4.143 274 HB THR 35 HB THR 35 4.981 16.565 4.402 275 HG1 THR 35 HG1 THR 35 7.121 17.847 5.597 276 1HG2 THR 35 HG21 THR 35 5.171 16.854 6.826 277 2HG2 THR 35 HG22 THR 35 6.851 16.340 6.831 278 3HG2 THR 35 HG23 THR 35 5.577 15.189 6.479 279 H VAL 36 HN VAL 36 7.481 17.758 3.250 280 HA VAL 36 HA VAL 36 6.431 17.578 0.495 281 HB VAL 36 HB VAL 36 8.204 19.785 1.649 282 1HG1 VAL 36 HG11 VAL 36 7.998 19.867 -0.862 283 2HG1 VAL 36 HG12 VAL 36 7.183 21.237 -0.140 284 3HG1 VAL 36 HG13 VAL 36 6.249 19.867 -0.711 285 1HG2 VAL 36 HG21 VAL 36 6.141 21.097 2.108 286 2HG2 VAL 36 HG22 VAL 36 6.222 19.633 3.073 287 3HG2 VAL 36 HG23 VAL 36 5.160 19.708 1.671 288 H GLY 37 HN GLY 37 9.634 17.824 1.864 289 1HA GLY 37 HA2 GLY 37 11.476 16.475 0.747 290 2HA GLY 37 HA1 GLY 37 10.801 16.999 -0.791 291 H ASP 38 HN ASP 38 12.807 17.917 -1.372 292 HA ASP 38 HA ASP 38 14.310 19.713 0.037 293 1HB ASP 38 HB2 ASP 38 13.726 19.855 -2.944 294 2HB ASP 38 HB1 ASP 38 15.181 20.284 -2.070 295 H ILE 39 HN ILE 39 14.621 22.103 -1.033 296 HA ILE 39 HA ILE 39 12.044 23.462 -0.338 297 HB ILE 39 HB ILE 39 14.433 23.966 0.580 298 1HG1 ILE 39 HG12 ILE 39 12.651 26.221 -0.465 299 2HG1 ILE 39 HG11 ILE 39 12.170 25.167 0.805 300 1HG2 ILE 39 HG21 ILE 39 15.569 24.207 -1.670 301 2HG2 ILE 39 HG22 ILE 39 15.658 25.722 -0.795 302 3HG2 ILE 39 HG23 ILE 39 14.503 25.543 -2.073 303 1HD1 ILE 39 HD1 ILE 39 13.208 27.101 1.861 304 2HD1 ILE 39 HD2 ILE 39 14.683 26.888 0.929 305 3HD1 ILE 39 HD3 ILE 39 14.196 25.694 2.102 306 H ASN 40 HN ASN 40 10.739 24.017 -1.780 307 HA ASN 40 HA ASN 40 11.551 24.626 -4.554 308 1HB ASN 40 HB2 ASN 40 9.067 23.270 -4.710 309 2HB ASN 40 HB1 ASN 40 10.625 22.561 -5.127 310 1HD2 ASN 40 HD21 ASN 40 10.885 20.596 -4.015 311 2HD2 ASN 40 HD22 ASN 40 10.306 20.354 -2.427 312 H THR 41 HN THR 41 10.344 25.925 -1.880 313 HA THR 41 HA THR 41 8.250 27.471 -3.384 314 HB THR 41 HB THR 41 7.094 27.949 -1.304 315 HG1 THR 41 HG1 THR 41 8.778 26.566 0.340 316 1HG2 THR 41 HG21 THR 41 6.872 25.523 -2.018 317 2HG2 THR 41 HG22 THR 41 6.731 25.732 -0.280 318 3HG2 THR 41 HG23 THR 41 8.219 25.103 -0.983 319 H GLU 42 HN GLU 42 7.992 29.457 -2.600 320 HA GLU 42 HA GLU 42 9.951 31.215 -3.333 321 1HB GLU 42 HB2 GLU 42 7.591 31.747 -1.623 322 2HB GLU 42 HB1 GLU 42 8.606 32.885 -2.501 323 1HG GLU 42 HG2 GLU 42 6.481 32.279 -3.873 324 2HG GLU 42 HG1 GLU 42 7.966 31.936 -4.713 325 H ARG 43 HN ARG 43 11.870 31.220 -2.379 326 HA ARG 43 HA ARG 43 12.625 31.442 0.253 327 1HB ARG 43 HB2 ARG 43 14.177 31.306 -1.596 328 2HB ARG 43 HB1 ARG 43 13.687 32.880 -2.209 329 1HG ARG 43 HG2 ARG 43 14.478 33.766 0.126 330 2HG ARG 43 HG1 ARG 43 15.130 32.154 0.356 331 1HD ARG 43 HD2 ARG 43 16.561 32.405 -1.603 332 2HD ARG 43 HD1 ARG 43 15.828 33.976 -1.972 333 HE ARG 43 HE ARG 43 16.729 34.747 0.311 334 1HH1 ARG 43 HH21 ARG 43 18.955 34.507 -1.510 335 2HH1 ARG 43 HH22 ARG 43 20.061 33.550 -0.568 336 1HH2 ARG 43 HH11 ARG 43 17.544 32.462 1.496 337 2HH2 ARG 43 HH12 ARG 43 19.211 32.315 1.289 338 HA PRO 44 HA PRO 44 10.307 34.781 1.988 339 1HB PRO 44 HB2 PRO 44 12.768 36.185 2.752 340 2HB PRO 44 HB1 PRO 44 11.501 35.455 3.743 341 1HG PRO 44 HG2 PRO 44 14.023 34.218 2.870 342 2HG PRO 44 HG1 PRO 44 12.864 33.709 4.135 343 1HD PRO 44 HD2 PRO 44 13.231 32.327 1.868 344 2HD PRO 44 HD1 PRO 44 11.647 32.366 2.641 345 H GLY 45 HN GLY 45 12.773 35.983 -0.079 346 1HA GLY 45 HA2 GLY 45 12.355 37.659 -1.857 347 2HA GLY 45 HA1 GLY 45 10.754 37.916 -1.170 348 H MET 46 HN MET 46 11.045 38.587 1.253 349 HA MET 46 HA MET 46 12.435 41.212 1.183 350 1HB MET 46 HB2 MET 46 10.683 39.941 3.345 351 2HB MET 46 HB1 MET 46 11.178 41.615 3.304 352 1HG MET 46 HG2 MET 46 9.877 42.031 1.281 353 2HG MET 46 HG1 MET 46 9.562 40.332 1.062 354 1HE MET 46 HE1 MET 46 8.621 43.613 2.516 355 2HE MET 46 HE2 MET 46 9.076 42.949 4.105 356 3HE MET 46 HE3 MET 46 7.394 43.289 3.721 357 H LEU 47 HN LEU 47 13.768 38.863 1.311 358 HA LEU 47 HA LEU 47 15.233 37.601 3.121 359 1HB LEU 47 HB2 LEU 47 16.732 39.476 1.289 360 2HB LEU 47 HB1 LEU 47 17.363 37.990 1.955 361 HG LEU 47 HG LEU 47 15.250 38.394 -0.166 362 1HD1 LEU 47 HD11 LEU 47 16.625 36.684 -1.343 363 2HD1 LEU 47 HD12 LEU 47 17.727 36.656 0.033 364 3HD1 LEU 47 HD13 LEU 47 17.526 38.123 -0.902 365 1HD2 LEU 47 HD21 LEU 47 14.663 35.970 -0.062 366 2HD2 LEU 47 HD22 LEU 47 14.114 36.840 1.361 367 3HD2 LEU 47 HD23 LEU 47 15.532 35.820 1.461 368 H ASP 48 HN ASP 48 14.798 38.326 5.051 369 HA ASP 48 HA ASP 48 16.872 39.729 6.563 370 1HB ASP 48 HB2 ASP 48 15.148 41.436 5.739 371 2HB ASP 48 HB1 ASP 48 13.963 40.375 6.532 372 H PHE 49 HN PHE 49 14.082 39.670 8.077 373 HA PHE 49 HA PHE 49 13.897 38.501 10.254 374 1HB PHE 49 HB2 PHE 49 11.429 37.873 9.648 375 2HB PHE 49 HB1 PHE 49 11.992 39.481 9.232 376 HD1 PHE 49 HD1 PHE 49 9.920 39.284 7.594 377 HD2 PHE 49 HD2 PHE 49 13.472 37.008 7.062 378 HE1 PHE 49 HE1 PHE 49 9.372 38.913 5.228 379 HE2 PHE 49 HE2 PHE 49 12.960 36.663 4.764 380 HZ PHE 49 HZ PHE 49 10.905 37.598 3.780 381 H LYS 50 HN LYS 50 12.804 36.542 11.312 382 HA LYS 50 HA LYS 50 14.430 34.262 10.861 383 1HB LYS 50 HB2 LYS 50 12.722 33.092 12.329 384 2HB LYS 50 HB1 LYS 50 13.464 34.523 12.982 385 1HG LYS 50 HG2 LYS 50 11.406 35.851 12.410 386 2HG LYS 50 HG1 LYS 50 10.651 34.374 11.824 387 1HD LYS 50 HD2 LYS 50 11.019 33.288 14.059 388 2HD LYS 50 HD1 LYS 50 11.943 34.656 14.608 389 1HE LYS 50 HE2 LYS 50 9.804 34.806 15.665 390 2HE LYS 50 HE1 LYS 50 9.901 36.083 14.452 391 1HZ LYS 50 HZ1 LYS 50 8.098 33.886 14.579 392 2HZ LYS 50 HZ2 LYS 50 8.960 33.847 13.121 393 3HZ LYS 50 HZ3 LYS 50 8.043 35.222 13.533 394 H GLY 51 HN GLY 51 12.178 35.289 8.754 395 1HA GLY 51 HA2 GLY 51 10.982 32.771 7.808 396 2HA GLY 51 HA1 GLY 51 10.944 34.355 6.960 397 H LYS 52 HN LYS 52 13.368 35.165 6.615 398 HA LYS 52 HA LYS 52 14.705 33.572 4.635 399 1HB LYS 52 HB2 LYS 52 15.250 35.985 5.401 400 2HB LYS 52 HB1 LYS 52 16.149 35.245 6.695 401 1HG LYS 52 HG2 LYS 52 17.574 34.017 5.012 402 2HG LYS 52 HG1 LYS 52 16.645 34.702 3.713 403 1HD LYS 52 HD2 LYS 52 18.711 36.073 3.952 404 2HD LYS 52 HD1 LYS 52 17.309 37.025 4.376 405 1HE LYS 52 HE2 LYS 52 19.110 37.424 5.980 406 2HE LYS 52 HE1 LYS 52 17.778 36.654 6.801 407 1HZ LYS 52 HZ1 LYS 52 20.367 35.682 6.655 408 2HZ LYS 52 HZ2 LYS 52 19.431 34.687 5.644 409 3HZ LYS 52 HZ3 LYS 52 18.982 34.891 7.262 410 H ALA 53 HN ALA 53 15.132 33.455 8.094 411 HA ALA 53 HA ALA 53 17.204 31.423 8.103 412 1HB ALA 53 HB1 ALA 53 16.570 32.819 10.106 413 2HB ALA 53 HB2 ALA 53 16.521 31.113 10.503 414 3HB ALA 53 HB3 ALA 53 15.034 31.983 10.213 415 H LYS 54 HN LYS 54 13.697 30.968 8.839 416 HA LYS 54 HA LYS 54 13.530 28.208 8.661 417 1HB LYS 54 HB2 LYS 54 11.694 30.193 7.438 418 2HB LYS 54 HB1 LYS 54 11.314 28.490 7.619 419 1HG LYS 54 HG2 LYS 54 12.051 29.088 10.209 420 2HG LYS 54 HG1 LYS 54 11.462 30.649 9.696 421 1HD LYS 54 HD2 LYS 54 10.058 28.056 9.274 422 2HD LYS 54 HD1 LYS 54 9.668 29.119 10.608 423 1HE LYS 54 HE2 LYS 54 8.851 30.855 9.111 424 2HE LYS 54 HE1 LYS 54 9.515 30.084 7.685 425 1HZ LYS 54 HZ1 LYS 54 7.951 28.231 9.099 426 2HZ LYS 54 HZ2 LYS 54 7.710 28.726 7.533 427 3HZ LYS 54 HZ3 LYS 54 6.990 29.621 8.812 428 H TRP 55 HN TRP 55 13.343 30.300 5.782 429 HA TRP 55 HA TRP 55 13.020 28.158 4.046 430 1HB TRP 55 HB2 TRP 55 12.567 30.680 3.751 431 2HB TRP 55 HB1 TRP 55 14.256 30.835 3.338 432 HD1 TRP 55 HD1 TRP 55 10.947 29.302 1.825 433 HE1 TRP 55 HE1 TRP 55 11.670 28.588 -0.538 434 HE3 TRP 55 HE3 TRP 55 15.932 30.034 1.994 435 HZ2 TRP 55 HZ2 TRP 55 13.818 28.414 -2.146 436 HZ3 TRP 55 HZ3 TRP 55 17.352 29.547 0.058 437 HH2 TRP 55 HH2 TRP 55 16.321 28.743 -2.028 438 H ASP 56 HN ASP 56 15.782 30.149 4.574 439 HA ASP 56 HA ASP 56 17.559 28.665 2.941 440 1HB ASP 56 HB2 ASP 56 17.876 30.386 5.407 441 2HB ASP 56 HB1 ASP 56 19.280 29.662 4.672 442 H ALA 57 HN ALA 57 16.727 28.231 6.372 443 HA ALA 57 HA ALA 57 18.378 26.113 7.063 444 1HB ALA 57 HB1 ALA 57 15.535 26.688 8.003 445 2HB ALA 57 HB2 ALA 57 16.980 27.417 8.683 446 3HB ALA 57 HB3 ALA 57 16.683 25.691 8.868 447 H TRP 58 HN TRP 58 15.312 26.119 5.360 448 HA TRP 58 HA TRP 58 15.142 23.139 5.355 449 1HB TRP 58 HB2 TRP 58 13.121 24.473 5.359 450 2HB TRP 58 HB1 TRP 58 13.594 25.315 3.920 451 HD1 TRP 58 HD1 TRP 58 14.376 21.498 3.628 452 HE1 TRP 58 HE1 TRP 58 12.500 20.627 2.098 453 HE3 TRP 58 HE3 TRP 58 11.319 25.458 3.534 454 HZ2 TRP 58 HZ2 TRP 58 10.053 21.450 0.917 455 HZ3 TRP 58 HZ3 TRP 58 9.202 25.451 2.230 456 HH2 TRP 58 HH2 TRP 58 8.598 23.467 0.903 457 H ASN 59 HN ASN 59 15.971 25.754 3.095 458 HA ASN 59 HA ASN 59 16.581 24.264 0.774 459 1HB ASN 59 HB2 ASN 59 16.662 26.740 0.674 460 2HB ASN 59 HB1 ASN 59 17.720 26.777 2.057 461 1HD2 ASN 59 HD21 ASN 59 19.555 27.579 1.472 462 2HD2 ASN 59 HD22 ASN 59 20.444 27.053 0.094 463 H GLU 60 HN GLU 60 18.483 24.983 3.543 464 HA GLU 60 HA GLU 60 20.970 23.873 3.170 465 1HB GLU 60 HB2 GLU 60 19.999 25.182 5.163 466 2HB GLU 60 HB1 GLU 60 19.361 23.659 5.736 467 1HG GLU 60 HG2 GLU 60 21.477 23.951 6.856 468 2HG GLU 60 HG1 GLU 60 21.793 22.748 5.614 469 H LEU 61 HN LEU 61 18.019 22.329 3.549 470 HA LEU 61 HA LEU 61 19.075 19.568 3.862 471 1HB LEU 61 HB2 LEU 61 16.171 20.396 3.977 472 2HB LEU 61 HB1 LEU 61 16.886 18.891 4.495 473 HG LEU 61 HG LEU 61 17.461 21.592 5.817 474 1HD1 LEU 61 HD11 LEU 61 16.146 20.581 7.658 475 2HD1 LEU 61 HD12 LEU 61 15.860 19.144 6.683 476 3HD1 LEU 61 HD13 LEU 61 15.192 20.690 6.181 477 1HD2 LEU 61 HD21 LEU 61 19.370 19.978 5.964 478 2HD2 LEU 61 HD22 LEU 61 18.276 18.759 6.610 479 3HD2 LEU 61 HD23 LEU 61 18.601 20.244 7.506 480 H LYS 62 HN LYS 62 17.644 21.586 1.336 481 HA LYS 62 HA LYS 62 16.294 19.785 -0.230 482 1HB LYS 62 HB2 LYS 62 16.547 22.176 -0.913 483 2HB LYS 62 HB1 LYS 62 18.284 22.046 -0.847 484 1HG LYS 62 HG2 LYS 62 18.545 21.063 -2.816 485 2HG LYS 62 HG1 LYS 62 17.118 20.085 -2.734 486 1HD LYS 62 HD2 LYS 62 15.786 22.291 -3.250 487 2HD LYS 62 HD1 LYS 62 17.351 23.012 -3.557 488 1HE LYS 62 HE2 LYS 62 16.445 22.141 -5.673 489 2HE LYS 62 HE1 LYS 62 17.833 21.154 -5.223 490 1HZ LYS 62 HZ1 LYS 62 15.511 20.160 -3.908 491 2HZ LYS 62 HZ2 LYS 62 16.437 19.310 -4.883 492 3HZ LYS 62 HZ3 LYS 62 15.179 20.238 -5.575 493 H GLY 63 HN GLY 63 16.867 17.977 -1.411 494 1HA GLY 63 HA2 GLY 63 18.555 16.603 -2.603 495 2HA GLY 63 HA1 GLY 63 19.814 17.302 -1.569 496 H THR 64 HN THR 64 18.254 17.072 0.831 497 HA THR 64 HA THR 64 19.023 14.384 1.504 498 HB THR 64 HB THR 64 17.357 16.488 2.993 499 HG1 THR 64 HG1 THR 64 19.461 15.181 4.184 500 1HG2 THR 64 HG21 THR 64 17.340 14.998 4.973 501 2HG2 THR 64 HG22 THR 64 18.125 13.693 4.095 502 3HG2 THR 64 HG23 THR 64 16.476 14.165 3.707 503 H SER 65 HN SER 65 17.629 12.593 2.062 504 HA SER 65 HA SER 65 15.247 12.509 0.293 505 1HB SER 65 HB2 SER 65 17.037 10.782 0.019 506 2HB SER 65 HB1 SER 65 16.660 10.175 1.649 507 HG SER 65 HG1 SER 65 15.053 9.228 0.579 508 H LYS 66 HN LYS 66 13.311 11.826 0.994 509 HA LYS 66 HA LYS 66 12.079 12.778 3.147 510 1HB LYS 66 HB2 LYS 66 11.113 11.758 1.204 511 2HB LYS 66 HB1 LYS 66 11.602 10.158 1.700 512 1HG LYS 66 HG2 LYS 66 10.055 10.003 3.434 513 2HG LYS 66 HG1 LYS 66 9.798 11.718 3.585 514 1HD LYS 66 HD2 LYS 66 8.890 9.783 1.385 515 2HD LYS 66 HD1 LYS 66 7.832 10.647 2.462 516 1HE LYS 66 HE2 LYS 66 9.415 11.779 0.100 517 2HE LYS 66 HE1 LYS 66 7.677 11.695 0.281 518 1HZ LYS 66 HZ1 LYS 66 9.419 13.787 1.218 519 2HZ LYS 66 HZ2 LYS 66 8.693 13.012 2.517 520 3HZ LYS 66 HZ3 LYS 66 7.735 13.769 1.357 521 H GLU 67 HN GLU 67 13.176 9.474 3.112 522 HA GLU 67 HA GLU 67 12.478 8.726 5.694 523 1HB GLU 67 HB2 GLU 67 14.624 7.822 3.721 524 2HB GLU 67 HB1 GLU 67 14.116 6.885 5.107 525 1HG GLU 67 HG2 GLU 67 12.109 7.757 2.974 526 2HG GLU 67 HG1 GLU 67 12.906 6.198 2.962 527 H ASP 68 HN ASP 68 15.836 9.972 4.731 528 HA ASP 68 HA ASP 68 16.748 9.722 7.360 529 1HB ASP 68 HB2 ASP 68 17.437 11.373 4.910 530 2HB ASP 68 HB1 ASP 68 18.440 11.409 6.339 531 H ALA 69 HN ALA 69 15.292 12.320 5.719 532 HA ALA 69 HA ALA 69 15.353 14.239 7.858 533 1HB ALA 69 HB1 ALA 69 14.686 14.698 5.503 534 2HB ALA 69 HB2 ALA 69 13.465 15.337 6.602 535 3HB ALA 69 HB3 ALA 69 13.197 13.821 5.729 536 H MET 70 HN MET 70 12.837 11.754 7.040 537 HA MET 70 HA MET 70 11.150 12.172 9.211 538 1HB MET 70 HB2 MET 70 11.945 9.927 7.373 539 2HB MET 70 HB1 MET 70 10.948 9.493 8.685 540 1HG MET 70 HG2 MET 70 9.551 11.576 7.797 541 2HG MET 70 HG1 MET 70 10.570 11.510 6.411 542 1HE MET 70 HE1 MET 70 6.583 10.050 6.375 543 2HE MET 70 HE2 MET 70 7.375 11.583 6.740 544 3HE MET 70 HE3 MET 70 7.300 10.287 7.960 545 H LYS 71 HN LYS 71 13.707 9.838 8.984 546 HA LYS 71 HA LYS 71 13.784 8.733 11.538 547 1HB LYS 71 HB2 LYS 71 16.266 9.489 9.914 548 2HB LYS 71 HB1 LYS 71 16.254 8.303 11.192 549 1HG LYS 71 HG2 LYS 71 15.048 6.725 9.873 550 2HG LYS 71 HG1 LYS 71 14.555 7.908 8.705 551 1HD LYS 71 HD2 LYS 71 17.314 8.242 8.529 552 2HD LYS 71 HD1 LYS 71 17.278 6.623 9.160 553 1HE LYS 71 HE2 LYS 71 16.207 5.727 7.275 554 2HE LYS 71 HE1 LYS 71 15.590 7.293 6.771 555 1HZ LYS 71 HZ1 LYS 71 18.442 7.518 6.817 556 2HZ LYS 71 HZ2 LYS 71 17.409 7.591 5.526 557 3HZ LYS 71 HZ3 LYS 71 18.042 6.104 5.988 558 H ALA 72 HN ALA 72 15.828 11.453 10.403 559 HA ALA 72 HA ALA 72 16.941 12.258 12.756 560 1HB ALA 72 HB1 ALA 72 17.355 14.336 11.364 561 2HB ALA 72 HB2 ALA 72 16.137 13.772 10.229 562 3HB ALA 72 HB3 ALA 72 17.612 12.857 10.463 563 H TYR 73 HN TYR 73 13.969 13.389 11.245 564 HA TYR 73 HA TYR 73 13.318 15.394 13.166 565 1HB TYR 73 HB2 TYR 73 12.376 15.052 10.848 566 2HB TYR 73 HB1 TYR 73 11.472 13.670 11.429 567 HD1 TYR 73 HD1 TYR 73 9.634 14.020 13.151 568 HD2 TYR 73 HD2 TYR 73 11.729 17.268 11.338 569 HE1 TYR 73 HE1 TYR 73 7.896 15.587 13.897 570 HE2 TYR 73 HE2 TYR 73 10.016 18.795 12.060 571 HH TYR 73 HH TYR 73 8.272 18.658 14.211 572 H ILE 74 HN ILE 74 12.237 12.070 12.851 573 HA ILE 74 HA ILE 74 10.634 11.747 15.155 574 HB ILE 74 HB ILE 74 12.692 9.679 14.125 575 1HG1 ILE 74 HG12 ILE 74 9.711 9.839 13.578 576 2HG1 ILE 74 HG11 ILE 74 10.869 10.419 12.450 577 1HG2 ILE 74 HG21 ILE 74 11.861 9.285 16.490 578 2HG2 ILE 74 HG22 ILE 74 11.236 8.074 15.407 579 3HG2 ILE 74 HG23 ILE 74 10.209 9.412 15.911 580 1HD1 ILE 74 HD1 ILE 74 10.750 7.531 13.459 581 2HD1 ILE 74 HD2 ILE 74 11.970 8.140 12.378 582 3HD1 ILE 74 HD3 ILE 74 10.289 8.089 11.868 583 H ASP 75 HN ASP 75 14.198 11.164 14.893 584 HA ASP 75 HA ASP 75 14.655 10.853 17.645 585 1HB ASP 75 HB2 ASP 75 16.235 11.621 15.177 586 2HB ASP 75 HB1 ASP 75 17.009 11.723 16.737 587 H LYS 76 HN LYS 76 15.001 13.711 15.733 588 HA LYS 76 HA LYS 76 15.762 15.559 17.697 589 1HB LYS 76 HB2 LYS 76 14.712 15.675 15.061 590 2HB LYS 76 HB1 LYS 76 13.657 16.718 15.957 591 1HG LYS 76 HG2 LYS 76 15.497 18.046 15.178 592 2HG LYS 76 HG1 LYS 76 15.714 17.849 16.891 593 1HD LYS 76 HD2 LYS 76 17.397 15.982 16.488 594 2HD LYS 76 HD1 LYS 76 17.005 15.975 14.791 595 1HE LYS 76 HE2 LYS 76 19.097 17.212 15.200 596 2HE LYS 76 HE1 LYS 76 17.852 18.288 14.576 597 1HZ LYS 76 HZ1 LYS 76 17.599 18.114 17.358 598 2HZ LYS 76 HZ2 LYS 76 17.896 19.489 16.424 599 3HZ LYS 76 HZ3 LYS 76 19.180 18.562 17.039 600 H VAL 77 HN VAL 77 12.507 14.562 16.889 601 HA VAL 77 HA VAL 77 11.252 16.095 18.961 602 HB VAL 77 HB VAL 77 10.326 13.644 17.363 603 1HG1 VAL 77 HG11 VAL 77 9.086 13.986 19.581 604 2HG1 VAL 77 HG12 VAL 77 8.041 14.342 18.234 605 3HG1 VAL 77 HG13 VAL 77 8.786 15.646 19.103 606 1HG2 VAL 77 HG21 VAL 77 10.803 15.739 16.035 607 2HG2 VAL 77 HG22 VAL 77 9.733 16.657 17.084 608 3HG2 VAL 77 HG23 VAL 77 9.085 15.430 16.025 609 H GLU 78 HN GLU 78 12.188 12.615 18.742 610 HA GLU 78 HA GLU 78 11.313 11.880 21.298 611 1HB GLU 78 HB2 GLU 78 12.445 10.347 19.605 612 2HB GLU 78 HB1 GLU 78 13.994 11.045 20.039 613 1HG GLU 78 HG2 GLU 78 13.646 8.975 21.399 614 2HG GLU 78 HG1 GLU 78 13.574 10.371 22.457 615 H GLU 79 HN GLU 79 14.303 13.625 20.362 616 HA GLU 79 HA GLU 79 15.290 13.855 23.023 617 1HB GLU 79 HB2 GLU 79 15.693 15.500 20.429 618 2HB GLU 79 HB1 GLU 79 16.587 15.853 21.899 619 1HG GLU 79 HG2 GLU 79 16.548 13.035 20.687 620 2HG GLU 79 HG1 GLU 79 17.784 14.219 20.282 621 H LEU 80 HN LEU 80 13.687 16.372 21.053 622 HA LEU 80 HA LEU 80 13.172 18.186 23.103 623 1HB LEU 80 HB2 LEU 80 11.290 17.418 20.839 624 2HB LEU 80 HB1 LEU 80 11.100 18.844 21.845 625 HG LEU 80 HG LEU 80 13.346 18.265 19.910 626 1HD1 LEU 80 HD11 LEU 80 11.250 20.470 20.129 627 2HD1 LEU 80 HD12 LEU 80 11.167 19.113 19.003 628 3HD1 LEU 80 HD13 LEU 80 12.437 20.313 18.850 629 1HD2 LEU 80 HD21 LEU 80 14.197 20.497 20.608 630 2HD2 LEU 80 HD22 LEU 80 14.266 19.389 21.945 631 3HD2 LEU 80 HD23 LEU 80 12.985 20.606 21.851 632 H LYS 81 HN LYS 81 11.660 15.232 22.635 633 HA LYS 81 HA LYS 81 9.349 15.717 24.336 634 1HB LYS 81 HB2 LYS 81 9.272 14.175 22.548 635 2HB LYS 81 HB1 LYS 81 10.708 13.329 23.029 636 1HG LYS 81 HG2 LYS 81 9.397 12.560 25.121 637 2HG LYS 81 HG1 LYS 81 7.965 13.200 24.320 638 1HD LYS 81 HD2 LYS 81 8.812 11.889 22.194 639 2HD LYS 81 HD1 LYS 81 9.932 11.104 23.291 640 1HE LYS 81 HE2 LYS 81 7.986 10.204 24.569 641 2HE LYS 81 HE1 LYS 81 6.896 10.958 23.403 642 1HZ LYS 81 HZ1 LYS 81 8.950 9.624 22.001 643 2HZ LYS 81 HZ2 LYS 81 7.306 9.241 21.955 644 3HZ LYS 81 HZ3 LYS 81 8.359 8.527 23.100 645 H LYS 82 HN LYS 82 12.355 13.873 24.569 646 HA LYS 82 HA LYS 82 12.214 13.147 27.331 647 1HB LYS 82 HB2 LYS 82 14.703 13.858 25.682 648 2HB LYS 82 HB1 LYS 82 14.770 13.093 27.247 649 1HG LYS 82 HG2 LYS 82 13.565 11.877 24.745 650 2HG LYS 82 HG1 LYS 82 15.171 11.559 25.328 651 1HD LYS 82 HD2 LYS 82 13.913 10.821 27.566 652 2HD LYS 82 HD1 LYS 82 12.502 10.702 26.536 653 1HE LYS 82 HE2 LYS 82 15.139 9.223 26.178 654 2HE LYS 82 HE1 LYS 82 13.610 8.502 26.664 655 1HZ LYS 82 HZ1 LYS 82 14.517 8.966 23.981 656 2HZ LYS 82 HZ2 LYS 82 13.162 9.917 24.272 657 3HZ LYS 82 HZ3 LYS 82 13.033 8.298 24.448 658 H LYS 83 HN LYS 83 13.590 15.841 25.770 659 HA LYS 83 HA LYS 83 14.595 17.445 27.865 660 1HB LYS 83 HB2 LYS 83 15.088 17.360 25.365 661 2HB LYS 83 HB1 LYS 83 13.712 18.352 25.145 662 1HG LYS 83 HG2 LYS 83 14.660 20.208 26.481 663 2HG LYS 83 HG1 LYS 83 16.103 19.247 26.783 664 1HD LYS 83 HD2 LYS 83 16.585 19.092 24.358 665 2HD LYS 83 HD1 LYS 83 15.096 19.910 23.960 666 1HE LYS 83 HE2 LYS 83 15.964 22.007 25.010 667 2HE LYS 83 HE1 LYS 83 17.420 21.160 25.490 668 1HZ LYS 83 HZ1 LYS 83 16.838 22.372 22.979 669 2HZ LYS 83 HZ2 LYS 83 17.028 20.765 22.671 670 3HZ LYS 83 HZ3 LYS 83 18.281 21.616 23.452 671 H TYR 84 HN TYR 84 11.799 18.023 26.044 672 HA TYR 84 HA TYR 84 10.875 20.141 27.951 673 1HB TYR 84 HB2 TYR 84 10.235 19.674 25.011 674 2HB TYR 84 HB1 TYR 84 9.428 20.884 25.976 675 HD1 TYR 84 HD1 TYR 84 11.103 22.445 27.375 676 HD2 TYR 84 HD2 TYR 84 12.130 20.348 23.823 677 HE1 TYR 84 HE1 TYR 84 12.939 24.020 26.974 678 HE2 TYR 84 HE2 TYR 84 13.986 21.947 23.428 679 HH TYR 84 HH TYR 84 14.174 24.827 25.003 680 H GLY 85 HN GLY 85 9.794 17.150 26.583 681 1HA GLY 85 HA2 GLY 85 7.924 15.845 26.905 682 2HA GLY 85 HA1 GLY 85 7.928 16.507 28.524 683 H ILE 86 HN ILE 86 5.820 16.034 28.396 684 HA ILE 86 HA ILE 86 3.992 17.851 26.891 685 HB ILE 86 HB ILE 86 3.825 15.288 26.800 686 1HG1 ILE 86 HG12 ILE 86 1.897 16.398 26.046 687 2HG1 ILE 86 HG11 ILE 86 1.346 15.100 27.073 688 1HG2 ILE 86 HG21 ILE 86 2.748 14.054 28.659 689 2HG2 ILE 86 HG22 ILE 86 2.856 15.496 29.660 690 3HG2 ILE 86 HG23 ILE 86 4.316 14.697 29.122 691 1HD1 ILE 86 HD1 ILE 86 1.063 16.793 28.954 692 2HD1 ILE 86 HD2 ILE 86 0.042 17.123 27.564 693 3HD1 ILE 86 HD3 ILE 86 1.499 18.054 27.816 Start of MODEL 4 1 1H SER 1 HT1 SER 1 8.163 2.659 10.464 2 2H SER 1 HT2 SER 1 7.003 3.574 11.317 3 3H SER 1 HT3 SER 1 8.556 3.426 11.916 4 HA SER 1 HA SER 1 9.068 5.342 10.948 5 1HB SER 1 HB2 SER 1 9.945 3.687 9.144 6 2HB SER 1 HB1 SER 1 8.478 4.048 8.218 7 HG SER 1 HG1 SER 1 10.646 5.667 8.690 8 H GLN 2 HN GLN 2 8.108 6.425 8.509 9 HA GLN 2 HA GLN 2 6.684 8.269 8.053 10 1HB GLN 2 HB2 GLN 2 6.113 6.374 6.585 11 2HB GLN 2 HB1 GLN 2 5.022 5.716 7.772 12 1HG GLN 2 HG2 GLN 2 3.809 6.944 5.940 13 2HG GLN 2 HG1 GLN 2 3.474 7.682 7.483 14 1HE2 GLN 2 HE21 GLN 2 3.665 9.922 7.489 15 2HE2 GLN 2 HE22 GLN 2 4.592 10.766 6.352 16 H ALA 3 HN ALA 3 4.105 6.332 9.492 17 HA ALA 3 HA ALA 3 2.706 8.477 10.629 18 1HB ALA 3 HB1 ALA 3 1.861 6.124 10.587 19 2HB ALA 3 HB2 ALA 3 1.736 6.772 12.206 20 3HB ALA 3 HB3 ALA 3 3.034 5.651 11.808 21 H GLU 4 HN GLU 4 5.405 6.687 11.978 22 HA GLU 4 HA GLU 4 5.550 7.876 14.556 23 1HB GLU 4 HB2 GLU 4 7.921 7.222 12.878 24 2HB GLU 4 HB1 GLU 4 7.891 7.210 14.613 25 1HG GLU 4 HG2 GLU 4 6.497 5.278 14.849 26 2HG GLU 4 HG1 GLU 4 6.023 5.267 13.174 27 H PHE 5 HN PHE 5 6.509 9.119 11.566 28 HA PHE 5 HA PHE 5 8.013 11.423 12.671 29 1HB PHE 5 HB2 PHE 5 8.708 10.716 10.447 30 2HB PHE 5 HB1 PHE 5 7.020 10.696 9.940 31 HD1 PHE 5 HD1 PHE 5 9.656 13.049 11.173 32 HD2 PHE 5 HD2 PHE 5 6.039 12.595 8.980 33 HE1 PHE 5 HE1 PHE 5 9.796 15.391 10.450 34 HE2 PHE 5 HE2 PHE 5 6.154 14.900 8.295 35 HZ PHE 5 HZ PHE 5 8.008 16.321 8.994 36 H ASP 6 HN ASP 6 4.886 11.061 10.886 37 HA ASP 6 HA ASP 6 4.007 13.689 11.160 38 1HB ASP 6 HB2 ASP 6 2.436 11.059 11.434 39 2HB ASP 6 HB1 ASP 6 1.836 12.623 10.913 40 H LYS 7 HN LYS 7 3.683 10.948 13.219 41 HA LYS 7 HA LYS 7 2.531 12.053 15.526 42 1HB LYS 7 HB2 LYS 7 2.887 9.647 15.137 43 2HB LYS 7 HB1 LYS 7 4.620 9.844 15.164 44 1HG LYS 7 HG2 LYS 7 4.503 10.583 17.589 45 2HG LYS 7 HG1 LYS 7 2.773 10.318 17.570 46 1HD LYS 7 HD2 LYS 7 4.792 8.135 16.831 47 2HD LYS 7 HD1 LYS 7 4.285 8.404 18.492 48 1HE LYS 7 HE2 LYS 7 1.983 7.844 17.974 49 2HE LYS 7 HE1 LYS 7 2.320 7.805 16.243 50 1HZ LYS 7 HZ1 LYS 7 4.196 6.151 17.523 51 2HZ LYS 7 HZ2 LYS 7 2.997 5.665 16.457 52 3HZ LYS 7 HZ3 LYS 7 2.677 5.688 18.126 53 H ALA 8 HN ALA 8 6.203 11.674 14.855 54 HA ALA 8 HA ALA 8 6.943 13.177 17.106 55 1HB ALA 8 HB1 ALA 8 8.987 13.743 15.771 56 2HB ALA 8 HB2 ALA 8 8.167 13.225 14.302 57 3HB ALA 8 HB3 ALA 8 8.506 12.065 15.576 58 H ALA 9 HN ALA 9 5.972 14.303 14.114 59 HA ALA 9 HA ALA 9 6.341 17.159 14.579 60 1HB ALA 9 HB1 ALA 9 5.103 17.449 12.414 61 2HB ALA 9 HB2 ALA 9 4.570 15.768 12.508 62 3HB ALA 9 HB3 ALA 9 6.269 16.150 12.321 63 H GLU 10 HN GLU 10 3.386 15.127 14.998 64 HA GLU 10 HA GLU 10 1.684 17.358 15.600 65 1HB GLU 10 HB2 GLU 10 1.560 14.432 16.481 66 2HB GLU 10 HB1 GLU 10 0.251 15.570 16.644 67 1HG GLU 10 HG2 GLU 10 0.082 15.750 14.160 68 2HG GLU 10 HG1 GLU 10 1.434 14.646 13.991 69 H GLU 11 HN GLU 11 3.781 15.075 17.373 70 HA GLU 11 HA GLU 11 3.129 16.033 19.940 71 1HB GLU 11 HB2 GLU 11 5.481 14.570 18.640 72 2HB GLU 11 HB1 GLU 11 5.422 14.917 20.341 73 1HG GLU 11 HG2 GLU 11 3.090 13.475 18.985 74 2HG GLU 11 HG1 GLU 11 4.440 12.604 19.684 75 H VAL 12 HN VAL 12 5.918 17.030 17.820 76 HA VAL 12 HA VAL 12 6.774 19.036 19.696 77 HB VAL 12 HB VAL 12 7.478 18.238 17.134 78 1HG1 VAL 12 HG11 VAL 12 5.970 19.838 15.983 79 2HG1 VAL 12 HG12 VAL 12 7.635 20.318 15.715 80 3HG1 VAL 12 HG13 VAL 12 6.674 21.177 16.885 81 1HG2 VAL 12 HG21 VAL 12 9.378 19.936 17.370 82 2HG2 VAL 12 HG22 VAL 12 9.073 19.030 18.837 83 3HG2 VAL 12 HG23 VAL 12 8.468 20.675 18.674 84 H LYS 13 HN LYS 13 4.296 19.308 17.134 85 HA LYS 13 HA LYS 13 3.656 21.999 17.628 86 1HB LYS 13 HB2 LYS 13 1.830 19.651 16.964 87 2HB LYS 13 HB1 LYS 13 1.303 21.326 16.901 88 1HG LYS 13 HG2 LYS 13 3.048 21.851 15.250 89 2HG LYS 13 HG1 LYS 13 3.683 20.226 15.320 90 1HD LYS 13 HD2 LYS 13 1.246 19.466 14.656 91 2HD LYS 13 HD1 LYS 13 0.940 21.158 14.332 92 1HE LYS 13 HE2 LYS 13 1.555 20.126 12.224 93 2HE LYS 13 HE1 LYS 13 2.893 21.150 12.732 94 1HZ LYS 13 HZ1 LYS 13 3.239 18.642 13.954 95 2HZ LYS 13 HZ2 LYS 13 4.222 19.323 12.734 96 3HZ LYS 13 HZ3 LYS 13 2.910 18.333 12.312 97 H HIS 14 HN HIS 14 3.474 19.588 19.916 98 HA HIS 14 HA HIS 14 1.606 21.162 21.616 99 1HB HIS 14 HB2 HIS 14 2.040 18.135 21.430 100 2HB HIS 14 HB1 HIS 14 1.143 18.895 22.739 101 HD1 HIS 14 HD1 HIS 14 0.871 18.234 19.108 102 HD2 HIS 14 HD2 HIS 14 -1.369 19.945 22.047 103 HE1 HIS 14 HE1 HIS 14 -1.412 18.577 18.150 104 H LEU 15 HN LEU 15 4.754 21.320 21.335 105 HA LEU 15 HA LEU 15 5.744 20.208 23.802 106 1HB LEU 15 HB2 LEU 15 6.643 22.558 22.064 107 2HB LEU 15 HB1 LEU 15 7.538 22.102 23.490 108 HG LEU 15 HG LEU 15 7.060 20.361 21.081 109 1HD1 LEU 15 HD11 LEU 15 8.667 22.263 20.756 110 2HD1 LEU 15 HD12 LEU 15 9.483 20.707 20.783 111 3HD1 LEU 15 HD13 LEU 15 9.544 21.747 22.191 112 1HD2 LEU 15 HD21 LEU 15 8.682 19.939 23.645 113 2HD2 LEU 15 HD22 LEU 15 8.725 18.853 22.267 114 3HD2 LEU 15 HD23 LEU 15 7.252 19.022 23.189 115 H LYS 16 HN LYS 16 5.768 20.960 25.914 116 HA LYS 16 HA LYS 16 4.096 23.367 26.362 117 1HB LYS 16 HB2 LYS 16 3.731 21.119 27.232 118 2HB LYS 16 HB1 LYS 16 5.227 21.224 28.126 119 1HG LYS 16 HG2 LYS 16 4.337 23.042 29.521 120 2HG LYS 16 HG1 LYS 16 2.853 23.074 28.549 121 1HD LYS 16 HD2 LYS 16 2.543 20.679 28.935 122 2HD LYS 16 HD1 LYS 16 4.017 20.594 29.882 123 1HE LYS 16 HE2 LYS 16 3.029 21.911 31.619 124 2HE LYS 16 HE1 LYS 16 1.553 22.106 30.652 125 1HZ LYS 16 HZ1 LYS 16 0.916 20.016 31.277 126 2HZ LYS 16 HZ2 LYS 16 2.374 19.792 32.155 127 3HZ LYS 16 HZ3 LYS 16 2.279 19.401 30.541 128 H THR 17 HN THR 17 6.958 23.657 25.531 129 HA THR 17 HA THR 17 7.705 25.714 27.527 130 HB THR 17 HB THR 17 9.526 23.337 26.861 131 HG1 THR 17 HG1 THR 17 7.735 23.822 28.807 132 1HG2 THR 17 HG21 THR 17 10.080 25.652 28.768 133 2HG2 THR 17 HG22 THR 17 11.039 25.337 27.310 134 3HG2 THR 17 HG23 THR 17 11.018 24.201 28.629 135 H LYS 18 HN LYS 18 9.910 26.661 26.722 136 HA LYS 18 HA LYS 18 9.519 27.463 23.891 137 1HB LYS 18 HB2 LYS 18 9.615 29.310 25.402 138 2HB LYS 18 HB1 LYS 18 11.023 28.670 26.213 139 1HG LYS 18 HG2 LYS 18 11.684 30.545 24.798 140 2HG LYS 18 HG1 LYS 18 12.428 29.081 24.206 141 1HD LYS 18 HD2 LYS 18 10.859 28.953 22.308 142 2HD LYS 18 HD1 LYS 18 9.847 30.226 22.970 143 1HE LYS 18 HE2 LYS 18 11.204 31.232 21.241 144 2HE LYS 18 HE1 LYS 18 11.872 31.799 22.763 145 1HZ LYS 18 HZ1 LYS 18 13.063 29.291 21.847 146 2HZ LYS 18 HZ2 LYS 18 13.810 30.732 22.343 147 3HZ LYS 18 HZ3 LYS 18 13.307 30.532 20.765 148 HA PRO 19 HA PRO 19 13.228 24.887 23.291 149 1HB PRO 19 HB2 PRO 19 12.505 24.607 20.460 150 2HB PRO 19 HB1 PRO 19 12.444 23.384 21.722 151 1HG PRO 19 HG2 PRO 19 10.139 24.404 20.593 152 2HG PRO 19 HG1 PRO 19 10.199 23.840 22.264 153 1HD PRO 19 HD2 PRO 19 10.433 26.731 21.314 154 2HD PRO 19 HD1 PRO 19 9.402 26.008 22.576 155 H ALA 20 HN ALA 20 15.004 25.133 21.453 156 HA ALA 20 HA ALA 20 15.470 28.076 21.282 157 1HB ALA 20 HB1 ALA 20 17.753 27.425 20.518 158 2HB ALA 20 HB2 ALA 20 17.257 25.743 20.455 159 3HB ALA 20 HB3 ALA 20 17.309 26.579 21.987 160 H ASP 21 HN ASP 21 15.575 29.292 19.426 161 HA ASP 21 HA ASP 21 13.916 28.704 17.252 162 1HB ASP 21 HB2 ASP 21 16.328 30.571 17.592 163 2HB ASP 21 HB1 ASP 21 15.257 30.660 16.202 164 H GLU 22 HN GLU 22 17.503 28.063 17.564 165 HA GLU 22 HA GLU 22 17.857 26.988 15.020 166 1HB GLU 22 HB2 GLU 22 19.067 26.110 17.739 167 2HB GLU 22 HB1 GLU 22 19.759 25.673 16.198 168 1HG GLU 22 HG2 GLU 22 20.271 28.093 15.736 169 2HG GLU 22 HG1 GLU 22 19.596 28.548 17.290 170 H GLU 23 HN GLU 23 16.483 25.380 17.985 171 HA GLU 23 HA GLU 23 16.298 22.816 16.705 172 1HB GLU 23 HB2 GLU 23 14.668 24.089 18.995 173 2HB GLU 23 HB1 GLU 23 14.575 22.394 18.577 174 1HG GLU 23 HG2 GLU 23 17.212 22.394 18.956 175 2HG GLU 23 HG1 GLU 23 16.951 23.941 19.682 176 H MET 24 HN MET 24 14.109 25.452 17.123 177 HA MET 24 HA MET 24 11.795 24.474 15.749 178 1HB MET 24 HB2 MET 24 12.876 27.352 15.730 179 2HB MET 24 HB1 MET 24 11.225 26.888 15.334 180 1HG MET 24 HG2 MET 24 10.980 25.909 17.601 181 2HG MET 24 HG1 MET 24 12.590 26.416 18.007 182 1HE MET 24 HE1 MET 24 9.164 26.830 18.168 183 2HE MET 24 HE2 MET 24 8.829 28.320 17.278 184 3HE MET 24 HE3 MET 24 8.942 28.320 19.042 185 H LEU 25 HN LEU 25 14.647 26.122 14.423 186 HA LEU 25 HA LEU 25 14.007 26.041 11.687 187 1HB LEU 25 HB2 LEU 25 16.531 26.259 13.355 188 2HB LEU 25 HB1 LEU 25 16.597 26.351 11.637 189 HG LEU 25 HG LEU 25 14.781 28.191 13.280 190 1HD1 LEU 25 HD11 LEU 25 17.577 28.714 12.215 191 2HD1 LEU 25 HD12 LEU 25 17.142 28.555 13.901 192 3HD1 LEU 25 HD13 LEU 25 16.517 29.895 12.977 193 1HD2 LEU 25 HD21 LEU 25 14.294 27.928 10.829 194 2HD2 LEU 25 HD22 LEU 25 15.932 28.409 10.463 195 3HD2 LEU 25 HD23 LEU 25 14.825 29.547 11.224 196 H PHE 26 HN PHE 26 15.894 23.838 13.675 197 HA PHE 26 HA PHE 26 16.715 21.951 11.647 198 1HB PHE 26 HB2 PHE 26 17.595 21.981 14.016 199 2HB PHE 26 HB1 PHE 26 16.048 21.419 14.605 200 HD1 PHE 26 HD1 PHE 26 19.094 20.455 12.750 201 HD2 PHE 26 HD2 PHE 26 15.351 19.078 14.241 202 HE1 PHE 26 HE1 PHE 26 19.800 18.133 12.402 203 HE2 PHE 26 HE2 PHE 26 16.068 16.751 13.884 204 HZ PHE 26 HZ PHE 26 18.293 16.284 12.970 205 H ILE 27 HN ILE 27 14.034 21.958 13.889 206 HA ILE 27 HA ILE 27 12.548 19.750 12.876 207 HB ILE 27 HB ILE 27 11.875 22.358 14.308 208 1HG1 ILE 27 HG12 ILE 27 13.242 20.872 15.643 209 2HG1 ILE 27 HG11 ILE 27 11.651 20.969 16.353 210 1HG2 ILE 27 HG21 ILE 27 9.938 20.052 13.951 211 2HG2 ILE 27 HG22 ILE 27 9.766 21.615 13.190 212 3HG2 ILE 27 HG23 ILE 27 9.642 21.468 14.926 213 1HD1 ILE 27 HD1 ILE 27 12.670 18.657 14.587 214 2HD1 ILE 27 HD2 ILE 27 11.059 18.747 15.286 215 3HD1 ILE 27 HD3 ILE 27 12.461 18.595 16.323 216 H TYR 28 HN TYR 28 11.309 22.919 12.534 217 HA TYR 28 HA TYR 28 9.867 23.025 10.287 218 1HB TYR 28 HB2 TYR 28 10.811 25.107 11.367 219 2HB TYR 28 HB1 TYR 28 12.256 24.911 10.392 220 HD1 TYR 28 HD1 TYR 28 12.077 25.025 7.827 221 HD2 TYR 28 HD2 TYR 28 8.788 25.930 10.404 222 HE1 TYR 28 HE1 TYR 28 10.902 26.082 5.980 223 HE2 TYR 28 HE2 TYR 28 7.639 27.004 8.522 224 HH TYR 28 HH TYR 28 9.049 27.908 5.778 225 H SER 29 HN SER 29 13.492 23.114 9.595 226 HA SER 29 HA SER 29 13.272 22.795 6.853 227 1HB SER 29 HB2 SER 29 15.743 22.302 7.187 228 2HB SER 29 HB1 SER 29 15.242 23.651 8.189 229 HG SER 29 HG1 SER 29 15.134 22.335 9.935 230 H HIS 30 HN HIS 30 14.066 20.411 9.302 231 HA HIS 30 HA HIS 30 14.032 18.168 7.537 232 1HB HIS 30 HB2 HIS 30 13.737 18.488 10.579 233 2HB HIS 30 HB1 HIS 30 13.689 16.894 9.856 234 HD1 HIS 30 HD1 HIS 30 15.910 15.880 9.707 235 HD2 HIS 30 HD2 HIS 30 16.282 19.930 9.793 236 HE1 HIS 30 HE1 HIS 30 18.365 16.364 9.733 237 H TYR 31 HN TYR 31 11.458 19.752 9.320 238 HA TYR 31 HA TYR 31 9.445 17.721 8.936 239 1HB TYR 31 HB2 TYR 31 9.018 19.840 10.436 240 2HB TYR 31 HB1 TYR 31 8.890 20.766 8.980 241 HD1 TYR 31 HD1 TYR 31 7.341 17.692 10.620 242 HD2 TYR 31 HD2 TYR 31 6.849 20.924 7.869 243 HE1 TYR 31 HE1 TYR 31 4.988 17.067 10.273 244 HE2 TYR 31 HE2 TYR 31 4.493 20.276 7.570 245 HH TYR 31 HH TYR 31 3.076 17.447 9.064 246 H LYS 32 HN LYS 32 10.359 20.579 7.230 247 HA LYS 32 HA LYS 32 8.560 20.257 4.962 248 1HB LYS 32 HB2 LYS 32 11.239 21.704 5.206 249 2HB LYS 32 HB1 LYS 32 10.066 21.846 3.922 250 1HG LYS 32 HG2 LYS 32 9.347 22.555 6.763 251 2HG LYS 32 HG1 LYS 32 9.858 23.702 5.547 252 1HD LYS 32 HD2 LYS 32 7.911 22.205 4.148 253 2HD LYS 32 HD1 LYS 32 7.253 22.229 5.763 254 1HE LYS 32 HE2 LYS 32 8.196 24.685 4.345 255 2HE LYS 32 HE1 LYS 32 6.560 24.072 4.107 256 1HZ LYS 32 HZ1 LYS 32 7.508 25.737 6.135 257 2HZ LYS 32 HZ2 LYS 32 7.218 24.223 6.874 258 3HZ LYS 32 HZ3 LYS 32 5.955 25.049 6.082 259 H GLN 33 HN GLN 33 12.061 19.236 5.217 260 HA GLN 33 HA GLN 33 11.855 17.865 2.659 261 1HB GLN 33 HB2 GLN 33 13.716 17.299 4.998 262 2HB GLN 33 HB1 GLN 33 13.775 16.319 3.554 263 1HG GLN 33 HG2 GLN 33 14.212 19.322 3.636 264 2HG GLN 33 HG1 GLN 33 15.455 18.108 3.483 265 1HE2 GLN 33 HE21 GLN 33 14.298 16.462 1.456 266 2HE2 GLN 33 HE22 GLN 33 14.336 17.385 0.038 267 H ALA 34 HN ALA 34 11.127 16.696 5.916 268 HA ALA 34 HA ALA 34 10.656 13.939 5.298 269 1HB ALA 34 HB1 ALA 34 11.045 14.793 7.585 270 2HB ALA 34 HB2 ALA 34 9.511 13.944 7.501 271 3HB ALA 34 HB3 ALA 34 9.559 15.701 7.463 272 H THR 35 HN THR 35 8.641 16.739 4.934 273 HA THR 35 HA THR 35 6.330 14.991 4.136 274 HB THR 35 HB THR 35 4.847 16.998 4.546 275 HG1 THR 35 HG1 THR 35 7.190 18.078 5.600 276 1HG2 THR 35 HG21 THR 35 5.512 15.549 6.507 277 2HG2 THR 35 HG22 THR 35 5.221 17.224 6.941 278 3HG2 THR 35 HG23 THR 35 6.878 16.615 6.819 279 H VAL 36 HN VAL 36 7.646 17.999 3.207 280 HA VAL 36 HA VAL 36 6.254 17.863 0.553 281 HB VAL 36 HB VAL 36 8.131 20.069 1.541 282 1HG1 VAL 36 HG11 VAL 36 6.840 21.488 -0.104 283 2HG1 VAL 36 HG12 VAL 36 5.859 20.094 -0.523 284 3HG1 VAL 36 HG13 VAL 36 7.573 20.107 -0.909 285 1HG2 VAL 36 HG21 VAL 36 5.094 19.901 1.900 286 2HG2 VAL 36 HG22 VAL 36 6.060 21.312 2.277 287 3HG2 VAL 36 HG23 VAL 36 6.275 19.827 3.198 288 H GLY 37 HN GLY 37 9.432 17.826 1.892 289 1HA GLY 37 HA2 GLY 37 11.288 16.494 0.980 290 2HA GLY 37 HA1 GLY 37 10.564 16.655 -0.620 291 H ASP 38 HN ASP 38 12.057 17.609 -1.695 292 HA ASP 38 HA ASP 38 13.919 19.535 -0.953 293 1HB ASP 38 HB2 ASP 38 12.749 18.353 -3.440 294 2HB ASP 38 HB1 ASP 38 13.759 19.761 -3.615 295 H ILE 39 HN ILE 39 13.508 21.485 -0.222 296 HA ILE 39 HA ILE 39 11.403 23.175 -0.094 297 HB ILE 39 HB ILE 39 13.831 23.639 0.374 298 1HG1 ILE 39 HG12 ILE 39 12.323 26.022 -0.677 299 2HG1 ILE 39 HG11 ILE 39 11.483 25.045 0.449 300 1HG2 ILE 39 HG21 ILE 39 13.612 24.993 -2.361 301 2HG2 ILE 39 HG22 ILE 39 14.654 23.638 -1.977 302 3HG2 ILE 39 HG23 ILE 39 14.928 25.203 -1.223 303 1HD1 ILE 39 HD1 ILE 39 14.298 26.294 0.828 304 2HD1 ILE 39 HD2 ILE 39 13.566 25.219 1.975 305 3HD1 ILE 39 HD3 ILE 39 12.875 26.785 1.710 306 H ASN 40 HN ASN 40 9.794 23.671 -1.201 307 HA ASN 40 HA ASN 40 9.873 24.432 -3.976 308 1HB ASN 40 HB2 ASN 40 9.758 21.923 -4.025 309 2HB ASN 40 HB1 ASN 40 8.443 21.958 -2.861 310 1HD2 ASN 40 HD21 ASN 40 6.598 21.397 -3.924 311 2HD2 ASN 40 HD22 ASN 40 6.164 21.992 -5.464 312 H THR 41 HN THR 41 9.714 26.120 -2.321 313 HA THR 41 HA THR 41 6.911 26.675 -1.485 314 HB THR 41 HB THR 41 8.060 28.190 0.301 315 HG1 THR 41 HG1 THR 41 10.170 26.745 0.598 316 1HG2 THR 41 HG21 THR 41 8.487 25.221 0.527 317 2HG2 THR 41 HG22 THR 41 6.934 25.992 0.809 318 3HG2 THR 41 HG23 THR 41 8.294 26.425 1.836 319 H GLU 42 HN GLU 42 10.118 28.274 -1.698 320 HA GLU 42 HA GLU 42 10.721 29.576 -3.285 321 1HB GLU 42 HB2 GLU 42 7.981 30.749 -2.976 322 2HB GLU 42 HB1 GLU 42 9.246 31.930 -2.903 323 1HG GLU 42 HG2 GLU 42 9.192 29.813 -5.140 324 2HG GLU 42 HG1 GLU 42 8.512 31.411 -5.322 325 H ARG 43 HN ARG 43 12.260 30.772 -2.575 326 HA ARG 43 HA ARG 43 12.656 31.242 0.192 327 1HB ARG 43 HB2 ARG 43 14.404 30.882 -1.441 328 2HB ARG 43 HB1 ARG 43 14.034 32.409 -2.185 329 1HG ARG 43 HG2 ARG 43 14.718 33.572 -0.029 330 2HG ARG 43 HG1 ARG 43 14.757 31.989 0.755 331 1HD ARG 43 HD2 ARG 43 16.604 31.326 -0.844 332 2HD ARG 43 HD1 ARG 43 16.626 32.991 -1.395 333 HE ARG 43 HE ARG 43 16.961 32.345 1.564 334 1HH1 ARG 43 HH11 ARG 43 17.442 34.753 -0.454 335 2HH1 ARG 43 HH12 ARG 43 19.113 35.049 -0.018 336 1HH2 ARG 43 HH21 ARG 43 18.958 32.106 1.858 337 2HH2 ARG 43 HH22 ARG 43 20.047 33.420 1.491 338 HA PRO 44 HA PRO 44 10.256 34.964 0.713 339 1HB PRO 44 HB2 PRO 44 11.166 35.659 3.256 340 2HB PRO 44 HB1 PRO 44 9.957 34.399 2.975 341 1HG PRO 44 HG2 PRO 44 12.991 34.108 3.203 342 2HG PRO 44 HG1 PRO 44 11.748 33.218 4.113 343 1HD PRO 44 HD2 PRO 44 12.832 32.070 1.986 344 2HD PRO 44 HD1 PRO 44 11.059 31.971 2.140 345 H GLY 45 HN GLY 45 10.549 37.195 0.861 346 1HA GLY 45 HA2 GLY 45 12.974 38.079 -0.545 347 2HA GLY 45 HA1 GLY 45 11.644 39.137 -0.055 348 H MET 46 HN MET 46 14.531 39.353 0.233 349 HA MET 46 HA MET 46 15.908 39.095 2.467 350 1HB MET 46 HB2 MET 46 15.414 41.829 1.214 351 2HB MET 46 HB1 MET 46 16.792 41.412 2.203 352 1HG MET 46 HG2 MET 46 17.176 39.470 0.487 353 2HG MET 46 HG1 MET 46 16.067 40.355 -0.528 354 1HE MET 46 HE1 MET 46 19.262 39.402 0.136 355 2HE MET 46 HE2 MET 46 19.905 40.783 1.058 356 3HE MET 46 HE3 MET 46 20.327 40.541 -0.640 357 H LEU 47 HN LEU 47 12.972 40.933 2.705 358 HA LEU 47 HA LEU 47 13.630 41.926 5.402 359 1HB LEU 47 HB2 LEU 47 11.085 42.218 3.772 360 2HB LEU 47 HB1 LEU 47 11.472 43.120 5.212 361 HG LEU 47 HG LEU 47 13.135 43.252 2.649 362 1HD1 LEU 47 HD11 LEU 47 12.032 45.464 2.366 363 2HD1 LEU 47 HD12 LEU 47 11.083 45.187 3.814 364 3HD1 LEU 47 HD13 LEU 47 10.823 44.190 2.395 365 1HD2 LEU 47 HD21 LEU 47 14.100 45.260 3.769 366 2HD2 LEU 47 HD22 LEU 47 14.373 43.842 4.757 367 3HD2 LEU 47 HD23 LEU 47 13.091 44.966 5.175 368 H ASP 48 HN ASP 48 11.815 39.107 4.217 369 HA ASP 48 HA ASP 48 10.300 38.954 6.665 370 1HB ASP 48 HB2 ASP 48 10.566 37.458 4.044 371 2HB ASP 48 HB1 ASP 48 9.485 36.897 5.324 372 H PHE 49 HN PHE 49 12.342 39.162 7.606 373 HA PHE 49 HA PHE 49 14.412 37.362 7.967 374 1HB PHE 49 HB2 PHE 49 12.832 38.922 10.089 375 2HB PHE 49 HB1 PHE 49 14.368 38.173 10.440 376 HD1 PHE 49 HD1 PHE 49 16.302 38.868 8.705 377 HD2 PHE 49 HD2 PHE 49 12.859 41.234 9.552 378 HE1 PHE 49 HE1 PHE 49 17.500 40.880 7.969 379 HE2 PHE 49 HE2 PHE 49 14.059 43.243 8.819 380 HZ PHE 49 HZ PHE 49 16.381 43.072 8.023 381 H LYS 50 HN LYS 50 11.232 37.308 9.624 382 HA LYS 50 HA LYS 50 11.142 35.284 11.214 383 1HB LYS 50 HB2 LYS 50 9.083 35.893 9.049 384 2HB LYS 50 HB1 LYS 50 8.751 35.149 10.599 385 1HG LYS 50 HG2 LYS 50 9.697 37.341 11.651 386 2HG LYS 50 HG1 LYS 50 9.638 38.015 10.033 387 1HD LYS 50 HD2 LYS 50 7.267 37.467 9.761 388 2HD LYS 50 HD1 LYS 50 7.211 36.785 11.369 389 1HE LYS 50 HE2 LYS 50 7.887 39.670 10.695 390 2HE LYS 50 HE1 LYS 50 6.324 39.116 11.291 391 1HZ LYS 50 HZ1 LYS 50 7.115 39.128 13.384 392 2HZ LYS 50 HZ2 LYS 50 8.577 39.775 12.837 393 3HZ LYS 50 HZ3 LYS 50 8.374 38.085 12.953 394 H GLY 51 HN GLY 51 10.388 34.743 7.871 395 1HA GLY 51 HA2 GLY 51 10.543 31.802 8.220 396 2HA GLY 51 HA1 GLY 51 9.952 32.614 6.779 397 H LYS 52 HN LYS 52 12.297 34.373 6.410 398 HA LYS 52 HA LYS 52 13.870 32.984 4.693 399 1HB LYS 52 HB2 LYS 52 14.035 35.347 5.183 400 2HB LYS 52 HB1 LYS 52 14.639 35.013 6.788 401 1HG LYS 52 HG2 LYS 52 16.637 33.779 5.468 402 2HG LYS 52 HG1 LYS 52 16.039 34.710 4.102 403 1HD LYS 52 HD2 LYS 52 16.221 36.804 5.363 404 2HD LYS 52 HD1 LYS 52 16.592 35.924 6.833 405 1HE LYS 52 HE2 LYS 52 18.714 35.074 5.591 406 2HE LYS 52 HE1 LYS 52 18.375 36.347 4.409 407 1HZ LYS 52 HZ1 LYS 52 19.127 37.896 5.884 408 2HZ LYS 52 HZ2 LYS 52 19.474 36.676 7.038 409 3HZ LYS 52 HZ3 LYS 52 17.937 37.382 6.950 410 H ALA 53 HN ALA 53 14.687 33.094 8.143 411 HA ALA 53 HA ALA 53 16.963 31.338 7.938 412 1HB ALA 53 HB1 ALA 53 14.953 31.615 10.277 413 2HB ALA 53 HB2 ALA 53 16.356 32.626 10.025 414 3HB ALA 53 HB3 ALA 53 16.570 30.936 10.410 415 H LYS 54 HN LYS 54 13.702 30.518 8.928 416 HA LYS 54 HA LYS 54 13.800 27.726 8.844 417 1HB LYS 54 HB2 LYS 54 11.492 29.506 7.914 418 2HB LYS 54 HB1 LYS 54 11.310 27.882 8.505 419 1HG LYS 54 HG2 LYS 54 12.563 29.986 10.308 420 2HG LYS 54 HG1 LYS 54 10.842 29.918 10.055 421 1HD LYS 54 HD2 LYS 54 10.633 27.736 11.017 422 2HD LYS 54 HD1 LYS 54 12.310 27.344 10.804 423 1HE LYS 54 HE2 LYS 54 11.587 27.807 13.216 424 2HE LYS 54 HE1 LYS 54 12.948 28.774 12.683 425 1HZ LYS 54 HZ1 LYS 54 10.657 30.163 11.923 426 2HZ LYS 54 HZ2 LYS 54 11.790 30.585 13.118 427 3HZ LYS 54 HZ3 LYS 54 10.416 29.737 13.554 428 H TRP 55 HN TRP 55 13.234 29.862 6.007 429 HA TRP 55 HA TRP 55 12.759 27.813 4.161 430 1HB TRP 55 HB2 TRP 55 12.287 30.313 3.792 431 2HB TRP 55 HB1 TRP 55 13.990 30.547 3.513 432 HD1 TRP 55 HD1 TRP 55 10.823 29.025 1.745 433 HE1 TRP 55 HE1 TRP 55 11.555 28.288 -0.498 434 HE3 TRP 55 HE3 TRP 55 15.846 29.741 2.078 435 HZ2 TRP 55 HZ2 TRP 55 13.886 28.030 -2.124 436 HZ3 TRP 55 HZ3 TRP 55 17.317 29.241 0.176 437 HH2 TRP 55 HH2 TRP 55 16.346 28.384 -1.946 438 H ASP 56 HN ASP 56 15.509 29.826 4.618 439 HA ASP 56 HA ASP 56 17.330 28.418 2.968 440 1HB ASP 56 HB2 ASP 56 17.530 30.382 5.297 441 2HB ASP 56 HB1 ASP 56 19.015 29.643 4.694 442 H ALA 57 HN ALA 57 16.725 27.960 6.398 443 HA ALA 57 HA ALA 57 18.483 25.892 6.964 444 1HB ALA 57 HB1 ALA 57 15.689 26.422 8.086 445 2HB ALA 57 HB2 ALA 57 17.170 27.194 8.647 446 3HB ALA 57 HB3 ALA 57 16.925 25.463 8.874 447 H TRP 58 HN TRP 58 15.354 25.903 5.394 448 HA TRP 58 HA TRP 58 15.228 22.895 5.307 449 1HB TRP 58 HB2 TRP 58 13.164 24.212 5.378 450 2HB TRP 58 HB1 TRP 58 13.630 25.043 3.944 451 HD1 TRP 58 HD1 TRP 58 14.573 21.274 3.586 452 HE1 TRP 58 HE1 TRP 58 12.715 20.362 2.023 453 HE3 TRP 58 HE3 TRP 58 11.333 25.040 3.655 454 HZ2 TRP 58 HZ2 TRP 58 10.192 21.047 0.954 455 HZ3 TRP 58 HZ3 TRP 58 9.216 24.939 2.460 456 HH2 TRP 58 HH2 TRP 58 8.632 22.991 1.072 457 H ASN 59 HN ASN 59 15.785 25.556 2.934 458 HA ASN 59 HA ASN 59 16.304 24.130 0.643 459 1HB ASN 59 HB2 ASN 59 16.344 26.492 0.423 460 2HB ASN 59 HB1 ASN 59 17.258 26.710 1.888 461 1HD2 ASN 59 HD21 ASN 59 19.172 27.730 1.356 462 2HD2 ASN 59 HD22 ASN 59 20.155 27.188 0.049 463 H GLU 60 HN GLU 60 18.422 24.853 3.299 464 HA GLU 60 HA GLU 60 20.875 23.829 2.590 465 1HB GLU 60 HB2 GLU 60 20.385 25.102 4.638 466 2HB GLU 60 HB1 GLU 60 19.412 23.791 5.258 467 1HG GLU 60 HG2 GLU 60 21.343 22.357 5.542 468 2HG GLU 60 HG1 GLU 60 22.389 23.475 4.683 469 H LEU 61 HN LEU 61 18.090 22.169 3.184 470 HA LEU 61 HA LEU 61 19.274 19.410 3.261 471 1HB LEU 61 HB2 LEU 61 16.390 20.044 3.838 472 2HB LEU 61 HB1 LEU 61 17.305 18.598 4.238 473 HG LEU 61 HG LEU 61 17.858 21.322 5.465 474 1HD1 LEU 61 HD11 LEU 61 16.591 18.789 6.585 475 2HD1 LEU 61 HD12 LEU 61 15.705 20.249 6.149 476 3HD1 LEU 61 HD13 LEU 61 16.880 20.284 7.453 477 1HD2 LEU 61 HD21 LEU 61 18.976 18.514 6.017 478 2HD2 LEU 61 HD22 LEU 61 19.366 19.984 6.918 479 3HD2 LEU 61 HD23 LEU 61 19.859 19.822 5.245 480 H LYS 62 HN LYS 62 17.697 21.413 1.032 481 HA LYS 62 HA LYS 62 16.036 19.696 -0.443 482 1HB LYS 62 HB2 LYS 62 16.257 22.157 -0.759 483 2HB LYS 62 HB1 LYS 62 17.946 21.993 -1.139 484 1HG LYS 62 HG2 LYS 62 15.816 20.657 -2.885 485 2HG LYS 62 HG1 LYS 62 16.210 22.338 -3.130 486 1HD LYS 62 HD2 LYS 62 18.323 20.115 -3.163 487 2HD LYS 62 HD1 LYS 62 17.507 20.673 -4.587 488 1HE LYS 62 HE2 LYS 62 18.467 22.864 -4.433 489 2HE LYS 62 HE1 LYS 62 18.927 22.654 -2.757 490 1HZ LYS 62 HZ1 LYS 62 20.882 21.873 -3.421 491 2HZ LYS 62 HZ2 LYS 62 20.466 21.972 -5.071 492 3HZ LYS 62 HZ3 LYS 62 20.101 20.565 -4.197 493 H GLY 63 HN GLY 63 16.570 18.086 -1.927 494 1HA GLY 63 HA2 GLY 63 18.160 16.789 -3.299 495 2HA GLY 63 HA1 GLY 63 19.476 17.301 -2.215 496 H THR 64 HN THR 64 17.588 16.990 0.010 497 HA THR 64 HA THR 64 18.152 14.185 0.713 498 HB THR 64 HB THR 64 16.736 16.422 2.253 499 HG1 THR 64 HG1 THR 64 18.779 16.812 2.026 500 1HG2 THR 64 HG21 THR 64 17.276 15.115 4.249 501 2HG2 THR 64 HG22 THR 64 17.958 13.833 3.273 502 3HG2 THR 64 HG23 THR 64 16.208 14.120 3.289 503 H SER 65 HN SER 65 16.514 12.865 1.744 504 HA SER 65 HA SER 65 14.080 12.717 0.029 505 1HB SER 65 HB2 SER 65 15.157 10.581 0.046 506 2HB SER 65 HB1 SER 65 15.786 10.778 1.681 507 HG SER 65 HG1 SER 65 13.502 9.450 1.036 508 H LYS 66 HN LYS 66 12.518 11.346 1.778 509 HA LYS 66 HA LYS 66 11.600 13.492 3.616 510 1HB LYS 66 HB2 LYS 66 10.310 10.851 2.984 511 2HB LYS 66 HB1 LYS 66 9.548 12.188 3.811 512 1HG LYS 66 HG2 LYS 66 9.239 13.357 1.771 513 2HG LYS 66 HG1 LYS 66 10.414 12.370 0.917 514 1HD LYS 66 HD2 LYS 66 8.022 11.666 0.402 515 2HD LYS 66 HD1 LYS 66 8.940 10.367 1.115 516 1HE LYS 66 HE2 LYS 66 7.285 12.208 2.890 517 2HE LYS 66 HE1 LYS 66 6.524 10.877 2.030 518 1HZ LYS 66 HZ1 LYS 66 8.759 9.700 3.258 519 2HZ LYS 66 HZ2 LYS 66 7.142 9.614 3.824 520 3HZ LYS 66 HZ3 LYS 66 8.158 10.798 4.387 521 H GLU 67 HN GLU 67 12.508 10.149 3.320 522 HA GLU 67 HA GLU 67 12.118 9.206 5.885 523 1HB GLU 67 HB2 GLU 67 14.048 8.568 3.588 524 2HB GLU 67 HB1 GLU 67 13.943 7.529 4.959 525 1HG GLU 67 HG2 GLU 67 12.548 6.579 3.155 526 2HG GLU 67 HG1 GLU 67 11.453 7.109 4.409 527 H ASP 68 HN ASP 68 15.290 10.579 4.782 528 HA ASP 68 HA ASP 68 16.411 10.168 7.397 529 1HB ASP 68 HB2 ASP 68 17.168 11.342 4.810 530 2HB ASP 68 HB1 ASP 68 17.832 12.212 6.202 531 H ALA 69 HN ALA 69 14.896 12.807 5.948 532 HA ALA 69 HA ALA 69 15.065 14.691 8.073 533 1HB ALA 69 HB1 ALA 69 13.031 15.693 7.012 534 2HB ALA 69 HB2 ALA 69 12.704 14.181 6.174 535 3HB ALA 69 HB3 ALA 69 14.133 15.106 5.791 536 H MET 70 HN MET 70 12.562 12.202 7.453 537 HA MET 70 HA MET 70 11.025 12.395 9.727 538 1HB MET 70 HB2 MET 70 11.859 10.246 7.821 539 2HB MET 70 HB1 MET 70 10.932 9.764 9.176 540 1HG MET 70 HG2 MET 70 9.350 11.718 8.372 541 2HG MET 70 HG1 MET 70 10.350 11.850 6.999 542 1HE MET 70 HE1 MET 70 7.651 12.051 6.813 543 2HE MET 70 HE2 MET 70 6.835 10.775 7.746 544 3HE MET 70 HE3 MET 70 6.788 10.788 5.982 545 H LYS 71 HN LYS 71 13.714 10.187 9.304 546 HA LYS 71 HA LYS 71 13.834 9.106 11.892 547 1HB LYS 71 HB2 LYS 71 16.197 9.804 10.114 548 2HB LYS 71 HB1 LYS 71 16.395 8.878 11.581 549 1HG LYS 71 HG2 LYS 71 15.037 7.054 10.749 550 2HG LYS 71 HG1 LYS 71 14.675 7.914 9.263 551 1HD LYS 71 HD2 LYS 71 17.531 7.133 10.145 552 2HD LYS 71 HD1 LYS 71 16.576 6.225 8.975 553 1HE LYS 71 HE2 LYS 71 16.364 8.267 7.606 554 2HE LYS 71 HE1 LYS 71 17.427 9.134 8.729 555 1HZ LYS 71 HZ1 LYS 71 19.145 8.453 7.605 556 2HZ LYS 71 HZ2 LYS 71 18.196 7.725 6.503 557 3HZ LYS 71 HZ3 LYS 71 18.764 6.793 7.838 558 H ALA 72 HN ALA 72 15.962 11.790 10.733 559 HA ALA 72 HA ALA 72 17.051 12.528 13.118 560 1HB ALA 72 HB1 ALA 72 16.308 14.089 10.614 561 2HB ALA 72 HB2 ALA 72 17.798 13.210 10.903 562 3HB ALA 72 HB3 ALA 72 17.463 14.665 11.812 563 H TYR 73 HN TYR 73 14.108 13.852 11.625 564 HA TYR 73 HA TYR 73 13.556 15.768 13.628 565 1HB TYR 73 HB2 TYR 73 12.682 15.621 11.289 566 2HB TYR 73 HB1 TYR 73 11.784 14.193 11.712 567 HD1 TYR 73 HD1 TYR 73 10.114 14.511 13.810 568 HD2 TYR 73 HD2 TYR 73 11.638 17.654 11.364 569 HE1 TYR 73 HE1 TYR 73 8.233 15.945 14.430 570 HE2 TYR 73 HE2 TYR 73 9.760 19.042 12.007 571 HH TYR 73 HH TYR 73 7.998 18.671 14.507 572 H ILE 74 HN ILE 74 12.243 12.535 13.145 573 HA ILE 74 HA ILE 74 10.633 12.337 15.463 574 HB ILE 74 HB ILE 74 12.303 10.126 14.157 575 1HG1 ILE 74 HG12 ILE 74 9.296 10.527 13.995 576 2HG1 ILE 74 HG11 ILE 74 10.337 11.363 12.859 577 1HG2 ILE 74 HG21 ILE 74 9.959 10.001 16.150 578 2HG2 ILE 74 HG22 ILE 74 11.620 9.590 16.549 579 3HG2 ILE 74 HG23 ILE 74 10.731 8.608 15.420 580 1HD1 ILE 74 HD1 ILE 74 11.307 9.142 12.198 581 2HD1 ILE 74 HD2 ILE 74 9.578 9.206 11.912 582 3HD1 ILE 74 HD3 ILE 74 10.208 8.340 13.297 583 H ASP 75 HN ASP 75 14.035 11.277 15.176 584 HA ASP 75 HA ASP 75 14.380 10.684 17.898 585 1HB ASP 75 HB2 ASP 75 16.067 11.481 15.524 586 2HB ASP 75 HB1 ASP 75 16.847 11.342 17.075 587 H LYS 76 HN LYS 76 15.006 13.601 16.147 588 HA LYS 76 HA LYS 76 15.886 15.144 18.334 589 1HB LYS 76 HB2 LYS 76 15.255 15.727 15.695 590 2HB LYS 76 HB1 LYS 76 14.082 16.701 16.518 591 1HG LYS 76 HG2 LYS 76 17.103 16.785 16.878 592 2HG LYS 76 HG1 LYS 76 16.068 18.109 16.411 593 1HD LYS 76 HD2 LYS 76 15.043 18.131 18.761 594 2HD LYS 76 HD1 LYS 76 16.086 16.829 19.263 595 1HE LYS 76 HE2 LYS 76 17.145 18.733 20.020 596 2HE LYS 76 HE1 LYS 76 18.060 18.213 18.599 597 1HZ LYS 76 HZ1 LYS 76 16.668 20.564 19.032 598 2HZ LYS 76 HZ2 LYS 76 15.853 19.749 17.773 599 3HZ LYS 76 HZ3 LYS 76 17.504 20.118 17.596 600 H VAL 77 HN VAL 77 12.587 14.536 17.303 601 HA VAL 77 HA VAL 77 11.334 16.217 19.272 602 HB VAL 77 HB VAL 77 10.385 13.927 17.527 603 1HG1 VAL 77 HG11 VAL 77 8.784 15.854 19.298 604 2HG1 VAL 77 HG12 VAL 77 8.943 14.128 19.592 605 3HG1 VAL 77 HG13 VAL 77 8.088 14.707 18.193 606 1HG2 VAL 77 HG21 VAL 77 10.028 16.980 17.389 607 2HG2 VAL 77 HG22 VAL 77 9.340 15.829 16.278 608 3HG2 VAL 77 HG23 VAL 77 11.081 16.040 16.339 609 H GLU 78 HN GLU 78 11.895 12.684 19.098 610 HA GLU 78 HA GLU 78 10.662 12.030 21.532 611 1HB GLU 78 HB2 GLU 78 11.777 10.302 20.068 612 2HB GLU 78 HB1 GLU 78 13.356 10.901 20.545 613 1HG GLU 78 HG2 GLU 78 12.736 8.920 21.989 614 2HG GLU 78 HG1 GLU 78 12.736 10.328 23.016 615 H GLU 79 HN GLU 79 13.868 13.424 20.831 616 HA GLU 79 HA GLU 79 14.762 13.566 23.534 617 1HB GLU 79 HB2 GLU 79 15.502 14.964 20.897 618 2HB GLU 79 HB1 GLU 79 16.384 15.221 22.389 619 1HG GLU 79 HG2 GLU 79 15.872 12.364 21.474 620 2HG GLU 79 HG1 GLU 79 17.205 13.282 20.788 621 H LEU 80 HN LEU 80 13.532 16.188 21.399 622 HA LEU 80 HA LEU 80 13.280 18.181 23.364 623 1HB LEU 80 HB2 LEU 80 11.312 17.549 21.085 624 2HB LEU 80 HB1 LEU 80 11.237 19.032 22.010 625 HG LEU 80 HG LEU 80 13.636 18.236 20.360 626 1HD1 LEU 80 HD11 LEU 80 11.550 18.802 19.003 627 2HD1 LEU 80 HD12 LEU 80 12.773 20.050 18.865 628 3HD1 LEU 80 HD13 LEU 80 11.400 20.288 19.927 629 1HD2 LEU 80 HD21 LEU 80 14.095 19.770 22.303 630 2HD2 LEU 80 HD22 LEU 80 12.785 20.821 21.739 631 3HD2 LEU 80 HD23 LEU 80 14.204 20.595 20.773 632 H LYS 81 HN LYS 81 11.187 15.561 22.816 633 HA LYS 81 HA LYS 81 9.144 16.452 24.639 634 1HB LYS 81 HB2 LYS 81 8.664 14.926 22.882 635 2HB LYS 81 HB1 LYS 81 9.943 13.828 23.370 636 1HG LYS 81 HG2 LYS 81 8.654 13.363 25.520 637 2HG LYS 81 HG1 LYS 81 7.480 14.552 25.036 638 1HD LYS 81 HD2 LYS 81 6.731 12.166 24.514 639 2HD LYS 81 HD1 LYS 81 6.681 13.287 23.174 640 1HE LYS 81 HE2 LYS 81 7.657 11.065 22.562 641 2HE LYS 81 HE1 LYS 81 8.720 12.413 22.234 642 1HZ LYS 81 HZ1 LYS 81 10.222 11.540 23.656 643 2HZ LYS 81 HZ2 LYS 81 9.233 10.219 23.854 644 3HZ LYS 81 HZ3 LYS 81 9.120 11.560 24.937 645 H LYS 82 HN LYS 82 11.918 14.268 24.838 646 HA LYS 82 HA LYS 82 11.508 13.561 27.620 647 1HB LYS 82 HB2 LYS 82 13.834 13.530 25.702 648 2HB LYS 82 HB1 LYS 82 14.219 13.310 27.381 649 1HG LYS 82 HG2 LYS 82 11.875 11.675 26.445 650 2HG LYS 82 HG1 LYS 82 13.354 11.341 25.581 651 1HD LYS 82 HD2 LYS 82 13.142 9.893 27.597 652 2HD LYS 82 HD1 LYS 82 14.573 10.909 27.658 653 1HE LYS 82 HE2 LYS 82 13.208 12.537 29.139 654 2HE LYS 82 HE1 LYS 82 11.950 11.314 29.172 655 1HZ LYS 82 HZ1 LYS 82 14.372 10.030 29.652 656 2HZ LYS 82 HZ2 LYS 82 13.101 10.247 30.763 657 3HZ LYS 82 HZ3 LYS 82 14.356 11.381 30.673 658 H LYS 83 HN LYS 83 13.344 16.007 26.109 659 HA LYS 83 HA LYS 83 14.537 17.365 28.258 660 1HB LYS 83 HB2 LYS 83 14.897 17.259 25.636 661 2HB LYS 83 HB1 LYS 83 13.828 18.622 25.611 662 1HG LYS 83 HG2 LYS 83 16.506 18.507 26.996 663 2HG LYS 83 HG1 LYS 83 16.136 19.353 25.516 664 1HD LYS 83 HD2 LYS 83 14.392 20.743 26.787 665 2HD LYS 83 HD1 LYS 83 14.961 20.036 28.275 666 1HE LYS 83 HE2 LYS 83 16.672 21.644 26.376 667 2HE LYS 83 HE1 LYS 83 16.009 22.222 27.907 668 1HZ LYS 83 HZ1 LYS 83 18.318 20.644 27.505 669 2HZ LYS 83 HZ2 LYS 83 17.159 19.715 28.341 670 3HZ LYS 83 HZ3 LYS 83 17.697 21.185 28.999 671 H TYR 84 HN TYR 84 11.819 18.290 26.427 672 HA TYR 84 HA TYR 84 11.083 20.449 28.340 673 1HB TYR 84 HB2 TYR 84 10.249 19.920 25.472 674 2HB TYR 84 HB1 TYR 84 9.690 21.265 26.428 675 HD1 TYR 84 HD1 TYR 84 11.845 22.619 27.574 676 HD2 TYR 84 HD2 TYR 84 11.981 20.407 23.963 677 HE1 TYR 84 HE1 TYR 84 13.803 23.948 26.812 678 HE2 TYR 84 HE2 TYR 84 13.940 21.744 23.232 679 HH TYR 84 HH TYR 84 15.192 23.522 23.573 680 H GLY 85 HN GLY 85 9.570 17.447 27.131 681 1HA GLY 85 HA2 GLY 85 7.647 16.382 27.975 682 2HA GLY 85 HA1 GLY 85 7.645 17.539 29.279 683 H ILE 86 HN ILE 86 5.527 16.697 28.738 684 HA ILE 86 HA ILE 86 3.846 18.598 27.121 685 HB ILE 86 HB ILE 86 3.937 16.142 26.342 686 1HG1 ILE 86 HG12 ILE 86 1.100 16.841 27.158 687 2HG1 ILE 86 HG11 ILE 86 1.937 17.812 25.969 688 1HG2 ILE 86 HG21 ILE 86 2.572 14.496 27.663 689 2HG2 ILE 86 HG22 ILE 86 2.315 15.718 28.899 690 3HG2 ILE 86 HG23 ILE 86 3.925 15.089 28.610 691 1HD1 ILE 86 HD1 ILE 86 1.487 14.773 25.734 692 2HD1 ILE 86 HD2 ILE 86 2.317 15.758 24.548 693 3HD1 ILE 86 HD3 ILE 86 0.609 15.998 24.838 Start of MODEL 5 1 1H SER 1 HT1 SER 1 6.693 3.113 8.925 2 2H SER 1 HT2 SER 1 6.716 4.657 9.612 3 3H SER 1 HT3 SER 1 8.140 4.017 9.033 4 HA SER 1 HA SER 1 7.830 4.825 7.036 5 1HB SER 1 HB2 SER 1 6.454 2.834 6.456 6 2HB SER 1 HB1 SER 1 4.999 3.622 7.069 7 HG SER 1 HG1 SER 1 6.219 5.347 5.333 8 H GLN 2 HN GLN 2 4.902 5.641 8.983 9 HA GLN 2 HA GLN 2 5.308 8.454 8.090 10 1HB GLN 2 HB2 GLN 2 3.813 7.474 6.442 11 2HB GLN 2 HB1 GLN 2 2.706 6.921 7.678 12 1HG GLN 2 HG2 GLN 2 1.839 9.029 6.677 13 2HG GLN 2 HG1 GLN 2 2.304 9.364 8.326 14 1HE2 GLN 2 HE21 GLN 2 2.711 11.679 7.890 15 2HE2 GLN 2 HE22 GLN 2 4.007 12.112 6.872 16 H ALA 3 HN ALA 3 3.153 6.411 10.031 17 HA ALA 3 HA ALA 3 2.029 8.289 11.704 18 1HB ALA 3 HB1 ALA 3 3.011 5.455 12.335 19 2HB ALA 3 HB2 ALA 3 1.452 5.863 11.642 20 3HB ALA 3 HB3 ALA 3 1.822 6.314 13.294 21 H GLU 4 HN GLU 4 5.101 6.631 12.233 22 HA GLU 4 HA GLU 4 5.770 7.804 14.662 23 1HB GLU 4 HB2 GLU 4 8.131 7.304 14.102 24 2HB GLU 4 HB1 GLU 4 7.095 5.947 13.697 25 1HG GLU 4 HG2 GLU 4 8.040 7.985 11.622 26 2HG GLU 4 HG1 GLU 4 8.907 6.536 12.000 27 H PHE 5 HN PHE 5 6.127 9.028 11.552 28 HA PHE 5 HA PHE 5 7.656 11.470 12.255 29 1HB PHE 5 HB2 PHE 5 7.786 10.542 9.958 30 2HB PHE 5 HB1 PHE 5 6.045 10.827 9.839 31 HD1 PHE 5 HD1 PHE 5 9.299 12.664 10.317 32 HD2 PHE 5 HD2 PHE 5 5.204 12.908 9.205 33 HE1 PHE 5 HE1 PHE 5 9.633 14.987 9.570 34 HE2 PHE 5 HE2 PHE 5 5.516 15.181 8.495 35 HZ PHE 5 HZ PHE 5 7.745 16.255 8.646 36 H ASP 6 HN ASP 6 4.224 10.968 11.232 37 HA ASP 6 HA ASP 6 3.422 13.649 11.709 38 1HB ASP 6 HB2 ASP 6 2.053 10.925 11.810 39 2HB ASP 6 HB1 ASP 6 1.200 12.449 11.869 40 H LYS 7 HN LYS 7 3.646 10.844 13.752 41 HA LYS 7 HA LYS 7 2.681 11.876 16.168 42 1HB LYS 7 HB2 LYS 7 3.315 9.508 15.960 43 2HB LYS 7 HB1 LYS 7 4.944 9.909 15.542 44 1HG LYS 7 HG2 LYS 7 3.941 10.970 18.207 45 2HG LYS 7 HG1 LYS 7 4.201 9.262 18.131 46 1HD LYS 7 HD2 LYS 7 6.508 11.026 17.176 47 2HD LYS 7 HD1 LYS 7 6.185 10.989 18.896 48 1HE LYS 7 HE2 LYS 7 7.744 9.306 18.636 49 2HE LYS 7 HE1 LYS 7 6.236 8.417 18.707 50 1HZ LYS 7 HZ1 LYS 7 8.117 8.326 16.708 51 2HZ LYS 7 HZ2 LYS 7 6.876 9.220 15.996 52 3HZ LYS 7 HZ3 LYS 7 6.568 7.662 16.609 53 H ALA 8 HN ALA 8 6.133 11.874 14.844 54 HA ALA 8 HA ALA 8 7.072 13.558 16.879 55 1HB ALA 8 HB1 ALA 8 8.419 12.380 15.235 56 2HB ALA 8 HB2 ALA 8 8.868 14.070 15.128 57 3HB ALA 8 HB3 ALA 8 7.815 13.364 13.923 58 H ALA 9 HN ALA 9 5.717 14.443 13.925 59 HA ALA 9 HA ALA 9 5.840 17.313 13.987 60 1HB ALA 9 HB1 ALA 9 3.630 15.601 12.773 61 2HB ALA 9 HB2 ALA 9 5.138 15.995 11.981 62 3HB ALA 9 HB3 ALA 9 3.955 17.258 12.328 63 H GLU 10 HN GLU 10 3.139 15.325 15.147 64 HA GLU 10 HA GLU 10 1.651 17.557 16.054 65 1HB GLU 10 HB2 GLU 10 0.769 15.339 15.235 66 2HB GLU 10 HB1 GLU 10 1.450 14.579 16.660 67 1HG GLU 10 HG2 GLU 10 -0.300 15.286 17.935 68 2HG GLU 10 HG1 GLU 10 -0.029 16.961 17.505 69 H GLU 11 HN GLU 11 3.892 15.138 17.499 70 HA GLU 11 HA GLU 11 3.488 15.786 20.178 71 1HB GLU 11 HB2 GLU 11 5.760 14.816 18.442 72 2HB GLU 11 HB1 GLU 11 6.019 15.054 20.135 73 1HG GLU 11 HG2 GLU 11 3.630 13.395 19.314 74 2HG GLU 11 HG1 GLU 11 5.215 12.695 19.106 75 H VAL 12 HN VAL 12 5.856 17.082 17.864 76 HA VAL 12 HA VAL 12 6.929 19.058 19.634 77 HB VAL 12 HB VAL 12 7.371 18.264 17.029 78 1HG1 VAL 12 HG11 VAL 12 5.708 19.845 16.036 79 2HG1 VAL 12 HG12 VAL 12 7.338 20.280 15.588 80 3HG1 VAL 12 HG13 VAL 12 6.517 21.202 16.826 81 1HG2 VAL 12 HG21 VAL 12 9.209 20.008 17.093 82 2HG2 VAL 12 HG22 VAL 12 9.099 19.094 18.574 83 3HG2 VAL 12 HG23 VAL 12 8.427 20.722 18.492 84 H LYS 13 HN LYS 13 4.220 19.289 17.298 85 HA LYS 13 HA LYS 13 3.435 21.920 17.722 86 1HB LYS 13 HB2 LYS 13 2.081 19.390 16.993 87 2HB LYS 13 HB1 LYS 13 0.976 20.569 17.679 88 1HG LYS 13 HG2 LYS 13 1.573 22.212 15.954 89 2HG LYS 13 HG1 LYS 13 2.866 21.193 15.387 90 1HD LYS 13 HD2 LYS 13 0.940 21.050 13.852 91 2HD LYS 13 HD1 LYS 13 1.288 19.496 14.544 92 1HE LYS 13 HE2 LYS 13 -0.954 21.314 15.558 93 2HE LYS 13 HE1 LYS 13 -1.207 20.100 14.312 94 1HZ LYS 13 HZ1 LYS 13 -1.351 18.601 15.847 95 2HZ LYS 13 HZ2 LYS 13 -1.229 19.701 17.090 96 3HZ LYS 13 HZ3 LYS 13 0.159 18.883 16.474 97 H HIS 14 HN HIS 14 3.618 19.662 20.161 98 HA HIS 14 HA HIS 14 1.988 21.332 21.987 99 1HB HIS 14 HB2 HIS 14 2.127 18.299 21.974 100 2HB HIS 14 HB1 HIS 14 1.211 19.267 23.109 101 HD1 HIS 14 HD1 HIS 14 1.104 18.087 19.668 102 HD2 HIS 14 HD2 HIS 14 -1.175 20.434 22.103 103 HE1 HIS 14 HE1 HIS 14 -1.116 18.353 18.544 104 H LEU 15 HN LEU 15 5.097 21.090 21.613 105 HA LEU 15 HA LEU 15 5.870 19.775 24.111 106 1HB LEU 15 HB2 LEU 15 7.395 21.708 22.303 107 2HB LEU 15 HB1 LEU 15 8.094 21.004 23.751 108 HG LEU 15 HG LEU 15 6.810 19.357 21.557 109 1HD1 LEU 15 HD11 LEU 15 9.162 18.805 20.846 110 2HD1 LEU 15 HD12 LEU 15 9.770 19.951 22.029 111 3HD1 LEU 15 HD13 LEU 15 8.841 20.529 20.657 112 1HD2 LEU 15 HD21 LEU 15 8.101 17.525 22.553 113 2HD2 LEU 15 HD22 LEU 15 6.991 18.200 23.731 114 3HD2 LEU 15 HD23 LEU 15 8.708 18.596 23.821 115 H LYS 16 HN LYS 16 4.358 20.753 25.409 116 HA LYS 16 HA LYS 16 3.629 23.065 26.384 117 1HB LYS 16 HB2 LYS 16 4.768 20.751 27.960 118 2HB LYS 16 HB1 LYS 16 4.058 22.092 28.820 119 1HG LYS 16 HG2 LYS 16 2.586 20.506 26.634 120 2HG LYS 16 HG1 LYS 16 2.533 20.052 28.312 121 1HD LYS 16 HD2 LYS 16 1.622 22.795 27.294 122 2HD LYS 16 HD1 LYS 16 0.555 21.426 27.517 123 1HE LYS 16 HE2 LYS 16 1.174 21.324 29.939 124 2HE LYS 16 HE1 LYS 16 2.219 22.724 29.724 125 1HZ LYS 16 HZ1 LYS 16 -0.581 22.701 30.150 126 2HZ LYS 16 HZ2 LYS 16 -0.284 23.310 28.594 127 3HZ LYS 16 HZ3 LYS 16 0.440 24.050 29.935 128 H THR 17 HN THR 17 6.929 22.480 26.522 129 HA THR 17 HA THR 17 7.461 24.842 28.311 130 HB THR 17 HB THR 17 9.265 22.543 27.388 131 HG1 THR 17 HG1 THR 17 8.120 21.645 28.913 132 1HG2 THR 17 HG21 THR 17 10.524 23.020 29.428 133 2HG2 THR 17 HG22 THR 17 9.434 24.311 29.883 134 3HG2 THR 17 HG23 THR 17 10.587 24.529 28.570 135 H LYS 18 HN LYS 18 9.899 25.790 27.510 136 HA LYS 18 HA LYS 18 9.262 27.241 25.022 137 1HB LYS 18 HB2 LYS 18 9.534 28.460 27.042 138 2HB LYS 18 HB1 LYS 18 11.117 27.772 27.329 139 1HG LYS 18 HG2 LYS 18 12.036 28.932 25.359 140 2HG LYS 18 HG1 LYS 18 10.445 29.547 24.945 141 1HD LYS 18 HD2 LYS 18 10.385 30.818 27.154 142 2HD LYS 18 HD1 LYS 18 11.899 30.082 27.618 143 1HE LYS 18 HE2 LYS 18 12.286 32.382 26.879 144 2HE LYS 18 HE1 LYS 18 13.080 31.265 25.780 145 1HZ LYS 18 HZ1 LYS 18 10.418 31.617 24.928 146 2HZ LYS 18 HZ2 LYS 18 11.823 32.054 24.102 147 3HZ LYS 18 HZ3 LYS 18 11.075 33.163 25.153 148 HA PRO 19 HA PRO 19 12.695 24.949 23.054 149 1HB PRO 19 HB2 PRO 19 11.187 25.317 20.539 150 2HB PRO 19 HB1 PRO 19 11.666 23.818 21.329 151 1HG PRO 19 HG2 PRO 19 9.052 24.547 21.310 152 2HG PRO 19 HG1 PRO 19 9.740 23.859 22.792 153 1HD PRO 19 HD2 PRO 19 9.524 26.831 22.144 154 2HD PRO 19 HD1 PRO 19 8.813 25.963 23.531 155 H ALA 20 HN ALA 20 14.249 25.459 21.458 156 HA ALA 20 HA ALA 20 14.694 28.360 21.127 157 1HB ALA 20 HB1 ALA 20 17.077 27.690 20.829 158 2HB ALA 20 HB2 ALA 20 16.610 26.001 20.959 159 3HB ALA 20 HB3 ALA 20 16.406 27.072 22.332 160 H ASP 21 HN ASP 21 15.402 29.314 19.362 161 HA ASP 21 HA ASP 21 14.250 29.107 16.919 162 1HB ASP 21 HB2 ASP 21 15.939 30.814 18.060 163 2HB ASP 21 HB1 ASP 21 17.172 29.945 17.186 164 H GLU 22 HN GLU 22 17.558 27.826 17.459 165 HA GLU 22 HA GLU 22 17.798 26.430 15.052 166 1HB GLU 22 HB2 GLU 22 18.882 25.553 17.830 167 2HB GLU 22 HB1 GLU 22 19.470 24.916 16.317 168 1HG GLU 22 HG2 GLU 22 20.146 27.415 15.756 169 2HG GLU 22 HG1 GLU 22 19.949 27.703 17.469 170 H GLU 23 HN GLU 23 16.156 25.155 17.962 171 HA GLU 23 HA GLU 23 15.815 22.525 16.876 172 1HB GLU 23 HB2 GLU 23 14.882 24.097 19.161 173 2HB GLU 23 HB1 GLU 23 13.542 23.188 18.524 174 1HG GLU 23 HG2 GLU 23 14.403 21.636 19.899 175 2HG GLU 23 HG1 GLU 23 15.435 21.188 18.553 176 H MET 24 HN MET 24 13.758 25.224 17.191 177 HA MET 24 HA MET 24 11.457 24.501 15.693 178 1HB MET 24 HB2 MET 24 12.818 27.264 15.583 179 2HB MET 24 HB1 MET 24 11.116 26.950 15.259 180 1HG MET 24 HG2 MET 24 12.506 26.497 17.919 181 2HG MET 24 HG1 MET 24 11.501 27.845 17.544 182 1HE MET 24 HE1 MET 24 9.383 28.101 17.935 183 2HE MET 24 HE2 MET 24 9.254 27.404 19.561 184 3HE MET 24 HE3 MET 24 8.130 26.936 18.265 185 H LEU 25 HN LEU 25 14.426 25.951 14.518 186 HA LEU 25 HA LEU 25 13.942 25.876 11.766 187 1HB LEU 25 HB2 LEU 25 16.209 26.195 13.717 188 2HB LEU 25 HB1 LEU 25 16.678 25.946 12.065 189 HG LEU 25 HG LEU 25 14.556 28.013 12.803 190 1HD1 LEU 25 HD11 LEU 25 16.716 28.575 14.014 191 2HD1 LEU 25 HD12 LEU 25 16.383 29.694 12.703 192 3HD1 LEU 25 HD13 LEU 25 17.567 28.412 12.499 193 1HD2 LEU 25 HD21 LEU 25 16.596 27.654 10.578 194 2HD2 LEU 25 HD22 LEU 25 15.346 28.865 10.580 195 3HD2 LEU 25 HD23 LEU 25 14.932 27.153 10.446 196 H PHE 26 HN PHE 26 15.748 23.548 13.761 197 HA PHE 26 HA PHE 26 16.518 21.726 11.717 198 1HB PHE 26 HB2 PHE 26 17.281 21.770 14.154 199 2HB PHE 26 HB1 PHE 26 15.740 21.096 14.621 200 HD1 PHE 26 HD1 PHE 26 18.988 20.381 13.141 201 HD2 PHE 26 HD2 PHE 26 15.101 18.788 13.842 202 HE1 PHE 26 HE1 PHE 26 19.826 18.114 12.677 203 HE2 PHE 26 HE2 PHE 26 15.934 16.535 13.387 204 HZ PHE 26 HZ PHE 26 18.285 16.181 12.797 205 H ILE 27 HN ILE 27 13.805 21.719 13.901 206 HA ILE 27 HA ILE 27 12.317 19.547 12.783 207 HB ILE 27 HB ILE 27 11.478 22.087 14.312 208 1HG1 ILE 27 HG12 ILE 27 13.034 20.714 15.587 209 2HG1 ILE 27 HG11 ILE 27 11.462 20.720 16.338 210 1HG2 ILE 27 HG21 ILE 27 9.515 21.063 13.141 211 2HG2 ILE 27 HG22 ILE 27 9.402 20.943 14.883 212 3HG2 ILE 27 HG23 ILE 27 9.850 19.536 13.954 213 1HD1 ILE 27 HD1 ILE 27 12.600 18.462 14.576 214 2HD1 ILE 27 HD2 ILE 27 11.008 18.443 15.326 215 3HD1 ILE 27 HD3 ILE 27 12.447 18.416 16.317 216 H TYR 28 HN TYR 28 11.100 22.780 12.571 217 HA TYR 28 HA TYR 28 9.597 22.891 10.349 218 1HB TYR 28 HB2 TYR 28 10.564 24.967 11.519 219 2HB TYR 28 HB1 TYR 28 11.924 24.859 10.418 220 HD1 TYR 28 HD1 TYR 28 8.228 25.044 10.616 221 HD2 TYR 28 HD2 TYR 28 11.637 25.591 8.093 222 HE1 TYR 28 HE1 TYR 28 6.807 26.053 8.894 223 HE2 TYR 28 HE2 TYR 28 10.207 26.600 6.386 224 HH TYR 28 HH TYR 28 7.736 27.865 6.561 225 H SER 29 HN SER 29 13.209 23.124 9.731 226 HA SER 29 HA SER 29 13.082 22.940 6.997 227 1HB SER 29 HB2 SER 29 15.550 22.502 7.386 228 2HB SER 29 HB1 SER 29 14.983 23.697 8.521 229 HG SER 29 HG1 SER 29 14.860 22.206 10.101 230 H HIS 30 HN HIS 30 13.924 20.382 9.243 231 HA HIS 30 HA HIS 30 13.934 18.267 7.353 232 1HB HIS 30 HB2 HIS 30 13.479 18.333 10.385 233 2HB HIS 30 HB1 HIS 30 13.717 16.832 9.495 234 HD1 HIS 30 HD1 HIS 30 15.664 20.091 9.741 235 HD2 HIS 30 HD2 HIS 30 16.247 16.045 9.598 236 HE1 HIS 30 HE1 HIS 30 18.116 19.721 9.916 237 H TYR 31 HN TYR 31 11.238 19.736 9.111 238 HA TYR 31 HA TYR 31 9.357 17.608 8.514 239 1HB TYR 31 HB2 TYR 31 8.880 19.423 10.241 240 2HB TYR 31 HB1 TYR 31 8.805 20.603 8.977 241 HD1 TYR 31 HD1 TYR 31 6.973 20.527 7.290 242 HD2 TYR 31 HD2 TYR 31 7.004 17.834 10.606 243 HE1 TYR 31 HE1 TYR 31 4.600 20.006 6.932 244 HE2 TYR 31 HE2 TYR 31 4.639 17.337 10.206 245 HH TYR 31 HH TYR 31 2.826 17.761 8.941 246 H LYS 32 HN LYS 32 10.176 20.694 7.026 247 HA LYS 32 HA LYS 32 8.335 20.353 4.786 248 1HB LYS 32 HB2 LYS 32 11.023 21.776 4.715 249 2HB LYS 32 HB1 LYS 32 9.679 21.897 3.598 250 1HG LYS 32 HG2 LYS 32 9.386 22.680 6.471 251 2HG LYS 32 HG1 LYS 32 9.854 23.776 5.211 252 1HD LYS 32 HD2 LYS 32 7.769 23.172 3.898 253 2HD LYS 32 HD1 LYS 32 7.247 22.155 5.241 254 1HE LYS 32 HE2 LYS 32 7.356 24.097 6.748 255 2HE LYS 32 HE1 LYS 32 7.923 25.082 5.392 256 1HZ LYS 32 HZ1 LYS 32 5.246 24.468 6.093 257 2HZ LYS 32 HZ2 LYS 32 5.563 23.830 4.570 258 3HZ LYS 32 HZ3 LYS 32 5.828 25.496 4.886 259 H GLN 33 HN GLN 33 11.808 19.584 5.019 260 HA GLN 33 HA GLN 33 11.939 18.275 2.459 261 1HB GLN 33 HB2 GLN 33 13.866 18.950 3.986 262 2HB GLN 33 HB1 GLN 33 13.535 17.531 4.951 263 1HG GLN 33 HG2 GLN 33 15.385 17.273 3.168 264 2HG GLN 33 HG1 GLN 33 14.138 16.039 3.053 265 1HE2 GLN 33 HE21 GLN 33 14.206 15.703 0.796 266 2HE2 GLN 33 HE22 GLN 33 13.953 16.920 -0.368 267 H ALA 34 HN ALA 34 11.146 16.843 5.587 268 HA ALA 34 HA ALA 34 10.868 14.141 4.663 269 1HB ALA 34 HB1 ALA 34 11.281 14.749 7.032 270 2HB ALA 34 HB2 ALA 34 9.786 13.840 6.899 271 3HB ALA 34 HB3 ALA 34 9.747 15.585 7.079 272 H THR 35 HN THR 35 8.591 16.832 4.706 273 HA THR 35 HA THR 35 6.445 14.976 3.707 274 HB THR 35 HB THR 35 4.720 16.513 4.567 275 HG1 THR 35 HG1 THR 35 6.958 17.993 5.447 276 1HG2 THR 35 HG21 THR 35 7.018 16.390 6.585 277 2HG2 THR 35 HG22 THR 35 5.899 15.061 6.327 278 3HG2 THR 35 HG23 THR 35 5.305 16.608 6.929 279 H VAL 36 HN VAL 36 7.519 18.169 3.200 280 HA VAL 36 HA VAL 36 5.823 18.584 0.802 281 HB VAL 36 HB VAL 36 7.996 20.352 2.068 282 1HG1 VAL 36 HG11 VAL 36 5.848 21.006 -0.008 283 2HG1 VAL 36 HG12 VAL 36 7.572 20.936 -0.316 284 3HG1 VAL 36 HG13 VAL 36 6.914 22.197 0.715 285 1HG2 VAL 36 HG21 VAL 36 6.067 21.637 3.025 286 2HG2 VAL 36 HG22 VAL 36 6.075 19.972 3.584 287 3HG2 VAL 36 HG23 VAL 36 4.959 20.467 2.316 288 H GLY 37 HN GLY 37 9.121 18.234 1.599 289 1HA GLY 37 HA2 GLY 37 10.674 16.846 0.273 290 2HA GLY 37 HA1 GLY 37 9.854 17.405 -1.182 291 H ASP 38 HN ASP 38 11.917 17.875 -2.006 292 HA ASP 38 HA ASP 38 13.774 19.597 -0.952 293 1HB ASP 38 HB2 ASP 38 13.038 19.532 -3.899 294 2HB ASP 38 HB1 ASP 38 14.631 19.537 -3.120 295 H ILE 39 HN ILE 39 13.604 21.746 -0.479 296 HA ILE 39 HA ILE 39 11.310 23.343 -0.706 297 HB ILE 39 HB ILE 39 13.499 23.903 0.386 298 1HG1 ILE 39 HG12 ILE 39 12.296 26.243 -1.183 299 2HG1 ILE 39 HG11 ILE 39 11.204 25.299 -0.338 300 1HG2 ILE 39 HG21 ILE 39 14.980 23.841 -1.618 301 2HG2 ILE 39 HG22 ILE 39 14.947 25.453 -0.930 302 3HG2 ILE 39 HG23 ILE 39 14.055 25.116 -2.381 303 1HD1 ILE 39 HD1 ILE 39 12.018 26.808 1.398 304 2HD1 ILE 39 HD2 ILE 39 13.703 26.533 0.950 305 3HD1 ILE 39 HD3 ILE 39 12.764 25.307 1.714 306 H ASN 40 HN ASN 40 10.271 24.065 -2.191 307 HA ASN 40 HA ASN 40 11.202 23.870 -5.048 308 1HB ASN 40 HB2 ASN 40 8.591 25.349 -4.135 309 2HB ASN 40 HB1 ASN 40 8.905 24.544 -5.647 310 1HD2 ASN 40 HD21 ASN 40 9.910 22.100 -3.501 311 2HD2 ASN 40 HD22 ASN 40 8.358 21.474 -3.302 312 H THR 41 HN THR 41 9.623 26.504 -3.380 313 HA THR 41 HA THR 41 11.865 28.153 -2.863 314 HB THR 41 HB THR 41 11.155 30.116 -4.291 315 HG1 THR 41 HG1 THR 41 8.983 28.681 -4.508 316 1HG2 THR 41 HG21 THR 41 12.765 28.507 -5.441 317 2HG2 THR 41 HG22 THR 41 11.670 29.345 -6.533 318 3HG2 THR 41 HG23 THR 41 11.352 27.681 -6.092 319 H GLU 42 HN GLU 42 11.258 29.493 -1.373 320 HA GLU 42 HA GLU 42 8.614 30.626 -0.767 321 1HB GLU 42 HB2 GLU 42 8.521 28.140 -0.194 322 2HB GLU 42 HB1 GLU 42 9.643 28.487 1.078 323 1HG GLU 42 HG2 GLU 42 6.808 29.661 0.868 324 2HG GLU 42 HG1 GLU 42 7.189 28.323 1.915 325 H ARG 43 HN ARG 43 11.247 31.144 -1.225 326 HA ARG 43 HA ARG 43 12.807 31.876 1.004 327 1HB ARG 43 HB2 ARG 43 13.343 31.162 -1.219 328 2HB ARG 43 HB1 ARG 43 12.940 32.744 -1.852 329 1HG ARG 43 HG2 ARG 43 14.643 33.669 -0.167 330 2HG ARG 43 HG1 ARG 43 14.953 31.965 0.253 331 1HD ARG 43 HD2 ARG 43 15.600 31.536 -2.156 332 2HD ARG 43 HD1 ARG 43 15.269 33.225 -2.541 333 HE ARG 43 HE ARG 43 17.527 33.626 -1.779 334 1HH1 ARG 43 HH21 ARG 43 16.543 33.339 0.951 335 2HH1 ARG 43 HH22 ARG 43 17.593 32.095 1.599 336 1HH2 ARG 43 HH11 ARG 43 18.722 31.212 -1.498 337 2HH2 ARG 43 HH12 ARG 43 18.801 30.929 0.236 338 HA PRO 44 HA PRO 44 10.143 35.466 1.841 339 1HB PRO 44 HB2 PRO 44 11.631 36.221 4.116 340 2HB PRO 44 HB1 PRO 44 10.297 35.058 4.134 341 1HG PRO 44 HG2 PRO 44 13.281 34.534 3.813 342 2HG PRO 44 HG1 PRO 44 12.136 33.766 4.930 343 1HD PRO 44 HD2 PRO 44 12.780 32.511 2.752 344 2HD PRO 44 HD1 PRO 44 11.063 32.541 3.130 345 H GLY 45 HN GLY 45 10.432 37.713 1.539 346 1HA GLY 45 HA2 GLY 45 13.043 38.411 0.227 347 2HA GLY 45 HA1 GLY 45 11.522 39.251 -0.058 348 H MET 46 HN MET 46 13.727 40.669 0.510 349 HA MET 46 HA MET 46 14.880 41.486 2.640 350 1HB MET 46 HB2 MET 46 13.091 43.472 1.202 351 2HB MET 46 HB1 MET 46 14.628 43.792 1.976 352 1HG MET 46 HG2 MET 46 14.077 42.424 -0.648 353 2HG MET 46 HG1 MET 46 15.271 43.618 -0.264 354 1HE MET 46 HE1 MET 46 18.071 41.753 1.448 355 2HE MET 46 HE2 MET 46 17.004 43.120 1.608 356 3HE MET 46 HE3 MET 46 17.977 42.944 0.139 357 H LEU 47 HN LEU 47 11.423 41.758 2.742 358 HA LEU 47 HA LEU 47 11.251 43.422 5.059 359 1HB LEU 47 HB2 LEU 47 9.426 43.219 3.464 360 2HB LEU 47 HB1 LEU 47 9.353 41.483 3.712 361 HG LEU 47 HG LEU 47 8.559 41.783 6.017 362 1HD1 LEU 47 HD11 LEU 47 8.709 44.781 5.399 363 2HD1 LEU 47 HD12 LEU 47 9.758 43.945 6.540 364 3HD1 LEU 47 HD13 LEU 47 8.043 44.071 6.859 365 1HD2 LEU 47 HD21 LEU 47 6.375 42.799 5.435 366 2HD2 LEU 47 HD22 LEU 47 6.943 41.791 4.113 367 3HD2 LEU 47 HD23 LEU 47 7.083 43.535 4.011 368 H ASP 48 HN ASP 48 11.453 39.905 4.743 369 HA ASP 48 HA ASP 48 11.103 39.652 7.691 370 1HB ASP 48 HB2 ASP 48 9.675 38.071 6.601 371 2HB ASP 48 HB1 ASP 48 10.864 37.724 5.358 372 H PHE 49 HN PHE 49 12.491 38.165 8.910 373 HA PHE 49 HA PHE 49 15.245 37.984 7.830 374 1HB PHE 49 HB2 PHE 49 14.494 39.014 10.659 375 2HB PHE 49 HB1 PHE 49 16.068 39.085 9.881 376 HD1 PHE 49 HD1 PHE 49 16.057 40.399 7.524 377 HD2 PHE 49 HD2 PHE 49 13.119 40.961 10.561 378 HE1 PHE 49 HE1 PHE 49 15.435 42.573 6.541 379 HE2 PHE 49 HE2 PHE 49 12.510 43.122 9.569 380 HZ PHE 49 HZ PHE 49 13.656 43.927 7.562 381 H LYS 50 HN LYS 50 13.620 37.094 10.913 382 HA LYS 50 HA LYS 50 14.971 34.580 11.049 383 1HB LYS 50 HB2 LYS 50 12.358 35.512 12.328 384 2HB LYS 50 HB1 LYS 50 13.155 34.012 12.785 385 1HG LYS 50 HG2 LYS 50 15.329 35.600 13.021 386 2HG LYS 50 HG1 LYS 50 14.167 36.890 13.058 387 1HD LYS 50 HD2 LYS 50 14.563 36.379 15.374 388 2HD LYS 50 HD1 LYS 50 13.004 35.691 14.991 389 1HE LYS 50 HE2 LYS 50 14.327 34.110 16.358 390 2HE LYS 50 HE1 LYS 50 14.011 33.430 14.778 391 1HZ LYS 50 HZ1 LYS 50 16.512 33.823 15.950 392 2HZ LYS 50 HZ2 LYS 50 16.443 34.906 14.619 393 3HZ LYS 50 HZ3 LYS 50 16.160 33.203 14.510 394 H GLY 51 HN GLY 51 12.229 35.329 9.029 395 1HA GLY 51 HA2 GLY 51 11.212 32.614 8.699 396 2HA GLY 51 HA1 GLY 51 10.976 33.985 7.586 397 H LYS 52 HN LYS 52 13.383 34.712 7.040 398 HA LYS 52 HA LYS 52 14.334 32.985 4.961 399 1HB LYS 52 HB2 LYS 52 15.110 35.358 5.105 400 2HB LYS 52 HB1 LYS 52 16.049 34.995 6.547 401 1HG LYS 52 HG2 LYS 52 17.379 33.310 5.258 402 2HG LYS 52 HG1 LYS 52 16.396 33.600 3.840 403 1HD LYS 52 HD2 LYS 52 17.253 35.931 3.735 404 2HD LYS 52 HD1 LYS 52 18.183 35.657 5.203 405 1HE LYS 52 HE2 LYS 52 19.470 33.841 4.078 406 2HE LYS 52 HE1 LYS 52 18.570 34.100 2.595 407 1HZ LYS 52 HZ1 LYS 52 20.815 35.560 3.505 408 2HZ LYS 52 HZ2 LYS 52 19.437 36.563 3.565 409 3HZ LYS 52 HZ3 LYS 52 19.899 35.853 2.100 410 H ALA 53 HN ALA 53 15.153 33.053 8.376 411 HA ALA 53 HA ALA 53 17.320 31.116 8.139 412 1HB ALA 53 HB1 ALA 53 16.960 30.785 10.594 413 2HB ALA 53 HB2 ALA 53 15.406 31.604 10.506 414 3HB ALA 53 HB3 ALA 53 16.885 32.494 10.195 415 H LYS 54 HN LYS 54 13.882 30.620 9.173 416 HA LYS 54 HA LYS 54 13.842 27.827 9.001 417 1HB LYS 54 HB2 LYS 54 11.801 29.959 8.494 418 2HB LYS 54 HB1 LYS 54 11.346 28.329 8.092 419 1HG LYS 54 HG2 LYS 54 10.596 28.721 10.307 420 2HG LYS 54 HG1 LYS 54 11.953 27.629 10.417 421 1HD LYS 54 HD2 LYS 54 13.489 29.395 11.127 422 2HD LYS 54 HD1 LYS 54 12.319 30.641 10.796 423 1HE LYS 54 HE2 LYS 54 11.926 28.405 12.817 424 2HE LYS 54 HE1 LYS 54 12.497 30.025 13.233 425 1HZ LYS 54 HZ1 LYS 54 9.799 29.229 12.686 426 2HZ LYS 54 HZ2 LYS 54 10.336 30.320 11.496 427 3HZ LYS 54 HZ3 LYS 54 10.421 30.751 13.147 428 H TRP 55 HN TRP 55 13.385 30.022 6.261 429 HA TRP 55 HA TRP 55 12.821 28.017 4.436 430 1HB TRP 55 HB2 TRP 55 12.401 30.501 4.315 431 2HB TRP 55 HB1 TRP 55 14.081 30.708 3.873 432 HD1 TRP 55 HD1 TRP 55 10.821 29.087 2.663 433 HE1 TRP 55 HE1 TRP 55 11.265 28.460 0.201 434 HE3 TRP 55 HE3 TRP 55 15.724 30.127 2.252 435 HZ2 TRP 55 HZ2 TRP 55 13.302 28.449 -1.683 436 HZ3 TRP 55 HZ3 TRP 55 16.937 29.726 0.170 437 HH2 TRP 55 HH2 TRP 55 15.722 28.898 -1.844 438 H ASP 56 HN ASP 56 15.682 29.882 4.791 439 HA ASP 56 HA ASP 56 17.214 28.347 2.920 440 1HB ASP 56 HB2 ASP 56 17.855 30.246 5.174 441 2HB ASP 56 HB1 ASP 56 19.160 29.311 4.499 442 H ALA 57 HN ALA 57 16.678 27.986 6.401 443 HA ALA 57 HA ALA 57 18.394 25.872 6.917 444 1HB ALA 57 HB1 ALA 57 15.635 26.487 8.094 445 2HB ALA 57 HB2 ALA 57 17.174 27.141 8.654 446 3HB ALA 57 HB3 ALA 57 16.819 25.428 8.835 447 H TRP 58 HN TRP 58 15.174 25.970 5.436 448 HA TRP 58 HA TRP 58 14.975 23.002 5.314 449 1HB TRP 58 HB2 TRP 58 12.941 24.313 5.426 450 2HB TRP 58 HB1 TRP 58 13.414 25.264 4.052 451 HD1 TRP 58 HD1 TRP 58 14.219 21.465 3.440 452 HE1 TRP 58 HE1 TRP 58 12.337 20.816 1.763 453 HE3 TRP 58 HE3 TRP 58 11.052 25.447 3.652 454 HZ2 TRP 58 HZ2 TRP 58 9.964 21.654 0.673 455 HZ3 TRP 58 HZ3 TRP 58 8.983 25.504 2.323 456 HH2 TRP 58 HH2 TRP 58 8.442 23.630 0.807 457 H ASN 59 HN ASN 59 15.409 25.645 2.746 458 HA ASN 59 HA ASN 59 16.039 24.148 0.589 459 1HB ASN 59 HB2 ASN 59 15.870 26.630 0.795 460 2HB ASN 59 HB1 ASN 59 17.297 26.624 1.787 461 1HD2 ASN 59 HD21 ASN 59 18.601 27.833 0.706 462 2HD2 ASN 59 HD22 ASN 59 19.111 27.528 -0.910 463 H GLU 60 HN GLU 60 18.264 24.885 3.194 464 HA GLU 60 HA GLU 60 20.681 23.784 2.390 465 1HB GLU 60 HB2 GLU 60 19.446 24.120 5.162 466 2HB GLU 60 HB1 GLU 60 21.104 23.602 4.975 467 1HG GLU 60 HG2 GLU 60 21.778 25.712 3.966 468 2HG GLU 60 HG1 GLU 60 20.145 26.219 3.669 469 H LEU 61 HN LEU 61 17.869 22.241 3.491 470 HA LEU 61 HA LEU 61 19.002 19.526 3.831 471 1HB LEU 61 HB2 LEU 61 16.168 20.382 4.191 472 2HB LEU 61 HB1 LEU 61 16.836 18.812 4.577 473 HG LEU 61 HG LEU 61 17.662 21.403 5.923 474 1HD1 LEU 61 HD11 LEU 61 15.864 19.040 6.720 475 2HD1 LEU 61 HD12 LEU 61 15.270 20.625 6.236 476 3HD1 LEU 61 HD13 LEU 61 16.234 20.451 7.702 477 1HD2 LEU 61 HD21 LEU 61 18.707 19.830 7.531 478 2HD2 LEU 61 HD22 LEU 61 19.378 19.545 5.945 479 3HD2 LEU 61 HD23 LEU 61 18.176 18.435 6.597 480 H LYS 62 HN LYS 62 17.148 21.363 1.621 481 HA LYS 62 HA LYS 62 15.436 20.111 0.356 482 1HB LYS 62 HB2 LYS 62 16.580 22.190 -0.270 483 2HB LYS 62 HB1 LYS 62 17.949 21.297 -0.901 484 1HG LYS 62 HG2 LYS 62 16.236 20.340 -2.550 485 2HG LYS 62 HG1 LYS 62 15.037 21.441 -1.902 486 1HD LYS 62 HD2 LYS 62 15.851 22.698 -3.728 487 2HD LYS 62 HD1 LYS 62 16.840 23.302 -2.408 488 1HE LYS 62 HE2 LYS 62 18.299 22.725 -4.261 489 2HE LYS 62 HE1 LYS 62 18.597 21.639 -2.905 490 1HZ LYS 62 HZ1 LYS 62 17.807 20.904 -5.488 491 2HZ LYS 62 HZ2 LYS 62 16.454 20.658 -4.533 492 3HZ LYS 62 HZ3 LYS 62 17.892 19.866 -4.151 493 H GLY 63 HN GLY 63 18.479 18.270 -0.003 494 1HA GLY 63 HA2 GLY 63 16.843 16.537 -1.736 495 2HA GLY 63 HA1 GLY 63 18.584 16.742 -1.878 496 H THR 64 HN THR 64 18.034 16.734 1.297 497 HA THR 64 HA THR 64 19.276 14.209 1.908 498 HB THR 64 HB THR 64 17.207 15.520 3.778 499 HG1 THR 64 HG1 THR 64 18.756 16.934 3.070 500 1HG2 THR 64 HG21 THR 64 18.268 13.252 4.445 501 2HG2 THR 64 HG22 THR 64 18.697 14.603 5.473 502 3HG2 THR 64 HG23 THR 64 19.834 14.036 4.258 503 H SER 65 HN SER 65 18.158 11.946 2.625 504 HA SER 65 HA SER 65 15.886 11.623 0.945 505 1HB SER 65 HB2 SER 65 17.355 9.714 1.533 506 2HB SER 65 HB1 SER 65 16.886 9.854 3.229 507 HG SER 65 HG1 SER 65 15.537 8.669 1.291 508 H LYS 66 HN LYS 66 13.761 11.452 1.337 509 HA LYS 66 HA LYS 66 12.446 13.054 3.112 510 1HB LYS 66 HB2 LYS 66 10.483 11.458 2.610 511 2HB LYS 66 HB1 LYS 66 11.382 11.908 1.180 512 1HG LYS 66 HG2 LYS 66 12.781 9.722 1.493 513 2HG LYS 66 HG1 LYS 66 11.642 9.303 2.756 514 1HD LYS 66 HD2 LYS 66 9.778 9.166 1.216 515 2HD LYS 66 HD1 LYS 66 10.722 9.888 -0.070 516 1HE LYS 66 HE2 LYS 66 10.530 7.426 -0.411 517 2HE LYS 66 HE1 LYS 66 12.204 7.905 -0.193 518 1HZ LYS 66 HZ1 LYS 66 10.733 6.060 1.402 519 2HZ LYS 66 HZ2 LYS 66 11.055 7.397 2.337 520 3HZ LYS 66 HZ3 LYS 66 12.309 6.535 1.671 521 H GLU 67 HN GLU 67 13.592 9.819 3.423 522 HA GLU 67 HA GLU 67 12.589 9.071 5.915 523 1HB GLU 67 HB2 GLU 67 14.318 8.147 3.736 524 2HB GLU 67 HB1 GLU 67 14.882 7.505 5.210 525 1HG GLU 67 HG2 GLU 67 12.342 6.810 5.645 526 2HG GLU 67 HG1 GLU 67 12.023 7.386 4.032 527 H ASP 68 HN ASP 68 15.800 10.386 5.068 528 HA ASP 68 HA ASP 68 16.796 10.124 7.737 529 1HB ASP 68 HB2 ASP 68 17.461 11.559 5.170 530 2HB ASP 68 HB1 ASP 68 18.370 11.969 6.612 531 H ALA 69 HN ALA 69 15.268 12.571 5.933 532 HA ALA 69 HA ALA 69 15.172 14.611 7.981 533 1HB ALA 69 HB1 ALA 69 13.077 13.984 5.824 534 2HB ALA 69 HB2 ALA 69 14.530 14.906 5.559 535 3HB ALA 69 HB3 ALA 69 13.289 15.537 6.636 536 H MET 70 HN MET 70 12.605 12.148 7.121 537 HA MET 70 HA MET 70 10.959 12.464 9.252 538 1HB MET 70 HB2 MET 70 11.883 10.184 7.543 539 2HB MET 70 HB1 MET 70 10.806 9.812 8.830 540 1HG MET 70 HG2 MET 70 9.375 11.776 7.829 541 2HG MET 70 HG1 MET 70 10.421 11.708 6.463 542 1HE MET 70 HE1 MET 70 7.820 11.513 4.950 543 2HE MET 70 HE2 MET 70 7.569 11.942 6.645 544 3HE MET 70 HE3 MET 70 6.669 10.622 5.952 545 H LYS 71 HN LYS 71 13.528 10.170 9.163 546 HA LYS 71 HA LYS 71 13.438 9.206 11.786 547 1HB LYS 71 HB2 LYS 71 15.743 9.432 9.827 548 2HB LYS 71 HB1 LYS 71 15.967 8.654 11.378 549 1HG LYS 71 HG2 LYS 71 14.182 7.044 10.907 550 2HG LYS 71 HG1 LYS 71 13.835 7.814 9.372 551 1HD LYS 71 HD2 LYS 71 16.677 6.894 9.894 552 2HD LYS 71 HD1 LYS 71 15.513 5.640 9.557 553 1HE LYS 71 HE2 LYS 71 16.112 8.043 7.778 554 2HE LYS 71 HE1 LYS 71 16.655 6.396 7.495 555 1HZ LYS 71 HZ1 LYS 71 13.912 6.225 7.952 556 2HZ LYS 71 HZ2 LYS 71 14.613 6.020 6.428 557 3HZ LYS 71 HZ3 LYS 71 14.084 7.553 6.983 558 H ALA 72 HN ALA 72 15.842 11.688 10.635 559 HA ALA 72 HA ALA 72 16.875 12.317 13.096 560 1HB ALA 72 HB1 ALA 72 17.583 14.406 11.856 561 2HB ALA 72 HB2 ALA 72 16.430 14.001 10.589 562 3HB ALA 72 HB3 ALA 72 17.799 12.951 10.903 563 H TYR 73 HN TYR 73 14.089 13.726 11.403 564 HA TYR 73 HA TYR 73 13.449 15.820 13.183 565 1HB TYR 73 HB2 TYR 73 12.605 15.525 10.842 566 2HB TYR 73 HB1 TYR 73 11.787 14.062 11.307 567 HD1 TYR 73 HD1 TYR 73 9.757 14.184 12.816 568 HD2 TYR 73 HD2 TYR 73 11.697 17.647 11.284 569 HE1 TYR 73 HE1 TYR 73 7.791 15.578 13.381 570 HE2 TYR 73 HE2 TYR 73 9.779 18.988 11.838 571 HH TYR 73 HH TYR 73 7.692 18.982 12.562 572 H ILE 74 HN ILE 74 12.172 12.598 12.897 573 HA ILE 74 HA ILE 74 10.457 12.555 15.155 574 HB ILE 74 HB ILE 74 11.995 10.269 13.851 575 1HG1 ILE 74 HG12 ILE 74 8.996 10.733 13.620 576 2HG1 ILE 74 HG11 ILE 74 10.056 11.648 12.558 577 1HG2 ILE 74 HG21 ILE 74 11.341 9.652 16.172 578 2HG2 ILE 74 HG22 ILE 74 10.341 8.790 15.034 579 3HG2 ILE 74 HG23 ILE 74 9.698 10.199 15.885 580 1HD1 ILE 74 HD1 ILE 74 11.090 9.486 11.839 581 2HD1 ILE 74 HD2 ILE 74 9.378 9.557 11.474 582 3HD1 ILE 74 HD3 ILE 74 9.957 8.620 12.850 583 H ASP 75 HN ASP 75 13.829 11.307 15.045 584 HA ASP 75 HA ASP 75 13.904 10.681 17.787 585 1HB ASP 75 HB2 ASP 75 15.871 11.178 15.508 586 2HB ASP 75 HB1 ASP 75 16.448 10.758 17.109 587 H LYS 76 HN LYS 76 14.770 13.536 15.972 588 HA LYS 76 HA LYS 76 15.832 15.145 18.085 589 1HB LYS 76 HB2 LYS 76 15.228 15.684 15.457 590 2HB LYS 76 HB1 LYS 76 13.880 16.476 16.184 591 1HG LYS 76 HG2 LYS 76 15.549 18.172 16.154 592 2HG LYS 76 HG1 LYS 76 15.642 17.576 17.797 593 1HD LYS 76 HD2 LYS 76 17.638 16.254 17.347 594 2HD LYS 76 HD1 LYS 76 17.385 16.287 15.627 595 1HE LYS 76 HE2 LYS 76 19.133 17.818 15.918 596 2HE LYS 76 HE1 LYS 76 17.716 18.840 15.808 597 1HZ LYS 76 HZ1 LYS 76 19.530 18.716 17.932 598 2HZ LYS 76 HZ2 LYS 76 18.101 18.028 18.500 599 3HZ LYS 76 HZ3 LYS 76 18.081 19.599 17.869 600 H VAL 77 HN VAL 77 12.363 14.724 16.984 601 HA VAL 77 HA VAL 77 11.306 16.232 19.140 602 HB VAL 77 HB VAL 77 10.103 13.767 17.726 603 1HG1 VAL 77 HG11 VAL 77 7.977 14.682 18.613 604 2HG1 VAL 77 HG12 VAL 77 8.832 15.986 19.411 605 3HG1 VAL 77 HG13 VAL 77 9.057 14.328 19.944 606 1HG2 VAL 77 HG21 VAL 77 9.766 16.769 17.234 607 2HG2 VAL 77 HG22 VAL 77 8.831 15.526 16.459 608 3HG2 VAL 77 HG23 VAL 77 10.559 15.643 16.155 609 H GLU 78 HN GLU 78 11.983 12.698 18.931 610 HA GLU 78 HA GLU 78 11.227 11.921 21.533 611 1HB GLU 78 HB2 GLU 78 13.629 11.054 19.862 612 2HB GLU 78 HB1 GLU 78 13.624 10.579 21.522 613 1HG GLU 78 HG2 GLU 78 11.451 9.845 19.482 614 2HG GLU 78 HG1 GLU 78 12.622 8.762 20.213 615 H GLU 79 HN GLU 79 14.284 13.673 20.673 616 HA GLU 79 HA GLU 79 15.325 13.949 23.312 617 1HB GLU 79 HB2 GLU 79 15.650 16.031 21.026 618 2HB GLU 79 HB1 GLU 79 16.685 15.840 22.416 619 1HG GLU 79 HG2 GLU 79 17.561 13.709 21.541 620 2HG GLU 79 HG1 GLU 79 16.451 13.783 20.184 621 H LEU 80 HN LEU 80 13.779 16.322 21.340 622 HA LEU 80 HA LEU 80 13.348 18.363 23.248 623 1HB LEU 80 HB2 LEU 80 11.565 17.657 20.880 624 2HB LEU 80 HB1 LEU 80 11.706 19.235 21.645 625 HG LEU 80 HG LEU 80 14.000 17.783 20.253 626 1HD1 LEU 80 HD11 LEU 80 12.290 18.642 18.717 627 2HD1 LEU 80 HD12 LEU 80 13.787 19.548 18.602 628 3HD1 LEU 80 HD13 LEU 80 12.418 20.226 19.469 629 1HD2 LEU 80 HD21 LEU 80 15.194 19.857 20.589 630 2HD2 LEU 80 HD22 LEU 80 14.787 19.202 22.146 631 3HD2 LEU 80 HD23 LEU 80 13.860 20.560 21.489 632 H LYS 81 HN LYS 81 11.595 15.577 22.669 633 HA LYS 81 HA LYS 81 9.230 16.236 24.182 634 1HB LYS 81 HB2 LYS 81 8.997 14.586 22.646 635 2HB LYS 81 HB1 LYS 81 10.543 13.835 22.943 636 1HG LYS 81 HG2 LYS 81 9.811 12.861 25.050 637 2HG LYS 81 HG1 LYS 81 8.248 13.646 24.933 638 1HD LYS 81 HD2 LYS 81 9.449 11.658 22.891 639 2HD LYS 81 HD1 LYS 81 8.287 11.182 24.102 640 1HE LYS 81 HE2 LYS 81 7.784 13.251 21.902 641 2HE LYS 81 HE1 LYS 81 7.210 11.606 21.921 642 1HZ LYS 81 HZ1 LYS 81 6.020 13.823 23.208 643 2HZ LYS 81 HZ2 LYS 81 6.513 12.713 24.424 644 3HZ LYS 81 HZ3 LYS 81 5.529 12.270 23.077 645 H LYS 82 HN LYS 82 12.072 14.377 24.787 646 HA LYS 82 HA LYS 82 11.511 13.855 27.639 647 1HB LYS 82 HB2 LYS 82 14.294 14.097 26.384 648 2HB LYS 82 HB1 LYS 82 13.950 13.361 27.931 649 1HG LYS 82 HG2 LYS 82 13.068 12.347 25.231 650 2HG LYS 82 HG1 LYS 82 14.398 11.691 26.145 651 1HD LYS 82 HD2 LYS 82 12.588 11.229 28.007 652 2HD LYS 82 HD1 LYS 82 11.417 11.498 26.736 653 1HE LYS 82 HE2 LYS 82 13.555 9.340 26.874 654 2HE LYS 82 HE1 LYS 82 11.821 9.096 26.795 655 1HZ LYS 82 HZ1 LYS 82 11.930 9.184 24.457 656 2HZ LYS 82 HZ2 LYS 82 13.595 9.241 24.590 657 3HZ LYS 82 HZ3 LYS 82 12.647 10.644 24.545 658 H LYS 83 HN LYS 83 13.451 16.246 26.035 659 HA LYS 83 HA LYS 83 14.393 17.833 28.129 660 1HB LYS 83 HB2 LYS 83 15.054 17.555 25.719 661 2HB LYS 83 HB1 LYS 83 13.754 18.601 25.325 662 1HG LYS 83 HG2 LYS 83 14.835 20.387 26.850 663 2HG LYS 83 HG1 LYS 83 16.271 19.363 26.816 664 1HD LYS 83 HD2 LYS 83 16.259 19.323 24.347 665 2HD LYS 83 HD1 LYS 83 14.752 20.220 24.317 666 1HE LYS 83 HE2 LYS 83 16.159 22.019 25.699 667 2HE LYS 83 HE1 LYS 83 17.536 21.189 24.977 668 1HZ LYS 83 HZ1 LYS 83 15.628 21.498 22.958 669 2HZ LYS 83 HZ2 LYS 83 17.058 22.235 22.987 670 3HZ LYS 83 HZ3 LYS 83 15.744 22.997 23.760 671 H TYR 84 HN TYR 84 11.809 18.521 26.064 672 HA TYR 84 HA TYR 84 10.905 20.829 27.704 673 1HB TYR 84 HB2 TYR 84 10.333 20.057 24.797 674 2HB TYR 84 HB1 TYR 84 9.540 21.388 25.582 675 HD1 TYR 84 HD1 TYR 84 11.599 22.705 27.126 676 HD2 TYR 84 HD2 TYR 84 11.901 20.919 23.271 677 HE1 TYR 84 HE1 TYR 84 13.460 24.194 26.570 678 HE2 TYR 84 HE2 TYR 84 13.753 22.424 22.735 679 HH TYR 84 HH TYR 84 14.444 25.112 24.734 680 H GLY 85 HN GLY 85 9.541 17.819 26.435 681 1HA GLY 85 HA2 GLY 85 7.631 16.681 27.214 682 2HA GLY 85 HA1 GLY 85 7.529 17.841 28.519 683 H ILE 86 HN ILE 86 5.600 16.592 27.228 684 HA ILE 86 HA ILE 86 3.865 18.694 25.980 685 HB ILE 86 HB ILE 86 4.480 16.911 24.424 686 1HG1 ILE 86 HG12 ILE 86 1.646 16.318 25.316 687 2HG1 ILE 86 HG11 ILE 86 2.083 17.754 24.418 688 1HG2 ILE 86 HG21 ILE 86 5.042 15.112 26.058 689 2HG2 ILE 86 HG22 ILE 86 3.902 14.524 24.863 690 3HG2 ILE 86 HG23 ILE 86 3.338 14.977 26.464 691 1HD1 ILE 86 HD1 ILE 86 2.438 14.852 23.473 692 2HD1 ILE 86 HD2 ILE 86 2.990 16.252 22.577 693 3HD1 ILE 86 HD3 ILE 86 1.274 16.015 22.872 Start of MODEL 6 1 1H SER 1 HT1 SER 1 -1.994 10.793 15.036 2 2H SER 1 HT2 SER 1 -1.342 11.878 13.959 3 3H SER 1 HT3 SER 1 -0.551 10.448 14.226 4 HA SER 1 HA SER 1 -3.243 9.931 13.391 5 1HB SER 1 HB2 SER 1 -3.100 12.236 12.391 6 2HB SER 1 HB1 SER 1 -1.682 11.734 11.455 7 HG SER 1 HG1 SER 1 -3.110 10.773 10.159 8 H GLN 2 HN GLN 2 -0.188 10.175 11.409 9 HA GLN 2 HA GLN 2 -0.472 7.190 11.099 10 1HB GLN 2 HB2 GLN 2 0.498 7.413 8.881 11 2HB GLN 2 HB1 GLN 2 -0.681 8.680 9.007 12 1HG GLN 2 HG2 GLN 2 0.952 10.418 9.142 13 2HG GLN 2 HG1 GLN 2 2.240 9.365 9.638 14 1HE2 GLN 2 HE21 GLN 2 2.703 11.078 7.569 15 2HE2 GLN 2 HE22 GLN 2 2.754 10.212 6.079 16 H ALA 3 HN ALA 3 2.271 7.394 9.869 17 HA ALA 3 HA ALA 3 3.904 6.192 11.665 18 1HB ALA 3 HB1 ALA 3 5.796 7.108 10.285 19 2HB ALA 3 HB2 ALA 3 4.681 8.286 9.605 20 3HB ALA 3 HB3 ALA 3 4.449 6.576 9.301 21 H GLU 4 HN GLU 4 5.870 6.784 12.765 22 HA GLU 4 HA GLU 4 5.416 8.523 14.935 23 1HB GLU 4 HB2 GLU 4 8.084 7.567 13.926 24 2HB GLU 4 HB1 GLU 4 7.695 8.013 15.569 25 1HG GLU 4 HG2 GLU 4 6.388 5.595 14.154 26 2HG GLU 4 HG1 GLU 4 7.577 5.514 15.426 27 H PHE 5 HN PHE 5 6.327 9.353 11.854 28 HA PHE 5 HA PHE 5 7.925 11.747 12.534 29 1HB PHE 5 HB2 PHE 5 8.318 10.698 10.350 30 2HB PHE 5 HB1 PHE 5 6.575 10.770 10.061 31 HD1 PHE 5 HD1 PHE 5 5.722 12.508 8.818 32 HD2 PHE 5 HD2 PHE 5 9.424 13.117 10.810 33 HE1 PHE 5 HE1 PHE 5 5.835 14.709 7.871 34 HE2 PHE 5 HE2 PHE 5 9.576 15.381 9.802 35 HZ PHE 5 HZ PHE 5 7.748 16.155 8.329 36 H ASP 6 HN ASP 6 4.692 11.326 11.069 37 HA ASP 6 HA ASP 6 3.874 13.994 11.312 38 1HB ASP 6 HB2 ASP 6 2.350 11.334 11.437 39 2HB ASP 6 HB1 ASP 6 1.682 12.906 11.022 40 H LYS 7 HN LYS 7 3.484 11.121 13.326 41 HA LYS 7 HA LYS 7 2.271 12.310 15.569 42 1HB LYS 7 HB2 LYS 7 2.678 9.954 15.133 43 2HB LYS 7 HB1 LYS 7 4.395 10.205 15.284 44 1HG LYS 7 HG2 LYS 7 4.204 10.621 17.702 45 2HG LYS 7 HG1 LYS 7 2.444 10.600 17.610 46 1HD LYS 7 HD2 LYS 7 2.504 8.299 16.678 47 2HD LYS 7 HD1 LYS 7 4.249 8.360 16.593 48 1HE LYS 7 HE2 LYS 7 4.463 8.295 18.974 49 2HE LYS 7 HE1 LYS 7 2.698 8.253 19.168 50 1HZ LYS 7 HZ1 LYS 7 3.460 6.443 17.129 51 2HZ LYS 7 HZ2 LYS 7 2.803 5.980 18.650 52 3HZ LYS 7 HZ3 LYS 7 4.483 6.136 18.354 53 H ALA 8 HN ALA 8 5.907 12.041 14.958 54 HA ALA 8 HA ALA 8 6.630 13.514 17.217 55 1HB ALA 8 HB1 ALA 8 8.154 12.315 15.658 56 2HB ALA 8 HB2 ALA 8 8.749 13.945 15.807 57 3HB ALA 8 HB3 ALA 8 7.832 13.472 14.390 58 H ALA 9 HN ALA 9 5.819 14.651 14.158 59 HA ALA 9 HA ALA 9 6.034 17.523 14.693 60 1HB ALA 9 HB1 ALA 9 5.932 16.609 12.393 61 2HB ALA 9 HB2 ALA 9 4.721 17.864 12.567 62 3HB ALA 9 HB3 ALA 9 4.254 16.164 12.628 63 H GLU 10 HN GLU 10 3.177 15.299 15.158 64 HA GLU 10 HA GLU 10 1.228 17.266 15.682 65 1HB GLU 10 HB2 GLU 10 1.579 14.317 16.522 66 2HB GLU 10 HB1 GLU 10 0.086 15.188 16.672 67 1HG GLU 10 HG2 GLU 10 -0.297 15.198 14.312 68 2HG GLU 10 HG1 GLU 10 1.359 14.862 13.901 69 H GLU 11 HN GLU 11 3.399 15.294 17.532 70 HA GLU 11 HA GLU 11 2.778 16.146 20.120 71 1HB GLU 11 HB2 GLU 11 4.810 14.650 18.576 72 2HB GLU 11 HB1 GLU 11 5.438 15.206 20.066 73 1HG GLU 11 HG2 GLU 11 4.473 12.905 20.224 74 2HG GLU 11 HG1 GLU 11 3.449 13.986 21.204 75 H VAL 12 HN VAL 12 5.469 17.130 18.045 76 HA VAL 12 HA VAL 12 6.625 19.011 19.779 77 HB VAL 12 HB VAL 12 7.138 18.084 17.257 78 1HG1 VAL 12 HG11 VAL 12 5.665 19.705 16.073 79 2HG1 VAL 12 HG12 VAL 12 7.347 19.934 15.690 80 3HG1 VAL 12 HG13 VAL 12 6.558 21.044 16.796 81 1HG2 VAL 12 HG21 VAL 12 9.100 19.644 17.341 82 2HG2 VAL 12 HG22 VAL 12 8.793 18.870 18.881 83 3HG2 VAL 12 HG23 VAL 12 8.302 20.543 18.616 84 H LYS 13 HN LYS 13 4.104 19.512 17.316 85 HA LYS 13 HA LYS 13 3.771 22.302 17.877 86 1HB LYS 13 HB2 LYS 13 1.862 20.176 16.862 87 2HB LYS 13 HB1 LYS 13 1.394 21.874 16.939 88 1HG LYS 13 HG2 LYS 13 3.531 22.411 15.595 89 2HG LYS 13 HG1 LYS 13 3.755 20.697 15.365 90 1HD LYS 13 HD2 LYS 13 1.239 22.235 14.551 91 2HD LYS 13 HD1 LYS 13 2.547 21.940 13.434 92 1HE LYS 13 HE2 LYS 13 0.915 19.790 14.861 93 2HE LYS 13 HE1 LYS 13 0.654 20.290 13.198 94 1HZ LYS 13 HZ1 LYS 13 2.529 18.457 14.224 95 2HZ LYS 13 HZ2 LYS 13 3.394 19.728 13.601 96 3HZ LYS 13 HZ3 LYS 13 2.330 18.822 12.571 97 H HIS 14 HN HIS 14 3.369 19.980 20.069 98 HA HIS 14 HA HIS 14 1.521 21.515 21.826 99 1HB HIS 14 HB2 HIS 14 1.751 18.481 21.522 100 2HB HIS 14 HB1 HIS 14 0.937 19.237 22.871 101 HD1 HIS 14 HD1 HIS 14 0.509 18.473 19.353 102 HD2 HIS 14 HD2 HIS 14 -1.484 20.547 22.249 103 HE1 HIS 14 HE1 HIS 14 -1.819 18.910 18.479 104 H LEU 15 HN LEU 15 4.676 21.115 21.500 105 HA LEU 15 HA LEU 15 5.607 19.726 23.739 106 1HB LEU 15 HB2 LEU 15 6.584 22.334 22.549 107 2HB LEU 15 HB1 LEU 15 7.455 21.573 23.846 108 HG LEU 15 HG LEU 15 6.843 20.251 21.220 109 1HD1 LEU 15 HD11 LEU 15 9.255 20.672 20.783 110 2HD1 LEU 15 HD12 LEU 15 9.367 21.554 22.304 111 3HD1 LEU 15 HD13 LEU 15 8.349 22.160 21.000 112 1HD2 LEU 15 HD21 LEU 15 8.697 19.484 23.534 113 2HD2 LEU 15 HD22 LEU 15 8.593 18.592 22.023 114 3HD2 LEU 15 HD23 LEU 15 7.235 18.617 23.122 115 H LYS 16 HN LYS 16 5.479 19.813 25.749 116 HA LYS 16 HA LYS 16 3.817 21.329 27.328 117 1HB LYS 16 HB2 LYS 16 5.941 19.465 27.717 118 2HB LYS 16 HB1 LYS 16 6.356 20.764 28.788 119 1HG LYS 16 HG2 LYS 16 3.722 19.204 28.640 120 2HG LYS 16 HG1 LYS 16 4.913 19.030 29.896 121 1HD LYS 16 HD2 LYS 16 3.221 21.544 29.347 122 2HD LYS 16 HD1 LYS 16 3.007 20.416 30.667 123 1HE LYS 16 HE2 LYS 16 5.348 21.035 31.465 124 2HE LYS 16 HE1 LYS 16 5.360 22.275 30.214 125 1HZ LYS 16 HZ1 LYS 16 4.076 22.394 32.764 126 2HZ LYS 16 HZ2 LYS 16 2.901 22.445 31.540 127 3HZ LYS 16 HZ3 LYS 16 4.147 23.600 31.570 128 H THR 17 HN THR 17 6.816 22.109 26.210 129 HA THR 17 HA THR 17 6.710 24.959 27.217 130 HB THR 17 HB THR 17 9.266 23.324 26.865 131 HG1 THR 17 HG1 THR 17 8.939 23.966 29.295 132 1HG2 THR 17 HG21 THR 17 8.777 25.943 28.389 133 2HG2 THR 17 HG22 THR 17 9.704 25.855 26.882 134 3HG2 THR 17 HG23 THR 17 10.285 25.038 28.291 135 H LYS 18 HN LYS 18 8.159 26.434 26.107 136 HA LYS 18 HA LYS 18 7.758 26.368 23.194 137 1HB LYS 18 HB2 LYS 18 7.789 28.805 23.385 138 2HB LYS 18 HB1 LYS 18 6.672 28.141 24.532 139 1HG LYS 18 HG2 LYS 18 7.673 29.343 26.156 140 2HG LYS 18 HG1 LYS 18 9.070 28.299 26.024 141 1HD LYS 18 HD2 LYS 18 9.747 29.889 23.980 142 2HD LYS 18 HD1 LYS 18 8.542 30.970 24.629 143 1HE LYS 18 HE2 LYS 18 10.706 31.617 25.514 144 2HE LYS 18 HE1 LYS 18 9.766 30.947 26.843 145 1HZ LYS 18 HZ1 LYS 18 11.037 28.852 25.427 146 2HZ LYS 18 HZ2 LYS 18 11.292 29.251 27.042 147 3HZ LYS 18 HZ3 LYS 18 12.234 29.984 25.829 148 HA PRO 19 HA PRO 19 12.310 25.407 23.529 149 1HB PRO 19 HB2 PRO 19 12.566 24.216 21.088 150 2HB PRO 19 HB1 PRO 19 11.817 23.453 22.486 151 1HG PRO 19 HG2 PRO 19 10.376 25.108 20.329 152 2HG PRO 19 HG1 PRO 19 10.121 23.398 20.685 153 1HD PRO 19 HD2 PRO 19 8.557 25.178 21.876 154 2HD PRO 19 HD1 PRO 19 9.264 23.937 22.935 155 H ALA 20 HN ALA 20 13.932 25.588 21.433 156 HA ALA 20 HA ALA 20 14.190 28.515 20.967 157 1HB ALA 20 HB1 ALA 20 16.216 26.257 20.766 158 2HB ALA 20 HB2 ALA 20 16.008 27.351 22.120 159 3HB ALA 20 HB3 ALA 20 16.597 27.957 20.581 160 H ASP 21 HN ASP 21 14.767 29.478 19.147 161 HA ASP 21 HA ASP 21 13.449 29.052 16.783 162 1HB ASP 21 HB2 ASP 21 14.620 31.105 17.562 163 2HB ASP 21 HB1 ASP 21 16.167 30.367 17.249 164 H GLU 22 HN GLU 22 16.963 28.256 17.113 165 HA GLU 22 HA GLU 22 17.299 26.983 14.708 166 1HB GLU 22 HB2 GLU 22 18.570 26.286 17.452 167 2HB GLU 22 HB1 GLU 22 19.328 26.011 15.897 168 1HG GLU 22 HG2 GLU 22 19.294 28.535 15.486 169 2HG GLU 22 HG1 GLU 22 18.697 28.789 17.107 170 H GLU 23 HN GLU 23 15.811 25.620 17.549 171 HA GLU 23 HA GLU 23 15.753 22.907 16.407 172 1HB GLU 23 HB2 GLU 23 15.109 24.208 18.922 173 2HB GLU 23 HB1 GLU 23 13.684 23.332 18.401 174 1HG GLU 23 HG2 GLU 23 15.128 21.973 19.761 175 2HG GLU 23 HG1 GLU 23 15.099 21.246 18.153 176 H MET 24 HN MET 24 13.465 25.418 16.977 177 HA MET 24 HA MET 24 11.196 24.326 15.582 178 1HB MET 24 HB2 MET 24 12.178 27.220 15.714 179 2HB MET 24 HB1 MET 24 10.669 26.815 14.912 180 1HG MET 24 HG2 MET 24 9.937 25.638 17.019 181 2HG MET 24 HG1 MET 24 11.348 26.243 17.822 182 1HE MET 24 HE1 MET 24 10.062 29.171 19.533 183 2HE MET 24 HE2 MET 24 11.493 28.262 19.077 184 3HE MET 24 HE3 MET 24 10.123 27.446 19.855 185 H LEU 25 HN LEU 25 14.076 25.958 14.308 186 HA LEU 25 HA LEU 25 13.471 25.723 11.551 187 1HB LEU 25 HB2 LEU 25 16.032 26.087 13.179 188 2HB LEU 25 HB1 LEU 25 16.031 26.095 11.473 189 HG LEU 25 HG LEU 25 14.582 28.148 13.244 190 1HD1 LEU 25 HD11 LEU 25 17.086 28.314 13.059 191 2HD1 LEU 25 HD12 LEU 25 16.273 29.629 12.252 192 3HD1 LEU 25 HD13 LEU 25 16.952 28.299 11.311 193 1HD2 LEU 25 HD21 LEU 25 14.926 28.089 10.253 194 2HD2 LEU 25 HD22 LEU 25 14.080 29.304 11.215 195 3HD2 LEU 25 HD23 LEU 25 13.432 27.669 11.075 196 H PHE 26 HN PHE 26 15.391 23.670 13.765 197 HA PHE 26 HA PHE 26 16.232 21.718 11.854 198 1HB PHE 26 HB2 PHE 26 16.910 21.843 14.346 199 2HB PHE 26 HB1 PHE 26 15.377 21.106 14.752 200 HD1 PHE 26 HD1 PHE 26 18.693 20.518 13.364 201 HD2 PHE 26 HD2 PHE 26 14.860 18.780 13.925 202 HE1 PHE 26 HE1 PHE 26 19.625 18.304 12.855 203 HE2 PHE 26 HE2 PHE 26 15.786 16.572 13.420 204 HZ PHE 26 HZ PHE 26 18.152 16.317 12.882 205 H ILE 27 HN ILE 27 13.434 21.659 13.989 206 HA ILE 27 HA ILE 27 12.019 19.444 12.905 207 HB ILE 27 HB ILE 27 11.209 22.008 14.343 208 1HG1 ILE 27 HG12 ILE 27 10.705 20.649 16.268 209 2HG1 ILE 27 HG11 ILE 27 10.806 19.142 15.373 210 1HG2 ILE 27 HG21 ILE 27 9.304 19.704 13.763 211 2HG2 ILE 27 HG22 ILE 27 9.187 21.248 12.925 212 3HG2 ILE 27 HG23 ILE 27 8.910 21.149 14.642 213 1HD1 ILE 27 HD1 ILE 27 13.269 19.562 15.081 214 2HD1 ILE 27 HD2 ILE 27 12.808 19.448 16.759 215 3HD1 ILE 27 HD3 ILE 27 13.110 21.018 16.045 216 H TYR 28 HN TYR 28 10.816 22.646 12.525 217 HA TYR 28 HA TYR 28 9.364 22.731 10.269 218 1HB TYR 28 HB2 TYR 28 10.157 24.796 11.431 219 2HB TYR 28 HB1 TYR 28 11.683 24.680 10.559 220 HD1 TYR 28 HD1 TYR 28 11.800 25.218 8.150 221 HD2 TYR 28 HD2 TYR 28 8.045 25.119 10.205 222 HE1 TYR 28 HE1 TYR 28 10.706 26.187 6.212 223 HE2 TYR 28 HE2 TYR 28 6.969 26.109 8.221 224 HH TYR 28 HH TYR 28 8.829 26.946 5.378 225 H SER 29 HN SER 29 13.010 22.908 9.708 226 HA SER 29 HA SER 29 12.929 22.698 6.979 227 1HB SER 29 HB2 SER 29 15.398 22.246 7.425 228 2HB SER 29 HB1 SER 29 14.830 23.488 8.526 229 HG SER 29 HG1 SER 29 14.771 22.033 10.122 230 H HIS 30 HN HIS 30 13.581 20.239 9.392 231 HA HIS 30 HA HIS 30 13.706 18.044 7.526 232 1HB HIS 30 HB2 HIS 30 13.295 18.268 10.545 233 2HB HIS 30 HB1 HIS 30 13.484 16.720 9.713 234 HD1 HIS 30 HD1 HIS 30 15.465 19.953 9.842 235 HD2 HIS 30 HD2 HIS 30 16.008 15.906 9.648 236 HE1 HIS 30 HE1 HIS 30 17.911 19.564 9.917 237 H TYR 31 HN TYR 31 11.101 19.693 9.065 238 HA TYR 31 HA TYR 31 9.152 17.586 8.589 239 1HB TYR 31 HB2 TYR 31 8.709 19.612 10.182 240 2HB TYR 31 HB1 TYR 31 8.479 20.587 8.750 241 HD1 TYR 31 HD1 TYR 31 7.251 17.529 10.514 242 HD2 TYR 31 HD2 TYR 31 6.479 20.387 7.438 243 HE1 TYR 31 HE1 TYR 31 5.006 16.593 10.232 244 HE2 TYR 31 HE2 TYR 31 4.197 19.406 7.181 245 HH TYR 31 HH TYR 31 3.167 16.542 8.881 246 H LYS 32 HN LYS 32 10.083 20.560 6.933 247 HA LYS 32 HA LYS 32 8.272 20.044 4.675 248 1HB LYS 32 HB2 LYS 32 10.859 21.682 4.581 249 2HB LYS 32 HB1 LYS 32 9.594 21.658 3.381 250 1HG LYS 32 HG2 LYS 32 9.466 22.865 6.123 251 2HG LYS 32 HG1 LYS 32 9.272 23.597 4.590 252 1HD LYS 32 HD2 LYS 32 7.164 22.383 4.086 253 2HD LYS 32 HD1 LYS 32 7.226 21.660 5.691 254 1HE LYS 32 HE2 LYS 32 7.297 23.897 6.719 255 2HE LYS 32 HE1 LYS 32 7.221 24.613 5.114 256 1HZ LYS 32 HZ1 LYS 32 5.053 23.705 6.722 257 2HZ LYS 32 HZ2 LYS 32 5.071 22.809 5.293 258 3HZ LYS 32 HZ3 LYS 32 5.014 24.501 5.229 259 H GLN 33 HN GLN 33 11.770 19.284 5.104 260 HA GLN 33 HA GLN 33 11.937 18.001 2.485 261 1HB GLN 33 HB2 GLN 33 13.963 18.554 3.804 262 2HB GLN 33 HB1 GLN 33 13.526 17.336 5.000 263 1HG GLN 33 HG2 GLN 33 15.188 16.459 3.316 264 2HG GLN 33 HG1 GLN 33 13.712 15.546 3.201 265 1HE2 GLN 33 HE21 GLN 33 15.618 18.105 1.525 266 2HE2 GLN 33 HE22 GLN 33 14.771 17.799 0.060 267 H ALA 34 HN ALA 34 11.126 16.620 5.732 268 HA ALA 34 HA ALA 34 10.809 13.930 4.904 269 1HB ALA 34 HB1 ALA 34 10.936 14.705 7.250 270 2HB ALA 34 HB2 ALA 34 9.460 13.784 7.008 271 3HB ALA 34 HB3 ALA 34 9.417 15.539 7.035 272 H THR 35 HN THR 35 8.520 16.614 4.799 273 HA THR 35 HA THR 35 6.446 14.881 3.516 274 HB THR 35 HB THR 35 4.786 16.692 3.992 275 HG1 THR 35 HG1 THR 35 6.972 17.910 5.249 276 1HG2 THR 35 HG21 THR 35 6.670 16.334 6.386 277 2HG2 THR 35 HG22 THR 35 5.466 15.152 5.893 278 3HG2 THR 35 HG23 THR 35 4.957 16.752 6.397 279 H VAL 36 HN VAL 36 7.577 18.052 2.972 280 HA VAL 36 HA VAL 36 6.285 18.289 0.319 281 HB VAL 36 HB VAL 36 8.266 20.171 1.711 282 1HG1 VAL 36 HG11 VAL 36 7.394 21.917 0.105 283 2HG1 VAL 36 HG12 VAL 36 6.411 20.690 -0.668 284 3HG1 VAL 36 HG13 VAL 36 8.161 20.609 -0.780 285 1HG2 VAL 36 HG21 VAL 36 5.217 20.253 1.559 286 2HG2 VAL 36 HG22 VAL 36 6.208 21.496 2.297 287 3HG2 VAL 36 HG23 VAL 36 6.156 19.890 3.005 288 H GLY 37 HN GLY 37 9.593 18.200 1.368 289 1HA GLY 37 HA2 GLY 37 11.132 16.679 0.025 290 2HA GLY 37 HA1 GLY 37 10.508 17.481 -1.411 291 H ASP 38 HN ASP 38 12.659 18.162 -2.095 292 HA ASP 38 HA ASP 38 14.252 19.730 -0.328 293 1HB ASP 38 HB2 ASP 38 14.330 19.474 -3.398 294 2HB ASP 38 HB1 ASP 38 15.654 19.712 -2.272 295 H ILE 39 HN ILE 39 14.387 21.887 -0.318 296 HA ILE 39 HA ILE 39 12.102 23.504 -0.622 297 HB ILE 39 HB ILE 39 14.206 23.739 0.707 298 1HG1 ILE 39 HG12 ILE 39 13.203 26.201 -0.723 299 2HG1 ILE 39 HG11 ILE 39 12.199 25.263 0.330 300 1HG2 ILE 39 HG21 ILE 39 16.037 25.135 -0.350 301 2HG2 ILE 39 HG22 ILE 39 15.255 25.044 -1.876 302 3HG2 ILE 39 HG23 ILE 39 15.894 23.573 -1.145 303 1HD1 ILE 39 HD1 ILE 39 13.944 25.455 2.155 304 2HD1 ILE 39 HD2 ILE 39 13.347 27.017 1.694 305 3HD1 ILE 39 HD3 ILE 39 14.913 26.485 1.121 306 H ASN 40 HN ASN 40 10.969 23.635 -2.379 307 HA ASN 40 HA ASN 40 12.269 24.728 -4.876 308 1HB ASN 40 HB2 ASN 40 10.762 23.229 -6.190 309 2HB ASN 40 HB1 ASN 40 11.743 22.272 -5.092 310 1HD2 ASN 40 HD21 ASN 40 10.628 21.257 -3.229 311 2HD2 ASN 40 HD22 ASN 40 8.927 21.132 -3.295 312 H THR 41 HN THR 41 10.937 25.743 -2.532 313 HA THR 41 HA THR 41 8.714 27.303 -3.717 314 HB THR 41 HB THR 41 7.854 27.384 -1.322 315 HG1 THR 41 HG1 THR 41 9.719 27.076 -0.220 316 1HG2 THR 41 HG21 THR 41 7.288 25.252 -2.780 317 2HG2 THR 41 HG22 THR 41 7.392 24.953 -1.045 318 3HG2 THR 41 HG23 THR 41 8.725 24.515 -2.089 319 H GLU 42 HN GLU 42 8.901 29.367 -3.762 320 HA GLU 42 HA GLU 42 10.776 31.067 -3.830 321 1HB GLU 42 HB2 GLU 42 8.291 31.565 -2.329 322 2HB GLU 42 HB1 GLU 42 9.401 32.760 -2.989 323 1HG GLU 42 HG2 GLU 42 8.945 32.161 -5.310 324 2HG GLU 42 HG1 GLU 42 8.186 30.638 -4.915 325 H ARG 43 HN ARG 43 12.640 31.122 -2.693 326 HA ARG 43 HA ARG 43 13.033 31.437 0.103 327 1HB ARG 43 HB2 ARG 43 14.820 30.855 -1.475 328 2HB ARG 43 HB1 ARG 43 14.599 32.367 -2.312 329 1HG ARG 43 HG2 ARG 43 15.321 33.648 -0.340 330 2HG ARG 43 HG1 ARG 43 15.405 32.153 0.602 331 1HD ARG 43 HD2 ARG 43 17.102 31.287 -0.993 332 2HD ARG 43 HD1 ARG 43 17.062 32.856 -1.823 333 HE ARG 43 HE ARG 43 18.153 33.851 0.096 334 1HH1 ARG 43 HH11 ARG 43 19.540 31.339 0.322 335 2HH1 ARG 43 HH12 ARG 43 19.270 30.977 2.002 336 1HH2 ARG 43 HH21 ARG 43 16.614 33.228 2.069 337 2HH2 ARG 43 HH22 ARG 43 17.458 32.046 3.074 338 HA PRO 44 HA PRO 44 11.314 35.453 1.294 339 1HB PRO 44 HB2 PRO 44 14.256 35.671 2.023 340 2HB PRO 44 HB1 PRO 44 12.903 36.527 2.759 341 1HG PRO 44 HG2 PRO 44 13.418 34.260 3.877 342 2HG PRO 44 HG1 PRO 44 11.765 34.466 3.395 343 1HD PRO 44 HD2 PRO 44 13.819 32.690 1.954 344 2HD PRO 44 HD1 PRO 44 12.072 32.518 2.136 345 H GLY 45 HN GLY 45 14.370 36.360 -0.143 346 1HA GLY 45 HA2 GLY 45 14.775 37.770 -1.994 347 2HA GLY 45 HA1 GLY 45 13.128 37.488 -2.505 348 H MET 46 HN MET 46 11.700 38.720 -0.579 349 HA MET 46 HA MET 46 12.419 41.599 -0.996 350 1HB MET 46 HB2 MET 46 10.192 40.791 -1.767 351 2HB MET 46 HB1 MET 46 9.789 40.254 -0.159 352 1HG MET 46 HG2 MET 46 10.027 42.675 0.634 353 2HG MET 46 HG1 MET 46 10.344 43.128 -1.007 354 1HE MET 46 HE1 MET 46 8.198 42.030 1.623 355 2HE MET 46 HE2 MET 46 6.814 41.292 0.827 356 3HE MET 46 HE3 MET 46 6.768 42.992 1.332 357 H LEU 47 HN LEU 47 10.751 39.939 1.670 358 HA LEU 47 HA LEU 47 12.241 41.665 3.607 359 1HB LEU 47 HB2 LEU 47 9.716 41.564 3.800 360 2HB LEU 47 HB1 LEU 47 9.808 39.820 3.958 361 HG LEU 47 HG LEU 47 11.209 40.176 6.073 362 1HD1 LEU 47 HD11 LEU 47 10.288 43.053 5.695 363 2HD1 LEU 47 HD12 LEU 47 11.954 42.523 5.599 364 3HD1 LEU 47 HD13 LEU 47 11.084 42.428 7.120 365 1HD2 LEU 47 HD21 LEU 47 8.423 41.394 6.016 366 2HD2 LEU 47 HD22 LEU 47 9.244 40.787 7.449 367 3HD2 LEU 47 HD23 LEU 47 8.799 39.683 6.154 368 H ASP 48 HN ASP 48 13.654 40.583 5.115 369 HA ASP 48 HA ASP 48 14.157 37.722 4.439 370 1HB ASP 48 HB2 ASP 48 15.825 40.097 5.308 371 2HB ASP 48 HB1 ASP 48 16.438 38.527 5.755 372 H PHE 49 HN PHE 49 14.694 39.528 7.537 373 HA PHE 49 HA PHE 49 14.513 38.694 9.639 374 1HB PHE 49 HB2 PHE 49 11.802 38.931 8.321 375 2HB PHE 49 HB1 PHE 49 11.832 38.679 10.039 376 HD1 PHE 49 HD1 PHE 49 11.884 40.524 11.436 377 HD2 PHE 49 HD2 PHE 49 13.384 40.963 7.478 378 HE1 PHE 49 HE1 PHE 49 12.196 42.924 11.822 379 HE2 PHE 49 HE2 PHE 49 13.700 43.360 7.862 380 HZ PHE 49 HZ PHE 49 13.101 44.354 10.040 381 H LYS 50 HN LYS 50 12.470 37.231 10.725 382 HA LYS 50 HA LYS 50 13.688 34.592 10.845 383 1HB LYS 50 HB2 LYS 50 11.000 35.457 11.976 384 2HB LYS 50 HB1 LYS 50 11.837 33.984 12.405 385 1HG LYS 50 HG2 LYS 50 13.876 35.798 12.823 386 2HG LYS 50 HG1 LYS 50 12.501 36.841 13.102 387 1HD LYS 50 HD2 LYS 50 13.178 35.938 15.213 388 2HD LYS 50 HD1 LYS 50 11.625 35.246 14.804 389 1HE LYS 50 HE2 LYS 50 12.514 33.088 14.405 390 2HE LYS 50 HE1 LYS 50 14.115 33.690 14.014 391 1HZ LYS 50 HZ1 LYS 50 13.203 32.812 16.502 392 2HZ LYS 50 HZ2 LYS 50 13.495 34.501 16.654 393 3HZ LYS 50 HZ3 LYS 50 14.699 33.420 16.086 394 H GLY 51 HN GLY 51 12.744 35.174 8.252 395 1HA GLY 51 HA2 GLY 51 10.967 32.861 7.553 396 2HA GLY 51 HA1 GLY 51 11.093 34.364 6.595 397 H LYS 52 HN LYS 52 13.437 34.994 6.398 398 HA LYS 52 HA LYS 52 14.920 33.415 4.558 399 1HB LYS 52 HB2 LYS 52 15.302 35.835 5.202 400 2HB LYS 52 HB1 LYS 52 16.061 35.317 6.682 401 1HG LYS 52 HG2 LYS 52 17.790 34.046 5.161 402 2HG LYS 52 HG1 LYS 52 16.957 34.756 3.800 403 1HD LYS 52 HD2 LYS 52 18.016 36.770 3.993 404 2HD LYS 52 HD1 LYS 52 17.516 36.915 5.651 405 1HE LYS 52 HE2 LYS 52 20.001 35.490 4.698 406 2HE LYS 52 HE1 LYS 52 19.924 37.057 5.503 407 1HZ LYS 52 HZ1 LYS 52 19.720 36.019 7.501 408 2HZ LYS 52 HZ2 LYS 52 19.911 34.518 6.711 409 3HZ LYS 52 HZ3 LYS 52 18.363 35.160 6.876 410 H ALA 53 HN ALA 53 15.108 33.356 8.055 411 HA ALA 53 HA ALA 53 17.151 31.282 8.155 412 1HB ALA 53 HB1 ALA 53 14.970 31.992 10.199 413 2HB ALA 53 HB2 ALA 53 16.548 32.747 10.115 414 3HB ALA 53 HB3 ALA 53 16.414 31.061 10.539 415 H LYS 54 HN LYS 54 13.664 30.833 9.086 416 HA LYS 54 HA LYS 54 13.385 28.128 8.890 417 1HB LYS 54 HB2 LYS 54 11.531 30.222 7.672 418 2HB LYS 54 HB1 LYS 54 11.070 28.569 8.056 419 1HG LYS 54 HG2 LYS 54 12.279 30.357 10.239 420 2HG LYS 54 HG1 LYS 54 10.603 30.544 9.871 421 1HD LYS 54 HD2 LYS 54 11.543 27.694 10.230 422 2HD LYS 54 HD1 LYS 54 11.656 28.704 11.660 423 1HE LYS 54 HE2 LYS 54 9.527 27.301 11.227 424 2HE LYS 54 HE1 LYS 54 9.348 28.948 11.805 425 1HZ LYS 54 HZ1 LYS 54 8.184 29.422 9.974 426 2HZ LYS 54 HZ2 LYS 54 8.437 27.867 9.326 427 3HZ LYS 54 HZ3 LYS 54 9.560 29.124 9.054 428 H TRP 55 HN TRP 55 13.337 30.219 6.031 429 HA TRP 55 HA TRP 55 12.972 28.192 4.184 430 1HB TRP 55 HB2 TRP 55 12.786 30.766 3.934 431 2HB TRP 55 HB1 TRP 55 14.514 30.780 3.675 432 HD1 TRP 55 HD1 TRP 55 11.217 29.520 1.844 433 HE1 TRP 55 HE1 TRP 55 12.068 28.650 -0.390 434 HE3 TRP 55 HE3 TRP 55 16.259 29.868 2.416 435 HZ2 TRP 55 HZ2 TRP 55 14.307 28.260 -1.829 436 HZ3 TRP 55 HZ3 TRP 55 17.757 29.219 0.582 437 HH2 TRP 55 HH2 TRP 55 16.814 28.416 -1.532 438 H ASP 56 HN ASP 56 15.843 29.877 5.066 439 HA ASP 56 HA ASP 56 17.569 28.131 3.543 440 1HB ASP 56 HB2 ASP 56 18.010 30.121 5.785 441 2HB ASP 56 HB1 ASP 56 19.291 28.938 5.550 442 H ALA 57 HN ALA 57 16.488 27.844 6.859 443 HA ALA 57 HA ALA 57 18.031 25.708 7.725 444 1HB ALA 57 HB1 ALA 57 16.176 25.473 9.381 445 2HB ALA 57 HB2 ALA 57 15.126 26.470 8.389 446 3HB ALA 57 HB3 ALA 57 16.578 27.171 9.105 447 H TRP 58 HN TRP 58 15.020 25.882 5.854 448 HA TRP 58 HA TRP 58 14.853 22.926 5.633 449 1HB TRP 58 HB2 TRP 58 12.815 24.303 5.501 450 2HB TRP 58 HB1 TRP 58 13.482 25.192 4.159 451 HD1 TRP 58 HD1 TRP 58 14.163 21.323 3.939 452 HE1 TRP 58 HE1 TRP 58 12.515 20.579 2.071 453 HE3 TRP 58 HE3 TRP 58 11.298 25.419 3.318 454 HZ2 TRP 58 HZ2 TRP 58 10.398 21.431 0.532 455 HZ3 TRP 58 HZ3 TRP 58 9.445 25.454 1.711 456 HH2 TRP 58 HH2 TRP 58 9.007 23.511 0.279 457 H ASN 59 HN ASN 59 15.875 25.576 3.478 458 HA ASN 59 HA ASN 59 16.634 24.156 1.213 459 1HB ASN 59 HB2 ASN 59 16.849 26.706 1.647 460 2HB ASN 59 HB1 ASN 59 18.215 26.351 2.659 461 1HD2 ASN 59 HD21 ASN 59 19.482 27.828 1.542 462 2HD2 ASN 59 HD22 ASN 59 20.150 27.355 0.033 463 H GLU 60 HN GLU 60 18.441 24.511 4.095 464 HA GLU 60 HA GLU 60 20.826 23.208 3.657 465 1HB GLU 60 HB2 GLU 60 20.071 24.431 5.727 466 2HB GLU 60 HB1 GLU 60 19.112 23.032 6.163 467 1HG GLU 60 HG2 GLU 60 21.164 21.604 6.139 468 2HG GLU 60 HG1 GLU 60 22.139 22.979 5.678 469 H LEU 61 HN LEU 61 17.736 21.692 3.675 470 HA LEU 61 HA LEU 61 18.754 18.985 4.020 471 1HB LEU 61 HB2 LEU 61 15.990 20.088 3.870 472 2HB LEU 61 HB1 LEU 61 16.396 18.410 4.161 473 HG LEU 61 HG LEU 61 17.464 20.696 5.907 474 1HD1 LEU 61 HD11 LEU 61 15.794 19.940 7.495 475 2HD1 LEU 61 HD12 LEU 61 15.221 18.724 6.351 476 3HD1 LEU 61 HD13 LEU 61 15.019 20.436 5.987 477 1HD2 LEU 61 HD21 LEU 61 17.984 18.874 7.471 478 2HD2 LEU 61 HD22 LEU 61 18.856 18.578 5.993 479 3HD2 LEU 61 HD23 LEU 61 17.409 17.652 6.365 480 H LYS 62 HN LYS 62 18.310 20.899 1.222 481 HA LYS 62 HA LYS 62 17.028 19.066 -0.509 482 1HB LYS 62 HB2 LYS 62 17.485 21.378 -0.993 483 2HB LYS 62 HB1 LYS 62 19.213 21.193 -0.862 484 1HG LYS 62 HG2 LYS 62 18.999 19.549 -2.906 485 2HG LYS 62 HG1 LYS 62 17.367 20.154 -3.079 486 1HD LYS 62 HD2 LYS 62 19.920 21.833 -3.117 487 2HD LYS 62 HD1 LYS 62 18.904 21.470 -4.507 488 1HE LYS 62 HE2 LYS 62 17.006 22.696 -3.418 489 2HE LYS 62 HE1 LYS 62 18.028 23.032 -2.031 490 1HZ LYS 62 HZ1 LYS 62 18.866 24.750 -3.046 491 2HZ LYS 62 HZ2 LYS 62 17.936 24.464 -4.449 492 3HZ LYS 62 HZ3 LYS 62 19.483 23.767 -4.303 493 H GLY 63 HN GLY 63 17.589 17.076 -0.769 494 1HA GLY 63 HA2 GLY 63 19.272 15.398 -1.677 495 2HA GLY 63 HA1 GLY 63 20.509 16.223 -0.744 496 H THR 64 HN THR 64 18.254 16.324 1.427 497 HA THR 64 HA THR 64 19.023 13.798 2.764 498 HB THR 64 HB THR 64 17.454 16.292 3.743 499 HG1 THR 64 HG1 THR 64 19.630 16.591 3.563 500 1HG2 THR 64 HG21 THR 64 18.537 13.896 5.306 501 2HG2 THR 64 HG22 THR 64 16.818 14.112 4.977 502 3HG2 THR 64 HG23 THR 64 17.683 15.261 5.980 503 H SER 65 HN SER 65 17.683 12.084 2.304 504 HA SER 65 HA SER 65 15.300 12.299 0.783 505 1HB SER 65 HB2 SER 65 15.109 9.894 1.082 506 2HB SER 65 HB1 SER 65 16.836 10.194 1.270 507 HG SER 65 HG1 SER 65 16.692 9.792 3.342 508 H LYS 66 HN LYS 66 13.109 11.763 1.312 509 HA LYS 66 HA LYS 66 12.071 13.306 3.422 510 1HB LYS 66 HB2 LYS 66 10.777 10.837 2.089 511 2HB LYS 66 HB1 LYS 66 9.936 12.059 3.034 512 1HG LYS 66 HG2 LYS 66 10.705 13.827 1.533 513 2HG LYS 66 HG1 LYS 66 11.533 12.682 0.514 514 1HD LYS 66 HD2 LYS 66 9.182 11.525 0.268 515 2HD LYS 66 HD1 LYS 66 8.542 12.956 1.051 516 1HE LYS 66 HE2 LYS 66 8.422 13.432 -1.322 517 2HE LYS 66 HE1 LYS 66 9.777 14.357 -0.686 518 1HZ LYS 66 HZ1 LYS 66 11.140 13.255 -2.073 519 2HZ LYS 66 HZ2 LYS 66 9.848 12.320 -2.665 520 3HZ LYS 66 HZ3 LYS 66 10.746 11.770 -1.328 521 H GLU 67 HN GLU 67 13.020 9.860 3.293 522 HA GLU 67 HA GLU 67 12.134 9.081 5.791 523 1HB GLU 67 HB2 GLU 67 14.351 8.144 3.862 524 2HB GLU 67 HB1 GLU 67 13.758 7.177 5.177 525 1HG GLU 67 HG2 GLU 67 11.437 7.148 4.160 526 2HG GLU 67 HG1 GLU 67 12.012 8.094 2.799 527 H ASP 68 HN ASP 68 15.461 10.333 4.782 528 HA ASP 68 HA ASP 68 16.498 10.073 7.390 529 1HB ASP 68 HB2 ASP 68 17.095 11.798 4.982 530 2HB ASP 68 HB1 ASP 68 18.057 11.880 6.438 531 H ALA 69 HN ALA 69 14.906 12.622 5.796 532 HA ALA 69 HA ALA 69 14.994 14.602 7.890 533 1HB ALA 69 HB1 ALA 69 12.992 15.573 6.647 534 2HB ALA 69 HB2 ALA 69 12.799 14.018 5.830 535 3HB ALA 69 HB3 ALA 69 14.209 14.992 5.518 536 H MET 70 HN MET 70 12.399 12.106 7.174 537 HA MET 70 HA MET 70 10.925 12.420 9.472 538 1HB MET 70 HB2 MET 70 11.687 10.145 7.656 539 2HB MET 70 HB1 MET 70 10.812 9.755 9.072 540 1HG MET 70 HG2 MET 70 9.214 11.715 8.202 541 2HG MET 70 HG1 MET 70 10.143 11.618 6.764 542 1HE MET 70 HE1 MET 70 8.092 11.622 5.417 543 2HE MET 70 HE2 MET 70 7.665 10.060 4.729 544 3HE MET 70 HE3 MET 70 9.350 10.555 4.721 545 H LYS 71 HN LYS 71 13.573 10.196 9.093 546 HA LYS 71 HA LYS 71 13.878 9.096 11.609 547 1HB LYS 71 HB2 LYS 71 15.689 9.581 9.313 548 2HB LYS 71 HB1 LYS 71 16.564 9.494 10.814 549 1HG LYS 71 HG2 LYS 71 15.251 7.250 11.182 550 2HG LYS 71 HG1 LYS 71 14.955 7.336 9.437 551 1HD LYS 71 HD2 LYS 71 17.409 7.691 9.040 552 2HD LYS 71 HD1 LYS 71 17.710 7.594 10.768 553 1HE LYS 71 HE2 LYS 71 16.804 5.233 10.736 554 2HE LYS 71 HE1 LYS 71 16.736 5.348 8.977 555 1HZ LYS 71 HZ1 LYS 71 19.019 4.818 10.578 556 2HZ LYS 71 HZ2 LYS 71 19.188 6.361 9.878 557 3HZ LYS 71 HZ3 LYS 71 18.954 5.034 8.870 558 H ALA 72 HN ALA 72 15.957 11.759 10.491 559 HA ALA 72 HA ALA 72 16.965 12.448 12.974 560 1HB ALA 72 HB1 ALA 72 17.969 13.086 10.833 561 2HB ALA 72 HB2 ALA 72 17.628 14.553 11.717 562 3HB ALA 72 HB3 ALA 72 16.565 14.036 10.411 563 H TYR 73 HN TYR 73 14.117 13.753 11.279 564 HA TYR 73 HA TYR 73 13.519 15.881 13.007 565 1HB TYR 73 HB2 TYR 73 12.470 15.453 10.792 566 2HB TYR 73 HB1 TYR 73 11.729 14.006 11.387 567 HD1 TYR 73 HD1 TYR 73 9.906 14.244 13.255 568 HD2 TYR 73 HD2 TYR 73 11.501 17.520 11.073 569 HE1 TYR 73 HE1 TYR 73 7.992 15.656 13.912 570 HE2 TYR 73 HE2 TYR 73 9.635 18.890 11.723 571 HH TYR 73 HH TYR 73 7.734 18.973 12.718 572 H ILE 74 HN ILE 74 12.354 12.657 12.940 573 HA ILE 74 HA ILE 74 10.775 12.706 15.332 574 HB ILE 74 HB ILE 74 12.182 10.286 14.086 575 1HG1 ILE 74 HG12 ILE 74 9.250 11.050 13.890 576 2HG1 ILE 74 HG11 ILE 74 10.398 11.675 12.715 577 1HG2 ILE 74 HG21 ILE 74 11.418 10.002 16.530 578 2HG2 ILE 74 HG22 ILE 74 10.463 9.035 15.434 579 3HG2 ILE 74 HG23 ILE 74 9.812 10.538 16.055 580 1HD1 ILE 74 HD1 ILE 74 9.982 8.719 13.337 581 2HD1 ILE 74 HD2 ILE 74 11.125 9.355 12.180 582 3HD1 ILE 74 HD3 ILE 74 9.401 9.530 11.906 583 H ASP 75 HN ASP 75 14.091 11.376 14.902 584 HA ASP 75 HA ASP 75 14.465 10.800 17.624 585 1HB ASP 75 HB2 ASP 75 16.100 11.224 15.137 586 2HB ASP 75 HB1 ASP 75 16.955 11.328 16.666 587 H LYS 76 HN LYS 76 14.931 13.757 15.865 588 HA LYS 76 HA LYS 76 16.018 15.138 18.205 589 1HB LYS 76 HB2 LYS 76 15.373 15.819 15.476 590 2HB LYS 76 HB1 LYS 76 14.636 17.047 16.467 591 1HG LYS 76 HG2 LYS 76 17.585 16.202 16.762 592 2HG LYS 76 HG1 LYS 76 17.070 17.629 15.898 593 1HD LYS 76 HD2 LYS 76 16.001 18.534 17.985 594 2HD LYS 76 HD1 LYS 76 16.532 17.137 18.884 595 1HE LYS 76 HE2 LYS 76 18.401 19.156 17.576 596 2HE LYS 76 HE1 LYS 76 17.930 19.210 19.259 597 1HZ LYS 76 HZ1 LYS 76 20.070 17.711 18.199 598 2HZ LYS 76 HZ2 LYS 76 18.883 16.590 18.605 599 3HZ LYS 76 HZ3 LYS 76 19.435 17.541 19.777 600 H VAL 77 HN VAL 77 12.527 14.751 16.972 601 HA VAL 77 HA VAL 77 11.521 16.383 19.113 602 HB VAL 77 HB VAL 77 10.253 13.940 17.723 603 1HG1 VAL 77 HG11 VAL 77 9.220 14.556 19.962 604 2HG1 VAL 77 HG12 VAL 77 8.116 14.952 18.650 605 3HG1 VAL 77 HG13 VAL 77 9.069 16.217 19.411 606 1HG2 VAL 77 HG21 VAL 77 10.790 15.824 16.152 607 2HG2 VAL 77 HG22 VAL 77 9.999 16.961 17.223 608 3HG2 VAL 77 HG23 VAL 77 9.056 15.772 16.387 609 H GLU 78 HN GLU 78 12.213 12.901 18.876 610 HA GLU 78 HA GLU 78 11.594 11.894 21.383 611 1HB GLU 78 HB2 GLU 78 12.889 11.017 19.147 612 2HB GLU 78 HB1 GLU 78 14.302 11.291 20.130 613 1HG GLU 78 HG2 GLU 78 12.049 9.469 21.061 614 2HG GLU 78 HG1 GLU 78 13.405 8.903 20.111 615 H GLU 79 HN GLU 79 14.638 13.608 20.489 616 HA GLU 79 HA GLU 79 15.781 13.833 23.050 617 1HB GLU 79 HB2 GLU 79 15.961 15.797 20.678 618 2HB GLU 79 HB1 GLU 79 17.032 15.844 22.049 619 1HG GLU 79 HG2 GLU 79 17.944 13.587 21.423 620 2HG GLU 79 HG1 GLU 79 16.886 13.524 20.034 621 H LEU 80 HN LEU 80 13.937 16.277 21.259 622 HA LEU 80 HA LEU 80 13.705 18.148 23.386 623 1HB LEU 80 HB2 LEU 80 11.704 17.713 21.125 624 2HB LEU 80 HB1 LEU 80 11.801 19.166 22.106 625 HG LEU 80 HG LEU 80 13.965 18.153 20.192 626 1HD1 LEU 80 HD11 LEU 80 11.847 19.021 19.159 627 2HD1 LEU 80 HD12 LEU 80 13.184 20.139 18.911 628 3HD1 LEU 80 HD13 LEU 80 11.984 20.482 20.140 629 1HD2 LEU 80 HD21 LEU 80 14.851 19.608 22.157 630 2HD2 LEU 80 HD22 LEU 80 13.782 20.889 21.554 631 3HD2 LEU 80 HD23 LEU 80 15.063 20.262 20.561 632 H LYS 81 HN LYS 81 11.866 15.401 22.849 633 HA LYS 81 HA LYS 81 9.582 16.166 24.518 634 1HB LYS 81 HB2 LYS 81 9.519 14.663 22.661 635 2HB LYS 81 HB1 LYS 81 10.624 13.529 23.390 636 1HG LYS 81 HG2 LYS 81 8.651 12.462 23.970 637 2HG LYS 81 HG1 LYS 81 8.825 13.496 25.361 638 1HD LYS 81 HD2 LYS 81 6.545 13.644 24.525 639 2HD LYS 81 HD1 LYS 81 7.341 15.204 24.399 640 1HE LYS 81 HE2 LYS 81 7.424 15.078 22.035 641 2HE LYS 81 HE1 LYS 81 7.396 13.320 22.020 642 1HZ LYS 81 HZ1 LYS 81 5.114 13.385 21.889 643 2HZ LYS 81 HZ2 LYS 81 5.125 15.050 21.785 644 3HZ LYS 81 HZ3 LYS 81 5.059 14.298 23.295 645 H LYS 82 HN LYS 82 12.328 14.061 24.812 646 HA LYS 82 HA LYS 82 11.841 13.591 27.677 647 1HB LYS 82 HB2 LYS 82 13.951 13.048 25.638 648 2HB LYS 82 HB1 LYS 82 14.250 12.597 27.323 649 1HG LYS 82 HG2 LYS 82 12.456 11.036 27.400 650 2HG LYS 82 HG1 LYS 82 11.487 11.884 26.231 651 1HD LYS 82 HD2 LYS 82 12.292 9.690 25.426 652 2HD LYS 82 HD1 LYS 82 12.785 11.025 24.397 653 1HE LYS 82 HE2 LYS 82 14.999 10.977 25.149 654 2HE LYS 82 HE1 LYS 82 14.593 10.057 26.602 655 1HZ LYS 82 HZ1 LYS 82 14.960 8.147 25.364 656 2HZ LYS 82 HZ2 LYS 82 15.186 9.119 23.960 657 3HZ LYS 82 HZ3 LYS 82 13.730 8.625 24.287 658 H LYS 83 HN LYS 83 13.629 15.898 25.903 659 HA LYS 83 HA LYS 83 14.901 16.908 28.356 660 1HB LYS 83 HB2 LYS 83 15.755 16.724 25.878 661 2HB LYS 83 HB1 LYS 83 15.006 18.244 25.655 662 1HG LYS 83 HG2 LYS 83 17.424 18.591 26.273 663 2HG LYS 83 HG1 LYS 83 16.342 19.301 27.469 664 1HD LYS 83 HD2 LYS 83 16.678 17.420 29.008 665 2HD LYS 83 HD1 LYS 83 17.478 16.463 27.769 666 1HE LYS 83 HE2 LYS 83 19.393 18.078 27.872 667 2HE LYS 83 HE1 LYS 83 18.528 19.013 29.090 668 1HZ LYS 83 HZ1 LYS 83 20.043 16.642 29.478 669 2HZ LYS 83 HZ2 LYS 83 18.419 16.300 29.815 670 3HZ LYS 83 HZ3 LYS 83 19.216 17.543 30.653 671 H TYR 84 HN TYR 84 12.599 18.061 26.145 672 HA TYR 84 HA TYR 84 11.986 20.462 27.856 673 1HB TYR 84 HB2 TYR 84 11.109 19.844 24.974 674 2HB TYR 84 HB1 TYR 84 10.411 21.101 25.922 675 HD1 TYR 84 HD1 TYR 84 11.761 23.029 26.679 676 HD2 TYR 84 HD2 TYR 84 13.347 20.128 24.015 677 HE1 TYR 84 HE1 TYR 84 13.544 24.591 26.024 678 HE2 TYR 84 HE2 TYR 84 15.125 21.691 23.361 679 HH TYR 84 HH TYR 84 16.064 23.737 23.725 680 H GLY 85 HN GLY 85 10.428 17.457 26.810 681 1HA GLY 85 HA2 GLY 85 8.754 16.591 28.479 682 2HA GLY 85 HA1 GLY 85 8.093 18.207 28.574 683 H ILE 86 HN ILE 86 6.252 16.552 28.396 684 HA ILE 86 HA ILE 86 5.423 16.477 25.544 685 HB ILE 86 HB ILE 86 6.001 14.211 26.364 686 1HG1 ILE 86 HG12 ILE 86 2.973 14.409 26.434 687 2HG1 ILE 86 HG11 ILE 86 3.835 14.629 24.944 688 1HG2 ILE 86 HG21 ILE 86 4.077 14.632 28.687 689 2HG2 ILE 86 HG22 ILE 86 5.818 14.524 28.799 690 3HG2 ILE 86 HG23 ILE 86 4.881 13.133 28.313 691 1HD1 ILE 86 HD1 ILE 86 4.831 12.272 25.269 692 2HD1 ILE 86 HD2 ILE 86 3.079 12.268 25.155 693 3HD1 ILE 86 HD3 ILE 86 3.859 12.124 26.715 Start of MODEL 7 1 1H SER 1 HT1 SER 1 -0.744 8.926 5.342 2 2H SER 1 HT2 SER 1 0.761 8.175 5.026 3 3H SER 1 HT3 SER 1 0.472 9.797 4.539 4 HA SER 1 HA SER 1 1.185 10.525 6.531 5 1HB SER 1 HB2 SER 1 -0.692 8.577 7.981 6 2HB SER 1 HB1 SER 1 -0.454 10.294 8.316 7 HG SER 1 HG1 SER 1 -2.188 10.519 7.051 8 H GLN 2 HN GLN 2 2.824 9.827 8.133 9 HA GLN 2 HA GLN 2 3.632 6.929 8.001 10 1HB GLN 2 HB2 GLN 2 5.345 9.479 8.142 11 2HB GLN 2 HB1 GLN 2 5.995 7.844 8.299 12 1HG GLN 2 HG2 GLN 2 5.052 7.356 5.971 13 2HG GLN 2 HG1 GLN 2 4.596 9.043 5.833 14 1HE2 GLN 2 HE21 GLN 2 7.557 8.861 7.501 15 2HE2 GLN 2 HE22 GLN 2 8.545 9.071 6.127 16 H ALA 3 HN ALA 3 2.756 6.244 10.084 17 HA ALA 3 HA ALA 3 1.980 7.737 12.155 18 1HB ALA 3 HB1 ALA 3 3.460 5.063 12.168 19 2HB ALA 3 HB2 ALA 3 1.740 5.295 11.933 20 3HB ALA 3 HB3 ALA 3 2.459 5.637 13.489 21 H GLU 4 HN GLU 4 5.222 6.372 12.095 22 HA GLU 4 HA GLU 4 6.241 7.466 14.386 23 1HB GLU 4 HB2 GLU 4 8.440 7.337 13.273 24 2HB GLU 4 HB1 GLU 4 7.541 5.836 13.150 25 1HG GLU 4 HG2 GLU 4 6.806 6.555 10.743 26 2HG GLU 4 HG1 GLU 4 7.882 7.926 10.888 27 H PHE 5 HN PHE 5 6.481 8.919 11.332 28 HA PHE 5 HA PHE 5 7.823 11.310 12.408 29 1HB PHE 5 HB2 PHE 5 8.348 10.475 10.194 30 2HB PHE 5 HB1 PHE 5 6.624 10.577 9.834 31 HD1 PHE 5 HD1 PHE 5 5.903 12.326 8.626 32 HD2 PHE 5 HD2 PHE 5 9.357 12.940 11.025 33 HE1 PHE 5 HE1 PHE 5 6.104 14.527 7.747 34 HE2 PHE 5 HE2 PHE 5 9.606 15.172 10.151 35 HZ PHE 5 HZ PHE 5 7.949 16.034 8.463 36 H ASP 6 HN ASP 6 4.571 10.732 10.943 37 HA ASP 6 HA ASP 6 3.662 13.348 11.285 38 1HB ASP 6 HB2 ASP 6 2.268 10.635 11.472 39 2HB ASP 6 HB1 ASP 6 1.504 12.184 11.202 40 H LYS 7 HN LYS 7 3.666 10.567 13.496 41 HA LYS 7 HA LYS 7 2.390 11.985 15.634 42 1HB LYS 7 HB2 LYS 7 2.976 9.416 15.520 43 2HB LYS 7 HB1 LYS 7 4.559 9.860 16.125 44 1HG LYS 7 HG2 LYS 7 3.377 9.514 18.168 45 2HG LYS 7 HG1 LYS 7 3.253 11.245 17.973 46 1HD LYS 7 HD2 LYS 7 0.988 10.702 16.657 47 2HD LYS 7 HD1 LYS 7 1.154 9.124 17.359 48 1HE LYS 7 HE2 LYS 7 -0.338 10.276 18.794 49 2HE LYS 7 HE1 LYS 7 1.196 10.196 19.652 50 1HZ LYS 7 HZ1 LYS 7 1.338 12.519 18.119 51 2HZ LYS 7 HZ2 LYS 7 1.154 12.399 19.800 52 3HZ LYS 7 HZ3 LYS 7 -0.193 12.573 18.834 53 H ALA 8 HN ALA 8 6.007 11.545 14.836 54 HA ALA 8 HA ALA 8 6.788 13.164 17.021 55 1HB ALA 8 HB1 ALA 8 8.255 11.890 15.500 56 2HB ALA 8 HB2 ALA 8 8.834 13.536 15.604 57 3HB ALA 8 HB3 ALA 8 7.926 13.001 14.191 58 H ALA 9 HN ALA 9 6.002 14.138 13.899 59 HA ALA 9 HA ALA 9 6.273 16.982 14.021 60 1HB ALA 9 HB1 ALA 9 5.897 15.737 11.896 61 2HB ALA 9 HB2 ALA 9 4.754 17.071 12.057 62 3HB ALA 9 HB3 ALA 9 4.248 15.419 12.395 63 H GLU 10 HN GLU 10 3.232 15.113 14.642 64 HA GLU 10 HA GLU 10 1.845 17.551 15.272 65 1HB GLU 10 HB2 GLU 10 0.760 15.409 14.490 66 2HB GLU 10 HB1 GLU 10 1.181 14.669 16.027 67 1HG GLU 10 HG2 GLU 10 -1.189 15.674 15.987 68 2HG GLU 10 HG1 GLU 10 -0.210 16.378 17.261 69 H GLU 11 HN GLU 11 3.574 15.021 17.237 70 HA GLU 11 HA GLU 11 2.795 15.967 19.735 71 1HB GLU 11 HB2 GLU 11 5.365 14.653 18.707 72 2HB GLU 11 HB1 GLU 11 4.897 14.809 20.377 73 1HG GLU 11 HG2 GLU 11 2.909 13.536 18.536 74 2HG GLU 11 HG1 GLU 11 4.304 12.607 19.048 75 H VAL 12 HN VAL 12 5.571 16.833 17.704 76 HA VAL 12 HA VAL 12 6.719 18.725 19.502 77 HB VAL 12 HB VAL 12 7.424 17.683 17.102 78 1HG1 VAL 12 HG11 VAL 12 7.803 19.404 15.449 79 2HG1 VAL 12 HG12 VAL 12 6.878 20.579 16.364 80 3HG1 VAL 12 HG13 VAL 12 6.101 19.155 15.672 81 1HG2 VAL 12 HG21 VAL 12 9.382 19.290 17.246 82 2HG2 VAL 12 HG22 VAL 12 8.973 18.636 18.817 83 3HG2 VAL 12 HG23 VAL 12 8.460 20.265 18.378 84 H LYS 13 HN LYS 13 4.480 19.273 16.752 85 HA LYS 13 HA LYS 13 4.127 22.064 17.257 86 1HB LYS 13 HB2 LYS 13 2.201 20.014 16.157 87 2HB LYS 13 HB1 LYS 13 1.935 21.758 16.065 88 1HG LYS 13 HG2 LYS 13 4.115 21.942 14.779 89 2HG LYS 13 HG1 LYS 13 4.190 20.200 14.699 90 1HD LYS 13 HD2 LYS 13 1.964 21.951 13.527 91 2HD LYS 13 HD1 LYS 13 3.175 21.067 12.630 92 1HE LYS 13 HE2 LYS 13 1.345 19.623 12.481 93 2HE LYS 13 HE1 LYS 13 2.244 18.953 13.826 94 1HZ LYS 13 HZ1 LYS 13 -0.395 19.695 13.904 95 2HZ LYS 13 HZ2 LYS 13 0.401 20.965 14.777 96 3HZ LYS 13 HZ3 LYS 13 0.516 19.338 15.170 97 H HIS 14 HN HIS 14 3.304 19.507 19.148 98 HA HIS 14 HA HIS 14 1.206 20.980 20.692 99 1HB HIS 14 HB2 HIS 14 -0.059 19.080 20.400 100 2HB HIS 14 HB1 HIS 14 1.223 18.319 19.512 101 HD1 HIS 14 HD1 HIS 14 3.149 17.578 21.592 102 HD2 HIS 14 HD2 HIS 14 -0.844 17.220 22.246 103 HE1 HIS 14 HE1 HIS 14 2.887 15.894 23.434 104 H LEU 15 HN LEU 15 4.431 20.739 20.910 105 HA LEU 15 HA LEU 15 4.781 19.466 23.467 106 1HB LEU 15 HB2 LEU 15 6.297 21.770 22.120 107 2HB LEU 15 HB1 LEU 15 6.842 21.046 23.619 108 HG LEU 15 HG LEU 15 6.279 19.419 21.159 109 1HD1 LEU 15 HD11 LEU 15 8.780 19.386 20.837 110 2HD1 LEU 15 HD12 LEU 15 8.954 20.589 22.113 111 3HD1 LEU 15 HD13 LEU 15 8.093 20.982 20.624 112 1HD2 LEU 15 HD21 LEU 15 6.354 18.109 23.220 113 2HD2 LEU 15 HD22 LEU 15 7.912 18.800 23.624 114 3HD2 LEU 15 HD23 LEU 15 7.751 17.725 22.242 115 H LYS 16 HN LYS 16 4.567 20.329 25.561 116 HA LYS 16 HA LYS 16 2.595 22.500 25.668 117 1HB LYS 16 HB2 LYS 16 2.545 20.606 27.229 118 2HB LYS 16 HB1 LYS 16 4.160 20.988 27.782 119 1HG LYS 16 HG2 LYS 16 3.360 23.115 28.736 120 2HG LYS 16 HG1 LYS 16 1.759 22.846 28.071 121 1HD LYS 16 HD2 LYS 16 1.405 20.858 29.443 122 2HD LYS 16 HD1 LYS 16 3.057 20.853 30.005 123 1HE LYS 16 HE2 LYS 16 1.031 23.059 30.581 124 2HE LYS 16 HE1 LYS 16 1.458 21.765 31.703 125 1HZ LYS 16 HZ1 LYS 16 3.271 22.959 32.303 126 2HZ LYS 16 HZ2 LYS 16 2.900 24.165 31.168 127 3HZ LYS 16 HZ3 LYS 16 3.833 22.834 30.709 128 H THR 17 HN THR 17 5.930 22.330 25.525 129 HA THR 17 HA THR 17 6.211 25.156 26.540 130 HB THR 17 HB THR 17 8.481 23.177 26.026 131 HG1 THR 17 HG1 THR 17 7.141 22.359 27.616 132 1HG2 THR 17 HG21 THR 17 8.199 25.597 27.869 133 2HG2 THR 17 HG22 THR 17 9.139 25.645 26.376 134 3HG2 THR 17 HG23 THR 17 9.624 24.610 27.702 135 H LYS 18 HN LYS 18 7.772 26.395 25.319 136 HA LYS 18 HA LYS 18 7.255 26.259 22.382 137 1HB LYS 18 HB2 LYS 18 6.758 28.347 23.618 138 2HB LYS 18 HB1 LYS 18 8.453 28.539 23.999 139 1HG LYS 18 HG2 LYS 18 8.429 28.165 21.162 140 2HG LYS 18 HG1 LYS 18 6.985 29.079 21.471 141 1HD LYS 18 HD2 LYS 18 8.698 30.741 21.070 142 2HD LYS 18 HD1 LYS 18 8.333 30.776 22.775 143 1HE LYS 18 HE2 LYS 18 10.772 30.875 22.397 144 2HE LYS 18 HE1 LYS 18 10.354 29.423 23.282 145 1HZ LYS 18 HZ1 LYS 18 10.160 28.874 20.497 146 2HZ LYS 18 HZ2 LYS 18 11.117 28.163 21.624 147 3HZ LYS 18 HZ3 LYS 18 11.677 29.542 20.771 148 HA PRO 19 HA PRO 19 11.539 24.379 22.391 149 1HB PRO 19 HB2 PRO 19 11.245 23.835 19.571 150 2HB PRO 19 HB1 PRO 19 11.032 22.689 20.889 151 1HG PRO 19 HG2 PRO 19 8.925 24.475 19.555 152 2HG PRO 19 HG1 PRO 19 8.777 22.774 19.964 153 1HD PRO 19 HD2 PRO 19 7.635 24.467 21.590 154 2HD PRO 19 HD1 PRO 19 8.690 23.270 22.374 155 H ALA 20 HN ALA 20 13.406 25.302 21.884 156 HA ALA 20 HA ALA 20 13.438 28.071 21.031 157 1HB ALA 20 HB1 ALA 20 14.988 27.201 22.719 158 2HB ALA 20 HB2 ALA 20 15.912 27.856 21.377 159 3HB ALA 20 HB3 ALA 20 15.712 26.124 21.533 160 H ASP 21 HN ASP 21 15.008 28.877 19.603 161 HA ASP 21 HA ASP 21 14.468 28.909 16.983 162 1HB ASP 21 HB2 ASP 21 17.139 29.493 16.968 163 2HB ASP 21 HB1 ASP 21 15.966 30.554 17.720 164 H GLU 22 HN GLU 22 17.475 27.246 17.771 165 HA GLU 22 HA GLU 22 17.650 25.856 15.346 166 1HB GLU 22 HB2 GLU 22 18.762 25.586 18.139 167 2HB GLU 22 HB1 GLU 22 19.015 24.202 17.096 168 1HG GLU 22 HG2 GLU 22 20.852 25.985 17.003 169 2HG GLU 22 HG1 GLU 22 20.191 25.564 15.435 170 H GLU 23 HN GLU 23 15.878 24.588 18.245 171 HA GLU 23 HA GLU 23 15.321 22.159 16.746 172 1HB GLU 23 HB2 GLU 23 14.302 23.563 19.270 173 2HB GLU 23 HB1 GLU 23 13.430 22.166 18.672 174 1HG GLU 23 HG2 GLU 23 15.606 21.971 20.491 175 2HG GLU 23 HG1 GLU 23 14.988 20.644 19.538 176 H MET 24 HN MET 24 13.588 25.208 17.130 177 HA MET 24 HA MET 24 11.321 24.480 15.532 178 1HB MET 24 HB2 MET 24 12.765 27.171 15.834 179 2HB MET 24 HB1 MET 24 11.225 27.019 15.004 180 1HG MET 24 HG2 MET 24 10.258 26.042 17.096 181 2HG MET 24 HG1 MET 24 11.791 26.229 17.880 182 1HE MET 24 HE1 MET 24 9.341 29.572 16.188 183 2HE MET 24 HE2 MET 24 8.343 28.448 17.123 184 3HE MET 24 HE3 MET 24 9.320 27.876 15.776 185 H LEU 25 HN LEU 25 14.402 25.916 14.468 186 HA LEU 25 HA LEU 25 13.904 25.842 11.674 187 1HB LEU 25 HB2 LEU 25 16.256 26.088 13.563 188 2HB LEU 25 HB1 LEU 25 16.560 26.050 11.862 189 HG LEU 25 HG LEU 25 14.536 28.018 13.100 190 1HD1 LEU 25 HD11 LEU 25 16.812 28.310 14.085 191 2HD1 LEU 25 HD12 LEU 25 16.392 29.652 13.055 192 3HD1 LEU 25 HD13 LEU 25 17.503 28.418 12.482 193 1HD2 LEU 25 HD21 LEU 25 14.929 29.236 11.020 194 2HD2 LEU 25 HD22 LEU 25 14.480 27.584 10.607 195 3HD2 LEU 25 HD23 LEU 25 16.152 28.085 10.513 196 H PHE 26 HN PHE 26 15.606 23.585 13.763 197 HA PHE 26 HA PHE 26 16.462 21.665 11.863 198 1HB PHE 26 HB2 PHE 26 17.042 21.687 14.339 199 2HB PHE 26 HB1 PHE 26 15.418 21.208 14.731 200 HD1 PHE 26 HD1 PHE 26 14.663 18.943 13.183 201 HD2 PHE 26 HD2 PHE 26 18.588 20.001 14.465 202 HE1 PHE 26 HE1 PHE 26 15.354 16.616 12.995 203 HE2 PHE 26 HE2 PHE 26 19.272 17.656 14.284 204 HZ PHE 26 HZ PHE 26 17.655 15.950 13.559 205 H ILE 27 HN ILE 27 13.553 21.622 13.918 206 HA ILE 27 HA ILE 27 12.117 19.586 12.613 207 HB ILE 27 HB ILE 27 11.451 22.067 14.185 208 1HG1 ILE 27 HG12 ILE 27 10.618 20.475 15.898 209 2HG1 ILE 27 HG11 ILE 27 10.717 19.127 14.803 210 1HG2 ILE 27 HG21 ILE 27 9.430 21.841 12.682 211 2HG2 ILE 27 HG22 ILE 27 9.034 21.391 14.318 212 3HG2 ILE 27 HG23 ILE 27 9.339 20.157 13.131 213 1HD1 ILE 27 HD1 ILE 27 12.520 19.000 16.404 214 2HD1 ILE 27 HD2 ILE 27 13.097 20.600 16.010 215 3HD1 ILE 27 HD3 ILE 27 13.225 19.304 14.829 216 H TYR 28 HN TYR 28 11.155 22.860 12.358 217 HA TYR 28 HA TYR 28 9.747 23.190 10.112 218 1HB TYR 28 HB2 TYR 28 10.838 25.061 11.396 219 2HB TYR 28 HB1 TYR 28 12.278 24.847 10.426 220 HD1 TYR 28 HD1 TYR 28 8.741 25.819 10.415 221 HD2 TYR 28 HD2 TYR 28 12.296 25.534 8.062 222 HE1 TYR 28 HE1 TYR 28 7.717 27.223 8.655 223 HE2 TYR 28 HE2 TYR 28 11.265 26.899 6.349 224 HH TYR 28 HH TYR 28 9.398 27.871 5.657 225 H SER 29 HN SER 29 13.364 23.096 9.578 226 HA SER 29 HA SER 29 13.235 22.907 6.828 227 1HB SER 29 HB2 SER 29 15.651 22.386 7.173 228 2HB SER 29 HB1 SER 29 15.167 23.563 8.376 229 HG SER 29 HG1 SER 29 14.997 22.017 9.851 230 H HIS 30 HN HIS 30 13.792 20.401 9.198 231 HA HIS 30 HA HIS 30 13.911 18.192 7.426 232 1HB HIS 30 HB2 HIS 30 13.288 18.482 10.399 233 2HB HIS 30 HB1 HIS 30 13.423 16.904 9.645 234 HD1 HIS 30 HD1 HIS 30 15.641 19.975 9.708 235 HD2 HIS 30 HD2 HIS 30 15.858 15.897 9.968 236 HE1 HIS 30 HE1 HIS 30 18.051 19.396 10.067 237 H TYR 31 HN TYR 31 11.167 19.652 9.030 238 HA TYR 31 HA TYR 31 9.264 17.564 8.284 239 1HB TYR 31 HB2 TYR 31 8.793 19.111 10.242 240 2HB TYR 31 HB1 TYR 31 8.703 20.471 9.157 241 HD1 TYR 31 HD1 TYR 31 6.771 20.649 7.599 242 HD2 TYR 31 HD2 TYR 31 7.068 17.387 10.320 243 HE1 TYR 31 HE1 TYR 31 4.423 20.032 7.153 244 HE2 TYR 31 HE2 TYR 31 4.735 16.788 9.862 245 HH TYR 31 HH TYR 31 2.809 17.419 8.803 246 H LYS 32 HN LYS 32 10.008 20.874 7.096 247 HA LYS 32 HA LYS 32 8.129 20.758 4.887 248 1HB LYS 32 HB2 LYS 32 10.805 22.218 5.121 249 2HB LYS 32 HB1 LYS 32 9.641 22.454 3.858 250 1HG LYS 32 HG2 LYS 32 9.229 23.282 6.742 251 2HG LYS 32 HG1 LYS 32 9.427 24.303 5.355 252 1HD LYS 32 HD2 LYS 32 7.053 22.480 5.875 253 2HD LYS 32 HD1 LYS 32 7.067 24.228 5.914 254 1HE LYS 32 HE2 LYS 32 7.449 24.357 3.488 255 2HE LYS 32 HE1 LYS 32 7.630 22.611 3.362 256 1HZ LYS 32 HZ1 LYS 32 5.448 22.357 3.286 257 2HZ LYS 32 HZ2 LYS 32 5.230 24.061 3.232 258 3HZ LYS 32 HZ3 LYS 32 5.224 23.249 4.720 259 H GLN 33 HN GLN 33 11.562 19.897 5.145 260 HA GLN 33 HA GLN 33 11.785 18.899 2.514 261 1HB GLN 33 HB2 GLN 33 13.643 19.406 4.214 262 2HB GLN 33 HB1 GLN 33 13.245 17.884 4.979 263 1HG GLN 33 HG2 GLN 33 15.122 17.893 3.272 264 2HG GLN 33 HG1 GLN 33 13.920 16.643 2.937 265 1HE2 GLN 33 HE21 GLN 33 14.172 16.615 0.647 266 2HE2 GLN 33 HE22 GLN 33 13.879 17.999 -0.320 267 H ALA 34 HN ALA 34 10.957 17.198 5.410 268 HA ALA 34 HA ALA 34 10.718 14.625 4.220 269 1HB ALA 34 HB1 ALA 34 9.509 15.772 6.749 270 2HB ALA 34 HB2 ALA 34 11.072 14.990 6.611 271 3HB ALA 34 HB3 ALA 34 9.599 14.062 6.369 272 H THR 35 HN THR 35 8.217 17.011 4.714 273 HA THR 35 HA THR 35 6.147 15.143 3.740 274 HB THR 35 HB THR 35 4.567 17.041 4.215 275 HG1 THR 35 HG1 THR 35 6.803 18.354 5.251 276 1HG2 THR 35 HG21 THR 35 6.689 16.729 6.425 277 2HG2 THR 35 HG22 THR 35 5.393 15.571 6.126 278 3HG2 THR 35 HG23 THR 35 5.000 17.218 6.549 279 H VAL 36 HN VAL 36 7.059 18.289 2.830 280 HA VAL 36 HA VAL 36 5.736 18.011 0.175 281 HB VAL 36 HB VAL 36 7.425 20.343 1.237 282 1HG1 VAL 36 HG11 VAL 36 6.336 21.629 -0.621 283 2HG1 VAL 36 HG12 VAL 36 5.519 20.172 -1.177 284 3HG1 VAL 36 HG13 VAL 36 7.274 20.313 -1.250 285 1HG2 VAL 36 HG21 VAL 36 5.371 20.015 2.581 286 2HG2 VAL 36 HG22 VAL 36 4.400 19.998 1.122 287 3HG2 VAL 36 HG23 VAL 36 5.224 21.472 1.579 288 H GLY 37 HN GLY 37 8.968 18.272 1.431 289 1HA GLY 37 HA2 GLY 37 10.787 16.950 0.280 290 2HA GLY 37 HA1 GLY 37 10.034 17.400 -1.253 291 H ASP 38 HN ASP 38 11.746 18.485 -2.118 292 HA ASP 38 HA ASP 38 13.399 20.238 -0.854 293 1HB ASP 38 HB2 ASP 38 12.338 20.610 -3.736 294 2HB ASP 38 HB1 ASP 38 13.941 20.892 -3.004 295 H ILE 39 HN ILE 39 13.630 22.529 -1.223 296 HA ILE 39 HA ILE 39 11.347 23.918 -0.036 297 HB ILE 39 HB ILE 39 13.725 24.085 0.564 298 1HG1 ILE 39 HG12 ILE 39 12.380 26.614 -0.361 299 2HG1 ILE 39 HG11 ILE 39 11.809 25.648 0.952 300 1HG2 ILE 39 HG21 ILE 39 13.979 25.534 -2.118 301 2HG2 ILE 39 HG22 ILE 39 14.798 24.045 -1.675 302 3HG2 ILE 39 HG23 ILE 39 15.204 25.533 -0.865 303 1HD1 ILE 39 HD1 ILE 39 14.578 26.903 0.767 304 2HD1 ILE 39 HD2 ILE 39 14.047 25.846 2.057 305 3HD1 ILE 39 HD3 ILE 39 13.296 27.397 1.859 306 H ASN 40 HN ASN 40 9.582 24.673 -1.319 307 HA ASN 40 HA ASN 40 10.197 25.266 -4.132 308 1HB ASN 40 HB2 ASN 40 8.074 24.156 -4.679 309 2HB ASN 40 HB1 ASN 40 9.065 23.037 -3.766 310 1HD2 ASN 40 HD21 ASN 40 5.965 23.888 -4.057 311 2HD2 ASN 40 HD22 ASN 40 5.460 23.614 -2.453 312 H THR 41 HN THR 41 9.636 26.571 -1.355 313 HA THR 41 HA THR 41 7.642 28.601 -2.250 314 HB THR 41 HB THR 41 8.066 29.272 0.373 315 HG1 THR 41 HG1 THR 41 9.427 27.825 1.144 316 1HG2 THR 41 HG21 THR 41 6.677 26.648 -0.317 317 2HG2 THR 41 HG22 THR 41 5.910 28.214 -0.564 318 3HG2 THR 41 HG23 THR 41 6.318 27.676 1.060 319 H GLU 42 HN GLU 42 8.471 30.902 -1.841 320 HA GLU 42 HA GLU 42 11.177 30.906 -2.874 321 1HB GLU 42 HB2 GLU 42 9.460 33.214 -2.226 322 2HB GLU 42 HB1 GLU 42 10.750 33.139 -3.414 323 1HG GLU 42 HG2 GLU 42 8.007 31.701 -3.621 324 2HG GLU 42 HG1 GLU 42 8.606 32.937 -4.684 325 H ARG 43 HN ARG 43 12.983 31.595 -2.175 326 HA ARG 43 HA ARG 43 13.481 31.879 0.590 327 1HB ARG 43 HB2 ARG 43 15.159 31.215 -1.102 328 2HB ARG 43 HB1 ARG 43 15.152 32.834 -1.737 329 1HG ARG 43 HG2 ARG 43 15.819 33.593 0.682 330 2HG ARG 43 HG1 ARG 43 15.857 31.893 1.084 331 1HD ARG 43 HD2 ARG 43 17.627 31.545 -0.650 332 2HD ARG 43 HD1 ARG 43 17.582 33.275 -0.995 333 HE ARG 43 HE ARG 43 18.357 32.089 1.706 334 1HH1 ARG 43 HH11 ARG 43 17.491 35.005 1.057 335 2HH1 ARG 43 HH12 ARG 43 19.030 35.767 1.228 336 1HH2 ARG 43 HH21 ARG 43 20.632 32.714 1.126 337 2HH2 ARG 43 HH22 ARG 43 20.912 34.409 1.316 338 HA PRO 44 HA PRO 44 12.050 36.080 0.982 339 1HB PRO 44 HB2 PRO 44 12.838 36.564 3.572 340 2HB PRO 44 HB1 PRO 44 11.456 35.531 3.180 341 1HG PRO 44 HG2 PRO 44 14.348 34.717 3.570 342 2HG PRO 44 HG1 PRO 44 12.934 34.085 4.455 343 1HD PRO 44 HD2 PRO 44 13.851 32.675 2.373 344 2HD PRO 44 HD1 PRO 44 12.101 32.954 2.483 345 H GLY 45 HN GLY 45 12.887 38.144 1.507 346 1HA GLY 45 HA2 GLY 45 15.814 38.567 1.021 347 2HA GLY 45 HA1 GLY 45 14.640 39.346 -0.029 348 H MET 46 HN MET 46 15.475 41.255 0.460 349 HA MET 46 HA MET 46 16.260 42.799 2.351 350 1HB MET 46 HB2 MET 46 15.544 43.676 0.227 351 2HB MET 46 HB1 MET 46 13.858 43.374 0.575 352 1HG MET 46 HG2 MET 46 13.953 45.092 2.399 353 2HG MET 46 HG1 MET 46 15.625 45.384 2.019 354 1HE MET 46 HE1 MET 46 12.150 45.103 0.145 355 2HE MET 46 HE2 MET 46 11.908 46.810 -0.160 356 3HE MET 46 HE3 MET 46 12.020 46.256 1.497 357 H LEU 47 HN LEU 47 12.662 42.543 2.521 358 HA LEU 47 HA LEU 47 12.945 43.503 5.315 359 1HB LEU 47 HB2 LEU 47 11.442 44.708 3.794 360 2HB LEU 47 HB1 LEU 47 10.456 43.268 3.605 361 HG LEU 47 HG LEU 47 9.985 43.293 6.098 362 1HD1 LEU 47 HD11 LEU 47 11.486 45.967 6.032 363 2HD1 LEU 47 HD12 LEU 47 12.074 44.532 6.852 364 3HD1 LEU 47 HD13 LEU 47 10.616 45.311 7.408 365 1HD2 LEU 47 HD21 LEU 47 9.432 45.903 4.635 366 2HD2 LEU 47 HD22 LEU 47 8.532 45.303 6.022 367 3HD2 LEU 47 HD23 LEU 47 8.480 44.432 4.498 368 H ASP 48 HN ASP 48 13.177 42.251 6.638 369 HA ASP 48 HA ASP 48 12.127 40.886 8.488 370 1HB ASP 48 HB2 ASP 48 10.409 39.633 7.237 371 2HB ASP 48 HB1 ASP 48 11.617 38.926 6.168 372 H PHE 49 HN PHE 49 13.173 38.961 9.585 373 HA PHE 49 HA PHE 49 15.747 38.135 8.535 374 1HB PHE 49 HB2 PHE 49 15.342 39.132 11.402 375 2HB PHE 49 HB1 PHE 49 16.852 38.955 10.546 376 HD1 PHE 49 HD1 PHE 49 17.672 40.828 9.098 377 HD2 PHE 49 HD2 PHE 49 13.830 41.027 10.914 378 HE1 PHE 49 HE1 PHE 49 17.498 43.220 8.505 379 HE2 PHE 49 HE2 PHE 49 13.659 43.387 10.330 380 HZ PHE 49 HZ PHE 49 15.484 44.501 9.121 381 H LYS 50 HN LYS 50 12.877 37.533 10.039 382 HA LYS 50 HA LYS 50 13.582 34.981 11.443 383 1HB LYS 50 HB2 LYS 50 10.935 36.450 11.358 384 2HB LYS 50 HB1 LYS 50 11.325 35.142 12.453 385 1HG LYS 50 HG2 LYS 50 12.469 37.974 12.410 386 2HG LYS 50 HG1 LYS 50 11.470 37.270 13.653 387 1HD LYS 50 HD2 LYS 50 13.310 35.552 14.103 388 2HD LYS 50 HD1 LYS 50 14.357 36.451 13.032 389 1HE LYS 50 HE2 LYS 50 13.088 37.492 15.605 390 2HE LYS 50 HE1 LYS 50 14.771 37.021 15.428 391 1HZ LYS 50 HZ1 LYS 50 14.056 38.855 13.391 392 2HZ LYS 50 HZ2 LYS 50 15.249 39.064 14.586 393 3HZ LYS 50 HZ3 LYS 50 13.656 39.536 14.906 394 H GLY 51 HN GLY 51 13.066 35.489 8.577 395 1HA GLY 51 HA2 GLY 51 11.366 33.084 7.832 396 2HA GLY 51 HA1 GLY 51 11.512 34.518 6.801 397 H LYS 52 HN LYS 52 13.934 35.066 6.691 398 HA LYS 52 HA LYS 52 15.228 33.412 4.777 399 1HB LYS 52 HB2 LYS 52 17.287 34.594 5.140 400 2HB LYS 52 HB1 LYS 52 16.025 35.739 5.550 401 1HG LYS 52 HG2 LYS 52 16.333 35.046 8.005 402 2HG LYS 52 HG1 LYS 52 17.730 34.103 7.488 403 1HD LYS 52 HD2 LYS 52 18.746 36.192 6.536 404 2HD LYS 52 HD1 LYS 52 17.393 37.116 7.169 405 1HE LYS 52 HE2 LYS 52 17.958 36.014 9.463 406 2HE LYS 52 HE1 LYS 52 19.487 35.549 8.720 407 1HZ LYS 52 HZ1 LYS 52 20.251 37.623 9.085 408 2HZ LYS 52 HZ2 LYS 52 18.755 38.062 9.756 409 3HZ LYS 52 HZ3 LYS 52 19.016 38.255 8.095 410 H ALA 53 HN ALA 53 15.569 33.216 8.208 411 HA ALA 53 HA ALA 53 17.519 31.109 8.329 412 1HB ALA 53 HB1 ALA 53 16.843 32.610 10.223 413 2HB ALA 53 HB2 ALA 53 16.674 30.934 10.699 414 3HB ALA 53 HB3 ALA 53 15.258 31.878 10.259 415 H LYS 54 HN LYS 54 14.010 30.836 8.960 416 HA LYS 54 HA LYS 54 13.740 28.080 8.752 417 1HB LYS 54 HB2 LYS 54 11.988 30.413 8.082 418 2HB LYS 54 HB1 LYS 54 11.376 28.776 8.036 419 1HG LYS 54 HG2 LYS 54 12.665 28.623 10.437 420 2HG LYS 54 HG1 LYS 54 12.418 30.351 10.414 421 1HD LYS 54 HD2 LYS 54 10.273 28.368 9.763 422 2HD LYS 54 HD1 LYS 54 10.621 28.711 11.429 423 1HE LYS 54 HE2 LYS 54 9.868 30.843 9.365 424 2HE LYS 54 HE1 LYS 54 8.719 30.098 10.481 425 1HZ LYS 54 HZ1 LYS 54 10.583 32.178 11.020 426 2HZ LYS 54 HZ2 LYS 54 11.043 30.815 11.886 427 3HZ LYS 54 HZ3 LYS 54 9.480 31.457 12.111 428 H TRP 55 HN TRP 55 13.615 30.343 5.961 429 HA TRP 55 HA TRP 55 13.041 28.331 4.102 430 1HB TRP 55 HB2 TRP 55 12.847 30.854 3.768 431 2HB TRP 55 HB1 TRP 55 14.572 30.901 3.523 432 HD1 TRP 55 HD1 TRP 55 11.300 29.828 1.691 433 HE1 TRP 55 HE1 TRP 55 12.041 29.009 -0.595 434 HE3 TRP 55 HE3 TRP 55 16.375 29.845 2.143 435 HZ2 TRP 55 HZ2 TRP 55 14.261 28.508 -2.117 436 HZ3 TRP 55 HZ3 TRP 55 17.787 29.192 0.257 437 HH2 TRP 55 HH2 TRP 55 16.778 28.514 -1.881 438 H ASP 56 HN ASP 56 15.968 30.014 4.663 439 HA ASP 56 HA ASP 56 17.681 28.355 3.055 440 1HB ASP 56 HB2 ASP 56 18.192 30.185 5.398 441 2HB ASP 56 HB1 ASP 56 19.489 29.245 4.723 442 H ALA 57 HN ALA 57 16.878 28.019 6.467 443 HA ALA 57 HA ALA 57 18.480 25.827 7.060 444 1HB ALA 57 HB1 ALA 57 17.280 27.226 8.728 445 2HB ALA 57 HB2 ALA 57 16.850 25.539 8.981 446 3HB ALA 57 HB3 ALA 57 15.737 26.616 8.151 447 H TRP 58 HN TRP 58 15.288 26.074 5.522 448 HA TRP 58 HA TRP 58 14.937 23.107 5.452 449 1HB TRP 58 HB2 TRP 58 12.955 24.609 5.391 450 2HB TRP 58 HB1 TRP 58 13.568 25.361 3.954 451 HD1 TRP 58 HD1 TRP 58 14.175 21.533 3.651 452 HE1 TRP 58 HE1 TRP 58 12.355 20.755 2.056 453 HE3 TRP 58 HE3 TRP 58 11.215 25.566 3.594 454 HZ2 TRP 58 HZ2 TRP 58 9.834 21.663 0.892 455 HZ3 TRP 58 HZ3 TRP 58 9.104 25.642 2.297 456 HH2 TRP 58 HH2 TRP 58 8.444 23.697 0.933 457 H ASN 59 HN ASN 59 15.827 25.621 3.184 458 HA ASN 59 HA ASN 59 16.323 24.223 0.867 459 1HB ASN 59 HB2 ASN 59 16.432 26.723 1.241 460 2HB ASN 59 HB1 ASN 59 17.858 26.474 2.193 461 1HD2 ASN 59 HD21 ASN 59 19.341 27.458 1.199 462 2HD2 ASN 59 HD22 ASN 59 19.781 27.198 -0.448 463 H GLU 60 HN GLU 60 18.353 24.658 3.665 464 HA GLU 60 HA GLU 60 20.773 23.467 3.077 465 1HB GLU 60 HB2 GLU 60 20.020 24.621 5.239 466 2HB GLU 60 HB1 GLU 60 19.245 23.120 5.695 467 1HG GLU 60 HG2 GLU 60 21.386 22.978 6.781 468 2HG GLU 60 HG1 GLU 60 21.622 22.038 5.327 469 H LEU 61 HN LEU 61 17.737 22.007 3.560 470 HA LEU 61 HA LEU 61 18.707 19.208 3.293 471 1HB LEU 61 HB2 LEU 61 16.097 20.195 4.427 472 2HB LEU 61 HB1 LEU 61 16.706 18.544 4.435 473 HG LEU 61 HG LEU 61 18.159 20.819 5.833 474 1HD1 LEU 61 HD11 LEU 61 17.119 19.924 7.838 475 2HD1 LEU 61 HD12 LEU 61 16.256 18.706 6.907 476 3HD1 LEU 61 HD13 LEU 61 15.867 20.409 6.722 477 1HD2 LEU 61 HD21 LEU 61 19.257 18.919 6.998 478 2HD2 LEU 61 HD22 LEU 61 19.532 18.794 5.275 479 3HD2 LEU 61 HD23 LEU 61 18.337 17.752 6.054 480 H LYS 62 HN LYS 62 17.417 21.563 1.267 481 HA LYS 62 HA LYS 62 15.318 20.913 0.058 482 1HB LYS 62 HB2 LYS 62 16.899 22.694 -0.643 483 2HB LYS 62 HB1 LYS 62 18.026 21.527 -1.259 484 1HG LYS 62 HG2 LYS 62 16.102 20.718 -2.820 485 2HG LYS 62 HG1 LYS 62 15.223 22.094 -2.216 486 1HD LYS 62 HD2 LYS 62 16.681 23.666 -3.234 487 2HD LYS 62 HD1 LYS 62 17.870 22.445 -3.633 488 1HE LYS 62 HE2 LYS 62 14.966 22.349 -4.619 489 2HE LYS 62 HE1 LYS 62 16.252 23.083 -5.568 490 1HZ LYS 62 HZ1 LYS 62 16.819 20.997 -6.254 491 2HZ LYS 62 HZ2 LYS 62 15.652 20.291 -5.196 492 3HZ LYS 62 HZ3 LYS 62 17.161 20.589 -4.633 493 H GLY 63 HN GLY 63 18.011 18.748 -0.641 494 1HA GLY 63 HA2 GLY 63 16.067 17.176 -2.263 495 2HA GLY 63 HA1 GLY 63 17.806 17.206 -2.553 496 H THR 64 HN THR 64 17.212 17.333 0.636 497 HA THR 64 HA THR 64 18.352 14.796 1.339 498 HB THR 64 HB THR 64 16.395 16.463 2.982 499 HG1 THR 64 HG1 THR 64 18.948 16.779 3.657 500 1HG2 THR 64 HG21 THR 64 16.936 14.201 3.972 501 2HG2 THR 64 HG22 THR 64 17.606 15.492 4.934 502 3HG2 THR 64 HG23 THR 64 18.657 14.583 3.853 503 H SER 65 HN SER 65 17.026 12.758 2.244 504 HA SER 65 HA SER 65 14.702 12.515 0.508 505 1HB SER 65 HB2 SER 65 16.303 10.583 1.112 506 2HB SER 65 HB1 SER 65 15.675 10.693 2.760 507 HG SER 65 HG1 SER 65 14.551 9.227 1.158 508 H LYS 66 HN LYS 66 13.073 11.173 2.061 509 HA LYS 66 HA LYS 66 11.947 13.275 3.832 510 1HB LYS 66 HB2 LYS 66 10.673 10.773 2.531 511 2HB LYS 66 HB1 LYS 66 9.802 11.938 3.529 512 1HG LYS 66 HG2 LYS 66 10.573 13.801 2.030 513 2HG LYS 66 HG1 LYS 66 11.303 12.624 0.965 514 1HD LYS 66 HD2 LYS 66 9.073 11.660 0.468 515 2HD LYS 66 HD1 LYS 66 8.336 12.630 1.724 516 1HE LYS 66 HE2 LYS 66 7.895 13.729 -0.436 517 2HE LYS 66 HE1 LYS 66 8.956 14.705 0.553 518 1HZ LYS 66 HZ1 LYS 66 10.471 14.620 -1.149 519 2HZ LYS 66 HZ2 LYS 66 9.532 13.486 -1.975 520 3HZ LYS 66 HZ3 LYS 66 10.611 12.961 -0.782 521 H GLU 67 HN GLU 67 12.880 9.885 3.633 522 HA GLU 67 HA GLU 67 12.287 9.069 6.197 523 1HB GLU 67 HB2 GLU 67 14.358 8.389 4.099 524 2HB GLU 67 HB1 GLU 67 14.347 7.498 5.556 525 1HG GLU 67 HG2 GLU 67 11.894 6.791 4.952 526 2HG GLU 67 HG1 GLU 67 12.087 7.708 3.469 527 H ASP 68 HN ASP 68 15.525 10.283 5.151 528 HA ASP 68 HA ASP 68 16.849 9.983 7.513 529 1HB ASP 68 HB2 ASP 68 16.937 12.143 5.352 530 2HB ASP 68 HB1 ASP 68 18.208 11.819 6.491 531 H ALA 69 HN ALA 69 15.126 12.583 6.272 532 HA ALA 69 HA ALA 69 15.239 14.439 8.435 533 1HB ALA 69 HB1 ALA 69 13.288 15.513 7.219 534 2HB ALA 69 HB2 ALA 69 13.075 14.028 6.306 535 3HB ALA 69 HB3 ALA 69 14.528 14.960 6.116 536 H MET 70 HN MET 70 12.540 12.199 7.547 537 HA MET 70 HA MET 70 10.933 12.510 9.700 538 1HB MET 70 HB2 MET 70 11.740 10.287 7.814 539 2HB MET 70 HB1 MET 70 10.558 9.965 9.032 540 1HG MET 70 HG2 MET 70 9.231 11.864 8.133 541 2HG MET 70 HG1 MET 70 10.561 12.508 7.291 542 1HE MET 70 HE1 MET 70 7.045 11.210 6.259 543 2HE MET 70 HE2 MET 70 7.672 12.117 4.871 544 3HE MET 70 HE3 MET 70 7.915 12.720 6.485 545 H LYS 71 HN LYS 71 13.358 10.078 9.467 546 HA LYS 71 HA LYS 71 13.247 9.064 12.087 547 1HB LYS 71 HB2 LYS 71 15.483 9.132 10.009 548 2HB LYS 71 HB1 LYS 71 15.532 8.085 11.425 549 1HG LYS 71 HG2 LYS 71 13.557 6.917 10.798 550 2HG LYS 71 HG1 LYS 71 13.026 8.121 9.660 551 1HD LYS 71 HD2 LYS 71 15.130 7.476 8.260 552 2HD LYS 71 HD1 LYS 71 15.220 6.062 9.298 553 1HE LYS 71 HE2 LYS 71 12.853 5.491 8.726 554 2HE LYS 71 HE1 LYS 71 12.735 6.938 7.739 555 1HZ LYS 71 HZ1 LYS 71 13.700 4.435 6.865 556 2HZ LYS 71 HZ2 LYS 71 15.038 5.442 6.943 557 3HZ LYS 71 HZ3 LYS 71 13.708 5.853 6.019 558 H ALA 72 HN ALA 72 15.794 11.397 10.835 559 HA ALA 72 HA ALA 72 16.948 11.937 13.265 560 1HB ALA 72 HB1 ALA 72 17.757 12.673 11.022 561 2HB ALA 72 HB2 ALA 72 17.640 14.060 12.085 562 3HB ALA 72 HB3 ALA 72 16.400 13.770 10.868 563 H TYR 73 HN TYR 73 14.096 13.414 11.801 564 HA TYR 73 HA TYR 73 13.572 15.394 13.741 565 1HB TYR 73 HB2 TYR 73 12.775 15.240 11.409 566 2HB TYR 73 HB1 TYR 73 11.807 13.856 11.801 567 HD1 TYR 73 HD1 TYR 73 10.089 14.381 13.954 568 HD2 TYR 73 HD2 TYR 73 11.741 17.187 11.203 569 HE1 TYR 73 HE1 TYR 73 8.214 15.949 14.372 570 HE2 TYR 73 HE2 TYR 73 9.931 18.690 11.658 571 HH TYR 73 HH TYR 73 7.978 18.925 12.568 572 H ILE 74 HN ILE 74 12.267 12.158 13.383 573 HA ILE 74 HA ILE 74 10.554 12.145 15.660 574 HB ILE 74 HB ILE 74 12.147 9.847 14.412 575 1HG1 ILE 74 HG12 ILE 74 9.128 10.217 14.114 576 2HG1 ILE 74 HG11 ILE 74 10.141 11.241 13.130 577 1HG2 ILE 74 HG21 ILE 74 11.406 9.318 16.738 578 2HG2 ILE 74 HG22 ILE 74 10.465 8.413 15.586 579 3HG2 ILE 74 HG23 ILE 74 9.770 9.835 16.352 580 1HD1 ILE 74 HD1 ILE 74 9.503 9.116 11.980 581 2HD1 ILE 74 HD2 ILE 74 10.295 8.193 13.243 582 3HD1 ILE 74 HD3 ILE 74 11.232 9.207 12.188 583 H ASP 75 HN ASP 75 13.955 11.027 15.467 584 HA ASP 75 HA ASP 75 14.292 10.530 18.217 585 1HB ASP 75 HB2 ASP 75 16.049 11.132 15.811 586 2HB ASP 75 HB1 ASP 75 16.755 10.739 17.359 587 H LYS 76 HN LYS 76 14.998 13.419 16.291 588 HA LYS 76 HA LYS 76 15.982 14.975 18.490 589 1HB LYS 76 HB2 LYS 76 15.310 15.466 15.709 590 2HB LYS 76 HB1 LYS 76 14.514 16.719 16.610 591 1HG LYS 76 HG2 LYS 76 17.500 16.042 16.863 592 2HG LYS 76 HG1 LYS 76 16.838 17.427 16.032 593 1HD LYS 76 HD2 LYS 76 16.055 18.475 18.092 594 2HD LYS 76 HD1 LYS 76 16.295 17.017 19.009 595 1HE LYS 76 HE2 LYS 76 18.115 18.392 19.664 596 2HE LYS 76 HE1 LYS 76 18.826 17.270 18.522 597 1HZ LYS 76 HZ1 LYS 76 18.621 20.121 18.333 598 2HZ LYS 76 HZ2 LYS 76 17.757 19.490 17.118 599 3HZ LYS 76 HZ3 LYS 76 19.407 19.030 17.226 600 H VAL 77 HN VAL 77 12.540 14.630 17.272 601 HA VAL 77 HA VAL 77 11.369 16.341 19.170 602 HB VAL 77 HB VAL 77 10.416 13.737 17.845 603 1HG1 VAL 77 HG11 VAL 77 8.123 14.409 18.540 604 2HG1 VAL 77 HG12 VAL 77 8.760 15.768 19.429 605 3HG1 VAL 77 HG13 VAL 77 9.107 14.129 19.957 606 1HG2 VAL 77 HG21 VAL 77 9.124 15.373 16.439 607 2HG2 VAL 77 HG22 VAL 77 10.846 15.667 16.302 608 3HG2 VAL 77 HG23 VAL 77 9.854 16.695 17.298 609 H GLU 78 HN GLU 78 12.233 12.960 19.302 610 HA GLU 78 HA GLU 78 11.456 12.353 21.958 611 1HB GLU 78 HB2 GLU 78 13.123 11.213 19.862 612 2HB GLU 78 HB1 GLU 78 13.962 10.965 21.362 613 1HG GLU 78 HG2 GLU 78 11.065 10.150 20.676 614 2HG GLU 78 HG1 GLU 78 12.400 9.037 20.926 615 H GLU 79 HN GLU 79 14.582 13.930 20.781 616 HA GLU 79 HA GLU 79 15.771 14.198 23.353 617 1HB GLU 79 HB2 GLU 79 15.968 15.966 20.843 618 2HB GLU 79 HB1 GLU 79 17.020 16.150 22.220 619 1HG GLU 79 HG2 GLU 79 18.004 13.886 21.773 620 2HG GLU 79 HG1 GLU 79 16.928 13.684 20.404 621 H LEU 80 HN LEU 80 13.679 16.305 21.429 622 HA LEU 80 HA LEU 80 13.408 18.437 23.295 623 1HB LEU 80 HB2 LEU 80 11.505 17.340 21.176 624 2HB LEU 80 HB1 LEU 80 11.007 18.685 22.166 625 HG LEU 80 HG LEU 80 13.560 18.711 20.499 626 1HD1 LEU 80 HD11 LEU 80 12.209 20.176 19.030 627 2HD1 LEU 80 HD12 LEU 80 10.816 19.954 20.074 628 3HD1 LEU 80 HD13 LEU 80 11.445 18.604 19.125 629 1HD2 LEU 80 HD21 LEU 80 13.468 20.316 22.474 630 2HD2 LEU 80 HD22 LEU 80 11.904 20.878 21.870 631 3HD2 LEU 80 HD23 LEU 80 13.360 21.159 20.946 632 H LYS 81 HN LYS 81 11.194 15.748 23.073 633 HA LYS 81 HA LYS 81 9.697 16.544 25.340 634 1HB LYS 81 HB2 LYS 81 8.997 14.957 23.932 635 2HB LYS 81 HB1 LYS 81 10.341 13.824 24.108 636 1HG LYS 81 HG2 LYS 81 9.501 13.752 26.631 637 2HG LYS 81 HG1 LYS 81 8.098 14.609 26.053 638 1HD LYS 81 HD2 LYS 81 7.386 12.863 24.585 639 2HD LYS 81 HD1 LYS 81 8.911 12.010 24.653 640 1HE LYS 81 HE2 LYS 81 6.930 12.323 26.944 641 2HE LYS 81 HE1 LYS 81 7.230 10.846 26.020 642 1HZ LYS 81 HZ1 LYS 81 9.041 10.425 27.288 643 2HZ LYS 81 HZ2 LYS 81 8.715 11.817 28.227 644 3HZ LYS 81 HZ3 LYS 81 9.686 11.923 26.840 645 H LYS 82 HN LYS 82 12.744 14.746 25.104 646 HA LYS 82 HA LYS 82 12.836 14.280 27.999 647 1HB LYS 82 HB2 LYS 82 15.119 14.605 25.990 648 2HB LYS 82 HB1 LYS 82 15.336 14.051 27.638 649 1HG LYS 82 HG2 LYS 82 13.855 12.104 27.159 650 2HG LYS 82 HG1 LYS 82 13.606 12.665 25.525 651 1HD LYS 82 HD2 LYS 82 16.246 12.666 25.352 652 2HD LYS 82 HD1 LYS 82 16.210 11.789 26.862 653 1HE LYS 82 HE2 LYS 82 16.415 10.139 25.146 654 2HE LYS 82 HE1 LYS 82 14.750 10.063 25.711 655 1HZ LYS 82 HZ1 LYS 82 14.667 11.989 23.754 656 2HZ LYS 82 HZ2 LYS 82 14.139 10.381 23.618 657 3HZ LYS 82 HZ3 LYS 82 15.682 10.789 23.094 658 H LYS 83 HN LYS 83 14.207 16.871 25.983 659 HA LYS 83 HA LYS 83 15.384 18.505 27.858 660 1HB LYS 83 HB2 LYS 83 15.477 18.634 25.298 661 2HB LYS 83 HB1 LYS 83 13.929 19.362 25.339 662 1HG LYS 83 HG2 LYS 83 15.455 21.219 25.152 663 2HG LYS 83 HG1 LYS 83 14.694 21.283 26.712 664 1HD LYS 83 HD2 LYS 83 17.093 21.709 26.984 665 2HD LYS 83 HD1 LYS 83 16.696 20.186 27.754 666 1HE LYS 83 HE2 LYS 83 17.428 19.000 25.604 667 2HE LYS 83 HE1 LYS 83 17.905 20.574 24.983 668 1HZ LYS 83 HZ1 LYS 83 19.328 18.873 26.747 669 2HZ LYS 83 HZ2 LYS 83 19.022 20.344 27.529 670 3HZ LYS 83 HZ3 LYS 83 19.818 20.315 26.015 671 H TYR 84 HN TYR 84 12.349 18.966 26.472 672 HA TYR 84 HA TYR 84 11.567 21.067 28.401 673 1HB TYR 84 HB2 TYR 84 10.348 20.008 25.814 674 2HB TYR 84 HB1 TYR 84 9.576 21.254 26.774 675 HD1 TYR 84 HD1 TYR 84 11.295 23.221 27.511 676 HD2 TYR 84 HD2 TYR 84 11.696 20.821 24.009 677 HE1 TYR 84 HE1 TYR 84 12.631 24.978 26.451 678 HE2 TYR 84 HE2 TYR 84 13.060 22.622 22.979 679 HH TYR 84 HH TYR 84 13.490 25.702 24.494 680 H GLY 85 HN GLY 85 10.872 17.638 27.931 681 1HA GLY 85 HA2 GLY 85 9.721 16.356 29.504 682 2HA GLY 85 HA1 GLY 85 9.105 17.807 30.290 683 H ILE 86 HN ILE 86 7.865 19.140 28.120 684 HA ILE 86 HA ILE 86 6.104 17.481 26.676 685 HB ILE 86 HB ILE 86 5.238 17.277 28.953 686 1HG1 ILE 86 HG12 ILE 86 2.945 18.610 28.499 687 2HG1 ILE 86 HG11 ILE 86 3.700 18.815 26.924 688 1HG2 ILE 86 HG21 ILE 86 5.245 20.282 29.223 689 2HG2 ILE 86 HG22 ILE 86 6.161 19.123 30.145 690 3HG2 ILE 86 HG23 ILE 86 4.421 19.177 30.327 691 1HD1 ILE 86 HD1 ILE 86 2.385 16.709 26.922 692 2HD1 ILE 86 HD2 ILE 86 3.339 16.094 28.265 693 3HD1 ILE 86 HD3 ILE 86 4.082 16.382 26.705 Start of MODEL 8 1 1H SER 1 HT1 SER 1 5.073 6.536 4.930 2 2H SER 1 HT2 SER 1 4.614 8.075 5.506 3 3H SER 1 HT3 SER 1 3.889 7.435 4.105 4 HA SER 1 HA SER 1 2.249 6.633 5.424 5 1HB SER 1 HB2 SER 1 3.582 4.491 5.579 6 2HB SER 1 HB1 SER 1 4.507 5.144 6.946 7 HG SER 1 HG1 SER 1 2.764 4.276 7.980 8 H GLN 2 HN GLN 2 1.616 6.473 7.907 9 HA GLN 2 HA GLN 2 2.650 8.974 9.154 10 1HB GLN 2 HB2 GLN 2 -0.094 7.919 8.659 11 2HB GLN 2 HB1 GLN 2 0.121 8.803 10.150 12 1HG GLN 2 HG2 GLN 2 -0.570 10.234 8.128 13 2HG GLN 2 HG1 GLN 2 0.825 10.812 9.008 14 1HE2 GLN 2 HE21 GLN 2 2.504 11.444 7.663 15 2HE2 GLN 2 HE22 GLN 2 2.715 10.806 6.094 16 H ALA 3 HN ALA 3 4.177 6.842 10.058 17 HA ALA 3 HA ALA 3 3.025 6.100 12.642 18 1HB ALA 3 HB1 ALA 3 3.898 4.366 11.137 19 2HB ALA 3 HB2 ALA 3 4.940 4.483 12.538 20 3HB ALA 3 HB3 ALA 3 5.445 5.184 11.008 21 H GLU 4 HN GLU 4 6.344 6.002 12.814 22 HA GLU 4 HA GLU 4 6.693 7.663 14.941 23 1HB GLU 4 HB2 GLU 4 9.141 7.757 14.132 24 2HB GLU 4 HB1 GLU 4 8.452 6.195 14.329 25 1HG GLU 4 HG2 GLU 4 8.155 5.829 11.899 26 2HG GLU 4 HG1 GLU 4 8.682 7.438 11.513 27 H PHE 5 HN PHE 5 7.824 8.856 11.949 28 HA PHE 5 HA PHE 5 8.214 11.546 12.463 29 1HB PHE 5 HB2 PHE 5 8.541 10.527 10.193 30 2HB PHE 5 HB1 PHE 5 6.781 10.551 10.071 31 HD1 PHE 5 HD1 PHE 5 9.527 12.987 11.004 32 HD2 PHE 5 HD2 PHE 5 5.851 12.372 8.978 33 HE1 PHE 5 HE1 PHE 5 9.602 15.284 10.243 34 HE2 PHE 5 HE2 PHE 5 5.882 14.650 8.231 35 HZ PHE 5 HZ PHE 5 7.760 16.169 8.821 36 H ASP 6 HN ASP 6 5.026 10.492 11.197 37 HA ASP 6 HA ASP 6 3.818 12.958 11.655 38 1HB ASP 6 HB2 ASP 6 2.949 10.024 11.462 39 2HB ASP 6 HB1 ASP 6 1.808 11.380 11.406 40 H LYS 7 HN LYS 7 4.126 10.102 13.797 41 HA LYS 7 HA LYS 7 2.810 11.249 16.004 42 1HB LYS 7 HB2 LYS 7 4.046 8.911 15.861 43 2HB LYS 7 HB1 LYS 7 5.497 9.767 16.331 44 1HG LYS 7 HG2 LYS 7 4.587 8.950 18.392 45 2HG LYS 7 HG1 LYS 7 4.329 10.682 18.365 46 1HD LYS 7 HD2 LYS 7 2.047 9.776 17.053 47 2HD LYS 7 HD1 LYS 7 2.358 8.418 18.065 48 1HE LYS 7 HE2 LYS 7 1.953 9.525 20.035 49 2HE LYS 7 HE1 LYS 7 2.336 11.108 19.356 50 1HZ LYS 7 HZ1 LYS 7 0.321 10.162 17.742 51 2HZ LYS 7 HZ2 LYS 7 0.152 11.359 18.811 52 3HZ LYS 7 HZ3 LYS 7 -0.233 9.793 19.332 53 H ALA 8 HN ALA 8 6.169 11.717 15.028 54 HA ALA 8 HA ALA 8 6.819 13.589 17.112 55 1HB ALA 8 HB1 ALA 8 7.984 13.312 14.271 56 2HB ALA 8 HB2 ALA 8 8.498 12.445 15.698 57 3HB ALA 8 HB3 ALA 8 8.774 14.172 15.593 58 H ALA 9 HN ALA 9 5.712 14.100 13.950 59 HA ALA 9 HA ALA 9 5.498 16.898 13.707 60 1HB ALA 9 HB1 ALA 9 3.537 14.803 12.638 61 2HB ALA 9 HB2 ALA 9 5.040 15.240 11.852 62 3HB ALA 9 HB3 ALA 9 3.716 16.403 11.980 63 H GLU 10 HN GLU 10 3.124 14.525 15.095 64 HA GLU 10 HA GLU 10 1.151 16.353 15.860 65 1HB GLU 10 HB2 GLU 10 1.981 13.758 17.286 66 2HB GLU 10 HB1 GLU 10 0.468 14.585 17.496 67 1HG GLU 10 HG2 GLU 10 -0.277 13.860 15.247 68 2HG GLU 10 HG1 GLU 10 1.290 13.128 14.942 69 H GLU 11 HN GLU 11 3.788 14.825 17.706 70 HA GLU 11 HA GLU 11 3.454 16.010 20.180 71 1HB GLU 11 HB2 GLU 11 5.571 14.661 18.585 72 2HB GLU 11 HB1 GLU 11 6.197 15.631 19.886 73 1HG GLU 11 HG2 GLU 11 5.022 14.285 21.546 74 2HG GLU 11 HG1 GLU 11 3.901 13.654 20.360 75 H VAL 12 HN VAL 12 5.595 17.086 17.671 76 HA VAL 12 HA VAL 12 6.485 19.533 18.878 77 HB VAL 12 HB VAL 12 7.056 18.077 16.593 78 1HG1 VAL 12 HG11 VAL 12 6.204 20.850 15.643 79 2HG1 VAL 12 HG12 VAL 12 5.509 19.316 15.099 80 3HG1 VAL 12 HG13 VAL 12 7.160 19.711 14.720 81 1HG2 VAL 12 HG21 VAL 12 8.100 20.777 17.446 82 2HG2 VAL 12 HG22 VAL 12 8.912 19.705 16.323 83 3HG2 VAL 12 HG23 VAL 12 8.663 19.199 17.981 84 H LYS 13 HN LYS 13 4.131 19.140 16.276 85 HA LYS 13 HA LYS 13 3.055 21.712 16.272 86 1HB LYS 13 HB2 LYS 13 1.755 18.996 15.867 87 2HB LYS 13 HB1 LYS 13 0.825 20.461 15.650 88 1HG LYS 13 HG2 LYS 13 2.401 21.272 13.939 89 2HG LYS 13 HG1 LYS 13 3.441 19.879 14.204 90 1HD LYS 13 HD2 LYS 13 1.780 18.329 13.375 91 2HD LYS 13 HD1 LYS 13 0.504 19.510 13.460 92 1HE LYS 13 HE2 LYS 13 1.158 19.181 11.112 93 2HE LYS 13 HE1 LYS 13 1.609 20.810 11.614 94 1HZ LYS 13 HZ1 LYS 13 3.747 20.288 11.143 95 2HZ LYS 13 HZ2 LYS 13 3.231 18.760 10.664 96 3HZ LYS 13 HZ3 LYS 13 3.678 19.032 12.300 97 H HIS 14 HN HIS 14 2.756 19.425 18.709 98 HA HIS 14 HA HIS 14 0.864 21.218 20.198 99 1HB HIS 14 HB2 HIS 14 -0.530 19.441 20.131 100 2HB HIS 14 HB1 HIS 14 0.664 18.435 19.384 101 HD1 HIS 14 HD1 HIS 14 2.468 17.744 21.559 102 HD2 HIS 14 HD2 HIS 14 -1.532 18.069 22.237 103 HE1 HIS 14 HE1 HIS 14 1.980 16.380 23.609 104 H LEU 15 HN LEU 15 3.973 21.247 20.385 105 HA LEU 15 HA LEU 15 4.478 20.142 23.042 106 1HB LEU 15 HB2 LEU 15 5.936 22.349 21.517 107 2HB LEU 15 HB1 LEU 15 6.523 21.653 23.012 108 HG LEU 15 HG LEU 15 5.935 20.018 20.576 109 1HD1 LEU 15 HD11 LEU 15 7.785 21.677 20.126 110 2HD1 LEU 15 HD12 LEU 15 8.489 20.075 20.292 111 3HD1 LEU 15 HD13 LEU 15 8.576 21.205 21.628 112 1HD2 LEU 15 HD21 LEU 15 7.547 19.442 23.076 113 2HD2 LEU 15 HD22 LEU 15 7.441 18.348 21.708 114 3HD2 LEU 15 HD23 LEU 15 6.015 18.705 22.655 115 H LYS 16 HN LYS 16 4.457 21.139 25.027 116 HA LYS 16 HA LYS 16 2.846 23.673 25.097 117 1HB LYS 16 HB2 LYS 16 1.994 21.700 26.341 118 2HB LYS 16 HB1 LYS 16 3.481 21.598 27.245 119 1HG LYS 16 HG2 LYS 16 2.912 24.014 28.109 120 2HG LYS 16 HG1 LYS 16 1.297 23.683 27.502 121 1HD LYS 16 HD2 LYS 16 1.151 21.647 28.867 122 2HD LYS 16 HD1 LYS 16 2.836 21.785 29.334 123 1HE LYS 16 HE2 LYS 16 2.269 23.979 30.472 124 2HE LYS 16 HE1 LYS 16 0.568 23.650 30.145 125 1HZ LYS 16 HZ1 LYS 16 0.548 22.215 31.890 126 2HZ LYS 16 HZ2 LYS 16 2.185 22.567 32.205 127 3HZ LYS 16 HZ3 LYS 16 1.782 21.315 31.149 128 H THR 17 HN THR 17 6.033 22.701 25.362 129 HA THR 17 HA THR 17 6.756 25.051 27.109 130 HB THR 17 HB THR 17 8.526 22.753 26.192 131 HG1 THR 17 HG1 THR 17 6.760 22.275 27.577 132 1HG2 THR 17 HG21 THR 17 8.802 24.716 28.494 133 2HG2 THR 17 HG22 THR 17 9.885 24.703 27.092 134 3HG2 THR 17 HG23 THR 17 9.814 23.335 28.193 135 H LYS 18 HN LYS 18 8.897 26.121 26.413 136 HA LYS 18 HA LYS 18 8.594 26.848 23.577 137 1HB LYS 18 HB2 LYS 18 9.998 28.248 25.881 138 2HB LYS 18 HB1 LYS 18 9.859 28.852 24.247 139 1HG LYS 18 HG2 LYS 18 7.313 28.739 24.473 140 2HG LYS 18 HG1 LYS 18 7.514 28.198 26.118 141 1HD LYS 18 HD2 LYS 18 7.095 30.587 26.216 142 2HD LYS 18 HD1 LYS 18 8.776 30.333 26.643 143 1HE LYS 18 HE2 LYS 18 9.453 30.929 24.300 144 2HE LYS 18 HE1 LYS 18 7.761 31.172 23.887 145 1HZ LYS 18 HZ1 LYS 18 9.530 32.983 25.135 146 2HZ LYS 18 HZ2 LYS 18 8.319 32.603 26.254 147 3HZ LYS 18 HZ3 LYS 18 7.898 33.245 24.747 148 HA PRO 19 HA PRO 19 12.530 24.611 23.281 149 1HB PRO 19 HB2 PRO 19 12.017 24.388 20.363 150 2HB PRO 19 HB1 PRO 19 12.170 23.103 21.569 151 1HG PRO 19 HG2 PRO 19 9.704 23.666 20.490 152 2HG PRO 19 HG1 PRO 19 9.847 23.246 22.196 153 1HD PRO 19 HD2 PRO 19 9.754 26.098 21.044 154 2HD PRO 19 HD1 PRO 19 8.701 25.340 22.266 155 H ALA 20 HN ALA 20 14.397 24.875 21.558 156 HA ALA 20 HA ALA 20 14.906 27.812 21.375 157 1HB ALA 20 HB1 ALA 20 16.470 26.444 22.640 158 2HB ALA 20 HB2 ALA 20 17.288 27.108 21.235 159 3HB ALA 20 HB3 ALA 20 16.772 25.423 21.242 160 H ASP 21 HN ASP 21 15.992 28.783 19.589 161 HA ASP 21 HA ASP 21 14.837 28.639 17.122 162 1HB ASP 21 HB2 ASP 21 17.104 29.706 16.363 163 2HB ASP 21 HB1 ASP 21 16.272 30.483 17.691 164 H GLU 22 HN GLU 22 18.075 27.182 17.609 165 HA GLU 22 HA GLU 22 18.152 25.823 15.186 166 1HB GLU 22 HB2 GLU 22 19.313 25.362 17.970 167 2HB GLU 22 HB1 GLU 22 19.580 24.085 16.806 168 1HG GLU 22 HG2 GLU 22 20.303 27.012 16.286 169 2HG GLU 22 HG1 GLU 22 21.458 25.814 16.855 170 H GLU 23 HN GLU 23 16.551 24.483 18.153 171 HA GLU 23 HA GLU 23 15.958 21.986 16.950 172 1HB GLU 23 HB2 GLU 23 14.444 23.596 19.098 173 2HB GLU 23 HB1 GLU 23 14.305 21.863 18.878 174 1HG GLU 23 HG2 GLU 23 16.868 21.749 19.433 175 2HG GLU 23 HG1 GLU 23 16.759 23.448 19.843 176 H MET 24 HN MET 24 14.137 24.962 17.333 177 HA MET 24 HA MET 24 11.780 24.299 15.864 178 1HB MET 24 HB2 MET 24 13.205 27.017 16.051 179 2HB MET 24 HB1 MET 24 11.588 26.829 15.389 180 1HG MET 24 HG2 MET 24 10.951 25.734 17.617 181 2HG MET 24 HG1 MET 24 12.487 26.288 18.219 182 1HE MET 24 HE1 MET 24 12.458 29.524 19.113 183 2HE MET 24 HE2 MET 24 12.675 27.847 19.558 184 3HE MET 24 HE3 MET 24 11.321 28.722 20.223 185 H LEU 25 HN LEU 25 14.766 25.803 14.591 186 HA LEU 25 HA LEU 25 14.140 25.883 11.884 187 1HB LEU 25 HB2 LEU 25 16.528 26.000 13.705 188 2HB LEU 25 HB1 LEU 25 16.903 25.701 12.043 189 HG LEU 25 HG LEU 25 15.011 27.924 12.887 190 1HD1 LEU 25 HD11 LEU 25 17.269 28.252 13.979 191 2HD1 LEU 25 HD12 LEU 25 16.968 29.445 12.725 192 3HD1 LEU 25 HD13 LEU 25 18.024 28.088 12.414 193 1HD2 LEU 25 HD21 LEU 25 15.792 28.753 10.600 194 2HD2 LEU 25 HD22 LEU 25 15.145 27.115 10.481 195 3HD2 LEU 25 HD23 LEU 25 16.877 27.394 10.529 196 H PHE 26 HN PHE 26 15.860 23.478 13.709 197 HA PHE 26 HA PHE 26 16.569 21.642 11.678 198 1HB PHE 26 HB2 PHE 26 17.319 21.748 14.105 199 2HB PHE 26 HB1 PHE 26 15.779 21.120 14.623 200 HD1 PHE 26 HD1 PHE 26 19.024 20.334 13.201 201 HD2 PHE 26 HD2 PHE 26 15.176 18.737 14.053 202 HE1 PHE 26 HE1 PHE 26 19.913 18.085 12.939 203 HE2 PHE 26 HE2 PHE 26 16.073 16.460 13.787 204 HZ PHE 26 HZ PHE 26 18.446 16.125 13.239 205 H ILE 27 HN ILE 27 13.835 21.744 13.876 206 HA ILE 27 HA ILE 27 12.248 19.707 12.661 207 HB ILE 27 HB ILE 27 11.601 22.230 14.246 208 1HG1 ILE 27 HG12 ILE 27 12.791 20.598 15.574 209 2HG1 ILE 27 HG11 ILE 27 11.144 20.715 16.147 210 1HG2 ILE 27 HG21 ILE 27 9.592 20.032 13.571 211 2HG2 ILE 27 HG22 ILE 27 9.540 21.648 12.902 212 3HG2 ILE 27 HG23 ILE 27 9.268 21.385 14.608 213 1HD1 ILE 27 HD1 ILE 27 10.594 18.594 14.912 214 2HD1 ILE 27 HD2 ILE 27 11.936 18.342 16.013 215 3HD1 ILE 27 HD3 ILE 27 12.247 18.525 14.298 216 H TYR 28 HN TYR 28 11.232 22.989 12.506 217 HA TYR 28 HA TYR 28 9.759 23.273 10.307 218 1HB TYR 28 HB2 TYR 28 10.967 25.242 11.459 219 2HB TYR 28 HB1 TYR 28 12.251 25.033 10.270 220 HD1 TYR 28 HD1 TYR 28 8.601 25.567 10.681 221 HD2 TYR 28 HD2 TYR 28 11.852 25.678 7.921 222 HE1 TYR 28 HE1 TYR 28 7.144 26.599 9.009 223 HE2 TYR 28 HE2 TYR 28 10.392 26.728 6.252 224 HH TYR 28 HH TYR 28 7.707 28.215 6.934 225 H SER 29 HN SER 29 13.351 23.197 9.613 226 HA SER 29 HA SER 29 13.148 22.999 6.889 227 1HB SER 29 HB2 SER 29 15.600 22.353 7.232 228 2HB SER 29 HB1 SER 29 15.168 23.664 8.301 229 HG SER 29 HG1 SER 29 14.905 22.234 9.970 230 H HIS 30 HN HIS 30 13.874 20.452 9.173 231 HA HIS 30 HA HIS 30 13.750 18.270 7.352 232 1HB HIS 30 HB2 HIS 30 13.390 18.471 10.381 233 2HB HIS 30 HB1 HIS 30 13.537 16.930 9.555 234 HD1 HIS 30 HD1 HIS 30 15.621 20.106 9.616 235 HD2 HIS 30 HD2 HIS 30 16.047 16.043 9.584 236 HE1 HIS 30 HE1 HIS 30 18.065 19.650 9.718 237 H TYR 31 HN TYR 31 11.215 19.779 9.242 238 HA TYR 31 HA TYR 31 9.204 17.767 8.763 239 1HB TYR 31 HB2 TYR 31 8.958 19.680 10.502 240 2HB TYR 31 HB1 TYR 31 8.722 20.773 9.177 241 HD1 TYR 31 HD1 TYR 31 6.648 20.766 7.898 242 HD2 TYR 31 HD2 TYR 31 7.355 17.704 10.808 243 HE1 TYR 31 HE1 TYR 31 4.308 19.970 7.708 244 HE2 TYR 31 HE2 TYR 31 5.075 16.978 10.575 245 HH TYR 31 HH TYR 31 3.290 17.167 8.550 246 H LYS 32 HN LYS 32 10.048 20.804 7.268 247 HA LYS 32 HA LYS 32 8.110 20.644 5.086 248 1HB LYS 32 HB2 LYS 32 10.845 22.016 5.108 249 2HB LYS 32 HB1 LYS 32 9.589 22.204 3.909 250 1HG LYS 32 HG2 LYS 32 9.184 22.948 6.781 251 2HG LYS 32 HG1 LYS 32 9.637 24.038 5.494 252 1HD LYS 32 HD2 LYS 32 7.608 23.649 4.242 253 2HD LYS 32 HD1 LYS 32 7.108 22.322 5.261 254 1HE LYS 32 HE2 LYS 32 6.136 23.660 6.748 255 2HE LYS 32 HE1 LYS 32 7.607 24.582 6.946 256 1HZ LYS 32 HZ1 LYS 32 6.491 25.196 4.420 257 2HZ LYS 32 HZ2 LYS 32 6.786 26.202 5.768 258 3HZ LYS 32 HZ3 LYS 32 5.292 25.389 5.605 259 H GLN 33 HN GLN 33 11.586 19.815 5.057 260 HA GLN 33 HA GLN 33 11.521 18.587 2.500 261 1HB GLN 33 HB2 GLN 33 13.526 19.051 4.223 262 2HB GLN 33 HB1 GLN 33 13.208 17.424 4.779 263 1HG GLN 33 HG2 GLN 33 15.028 17.645 3.001 264 2HG GLN 33 HG1 GLN 33 13.762 16.502 2.580 265 1HE2 GLN 33 HE21 GLN 33 14.117 16.763 0.371 266 2HE2 GLN 33 HE22 GLN 33 13.673 18.148 -0.492 267 H ALA 34 HN ALA 34 10.709 17.052 5.621 268 HA ALA 34 HA ALA 34 10.213 14.448 4.534 269 1HB ALA 34 HB1 ALA 34 9.307 15.804 7.093 270 2HB ALA 34 HB2 ALA 34 10.779 14.875 6.896 271 3HB ALA 34 HB3 ALA 34 9.214 14.072 6.807 272 H THR 35 HN THR 35 7.957 17.121 5.108 273 HA THR 35 HA THR 35 5.762 15.435 3.956 274 HB THR 35 HB THR 35 4.109 17.080 4.957 275 HG1 THR 35 HG1 THR 35 6.558 18.135 5.988 276 1HG2 THR 35 HG21 THR 35 6.257 16.214 6.910 277 2HG2 THR 35 HG22 THR 35 4.972 15.152 6.342 278 3HG2 THR 35 HG23 THR 35 4.583 16.576 7.291 279 H VAL 36 HN VAL 36 7.019 18.589 3.551 280 HA VAL 36 HA VAL 36 5.160 19.177 1.281 281 HB VAL 36 HB VAL 36 7.431 20.815 2.541 282 1HG1 VAL 36 HG11 VAL 36 6.996 21.561 0.158 283 2HG1 VAL 36 HG12 VAL 36 6.425 22.767 1.297 284 3HG1 VAL 36 HG13 VAL 36 5.287 21.690 0.514 285 1HG2 VAL 36 HG21 VAL 36 4.390 21.019 2.854 286 2HG2 VAL 36 HG22 VAL 36 5.551 22.134 3.548 287 3HG2 VAL 36 HG23 VAL 36 5.524 20.456 4.075 288 H GLY 37 HN GLY 37 8.467 18.653 1.903 289 1HA GLY 37 HA2 GLY 37 9.904 17.254 0.454 290 2HA GLY 37 HA1 GLY 37 9.095 17.971 -0.948 291 H ASP 38 HN ASP 38 11.135 18.420 -1.764 292 HA ASP 38 HA ASP 38 13.177 19.917 -0.713 293 1HB ASP 38 HB2 ASP 38 12.121 20.041 -3.612 294 2HB ASP 38 HB1 ASP 38 13.780 20.085 -3.004 295 H ILE 39 HN ILE 39 13.631 22.381 -1.478 296 HA ILE 39 HA ILE 39 11.218 23.879 -0.550 297 HB ILE 39 HB ILE 39 13.371 23.982 0.585 298 1HG1 ILE 39 HG12 ILE 39 12.287 26.567 -0.561 299 2HG1 ILE 39 HG11 ILE 39 11.448 25.573 0.579 300 1HG2 ILE 39 HG21 ILE 39 14.946 23.927 -1.331 301 2HG2 ILE 39 HG22 ILE 39 15.124 25.439 -0.454 302 3HG2 ILE 39 HG23 ILE 39 14.292 25.427 -1.958 303 1HD1 ILE 39 HD1 ILE 39 13.426 25.740 2.139 304 2HD1 ILE 39 HD2 ILE 39 12.779 27.316 1.846 305 3HD1 ILE 39 HD3 ILE 39 14.246 26.806 1.040 306 H ASN 40 HN ASN 40 9.845 24.428 -2.174 307 HA ASN 40 HA ASN 40 10.959 25.585 -4.668 308 1HB ASN 40 HB2 ASN 40 9.079 24.318 -5.812 309 2HB ASN 40 HB1 ASN 40 10.163 23.202 -4.979 310 1HD2 ASN 40 HD21 ASN 40 6.946 23.342 -5.465 311 2HD2 ASN 40 HD22 ASN 40 6.489 22.832 -3.889 312 H THR 41 HN THR 41 9.914 26.423 -2.000 313 HA THR 41 HA THR 41 7.457 27.773 -2.325 314 HB THR 41 HB THR 41 8.192 28.870 -0.101 315 HG1 THR 41 HG1 THR 41 10.122 27.168 0.320 316 1HG2 THR 41 HG21 THR 41 8.549 25.833 -0.324 317 2HG2 THR 41 HG22 THR 41 6.979 26.610 -0.227 318 3HG2 THR 41 HG23 THR 41 8.095 26.746 1.112 319 H GLU 42 HN GLU 42 10.714 29.379 -2.215 320 HA GLU 42 HA GLU 42 10.946 31.297 -3.612 321 1HB GLU 42 HB2 GLU 42 8.359 32.097 -2.226 322 2HB GLU 42 HB1 GLU 42 9.588 33.268 -2.661 323 1HG GLU 42 HG2 GLU 42 8.453 31.363 -4.770 324 2HG GLU 42 HG1 GLU 42 7.942 33.035 -4.579 325 H ARG 43 HN ARG 43 12.668 31.486 -2.652 326 HA ARG 43 HA ARG 43 13.095 31.870 0.161 327 1HB ARG 43 HB2 ARG 43 14.733 30.780 -1.290 328 2HB ARG 43 HB1 ARG 43 14.893 32.221 -2.194 329 1HG ARG 43 HG2 ARG 43 15.607 33.340 0.119 330 2HG ARG 43 HG1 ARG 43 15.578 31.694 0.724 331 1HD ARG 43 HD2 ARG 43 17.335 31.172 -1.000 332 2HD ARG 43 HD1 ARG 43 17.329 32.909 -1.366 333 HE ARG 43 HE ARG 43 17.716 31.892 1.464 334 1HH1 ARG 43 HH11 ARG 43 17.789 34.770 0.193 335 2HH1 ARG 43 HH12 ARG 43 19.443 35.119 0.597 336 1HH2 ARG 43 HH21 ARG 43 19.798 31.677 1.352 337 2HH2 ARG 43 HH22 ARG 43 20.784 33.125 1.308 338 HA PRO 44 HA PRO 44 12.669 36.252 0.197 339 1HB PRO 44 HB2 PRO 44 14.250 36.852 2.432 340 2HB PRO 44 HB1 PRO 44 12.622 36.207 2.548 341 1HG PRO 44 HG2 PRO 44 15.274 34.701 2.600 342 2HG PRO 44 HG1 PRO 44 13.891 34.577 3.705 343 1HD PRO 44 HD2 PRO 44 14.176 32.739 1.704 344 2HD PRO 44 HD1 PRO 44 12.574 33.288 2.073 345 H GLY 45 HN GLY 45 13.858 38.106 -0.153 346 1HA GLY 45 HA2 GLY 45 16.548 37.827 -1.489 347 2HA GLY 45 HA1 GLY 45 15.299 38.979 -2.012 348 H MET 46 HN MET 46 16.916 40.658 -1.568 349 HA MET 46 HA MET 46 18.396 41.336 0.601 350 1HB MET 46 HB2 MET 46 17.650 43.758 0.241 351 2HB MET 46 HB1 MET 46 18.255 42.909 -1.154 352 1HG MET 46 HG2 MET 46 16.419 43.725 -2.194 353 2HG MET 46 HG1 MET 46 15.540 42.456 -1.398 354 1HE MET 46 HE1 MET 46 15.439 46.677 -1.552 355 2HE MET 46 HE2 MET 46 16.935 45.790 -1.289 356 3HE MET 46 HE3 MET 46 16.186 46.613 0.059 357 H LEU 47 HN LEU 47 14.928 41.109 0.993 358 HA LEU 47 HA LEU 47 15.023 42.199 3.732 359 1HB LEU 47 HB2 LEU 47 12.766 41.466 1.827 360 2HB LEU 47 HB1 LEU 47 12.464 42.046 3.443 361 HG LEU 47 HG LEU 47 14.146 43.595 1.447 362 1HD1 LEU 47 HD11 LEU 47 11.765 43.388 0.647 363 2HD1 LEU 47 HD12 LEU 47 12.124 45.028 1.150 364 3HD1 LEU 47 HD13 LEU 47 11.201 43.970 2.204 365 1HD2 LEU 47 HD21 LEU 47 12.782 44.401 4.047 366 2HD2 LEU 47 HD22 LEU 47 13.697 45.466 3.003 367 3HD2 LEU 47 HD23 LEU 47 14.513 44.175 3.844 368 H ASP 48 HN ASP 48 15.532 40.789 5.210 369 HA ASP 48 HA ASP 48 14.544 37.948 5.062 370 1HB ASP 48 HB2 ASP 48 16.896 39.218 6.505 371 2HB ASP 48 HB1 ASP 48 16.460 37.527 6.727 372 H PHE 49 HN PHE 49 12.657 39.243 5.589 373 HA PHE 49 HA PHE 49 11.893 39.053 8.488 374 1HB PHE 49 HB2 PHE 49 10.608 40.706 6.254 375 2HB PHE 49 HB1 PHE 49 10.143 40.729 7.940 376 HD1 PHE 49 HD1 PHE 49 11.948 41.451 9.648 377 HD2 PHE 49 HD2 PHE 49 12.300 42.173 5.480 378 HE1 PHE 49 HE1 PHE 49 13.599 43.223 10.091 379 HE2 PHE 49 HE2 PHE 49 13.950 43.939 5.918 380 HZ PHE 49 HZ PHE 49 14.599 44.467 8.206 381 H LYS 50 HN LYS 50 11.818 37.500 5.716 382 HA LYS 50 HA LYS 50 9.056 36.453 5.667 383 1HB LYS 50 HB2 LYS 50 10.965 37.007 3.764 384 2HB LYS 50 HB1 LYS 50 11.214 35.285 3.939 385 1HG LYS 50 HG2 LYS 50 8.776 34.931 3.377 386 2HG LYS 50 HG1 LYS 50 8.601 36.665 3.107 387 1HD LYS 50 HD2 LYS 50 10.711 36.448 1.539 388 2HD LYS 50 HD1 LYS 50 10.479 34.724 1.613 389 1HE LYS 50 HE2 LYS 50 8.538 36.779 0.463 390 2HE LYS 50 HE1 LYS 50 9.595 35.727 -0.457 391 1HZ LYS 50 HZ1 LYS 50 8.127 34.099 1.311 392 2HZ LYS 50 HZ2 LYS 50 8.013 34.139 -0.371 393 3HZ LYS 50 HZ3 LYS 50 7.036 35.157 0.577 394 H GLY 51 HN GLY 51 12.010 35.644 6.978 395 1HA GLY 51 HA2 GLY 51 12.139 33.904 8.813 396 2HA GLY 51 HA1 GLY 51 11.040 32.897 7.856 397 H LYS 52 HN LYS 52 13.536 34.789 6.689 398 HA LYS 52 HA LYS 52 14.813 33.261 4.812 399 1HB LYS 52 HB2 LYS 52 15.399 35.581 5.389 400 2HB LYS 52 HB1 LYS 52 16.188 35.065 6.855 401 1HG LYS 52 HG2 LYS 52 17.301 33.411 4.815 402 2HG LYS 52 HG1 LYS 52 17.063 34.925 4.035 403 1HD LYS 52 HD2 LYS 52 18.375 36.167 5.660 404 2HD LYS 52 HD1 LYS 52 18.483 34.788 6.730 405 1HE LYS 52 HE2 LYS 52 19.506 34.866 3.880 406 2HE LYS 52 HE1 LYS 52 20.517 35.105 5.311 407 1HZ LYS 52 HZ1 LYS 52 20.572 32.837 5.548 408 2HZ LYS 52 HZ2 LYS 52 19.480 32.644 4.228 409 3HZ LYS 52 HZ3 LYS 52 18.894 32.844 5.750 410 H ALA 53 HN ALA 53 15.547 33.121 8.220 411 HA ALA 53 HA ALA 53 17.631 31.173 8.087 412 1HB ALA 53 HB1 ALA 53 15.533 31.766 10.248 413 2HB ALA 53 HB2 ALA 53 17.066 32.584 10.056 414 3HB ALA 53 HB3 ALA 53 17.041 30.895 10.540 415 H LYS 54 HN LYS 54 14.203 30.736 8.855 416 HA LYS 54 HA LYS 54 14.141 27.900 8.701 417 1HB LYS 54 HB2 LYS 54 12.095 30.086 8.413 418 2HB LYS 54 HB1 LYS 54 11.594 28.468 7.990 419 1HG LYS 54 HG2 LYS 54 11.011 28.777 10.282 420 2HG LYS 54 HG1 LYS 54 12.363 27.678 10.253 421 1HD LYS 54 HD2 LYS 54 13.962 29.446 10.886 422 2HD LYS 54 HD1 LYS 54 12.746 30.679 10.754 423 1HE LYS 54 HE2 LYS 54 12.605 28.346 12.723 424 2HE LYS 54 HE1 LYS 54 13.181 29.960 13.130 425 1HZ LYS 54 HZ1 LYS 54 11.021 30.644 13.281 426 2HZ LYS 54 HZ2 LYS 54 10.454 29.117 12.841 427 3HZ LYS 54 HZ3 LYS 54 10.857 30.233 11.638 428 H TRP 55 HN TRP 55 13.643 30.272 6.000 429 HA TRP 55 HA TRP 55 12.959 28.301 4.151 430 1HB TRP 55 HB2 TRP 55 12.746 30.858 3.913 431 2HB TRP 55 HB1 TRP 55 14.440 30.892 3.478 432 HD1 TRP 55 HD1 TRP 55 10.993 29.905 2.031 433 HE1 TRP 55 HE1 TRP 55 11.422 28.995 -0.269 434 HE3 TRP 55 HE3 TRP 55 16.038 29.713 1.984 435 HZ2 TRP 55 HZ2 TRP 55 13.545 28.313 -2.034 436 HZ3 TRP 55 HZ3 TRP 55 17.263 28.948 0.025 437 HH2 TRP 55 HH2 TRP 55 16.060 28.229 -1.989 438 H ASP 56 HN ASP 56 15.924 29.969 4.633 439 HA ASP 56 HA ASP 56 17.498 28.364 2.855 440 1HB ASP 56 HB2 ASP 56 18.080 30.201 5.198 441 2HB ASP 56 HB1 ASP 56 19.396 29.256 4.517 442 H ALA 57 HN ALA 57 16.929 27.917 6.329 443 HA ALA 57 HA ALA 57 18.539 25.720 6.806 444 1HB ALA 57 HB1 ALA 57 16.997 25.408 8.748 445 2HB ALA 57 HB2 ALA 57 15.827 26.466 7.973 446 3HB ALA 57 HB3 ALA 57 17.386 27.107 8.493 447 H TRP 58 HN TRP 58 15.334 25.963 5.331 448 HA TRP 58 HA TRP 58 15.057 22.982 5.262 449 1HB TRP 58 HB2 TRP 58 13.076 24.396 5.434 450 2HB TRP 58 HB1 TRP 58 13.552 25.288 4.038 451 HD1 TRP 58 HD1 TRP 58 14.081 21.447 3.453 452 HE1 TRP 58 HE1 TRP 58 12.112 20.798 1.965 453 HE3 TRP 58 HE3 TRP 58 11.301 25.587 3.791 454 HZ2 TRP 58 HZ2 TRP 58 9.600 21.889 0.991 455 HZ3 TRP 58 HZ3 TRP 58 9.137 25.823 2.650 456 HH2 TRP 58 HH2 TRP 58 8.303 23.978 1.220 457 H ASN 59 HN ASN 59 15.744 25.637 2.956 458 HA ASN 59 HA ASN 59 16.152 24.205 0.629 459 1HB ASN 59 HB2 ASN 59 16.292 26.688 0.736 460 2HB ASN 59 HB1 ASN 59 17.568 26.591 1.905 461 1HD2 ASN 59 HD21 ASN 59 18.994 27.952 0.763 462 2HD2 ASN 59 HD22 ASN 59 19.684 27.408 -0.706 463 H GLU 60 HN GLU 60 18.323 24.657 3.255 464 HA GLU 60 HA GLU 60 20.713 23.488 2.522 465 1HB GLU 60 HB2 GLU 60 20.184 24.639 4.683 466 2HB GLU 60 HB1 GLU 60 19.257 23.246 5.178 467 1HG GLU 60 HG2 GLU 60 21.444 21.867 4.871 468 2HG GLU 60 HG1 GLU 60 22.261 23.420 4.777 469 H LEU 61 HN LEU 61 17.759 22.015 3.465 470 HA LEU 61 HA LEU 61 18.654 19.217 3.310 471 1HB LEU 61 HB2 LEU 61 15.889 20.204 3.946 472 2HB LEU 61 HB1 LEU 61 16.579 18.636 4.306 473 HG LEU 61 HG LEU 61 17.419 21.283 5.574 474 1HD1 LEU 61 HD11 LEU 61 15.164 20.382 6.174 475 2HD1 LEU 61 HD12 LEU 61 16.291 20.312 7.530 476 3HD1 LEU 61 HD13 LEU 61 15.909 18.850 6.630 477 1HD2 LEU 61 HD21 LEU 61 19.299 19.645 5.489 478 2HD2 LEU 61 HD22 LEU 61 18.279 18.415 6.237 479 3HD2 LEU 61 HD23 LEU 61 18.716 19.878 7.116 480 H LYS 62 HN LYS 62 17.257 21.522 1.166 481 HA LYS 62 HA LYS 62 15.333 20.726 -0.213 482 1HB LYS 62 HB2 LYS 62 16.780 22.452 -1.112 483 2HB LYS 62 HB1 LYS 62 18.116 21.354 -1.252 484 1HG LYS 62 HG2 LYS 62 16.874 20.135 -3.145 485 2HG LYS 62 HG1 LYS 62 15.527 21.209 -2.929 486 1HD LYS 62 HD2 LYS 62 16.903 21.767 -4.894 487 2HD LYS 62 HD1 LYS 62 16.802 23.092 -3.753 488 1HE LYS 62 HE2 LYS 62 19.026 22.986 -3.146 489 2HE LYS 62 HE1 LYS 62 19.141 21.249 -3.405 490 1HZ LYS 62 HZ1 LYS 62 18.462 22.437 -5.846 491 2HZ LYS 62 HZ2 LYS 62 19.902 21.630 -5.481 492 3HZ LYS 62 HZ3 LYS 62 19.810 23.316 -5.278 493 H GLY 63 HN GLY 63 17.957 18.371 -0.642 494 1HA GLY 63 HA2 GLY 63 15.867 16.763 -1.999 495 2HA GLY 63 HA1 GLY 63 17.511 16.840 -2.620 496 H THR 64 HN THR 64 17.339 17.006 0.654 497 HA THR 64 HA THR 64 18.671 14.457 1.125 498 HB THR 64 HB THR 64 17.819 16.734 2.918 499 HG1 THR 64 HG1 THR 64 19.912 16.926 2.802 500 1HG2 THR 64 HG21 THR 64 18.965 14.092 3.904 501 2HG2 THR 64 HG22 THR 64 17.325 14.617 4.301 502 3HG2 THR 64 HG23 THR 64 18.716 15.534 4.863 503 H SER 65 HN SER 65 17.873 12.610 1.479 504 HA SER 65 HA SER 65 15.515 11.446 1.199 505 1HB SER 65 HB2 SER 65 17.211 9.998 1.894 506 2HB SER 65 HB1 SER 65 17.517 10.940 3.339 507 HG SER 65 HG1 SER 65 16.261 9.204 3.982 508 H LYS 66 HN LYS 66 13.552 11.966 1.589 509 HA LYS 66 HA LYS 66 12.552 13.636 3.618 510 1HB LYS 66 HB2 LYS 66 11.277 11.420 1.894 511 2HB LYS 66 HB1 LYS 66 10.325 12.564 2.830 512 1HG LYS 66 HG2 LYS 66 11.091 14.463 1.591 513 2HG LYS 66 HG1 LYS 66 12.458 13.634 0.916 514 1HD LYS 66 HD2 LYS 66 10.905 12.263 -0.519 515 2HD LYS 66 HD1 LYS 66 9.526 12.985 0.273 516 1HE LYS 66 HE2 LYS 66 9.914 14.013 -1.966 517 2HE LYS 66 HE1 LYS 66 10.043 15.202 -0.693 518 1HZ LYS 66 HZ1 LYS 66 12.008 14.467 -2.619 519 2HZ LYS 66 HZ2 LYS 66 12.605 14.104 -1.070 520 3HZ LYS 66 HZ3 LYS 66 12.132 15.697 -1.519 521 H GLU 67 HN GLU 67 13.307 10.188 3.580 522 HA GLU 67 HA GLU 67 12.076 9.433 6.020 523 1HB GLU 67 HB2 GLU 67 14.072 8.277 4.043 524 2HB GLU 67 HB1 GLU 67 13.814 7.472 5.544 525 1HG GLU 67 HG2 GLU 67 11.291 7.328 4.945 526 2HG GLU 67 HG1 GLU 67 11.686 8.022 3.388 527 H ASP 68 HN ASP 68 15.423 10.496 5.087 528 HA ASP 68 HA ASP 68 16.625 10.047 7.593 529 1HB ASP 68 HB2 ASP 68 17.038 11.883 5.236 530 2HB ASP 68 HB1 ASP 68 18.193 11.894 6.498 531 H ALA 69 HN ALA 69 15.118 12.690 6.133 532 HA ALA 69 HA ALA 69 15.226 14.654 8.197 533 1HB ALA 69 HB1 ALA 69 12.894 14.110 6.259 534 2HB ALA 69 HB2 ALA 69 14.320 15.028 5.873 535 3HB ALA 69 HB3 ALA 69 13.192 15.635 7.067 536 H MET 70 HN MET 70 12.519 12.375 7.454 537 HA MET 70 HA MET 70 11.052 12.536 9.715 538 1HB MET 70 HB2 MET 70 11.883 10.307 7.902 539 2HB MET 70 HB1 MET 70 10.981 9.892 9.278 540 1HG MET 70 HG2 MET 70 9.348 11.751 8.364 541 2HG MET 70 HG1 MET 70 10.339 11.789 6.975 542 1HE MET 70 HE1 MET 70 7.369 10.621 5.417 543 2HE MET 70 HE2 MET 70 7.997 11.926 6.396 544 3HE MET 70 HE3 MET 70 6.828 10.802 7.101 545 H LYS 71 HN LYS 71 13.732 10.314 9.421 546 HA LYS 71 HA LYS 71 13.866 9.264 11.983 547 1HB LYS 71 HB2 LYS 71 15.718 9.662 9.681 548 2HB LYS 71 HB1 LYS 71 16.525 9.306 11.183 549 1HG LYS 71 HG2 LYS 71 16.003 7.373 9.759 550 2HG LYS 71 HG1 LYS 71 15.393 7.232 11.413 551 1HD LYS 71 HD2 LYS 71 13.095 8.011 10.277 552 2HD LYS 71 HD1 LYS 71 13.918 7.653 8.771 553 1HE LYS 71 HE2 LYS 71 12.772 5.635 9.397 554 2HE LYS 71 HE1 LYS 71 14.467 5.333 9.788 555 1HZ LYS 71 HZ1 LYS 71 13.896 5.201 12.055 556 2HZ LYS 71 HZ2 LYS 71 12.270 5.286 11.547 557 3HZ LYS 71 HZ3 LYS 71 13.050 6.670 11.906 558 H ALA 72 HN ALA 72 16.074 11.867 10.841 559 HA ALA 72 HA ALA 72 17.163 12.541 13.248 560 1HB ALA 72 HB1 ALA 72 17.924 13.151 10.964 561 2HB ALA 72 HB2 ALA 72 17.735 14.612 11.915 562 3HB ALA 72 HB3 ALA 72 16.501 14.150 10.748 563 H TYR 73 HN TYR 73 14.251 13.841 11.690 564 HA TYR 73 HA TYR 73 13.620 15.854 13.547 565 1HB TYR 73 HB2 TYR 73 12.800 15.628 11.230 566 2HB TYR 73 HB1 TYR 73 12.066 14.111 11.619 567 HD1 TYR 73 HD1 TYR 73 10.015 14.089 13.224 568 HD2 TYR 73 HD2 TYR 73 11.695 17.617 11.541 569 HE1 TYR 73 HE1 TYR 73 7.912 15.339 13.657 570 HE2 TYR 73 HE2 TYR 73 9.666 18.808 11.966 571 HH TYR 73 HH TYR 73 7.658 18.728 12.958 572 H ILE 74 HN ILE 74 12.328 12.654 13.242 573 HA ILE 74 HA ILE 74 10.606 12.543 15.466 574 HB ILE 74 HB ILE 74 12.271 10.333 14.202 575 1HG1 ILE 74 HG12 ILE 74 9.317 10.798 13.915 576 2HG1 ILE 74 HG11 ILE 74 10.392 11.761 12.924 577 1HG2 ILE 74 HG21 ILE 74 11.473 9.720 16.536 578 2HG2 ILE 74 HG22 ILE 74 10.611 8.809 15.335 579 3HG2 ILE 74 HG23 ILE 74 9.835 10.180 16.103 580 1HD1 ILE 74 HD1 ILE 74 9.797 9.656 11.720 581 2HD1 ILE 74 HD2 ILE 74 10.375 8.767 13.115 582 3HD1 ILE 74 HD3 ILE 74 11.495 9.644 12.130 583 H ASP 75 HN ASP 75 13.920 11.350 15.295 584 HA ASP 75 HA ASP 75 14.145 10.738 18.041 585 1HB ASP 75 HB2 ASP 75 15.955 11.377 15.695 586 2HB ASP 75 HB1 ASP 75 16.657 11.143 17.273 587 H LYS 76 HN LYS 76 14.885 13.593 16.171 588 HA LYS 76 HA LYS 76 15.833 15.254 18.243 589 1HB LYS 76 HB2 LYS 76 15.482 15.930 15.689 590 2HB LYS 76 HB1 LYS 76 13.886 16.232 16.130 591 1HG LYS 76 HG2 LYS 76 15.176 18.439 16.273 592 2HG LYS 76 HG1 LYS 76 14.028 18.018 17.495 593 1HD LYS 76 HD2 LYS 76 15.628 18.689 18.968 594 2HD LYS 76 HD1 LYS 76 16.263 17.101 18.797 595 1HE LYS 76 HE2 LYS 76 17.269 19.647 17.528 596 2HE LYS 76 HE1 LYS 76 18.123 18.546 18.599 597 1HZ LYS 76 HZ1 LYS 76 17.075 17.167 16.332 598 2HZ LYS 76 HZ2 LYS 76 18.685 17.244 16.866 599 3HZ LYS 76 HZ3 LYS 76 18.077 18.436 15.814 600 H VAL 77 HN VAL 77 12.409 14.861 17.267 601 HA VAL 77 HA VAL 77 11.377 16.511 19.354 602 HB VAL 77 HB VAL 77 10.110 14.236 17.740 603 1HG1 VAL 77 HG11 VAL 77 8.805 14.950 19.744 604 2HG1 VAL 77 HG12 VAL 77 8.012 15.413 18.247 605 3HG1 VAL 77 HG13 VAL 77 8.867 16.624 19.192 606 1HG2 VAL 77 HG21 VAL 77 11.067 16.107 16.295 607 2HG2 VAL 77 HG22 VAL 77 10.166 17.274 17.248 608 3HG2 VAL 77 HG23 VAL 77 9.318 16.113 16.268 609 H GLU 78 HN GLU 78 11.667 12.978 19.113 610 HA GLU 78 HA GLU 78 10.644 12.167 21.569 611 1HB GLU 78 HB2 GLU 78 11.373 10.532 20.005 612 2HB GLU 78 HB1 GLU 78 12.968 11.223 19.834 613 1HG GLU 78 HG2 GLU 78 12.767 8.988 21.163 614 2HG GLU 78 HG1 GLU 78 13.718 10.242 21.925 615 H GLU 79 HN GLU 79 13.897 13.424 20.810 616 HA GLU 79 HA GLU 79 14.936 13.431 23.460 617 1HB GLU 79 HB2 GLU 79 15.611 14.691 20.769 618 2HB GLU 79 HB1 GLU 79 16.544 15.128 22.185 619 1HG GLU 79 HG2 GLU 79 16.128 12.167 21.547 620 2HG GLU 79 HG1 GLU 79 17.371 13.075 20.704 621 H LEU 80 HN LEU 80 13.482 16.042 21.417 622 HA LEU 80 HA LEU 80 13.514 18.111 23.373 623 1HB LEU 80 HB2 LEU 80 11.083 17.502 21.582 624 2HB LEU 80 HB1 LEU 80 11.436 19.045 22.330 625 HG LEU 80 HG LEU 80 12.829 17.814 19.926 626 1HD1 LEU 80 HD11 LEU 80 11.825 19.863 18.888 627 2HD1 LEU 80 HD12 LEU 80 11.168 20.305 20.462 628 3HD1 LEU 80 HD13 LEU 80 10.582 18.862 19.641 629 1HD2 LEU 80 HD21 LEU 80 13.436 20.462 21.288 630 2HD2 LEU 80 HD22 LEU 80 14.137 19.868 19.800 631 3HD2 LEU 80 HD23 LEU 80 14.495 19.071 21.309 632 H LYS 81 HN LYS 81 10.996 15.725 22.980 633 HA LYS 81 HA LYS 81 9.484 16.458 25.186 634 1HB LYS 81 HB2 LYS 81 8.812 14.944 23.523 635 2HB LYS 81 HB1 LYS 81 10.084 13.794 23.791 636 1HG LYS 81 HG2 LYS 81 8.002 14.580 25.915 637 2HG LYS 81 HG1 LYS 81 7.628 13.365 24.728 638 1HD LYS 81 HD2 LYS 81 10.163 12.982 26.373 639 2HD LYS 81 HD1 LYS 81 8.630 12.689 27.146 640 1HE LYS 81 HE2 LYS 81 9.347 10.597 26.269 641 2HE LYS 81 HE1 LYS 81 8.070 11.123 25.190 642 1HZ LYS 81 HZ1 LYS 81 10.706 10.498 24.470 643 2HZ LYS 81 HZ2 LYS 81 10.635 12.140 24.258 644 3HZ LYS 81 HZ3 LYS 81 9.576 11.072 23.485 645 H LYS 82 HN LYS 82 12.449 14.497 24.978 646 HA LYS 82 HA LYS 82 12.390 13.960 27.891 647 1HB LYS 82 HB2 LYS 82 14.914 14.328 26.218 648 2HB LYS 82 HB1 LYS 82 14.836 13.619 27.816 649 1HG LYS 82 HG2 LYS 82 13.398 11.815 26.866 650 2HG LYS 82 HG1 LYS 82 13.590 12.538 25.274 651 1HD LYS 82 HD2 LYS 82 16.166 12.540 25.767 652 2HD LYS 82 HD1 LYS 82 15.819 11.422 27.062 653 1HE LYS 82 HE2 LYS 82 15.086 11.036 24.143 654 2HE LYS 82 HE1 LYS 82 16.435 10.250 24.966 655 1HZ LYS 82 HZ1 LYS 82 13.704 9.617 24.989 656 2HZ LYS 82 HZ2 LYS 82 14.147 10.051 26.554 657 3HZ LYS 82 HZ3 LYS 82 14.956 8.743 25.792 658 H LYS 83 HN LYS 83 14.103 16.430 26.015 659 HA LYS 83 HA LYS 83 15.312 17.915 28.016 660 1HB LYS 83 HB2 LYS 83 15.655 18.114 25.552 661 2HB LYS 83 HB1 LYS 83 14.173 18.953 25.422 662 1HG LYS 83 HG2 LYS 83 16.012 20.588 25.462 663 2HG LYS 83 HG1 LYS 83 14.855 20.861 26.731 664 1HD LYS 83 HD2 LYS 83 16.609 19.377 28.212 665 2HD LYS 83 HD1 LYS 83 17.700 19.759 26.900 666 1HE LYS 83 HE2 LYS 83 18.016 21.428 28.584 667 2HE LYS 83 HE1 LYS 83 17.113 22.211 27.292 668 1HZ LYS 83 HZ1 LYS 83 16.290 21.912 29.982 669 2HZ LYS 83 HZ2 LYS 83 15.264 20.921 29.048 670 3HZ LYS 83 HZ3 LYS 83 15.401 22.548 28.661 671 H TYR 84 HN TYR 84 12.378 18.564 26.582 672 HA TYR 84 HA TYR 84 11.656 20.700 28.564 673 1HB TYR 84 HB2 TYR 84 10.341 20.145 25.859 674 2HB TYR 84 HB1 TYR 84 9.968 21.449 26.959 675 HD1 TYR 84 HD1 TYR 84 12.317 20.300 24.379 676 HD2 TYR 84 HD2 TYR 84 11.639 23.238 27.401 677 HE1 TYR 84 HE1 TYR 84 14.061 21.740 23.417 678 HE2 TYR 84 HE2 TYR 84 13.365 24.653 26.399 679 HH TYR 84 HH TYR 84 14.920 23.809 23.453 680 H GLY 85 HN GLY 85 10.448 17.511 27.580 681 1HA GLY 85 HA2 GLY 85 8.926 16.319 28.975 682 2HA GLY 85 HA1 GLY 85 8.487 17.801 29.804 683 H ILE 86 HN ILE 86 7.350 19.459 27.625 684 HA ILE 86 HA ILE 86 5.654 18.013 25.972 685 HB ILE 86 HB ILE 86 4.655 17.488 28.153 686 1HG1 ILE 86 HG12 ILE 86 2.958 19.657 26.840 687 2HG1 ILE 86 HG11 ILE 86 3.300 18.147 26.057 688 1HG2 ILE 86 HG21 ILE 86 5.490 19.255 29.598 689 2HG2 ILE 86 HG22 ILE 86 3.738 19.228 29.711 690 3HG2 ILE 86 HG23 ILE 86 4.544 20.466 28.757 691 1HD1 ILE 86 HD1 ILE 86 2.234 16.879 27.911 692 2HD1 ILE 86 HD2 ILE 86 1.100 18.020 27.214 693 3HD1 ILE 86 HD3 ILE 86 1.872 18.380 28.751 Start of MODEL 9 1 1H SER 1 HT1 SER 1 8.175 5.036 10.808 2 2H SER 1 HT2 SER 1 8.830 3.728 9.950 3 3H SER 1 HT3 SER 1 7.485 3.550 10.985 4 HA SER 1 HA SER 1 7.439 4.232 8.210 5 1HB SER 1 HB2 SER 1 5.693 2.761 9.481 6 2HB SER 1 HB1 SER 1 5.103 4.248 10.232 7 HG SER 1 HG1 SER 1 4.521 3.399 7.782 8 H GLN 2 HN GLN 2 5.160 6.015 8.193 9 HA GLN 2 HA GLN 2 6.659 8.538 8.832 10 1HB GLN 2 HB2 GLN 2 5.368 9.628 7.275 11 2HB GLN 2 HB1 GLN 2 5.183 8.024 6.619 12 1HG GLN 2 HG2 GLN 2 2.900 7.836 7.489 13 2HG GLN 2 HG1 GLN 2 3.118 9.215 8.551 14 1HE2 GLN 2 HE21 GLN 2 2.699 11.260 7.724 15 2HE2 GLN 2 HE22 GLN 2 2.292 11.538 6.079 16 H ALA 3 HN ALA 3 4.018 6.595 10.027 17 HA ALA 3 HA ALA 3 2.456 8.363 11.481 18 1HB ALA 3 HB1 ALA 3 3.564 5.639 12.351 19 2HB ALA 3 HB2 ALA 3 2.131 5.887 11.356 20 3HB ALA 3 HB3 ALA 3 2.131 6.400 13.035 21 H GLU 4 HN GLU 4 5.505 6.922 12.536 22 HA GLU 4 HA GLU 4 5.771 8.242 15.021 23 1HB GLU 4 HB2 GLU 4 8.004 7.719 13.148 24 2HB GLU 4 HB1 GLU 4 8.152 7.689 14.880 25 1HG GLU 4 HG2 GLU 4 7.981 5.384 14.815 26 2HG GLU 4 HG1 GLU 4 6.274 5.691 14.667 27 H PHE 5 HN PHE 5 6.385 9.375 11.901 28 HA PHE 5 HA PHE 5 7.856 11.846 12.667 29 1HB PHE 5 HB2 PHE 5 8.287 10.830 10.438 30 2HB PHE 5 HB1 PHE 5 6.577 10.959 10.076 31 HD1 PHE 5 HD1 PHE 5 9.629 12.964 10.657 32 HD2 PHE 5 HD2 PHE 5 5.588 12.980 9.410 33 HE1 PHE 5 HE1 PHE 5 9.899 15.269 9.751 34 HE2 PHE 5 HE2 PHE 5 5.807 15.201 8.549 35 HZ PHE 5 HZ PHE 5 7.940 16.363 8.674 36 H ASP 6 HN ASP 6 4.627 11.215 11.205 37 HA ASP 6 HA ASP 6 3.541 13.746 11.424 38 1HB ASP 6 HB2 ASP 6 2.251 11.024 11.955 39 2HB ASP 6 HB1 ASP 6 1.488 12.494 11.381 40 H LYS 7 HN LYS 7 3.633 11.084 13.623 41 HA LYS 7 HA LYS 7 2.461 12.218 15.919 42 1HB LYS 7 HB2 LYS 7 3.179 9.821 15.794 43 2HB LYS 7 HB1 LYS 7 4.854 10.317 15.755 44 1HG LYS 7 HG2 LYS 7 3.942 11.646 18.063 45 2HG LYS 7 HG1 LYS 7 2.927 10.245 18.059 46 1HD LYS 7 HD2 LYS 7 4.643 8.777 18.617 47 2HD LYS 7 HD1 LYS 7 5.781 9.557 17.526 48 1HE LYS 7 HE2 LYS 7 5.812 11.504 19.207 49 2HE LYS 7 HE1 LYS 7 4.972 10.438 20.317 50 1HZ LYS 7 HZ1 LYS 7 7.045 8.935 19.279 51 2HZ LYS 7 HZ2 LYS 7 7.001 9.606 20.840 52 3HZ LYS 7 HZ3 LYS 7 7.734 10.461 19.546 53 H ALA 8 HN ALA 8 6.055 12.182 14.964 54 HA ALA 8 HA ALA 8 6.730 13.933 17.066 55 1HB ALA 8 HB1 ALA 8 8.337 12.786 15.643 56 2HB ALA 8 HB2 ALA 8 8.711 14.500 15.540 57 3HB ALA 8 HB3 ALA 8 7.854 13.704 14.228 58 H ALA 9 HN ALA 9 5.595 14.768 14.001 59 HA ALA 9 HA ALA 9 5.755 17.657 14.194 60 1HB ALA 9 HB1 ALA 9 3.748 15.989 12.609 61 2HB ALA 9 HB2 ALA 9 5.360 16.421 12.069 62 3HB ALA 9 HB3 ALA 9 4.141 17.671 12.269 63 H GLU 10 HN GLU 10 3.078 15.459 15.148 64 HA GLU 10 HA GLU 10 1.481 17.727 15.990 65 1HB GLU 10 HB2 GLU 10 1.268 14.718 16.488 66 2HB GLU 10 HB1 GLU 10 -0.013 15.880 16.796 67 1HG GLU 10 HG2 GLU 10 1.021 14.888 14.115 68 2HG GLU 10 HG1 GLU 10 -0.636 15.219 14.579 69 H GLU 11 HN GLU 11 3.735 15.351 17.593 70 HA GLU 11 HA GLU 11 3.189 16.103 20.192 71 1HB GLU 11 HB2 GLU 11 5.913 15.655 18.840 72 2HB GLU 11 HB1 GLU 11 5.609 15.627 20.537 73 1HG GLU 11 HG2 GLU 11 4.590 13.495 18.654 74 2HG GLU 11 HG1 GLU 11 6.053 13.397 19.617 75 H VAL 12 HN VAL 12 5.479 17.533 17.846 76 HA VAL 12 HA VAL 12 6.291 19.713 19.469 77 HB VAL 12 HB VAL 12 6.742 18.837 16.872 78 1HG1 VAL 12 HG11 VAL 12 6.582 20.805 15.376 79 2HG1 VAL 12 HG12 VAL 12 5.715 21.714 16.597 80 3HG1 VAL 12 HG13 VAL 12 4.982 20.303 15.852 81 1HG2 VAL 12 HG21 VAL 12 7.712 21.371 18.249 82 2HG2 VAL 12 HG22 VAL 12 8.470 20.649 16.833 83 3HG2 VAL 12 HG23 VAL 12 8.430 19.762 18.340 84 H LYS 13 HN LYS 13 3.542 19.688 17.111 85 HA LYS 13 HA LYS 13 2.692 22.296 17.744 86 1HB LYS 13 HB2 LYS 13 1.020 19.836 17.154 87 2HB LYS 13 HB1 LYS 13 0.399 21.481 17.115 88 1HG LYS 13 HG2 LYS 13 1.979 22.110 15.353 89 2HG LYS 13 HG1 LYS 13 2.763 20.546 15.436 90 1HD LYS 13 HD2 LYS 13 0.462 19.520 14.968 91 2HD LYS 13 HD1 LYS 13 -0.132 21.120 14.654 92 1HE LYS 13 HE2 LYS 13 0.407 19.963 12.563 93 2HE LYS 13 HE1 LYS 13 1.446 21.371 12.763 94 1HZ LYS 13 HZ1 LYS 13 2.620 19.110 14.015 95 2HZ LYS 13 HZ2 LYS 13 3.251 19.955 12.668 96 3HZ LYS 13 HZ3 LYS 13 2.154 18.633 12.515 97 H HIS 14 HN HIS 14 2.771 19.773 19.942 98 HA HIS 14 HA HIS 14 0.900 21.210 21.797 99 1HB HIS 14 HB2 HIS 14 1.545 18.230 21.734 100 2HB HIS 14 HB1 HIS 14 0.508 18.997 22.926 101 HD1 HIS 14 HD1 HIS 14 0.700 18.250 19.385 102 HD2 HIS 14 HD2 HIS 14 -2.152 19.474 22.006 103 HE1 HIS 14 HE1 HIS 14 -1.476 18.137 18.153 104 H LEU 15 HN LEU 15 4.102 21.344 21.493 105 HA LEU 15 HA LEU 15 4.959 20.240 24.046 106 1HB LEU 15 HB2 LEU 15 6.067 22.541 22.367 107 2HB LEU 15 HB1 LEU 15 6.911 21.867 23.737 108 HG LEU 15 HG LEU 15 6.059 20.200 21.348 109 1HD1 LEU 15 HD11 LEU 15 8.475 20.393 20.686 110 2HD1 LEU 15 HD12 LEU 15 8.783 21.457 22.043 111 3HD1 LEU 15 HD13 LEU 15 7.747 21.989 20.719 112 1HD2 LEU 15 HD21 LEU 15 6.498 18.927 23.450 113 2HD2 LEU 15 HD22 LEU 15 8.024 19.748 23.632 114 3HD2 LEU 15 HD23 LEU 15 7.778 18.638 22.295 115 H LYS 16 HN LYS 16 5.002 21.223 26.134 116 HA LYS 16 HA LYS 16 3.282 23.624 26.311 117 1HB LYS 16 HB2 LYS 16 3.058 21.447 27.765 118 2HB LYS 16 HB1 LYS 16 4.500 22.040 28.570 119 1HG LYS 16 HG2 LYS 16 3.337 24.195 29.103 120 2HG LYS 16 HG1 LYS 16 1.890 23.617 28.314 121 1HD LYS 16 HD2 LYS 16 2.003 21.617 30.060 122 2HD LYS 16 HD1 LYS 16 3.258 22.541 30.846 123 1HE LYS 16 HE2 LYS 16 1.127 23.010 31.958 124 2HE LYS 16 HE1 LYS 16 1.674 24.462 31.119 125 1HZ LYS 16 HZ1 LYS 16 -0.170 24.379 29.826 126 2HZ LYS 16 HZ2 LYS 16 -0.720 22.993 30.645 127 3HZ LYS 16 HZ3 LYS 16 0.309 22.841 29.297 128 H THR 17 HN THR 17 6.574 22.913 26.170 129 HA THR 17 HA THR 17 7.214 25.439 27.705 130 HB THR 17 HB THR 17 9.244 23.361 26.709 131 HG1 THR 17 HG1 THR 17 7.683 22.539 28.124 132 1HG2 THR 17 HG21 THR 17 9.264 25.396 29.016 133 2HG2 THR 17 HG22 THR 17 10.219 25.642 27.553 134 3HG2 THR 17 HG23 THR 17 10.546 24.293 28.610 135 H LYS 18 HN LYS 18 8.991 26.678 26.701 136 HA LYS 18 HA LYS 18 8.344 27.121 23.822 137 1HB LYS 18 HB2 LYS 18 8.384 29.007 25.613 138 2HB LYS 18 HB1 LYS 18 10.118 28.841 25.586 139 1HG LYS 18 HG2 LYS 18 9.620 30.651 24.078 140 2HG LYS 18 HG1 LYS 18 10.112 29.304 23.088 141 1HD LYS 18 HD2 LYS 18 8.166 30.388 22.058 142 2HD LYS 18 HD1 LYS 18 7.693 28.785 22.575 143 1HE LYS 18 HE2 LYS 18 6.563 29.706 24.575 144 2HE LYS 18 HE1 LYS 18 7.128 31.326 24.170 145 1HZ LYS 18 HZ1 LYS 18 5.903 30.251 21.890 146 2HZ LYS 18 HZ2 LYS 18 5.314 31.550 22.819 147 3HZ LYS 18 HZ3 LYS 18 4.833 29.956 23.167 148 HA PRO 19 HA PRO 19 12.261 24.877 23.204 149 1HB PRO 19 HB2 PRO 19 11.394 24.723 20.341 150 2HB PRO 19 HB1 PRO 19 11.747 23.403 21.450 151 1HG PRO 19 HG2 PRO 19 9.149 23.881 20.775 152 2HG PRO 19 HG1 PRO 19 9.525 23.530 22.465 153 1HD PRO 19 HD2 PRO 19 9.278 26.318 21.225 154 2HD PRO 19 HD1 PRO 19 8.362 25.610 22.582 155 H ALA 20 HN ALA 20 14.110 25.364 21.655 156 HA ALA 20 HA ALA 20 14.223 28.330 21.220 157 1HB ALA 20 HB1 ALA 20 16.456 26.269 21.334 158 2HB ALA 20 HB2 ALA 20 15.935 27.316 22.653 159 3HB ALA 20 HB3 ALA 20 16.694 28.008 21.230 160 H ASP 21 HN ASP 21 15.493 29.230 19.495 161 HA ASP 21 HA ASP 21 14.524 29.079 16.997 162 1HB ASP 21 HB2 ASP 21 17.393 29.598 17.861 163 2HB ASP 21 HB1 ASP 21 16.731 30.093 16.313 164 H GLU 22 HN GLU 22 17.721 27.671 17.384 165 HA GLU 22 HA GLU 22 17.640 26.186 15.048 166 1HB GLU 22 HB2 GLU 22 19.043 25.609 17.743 167 2HB GLU 22 HB1 GLU 22 19.287 24.485 16.430 168 1HG GLU 22 HG2 GLU 22 20.270 26.253 15.014 169 2HG GLU 22 HG1 GLU 22 19.974 27.444 16.272 170 H GLU 23 HN GLU 23 16.101 24.998 18.005 171 HA GLU 23 HA GLU 23 15.692 22.398 16.760 172 1HB GLU 23 HB2 GLU 23 14.568 23.790 19.262 173 2HB GLU 23 HB1 GLU 23 14.238 22.103 18.876 174 1HG GLU 23 HG2 GLU 23 17.089 23.249 19.227 175 2HG GLU 23 HG1 GLU 23 16.240 22.383 20.491 176 H MET 24 HN MET 24 13.669 25.298 17.368 177 HA MET 24 HA MET 24 11.361 24.159 16.027 178 1HB MET 24 HB2 MET 24 10.542 26.490 15.657 179 2HB MET 24 HB1 MET 24 11.165 26.322 17.272 180 1HG MET 24 HG2 MET 24 13.106 27.513 16.794 181 2HG MET 24 HG1 MET 24 12.857 27.537 15.064 182 1HE MET 24 HE1 MET 24 10.880 28.343 14.007 183 2HE MET 24 HE2 MET 24 11.489 29.990 13.901 184 3HE MET 24 HE3 MET 24 9.869 29.667 14.544 185 H LEU 25 HN LEU 25 14.156 25.984 14.831 186 HA LEU 25 HA LEU 25 13.449 26.046 12.151 187 1HB LEU 25 HB2 LEU 25 16.037 26.117 13.742 188 2HB LEU 25 HB1 LEU 25 16.103 26.215 12.031 189 HG LEU 25 HG LEU 25 14.895 28.281 13.917 190 1HD1 LEU 25 HD11 LEU 25 16.633 29.655 12.831 191 2HD1 LEU 25 HD12 LEU 25 17.090 28.314 11.792 192 3HD1 LEU 25 HD13 LEU 25 17.371 28.232 13.535 193 1HD2 LEU 25 HD21 LEU 25 14.981 28.363 10.922 194 2HD2 LEU 25 HD22 LEU 25 14.385 29.614 11.985 195 3HD2 LEU 25 HD23 LEU 25 13.480 28.126 11.850 196 H PHE 26 HN PHE 26 15.298 23.685 14.023 197 HA PHE 26 HA PHE 26 16.080 21.882 11.970 198 1HB PHE 26 HB2 PHE 26 16.666 21.745 14.495 199 2HB PHE 26 HB1 PHE 26 15.093 21.041 14.766 200 HD1 PHE 26 HD1 PHE 26 18.397 20.527 13.276 201 HD2 PHE 26 HD2 PHE 26 14.538 18.830 13.835 202 HE1 PHE 26 HE1 PHE 26 19.264 18.336 12.578 203 HE2 PHE 26 HE2 PHE 26 15.405 16.633 13.136 204 HZ PHE 26 HZ PHE 26 17.779 16.410 12.509 205 H ILE 27 HN ILE 27 13.269 21.872 14.033 206 HA ILE 27 HA ILE 27 11.736 19.849 12.773 207 HB ILE 27 HB ILE 27 10.991 22.427 14.170 208 1HG1 ILE 27 HG12 ILE 27 12.249 20.884 15.603 209 2HG1 ILE 27 HG11 ILE 27 10.605 20.934 16.177 210 1HG2 ILE 27 HG21 ILE 27 9.117 20.062 13.738 211 2HG2 ILE 27 HG22 ILE 27 8.976 21.580 12.864 212 3HG2 ILE 27 HG23 ILE 27 8.708 21.512 14.590 213 1HD1 ILE 27 HD1 ILE 27 11.458 18.597 16.146 214 2HD1 ILE 27 HD2 ILE 27 11.835 18.698 14.440 215 3HD1 ILE 27 HD3 ILE 27 10.157 18.713 14.986 216 H TYR 28 HN TYR 28 10.794 23.149 12.405 217 HA TYR 28 HA TYR 28 9.463 23.212 9.999 218 1HB TYR 28 HB2 TYR 28 10.227 25.412 10.955 219 2HB TYR 28 HB1 TYR 28 11.826 25.143 10.276 220 HD1 TYR 28 HD1 TYR 28 8.299 25.930 9.504 221 HD2 TYR 28 HD2 TYR 28 12.099 25.084 7.765 222 HE1 TYR 28 HE1 TYR 28 7.511 26.735 7.306 223 HE2 TYR 28 HE2 TYR 28 11.308 25.876 5.631 224 HH TYR 28 HH TYR 28 9.673 27.292 4.700 225 H SER 29 HN SER 29 13.196 23.248 9.666 226 HA SER 29 HA SER 29 13.215 22.890 6.971 227 1HB SER 29 HB2 SER 29 15.554 22.066 7.500 228 2HB SER 29 HB1 SER 29 15.229 23.643 8.086 229 HG SER 29 HG1 SER 29 14.595 22.310 10.166 230 H HIS 30 HN HIS 30 13.679 20.492 9.411 231 HA HIS 30 HA HIS 30 13.941 18.348 7.514 232 1HB HIS 30 HB2 HIS 30 13.535 18.510 10.556 233 2HB HIS 30 HB1 HIS 30 13.819 16.982 9.735 234 HD1 HIS 30 HD1 HIS 30 15.552 20.366 9.808 235 HD2 HIS 30 HD2 HIS 30 16.413 16.378 9.516 236 HE1 HIS 30 HE1 HIS 30 18.034 20.165 9.740 237 H TYR 31 HN TYR 31 11.189 19.669 9.293 238 HA TYR 31 HA TYR 31 9.465 17.461 8.663 239 1HB TYR 31 HB2 TYR 31 8.747 19.182 10.372 240 2HB TYR 31 HB1 TYR 31 8.715 20.426 9.162 241 HD1 TYR 31 HD1 TYR 31 6.907 20.364 7.390 242 HD2 TYR 31 HD2 TYR 31 6.945 17.514 10.561 243 HE1 TYR 31 HE1 TYR 31 4.589 19.713 6.869 244 HE2 TYR 31 HE2 TYR 31 4.633 16.894 10.010 245 HH TYR 31 HH TYR 31 2.796 17.375 8.738 246 H LYS 32 HN LYS 32 10.334 20.464 7.158 247 HA LYS 32 HA LYS 32 8.594 20.149 4.835 248 1HB LYS 32 HB2 LYS 32 11.245 21.627 5.136 249 2HB LYS 32 HB1 LYS 32 10.105 21.744 3.807 250 1HG LYS 32 HG2 LYS 32 9.275 22.333 6.593 251 2HG LYS 32 HG1 LYS 32 9.929 23.529 5.513 252 1HD LYS 32 HD2 LYS 32 8.064 22.988 3.869 253 2HD LYS 32 HD1 LYS 32 7.405 21.827 5.009 254 1HE LYS 32 HE2 LYS 32 6.366 23.451 6.138 255 2HE LYS 32 HE1 LYS 32 7.899 24.194 6.506 256 1HZ LYS 32 HZ1 LYS 32 7.606 25.754 4.874 257 2HZ LYS 32 HZ2 LYS 32 5.958 25.314 4.885 258 3HZ LYS 32 HZ3 LYS 32 7.046 24.664 3.747 259 H GLN 33 HN GLN 33 12.166 19.522 4.976 260 HA GLN 33 HA GLN 33 12.225 18.125 2.500 261 1HB GLN 33 HB2 GLN 33 14.349 18.621 3.674 262 2HB GLN 33 HB1 GLN 33 13.895 17.585 5.010 263 1HG GLN 33 HG2 GLN 33 15.486 16.451 3.494 264 2HG GLN 33 HG1 GLN 33 13.989 15.586 3.499 265 1HE2 GLN 33 HE21 GLN 33 15.659 18.118 1.443 266 2HE2 GLN 33 HE22 GLN 33 14.900 17.475 0.042 267 H ALA 34 HN ALA 34 11.508 16.749 5.701 268 HA ALA 34 HA ALA 34 11.239 14.029 5.042 269 1HB ALA 34 HB1 ALA 34 9.801 15.707 7.118 270 2HB ALA 34 HB2 ALA 34 11.348 14.934 7.355 271 3HB ALA 34 HB3 ALA 34 9.899 13.961 7.161 272 H THR 35 HN THR 35 8.709 16.537 5.133 273 HA THR 35 HA THR 35 6.830 14.652 3.796 274 HB THR 35 HB THR 35 4.998 16.179 4.426 275 HG1 THR 35 HG1 THR 35 7.055 17.782 5.544 276 1HG2 THR 35 HG21 THR 35 7.062 16.139 6.671 277 2HG2 THR 35 HG22 THR 35 5.999 14.777 6.337 278 3HG2 THR 35 HG23 THR 35 5.314 16.327 6.810 279 H VAL 36 HN VAL 36 7.813 17.898 3.282 280 HA VAL 36 HA VAL 36 6.391 18.042 0.671 281 HB VAL 36 HB VAL 36 8.234 20.101 2.024 282 1HG1 VAL 36 HG11 VAL 36 7.875 20.563 -0.415 283 2HG1 VAL 36 HG12 VAL 36 7.059 21.761 0.565 284 3HG1 VAL 36 HG13 VAL 36 6.145 20.463 -0.175 285 1HG2 VAL 36 HG21 VAL 36 6.286 19.579 3.458 286 2HG2 VAL 36 HG22 VAL 36 5.190 19.818 2.104 287 3HG2 VAL 36 HG23 VAL 36 6.071 21.177 2.773 288 H GLY 37 HN GLY 37 9.687 18.153 1.769 289 1HA GLY 37 HA2 GLY 37 11.529 16.952 0.679 290 2HA GLY 37 HA1 GLY 37 10.714 17.153 -0.861 291 H ASP 38 HN ASP 38 12.192 18.079 -1.961 292 HA ASP 38 HA ASP 38 13.974 20.123 -1.206 293 1HB ASP 38 HB2 ASP 38 12.935 18.825 -3.776 294 2HB ASP 38 HB1 ASP 38 14.171 20.040 -3.853 295 H ILE 39 HN ILE 39 13.328 21.954 -0.554 296 HA ILE 39 HA ILE 39 11.076 23.446 -0.385 297 HB ILE 39 HB ILE 39 13.403 23.868 0.381 298 1HG1 ILE 39 HG12 ILE 39 12.128 26.351 -0.700 299 2HG1 ILE 39 HG11 ILE 39 11.267 25.308 0.424 300 1HG2 ILE 39 HG21 ILE 39 13.657 25.314 -2.328 301 2HG2 ILE 39 HG22 ILE 39 14.546 23.867 -1.886 302 3HG2 ILE 39 HG23 ILE 39 14.825 25.380 -1.063 303 1HD1 ILE 39 HD1 ILE 39 13.964 26.649 0.938 304 2HD1 ILE 39 HD2 ILE 39 13.258 25.450 1.990 305 3HD1 ILE 39 HD3 ILE 39 12.462 26.970 1.749 306 H ASN 40 HN ASN 40 9.266 23.888 -1.829 307 HA ASN 40 HA ASN 40 10.093 24.967 -4.425 308 1HB ASN 40 HB2 ASN 40 8.199 23.646 -5.349 309 2HB ASN 40 HB1 ASN 40 9.376 22.566 -4.602 310 1HD2 ASN 40 HD21 ASN 40 6.133 22.761 -4.862 311 2HD2 ASN 40 HD22 ASN 40 5.740 22.190 -3.305 312 H THR 41 HN THR 41 8.990 25.774 -1.569 313 HA THR 41 HA THR 41 6.743 27.427 -2.645 314 HB THR 41 HB THR 41 5.618 27.328 -0.489 315 HG1 THR 41 HG1 THR 41 7.253 27.751 0.852 316 1HG2 THR 41 HG21 THR 41 7.174 24.696 -0.541 317 2HG2 THR 41 HG22 THR 41 5.751 24.947 -1.536 318 3HG2 THR 41 HG23 THR 41 5.621 24.989 0.218 319 H GLU 42 HN GLU 42 6.266 29.124 -1.641 320 HA GLU 42 HA GLU 42 7.529 31.373 -1.968 321 1HB GLU 42 HB2 GLU 42 5.842 31.100 0.426 322 2HB GLU 42 HB1 GLU 42 6.164 32.442 -0.651 323 1HG GLU 42 HG2 GLU 42 3.870 31.537 -1.253 324 2HG GLU 42 HG1 GLU 42 4.952 31.079 -2.550 325 H ARG 43 HN ARG 43 9.763 31.143 -1.291 326 HA ARG 43 HA ARG 43 10.752 31.376 1.357 327 1HB ARG 43 HB2 ARG 43 12.201 31.388 -0.741 328 2HB ARG 43 HB1 ARG 43 11.687 33.044 -1.022 329 1HG ARG 43 HG2 ARG 43 12.713 33.739 1.179 330 2HG ARG 43 HG1 ARG 43 13.209 32.080 1.462 331 1HD ARG 43 HD2 ARG 43 14.531 32.066 -0.577 332 2HD ARG 43 HD1 ARG 43 14.069 33.723 -0.920 333 HE ARG 43 HE ARG 43 15.562 32.922 1.626 334 1HH1 ARG 43 HH11 ARG 43 14.477 35.595 0.514 335 2HH1 ARG 43 HH12 ARG 43 15.978 36.448 0.310 336 1HH2 ARG 43 HH21 ARG 43 17.594 33.405 0.865 337 2HH2 ARG 43 HH22 ARG 43 17.958 35.057 0.502 338 HA PRO 44 HA PRO 44 8.519 34.765 3.285 339 1HB PRO 44 HB2 PRO 44 11.327 35.815 3.493 340 2HB PRO 44 HB1 PRO 44 9.991 35.922 4.658 341 1HG PRO 44 HG2 PRO 44 11.860 33.942 4.811 342 2HG PRO 44 HG1 PRO 44 10.210 33.678 5.354 343 1HD PRO 44 HD2 PRO 44 11.613 32.479 3.034 344 2HD PRO 44 HD1 PRO 44 10.024 32.098 3.690 345 H GLY 45 HN GLY 45 10.967 35.835 1.194 346 1HA GLY 45 HA2 GLY 45 10.989 37.263 -0.701 347 2HA GLY 45 HA1 GLY 45 9.251 37.313 -0.616 348 H MET 46 HN MET 46 8.576 38.651 1.379 349 HA MET 46 HA MET 46 9.812 41.349 0.939 350 1HB MET 46 HB2 MET 46 7.057 40.531 1.893 351 2HB MET 46 HB1 MET 46 7.582 42.212 1.944 352 1HG MET 46 HG2 MET 46 6.560 42.165 -0.128 353 2HG MET 46 HG1 MET 46 8.169 41.722 -0.606 354 1HE MET 46 HE1 MET 46 4.766 40.668 0.373 355 2HE MET 46 HE2 MET 46 4.381 39.301 -0.640 356 3HE MET 46 HE3 MET 46 4.557 40.898 -1.375 357 H LEU 47 HN LEU 47 8.258 39.888 3.715 358 HA LEU 47 HA LEU 47 9.884 41.613 5.517 359 1HB LEU 47 HB2 LEU 47 7.591 39.756 6.244 360 2HB LEU 47 HB1 LEU 47 8.372 40.871 7.326 361 HG LEU 47 HG LEU 47 7.575 42.709 5.590 362 1HD1 LEU 47 HD11 LEU 47 6.703 41.068 3.905 363 2HD1 LEU 47 HD12 LEU 47 5.407 42.062 4.529 364 3HD1 LEU 47 HD13 LEU 47 5.607 40.421 5.109 365 1HD2 LEU 47 HD21 LEU 47 6.778 42.449 7.959 366 2HD2 LEU 47 HD22 LEU 47 5.652 41.207 7.442 367 3HD2 LEU 47 HD23 LEU 47 5.442 42.862 6.897 368 H ASP 48 HN ASP 48 10.543 38.601 4.348 369 HA ASP 48 HA ASP 48 11.677 36.723 5.282 370 1HB ASP 48 HB2 ASP 48 12.971 39.200 6.333 371 2HB ASP 48 HB1 ASP 48 13.664 37.605 6.613 372 H PHE 49 HN PHE 49 12.190 38.485 8.267 373 HA PHE 49 HA PHE 49 11.662 38.036 10.418 374 1HB PHE 49 HB2 PHE 49 9.189 37.169 8.884 375 2HB PHE 49 HB1 PHE 49 9.317 36.464 10.479 376 HD1 PHE 49 HD1 PHE 49 10.540 39.846 9.458 377 HD2 PHE 49 HD2 PHE 49 7.546 37.674 11.564 378 HE1 PHE 49 HE1 PHE 49 9.687 41.929 10.386 379 HE2 PHE 49 HE2 PHE 49 6.681 39.777 12.499 380 HZ PHE 49 HZ PHE 49 7.745 41.913 11.911 381 H LYS 50 HN LYS 50 11.802 36.257 11.961 382 HA LYS 50 HA LYS 50 13.769 34.457 11.907 383 1HB LYS 50 HB2 LYS 50 10.869 33.829 12.735 384 2HB LYS 50 HB1 LYS 50 12.190 32.726 13.104 385 1HG LYS 50 HG2 LYS 50 13.337 34.448 14.402 386 2HG LYS 50 HG1 LYS 50 12.127 35.644 13.950 387 1HD LYS 50 HD2 LYS 50 10.360 34.381 15.148 388 2HD LYS 50 HD1 LYS 50 11.429 33.015 15.367 389 1HE LYS 50 HE2 LYS 50 11.164 34.292 17.475 390 2HE LYS 50 HE1 LYS 50 12.834 34.279 16.925 391 1HZ LYS 50 HZ1 LYS 50 12.766 36.509 16.932 392 2HZ LYS 50 HZ2 LYS 50 11.118 36.538 17.298 393 3HZ LYS 50 HZ3 LYS 50 11.607 36.453 15.667 394 H GLY 51 HN GLY 51 11.053 32.488 11.149 395 1HA GLY 51 HA2 GLY 51 11.222 30.613 9.679 396 2HA GLY 51 HA1 GLY 51 10.258 31.851 8.902 397 H LYS 52 HN LYS 52 12.322 33.673 7.985 398 HA LYS 52 HA LYS 52 13.011 32.429 5.587 399 1HB LYS 52 HB2 LYS 52 13.180 34.921 5.911 400 2HB LYS 52 HB1 LYS 52 14.301 34.697 7.219 401 1HG LYS 52 HG2 LYS 52 16.045 33.860 5.725 402 2HG LYS 52 HG1 LYS 52 14.937 33.763 4.372 403 1HD LYS 52 HD2 LYS 52 14.824 36.077 4.093 404 2HD LYS 52 HD1 LYS 52 15.244 36.450 5.758 405 1HE LYS 52 HE2 LYS 52 17.592 35.783 5.281 406 2HE LYS 52 HE1 LYS 52 17.153 35.445 3.611 407 1HZ LYS 52 HZ1 LYS 52 17.315 37.703 3.155 408 2HZ LYS 52 HZ2 LYS 52 17.776 37.995 4.755 409 3HZ LYS 52 HZ3 LYS 52 16.155 37.988 4.326 410 H ALA 53 HN ALA 53 14.747 32.792 8.533 411 HA ALA 53 HA ALA 53 17.253 31.691 8.182 412 1HB ALA 53 HB1 ALA 53 17.024 30.850 10.591 413 2HB ALA 53 HB2 ALA 53 15.283 31.042 10.479 414 3HB ALA 53 HB3 ALA 53 16.320 32.441 10.419 415 H LYS 54 HN LYS 54 14.428 29.664 9.084 416 HA LYS 54 HA LYS 54 15.714 27.389 7.834 417 1HB LYS 54 HB2 LYS 54 13.576 27.815 9.726 418 2HB LYS 54 HB1 LYS 54 13.007 26.852 8.433 419 1HG LYS 54 HG2 LYS 54 14.288 25.787 10.448 420 2HG LYS 54 HG1 LYS 54 14.266 25.043 8.894 421 1HD LYS 54 HD2 LYS 54 16.556 25.727 8.498 422 2HD LYS 54 HD1 LYS 54 16.635 26.867 9.838 423 1HE LYS 54 HE2 LYS 54 17.793 25.121 10.875 424 2HE LYS 54 HE1 LYS 54 16.296 24.241 10.957 425 1HZ LYS 54 HZ1 LYS 54 17.392 23.934 8.346 426 2HZ LYS 54 HZ2 LYS 54 16.905 22.836 9.489 427 3HZ LYS 54 HZ3 LYS 54 18.509 23.429 9.507 428 H TRP 55 HN TRP 55 13.685 29.729 6.149 429 HA TRP 55 HA TRP 55 12.560 27.708 4.539 430 1HB TRP 55 HB2 TRP 55 11.794 30.115 4.498 431 2HB TRP 55 HB1 TRP 55 13.333 30.612 3.836 432 HD1 TRP 55 HD1 TRP 55 10.014 28.924 2.824 433 HE1 TRP 55 HE1 TRP 55 10.243 28.468 0.303 434 HE3 TRP 55 HE3 TRP 55 14.904 29.963 1.868 435 HZ2 TRP 55 HZ2 TRP 55 11.912 28.554 -1.759 436 HZ3 TRP 55 HZ3 TRP 55 15.820 29.692 -0.364 437 HH2 TRP 55 HH2 TRP 55 14.319 29.022 -2.234 438 H ASP 56 HN ASP 56 15.142 30.004 4.351 439 HA ASP 56 HA ASP 56 16.633 28.864 2.261 440 1HB ASP 56 HB2 ASP 56 17.321 30.539 4.670 441 2HB ASP 56 HB1 ASP 56 18.480 30.235 3.419 442 H ALA 57 HN ALA 57 16.978 28.403 5.810 443 HA ALA 57 HA ALA 57 19.030 26.479 5.356 444 1HB ALA 57 HB1 ALA 57 17.495 27.216 7.796 445 2HB ALA 57 HB2 ALA 57 19.069 27.721 7.348 446 3HB ALA 57 HB3 ALA 57 18.811 26.049 7.848 447 H TRP 58 HN TRP 58 15.781 26.063 4.770 448 HA TRP 58 HA TRP 58 15.627 23.148 5.334 449 1HB TRP 58 HB2 TRP 58 13.533 24.426 5.550 450 2HB TRP 58 HB1 TRP 58 13.818 25.250 4.083 451 HD1 TRP 58 HD1 TRP 58 14.636 21.465 3.582 452 HE1 TRP 58 HE1 TRP 58 12.741 20.724 1.998 453 HE3 TRP 58 HE3 TRP 58 11.399 25.357 3.761 454 HZ2 TRP 58 HZ2 TRP 58 10.309 21.403 1.009 455 HZ3 TRP 58 HZ3 TRP 58 9.228 25.270 2.524 456 HH2 TRP 58 HH2 TRP 58 8.692 23.291 1.150 457 H ASN 59 HN ASN 59 15.608 25.672 2.734 458 HA ASN 59 HA ASN 59 15.848 24.111 0.458 459 1HB ASN 59 HB2 ASN 59 15.673 26.564 0.184 460 2HB ASN 59 HB1 ASN 59 16.865 26.835 1.388 461 1HD2 ASN 59 HD21 ASN 59 18.601 27.596 0.619 462 2HD2 ASN 59 HD22 ASN 59 19.277 27.185 -0.921 463 H GLU 60 HN GLU 60 18.256 25.092 2.737 464 HA GLU 60 HA GLU 60 20.527 23.876 1.565 465 1HB GLU 60 HB2 GLU 60 19.917 24.559 4.416 466 2HB GLU 60 HB1 GLU 60 21.482 23.931 3.947 467 1HG GLU 60 HG2 GLU 60 20.344 26.454 2.616 468 2HG GLU 60 HG1 GLU 60 21.389 26.530 4.016 469 H LEU 61 HN LEU 61 18.049 22.247 2.428 470 HA LEU 61 HA LEU 61 19.360 19.669 3.285 471 1HB LEU 61 HB2 LEU 61 16.401 20.297 3.596 472 2HB LEU 61 HB1 LEU 61 17.226 18.842 4.086 473 HG LEU 61 HG LEU 61 17.583 21.557 5.381 474 1HD1 LEU 61 HD11 LEU 61 16.502 18.831 6.267 475 2HD1 LEU 61 HD12 LEU 61 15.526 20.249 5.932 476 3HD1 LEU 61 HD13 LEU 61 16.638 20.237 7.300 477 1HD2 LEU 61 HD21 LEU 61 19.121 20.385 6.923 478 2HD2 LEU 61 HD22 LEU 61 19.754 20.327 5.293 479 3HD2 LEU 61 HD23 LEU 61 18.999 18.906 5.986 480 H LYS 62 HN LYS 62 17.519 21.306 0.901 481 HA LYS 62 HA LYS 62 16.075 19.421 -0.483 482 1HB LYS 62 HB2 LYS 62 16.237 21.848 -1.054 483 2HB LYS 62 HB1 LYS 62 17.953 21.715 -1.307 484 1HG LYS 62 HG2 LYS 62 16.022 20.264 -3.061 485 2HG LYS 62 HG1 LYS 62 16.526 21.889 -3.411 486 1HD LYS 62 HD2 LYS 62 19.004 20.883 -3.170 487 2HD LYS 62 HD1 LYS 62 18.221 19.321 -3.259 488 1HE LYS 62 HE2 LYS 62 18.883 19.763 -5.414 489 2HE LYS 62 HE1 LYS 62 17.121 19.836 -5.298 490 1HZ LYS 62 HZ1 LYS 62 18.925 21.914 -6.047 491 2HZ LYS 62 HZ2 LYS 62 18.101 22.374 -4.631 492 3HZ LYS 62 HZ3 LYS 62 17.225 21.941 -6.015 493 H GLY 63 HN GLY 63 16.639 17.651 -1.849 494 1HA GLY 63 HA2 GLY 63 18.268 16.296 -3.075 495 2HA GLY 63 HA1 GLY 63 19.583 17.066 -2.169 496 H THR 64 HN THR 64 18.108 16.837 0.319 497 HA THR 64 HA THR 64 19.101 14.273 1.096 498 HB THR 64 HB THR 64 17.174 16.211 2.501 499 HG1 THR 64 HG1 THR 64 19.068 17.023 2.345 500 1HG2 THR 64 HG21 THR 64 17.143 13.882 3.705 501 2HG2 THR 64 HG22 THR 64 17.846 15.183 4.628 502 3HG2 THR 64 HG23 THR 64 18.898 14.042 3.808 503 H SER 65 HN SER 65 17.598 12.747 2.277 504 HA SER 65 HA SER 65 15.463 11.955 0.348 505 1HB SER 65 HB2 SER 65 15.580 9.722 1.462 506 2HB SER 65 HB1 SER 65 17.260 10.259 1.377 507 HG SER 65 HG1 SER 65 17.092 10.041 3.540 508 H LYS 66 HN LYS 66 13.642 10.841 1.874 509 HA LYS 66 HA LYS 66 12.641 13.104 3.542 510 1HB LYS 66 HB2 LYS 66 11.248 10.636 2.360 511 2HB LYS 66 HB1 LYS 66 10.472 11.806 3.440 512 1HG LYS 66 HG2 LYS 66 11.399 13.641 1.895 513 2HG LYS 66 HG1 LYS 66 11.741 12.374 0.742 514 1HD LYS 66 HD2 LYS 66 9.488 11.935 0.343 515 2HD LYS 66 HD1 LYS 66 8.990 12.444 1.955 516 1HE LYS 66 HE2 LYS 66 9.532 14.783 1.437 517 2HE LYS 66 HE1 LYS 66 10.047 14.322 -0.185 518 1HZ LYS 66 HZ1 LYS 66 7.901 14.361 -0.808 519 2HZ LYS 66 HZ2 LYS 66 7.413 14.746 0.739 520 3HZ LYS 66 HZ3 LYS 66 7.545 13.128 0.314 521 H GLU 67 HN GLU 67 13.393 9.700 3.583 522 HA GLU 67 HA GLU 67 12.619 9.182 6.255 523 1HB GLU 67 HB2 GLU 67 14.219 7.871 4.132 524 2HB GLU 67 HB1 GLU 67 14.733 7.457 5.726 525 1HG GLU 67 HG2 GLU 67 11.770 7.361 4.853 526 2HG GLU 67 HG1 GLU 67 12.793 5.958 4.743 527 H ASP 68 HN ASP 68 15.933 10.455 5.065 528 HA ASP 68 HA ASP 68 17.020 10.252 7.647 529 1HB ASP 68 HB2 ASP 68 17.475 11.926 5.149 530 2HB ASP 68 HB1 ASP 68 18.515 12.099 6.544 531 H ALA 69 HN ALA 69 15.356 12.771 6.081 532 HA ALA 69 HA ALA 69 15.345 14.730 8.186 533 1HB ALA 69 HB1 ALA 69 14.721 15.158 5.828 534 2HB ALA 69 HB2 ALA 69 13.448 15.735 6.898 535 3HB ALA 69 HB3 ALA 69 13.265 14.210 6.015 536 H MET 70 HN MET 70 12.870 12.196 7.383 537 HA MET 70 HA MET 70 11.142 12.631 9.504 538 1HB MET 70 HB2 MET 70 11.945 10.292 7.787 539 2HB MET 70 HB1 MET 70 10.843 10.028 9.060 540 1HG MET 70 HG2 MET 70 9.578 12.094 7.903 541 2HG MET 70 HG1 MET 70 10.653 11.781 6.581 542 1HE MET 70 HE1 MET 70 8.090 12.365 6.236 543 2HE MET 70 HE2 MET 70 6.905 11.150 5.856 544 3HE MET 70 HE3 MET 70 8.239 11.456 4.727 545 H LYS 71 HN LYS 71 13.632 10.249 9.224 546 HA LYS 71 HA LYS 71 13.695 9.068 11.721 547 1HB LYS 71 HB2 LYS 71 16.092 9.859 9.970 548 2HB LYS 71 HB1 LYS 71 16.253 8.807 11.352 549 1HG LYS 71 HG2 LYS 71 14.520 8.175 8.958 550 2HG LYS 71 HG1 LYS 71 16.190 7.665 9.112 551 1HD LYS 71 HD2 LYS 71 15.200 6.684 11.455 552 2HD LYS 71 HD1 LYS 71 13.690 6.787 10.576 553 1HE LYS 71 HE2 LYS 71 16.169 5.205 9.811 554 2HE LYS 71 HE1 LYS 71 14.567 4.576 10.188 555 1HZ LYS 71 HZ1 LYS 71 15.520 5.410 7.610 556 2HZ LYS 71 HZ2 LYS 71 14.237 6.412 8.089 557 3HZ LYS 71 HZ3 LYS 71 13.990 4.802 7.988 558 H ALA 72 HN ALA 72 15.787 11.783 10.731 559 HA ALA 72 HA ALA 72 16.764 12.529 13.184 560 1HB ALA 72 HB1 ALA 72 17.279 14.629 11.943 561 2HB ALA 72 HB2 ALA 72 16.138 14.154 10.690 562 3HB ALA 72 HB3 ALA 72 17.595 13.215 10.966 563 H TYR 73 HN TYR 73 13.810 13.610 11.638 564 HA TYR 73 HA TYR 73 13.090 15.636 13.567 565 1HB TYR 73 HB2 TYR 73 12.474 15.542 11.165 566 2HB TYR 73 HB1 TYR 73 11.522 14.115 11.451 567 HD1 TYR 73 HD1 TYR 73 9.467 14.294 12.953 568 HD2 TYR 73 HD2 TYR 73 11.650 17.658 11.575 569 HE1 TYR 73 HE1 TYR 73 7.568 15.756 13.464 570 HE2 TYR 73 HE2 TYR 73 9.794 19.097 12.057 571 HH TYR 73 HH TYR 73 7.657 19.202 12.700 572 H ILE 74 HN ILE 74 12.313 12.330 13.195 573 HA ILE 74 HA ILE 74 10.265 12.092 15.245 574 HB ILE 74 HB ILE 74 12.091 10.058 13.872 575 1HG1 ILE 74 HG12 ILE 74 9.120 10.524 13.543 576 2HG1 ILE 74 HG11 ILE 74 10.296 11.389 12.569 577 1HG2 ILE 74 HG21 ILE 74 10.515 8.349 14.804 578 2HG2 ILE 74 HG22 ILE 74 9.651 9.591 15.689 579 3HG2 ILE 74 HG23 ILE 74 11.312 9.183 16.111 580 1HD1 ILE 74 HD1 ILE 74 11.247 9.262 11.760 581 2HD1 ILE 74 HD2 ILE 74 9.537 9.336 11.377 582 3HD1 ILE 74 HD3 ILE 74 10.097 8.349 12.708 583 H ASP 75 HN ASP 75 13.699 11.088 15.057 584 HA ASP 75 HA ASP 75 13.983 10.551 17.811 585 1HB ASP 75 HB2 ASP 75 15.751 11.175 15.429 586 2HB ASP 75 HB1 ASP 75 16.464 11.188 17.027 587 H LYS 76 HN LYS 76 14.544 13.406 15.928 588 HA LYS 76 HA LYS 76 15.413 15.216 17.898 589 1HB LYS 76 HB2 LYS 76 15.012 15.953 15.504 590 2HB LYS 76 HB1 LYS 76 13.304 15.904 15.805 591 1HG LYS 76 HG2 LYS 76 14.029 18.228 16.087 592 2HG LYS 76 HG1 LYS 76 13.446 17.601 17.596 593 1HD LYS 76 HD2 LYS 76 15.470 18.923 17.961 594 2HD LYS 76 HD1 LYS 76 15.722 17.279 18.474 595 1HE LYS 76 HE2 LYS 76 17.159 16.788 16.623 596 2HE LYS 76 HE1 LYS 76 16.540 18.119 15.676 597 1HZ LYS 76 HZ1 LYS 76 18.099 19.502 16.573 598 2HZ LYS 76 HZ2 LYS 76 18.702 18.217 17.576 599 3HZ LYS 76 HZ3 LYS 76 17.469 19.255 18.027 600 H VAL 77 HN VAL 77 11.878 14.782 17.060 601 HA VAL 77 HA VAL 77 11.093 16.222 19.399 602 HB VAL 77 HB VAL 77 9.684 14.078 17.723 603 1HG1 VAL 77 HG11 VAL 77 7.650 14.595 19.045 604 2HG1 VAL 77 HG12 VAL 77 8.538 15.640 20.143 605 3HG1 VAL 77 HG13 VAL 77 8.827 13.909 20.140 606 1HG2 VAL 77 HG21 VAL 77 9.915 16.474 16.857 607 2HG2 VAL 77 HG22 VAL 77 9.159 17.056 18.331 608 3HG2 VAL 77 HG23 VAL 77 8.251 16.065 17.227 609 H GLU 78 HN GLU 78 11.636 12.730 18.957 610 HA GLU 78 HA GLU 78 11.025 11.807 21.534 611 1HB GLU 78 HB2 GLU 78 12.760 11.040 19.310 612 2HB GLU 78 HB1 GLU 78 13.521 10.553 20.788 613 1HG GLU 78 HG2 GLU 78 10.593 9.917 20.034 614 2HG GLU 78 HG1 GLU 78 11.924 8.795 19.807 615 H GLU 79 HN GLU 79 14.287 13.318 20.607 616 HA GLU 79 HA GLU 79 15.190 13.444 23.277 617 1HB GLU 79 HB2 GLU 79 15.947 14.552 20.614 618 2HB GLU 79 HB1 GLU 79 16.525 15.478 21.991 619 1HG GLU 79 HG2 GLU 79 18.137 13.746 21.411 620 2HG GLU 79 HG1 GLU 79 17.415 13.341 22.971 621 H LEU 80 HN LEU 80 13.865 16.055 21.194 622 HA LEU 80 HA LEU 80 13.735 18.055 23.206 623 1HB LEU 80 HB2 LEU 80 11.596 17.399 21.083 624 2HB LEU 80 HB1 LEU 80 11.566 18.875 22.016 625 HG LEU 80 HG LEU 80 13.726 18.093 20.013 626 1HD1 LEU 80 HD11 LEU 80 11.710 20.371 20.179 627 2HD1 LEU 80 HD12 LEU 80 11.541 18.960 19.133 628 3HD1 LEU 80 HD13 LEU 80 12.842 20.102 18.858 629 1HD2 LEU 80 HD21 LEU 80 14.699 19.406 21.995 630 2HD2 LEU 80 HD22 LEU 80 13.434 20.610 21.754 631 3HD2 LEU 80 HD23 LEU 80 14.664 20.361 20.539 632 H LYS 81 HN LYS 81 11.335 15.586 22.787 633 HA LYS 81 HA LYS 81 9.884 16.499 25.053 634 1HB LYS 81 HB2 LYS 81 8.860 15.244 23.422 635 2HB LYS 81 HB1 LYS 81 10.022 13.924 23.421 636 1HG LYS 81 HG2 LYS 81 8.156 14.623 25.754 637 2HG LYS 81 HG1 LYS 81 7.701 13.511 24.476 638 1HD LYS 81 HD2 LYS 81 9.604 11.994 25.046 639 2HD LYS 81 HD1 LYS 81 10.172 13.083 26.273 640 1HE LYS 81 HE2 LYS 81 9.026 11.464 27.454 641 2HE LYS 81 HE1 LYS 81 7.971 12.870 27.440 642 1HZ LYS 81 HZ1 LYS 81 6.398 11.660 26.383 643 2HZ LYS 81 HZ2 LYS 81 7.431 10.301 26.465 644 3HZ LYS 81 HZ3 LYS 81 7.469 11.327 25.115 645 H LYS 82 HN LYS 82 12.510 14.057 24.699 646 HA LYS 82 HA LYS 82 12.344 13.316 27.501 647 1HB LYS 82 HB2 LYS 82 14.503 13.202 25.383 648 2HB LYS 82 HB1 LYS 82 14.799 12.559 26.993 649 1HG LYS 82 HG2 LYS 82 12.797 11.095 26.824 650 2HG LYS 82 HG1 LYS 82 12.391 11.769 25.268 651 1HD LYS 82 HD2 LYS 82 15.106 10.480 25.608 652 2HD LYS 82 HD1 LYS 82 13.687 9.454 25.463 653 1HE LYS 82 HE2 LYS 82 13.084 10.635 23.374 654 2HE LYS 82 HE1 LYS 82 14.594 11.537 23.466 655 1HZ LYS 82 HZ1 LYS 82 15.202 8.820 23.832 656 2HZ LYS 82 HZ2 LYS 82 15.596 9.844 22.510 657 3HZ LYS 82 HZ3 LYS 82 14.141 8.970 22.509 658 H LYS 83 HN LYS 83 13.875 15.927 25.851 659 HA LYS 83 HA LYS 83 15.417 16.992 28.010 660 1HB LYS 83 HB2 LYS 83 15.620 17.104 25.406 661 2HB LYS 83 HB1 LYS 83 14.525 18.433 25.514 662 1HG LYS 83 HG2 LYS 83 16.031 19.628 27.111 663 2HG LYS 83 HG1 LYS 83 17.237 18.386 26.906 664 1HD LYS 83 HD2 LYS 83 16.148 20.315 24.762 665 2HD LYS 83 HD1 LYS 83 17.764 20.292 25.400 666 1HE LYS 83 HE2 LYS 83 16.582 18.030 23.718 667 2HE LYS 83 HE1 LYS 83 17.593 19.315 23.100 668 1HZ LYS 83 HZ1 LYS 83 18.914 18.275 25.347 669 2HZ LYS 83 HZ2 LYS 83 19.380 18.141 23.705 670 3HZ LYS 83 HZ3 LYS 83 18.387 16.937 24.455 671 H TYR 84 HN TYR 84 12.581 18.160 26.467 672 HA TYR 84 HA TYR 84 12.055 20.180 28.601 673 1HB TYR 84 HB2 TYR 84 10.562 19.796 25.913 674 2HB TYR 84 HB1 TYR 84 10.147 20.941 27.137 675 HD1 TYR 84 HD1 TYR 84 12.197 20.498 24.215 676 HD2 TYR 84 HD2 TYR 84 11.857 22.644 27.888 677 HE1 TYR 84 HE1 TYR 84 13.671 22.287 23.342 678 HE2 TYR 84 HE2 TYR 84 13.316 24.396 26.988 679 HH TYR 84 HH TYR 84 13.998 25.267 24.982 680 H GLY 85 HN GLY 85 10.869 17.085 27.736 681 1HA GLY 85 HA2 GLY 85 9.086 15.769 28.388 682 2HA GLY 85 HA1 GLY 85 9.392 16.488 29.939 683 H ILE 86 HN ILE 86 8.129 19.041 28.156 684 HA ILE 86 HA ILE 86 5.314 18.409 28.274 685 HB ILE 86 HB ILE 86 6.422 18.873 30.684 686 1HG1 ILE 86 HG12 ILE 86 4.112 20.652 29.889 687 2HG1 ILE 86 HG11 ILE 86 3.972 18.933 30.145 688 1HG2 ILE 86 HG21 ILE 86 6.746 21.243 31.318 689 2HG2 ILE 86 HG22 ILE 86 6.433 21.748 29.678 690 3HG2 ILE 86 HG23 ILE 86 7.848 20.784 30.034 691 1HD1 ILE 86 HD1 ILE 86 3.351 20.160 32.209 692 2HD1 ILE 86 HD2 ILE 86 4.908 20.955 32.257 693 3HD1 ILE 86 HD3 ILE 86 4.805 19.219 32.487 Start of MODEL 10 1 1H SER 1 HT1 SER 1 2.596 6.621 5.451 2 2H SER 1 HT2 SER 1 4.220 6.775 4.958 3 3H SER 1 HT3 SER 1 3.002 7.532 4.061 4 HA SER 1 HA SER 1 4.441 8.665 6.143 5 1HB SER 1 HB2 SER 1 1.903 9.815 4.868 6 2HB SER 1 HB1 SER 1 3.432 10.652 5.225 7 HG SER 1 HG1 SER 1 3.865 10.019 3.138 8 H GLN 2 HN GLN 2 3.046 10.242 7.694 9 HA GLN 2 HA GLN 2 1.736 10.410 9.520 10 1HB GLN 2 HB2 GLN 2 0.068 9.464 7.492 11 2HB GLN 2 HB1 GLN 2 -0.219 8.327 8.793 12 1HG GLN 2 HG2 GLN 2 -1.753 10.156 9.234 13 2HG GLN 2 HG1 GLN 2 -0.411 10.406 10.347 14 1HE2 GLN 2 HE21 GLN 2 1.533 11.715 8.501 15 2HE2 GLN 2 HE22 GLN 2 0.744 13.142 8.081 16 H ALA 3 HN ALA 3 3.948 8.449 9.746 17 HA ALA 3 HA ALA 3 2.778 6.579 11.672 18 1HB ALA 3 HB1 ALA 3 5.518 6.814 10.264 19 2HB ALA 3 HB2 ALA 3 4.205 5.775 9.738 20 3HB ALA 3 HB3 ALA 3 4.996 5.460 11.257 21 H GLU 4 HN GLU 4 5.596 6.645 12.578 22 HA GLU 4 HA GLU 4 5.424 8.131 14.938 23 1HB GLU 4 HB2 GLU 4 7.991 7.574 14.959 24 2HB GLU 4 HB1 GLU 4 6.896 6.225 14.877 25 1HG GLU 4 HG2 GLU 4 7.296 6.081 12.334 26 2HG GLU 4 HG1 GLU 4 8.421 7.407 12.464 27 H PHE 5 HN PHE 5 6.400 9.023 11.859 28 HA PHE 5 HA PHE 5 7.928 11.428 12.559 29 1HB PHE 5 HB2 PHE 5 8.236 10.446 10.334 30 2HB PHE 5 HB1 PHE 5 6.477 10.654 10.089 31 HD1 PHE 5 HD1 PHE 5 5.829 12.398 8.766 32 HD2 PHE 5 HD2 PHE 5 9.356 12.873 11.109 33 HE1 PHE 5 HE1 PHE 5 6.100 14.628 7.870 34 HE2 PHE 5 HE2 PHE 5 9.642 15.142 10.174 35 HZ PHE 5 HZ PHE 5 7.998 16.009 8.540 36 H ASP 6 HN ASP 6 4.710 11.066 11.161 37 HA ASP 6 HA ASP 6 4.129 13.851 11.505 38 1HB ASP 6 HB2 ASP 6 2.689 11.281 10.902 39 2HB ASP 6 HB1 ASP 6 1.793 12.788 10.990 40 H LYS 7 HN LYS 7 3.456 10.849 13.377 41 HA LYS 7 HA LYS 7 2.056 12.270 15.394 42 1HB LYS 7 HB2 LYS 7 2.476 9.685 15.230 43 2HB LYS 7 HB1 LYS 7 4.011 9.984 16.023 44 1HG LYS 7 HG2 LYS 7 2.457 9.535 17.824 45 2HG LYS 7 HG1 LYS 7 2.703 11.260 17.852 46 1HD LYS 7 HD2 LYS 7 0.556 11.526 16.407 47 2HD LYS 7 HD1 LYS 7 0.347 9.797 16.521 48 1HE LYS 7 HE2 LYS 7 -1.083 10.955 18.102 49 2HE LYS 7 HE1 LYS 7 0.151 10.077 19.017 50 1HZ LYS 7 HZ1 LYS 7 1.133 12.660 18.287 51 2HZ LYS 7 HZ2 LYS 7 0.951 12.060 19.817 52 3HZ LYS 7 HZ3 LYS 7 -0.318 12.905 18.985 53 H ALA 8 HN ALA 8 5.722 11.787 15.032 54 HA ALA 8 HA ALA 8 6.305 13.216 17.407 55 1HB ALA 8 HB1 ALA 8 7.811 13.052 14.748 56 2HB ALA 8 HB2 ALA 8 7.890 11.862 16.027 57 3HB ALA 8 HB3 ALA 8 8.561 13.449 16.289 58 H ALA 9 HN ALA 9 6.044 14.280 14.216 59 HA ALA 9 HA ALA 9 6.375 17.124 14.503 60 1HB ALA 9 HB1 ALA 9 6.309 15.928 12.310 61 2HB ALA 9 HB2 ALA 9 5.209 17.300 12.315 62 3HB ALA 9 HB3 ALA 9 4.588 15.669 12.517 63 H GLU 10 HN GLU 10 3.494 15.223 14.954 64 HA GLU 10 HA GLU 10 1.687 17.434 15.275 65 1HB GLU 10 HB2 GLU 10 0.981 15.261 14.372 66 2HB GLU 10 HB1 GLU 10 1.662 14.430 15.740 67 1HG GLU 10 HG2 GLU 10 -0.409 16.465 16.472 68 2HG GLU 10 HG1 GLU 10 -0.983 15.079 15.575 69 H GLU 11 HN GLU 11 3.400 15.141 17.415 70 HA GLU 11 HA GLU 11 2.387 16.179 19.838 71 1HB GLU 11 HB2 GLU 11 4.823 14.485 19.025 72 2HB GLU 11 HB1 GLU 11 4.521 14.924 20.675 73 1HG GLU 11 HG2 GLU 11 2.135 13.928 20.372 74 2HG GLU 11 HG1 GLU 11 2.741 13.341 18.837 75 H VAL 12 HN VAL 12 5.044 17.014 17.687 76 HA VAL 12 HA VAL 12 6.444 18.825 19.363 77 HB VAL 12 HB VAL 12 6.625 17.976 16.708 78 1HG1 VAL 12 HG11 VAL 12 6.471 21.053 16.736 79 2HG1 VAL 12 HG12 VAL 12 5.384 19.981 15.860 80 3HG1 VAL 12 HG13 VAL 12 7.059 20.071 15.402 81 1HG2 VAL 12 HG21 VAL 12 8.507 18.298 18.204 82 2HG2 VAL 12 HG22 VAL 12 8.278 20.044 18.165 83 3HG2 VAL 12 HG23 VAL 12 8.799 19.196 16.723 84 H LYS 13 HN LYS 13 3.836 19.286 16.957 85 HA LYS 13 HA LYS 13 3.284 22.020 17.627 86 1HB LYS 13 HB2 LYS 13 1.329 19.864 16.718 87 2HB LYS 13 HB1 LYS 13 0.994 21.590 16.671 88 1HG LYS 13 HG2 LYS 13 2.829 21.961 15.152 89 2HG LYS 13 HG1 LYS 13 3.343 20.289 15.241 90 1HD LYS 13 HD2 LYS 13 0.883 19.720 14.472 91 2HD LYS 13 HD1 LYS 13 0.802 21.389 13.932 92 1HE LYS 13 HE2 LYS 13 2.803 19.249 13.096 93 2HE LYS 13 HE1 LYS 13 1.550 19.944 12.067 94 1HZ LYS 13 HZ1 LYS 13 2.981 21.634 11.556 95 2HZ LYS 13 HZ2 LYS 13 4.143 20.929 12.618 96 3HZ LYS 13 HZ3 LYS 13 3.006 22.033 13.206 97 H HIS 14 HN HIS 14 3.048 19.481 19.660 98 HA HIS 14 HA HIS 14 1.087 20.821 21.462 99 1HB HIS 14 HB2 HIS 14 -0.178 18.901 21.319 100 2HB HIS 14 HB1 HIS 14 1.004 18.145 20.273 101 HD1 HIS 14 HD1 HIS 14 3.120 17.336 21.895 102 HD2 HIS 14 HD2 HIS 14 -0.608 17.261 23.495 103 HE1 HIS 14 HE1 HIS 14 3.217 15.727 23.846 104 H LEU 15 HN LEU 15 4.347 20.529 21.276 105 HA LEU 15 HA LEU 15 5.042 19.207 23.716 106 1HB LEU 15 HB2 LEU 15 6.426 21.694 22.669 107 2HB LEU 15 HB1 LEU 15 7.123 20.529 23.759 108 HG LEU 15 HG LEU 15 6.583 20.267 20.824 109 1HD1 LEU 15 HD11 LEU 15 8.993 19.887 20.823 110 2HD1 LEU 15 HD12 LEU 15 9.022 19.954 22.580 111 3HD1 LEU 15 HD13 LEU 15 8.610 21.389 21.651 112 1HD2 LEU 15 HD21 LEU 15 7.462 18.035 22.741 113 2HD2 LEU 15 HD22 LEU 15 7.413 17.922 20.995 114 3HD2 LEU 15 HD23 LEU 15 5.921 18.087 21.901 115 H LYS 16 HN LYS 16 5.579 19.941 25.790 116 HA LYS 16 HA LYS 16 3.777 21.666 27.034 117 1HB LYS 16 HB2 LYS 16 5.601 19.976 28.009 118 2HB LYS 16 HB1 LYS 16 6.644 21.366 28.041 119 1HG LYS 16 HG2 LYS 16 5.640 21.312 30.221 120 2HG LYS 16 HG1 LYS 16 4.766 22.585 29.371 121 1HD LYS 16 HD2 LYS 16 2.915 21.040 28.808 122 2HD LYS 16 HD1 LYS 16 3.928 19.697 29.265 123 1HE LYS 16 HE2 LYS 16 3.837 20.461 31.642 124 2HE LYS 16 HE1 LYS 16 2.643 21.665 31.134 125 1HZ LYS 16 HZ1 LYS 16 1.085 19.928 31.178 126 2HZ LYS 16 HZ2 LYS 16 2.389 18.785 31.337 127 3HZ LYS 16 HZ3 LYS 16 1.985 19.267 29.876 128 H THR 17 HN THR 17 6.678 22.424 25.557 129 HA THR 17 HA THR 17 6.168 25.362 25.750 130 HB THR 17 HB THR 17 8.766 24.005 26.644 131 HG1 THR 17 HG1 THR 17 6.424 24.710 27.812 132 1HG2 THR 17 HG21 THR 17 9.341 26.349 25.843 133 2HG2 THR 17 HG22 THR 17 9.390 26.148 27.570 134 3HG2 THR 17 HG23 THR 17 8.010 26.943 26.859 135 H LYS 18 HN LYS 18 8.126 26.527 24.503 136 HA LYS 18 HA LYS 18 8.057 25.392 21.767 137 1HB LYS 18 HB2 LYS 18 8.336 27.654 20.974 138 2HB LYS 18 HB1 LYS 18 7.064 27.605 22.164 139 1HG LYS 18 HG2 LYS 18 8.606 28.572 23.890 140 2HG LYS 18 HG1 LYS 18 9.884 28.608 22.690 141 1HD LYS 18 HD2 LYS 18 8.596 30.079 21.198 142 2HD LYS 18 HD1 LYS 18 7.182 30.009 22.221 143 1HE LYS 18 HE2 LYS 18 9.846 31.257 23.037 144 2HE LYS 18 HE1 LYS 18 8.463 32.153 22.424 145 1HZ LYS 18 HZ1 LYS 18 7.568 30.386 24.413 146 2HZ LYS 18 HZ2 LYS 18 7.548 32.095 24.489 147 3HZ LYS 18 HZ3 LYS 18 8.883 31.216 25.073 148 HA PRO 19 HA PRO 19 12.448 24.443 22.523 149 1HB PRO 19 HB2 PRO 19 12.303 23.842 19.561 150 2HB PRO 19 HB1 PRO 19 12.994 22.838 20.844 151 1HG PRO 19 HG2 PRO 19 10.568 22.132 19.934 152 2HG PRO 19 HG1 PRO 19 10.728 22.299 21.690 153 1HD PRO 19 HD2 PRO 19 9.781 24.453 19.717 154 2HD PRO 19 HD1 PRO 19 8.892 23.752 21.107 155 H ALA 20 HN ALA 20 14.587 25.326 21.609 156 HA ALA 20 HA ALA 20 14.246 28.173 21.085 157 1HB ALA 20 HB1 ALA 20 16.766 26.445 21.079 158 2HB ALA 20 HB2 ALA 20 16.114 27.312 22.463 159 3HB ALA 20 HB3 ALA 20 16.752 28.196 21.083 160 H ASP 21 HN ASP 21 15.322 29.342 19.372 161 HA ASP 21 HA ASP 21 14.397 29.155 16.874 162 1HB ASP 21 HB2 ASP 21 17.230 29.909 17.718 163 2HB ASP 21 HB1 ASP 21 16.447 30.464 16.258 164 H GLU 22 HN GLU 22 17.635 27.825 17.542 165 HA GLU 22 HA GLU 22 17.931 26.399 15.177 166 1HB GLU 22 HB2 GLU 22 18.907 25.915 18.051 167 2HB GLU 22 HB1 GLU 22 19.473 24.861 16.781 168 1HG GLU 22 HG2 GLU 22 20.714 26.637 15.698 169 2HG GLU 22 HG1 GLU 22 19.833 27.880 16.553 170 H GLU 23 HN GLU 23 16.653 24.839 18.275 171 HA GLU 23 HA GLU 23 16.058 22.383 17.237 172 1HB GLU 23 HB2 GLU 23 14.417 24.124 19.122 173 2HB GLU 23 HB1 GLU 23 14.303 22.369 19.043 174 1HG GLU 23 HG2 GLU 23 16.778 23.979 19.954 175 2HG GLU 23 HG1 GLU 23 15.700 23.107 21.011 176 H MET 24 HN MET 24 14.029 25.223 17.254 177 HA MET 24 HA MET 24 11.769 24.237 15.793 178 1HB MET 24 HB2 MET 24 12.877 27.114 15.810 179 2HB MET 24 HB1 MET 24 11.286 26.666 15.222 180 1HG MET 24 HG2 MET 24 10.907 25.686 17.599 181 2HG MET 24 HG1 MET 24 12.302 26.637 18.035 182 1HE MET 24 HE1 MET 24 11.211 30.123 18.379 183 2HE MET 24 HE2 MET 24 12.467 29.287 17.492 184 3HE MET 24 HE3 MET 24 12.063 28.800 19.151 185 H LEU 25 HN LEU 25 14.626 25.948 14.536 186 HA LEU 25 HA LEU 25 14.037 25.920 11.824 187 1HB LEU 25 HB2 LEU 25 16.415 26.135 13.665 188 2HB LEU 25 HB1 LEU 25 16.779 25.896 11.993 189 HG LEU 25 HG LEU 25 14.747 28.002 12.839 190 1HD1 LEU 25 HD11 LEU 25 17.768 28.364 12.540 191 2HD1 LEU 25 HD12 LEU 25 16.911 28.432 14.058 192 3HD1 LEU 25 HD13 LEU 25 16.594 29.631 12.822 193 1HD2 LEU 25 HD21 LEU 25 15.525 28.910 10.649 194 2HD2 LEU 25 HD22 LEU 25 15.056 27.226 10.454 195 3HD2 LEU 25 HD23 LEU 25 16.743 27.662 10.579 196 H PHE 26 HN PHE 26 15.927 23.638 13.655 197 HA PHE 26 HA PHE 26 16.574 21.778 11.596 198 1HB PHE 26 HB2 PHE 26 17.512 21.802 13.947 199 2HB PHE 26 HB1 PHE 26 15.991 21.199 14.560 200 HD1 PHE 26 HD1 PHE 26 19.104 20.294 12.910 201 HD2 PHE 26 HD2 PHE 26 15.165 18.941 13.808 202 HE1 PHE 26 HE1 PHE 26 19.786 17.986 12.449 203 HE2 PHE 26 HE2 PHE 26 15.852 16.633 13.341 204 HZ PHE 26 HZ PHE 26 18.156 16.154 12.668 205 H ILE 27 HN ILE 27 13.940 21.699 13.996 206 HA ILE 27 HA ILE 27 12.447 19.561 12.882 207 HB ILE 27 HB ILE 27 11.668 22.114 14.324 208 1HG1 ILE 27 HG12 ILE 27 13.073 20.680 15.703 209 2HG1 ILE 27 HG11 ILE 27 11.451 20.683 16.358 210 1HG2 ILE 27 HG21 ILE 27 9.493 21.069 14.937 211 2HG2 ILE 27 HG22 ILE 27 9.892 19.663 14.008 212 3HG2 ILE 27 HG23 ILE 27 9.621 21.202 13.195 213 1HD1 ILE 27 HD1 ILE 27 11.069 18.430 15.244 214 2HD1 ILE 27 HD2 ILE 27 12.437 18.390 16.335 215 3HD1 ILE 27 HD3 ILE 27 12.714 18.491 14.606 216 H TYR 28 HN TYR 28 11.329 22.807 12.581 217 HA TYR 28 HA TYR 28 9.723 22.850 10.403 218 1HB TYR 28 HB2 TYR 28 10.732 24.955 11.512 219 2HB TYR 28 HB1 TYR 28 12.035 24.837 10.338 220 HD1 TYR 28 HD1 TYR 28 8.329 24.960 10.667 221 HD2 TYR 28 HD2 TYR 28 11.653 25.535 8.047 222 HE1 TYR 28 HE1 TYR 28 6.834 25.909 8.959 223 HE2 TYR 28 HE2 TYR 28 10.151 26.485 6.356 224 HH TYR 28 HH TYR 28 7.863 27.614 6.359 225 H SER 29 HN SER 29 13.331 23.106 9.638 226 HA SER 29 HA SER 29 13.124 22.796 6.938 227 1HB SER 29 HB2 SER 29 15.620 22.375 7.272 228 2HB SER 29 HB1 SER 29 15.072 23.641 8.349 229 HG SER 29 HG1 SER 29 14.978 22.238 9.991 230 H HIS 30 HN HIS 30 13.886 20.376 9.336 231 HA HIS 30 HA HIS 30 13.977 18.181 7.483 232 1HB HIS 30 HB2 HIS 30 13.665 18.367 10.519 233 2HB HIS 30 HB1 HIS 30 13.833 16.822 9.673 234 HD1 HIS 30 HD1 HIS 30 15.729 20.094 9.707 235 HD2 HIS 30 HD2 HIS 30 16.384 16.065 9.407 236 HE1 HIS 30 HE1 HIS 30 18.197 19.783 9.565 237 H TYR 31 HN TYR 31 11.290 19.751 9.089 238 HA TYR 31 HA TYR 31 9.506 17.471 8.580 239 1HB TYR 31 HB2 TYR 31 8.925 19.263 10.331 240 2HB TYR 31 HB1 TYR 31 8.654 20.410 9.040 241 HD1 TYR 31 HD1 TYR 31 6.786 20.031 7.436 242 HD2 TYR 31 HD2 TYR 31 7.439 17.320 10.676 243 HE1 TYR 31 HE1 TYR 31 4.577 18.953 7.048 244 HE2 TYR 31 HE2 TYR 31 5.255 16.281 10.254 245 HH TYR 31 HH TYR 31 3.522 16.017 8.768 246 H LYS 32 HN LYS 32 10.193 20.642 7.096 247 HA LYS 32 HA LYS 32 8.390 20.159 4.854 248 1HB LYS 32 HB2 LYS 32 10.945 21.821 4.787 249 2HB LYS 32 HB1 LYS 32 9.641 21.831 3.628 250 1HG LYS 32 HG2 LYS 32 9.461 22.789 6.470 251 2HG LYS 32 HG1 LYS 32 9.413 23.727 5.031 252 1HD LYS 32 HD2 LYS 32 7.284 22.374 4.319 253 2HD LYS 32 HD1 LYS 32 7.241 21.846 6.002 254 1HE LYS 32 HE2 LYS 32 7.384 24.231 6.695 255 2HE LYS 32 HE1 LYS 32 7.243 24.704 5.012 256 1HZ LYS 32 HZ1 LYS 32 5.138 22.869 5.712 257 2HZ LYS 32 HZ2 LYS 32 5.039 24.465 5.122 258 3HZ LYS 32 HZ3 LYS 32 5.142 24.187 6.779 259 H GLN 33 HN GLN 33 11.932 19.457 5.132 260 HA GLN 33 HA GLN 33 12.053 18.227 2.512 261 1HB GLN 33 HB2 GLN 33 14.151 18.667 3.754 262 2HB GLN 33 HB1 GLN 33 13.705 17.493 4.982 263 1HG GLN 33 HG2 GLN 33 15.285 16.485 3.295 264 2HG GLN 33 HG1 GLN 33 13.761 15.663 3.157 265 1HE2 GLN 33 HE21 GLN 33 13.420 15.273 0.897 266 2HE2 GLN 33 HE22 GLN 33 13.795 16.421 -0.303 267 H ALA 34 HN ALA 34 11.284 16.833 5.681 268 HA ALA 34 HA ALA 34 10.981 14.124 4.870 269 1HB ALA 34 HB1 ALA 34 9.594 13.952 6.948 270 2HB ALA 34 HB2 ALA 34 9.536 15.699 7.026 271 3HB ALA 34 HB3 ALA 34 11.062 14.869 7.238 272 H THR 35 HN THR 35 8.617 16.735 4.929 273 HA THR 35 HA THR 35 6.609 15.032 3.546 274 HB THR 35 HB THR 35 4.966 16.880 4.045 275 HG1 THR 35 HG1 THR 35 7.184 17.910 5.402 276 1HG2 THR 35 HG21 THR 35 5.114 16.650 6.433 277 2HG2 THR 35 HG22 THR 35 6.839 16.276 6.414 278 3HG2 THR 35 HG23 THR 35 5.666 15.123 5.801 279 H VAL 36 HN VAL 36 7.662 18.228 3.018 280 HA VAL 36 HA VAL 36 6.376 18.359 0.330 281 HB VAL 36 HB VAL 36 8.334 20.299 1.726 282 1HG1 VAL 36 HG11 VAL 36 7.550 21.972 0.008 283 2HG1 VAL 36 HG12 VAL 36 6.589 20.730 -0.766 284 3HG1 VAL 36 HG13 VAL 36 8.341 20.620 -0.782 285 1HG2 VAL 36 HG21 VAL 36 6.132 20.060 2.902 286 2HG2 VAL 36 HG22 VAL 36 5.302 20.448 1.403 287 3HG2 VAL 36 HG23 VAL 36 6.299 21.660 2.184 288 H GLY 37 HN GLY 37 9.578 18.391 1.579 289 1HA GLY 37 HA2 GLY 37 11.344 16.853 0.719 290 2HA GLY 37 HA1 GLY 37 10.710 17.158 -0.894 291 H ASP 38 HN ASP 38 12.571 17.662 -1.646 292 HA ASP 38 HA ASP 38 14.526 19.418 -0.840 293 1HB ASP 38 HB2 ASP 38 13.287 18.513 -3.463 294 2HB ASP 38 HB1 ASP 38 14.765 19.355 -3.552 295 H ILE 39 HN ILE 39 14.542 21.763 -0.646 296 HA ILE 39 HA ILE 39 12.026 23.062 -1.074 297 HB ILE 39 HB ILE 39 13.938 23.843 0.199 298 1HG1 ILE 39 HG12 ILE 39 12.615 26.097 -1.413 299 2HG1 ILE 39 HG11 ILE 39 11.614 24.963 -0.756 300 1HG2 ILE 39 HG21 ILE 39 14.677 25.104 -2.517 301 2HG2 ILE 39 HG22 ILE 39 15.734 24.042 -1.577 302 3HG2 ILE 39 HG23 ILE 39 15.307 25.648 -0.993 303 1HD1 ILE 39 HD1 ILE 39 12.773 25.000 1.460 304 2HD1 ILE 39 HD2 ILE 39 11.959 26.471 1.083 305 3HD1 ILE 39 HD3 ILE 39 13.714 26.352 0.927 306 H ASN 40 HN ASN 40 11.300 24.027 -2.411 307 HA ASN 40 HA ASN 40 12.146 23.913 -5.311 308 1HB ASN 40 HB2 ASN 40 9.351 24.569 -4.077 309 2HB ASN 40 HB1 ASN 40 9.674 24.333 -5.797 310 1HD2 ASN 40 HD21 ASN 40 9.306 22.716 -2.722 311 2HD2 ASN 40 HD22 ASN 40 9.424 21.142 -3.358 312 H THR 41 HN THR 41 10.069 26.245 -3.744 313 HA THR 41 HA THR 41 12.125 28.235 -3.462 314 HB THR 41 HB THR 41 11.193 29.891 -4.774 315 HG1 THR 41 HG1 THR 41 9.173 28.529 -5.133 316 1HG2 THR 41 HG21 THR 41 11.947 29.177 -7.117 317 2HG2 THR 41 HG22 THR 41 11.944 27.518 -6.551 318 3HG2 THR 41 HG23 THR 41 13.088 28.666 -5.871 319 H GLU 42 HN GLU 42 11.402 28.440 -1.651 320 HA GLU 42 HA GLU 42 8.828 29.938 -1.215 321 1HB GLU 42 HB2 GLU 42 10.077 27.765 0.488 322 2HB GLU 42 HB1 GLU 42 8.731 28.734 1.044 323 1HG GLU 42 HG2 GLU 42 7.937 26.466 0.237 324 2HG GLU 42 HG1 GLU 42 7.303 27.721 -0.804 325 H ARG 43 HN ARG 43 11.552 30.396 -1.642 326 HA ARG 43 HA ARG 43 12.923 31.331 0.585 327 1HB ARG 43 HB2 ARG 43 13.836 30.797 -1.697 328 2HB ARG 43 HB1 ARG 43 13.315 32.401 -2.163 329 1HG ARG 43 HG2 ARG 43 14.633 33.424 -0.288 330 2HG ARG 43 HG1 ARG 43 15.151 31.822 0.210 331 1HD ARG 43 HD2 ARG 43 16.159 31.474 -1.999 332 2HD ARG 43 HD1 ARG 43 15.688 33.133 -2.445 333 HE ARG 43 HE ARG 43 17.035 33.702 -0.198 334 1HH1 ARG 43 HH21 ARG 43 18.157 33.462 -2.766 335 2HH1 ARG 43 HH22 ARG 43 19.655 32.605 -2.577 336 1HH2 ARG 43 HH11 ARG 43 18.621 31.496 0.601 337 2HH2 ARG 43 HH12 ARG 43 19.865 31.473 -0.569 338 HA PRO 44 HA PRO 44 11.112 34.983 2.266 339 1HB PRO 44 HB2 PRO 44 14.062 35.620 1.812 340 2HB PRO 44 HB1 PRO 44 13.018 36.210 3.111 341 1HG PRO 44 HG2 PRO 44 14.517 33.921 3.309 342 2HG PRO 44 HG1 PRO 44 12.968 34.024 4.158 343 1HD PRO 44 HD2 PRO 44 13.795 32.324 1.925 344 2HD PRO 44 HD1 PRO 44 12.232 32.272 2.749 345 H GLY 45 HN GLY 45 13.465 35.791 -0.070 346 1HA GLY 45 HA2 GLY 45 13.285 37.040 -2.143 347 2HA GLY 45 HA1 GLY 45 11.558 36.786 -2.039 348 H MET 46 HN MET 46 10.667 38.145 0.012 349 HA MET 46 HA MET 46 11.322 40.934 -0.729 350 1HB MET 46 HB2 MET 46 8.932 39.825 -0.646 351 2HB MET 46 HB1 MET 46 9.058 39.914 1.085 352 1HG MET 46 HG2 MET 46 9.039 42.342 1.054 353 2HG MET 46 HG1 MET 46 9.396 42.394 -0.648 354 1HE MET 46 HE1 MET 46 5.499 42.320 1.562 355 2HE MET 46 HE2 MET 46 7.118 42.556 2.160 356 3HE MET 46 HE3 MET 46 6.527 40.915 1.830 357 H LEU 47 HN LEU 47 10.576 42.096 1.742 358 HA LEU 47 HA LEU 47 13.095 41.809 3.195 359 1HB LEU 47 HB2 LEU 47 11.973 43.994 2.483 360 2HB LEU 47 HB1 LEU 47 10.703 43.658 3.638 361 HG LEU 47 HG LEU 47 12.393 43.704 5.470 362 1HD1 LEU 47 HD11 LEU 47 14.634 44.685 4.926 363 2HD1 LEU 47 HD12 LEU 47 14.215 44.670 3.222 364 3HD1 LEU 47 HD13 LEU 47 14.403 43.159 4.093 365 1HD2 LEU 47 HD21 LEU 47 11.062 45.710 4.863 366 2HD2 LEU 47 HD22 LEU 47 12.273 46.185 3.682 367 3HD2 LEU 47 HD23 LEU 47 12.664 46.195 5.395 368 H ASP 48 HN ASP 48 12.095 39.511 3.559 369 HA ASP 48 HA ASP 48 10.582 39.432 6.141 370 1HB ASP 48 HB2 ASP 48 10.968 37.141 4.193 371 2HB ASP 48 HB1 ASP 48 9.795 37.284 5.506 372 H PHE 49 HN PHE 49 12.598 39.975 7.183 373 HA PHE 49 HA PHE 49 14.828 38.315 7.596 374 1HB PHE 49 HB2 PHE 49 13.385 39.697 9.939 375 2HB PHE 49 HB1 PHE 49 15.086 39.319 9.819 376 HD1 PHE 49 HD1 PHE 49 12.429 41.511 8.369 377 HD2 PHE 49 HD2 PHE 49 16.623 40.919 8.906 378 HE1 PHE 49 HE1 PHE 49 12.853 43.752 7.523 379 HE2 PHE 49 HE2 PHE 49 17.037 43.189 8.050 380 HZ PHE 49 HZ PHE 49 15.157 44.610 7.362 381 H LYS 50 HN LYS 50 11.611 38.086 9.294 382 HA LYS 50 HA LYS 50 12.337 35.629 10.629 383 1HB LYS 50 HB2 LYS 50 9.561 36.828 10.083 384 2HB LYS 50 HB1 LYS 50 9.980 35.755 11.404 385 1HG LYS 50 HG2 LYS 50 11.423 37.552 12.393 386 2HG LYS 50 HG1 LYS 50 10.966 38.627 11.087 387 1HD LYS 50 HD2 LYS 50 8.468 38.072 11.791 388 2HD LYS 50 HD1 LYS 50 9.183 37.436 13.253 389 1HE LYS 50 HE2 LYS 50 8.619 39.719 13.750 390 2HE LYS 50 HE1 LYS 50 10.371 39.650 13.552 391 1HZ LYS 50 HZ1 LYS 50 8.526 41.164 11.988 392 2HZ LYS 50 HZ2 LYS 50 9.231 39.979 11.009 393 3HZ LYS 50 HZ3 LYS 50 10.212 41.078 11.836 394 H GLY 51 HN GLY 51 11.901 33.637 9.678 395 1HA GLY 51 HA2 GLY 51 10.714 32.242 8.013 396 2HA GLY 51 HA1 GLY 51 10.688 33.649 6.929 397 H LYS 52 HN LYS 52 12.904 34.659 6.756 398 HA LYS 52 HA LYS 52 14.702 33.378 5.148 399 1HB LYS 52 HB2 LYS 52 14.936 35.726 6.018 400 2HB LYS 52 HB1 LYS 52 15.568 35.104 7.515 401 1HG LYS 52 HG2 LYS 52 17.530 35.724 6.314 402 2HG LYS 52 HG1 LYS 52 17.456 33.993 6.092 403 1HD LYS 52 HD2 LYS 52 16.275 34.361 3.872 404 2HD LYS 52 HD1 LYS 52 16.408 36.083 4.099 405 1HE LYS 52 HE2 LYS 52 18.160 35.321 2.576 406 2HE LYS 52 HE1 LYS 52 18.925 35.790 4.093 407 1HZ LYS 52 HZ1 LYS 52 18.032 33.168 4.381 408 2HZ LYS 52 HZ2 LYS 52 19.657 33.638 4.318 409 3HZ LYS 52 HZ3 LYS 52 18.782 33.082 2.964 410 H ALA 53 HN ALA 53 15.137 33.083 8.638 411 HA ALA 53 HA ALA 53 17.314 31.185 8.374 412 1HB ALA 53 HB1 ALA 53 15.275 31.546 10.651 413 2HB ALA 53 HB2 ALA 53 16.777 32.431 10.461 414 3HB ALA 53 HB3 ALA 53 16.827 30.720 10.793 415 H LYS 54 HN LYS 54 13.869 30.584 9.195 416 HA LYS 54 HA LYS 54 13.875 27.801 8.939 417 1HB LYS 54 HB2 LYS 54 11.814 29.963 8.601 418 2HB LYS 54 HB1 LYS 54 11.351 28.356 8.093 419 1HG LYS 54 HG2 LYS 54 10.634 28.599 10.352 420 2HG LYS 54 HG1 LYS 54 11.965 27.482 10.331 421 1HD LYS 54 HD2 LYS 54 13.564 29.142 11.156 422 2HD LYS 54 HD1 LYS 54 12.403 30.441 11.005 423 1HE LYS 54 HE2 LYS 54 12.026 27.994 12.783 424 2HE LYS 54 HE1 LYS 54 12.668 29.535 13.358 425 1HZ LYS 54 HZ1 LYS 54 10.483 30.091 11.745 426 2HZ LYS 54 HZ2 LYS 54 10.550 30.289 13.453 427 3HZ LYS 54 HZ3 LYS 54 9.932 28.870 12.784 428 H TRP 55 HN TRP 55 13.428 30.147 6.210 429 HA TRP 55 HA TRP 55 12.955 28.069 4.408 430 1HB TRP 55 HB2 TRP 55 12.484 30.533 4.056 431 2HB TRP 55 HB1 TRP 55 14.184 30.763 3.731 432 HD1 TRP 55 HD1 TRP 55 11.073 28.920 2.333 433 HE1 TRP 55 HE1 TRP 55 11.755 28.132 -0.034 434 HE3 TRP 55 HE3 TRP 55 15.940 30.096 2.235 435 HZ2 TRP 55 HZ2 TRP 55 13.893 28.041 -1.759 436 HZ3 TRP 55 HZ3 TRP 55 17.306 29.605 0.281 437 HH2 TRP 55 HH2 TRP 55 16.278 28.612 -1.780 438 H ASP 56 HN ASP 56 15.753 30.039 4.834 439 HA ASP 56 HA ASP 56 17.435 28.564 3.066 440 1HB ASP 56 HB2 ASP 56 17.890 30.297 5.475 441 2HB ASP 56 HB1 ASP 56 19.241 29.554 4.666 442 H ALA 57 HN ALA 57 16.764 28.017 6.468 443 HA ALA 57 HA ALA 57 18.492 25.870 6.920 444 1HB ALA 57 HB1 ALA 57 15.800 26.528 8.188 445 2HB ALA 57 HB2 ALA 57 17.359 27.188 8.686 446 3HB ALA 57 HB3 ALA 57 17.014 25.473 8.905 447 H TRP 58 HN TRP 58 15.144 26.017 5.615 448 HA TRP 58 HA TRP 58 15.004 23.068 5.485 449 1HB TRP 58 HB2 TRP 58 12.906 24.348 5.685 450 2HB TRP 58 HB1 TRP 58 13.340 25.331 4.320 451 HD1 TRP 58 HD1 TRP 58 14.205 21.521 3.738 452 HE1 TRP 58 HE1 TRP 58 12.469 20.847 1.963 453 HE3 TRP 58 HE3 TRP 58 11.034 25.482 3.709 454 HZ2 TRP 58 HZ2 TRP 58 10.203 21.676 0.670 455 HZ3 TRP 58 HZ3 TRP 58 9.074 25.519 2.213 456 HH2 TRP 58 HH2 TRP 58 8.678 23.645 0.660 457 H ASN 59 HN ASN 59 15.135 25.722 2.915 458 HA ASN 59 HA ASN 59 15.652 24.417 0.736 459 1HB ASN 59 HB2 ASN 59 15.714 26.844 0.868 460 2HB ASN 59 HB1 ASN 59 16.998 26.771 2.046 461 1HD2 ASN 59 HD21 ASN 59 18.726 27.676 1.193 462 2HD2 ASN 59 HD22 ASN 59 19.325 27.266 -0.367 463 H GLU 60 HN GLU 60 18.416 25.044 2.985 464 HA GLU 60 HA GLU 60 20.319 23.735 1.561 465 1HB GLU 60 HB2 GLU 60 19.779 24.134 4.528 466 2HB GLU 60 HB1 GLU 60 21.241 23.332 3.968 467 1HG GLU 60 HG2 GLU 60 20.396 26.101 2.891 468 2HG GLU 60 HG1 GLU 60 21.521 25.897 4.219 469 H LEU 61 HN LEU 61 17.648 22.102 3.003 470 HA LEU 61 HA LEU 61 18.904 19.508 3.220 471 1HB LEU 61 HB2 LEU 61 16.001 20.319 3.344 472 2HB LEU 61 HB1 LEU 61 16.624 18.739 3.770 473 HG LEU 61 HG LEU 61 17.399 21.358 5.187 474 1HD1 LEU 61 HD11 LEU 61 15.154 20.554 5.719 475 2HD1 LEU 61 HD12 LEU 61 16.234 20.354 7.104 476 3HD1 LEU 61 HD13 LEU 61 15.780 18.965 6.127 477 1HD2 LEU 61 HD21 LEU 61 19.298 19.711 5.194 478 2HD2 LEU 61 HD22 LEU 61 18.203 18.472 5.819 479 3HD2 LEU 61 HD23 LEU 61 18.594 19.898 6.776 480 H LYS 62 HN LYS 62 17.766 21.248 0.500 481 HA LYS 62 HA LYS 62 16.484 19.360 -1.076 482 1HB LYS 62 HB2 LYS 62 17.098 21.929 -1.362 483 2HB LYS 62 HB1 LYS 62 18.634 21.342 -1.962 484 1HG LYS 62 HG2 LYS 62 17.335 20.009 -3.751 485 2HG LYS 62 HG1 LYS 62 15.912 20.689 -3.010 486 1HD LYS 62 HD2 LYS 62 16.588 21.965 -5.087 487 2HD LYS 62 HD1 LYS 62 16.166 22.841 -3.641 488 1HE LYS 62 HE2 LYS 62 18.188 23.758 -4.770 489 2HE LYS 62 HE1 LYS 62 18.495 23.278 -3.105 490 1HZ LYS 62 HZ1 LYS 62 18.769 21.014 -4.720 491 2HZ LYS 62 HZ2 LYS 62 19.997 21.820 -3.844 492 3HZ LYS 62 HZ3 LYS 62 19.689 22.226 -5.471 493 H GLY 63 HN GLY 63 17.093 17.432 -1.441 494 1HA GLY 63 HA2 GLY 63 18.741 15.908 -2.617 495 2HA GLY 63 HA1 GLY 63 20.007 16.638 -1.625 496 H THR 64 HN THR 64 17.855 16.552 0.596 497 HA THR 64 HA THR 64 18.731 13.924 1.617 498 HB THR 64 HB THR 64 17.362 16.323 2.857 499 HG1 THR 64 HG1 THR 64 19.404 14.874 3.988 500 1HG2 THR 64 HG21 THR 64 16.293 14.223 3.937 501 2HG2 THR 64 HG22 THR 64 17.333 15.113 5.015 502 3HG2 THR 64 HG23 THR 64 17.902 13.624 4.289 503 H SER 65 HN SER 65 17.476 12.359 2.518 504 HA SER 65 HA SER 65 15.171 11.516 0.981 505 1HB SER 65 HB2 SER 65 16.406 9.608 1.517 506 2HB SER 65 HB1 SER 65 17.028 10.297 3.004 507 HG SER 65 HG1 SER 65 15.617 8.846 3.717 508 H LYS 66 HN LYS 66 13.053 11.434 1.527 509 HA LYS 66 HA LYS 66 12.076 13.190 3.504 510 1HB LYS 66 HB2 LYS 66 10.748 10.806 2.093 511 2HB LYS 66 HB1 LYS 66 9.842 11.949 3.078 512 1HG LYS 66 HG2 LYS 66 10.766 13.819 1.742 513 2HG LYS 66 HG1 LYS 66 11.578 12.703 0.668 514 1HD LYS 66 HD2 LYS 66 9.061 11.752 0.366 515 2HD LYS 66 HD1 LYS 66 8.638 13.305 1.071 516 1HE LYS 66 HE2 LYS 66 8.676 13.725 -1.299 517 2HE LYS 66 HE1 LYS 66 10.146 14.431 -0.646 518 1HZ LYS 66 HZ1 LYS 66 11.381 13.022 -1.918 519 2HZ LYS 66 HZ2 LYS 66 9.950 12.388 -2.587 520 3HZ LYS 66 HZ3 LYS 66 10.617 11.675 -1.214 521 H GLU 67 HN GLU 67 12.679 9.681 3.519 522 HA GLU 67 HA GLU 67 11.682 9.119 6.059 523 1HB GLU 67 HB2 GLU 67 13.827 7.794 4.279 524 2HB GLU 67 HB1 GLU 67 12.972 7.001 5.564 525 1HG GLU 67 HG2 GLU 67 10.794 7.229 4.355 526 2HG GLU 67 HG1 GLU 67 11.554 8.135 3.081 527 H ASP 68 HN ASP 68 15.029 10.065 4.967 528 HA ASP 68 HA ASP 68 16.221 9.813 7.511 529 1HB ASP 68 HB2 ASP 68 16.741 11.364 4.966 530 2HB ASP 68 HB1 ASP 68 17.845 11.463 6.308 531 H ALA 69 HN ALA 69 14.742 12.407 5.884 532 HA ALA 69 HA ALA 69 15.057 14.465 7.888 533 1HB ALA 69 HB1 ALA 69 13.174 15.562 6.626 534 2HB ALA 69 HB2 ALA 69 12.800 14.001 5.882 535 3HB ALA 69 HB3 ALA 69 14.309 14.799 5.519 536 H MET 70 HN MET 70 12.278 12.148 7.299 537 HA MET 70 HA MET 70 10.785 12.705 9.506 538 1HB MET 70 HB2 MET 70 11.372 10.256 7.840 539 2HB MET 70 HB1 MET 70 10.417 10.060 9.242 540 1HG MET 70 HG2 MET 70 9.064 12.112 8.144 541 2HG MET 70 HG1 MET 70 9.998 11.717 6.762 542 1HE MET 70 HE1 MET 70 8.424 11.809 5.352 543 2HE MET 70 HE2 MET 70 6.809 11.727 6.064 544 3HE MET 70 HE3 MET 70 7.354 10.504 4.905 545 H LYS 71 HN LYS 71 13.193 10.247 9.303 546 HA LYS 71 HA LYS 71 13.277 9.322 11.934 547 1HB LYS 71 HB2 LYS 71 15.610 9.616 9.989 548 2HB LYS 71 HB1 LYS 71 15.641 8.589 11.405 549 1HG LYS 71 HG2 LYS 71 13.503 8.271 9.287 550 2HG LYS 71 HG1 LYS 71 15.076 7.547 9.111 551 1HD LYS 71 HD2 LYS 71 14.603 6.387 11.397 552 2HD LYS 71 HD1 LYS 71 13.041 7.159 11.419 553 1HE LYS 71 HE2 LYS 71 12.828 4.870 10.569 554 2HE LYS 71 HE1 LYS 71 12.402 6.038 9.324 555 1HZ LYS 71 HZ1 LYS 71 14.570 4.150 9.266 556 2HZ LYS 71 HZ2 LYS 71 15.148 5.747 9.252 557 3HZ LYS 71 HZ3 LYS 71 14.118 5.212 8.021 558 H ALA 72 HN ALA 72 15.598 11.716 10.565 559 HA ALA 72 HA ALA 72 16.842 12.427 12.901 560 1HB ALA 72 HB1 ALA 72 16.143 14.048 10.405 561 2HB ALA 72 HB2 ALA 72 17.532 12.989 10.590 562 3HB ALA 72 HB3 ALA 72 17.440 14.470 11.521 563 H TYR 73 HN TYR 73 13.916 13.737 11.445 564 HA TYR 73 HA TYR 73 13.459 15.883 13.233 565 1HB TYR 73 HB2 TYR 73 12.457 15.461 11.007 566 2HB TYR 73 HB1 TYR 73 11.611 14.076 11.612 567 HD1 TYR 73 HD1 TYR 73 11.731 17.638 11.398 568 HD2 TYR 73 HD2 TYR 73 9.708 14.370 13.242 569 HE1 TYR 73 HE1 TYR 73 9.902 19.099 11.957 570 HE2 TYR 73 HE2 TYR 73 7.879 15.842 13.802 571 HH TYR 73 HH TYR 73 7.858 19.209 12.756 572 H ILE 74 HN ILE 74 12.084 12.653 13.154 573 HA ILE 74 HA ILE 74 10.667 12.601 15.587 574 HB ILE 74 HB ILE 74 12.179 10.273 14.316 575 1HG1 ILE 74 HG12 ILE 74 9.213 10.905 14.144 576 2HG1 ILE 74 HG11 ILE 74 10.304 11.592 12.969 577 1HG2 ILE 74 HG21 ILE 74 10.530 8.927 15.645 578 2HG2 ILE 74 HG22 ILE 74 9.841 10.389 16.332 579 3HG2 ILE 74 HG23 ILE 74 11.487 9.904 16.713 580 1HD1 ILE 74 HD1 ILE 74 9.394 9.422 12.131 581 2HD1 ILE 74 HD2 ILE 74 10.010 8.599 13.548 582 3HD1 ILE 74 HD3 ILE 74 11.120 9.302 12.401 583 H ASP 75 HN ASP 75 14.076 11.418 15.110 584 HA ASP 75 HA ASP 75 14.630 10.872 17.785 585 1HB ASP 75 HB2 ASP 75 16.191 11.657 15.315 586 2HB ASP 75 HB1 ASP 75 17.021 11.407 16.822 587 H LYS 76 HN LYS 76 14.790 13.830 16.009 588 HA LYS 76 HA LYS 76 15.947 15.376 18.200 589 1HB LYS 76 HB2 LYS 76 15.068 15.917 15.494 590 2HB LYS 76 HB1 LYS 76 14.300 17.113 16.503 591 1HG LYS 76 HG2 LYS 76 17.282 16.454 16.455 592 2HG LYS 76 HG1 LYS 76 16.555 17.856 15.720 593 1HD LYS 76 HD2 LYS 76 15.965 18.858 17.856 594 2HD LYS 76 HD1 LYS 76 16.444 17.405 18.726 595 1HE LYS 76 HE2 LYS 76 18.763 17.634 17.929 596 2HE LYS 76 HE1 LYS 76 18.323 19.084 17.026 597 1HZ LYS 76 HZ1 LYS 76 18.874 18.753 19.795 598 2HZ LYS 76 HZ2 LYS 76 17.403 19.479 19.640 599 3HZ LYS 76 HZ3 LYS 76 18.688 20.272 18.968 600 H VAL 77 HN VAL 77 12.466 14.657 17.177 601 HA VAL 77 HA VAL 77 11.374 16.313 19.223 602 HB VAL 77 HB VAL 77 10.345 13.712 17.929 603 1HG1 VAL 77 HG11 VAL 77 9.276 14.220 20.159 604 2HG1 VAL 77 HG12 VAL 77 8.129 14.508 18.855 605 3HG1 VAL 77 HG13 VAL 77 8.959 15.857 19.621 606 1HG2 VAL 77 HG21 VAL 77 10.716 15.680 16.366 607 2HG2 VAL 77 HG22 VAL 77 9.762 16.702 17.421 608 3HG2 VAL 77 HG23 VAL 77 8.994 15.400 16.560 609 H GLU 78 HN GLU 78 12.398 12.890 19.190 610 HA GLU 78 HA GLU 78 11.896 12.098 21.803 611 1HB GLU 78 HB2 GLU 78 14.083 11.493 19.803 612 2HB GLU 78 HB1 GLU 78 14.432 10.986 21.420 613 1HG GLU 78 HG2 GLU 78 11.776 10.235 20.063 614 2HG GLU 78 HG1 GLU 78 13.220 9.258 19.871 615 H GLU 79 HN GLU 79 14.826 13.965 20.705 616 HA GLU 79 HA GLU 79 15.933 14.408 23.295 617 1HB GLU 79 HB2 GLU 79 15.929 16.202 20.807 618 2HB GLU 79 HB1 GLU 79 16.738 16.719 22.266 619 1HG GLU 79 HG2 GLU 79 18.220 14.660 22.071 620 2HG GLU 79 HG1 GLU 79 17.450 14.305 20.536 621 H LEU 80 HN LEU 80 13.932 16.569 21.399 622 HA LEU 80 HA LEU 80 13.321 18.474 23.371 623 1HB LEU 80 HB2 LEU 80 11.602 17.463 21.077 624 2HB LEU 80 HB1 LEU 80 11.279 18.949 21.932 625 HG LEU 80 HG LEU 80 13.710 18.284 20.224 626 1HD1 LEU 80 HD11 LEU 80 12.830 20.188 18.925 627 2HD1 LEU 80 HD12 LEU 80 11.539 20.368 20.104 628 3HD1 LEU 80 HD13 LEU 80 11.593 18.941 19.072 629 1HD2 LEU 80 HD21 LEU 80 13.146 20.771 21.898 630 2HD2 LEU 80 HD22 LEU 80 14.432 20.625 20.732 631 3HD2 LEU 80 HD23 LEU 80 14.477 19.642 22.166 632 H LYS 81 HN LYS 81 11.691 15.537 23.023 633 HA LYS 81 HA LYS 81 9.575 16.410 24.881 634 1HB LYS 81 HB2 LYS 81 9.191 14.946 23.062 635 2HB LYS 81 HB1 LYS 81 10.361 13.739 23.585 636 1HG LYS 81 HG2 LYS 81 8.897 12.981 25.325 637 2HG LYS 81 HG1 LYS 81 8.053 14.518 25.405 638 1HD LYS 81 HD2 LYS 81 6.716 12.592 24.345 639 2HD LYS 81 HD1 LYS 81 6.748 14.088 23.445 640 1HE LYS 81 HE2 LYS 81 8.335 13.223 21.847 641 2HE LYS 81 HE1 LYS 81 8.706 11.825 22.843 642 1HZ LYS 81 HZ1 LYS 81 5.876 11.951 22.336 643 2HZ LYS 81 HZ2 LYS 81 6.981 10.738 21.839 644 3HZ LYS 81 HZ3 LYS 81 6.587 12.097 20.922 645 H LYS 82 HN LYS 82 12.481 14.341 25.018 646 HA LYS 82 HA LYS 82 12.202 13.884 27.891 647 1HB LYS 82 HB2 LYS 82 14.466 13.698 25.900 648 2HB LYS 82 HB1 LYS 82 14.901 13.703 27.599 649 1HG LYS 82 HG2 LYS 82 14.504 11.450 27.548 650 2HG LYS 82 HG1 LYS 82 12.821 11.943 27.597 651 1HD LYS 82 HD2 LYS 82 12.475 11.709 25.255 652 2HD LYS 82 HD1 LYS 82 14.192 11.532 24.949 653 1HE LYS 82 HE2 LYS 82 14.262 9.435 26.250 654 2HE LYS 82 HE1 LYS 82 12.564 9.623 26.672 655 1HZ LYS 82 HZ1 LYS 82 12.734 9.842 23.881 656 2HZ LYS 82 HZ2 LYS 82 12.033 8.596 24.664 657 3HZ LYS 82 HZ3 LYS 82 13.638 8.535 24.190 658 H LYS 83 HN LYS 83 13.511 16.389 26.015 659 HA LYS 83 HA LYS 83 14.803 17.940 28.078 660 1HB LYS 83 HB2 LYS 83 15.151 17.917 25.509 661 2HB LYS 83 HB1 LYS 83 13.747 18.874 25.441 662 1HG LYS 83 HG2 LYS 83 14.540 20.814 26.298 663 2HG LYS 83 HG1 LYS 83 15.806 20.089 27.243 664 1HD LYS 83 HD2 LYS 83 15.798 19.879 24.182 665 2HD LYS 83 HD1 LYS 83 16.352 21.349 24.937 666 1HE LYS 83 HE2 LYS 83 17.981 19.291 24.288 667 2HE LYS 83 HE1 LYS 83 18.353 20.421 25.578 668 1HZ LYS 83 HZ1 LYS 83 16.644 18.424 26.604 669 2HZ LYS 83 HZ2 LYS 83 18.235 18.735 27.049 670 3HZ LYS 83 HZ3 LYS 83 17.922 17.646 25.789 671 H TYR 84 HN TYR 84 11.880 18.342 26.430 672 HA TYR 84 HA TYR 84 11.049 20.551 28.247 673 1HB TYR 84 HB2 TYR 84 10.160 19.744 25.463 674 2HB TYR 84 HB1 TYR 84 9.321 20.955 26.394 675 HD1 TYR 84 HD1 TYR 84 10.804 22.806 27.467 676 HD2 TYR 84 HD2 TYR 84 12.029 20.456 24.142 677 HE1 TYR 84 HE1 TYR 84 12.423 24.542 26.838 678 HE2 TYR 84 HE2 TYR 84 13.681 22.226 23.529 679 HH TYR 84 HH TYR 84 13.553 25.303 25.013 680 H GLY 85 HN GLY 85 9.757 17.305 27.516 681 1HA GLY 85 HA2 GLY 85 8.233 16.240 29.058 682 2HA GLY 85 HA1 GLY 85 7.777 17.797 29.695 683 H ILE 86 HN ILE 86 5.697 16.776 29.690 684 HA ILE 86 HA ILE 86 4.152 17.258 27.204 685 HB ILE 86 HB ILE 86 4.639 14.773 27.453 686 1HG1 ILE 86 HG12 ILE 86 1.730 15.619 27.857 687 2HG1 ILE 86 HG11 ILE 86 2.568 15.564 26.317 688 1HG2 ILE 86 HG21 ILE 86 3.606 13.532 29.369 689 2HG2 ILE 86 HG22 ILE 86 3.014 15.047 30.038 690 3HG2 ILE 86 HG23 ILE 86 4.736 14.728 29.963 691 1HD1 ILE 86 HD1 ILE 86 2.892 13.089 26.637 692 2HD1 ILE 86 HD2 ILE 86 1.198 13.542 26.576 693 3HD1 ILE 86 HD3 ILE 86 1.950 13.179 28.121 Start of MODEL 11 1 1H SER 1 HT1 SER 1 6.723 2.685 7.310 2 2H SER 1 HT2 SER 1 7.546 4.194 7.261 3 3H SER 1 HT3 SER 1 6.887 3.522 5.842 4 HA SER 1 HA SER 1 4.871 4.448 6.300 5 1HB SER 1 HB2 SER 1 5.178 3.431 9.195 6 2HB SER 1 HB1 SER 1 3.664 3.659 8.287 7 HG SER 1 HG1 SER 1 4.116 1.561 7.714 8 H GLN 2 HN GLN 2 3.932 6.411 7.755 9 HA GLN 2 HA GLN 2 6.268 7.948 8.864 10 1HB GLN 2 HB2 GLN 2 5.471 9.947 7.809 11 2HB GLN 2 HB1 GLN 2 5.476 8.700 6.559 12 1HG GLN 2 HG2 GLN 2 3.001 8.382 6.869 13 2HG GLN 2 HG1 GLN 2 3.006 9.573 8.165 14 1HE2 GLN 2 HE21 GLN 2 2.606 11.699 7.521 15 2HE2 GLN 2 HE22 GLN 2 2.718 12.195 5.883 16 H ALA 3 HN ALA 3 3.541 6.604 9.847 17 HA ALA 3 HA ALA 3 2.096 8.547 11.281 18 1HB ALA 3 HB1 ALA 3 1.447 6.159 11.055 19 2HB ALA 3 HB2 ALA 3 1.446 6.606 12.744 20 3HB ALA 3 HB3 ALA 3 2.777 5.661 12.091 21 H GLU 4 HN GLU 4 5.055 6.806 12.313 22 HA GLU 4 HA GLU 4 5.206 8.014 14.850 23 1HB GLU 4 HB2 GLU 4 7.481 7.240 14.849 24 2HB GLU 4 HB1 GLU 4 6.487 6.010 14.115 25 1HG GLU 4 HG2 GLU 4 8.635 7.730 12.828 26 2HG GLU 4 HG1 GLU 4 8.479 6.012 12.781 27 H PHE 5 HN PHE 5 6.149 9.176 11.800 28 HA PHE 5 HA PHE 5 7.618 11.534 12.840 29 1HB PHE 5 HB2 PHE 5 8.247 10.687 10.598 30 2HB PHE 5 HB1 PHE 5 6.552 10.814 10.157 31 HD1 PHE 5 HD1 PHE 5 5.538 12.873 9.607 32 HD2 PHE 5 HD2 PHE 5 9.610 12.862 10.826 33 HE1 PHE 5 HE1 PHE 5 5.743 15.163 8.846 34 HE2 PHE 5 HE2 PHE 5 9.828 15.202 10.032 35 HZ PHE 5 HZ PHE 5 7.883 16.342 9.030 36 H ASP 6 HN ASP 6 4.411 11.116 11.182 37 HA ASP 6 HA ASP 6 3.538 13.756 11.424 38 1HB ASP 6 HB2 ASP 6 2.143 11.040 11.616 39 2HB ASP 6 HB1 ASP 6 1.304 12.551 11.394 40 H LYS 7 HN LYS 7 3.190 11.052 13.535 41 HA LYS 7 HA LYS 7 2.017 12.290 15.787 42 1HB LYS 7 HB2 LYS 7 2.567 9.794 15.596 43 2HB LYS 7 HB1 LYS 7 4.247 10.157 15.916 44 1HG LYS 7 HG2 LYS 7 3.431 9.654 18.093 45 2HG LYS 7 HG1 LYS 7 3.329 11.400 18.077 46 1HD LYS 7 HD2 LYS 7 0.890 11.120 17.152 47 2HD LYS 7 HD1 LYS 7 0.996 9.446 17.610 48 1HE LYS 7 HE2 LYS 7 1.210 11.870 19.420 49 2HE LYS 7 HE1 LYS 7 -0.129 10.735 19.345 50 1HZ LYS 7 HZ1 LYS 7 2.226 10.573 20.870 51 2HZ LYS 7 HZ2 LYS 7 2.246 9.278 19.775 52 3HZ LYS 7 HZ3 LYS 7 0.953 9.435 20.867 53 H ALA 8 HN ALA 8 5.660 11.950 15.049 54 HA ALA 8 HA ALA 8 6.382 13.529 17.241 55 1HB ALA 8 HB1 ALA 8 7.679 13.264 14.464 56 2HB ALA 8 HB2 ALA 8 8.002 12.213 15.829 57 3HB ALA 8 HB3 ALA 8 8.537 13.862 15.869 58 H ALA 9 HN ALA 9 5.677 14.544 14.091 59 HA ALA 9 HA ALA 9 6.128 17.363 14.269 60 1HB ALA 9 HB1 ALA 9 5.657 16.205 12.104 61 2HB ALA 9 HB2 ALA 9 4.563 17.571 12.291 62 3HB ALA 9 HB3 ALA 9 4.002 15.935 12.615 63 H GLU 10 HN GLU 10 3.185 15.572 14.901 64 HA GLU 10 HA GLU 10 1.563 17.803 15.586 65 1HB GLU 10 HB2 GLU 10 0.750 15.644 14.730 66 2HB GLU 10 HB1 GLU 10 1.470 14.806 16.084 67 1HG GLU 10 HG2 GLU 10 -0.028 15.952 17.673 68 2HG GLU 10 HG1 GLU 10 -0.772 16.868 16.375 69 H GLU 11 HN GLU 11 3.549 15.440 17.482 70 HA GLU 11 HA GLU 11 2.758 16.422 20.002 71 1HB GLU 11 HB2 GLU 11 5.063 14.781 18.915 72 2HB GLU 11 HB1 GLU 11 4.974 15.164 20.591 73 1HG GLU 11 HG2 GLU 11 2.468 14.109 20.365 74 2HG GLU 11 HG1 GLU 11 3.174 13.347 18.968 75 H VAL 12 HN VAL 12 5.637 17.163 17.968 76 HA VAL 12 HA VAL 12 6.905 18.908 19.828 77 HB VAL 12 HB VAL 12 7.637 17.981 17.420 78 1HG1 VAL 12 HG11 VAL 12 6.189 19.233 15.982 79 2HG1 VAL 12 HG12 VAL 12 7.843 19.681 15.699 80 3HG1 VAL 12 HG13 VAL 12 6.802 20.771 16.598 81 1HG2 VAL 12 HG21 VAL 12 9.175 19.161 19.026 82 2HG2 VAL 12 HG22 VAL 12 8.489 20.715 18.544 83 3HG2 VAL 12 HG23 VAL 12 9.450 19.781 17.412 84 H LYS 13 HN LYS 13 4.635 19.544 17.176 85 HA LYS 13 HA LYS 13 4.285 22.336 17.739 86 1HB LYS 13 HB2 LYS 13 2.390 20.258 16.545 87 2HB LYS 13 HB1 LYS 13 2.142 21.995 16.427 88 1HG LYS 13 HG2 LYS 13 4.201 22.313 15.248 89 2HG LYS 13 HG1 LYS 13 4.718 20.667 15.514 90 1HD LYS 13 HD2 LYS 13 2.647 19.878 14.226 91 2HD LYS 13 HD1 LYS 13 2.410 21.533 13.712 92 1HE LYS 13 HE2 LYS 13 4.957 19.904 13.352 93 2HE LYS 13 HE1 LYS 13 3.791 20.218 12.067 94 1HZ LYS 13 HZ1 LYS 13 4.341 22.649 13.327 95 2HZ LYS 13 HZ2 LYS 13 4.770 22.232 11.744 96 3HZ LYS 13 HZ3 LYS 13 5.849 21.946 13.061 97 H HIS 14 HN HIS 14 3.625 19.860 19.720 98 HA HIS 14 HA HIS 14 1.581 21.341 21.308 99 1HB HIS 14 HB2 HIS 14 0.197 19.524 20.918 100 2HB HIS 14 HB1 HIS 14 1.455 18.705 20.053 101 HD1 HIS 14 HD1 HIS 14 3.247 17.730 21.952 102 HD2 HIS 14 HD2 HIS 14 -0.695 17.832 22.904 103 HE1 HIS 14 HE1 HIS 14 2.903 16.004 23.796 104 H LEU 15 HN LEU 15 4.754 20.964 21.387 105 HA LEU 15 HA LEU 15 5.257 19.524 23.799 106 1HB LEU 15 HB2 LEU 15 6.728 21.813 22.442 107 2HB LEU 15 HB1 LEU 15 7.320 21.168 23.947 108 HG LEU 15 HG LEU 15 6.691 19.428 21.600 109 1HD1 LEU 15 HD11 LEU 15 9.198 19.484 21.248 110 2HD1 LEU 15 HD12 LEU 15 9.313 20.739 22.482 111 3HD1 LEU 15 HD13 LEU 15 8.450 21.046 20.968 112 1HD2 LEU 15 HD21 LEU 15 8.250 17.850 22.736 113 2HD2 LEU 15 HD22 LEU 15 6.913 18.261 23.796 114 3HD2 LEU 15 HD23 LEU 15 8.470 19.015 24.044 115 H LYS 16 HN LYS 16 5.488 19.955 25.777 116 HA LYS 16 HA LYS 16 3.749 21.688 27.120 117 1HB LYS 16 HB2 LYS 16 4.774 19.506 27.894 118 2HB LYS 16 HB1 LYS 16 6.310 20.324 28.040 119 1HG LYS 16 HG2 LYS 16 5.235 21.860 29.745 120 2HG LYS 16 HG1 LYS 16 3.805 20.828 29.668 121 1HD LYS 16 HD2 LYS 16 5.661 18.866 29.916 122 2HD LYS 16 HD1 LYS 16 6.604 20.121 30.662 123 1HE LYS 16 HE2 LYS 16 3.816 19.279 31.554 124 2HE LYS 16 HE1 LYS 16 5.310 18.763 32.317 125 1HZ LYS 16 HZ1 LYS 16 5.449 21.527 31.973 126 2HZ LYS 16 HZ2 LYS 16 5.344 20.721 33.471 127 3HZ LYS 16 HZ3 LYS 16 3.936 21.226 32.674 128 H THR 17 HN THR 17 7.100 21.875 26.536 129 HA THR 17 HA THR 17 7.222 24.693 27.484 130 HB THR 17 HB THR 17 9.596 22.821 27.099 131 HG1 THR 17 HG1 THR 17 8.751 21.784 28.833 132 1HG2 THR 17 HG21 THR 17 8.981 25.023 29.122 133 2HG2 THR 17 HG22 THR 17 10.028 25.291 27.726 134 3HG2 THR 17 HG23 THR 17 10.491 24.154 28.977 135 H LYS 18 HN LYS 18 8.781 25.977 26.322 136 HA LYS 18 HA LYS 18 8.422 25.719 23.378 137 1HB LYS 18 HB2 LYS 18 9.326 28.118 24.998 138 2HB LYS 18 HB1 LYS 18 8.951 28.110 23.292 139 1HG LYS 18 HG2 LYS 18 6.919 27.355 25.442 140 2HG LYS 18 HG1 LYS 18 7.074 28.963 24.766 141 1HD LYS 18 HD2 LYS 18 6.522 28.149 22.517 142 2HD LYS 18 HD1 LYS 18 6.496 26.477 23.067 143 1HE LYS 18 HE2 LYS 18 4.611 26.981 24.579 144 2HE LYS 18 HE1 LYS 18 4.654 28.670 24.080 145 1HZ LYS 18 HZ1 LYS 18 3.357 26.510 22.748 146 2HZ LYS 18 HZ2 LYS 18 4.620 27.070 21.768 147 3HZ LYS 18 HZ3 LYS 18 3.405 28.141 22.284 148 HA PRO 19 HA PRO 19 12.792 24.546 23.313 149 1HB PRO 19 HB2 PRO 19 12.319 24.194 20.347 150 2HB PRO 19 HB1 PRO 19 12.900 23.019 21.532 151 1HG PRO 19 HG2 PRO 19 10.379 22.749 20.655 152 2HG PRO 19 HG1 PRO 19 10.721 22.549 22.381 153 1HD PRO 19 HD2 PRO 19 9.744 25.115 21.004 154 2HD PRO 19 HD1 PRO 19 9.006 24.196 22.353 155 H ALA 20 HN ALA 20 14.468 25.013 21.436 156 HA ALA 20 HA ALA 20 14.795 27.985 21.401 157 1HB ALA 20 HB1 ALA 20 16.816 25.743 20.951 158 2HB ALA 20 HB2 ALA 20 16.546 26.605 22.458 159 3HB ALA 20 HB3 ALA 20 17.209 27.446 21.067 160 H ASP 21 HN ASP 21 15.471 29.219 19.566 161 HA ASP 21 HA ASP 21 14.195 28.895 17.162 162 1HB ASP 21 HB2 ASP 21 16.841 30.216 17.850 163 2HB ASP 21 HB1 ASP 21 16.064 30.440 16.297 164 H GLU 22 HN GLU 22 17.553 27.718 17.708 165 HA GLU 22 HA GLU 22 17.850 26.665 15.102 166 1HB GLU 22 HB2 GLU 22 19.005 25.284 17.622 167 2HB GLU 22 HB1 GLU 22 19.693 25.215 16.026 168 1HG GLU 22 HG2 GLU 22 21.063 26.743 17.374 169 2HG GLU 22 HG1 GLU 22 20.132 27.737 16.250 170 H GLU 23 HN GLU 23 16.543 24.886 18.023 171 HA GLU 23 HA GLU 23 16.181 22.574 16.358 172 1HB GLU 23 HB2 GLU 23 15.143 23.558 19.059 173 2HB GLU 23 HB1 GLU 23 14.417 22.111 18.384 174 1HG GLU 23 HG2 GLU 23 17.441 22.410 18.805 175 2HG GLU 23 HG1 GLU 23 16.412 21.624 19.975 176 H MET 24 HN MET 24 14.074 25.353 17.211 177 HA MET 24 HA MET 24 11.720 24.554 15.884 178 1HB MET 24 HB2 MET 24 13.038 27.330 15.924 179 2HB MET 24 HB1 MET 24 11.413 27.056 15.333 180 1HG MET 24 HG2 MET 24 10.990 25.974 17.670 181 2HG MET 24 HG1 MET 24 12.451 26.782 18.150 182 1HE MET 24 HE1 MET 24 11.597 29.926 19.336 183 2HE MET 24 HE2 MET 24 12.255 30.140 17.706 184 3HE MET 24 HE3 MET 24 12.816 28.835 18.750 185 H LEU 25 HN LEU 25 14.516 26.220 14.491 186 HA LEU 25 HA LEU 25 13.847 26.181 11.788 187 1HB LEU 25 HB2 LEU 25 16.370 26.295 13.426 188 2HB LEU 25 HB1 LEU 25 16.457 26.381 11.705 189 HG LEU 25 HG LEU 25 14.720 28.332 13.326 190 1HD1 LEU 25 HD11 LEU 25 17.554 28.692 12.265 191 2HD1 LEU 25 HD12 LEU 25 17.127 28.528 13.961 192 3HD1 LEU 25 HD13 LEU 25 16.558 29.911 13.038 193 1HD2 LEU 25 HD21 LEU 25 14.290 28.179 10.864 194 2HD2 LEU 25 HD22 LEU 25 15.974 28.504 10.545 195 3HD2 LEU 25 HD23 LEU 25 14.958 29.722 11.304 196 H PHE 26 HN PHE 26 15.689 23.790 13.688 197 HA PHE 26 HA PHE 26 16.380 22.029 11.516 198 1HB PHE 26 HB2 PHE 26 17.403 21.938 13.836 199 2HB PHE 26 HB1 PHE 26 15.907 21.256 14.455 200 HD1 PHE 26 HD1 PHE 26 18.927 20.587 12.511 201 HD2 PHE 26 HD2 PHE 26 15.098 19.055 13.557 202 HE1 PHE 26 HE1 PHE 26 19.597 18.348 11.731 203 HE2 PHE 26 HE2 PHE 26 15.767 16.835 12.787 204 HZ PHE 26 HZ PHE 26 18.018 16.478 11.866 205 H ILE 27 HN ILE 27 13.713 22.120 13.775 206 HA ILE 27 HA ILE 27 12.236 19.863 12.774 207 HB ILE 27 HB ILE 27 11.484 22.444 14.261 208 1HG1 ILE 27 HG12 ILE 27 12.824 20.921 15.587 209 2HG1 ILE 27 HG11 ILE 27 11.207 21.028 16.256 210 1HG2 ILE 27 HG21 ILE 27 9.598 20.091 13.815 211 2HG2 ILE 27 HG22 ILE 27 9.442 21.646 13.014 212 3HG2 ILE 27 HG23 ILE 27 9.246 21.509 14.753 213 1HD1 ILE 27 HD1 ILE 27 12.015 18.693 16.236 214 2HD1 ILE 27 HD2 ILE 27 12.245 18.747 14.503 215 3HD1 ILE 27 HD3 ILE 27 10.618 18.843 15.189 216 H TYR 28 HN TYR 28 11.058 23.084 12.490 217 HA TYR 28 HA TYR 28 9.645 23.179 10.172 218 1HB TYR 28 HB2 TYR 28 10.685 25.335 11.178 219 2HB TYR 28 HB1 TYR 28 12.050 25.074 10.104 220 HD1 TYR 28 HD1 TYR 28 8.375 25.563 10.203 221 HD2 TYR 28 HD2 TYR 28 11.819 25.491 7.685 222 HE1 TYR 28 HE1 TYR 28 7.042 26.439 8.339 223 HE2 TYR 28 HE2 TYR 28 10.466 26.374 5.845 224 HH TYR 28 HH TYR 28 7.993 27.912 5.974 225 H SER 29 HN SER 29 13.281 23.208 9.612 226 HA SER 29 HA SER 29 13.145 22.760 6.877 227 1HB SER 29 HB2 SER 29 15.631 22.329 7.340 228 2HB SER 29 HB1 SER 29 15.067 23.711 8.245 229 HG SER 29 HG1 SER 29 14.875 22.473 10.050 230 H HIS 30 HN HIS 30 14.005 20.431 9.381 231 HA HIS 30 HA HIS 30 13.894 18.182 7.640 232 1HB HIS 30 HB2 HIS 30 13.774 18.539 10.679 233 2HB HIS 30 HB1 HIS 30 13.620 16.932 9.982 234 HD1 HIS 30 HD1 HIS 30 15.644 15.923 9.238 235 HD2 HIS 30 HD2 HIS 30 16.282 19.906 9.779 236 HE1 HIS 30 HE1 HIS 30 18.093 16.305 8.846 237 H TYR 31 HN TYR 31 11.370 19.743 9.329 238 HA TYR 31 HA TYR 31 9.377 17.656 9.033 239 1HB TYR 31 HB2 TYR 31 8.886 19.607 10.587 240 2HB TYR 31 HB1 TYR 31 8.934 20.703 9.228 241 HD1 TYR 31 HD1 TYR 31 7.051 17.709 10.561 242 HD2 TYR 31 HD2 TYR 31 7.090 20.984 7.872 243 HE1 TYR 31 HE1 TYR 31 4.682 17.248 9.951 244 HE2 TYR 31 HE2 TYR 31 4.751 20.533 7.269 245 HH TYR 31 HH TYR 31 3.248 18.815 7.216 246 H LYS 32 HN LYS 32 10.213 20.519 7.250 247 HA LYS 32 HA LYS 32 8.375 19.986 5.019 248 1HB LYS 32 HB2 LYS 32 10.953 21.638 5.132 249 2HB LYS 32 HB1 LYS 32 9.754 21.660 3.850 250 1HG LYS 32 HG2 LYS 32 9.212 22.590 6.677 251 2HG LYS 32 HG1 LYS 32 9.403 23.581 5.260 252 1HD LYS 32 HD2 LYS 32 7.450 21.698 4.403 253 2HD LYS 32 HD1 LYS 32 6.988 21.996 6.055 254 1HE LYS 32 HE2 LYS 32 7.576 24.154 4.091 255 2HE LYS 32 HE1 LYS 32 5.971 23.412 4.205 256 1HZ LYS 32 HZ1 LYS 32 7.025 24.058 6.765 257 2HZ LYS 32 HZ2 LYS 32 5.563 24.610 6.120 258 3HZ LYS 32 HZ3 LYS 32 7.022 25.479 5.851 259 H GLN 33 HN GLN 33 11.917 19.306 5.307 260 HA GLN 33 HA GLN 33 12.072 17.812 2.889 261 1HB GLN 33 HB2 GLN 33 13.521 17.285 5.503 262 2HB GLN 33 HB1 GLN 33 13.949 16.490 3.996 263 1HG GLN 33 HG2 GLN 33 13.959 19.483 4.452 264 2HG GLN 33 HG1 GLN 33 15.358 18.454 4.570 265 1HE2 GLN 33 HE21 GLN 33 14.584 16.756 2.020 266 2HE2 GLN 33 HE22 GLN 33 14.852 17.923 0.810 267 H ALA 34 HN ALA 34 11.232 16.603 6.124 268 HA ALA 34 HA ALA 34 10.939 13.877 5.436 269 1HB ALA 34 HB1 ALA 34 11.126 14.742 7.763 270 2HB ALA 34 HB2 ALA 34 9.631 13.827 7.589 271 3HB ALA 34 HB3 ALA 34 9.607 15.584 7.585 272 H THR 35 HN THR 35 8.437 16.399 5.624 273 HA THR 35 HA THR 35 6.427 14.546 4.563 274 HB THR 35 HB THR 35 4.834 16.517 4.609 275 HG1 THR 35 HG1 THR 35 7.203 17.873 5.402 276 1HG2 THR 35 HG21 THR 35 5.515 15.423 6.821 277 2HG2 THR 35 HG22 THR 35 5.026 17.091 6.938 278 3HG2 THR 35 HG23 THR 35 6.732 16.678 7.019 279 H VAL 36 HN VAL 36 8.314 17.020 3.168 280 HA VAL 36 HA VAL 36 7.020 16.496 0.509 281 HB VAL 36 HB VAL 36 8.431 19.017 1.609 282 1HG1 VAL 36 HG11 VAL 36 7.961 20.042 -0.637 283 2HG1 VAL 36 HG12 VAL 36 7.323 18.508 -1.199 284 3HG1 VAL 36 HG13 VAL 36 9.029 18.675 -0.829 285 1HG2 VAL 36 HG21 VAL 36 5.596 18.610 0.620 286 2HG2 VAL 36 HG22 VAL 36 6.290 20.149 1.109 287 3HG2 VAL 36 HG23 VAL 36 6.076 18.867 2.292 288 H GLY 37 HN GLY 37 10.058 18.055 1.254 289 1HA GLY 37 HA2 GLY 37 12.132 16.389 1.254 290 2HA GLY 37 HA1 GLY 37 11.600 16.183 -0.429 291 H ASP 38 HN ASP 38 12.641 17.692 -1.853 292 HA ASP 38 HA ASP 38 14.086 19.807 -0.869 293 1HB ASP 38 HB2 ASP 38 12.777 19.947 -3.575 294 2HB ASP 38 HB1 ASP 38 14.507 20.149 -3.086 295 H ILE 39 HN ILE 39 13.927 22.009 -1.286 296 HA ILE 39 HA ILE 39 11.412 23.303 -0.253 297 HB ILE 39 HB ILE 39 13.650 23.645 0.730 298 1HG1 ILE 39 HG12 ILE 39 12.243 26.042 -0.480 299 2HG1 ILE 39 HG11 ILE 39 11.635 25.102 0.829 300 1HG2 ILE 39 HG21 ILE 39 14.235 25.064 -1.941 301 2HG2 ILE 39 HG22 ILE 39 15.088 23.645 -1.345 302 3HG2 ILE 39 HG23 ILE 39 15.232 25.182 -0.541 303 1HD1 ILE 39 HD1 ILE 39 13.709 25.517 2.143 304 2HD1 ILE 39 HD2 ILE 39 12.871 27.000 1.815 305 3HD1 ILE 39 HD3 ILE 39 14.298 26.576 0.900 306 H ASN 40 HN ASN 40 9.889 23.898 -1.732 307 HA ASN 40 HA ASN 40 10.816 24.761 -4.418 308 1HB ASN 40 HB2 ASN 40 8.684 23.664 -5.185 309 2HB ASN 40 HB1 ASN 40 9.729 22.514 -4.359 310 1HD2 ASN 40 HD21 ASN 40 6.538 23.276 -4.521 311 2HD2 ASN 40 HD22 ASN 40 6.123 22.895 -2.915 312 H THR 41 HN THR 41 10.168 26.068 -1.786 313 HA THR 41 HA THR 41 7.980 27.916 -2.560 314 HB THR 41 HB THR 41 8.152 28.666 -0.147 315 HG1 THR 41 HG1 THR 41 9.749 26.923 0.807 316 1HG2 THR 41 HG21 THR 41 7.589 26.507 0.983 317 2HG2 THR 41 HG22 THR 41 8.355 25.587 -0.307 318 3HG2 THR 41 HG23 THR 41 6.854 26.433 -0.612 319 H GLU 42 HN GLU 42 8.164 30.068 -2.274 320 HA GLU 42 HA GLU 42 10.414 31.243 -3.513 321 1HB GLU 42 HB2 GLU 42 8.382 32.570 -1.748 322 2HB GLU 42 HB1 GLU 42 9.524 33.365 -2.806 323 1HG GLU 42 HG2 GLU 42 8.459 32.314 -4.825 324 2HG GLU 42 HG1 GLU 42 7.270 31.505 -3.822 325 H ARG 43 HN ARG 43 12.385 31.215 -2.634 326 HA ARG 43 HA ARG 43 12.884 31.396 0.180 327 1HB ARG 43 HB2 ARG 43 14.644 30.628 -1.406 328 2HB ARG 43 HB1 ARG 43 14.550 32.142 -2.196 329 1HG ARG 43 HG2 ARG 43 15.252 33.226 0.102 330 2HG ARG 43 HG1 ARG 43 15.254 31.605 0.754 331 1HD ARG 43 HD2 ARG 43 17.075 31.044 -0.891 332 2HD ARG 43 HD1 ARG 43 17.051 32.745 -1.346 333 HE ARG 43 HE ARG 43 17.445 31.844 1.562 334 1HH1 ARG 43 HH21 ARG 43 17.560 34.646 0.077 335 2HH1 ARG 43 HH22 ARG 43 19.159 35.051 0.635 336 1HH2 ARG 43 HH11 ARG 43 19.508 31.750 1.695 337 2HH2 ARG 43 HH12 ARG 43 20.411 33.241 1.588 338 HA PRO 44 HA PRO 44 11.647 35.449 1.352 339 1HB PRO 44 HB2 PRO 44 14.673 35.574 1.399 340 2HB PRO 44 HB1 PRO 44 13.551 36.457 2.456 341 1HG PRO 44 HG2 PRO 44 14.491 33.934 3.099 342 2HG PRO 44 HG1 PRO 44 12.807 34.384 3.528 343 1HD PRO 44 HD2 PRO 44 13.625 32.352 1.759 344 2HD PRO 44 HD1 PRO 44 11.965 32.827 2.166 345 H GLY 45 HN GLY 45 14.379 35.994 -0.660 346 1HA GLY 45 HA2 GLY 45 14.766 37.759 -2.191 347 2HA GLY 45 HA1 GLY 45 13.583 36.794 -3.045 348 H MET 46 HN MET 46 11.225 37.473 -2.504 349 HA MET 46 HA MET 46 11.218 40.456 -2.734 350 1HB MET 46 HB2 MET 46 9.057 38.425 -3.540 351 2HB MET 46 HB1 MET 46 9.092 40.134 -3.963 352 1HG MET 46 HG2 MET 46 11.444 39.606 -4.969 353 2HG MET 46 HG1 MET 46 10.997 37.937 -4.816 354 1HE MET 46 HE1 MET 46 11.329 40.777 -7.114 355 2HE MET 46 HE2 MET 46 11.076 39.752 -8.526 356 3HE MET 46 HE3 MET 46 12.164 39.213 -7.264 357 H LEU 47 HN LEU 47 8.310 38.726 -1.718 358 HA LEU 47 HA LEU 47 8.253 40.365 0.697 359 1HB LEU 47 HB2 LEU 47 6.564 39.927 -1.445 360 2HB LEU 47 HB1 LEU 47 5.833 38.904 -0.241 361 HG LEU 47 HG LEU 47 6.541 41.831 0.302 362 1HD1 LEU 47 HD11 LEU 47 4.148 42.284 -0.223 363 2HD1 LEU 47 HD12 LEU 47 3.913 40.612 -0.706 364 3HD1 LEU 47 HD13 LEU 47 4.962 41.658 -1.645 365 1HD2 LEU 47 HD21 LEU 47 6.092 40.315 2.229 366 2HD2 LEU 47 HD22 LEU 47 4.560 39.853 1.517 367 3HD2 LEU 47 HD23 LEU 47 4.807 41.507 2.060 368 H ASP 48 HN ASP 48 9.739 38.686 1.958 369 HA ASP 48 HA ASP 48 7.943 36.499 3.073 370 1HB ASP 48 HB2 ASP 48 9.988 35.518 2.303 371 2HB ASP 48 HB1 ASP 48 11.027 36.584 3.247 372 H PHE 49 HN PHE 49 8.021 35.853 5.340 373 HA PHE 49 HA PHE 49 8.723 37.671 7.438 374 1HB PHE 49 HB2 PHE 49 6.007 36.599 7.947 375 2HB PHE 49 HB1 PHE 49 6.557 38.240 8.049 376 HD1 PHE 49 HD1 PHE 49 6.524 39.699 5.959 377 HD2 PHE 49 HD2 PHE 49 4.600 35.906 6.173 378 HE1 PHE 49 HE1 PHE 49 5.109 40.299 4.059 379 HE2 PHE 49 HE2 PHE 49 3.191 36.513 4.244 380 HZ PHE 49 HZ PHE 49 3.451 38.700 3.188 381 H LYS 50 HN LYS 50 7.361 34.735 6.114 382 HA LYS 50 HA LYS 50 7.076 32.815 7.994 383 1HB LYS 50 HB2 LYS 50 9.036 32.350 5.666 384 2HB LYS 50 HB1 LYS 50 8.109 31.114 6.489 385 1HG LYS 50 HG2 LYS 50 7.073 33.254 4.577 386 2HG LYS 50 HG1 LYS 50 7.205 31.551 4.296 387 1HD LYS 50 HD2 LYS 50 5.470 31.084 5.926 388 2HD LYS 50 HD1 LYS 50 5.466 32.762 6.481 389 1HE LYS 50 HE2 LYS 50 4.822 33.540 4.248 390 2HE LYS 50 HE1 LYS 50 4.844 31.894 3.627 391 1HZ LYS 50 HZ1 LYS 50 2.724 33.179 4.926 392 2HZ LYS 50 HZ2 LYS 50 3.357 32.040 6.032 393 3HZ LYS 50 HZ3 LYS 50 2.820 31.531 4.501 394 H GLY 51 HN GLY 51 10.081 33.732 6.711 395 1HA GLY 51 HA2 GLY 51 11.771 34.344 8.694 396 2HA GLY 51 HA1 GLY 51 11.499 32.674 9.138 397 H LYS 52 HN LYS 52 12.777 34.771 6.784 398 HA LYS 52 HA LYS 52 13.871 33.348 4.839 399 1HB LYS 52 HB2 LYS 52 15.453 35.267 6.706 400 2HB LYS 52 HB1 LYS 52 15.955 34.906 5.072 401 1HG LYS 52 HG2 LYS 52 14.755 36.766 4.467 402 2HG LYS 52 HG1 LYS 52 13.349 35.749 4.646 403 1HD LYS 52 HD2 LYS 52 13.289 36.544 7.137 404 2HD LYS 52 HD1 LYS 52 14.289 37.850 6.528 405 1HE LYS 52 HE2 LYS 52 12.575 38.236 4.687 406 2HE LYS 52 HE1 LYS 52 11.544 37.046 5.447 407 1HZ LYS 52 HZ1 LYS 52 10.836 38.519 6.877 408 2HZ LYS 52 HZ2 LYS 52 11.712 39.723 6.094 409 3HZ LYS 52 HZ3 LYS 52 12.416 38.894 7.414 410 H ALA 53 HN ALA 53 14.857 33.158 8.055 411 HA ALA 53 HA ALA 53 17.063 31.379 7.944 412 1HB ALA 53 HB1 ALA 53 16.427 32.869 9.827 413 2HB ALA 53 HB2 ALA 53 16.449 31.226 10.434 414 3HB ALA 53 HB3 ALA 53 14.913 32.008 10.013 415 H LYS 54 HN LYS 54 13.689 30.614 8.969 416 HA LYS 54 HA LYS 54 13.951 27.797 8.837 417 1HB LYS 54 HB2 LYS 54 11.623 29.677 8.601 418 2HB LYS 54 HB1 LYS 54 11.307 28.069 8.062 419 1HG LYS 54 HG2 LYS 54 10.819 27.582 10.248 420 2HG LYS 54 HG1 LYS 54 12.516 27.529 10.512 421 1HD LYS 54 HD2 LYS 54 11.884 29.172 12.107 422 2HD LYS 54 HD1 LYS 54 12.235 30.204 10.730 423 1HE LYS 54 HE2 LYS 54 9.747 29.838 10.024 424 2HE LYS 54 HE1 LYS 54 9.511 29.156 11.628 425 1HZ LYS 54 HZ1 LYS 54 10.918 31.564 11.872 426 2HZ LYS 54 HZ2 LYS 54 9.379 31.234 12.465 427 3HZ LYS 54 HZ3 LYS 54 9.558 31.828 10.872 428 H TRP 55 HN TRP 55 13.262 30.087 6.150 429 HA TRP 55 HA TRP 55 12.665 28.079 4.271 430 1HB TRP 55 HB2 TRP 55 12.347 30.615 3.910 431 2HB TRP 55 HB1 TRP 55 14.059 30.717 3.560 432 HD1 TRP 55 HD1 TRP 55 10.728 29.443 1.947 433 HE1 TRP 55 HE1 TRP 55 11.382 28.531 -0.351 434 HE3 TRP 55 HE3 TRP 55 15.803 29.683 2.122 435 HZ2 TRP 55 HZ2 TRP 55 13.519 28.090 -1.959 436 HZ3 TRP 55 HZ3 TRP 55 17.141 29.000 0.195 437 HH2 TRP 55 HH2 TRP 55 16.050 28.189 -1.862 438 H ASP 56 HN ASP 56 15.514 29.911 4.749 439 HA ASP 56 HA ASP 56 17.246 28.418 3.025 440 1HB ASP 56 HB2 ASP 56 17.661 30.283 5.375 441 2HB ASP 56 HB1 ASP 56 19.055 29.420 4.742 442 H ALA 57 HN ALA 57 16.593 27.934 6.441 443 HA ALA 57 HA ALA 57 18.351 25.852 6.981 444 1HB ALA 57 HB1 ALA 57 17.070 27.204 8.644 445 2HB ALA 57 HB2 ALA 57 16.791 25.482 8.912 446 3HB ALA 57 HB3 ALA 57 15.569 26.451 8.103 447 H TRP 58 HN TRP 58 15.158 25.904 5.475 448 HA TRP 58 HA TRP 58 15.066 22.927 5.363 449 1HB TRP 58 HB2 TRP 58 12.970 24.234 5.424 450 2HB TRP 58 HB1 TRP 58 13.414 25.094 3.996 451 HD1 TRP 58 HD1 TRP 58 14.374 21.316 3.698 452 HE1 TRP 58 HE1 TRP 58 12.561 20.360 2.168 453 HE3 TRP 58 HE3 TRP 58 11.079 25.104 3.543 454 HZ2 TRP 58 HZ2 TRP 58 10.073 21.002 0.984 455 HZ3 TRP 58 HZ3 TRP 58 8.974 24.954 2.237 456 HH2 TRP 58 HH2 TRP 58 8.497 22.911 0.924 457 H ASN 59 HN ASN 59 15.672 25.607 3.077 458 HA ASN 59 HA ASN 59 16.270 24.162 0.776 459 1HB ASN 59 HB2 ASN 59 16.219 26.571 0.609 460 2HB ASN 59 HB1 ASN 59 17.301 26.744 1.967 461 1HD2 ASN 59 HD21 ASN 59 19.109 27.668 1.272 462 2HD2 ASN 59 HD22 ASN 59 19.939 27.197 -0.154 463 H GLU 60 HN GLU 60 18.379 24.879 3.367 464 HA GLU 60 HA GLU 60 20.848 23.970 2.511 465 1HB GLU 60 HB2 GLU 60 20.509 25.100 4.659 466 2HB GLU 60 HB1 GLU 60 19.449 23.821 5.198 467 1HG GLU 60 HG2 GLU 60 21.997 22.591 4.470 468 2HG GLU 60 HG1 GLU 60 22.349 23.992 5.445 469 H LEU 61 HN LEU 61 18.068 22.255 3.588 470 HA LEU 61 HA LEU 61 19.231 19.571 3.383 471 1HB LEU 61 HB2 LEU 61 16.439 20.295 4.159 472 2HB LEU 61 HB1 LEU 61 17.333 18.808 4.499 473 HG LEU 61 HG LEU 61 18.002 21.523 5.723 474 1HD1 LEU 61 HD11 LEU 61 17.062 20.491 7.711 475 2HD1 LEU 61 HD12 LEU 61 16.734 18.994 6.855 476 3HD1 LEU 61 HD13 LEU 61 15.846 20.452 6.440 477 1HD2 LEU 61 HD21 LEU 61 19.973 19.981 5.456 478 2HD2 LEU 61 HD22 LEU 61 19.086 18.705 6.292 479 3HD2 LEU 61 HD23 LEU 61 19.505 20.201 7.118 480 H LYS 62 HN LYS 62 17.845 21.640 1.168 481 HA LYS 62 HA LYS 62 15.846 20.660 -0.097 482 1HB LYS 62 HB2 LYS 62 17.313 22.486 -0.988 483 2HB LYS 62 HB1 LYS 62 18.510 21.343 -1.488 484 1HG LYS 62 HG2 LYS 62 16.404 20.263 -2.800 485 2HG LYS 62 HG1 LYS 62 15.661 21.816 -2.509 486 1HD LYS 62 HD2 LYS 62 17.385 22.891 -3.853 487 2HD LYS 62 HD1 LYS 62 18.199 21.356 -4.116 488 1HE LYS 62 HE2 LYS 62 15.315 22.030 -4.968 489 2HE LYS 62 HE1 LYS 62 16.678 21.860 -6.057 490 1HZ LYS 62 HZ1 LYS 62 14.997 19.798 -4.999 491 2HZ LYS 62 HZ2 LYS 62 16.538 19.519 -4.452 492 3HZ LYS 62 HZ3 LYS 62 16.226 19.622 -6.117 493 H GLY 63 HN GLY 63 18.680 18.528 -0.453 494 1HA GLY 63 HA2 GLY 63 16.839 16.752 -1.958 495 2HA GLY 63 HA1 GLY 63 18.597 16.752 -2.115 496 H THR 64 HN THR 64 17.090 17.130 0.837 497 HA THR 64 HA THR 64 18.332 14.770 2.033 498 HB THR 64 HB THR 64 16.331 16.679 3.362 499 HG1 THR 64 HG1 THR 64 18.175 17.768 3.035 500 1HG2 THR 64 HG21 THR 64 17.388 15.707 5.396 501 2HG2 THR 64 HG22 THR 64 18.476 14.765 4.396 502 3HG2 THR 64 HG23 THR 64 16.764 14.357 4.445 503 H SER 65 HN SER 65 17.514 13.129 1.151 504 HA SER 65 HA SER 65 15.073 12.226 0.295 505 1HB SER 65 HB2 SER 65 17.179 10.695 1.913 506 2HB SER 65 HB1 SER 65 15.825 9.869 1.136 507 HG SER 65 HG1 SER 65 17.066 11.776 -0.484 508 H LYS 66 HN LYS 66 13.018 12.114 1.112 509 HA LYS 66 HA LYS 66 12.061 13.062 3.399 510 1HB LYS 66 HB2 LYS 66 10.181 11.477 3.138 511 2HB LYS 66 HB1 LYS 66 10.699 12.213 1.623 512 1HG LYS 66 HG2 LYS 66 12.189 10.021 1.331 513 2HG LYS 66 HG1 LYS 66 11.175 9.348 2.577 514 1HD LYS 66 HD2 LYS 66 10.025 10.564 0.033 515 2HD LYS 66 HD1 LYS 66 10.505 8.893 0.130 516 1HE LYS 66 HE2 LYS 66 8.118 8.995 0.503 517 2HE LYS 66 HE1 LYS 66 8.897 8.526 2.001 518 1HZ LYS 66 HZ1 LYS 66 8.028 10.315 2.982 519 2HZ LYS 66 HZ2 LYS 66 7.239 10.760 1.556 520 3HZ LYS 66 HZ3 LYS 66 8.808 11.343 1.865 521 H GLU 67 HN GLU 67 13.264 9.736 3.213 522 HA GLU 67 HA GLU 67 12.625 9.026 5.835 523 1HB GLU 67 HB2 GLU 67 14.510 8.148 3.591 524 2HB GLU 67 HB1 GLU 67 14.816 7.399 5.089 525 1HG GLU 67 HG2 GLU 67 11.925 7.312 4.055 526 2HG GLU 67 HG1 GLU 67 13.114 6.304 3.254 527 H ASP 68 HN ASP 68 15.761 10.512 4.722 528 HA ASP 68 HA ASP 68 16.991 10.309 7.224 529 1HB ASP 68 HB2 ASP 68 17.132 12.152 4.803 530 2HB ASP 68 HB1 ASP 68 18.330 12.233 6.067 531 H ALA 69 HN ALA 69 15.153 12.780 5.820 532 HA ALA 69 HA ALA 69 15.121 14.623 8.026 533 1HB ALA 69 HB1 ALA 69 13.029 14.177 5.859 534 2HB ALA 69 HB2 ALA 69 14.432 15.213 5.753 535 3HB ALA 69 HB3 ALA 69 13.126 15.635 6.855 536 H MET 70 HN MET 70 12.543 12.247 7.062 537 HA MET 70 HA MET 70 10.819 12.463 9.098 538 1HB MET 70 HB2 MET 70 11.921 10.310 7.337 539 2HB MET 70 HB1 MET 70 10.830 9.801 8.558 540 1HG MET 70 HG2 MET 70 9.270 11.599 7.613 541 2HG MET 70 HG1 MET 70 10.365 11.827 6.302 542 1HE MET 70 HE1 MET 70 7.657 8.257 6.994 543 2HE MET 70 HE2 MET 70 7.678 9.746 7.920 544 3HE MET 70 HE3 MET 70 8.982 8.557 8.085 545 H LYS 71 HN LYS 71 13.514 10.281 9.012 546 HA LYS 71 HA LYS 71 13.307 9.327 11.644 547 1HB LYS 71 HB2 LYS 71 15.640 9.427 9.715 548 2HB LYS 71 HB1 LYS 71 15.628 8.422 11.159 549 1HG LYS 71 HG2 LYS 71 13.667 7.225 10.423 550 2HG LYS 71 HG1 LYS 71 13.390 8.305 9.072 551 1HD LYS 71 HD2 LYS 71 15.897 7.589 8.431 552 2HD LYS 71 HD1 LYS 71 15.491 6.166 9.359 553 1HE LYS 71 HE2 LYS 71 13.864 7.346 7.086 554 2HE LYS 71 HE1 LYS 71 14.927 5.956 6.937 555 1HZ LYS 71 HZ1 LYS 71 12.224 6.006 7.716 556 2HZ LYS 71 HZ2 LYS 71 13.123 5.508 9.086 557 3HZ LYS 71 HZ3 LYS 71 13.219 4.720 7.523 558 H ALA 72 HN ALA 72 15.815 11.757 10.404 559 HA ALA 72 HA ALA 72 16.920 12.277 12.859 560 1HB ALA 72 HB1 ALA 72 17.567 14.432 11.705 561 2HB ALA 72 HB2 ALA 72 16.370 14.086 10.463 562 3HB ALA 72 HB3 ALA 72 17.755 13.034 10.668 563 H TYR 73 HN TYR 73 14.058 13.602 11.393 564 HA TYR 73 HA TYR 73 13.416 15.611 13.308 565 1HB TYR 73 HB2 TYR 73 12.452 15.274 10.995 566 2HB TYR 73 HB1 TYR 73 11.570 13.887 11.568 567 HD1 TYR 73 HD1 TYR 73 11.827 17.492 11.522 568 HD2 TYR 73 HD2 TYR 73 9.626 14.217 13.158 569 HE1 TYR 73 HE1 TYR 73 10.070 18.997 12.139 570 HE2 TYR 73 HE2 TYR 73 7.843 15.776 13.798 571 HH TYR 73 HH TYR 73 7.911 19.076 12.793 572 H ILE 74 HN ILE 74 12.238 12.326 12.923 573 HA ILE 74 HA ILE 74 10.672 11.996 15.244 574 HB ILE 74 HB ILE 74 12.629 9.968 14.012 575 1HG1 ILE 74 HG12 ILE 74 10.418 10.739 12.729 576 2HG1 ILE 74 HG11 ILE 74 10.631 9.004 12.895 577 1HG2 ILE 74 HG21 ILE 74 12.324 9.394 16.406 578 2HG2 ILE 74 HG22 ILE 74 11.410 8.254 15.445 579 3HG2 ILE 74 HG23 ILE 74 10.587 9.608 16.225 580 1HD1 ILE 74 HD1 ILE 74 9.146 9.007 14.809 581 2HD1 ILE 74 HD2 ILE 74 8.481 9.682 13.344 582 3HD1 ILE 74 HD3 ILE 74 8.943 10.752 14.659 583 H ASP 75 HN ASP 75 14.179 11.449 15.008 584 HA ASP 75 HA ASP 75 14.709 10.997 17.717 585 1HB ASP 75 HB2 ASP 75 16.264 12.187 15.374 586 2HB ASP 75 HB1 ASP 75 16.999 11.848 16.907 587 H LYS 76 HN LYS 76 15.301 13.907 16.007 588 HA LYS 76 HA LYS 76 15.806 15.782 17.970 589 1HB LYS 76 HB2 LYS 76 14.756 15.930 15.292 590 2HB LYS 76 HB1 LYS 76 13.773 17.023 16.226 591 1HG LYS 76 HG2 LYS 76 15.668 18.298 15.473 592 2HG LYS 76 HG1 LYS 76 15.899 17.994 17.166 593 1HD LYS 76 HD2 LYS 76 17.464 16.107 16.694 594 2HD LYS 76 HD1 LYS 76 17.072 16.160 14.996 595 1HE LYS 76 HE2 LYS 76 19.194 17.271 15.350 596 2HE LYS 76 HE1 LYS 76 18.012 18.488 14.892 597 1HZ LYS 76 HZ1 LYS 76 18.159 19.478 16.859 598 2HZ LYS 76 HZ2 LYS 76 19.508 18.505 17.251 599 3HZ LYS 76 HZ3 LYS 76 17.903 18.121 17.707 600 H VAL 77 HN VAL 77 12.508 14.896 17.019 601 HA VAL 77 HA VAL 77 11.232 16.391 19.085 602 HB VAL 77 HB VAL 77 10.392 13.960 17.447 603 1HG1 VAL 77 HG11 VAL 77 8.080 14.740 18.023 604 2HG1 VAL 77 HG12 VAL 77 8.737 16.022 19.013 605 3HG1 VAL 77 HG13 VAL 77 8.973 14.336 19.466 606 1HG2 VAL 77 HG21 VAL 77 9.956 16.988 17.024 607 2HG2 VAL 77 HG22 VAL 77 9.282 15.758 15.995 608 3HG2 VAL 77 HG23 VAL 77 11.019 15.984 16.050 609 H GLU 78 HN GLU 78 12.090 12.914 18.867 610 HA GLU 78 HA GLU 78 11.249 11.963 21.348 611 1HB GLU 78 HB2 GLU 78 13.347 11.283 19.334 612 2HB GLU 78 HB1 GLU 78 13.830 10.793 20.924 613 1HG GLU 78 HG2 GLU 78 11.054 10.050 19.815 614 2HG GLU 78 HG1 GLU 78 12.453 9.044 19.457 615 H GLU 79 HN GLU 79 14.413 13.685 20.581 616 HA GLU 79 HA GLU 79 15.364 13.835 23.222 617 1HB GLU 79 HB2 GLU 79 15.706 15.741 20.823 618 2HB GLU 79 HB1 GLU 79 16.467 16.082 22.355 619 1HG GLU 79 HG2 GLU 79 18.007 15.013 20.726 620 2HG GLU 79 HG1 GLU 79 17.790 14.005 22.154 621 H LEU 80 HN LEU 80 13.723 16.326 21.317 622 HA LEU 80 HA LEU 80 13.221 18.145 23.309 623 1HB LEU 80 HB2 LEU 80 11.385 17.312 21.051 624 2HB LEU 80 HB1 LEU 80 11.083 18.739 22.019 625 HG LEU 80 HG LEU 80 13.488 18.257 20.232 626 1HD1 LEU 80 HD11 LEU 80 12.520 20.185 19.055 627 2HD1 LEU 80 HD12 LEU 80 11.218 20.280 20.237 628 3HD1 LEU 80 HD13 LEU 80 11.330 18.899 19.150 629 1HD2 LEU 80 HD21 LEU 80 14.150 20.543 20.863 630 2HD2 LEU 80 HD22 LEU 80 14.138 19.554 22.291 631 3HD2 LEU 80 HD23 LEU 80 12.803 20.675 21.968 632 H LYS 81 HN LYS 81 10.834 15.637 22.689 633 HA LYS 81 HA LYS 81 9.257 16.530 24.857 634 1HB LYS 81 HB2 LYS 81 8.575 15.206 22.987 635 2HB LYS 81 HB1 LYS 81 9.554 13.824 23.460 636 1HG LYS 81 HG2 LYS 81 8.141 13.591 25.519 637 2HG LYS 81 HG1 LYS 81 7.255 15.041 25.081 638 1HD LYS 81 HD2 LYS 81 6.588 13.962 22.909 639 2HD LYS 81 HD1 LYS 81 7.413 12.491 23.396 640 1HE LYS 81 HE2 LYS 81 5.887 12.386 25.414 641 2HE LYS 81 HE1 LYS 81 5.090 13.828 24.770 642 1HZ LYS 81 HZ1 LYS 81 3.910 12.503 23.313 643 2HZ LYS 81 HZ2 LYS 81 4.728 11.115 23.844 644 3HZ LYS 81 HZ3 LYS 81 5.338 12.133 22.634 645 H LYS 82 HN LYS 82 11.847 14.096 24.702 646 HA LYS 82 HA LYS 82 11.601 13.189 27.414 647 1HB LYS 82 HB2 LYS 82 14.036 13.399 25.589 648 2HB LYS 82 HB1 LYS 82 14.012 12.477 27.078 649 1HG LYS 82 HG2 LYS 82 11.769 11.857 25.221 650 2HG LYS 82 HG1 LYS 82 13.364 11.587 24.567 651 1HD LYS 82 HD2 LYS 82 13.940 10.103 26.511 652 2HD LYS 82 HD1 LYS 82 12.385 10.453 27.252 653 1HE LYS 82 HE2 LYS 82 12.391 8.250 26.033 654 2HE LYS 82 HE1 LYS 82 11.198 9.414 25.452 655 1HZ LYS 82 HZ1 LYS 82 13.283 8.262 23.874 656 2HZ LYS 82 HZ2 LYS 82 13.538 9.940 24.011 657 3HZ LYS 82 HZ3 LYS 82 12.097 9.290 23.498 658 H LYS 83 HN LYS 83 13.192 15.853 26.039 659 HA LYS 83 HA LYS 83 14.387 16.718 28.584 660 1HB LYS 83 HB2 LYS 83 15.269 16.630 26.099 661 2HB LYS 83 HB1 LYS 83 14.569 18.178 25.969 662 1HG LYS 83 HG2 LYS 83 16.885 18.580 26.687 663 2HG LYS 83 HG1 LYS 83 15.876 18.879 28.096 664 1HD LYS 83 HD2 LYS 83 16.313 16.381 28.777 665 2HD LYS 83 HD1 LYS 83 17.447 16.328 27.449 666 1HE LYS 83 HE2 LYS 83 18.805 18.094 28.467 667 2HE LYS 83 HE1 LYS 83 17.631 18.250 29.774 668 1HZ LYS 83 HZ1 LYS 83 18.660 16.548 30.824 669 2HZ LYS 83 HZ2 LYS 83 19.715 16.322 29.520 670 3HZ LYS 83 HZ3 LYS 83 18.220 15.535 29.533 671 H TYR 84 HN TYR 84 12.226 18.153 26.438 672 HA TYR 84 HA TYR 84 11.686 20.541 28.108 673 1HB TYR 84 HB2 TYR 84 10.890 19.695 25.296 674 2HB TYR 84 HB1 TYR 84 10.065 21.020 26.055 675 HD1 TYR 84 HD1 TYR 84 11.700 22.946 27.055 676 HD2 TYR 84 HD2 TYR 84 12.770 20.134 24.073 677 HE1 TYR 84 HE1 TYR 84 13.492 24.437 26.278 678 HE2 TYR 84 HE2 TYR 84 14.571 21.630 23.303 679 HH TYR 84 HH TYR 84 15.796 23.501 23.847 680 H GLY 85 HN GLY 85 10.198 17.525 27.177 681 1HA GLY 85 HA2 GLY 85 8.534 16.416 28.511 682 2HA GLY 85 HA1 GLY 85 8.106 17.940 29.231 683 H ILE 86 HN ILE 86 6.213 16.476 29.040 684 HA ILE 86 HA ILE 86 4.439 17.394 26.872 685 HB ILE 86 HB ILE 86 5.012 15.042 26.414 686 1HG1 ILE 86 HG12 ILE 86 2.273 15.130 27.799 687 2HG1 ILE 86 HG11 ILE 86 2.560 15.839 26.235 688 1HG2 ILE 86 HG21 ILE 86 5.809 14.405 28.691 689 2HG2 ILE 86 HG22 ILE 86 4.574 13.262 28.188 690 3HG2 ILE 86 HG23 ILE 86 4.177 14.547 29.320 691 1HD1 ILE 86 HD1 ILE 86 1.549 13.609 26.041 692 2HD1 ILE 86 HD2 ILE 86 2.867 12.886 26.952 693 3HD1 ILE 86 HD3 ILE 86 3.152 13.577 25.356 Start of MODEL 12 1 1H SER 1 HT1 SER 1 -1.836 7.602 16.424 2 2H SER 1 HT2 SER 1 -2.304 6.054 16.988 3 3H SER 1 HT3 SER 1 -3.464 7.189 16.423 4 HA SER 1 HA SER 1 -2.069 5.275 14.891 5 1HB SER 1 HB2 SER 1 -3.874 6.431 13.194 6 2HB SER 1 HB1 SER 1 -4.470 5.556 14.613 7 HG SER 1 HG1 SER 1 -4.959 8.045 14.255 8 H GLN 2 HN GLN 2 -1.783 6.128 12.435 9 HA GLN 2 HA GLN 2 -0.415 7.209 10.912 10 1HB GLN 2 HB2 GLN 2 -1.513 9.250 11.249 11 2HB GLN 2 HB1 GLN 2 -1.005 9.459 12.901 12 1HG GLN 2 HG2 GLN 2 0.219 11.076 11.500 13 2HG GLN 2 HG1 GLN 2 1.386 9.888 12.018 14 1HE2 GLN 2 HE21 GLN 2 1.343 11.646 9.476 15 2HE2 GLN 2 HE22 GLN 2 1.513 10.500 8.273 16 H ALA 3 HN ALA 3 1.682 7.384 10.358 17 HA ALA 3 HA ALA 3 3.705 6.135 11.718 18 1HB ALA 3 HB1 ALA 3 3.745 6.750 9.280 19 2HB ALA 3 HB2 ALA 3 5.213 7.322 10.044 20 3HB ALA 3 HB3 ALA 3 3.897 8.438 9.712 21 H GLU 4 HN GLU 4 5.576 6.779 12.821 22 HA GLU 4 HA GLU 4 5.049 8.687 14.890 23 1HB GLU 4 HB2 GLU 4 7.682 7.415 14.201 24 2HB GLU 4 HB1 GLU 4 7.189 8.026 15.754 25 1HG GLU 4 HG2 GLU 4 5.978 5.571 14.374 26 2HG GLU 4 HG1 GLU 4 6.763 5.646 15.918 27 H PHE 5 HN PHE 5 6.051 9.227 11.820 28 HA PHE 5 HA PHE 5 7.867 11.501 12.282 29 1HB PHE 5 HB2 PHE 5 7.916 10.363 10.080 30 2HB PHE 5 HB1 PHE 5 6.171 10.647 9.998 31 HD1 PHE 5 HD1 PHE 5 9.336 12.563 10.445 32 HD2 PHE 5 HD2 PHE 5 5.393 12.551 8.903 33 HE1 PHE 5 HE1 PHE 5 9.700 14.818 9.469 34 HE2 PHE 5 HE2 PHE 5 5.695 14.734 7.984 35 HZ PHE 5 HZ PHE 5 7.869 15.910 8.228 36 H ASP 6 HN ASP 6 4.511 11.306 11.104 37 HA ASP 6 HA ASP 6 4.124 14.102 11.632 38 1HB ASP 6 HB2 ASP 6 2.583 11.643 10.840 39 2HB ASP 6 HB1 ASP 6 1.660 13.093 11.248 40 H LYS 7 HN LYS 7 3.840 11.066 13.483 41 HA LYS 7 HA LYS 7 2.457 12.201 15.690 42 1HB LYS 7 HB2 LYS 7 3.512 9.737 15.374 43 2HB LYS 7 HB1 LYS 7 4.897 10.462 16.082 44 1HG LYS 7 HG2 LYS 7 4.061 10.920 18.146 45 2HG LYS 7 HG1 LYS 7 2.429 11.152 17.601 46 1HD LYS 7 HD2 LYS 7 3.586 8.352 17.394 47 2HD LYS 7 HD1 LYS 7 3.130 8.967 18.969 48 1HE LYS 7 HE2 LYS 7 1.294 7.709 17.765 49 2HE LYS 7 HE1 LYS 7 0.880 9.335 18.311 50 1HZ LYS 7 HZ1 LYS 7 1.977 9.615 15.806 51 2HZ LYS 7 HZ2 LYS 7 0.403 9.898 16.155 52 3HZ LYS 7 HZ3 LYS 7 0.888 8.379 15.559 53 H ALA 8 HN ALA 8 6.026 12.146 14.898 54 HA ALA 8 HA ALA 8 6.760 13.751 17.123 55 1HB ALA 8 HB1 ALA 8 7.944 13.657 14.295 56 2HB ALA 8 HB2 ALA 8 8.307 12.556 15.612 57 3HB ALA 8 HB3 ALA 8 8.798 14.238 15.719 58 H ALA 9 HN ALA 9 5.791 14.659 14.016 59 HA ALA 9 HA ALA 9 5.942 17.525 14.297 60 1HB ALA 9 HB1 ALA 9 5.574 16.414 12.106 61 2HB ALA 9 HB2 ALA 9 4.367 17.659 12.341 62 3HB ALA 9 HB3 ALA 9 3.937 15.976 12.588 63 H GLU 10 HN GLU 10 3.043 15.477 14.985 64 HA GLU 10 HA GLU 10 1.376 17.666 15.686 65 1HB GLU 10 HB2 GLU 10 0.822 15.441 14.606 66 2HB GLU 10 HB1 GLU 10 1.238 14.614 16.092 67 1HG GLU 10 HG2 GLU 10 -0.661 15.436 17.237 68 2HG GLU 10 HG1 GLU 10 -0.849 16.831 16.186 69 H GLU 11 HN GLU 11 3.468 15.312 17.485 70 HA GLU 11 HA GLU 11 2.723 16.280 20.042 71 1HB GLU 11 HB2 GLU 11 4.838 14.559 18.753 72 2HB GLU 11 HB1 GLU 11 5.168 15.124 20.353 73 1HG GLU 11 HG2 GLU 11 4.085 12.912 20.381 74 2HG GLU 11 HG1 GLU 11 3.073 14.105 21.173 75 H VAL 12 HN VAL 12 5.476 17.169 17.890 76 HA VAL 12 HA VAL 12 6.690 19.028 19.685 77 HB VAL 12 HB VAL 12 7.200 18.146 17.128 78 1HG1 VAL 12 HG11 VAL 12 7.351 20.074 15.599 79 2HG1 VAL 12 HG12 VAL 12 6.607 21.130 16.777 80 3HG1 VAL 12 HG13 VAL 12 5.691 19.820 16.028 81 1HG2 VAL 12 HG21 VAL 12 8.920 18.921 18.729 82 2HG2 VAL 12 HG22 VAL 12 8.374 20.583 18.518 83 3HG2 VAL 12 HG23 VAL 12 9.161 19.737 17.198 84 H LYS 13 HN LYS 13 4.136 19.463 17.242 85 HA LYS 13 HA LYS 13 3.613 22.185 17.694 86 1HB LYS 13 HB2 LYS 13 1.748 19.875 17.144 87 2HB LYS 13 HB1 LYS 13 1.127 21.499 17.286 88 1HG LYS 13 HG2 LYS 13 2.814 22.065 15.394 89 2HG LYS 13 HG1 LYS 13 2.972 20.339 15.188 90 1HD LYS 13 HD2 LYS 13 0.562 19.976 14.993 91 2HD LYS 13 HD1 LYS 13 0.206 21.665 15.274 92 1HE LYS 13 HE2 LYS 13 1.601 20.494 12.849 93 2HE LYS 13 HE1 LYS 13 -0.009 21.215 12.906 94 1HZ LYS 13 HZ1 LYS 13 0.907 23.262 12.696 95 2HZ LYS 13 HZ2 LYS 13 2.444 22.547 12.605 96 3HZ LYS 13 HZ3 LYS 13 1.790 22.989 14.117 97 H HIS 14 HN HIS 14 3.506 19.898 20.084 98 HA HIS 14 HA HIS 14 1.769 21.568 21.810 99 1HB HIS 14 HB2 HIS 14 1.806 18.535 21.499 100 2HB HIS 14 HB1 HIS 14 0.999 19.348 22.842 101 HD1 HIS 14 HD1 HIS 14 0.678 18.765 19.200 102 HD2 HIS 14 HD2 HIS 14 -1.231 20.947 22.092 103 HE1 HIS 14 HE1 HIS 14 -1.484 19.558 18.209 104 H LEU 15 HN LEU 15 4.826 21.268 21.459 105 HA LEU 15 HA LEU 15 5.690 19.934 23.836 106 1HB LEU 15 HB2 LEU 15 6.863 22.185 22.161 107 2HB LEU 15 HB1 LEU 15 7.686 21.665 23.609 108 HG LEU 15 HG LEU 15 6.870 19.795 21.399 109 1HD1 LEU 15 HD11 LEU 15 9.338 19.843 20.885 110 2HD1 LEU 15 HD12 LEU 15 9.542 21.089 22.103 111 3HD1 LEU 15 HD13 LEU 15 8.594 21.411 20.654 112 1HD2 LEU 15 HD21 LEU 15 7.178 18.664 23.601 113 2HD2 LEU 15 HD22 LEU 15 8.742 19.425 23.792 114 3HD2 LEU 15 HD23 LEU 15 8.477 18.231 22.521 115 H LYS 16 HN LYS 16 6.051 20.516 25.815 116 HA LYS 16 HA LYS 16 4.312 22.408 27.016 117 1HB LYS 16 HB2 LYS 16 5.603 20.241 27.957 118 2HB LYS 16 HB1 LYS 16 6.879 21.375 28.337 119 1HG LYS 16 HG2 LYS 16 5.508 21.191 30.295 120 2HG LYS 16 HG1 LYS 16 5.153 22.761 29.596 121 1HD LYS 16 HD2 LYS 16 3.099 21.610 28.392 122 2HD LYS 16 HD1 LYS 16 3.559 20.157 29.203 123 1HE LYS 16 HE2 LYS 16 1.738 21.170 30.366 124 2HE LYS 16 HE1 LYS 16 3.172 21.241 31.390 125 1HZ LYS 16 HZ1 LYS 16 3.173 23.455 29.678 126 2HZ LYS 16 HZ2 LYS 16 3.047 23.496 31.366 127 3HZ LYS 16 HZ3 LYS 16 1.642 23.427 30.409 128 H THR 17 HN THR 17 7.384 22.693 25.773 129 HA THR 17 HA THR 17 7.578 25.576 26.537 130 HB THR 17 HB THR 17 10.013 23.748 26.174 131 HG1 THR 17 HG1 THR 17 9.475 24.498 28.715 132 1HG2 THR 17 HG21 THR 17 9.628 26.349 27.759 133 2HG2 THR 17 HG22 THR 17 10.470 26.233 26.221 134 3HG2 THR 17 HG23 THR 17 11.108 25.413 27.625 135 H LYS 18 HN LYS 18 9.033 26.748 25.042 136 HA LYS 18 HA LYS 18 8.441 25.931 22.227 137 1HB LYS 18 HB2 LYS 18 8.908 28.269 21.648 138 2HB LYS 18 HB1 LYS 18 7.822 28.216 23.018 139 1HG LYS 18 HG2 LYS 18 10.004 28.521 24.495 140 2HG LYS 18 HG1 LYS 18 10.821 28.838 22.992 141 1HD LYS 18 HD2 LYS 18 10.201 30.962 23.940 142 2HD LYS 18 HD1 LYS 18 9.275 30.694 22.474 143 1HE LYS 18 HE2 LYS 18 7.306 29.975 23.841 144 2HE LYS 18 HE1 LYS 18 8.259 30.179 25.302 145 1HZ LYS 18 HZ1 LYS 18 7.770 32.373 25.251 146 2HZ LYS 18 HZ2 LYS 18 6.856 32.170 23.844 147 3HZ LYS 18 HZ3 LYS 18 8.500 32.527 23.743 148 HA PRO 19 HA PRO 19 12.664 24.400 22.567 149 1HB PRO 19 HB2 PRO 19 12.970 23.553 19.930 150 2HB PRO 19 HB1 PRO 19 12.077 22.639 21.149 151 1HG PRO 19 HG2 PRO 19 10.979 24.658 19.116 152 2HG PRO 19 HG1 PRO 19 10.428 23.010 19.379 153 1HD PRO 19 HD2 PRO 19 9.147 25.056 20.542 154 2HD PRO 19 HD1 PRO 19 9.412 23.609 21.538 155 H ALA 20 HN ALA 20 14.838 24.953 21.478 156 HA ALA 20 HA ALA 20 14.873 27.858 21.193 157 1HB ALA 20 HB1 ALA 20 17.356 27.475 21.039 158 2HB ALA 20 HB2 ALA 20 17.059 25.743 20.921 159 3HB ALA 20 HB3 ALA 20 16.630 26.605 22.384 160 H ASP 21 HN ASP 21 15.830 29.036 19.404 161 HA ASP 21 HA ASP 21 14.648 28.891 16.990 162 1HB ASP 21 HB2 ASP 21 17.515 29.698 17.627 163 2HB ASP 21 HB1 ASP 21 16.628 30.219 16.201 164 H GLU 22 HN GLU 22 17.942 27.606 17.268 165 HA GLU 22 HA GLU 22 17.826 26.267 14.763 166 1HB GLU 22 HB2 GLU 22 19.518 25.832 17.291 167 2HB GLU 22 HB1 GLU 22 19.700 24.679 15.989 168 1HG GLU 22 HG2 GLU 22 20.374 26.553 14.430 169 2HG GLU 22 HG1 GLU 22 20.152 27.717 15.723 170 H GLU 23 HN GLU 23 16.554 25.043 17.905 171 HA GLU 23 HA GLU 23 16.202 22.372 16.945 172 1HB GLU 23 HB2 GLU 23 14.895 24.018 19.175 173 2HB GLU 23 HB1 GLU 23 14.624 22.298 19.013 174 1HG GLU 23 HG2 GLU 23 17.249 22.040 19.168 175 2HG GLU 23 HG1 GLU 23 17.290 23.726 19.573 176 H MET 24 HN MET 24 14.045 25.114 17.243 177 HA MET 24 HA MET 24 11.788 23.826 15.889 178 1HB MET 24 HB2 MET 24 10.832 26.174 15.558 179 2HB MET 24 HB1 MET 24 11.370 25.888 17.196 180 1HG MET 24 HG2 MET 24 13.392 27.078 16.821 181 2HG MET 24 HG1 MET 24 13.031 27.357 15.137 182 1HE MET 24 HE1 MET 24 11.398 27.940 18.738 183 2HE MET 24 HE2 MET 24 11.714 29.670 18.751 184 3HE MET 24 HE3 MET 24 13.045 28.555 18.561 185 H LEU 25 HN LEU 25 14.428 25.916 14.617 186 HA LEU 25 HA LEU 25 13.641 26.008 11.951 187 1HB LEU 25 HB2 LEU 25 16.158 26.230 13.611 188 2HB LEU 25 HB1 LEU 25 16.391 26.129 11.903 189 HG LEU 25 HG LEU 25 14.435 28.129 13.148 190 1HD1 LEU 25 HD11 LEU 25 16.195 29.825 12.816 191 2HD1 LEU 25 HD12 LEU 25 17.333 28.603 12.271 192 3HD1 LEU 25 HD13 LEU 25 16.768 28.601 13.924 193 1HD2 LEU 25 HD21 LEU 25 14.758 29.205 10.964 194 2HD2 LEU 25 HD22 LEU 25 14.215 27.548 10.726 195 3HD2 LEU 25 HD23 LEU 25 15.903 27.972 10.497 196 H PHE 26 HN PHE 26 15.627 23.687 13.693 197 HA PHE 26 HA PHE 26 16.216 21.925 11.518 198 1HB PHE 26 HB2 PHE 26 17.218 21.949 13.798 199 2HB PHE 26 HB1 PHE 26 15.744 21.264 14.461 200 HD1 PHE 26 HD1 PHE 26 14.930 19.011 13.088 201 HD2 PHE 26 HD2 PHE 26 18.931 20.483 13.347 202 HE1 PHE 26 HE1 PHE 26 15.793 16.780 12.596 203 HE2 PHE 26 HE2 PHE 26 19.781 18.242 12.861 204 HZ PHE 26 HZ PHE 26 18.222 16.391 12.491 205 H ILE 27 HN ILE 27 13.594 21.778 13.981 206 HA ILE 27 HA ILE 27 12.122 19.641 12.780 207 HB ILE 27 HB ILE 27 11.160 22.160 14.193 208 1HG1 ILE 27 HG12 ILE 27 12.730 20.823 15.561 209 2HG1 ILE 27 HG11 ILE 27 11.139 20.811 16.279 210 1HG2 ILE 27 HG21 ILE 27 9.632 19.522 13.905 211 2HG2 ILE 27 HG22 ILE 27 9.265 21.004 13.019 212 3HG2 ILE 27 HG23 ILE 27 9.101 20.942 14.762 213 1HD1 ILE 27 HD1 ILE 27 12.213 18.563 16.306 214 2HD1 ILE 27 HD2 ILE 27 12.423 18.599 14.570 215 3HD1 ILE 27 HD3 ILE 27 10.808 18.493 15.260 216 H TYR 28 HN TYR 28 11.002 22.881 12.486 217 HA TYR 28 HA TYR 28 9.454 22.919 10.202 218 1HB TYR 28 HB2 TYR 28 10.244 25.085 11.236 219 2HB TYR 28 HB1 TYR 28 11.755 24.931 10.363 220 HD1 TYR 28 HD1 TYR 28 8.217 25.763 10.110 221 HD2 TYR 28 HD2 TYR 28 11.746 25.076 7.811 222 HE1 TYR 28 HE1 TYR 28 7.159 26.794 8.139 223 HE2 TYR 28 HE2 TYR 28 10.676 26.100 5.879 224 HH TYR 28 HH TYR 28 8.575 27.983 5.713 225 H SER 29 HN SER 29 13.145 23.190 9.641 226 HA SER 29 HA SER 29 13.050 22.933 6.961 227 1HB SER 29 HB2 SER 29 15.538 22.445 7.424 228 2HB SER 29 HB1 SER 29 14.950 23.778 8.394 229 HG SER 29 HG1 SER 29 14.637 22.319 10.134 230 H HIS 30 HN HIS 30 13.792 20.454 9.300 231 HA HIS 30 HA HIS 30 13.921 18.291 7.453 232 1HB HIS 30 HB2 HIS 30 13.465 18.546 10.469 233 2HB HIS 30 HB1 HIS 30 13.454 16.955 9.709 234 HD1 HIS 30 HD1 HIS 30 15.605 16.098 8.987 235 HD2 HIS 30 HD2 HIS 30 16.033 19.953 10.180 236 HE1 HIS 30 HE1 HIS 30 18.064 16.547 9.023 237 H TYR 31 HN TYR 31 11.059 19.533 9.218 238 HA TYR 31 HA TYR 31 9.308 17.422 8.437 239 1HB TYR 31 HB2 TYR 31 8.760 19.362 10.096 240 2HB TYR 31 HB1 TYR 31 8.511 20.380 8.716 241 HD1 TYR 31 HD1 TYR 31 7.372 17.128 10.246 242 HD2 TYR 31 HD2 TYR 31 6.414 20.281 7.549 243 HE1 TYR 31 HE1 TYR 31 5.107 16.216 9.979 244 HE2 TYR 31 HE2 TYR 31 4.135 19.336 7.305 245 HH TYR 31 HH TYR 31 3.210 16.305 8.860 246 H LYS 32 HN LYS 32 10.169 20.480 6.978 247 HA LYS 32 HA LYS 32 8.437 20.088 4.653 248 1HB LYS 32 HB2 LYS 32 10.972 21.765 5.001 249 2HB LYS 32 HB1 LYS 32 9.798 21.905 3.701 250 1HG LYS 32 HG2 LYS 32 9.167 22.532 6.605 251 2HG LYS 32 HG1 LYS 32 9.420 23.670 5.330 252 1HD LYS 32 HD2 LYS 32 7.441 21.792 4.319 253 2HD LYS 32 HD1 LYS 32 6.934 22.223 5.924 254 1HE LYS 32 HE2 LYS 32 7.774 24.236 3.859 255 2HE LYS 32 HE1 LYS 32 6.121 23.618 3.916 256 1HZ LYS 32 HZ1 LYS 32 7.000 24.270 6.488 257 2HZ LYS 32 HZ2 LYS 32 5.701 25.011 5.656 258 3HZ LYS 32 HZ3 LYS 32 7.272 25.652 5.566 259 H GLN 33 HN GLN 33 11.948 19.475 5.082 260 HA GLN 33 HA GLN 33 12.172 18.125 2.496 261 1HB GLN 33 HB2 GLN 33 13.981 19.294 3.997 262 2HB GLN 33 HB1 GLN 33 14.025 17.750 4.818 263 1HG GLN 33 HG2 GLN 33 15.799 17.735 3.066 264 2HG GLN 33 HG1 GLN 33 14.522 16.685 2.510 265 1HE2 GLN 33 HE21 GLN 33 14.833 16.871 0.409 266 2HE2 GLN 33 HE22 GLN 33 14.684 18.260 -0.557 267 H ALA 34 HN ALA 34 10.658 16.983 5.291 268 HA ALA 34 HA ALA 34 11.356 14.150 4.879 269 1HB ALA 34 HB1 ALA 34 10.097 13.883 7.007 270 2HB ALA 34 HB2 ALA 34 9.703 15.595 6.960 271 3HB ALA 34 HB3 ALA 34 11.363 15.087 7.171 272 H THR 35 HN THR 35 8.753 16.439 4.706 273 HA THR 35 HA THR 35 6.801 14.431 3.714 274 HB THR 35 HB THR 35 5.095 16.264 3.943 275 HG1 THR 35 HG1 THR 35 7.123 17.776 5.104 276 1HG2 THR 35 HG21 THR 35 5.315 16.637 6.357 277 2HG2 THR 35 HG22 THR 35 7.027 16.211 6.321 278 3HG2 THR 35 HG23 THR 35 5.810 14.983 6.009 279 H VAL 36 HN VAL 36 7.869 17.514 2.769 280 HA VAL 36 HA VAL 36 6.687 17.234 0.053 281 HB VAL 36 HB VAL 36 8.312 19.581 1.156 282 1HG1 VAL 36 HG11 VAL 36 7.056 20.870 -0.574 283 2HG1 VAL 36 HG12 VAL 36 6.255 19.393 -1.098 284 3HG1 VAL 36 HG13 VAL 36 7.993 19.594 -1.312 285 1HG2 VAL 36 HG21 VAL 36 5.291 19.218 1.304 286 2HG2 VAL 36 HG22 VAL 36 6.160 20.683 1.719 287 3HG2 VAL 36 HG23 VAL 36 6.398 19.220 2.666 288 H GLY 37 HN GLY 37 9.785 17.792 1.462 289 1HA GLY 37 HA2 GLY 37 11.830 16.576 0.682 290 2HA GLY 37 HA1 GLY 37 11.203 16.714 -0.971 291 H ASP 38 HN ASP 38 12.579 18.109 -2.020 292 HA ASP 38 HA ASP 38 14.122 20.106 -0.962 293 1HB ASP 38 HB2 ASP 38 12.805 19.573 -3.651 294 2HB ASP 38 HB1 ASP 38 13.892 20.907 -3.434 295 H ILE 39 HN ILE 39 13.985 22.466 -1.361 296 HA ILE 39 HA ILE 39 11.442 23.488 -0.239 297 HB ILE 39 HB ILE 39 13.662 23.956 0.660 298 1HG1 ILE 39 HG12 ILE 39 12.191 26.332 -0.434 299 2HG1 ILE 39 HG11 ILE 39 11.546 25.265 0.758 300 1HG2 ILE 39 HG21 ILE 39 15.093 24.080 -1.362 301 2HG2 ILE 39 HG22 ILE 39 15.150 25.612 -0.515 302 3HG2 ILE 39 HG23 ILE 39 14.180 25.458 -1.958 303 1HD1 ILE 39 HD1 ILE 39 14.207 26.827 0.981 304 2HD1 ILE 39 HD2 ILE 39 13.663 25.653 2.142 305 3HD1 ILE 39 HD3 ILE 39 12.788 27.134 1.960 306 H ASN 40 HN ASN 40 9.790 23.736 -1.730 307 HA ASN 40 HA ASN 40 10.523 24.686 -4.428 308 1HB ASN 40 HB2 ASN 40 8.562 23.339 -5.147 309 2HB ASN 40 HB1 ASN 40 9.592 22.269 -4.195 310 1HD2 ASN 40 HD21 ASN 40 6.437 22.573 -4.553 311 2HD2 ASN 40 HD22 ASN 40 5.949 22.484 -2.929 312 H THR 41 HN THR 41 9.863 25.654 -1.657 313 HA THR 41 HA THR 41 7.536 27.402 -2.156 314 HB THR 41 HB THR 41 7.850 27.811 0.432 315 HG1 THR 41 HG1 THR 41 10.106 27.062 0.322 316 1HG2 THR 41 HG21 THR 41 7.101 25.522 1.065 317 2HG2 THR 41 HG22 THR 41 7.715 24.877 -0.445 318 3HG2 THR 41 HG23 THR 41 6.323 25.937 -0.455 319 H GLU 42 HN GLU 42 7.810 29.535 -1.745 320 HA GLU 42 HA GLU 42 10.286 30.549 -2.903 321 1HB GLU 42 HB2 GLU 42 7.920 32.093 -1.921 322 2HB GLU 42 HB1 GLU 42 9.155 32.672 -3.026 323 1HG GLU 42 HG2 GLU 42 7.145 30.419 -3.673 324 2HG GLU 42 HG1 GLU 42 7.172 32.000 -4.395 325 H ARG 43 HN ARG 43 11.981 31.406 -2.063 326 HA ARG 43 HA ARG 43 12.441 31.664 0.657 327 1HB ARG 43 HB2 ARG 43 14.041 31.457 -1.079 328 2HB ARG 43 HB1 ARG 43 13.722 33.082 -1.698 329 1HG ARG 43 HG2 ARG 43 14.476 34.018 0.471 330 2HG ARG 43 HG1 ARG 43 14.574 32.400 1.154 331 1HD ARG 43 HD2 ARG 43 16.220 31.875 -0.737 332 2HD ARG 43 HD1 ARG 43 16.353 33.620 -0.932 333 HE ARG 43 HE ARG 43 16.813 32.198 1.728 334 1HH1 ARG 43 HH21 ARG 43 16.705 35.146 0.678 335 2HH1 ARG 43 HH22 ARG 43 18.322 35.635 1.104 336 1HH2 ARG 43 HH11 ARG 43 18.909 32.223 1.794 337 2HH2 ARG 43 HH12 ARG 43 19.755 33.747 1.808 338 HA PRO 44 HA PRO 44 9.747 34.987 1.887 339 1HB PRO 44 HB2 PRO 44 11.827 36.177 3.559 340 2HB PRO 44 HB1 PRO 44 10.372 35.315 4.032 341 1HG PRO 44 HG2 PRO 44 13.097 34.238 3.633 342 2HG PRO 44 HG1 PRO 44 11.758 33.598 4.627 343 1HD PRO 44 HD2 PRO 44 12.581 32.388 2.400 344 2HD PRO 44 HD1 PRO 44 10.861 32.342 2.764 345 H GLY 45 HN GLY 45 12.922 36.387 1.148 346 1HA GLY 45 HA2 GLY 45 13.087 38.009 -0.637 347 2HA GLY 45 HA1 GLY 45 11.407 38.474 -0.333 348 H MET 46 HN MET 46 12.737 40.626 -0.239 349 HA MET 46 HA MET 46 14.454 41.509 1.643 350 1HB MET 46 HB2 MET 46 11.861 42.750 0.675 351 2HB MET 46 HB1 MET 46 13.049 43.659 1.587 352 1HG MET 46 HG2 MET 46 13.254 43.931 -0.889 353 2HG MET 46 HG1 MET 46 14.712 43.363 -0.135 354 1HE MET 46 HE1 MET 46 11.471 42.323 -1.617 355 2HE MET 46 HE2 MET 46 11.779 40.857 -2.516 356 3HE MET 46 HE3 MET 46 12.171 42.429 -3.236 357 H LEU 47 HN LEU 47 11.173 40.620 2.416 358 HA LEU 47 HA LEU 47 11.373 41.447 5.222 359 1HB LEU 47 HB2 LEU 47 9.058 40.513 3.489 360 2HB LEU 47 HB1 LEU 47 8.834 40.977 5.135 361 HG LEU 47 HG LEU 47 8.081 42.781 3.803 362 1HD1 LEU 47 HD11 LEU 47 10.810 43.498 4.952 363 2HD1 LEU 47 HD12 LEU 47 9.311 43.409 5.861 364 3HD1 LEU 47 HD13 LEU 47 9.510 44.628 4.617 365 1HD2 LEU 47 HD21 LEU 47 9.365 42.316 1.728 366 2HD2 LEU 47 HD22 LEU 47 10.812 42.947 2.514 367 3HD2 LEU 47 HD23 LEU 47 9.458 43.997 2.215 368 H ASP 48 HN ASP 48 9.802 40.192 6.404 369 HA ASP 48 HA ASP 48 9.008 38.306 7.701 370 1HB ASP 48 HB2 ASP 48 9.225 37.049 5.440 371 2HB ASP 48 HB1 ASP 48 10.822 36.544 5.922 372 H PHE 49 HN PHE 49 12.249 37.805 6.763 373 HA PHE 49 HA PHE 49 14.334 37.693 7.949 374 1HB PHE 49 HB2 PHE 49 12.942 38.824 10.439 375 2HB PHE 49 HB1 PHE 49 14.551 39.174 9.856 376 HD1 PHE 49 HD1 PHE 49 14.521 40.335 7.353 377 HD2 PHE 49 HD2 PHE 49 11.335 40.438 10.174 378 HE1 PHE 49 HE1 PHE 49 13.610 42.339 6.265 379 HE2 PHE 49 HE2 PHE 49 10.428 42.436 9.094 380 HZ PHE 49 HZ PHE 49 11.567 43.394 7.123 381 H LYS 50 HN LYS 50 12.063 37.173 10.599 382 HA LYS 50 HA LYS 50 13.335 34.870 11.666 383 1HB LYS 50 HB2 LYS 50 11.143 34.367 12.763 384 2HB LYS 50 HB1 LYS 50 11.615 36.046 12.905 385 1HG LYS 50 HG2 LYS 50 10.069 36.715 11.126 386 2HG LYS 50 HG1 LYS 50 9.694 35.044 10.747 387 1HD LYS 50 HD2 LYS 50 8.700 34.684 12.921 388 2HD LYS 50 HD1 LYS 50 9.267 36.247 13.508 389 1HE LYS 50 HE2 LYS 50 7.818 37.427 11.970 390 2HE LYS 50 HE1 LYS 50 7.322 35.914 11.209 391 1HZ LYS 50 HZ1 LYS 50 5.784 35.672 12.844 392 2HZ LYS 50 HZ2 LYS 50 6.318 37.072 13.627 393 3HZ LYS 50 HZ3 LYS 50 7.047 35.585 13.973 394 H GLY 51 HN GLY 51 11.011 34.984 9.066 395 1HA GLY 51 HA2 GLY 51 10.587 32.083 8.866 396 2HA GLY 51 HA1 GLY 51 10.079 33.277 7.678 397 H LYS 52 HN LYS 52 12.385 34.508 7.081 398 HA LYS 52 HA LYS 52 13.608 32.995 5.074 399 1HB LYS 52 HB2 LYS 52 15.013 34.890 4.880 400 2HB LYS 52 HB1 LYS 52 13.926 35.563 6.041 401 1HG LYS 52 HG2 LYS 52 16.067 36.037 6.934 402 2HG LYS 52 HG1 LYS 52 15.604 34.641 7.867 403 1HD LYS 52 HD2 LYS 52 16.773 33.243 5.968 404 2HD LYS 52 HD1 LYS 52 17.412 34.769 5.471 405 1HE LYS 52 HE2 LYS 52 18.629 35.044 7.462 406 2HE LYS 52 HE1 LYS 52 17.724 33.795 8.319 407 1HZ LYS 52 HZ1 LYS 52 19.984 33.425 6.711 408 2HZ LYS 52 HZ2 LYS 52 18.683 32.747 5.832 409 3HZ LYS 52 HZ3 LYS 52 19.037 32.227 7.388 410 H ALA 53 HN ALA 53 14.556 33.111 8.386 411 HA ALA 53 HA ALA 53 16.822 31.359 8.192 412 1HB ALA 53 HB1 ALA 53 14.791 31.692 10.463 413 2HB ALA 53 HB2 ALA 53 16.212 32.686 10.249 414 3HB ALA 53 HB3 ALA 53 16.393 30.993 10.658 415 H LYS 54 HN LYS 54 13.442 30.610 8.905 416 HA LYS 54 HA LYS 54 13.682 27.740 8.864 417 1HB LYS 54 HB2 LYS 54 11.331 29.576 8.279 418 2HB LYS 54 HB1 LYS 54 11.146 27.853 8.201 419 1HG LYS 54 HG2 LYS 54 10.383 28.478 10.349 420 2HG LYS 54 HG1 LYS 54 11.953 27.734 10.608 421 1HD LYS 54 HD2 LYS 54 13.007 30.034 10.647 422 2HD LYS 54 HD1 LYS 54 11.435 30.716 10.321 423 1HE LYS 54 HE2 LYS 54 10.619 29.978 12.458 424 2HE LYS 54 HE1 LYS 54 12.113 29.086 12.786 425 1HZ LYS 54 HZ1 LYS 54 11.602 31.850 13.178 426 2HZ LYS 54 HZ2 LYS 54 12.749 31.705 11.958 427 3HZ LYS 54 HZ3 LYS 54 13.032 31.009 13.512 428 H TRP 55 HN TRP 55 13.084 30.005 6.138 429 HA TRP 55 HA TRP 55 12.618 27.996 4.244 430 1HB TRP 55 HB2 TRP 55 12.117 30.464 3.957 431 2HB TRP 55 HB1 TRP 55 13.807 30.762 3.726 432 HD1 TRP 55 HD1 TRP 55 10.749 29.234 1.777 433 HE1 TRP 55 HE1 TRP 55 11.677 28.654 -0.543 434 HE3 TRP 55 HE3 TRP 55 15.712 30.072 2.322 435 HZ2 TRP 55 HZ2 TRP 55 13.883 28.614 -2.024 436 HZ3 TRP 55 HZ3 TRP 55 17.246 29.711 0.452 437 HH2 TRP 55 HH2 TRP 55 16.381 29.005 -1.765 438 H ASP 56 HN ASP 56 15.387 29.984 4.795 439 HA ASP 56 HA ASP 56 17.184 28.530 3.111 440 1HB ASP 56 HB2 ASP 56 17.665 30.166 5.618 441 2HB ASP 56 HB1 ASP 56 18.978 29.472 4.710 442 H ALA 57 HN ALA 57 16.558 28.063 6.572 443 HA ALA 57 HA ALA 57 18.303 25.977 7.075 444 1HB ALA 57 HB1 ALA 57 16.725 25.456 8.953 445 2HB ALA 57 HB2 ALA 57 15.507 26.478 8.213 446 3HB ALA 57 HB3 ALA 57 17.013 27.185 8.806 447 H TRP 58 HN TRP 58 15.109 25.985 5.564 448 HA TRP 58 HA TRP 58 15.043 23.006 5.432 449 1HB TRP 58 HB2 TRP 58 12.938 24.277 5.407 450 2HB TRP 58 HB1 TRP 58 13.437 25.166 4.020 451 HD1 TRP 58 HD1 TRP 58 14.440 21.427 3.554 452 HE1 TRP 58 HE1 TRP 58 12.696 20.512 1.950 453 HE3 TRP 58 HE3 TRP 58 11.049 25.138 3.540 454 HZ2 TRP 58 HZ2 TRP 58 10.208 21.121 0.789 455 HZ3 TRP 58 HZ3 TRP 58 8.985 24.979 2.199 456 HH2 TRP 58 HH2 TRP 58 8.572 22.989 0.790 457 H ASN 59 HN ASN 59 15.661 25.706 3.151 458 HA ASN 59 HA ASN 59 16.270 24.339 0.851 459 1HB ASN 59 HB2 ASN 59 16.183 26.839 1.411 460 2HB ASN 59 HB1 ASN 59 17.731 26.638 2.173 461 1HD2 ASN 59 HD21 ASN 59 18.711 28.103 1.080 462 2HD2 ASN 59 HD22 ASN 59 19.117 27.943 -0.567 463 H GLU 60 HN GLU 60 18.370 24.841 3.600 464 HA GLU 60 HA GLU 60 20.792 23.695 2.897 465 1HB GLU 60 HB2 GLU 60 19.309 23.668 5.522 466 2HB GLU 60 HB1 GLU 60 20.852 22.868 5.423 467 1HG GLU 60 HG2 GLU 60 21.934 25.043 4.805 468 2HG GLU 60 HG1 GLU 60 20.370 25.841 4.897 469 H LEU 61 HN LEU 61 17.885 22.077 3.774 470 HA LEU 61 HA LEU 61 19.051 19.397 3.863 471 1HB LEU 61 HB2 LEU 61 16.143 20.203 3.965 472 2HB LEU 61 HB1 LEU 61 16.847 18.662 4.464 473 HG LEU 61 HG LEU 61 17.382 21.331 5.803 474 1HD1 LEU 61 HD11 LEU 61 15.817 18.859 6.654 475 2HD1 LEU 61 HD12 LEU 61 15.146 20.410 6.183 476 3HD1 LEU 61 HD13 LEU 61 16.109 20.280 7.649 477 1HD2 LEU 61 HD21 LEU 61 19.351 19.805 6.000 478 2HD2 LEU 61 HD22 LEU 61 18.306 18.522 6.593 479 3HD2 LEU 61 HD23 LEU 61 18.536 19.989 7.533 480 H LYS 62 HN LYS 62 17.536 21.291 1.295 481 HA LYS 62 HA LYS 62 16.263 19.521 -0.312 482 1HB LYS 62 HB2 LYS 62 16.588 21.855 -0.830 483 2HB LYS 62 HB1 LYS 62 18.316 21.660 -0.918 484 1HG LYS 62 HG2 LYS 62 17.043 19.702 -2.681 485 2HG LYS 62 HG1 LYS 62 16.339 21.238 -3.039 486 1HD LYS 62 HD2 LYS 62 19.326 20.492 -2.907 487 2HD LYS 62 HD1 LYS 62 18.405 20.630 -4.394 488 1HE LYS 62 HE2 LYS 62 18.988 22.907 -2.441 489 2HE LYS 62 HE1 LYS 62 19.737 22.657 -4.001 490 1HZ LYS 62 HZ1 LYS 62 17.214 23.862 -3.467 491 2HZ LYS 62 HZ2 LYS 62 16.962 22.447 -4.341 492 3HZ LYS 62 HZ3 LYS 62 17.993 23.647 -4.973 493 H GLY 63 HN GLY 63 16.693 17.629 -1.190 494 1HA GLY 63 HA2 GLY 63 18.156 16.127 -2.506 495 2HA GLY 63 HA1 GLY 63 19.542 16.764 -1.613 496 H THR 64 HN THR 64 17.993 16.691 0.957 497 HA THR 64 HA THR 64 18.719 14.005 1.719 498 HB THR 64 HB THR 64 16.992 15.989 3.334 499 HG1 THR 64 HG1 THR 64 18.955 16.804 2.728 500 1HG2 THR 64 HG21 THR 64 17.183 13.592 4.254 501 2HG2 THR 64 HG22 THR 64 17.939 14.837 5.239 502 3HG2 THR 64 HG23 THR 64 18.935 13.806 4.220 503 H SER 65 HN SER 65 17.401 12.135 1.662 504 HA SER 65 HA SER 65 14.755 12.544 0.511 505 1HB SER 65 HB2 SER 65 16.154 10.455 0.098 506 2HB SER 65 HB1 SER 65 15.781 9.962 1.769 507 HG SER 65 HG1 SER 65 13.822 9.499 1.095 508 H LYS 66 HN LYS 66 12.861 11.732 1.306 509 HA LYS 66 HA LYS 66 11.821 12.965 3.480 510 1HB LYS 66 HB2 LYS 66 11.132 10.337 2.320 511 2HB LYS 66 HB1 LYS 66 10.023 11.198 3.350 512 1HG LYS 66 HG2 LYS 66 9.629 12.906 1.805 513 2HG LYS 66 HG1 LYS 66 11.110 12.670 0.921 514 1HD LYS 66 HD2 LYS 66 8.788 10.659 0.927 515 2HD LYS 66 HD1 LYS 66 8.948 11.921 -0.266 516 1HE LYS 66 HE2 LYS 66 9.916 10.044 -1.316 517 2HE LYS 66 HE1 LYS 66 11.322 10.912 -0.722 518 1HZ LYS 66 HZ1 LYS 66 10.379 9.220 1.352 519 2HZ LYS 66 HZ2 LYS 66 11.843 9.154 0.573 520 3HZ LYS 66 HZ3 LYS 66 10.532 8.275 0.022 521 H GLU 67 HN GLU 67 12.903 9.627 3.505 522 HA GLU 67 HA GLU 67 12.318 8.977 6.137 523 1HB GLU 67 HB2 GLU 67 14.413 7.945 4.146 524 2HB GLU 67 HB1 GLU 67 13.918 7.105 5.582 525 1HG GLU 67 HG2 GLU 67 12.570 6.139 3.734 526 2HG GLU 67 HG1 GLU 67 11.496 7.075 4.746 527 H ASP 68 HN ASP 68 15.570 10.192 4.987 528 HA ASP 68 HA ASP 68 16.763 9.940 7.509 529 1HB ASP 68 HB2 ASP 68 17.152 11.683 5.070 530 2HB ASP 68 HB1 ASP 68 18.338 11.579 6.340 531 H ALA 69 HN ALA 69 15.161 12.486 5.923 532 HA ALA 69 HA ALA 69 15.332 14.451 8.023 533 1HB ALA 69 HB1 ALA 69 13.436 15.572 6.752 534 2HB ALA 69 HB2 ALA 69 13.163 14.036 5.911 535 3HB ALA 69 HB3 ALA 69 14.649 14.902 5.675 536 H MET 70 HN MET 70 12.599 12.131 7.282 537 HA MET 70 HA MET 70 10.937 12.560 9.303 538 1HB MET 70 HB2 MET 70 11.929 10.197 7.791 539 2HB MET 70 HB1 MET 70 10.854 9.868 9.073 540 1HG MET 70 HG2 MET 70 9.310 11.553 7.912 541 2HG MET 70 HG1 MET 70 10.455 11.710 6.652 542 1HE MET 70 HE1 MET 70 7.995 11.663 6.088 543 2HE MET 70 HE2 MET 70 7.025 10.225 5.841 544 3HE MET 70 HE3 MET 70 8.157 10.780 4.584 545 H LYS 71 HN LYS 71 13.592 10.374 9.415 546 HA LYS 71 HA LYS 71 13.276 9.709 12.117 547 1HB LYS 71 HB2 LYS 71 14.623 8.509 10.165 548 2HB LYS 71 HB1 LYS 71 15.976 9.478 10.731 549 1HG LYS 71 HG2 LYS 71 15.061 8.803 13.101 550 2HG LYS 71 HG1 LYS 71 14.144 7.664 12.119 551 1HD LYS 71 HD2 LYS 71 16.185 6.576 11.324 552 2HD LYS 71 HD1 LYS 71 17.189 7.827 12.029 553 1HE LYS 71 HE2 LYS 71 15.444 5.890 13.625 554 2HE LYS 71 HE1 LYS 71 17.190 5.758 13.438 555 1HZ LYS 71 HZ1 LYS 71 15.768 7.523 15.279 556 2HZ LYS 71 HZ2 LYS 71 16.540 8.412 14.224 557 3HZ LYS 71 HZ3 LYS 71 17.450 7.342 15.116 558 H ALA 72 HN ALA 72 15.695 12.039 10.542 559 HA ALA 72 HA ALA 72 17.018 12.773 12.804 560 1HB ALA 72 HB1 ALA 72 16.070 14.396 10.385 561 2HB ALA 72 HB2 ALA 72 17.518 13.409 10.450 562 3HB ALA 72 HB3 ALA 72 17.406 14.866 11.415 563 H TYR 73 HN TYR 73 14.037 13.800 11.513 564 HA TYR 73 HA TYR 73 13.309 15.883 13.331 565 1HB TYR 73 HB2 TYR 73 12.523 15.482 10.965 566 2HB TYR 73 HB1 TYR 73 11.712 14.045 11.454 567 HD1 TYR 73 HD1 TYR 73 11.638 17.679 11.498 568 HD2 TYR 73 HD2 TYR 73 9.542 14.154 12.629 569 HE1 TYR 73 HE1 TYR 73 9.653 18.992 11.846 570 HE2 TYR 73 HE2 TYR 73 7.522 15.498 13.003 571 HH TYR 73 HH TYR 73 7.354 18.866 12.085 572 H ILE 74 HN ILE 74 11.718 12.775 12.960 573 HA ILE 74 HA ILE 74 10.338 12.519 15.336 574 HB ILE 74 HB ILE 74 11.983 10.262 14.079 575 1HG1 ILE 74 HG12 ILE 74 8.990 10.709 13.809 576 2HG1 ILE 74 HG11 ILE 74 10.055 11.527 12.697 577 1HG2 ILE 74 HG21 ILE 74 9.544 10.235 15.979 578 2HG2 ILE 74 HG22 ILE 74 11.185 9.811 16.455 579 3HG2 ILE 74 HG23 ILE 74 10.318 8.807 15.309 580 1HD1 ILE 74 HD1 ILE 74 11.056 9.301 12.077 581 2HD1 ILE 74 HD2 ILE 74 9.338 9.330 11.741 582 3HD1 ILE 74 HD3 ILE 74 9.933 8.511 13.169 583 H ASP 75 HN ASP 75 13.784 11.540 14.994 584 HA ASP 75 HA ASP 75 14.243 10.906 17.661 585 1HB ASP 75 HB2 ASP 75 15.978 12.148 15.491 586 2HB ASP 75 HB1 ASP 75 16.577 11.464 16.969 587 H LYS 76 HN LYS 76 15.218 13.763 16.005 588 HA LYS 76 HA LYS 76 15.941 15.515 18.029 589 1HB LYS 76 HB2 LYS 76 14.813 15.927 15.379 590 2HB LYS 76 HB1 LYS 76 14.093 17.089 16.422 591 1HG LYS 76 HG2 LYS 76 17.088 16.715 16.554 592 2HG LYS 76 HG1 LYS 76 16.372 17.674 15.286 593 1HD LYS 76 HD2 LYS 76 15.131 19.026 17.080 594 2HD LYS 76 HD1 LYS 76 15.890 18.036 18.300 595 1HE LYS 76 HE2 LYS 76 16.894 20.351 17.927 596 2HE LYS 76 HE1 LYS 76 18.027 19.022 17.957 597 1HZ LYS 76 HZ1 LYS 76 17.471 20.808 15.776 598 2HZ LYS 76 HZ2 LYS 76 17.227 19.223 15.284 599 3HZ LYS 76 HZ3 LYS 76 18.698 19.677 15.940 600 H VAL 77 HN VAL 77 12.570 14.815 17.099 601 HA VAL 77 HA VAL 77 11.493 16.470 19.182 602 HB VAL 77 HB VAL 77 10.325 14.165 17.528 603 1HG1 VAL 77 HG11 VAL 77 9.054 14.612 19.700 604 2HG1 VAL 77 HG12 VAL 77 8.120 15.122 18.299 605 3HG1 VAL 77 HG13 VAL 77 8.974 16.313 19.252 606 1HG2 VAL 77 HG21 VAL 77 11.054 16.184 16.219 607 2HG2 VAL 77 HG22 VAL 77 10.144 17.233 17.297 608 3HG2 VAL 77 HG23 VAL 77 9.299 16.123 16.258 609 H GLU 78 HN GLU 78 11.972 12.893 18.939 610 HA GLU 78 HA GLU 78 11.079 12.283 21.544 611 1HB GLU 78 HB2 GLU 78 11.935 10.499 19.961 612 2HB GLU 78 HB1 GLU 78 13.575 11.069 20.233 613 1HG GLU 78 HG2 GLU 78 13.594 10.432 22.531 614 2HG GLU 78 HG1 GLU 78 11.842 10.408 22.667 615 H GLU 79 HN GLU 79 14.362 13.559 20.577 616 HA GLU 79 HA GLU 79 15.326 13.570 23.293 617 1HB GLU 79 HB2 GLU 79 16.094 15.231 20.815 618 2HB GLU 79 HB1 GLU 79 16.906 15.450 22.356 619 1HG GLU 79 HG2 GLU 79 18.306 13.893 21.163 620 2HG GLU 79 HG1 GLU 79 17.408 12.917 22.300 621 H LEU 80 HN LEU 80 14.085 16.323 21.304 622 HA LEU 80 HA LEU 80 13.769 18.154 23.414 623 1HB LEU 80 HB2 LEU 80 12.038 17.672 20.961 624 2HB LEU 80 HB1 LEU 80 11.987 19.154 21.881 625 HG LEU 80 HG LEU 80 14.455 18.062 20.432 626 1HD1 LEU 80 HD11 LEU 80 12.529 20.333 19.854 627 2HD1 LEU 80 HD12 LEU 80 12.620 18.826 18.954 628 3HD1 LEU 80 HD13 LEU 80 13.962 19.956 18.904 629 1HD2 LEU 80 HD21 LEU 80 13.997 20.719 21.772 630 2HD2 LEU 80 HD22 LEU 80 15.422 20.220 20.875 631 3HD2 LEU 80 HD23 LEU 80 15.046 19.435 22.388 632 H LYS 81 HN LYS 81 11.750 15.533 22.791 633 HA LYS 81 HA LYS 81 9.558 16.470 24.527 634 1HB LYS 81 HB2 LYS 81 9.109 15.013 22.661 635 2HB LYS 81 HB1 LYS 81 10.208 13.775 23.235 636 1HG LYS 81 HG2 LYS 81 8.716 13.335 25.180 637 2HG LYS 81 HG1 LYS 81 7.708 14.702 24.725 638 1HD LYS 81 HD2 LYS 81 6.830 13.587 22.800 639 2HD LYS 81 HD1 LYS 81 8.187 12.507 22.646 640 1HE LYS 81 HE2 LYS 81 6.153 11.303 23.415 641 2HE LYS 81 HE1 LYS 81 7.415 11.220 24.644 642 1HZ LYS 81 HZ1 LYS 81 4.806 12.362 24.951 643 2HZ LYS 81 HZ2 LYS 81 5.939 13.602 24.940 644 3HZ LYS 81 HZ3 LYS 81 6.072 12.388 26.084 645 H LYS 82 HN LYS 82 12.142 14.136 24.706 646 HA LYS 82 HA LYS 82 11.758 13.291 27.451 647 1HB LYS 82 HB2 LYS 82 14.298 13.499 25.736 648 2HB LYS 82 HB1 LYS 82 14.218 12.583 27.232 649 1HG LYS 82 HG2 LYS 82 12.191 12.008 25.065 650 2HG LYS 82 HG1 LYS 82 13.828 11.467 24.812 651 1HD LYS 82 HD2 LYS 82 13.773 10.114 26.831 652 2HD LYS 82 HD1 LYS 82 12.262 10.814 27.371 653 1HE LYS 82 HE2 LYS 82 11.039 9.351 26.168 654 2HE LYS 82 HE1 LYS 82 11.892 9.766 24.693 655 1HZ LYS 82 HZ1 LYS 82 12.207 7.390 26.216 656 2HZ LYS 82 HZ2 LYS 82 13.686 8.238 26.186 657 3HZ LYS 82 HZ3 LYS 82 12.902 7.892 24.744 658 H LYS 83 HN LYS 83 13.417 15.788 25.931 659 HA LYS 83 HA LYS 83 14.754 17.116 28.096 660 1HB LYS 83 HB2 LYS 83 15.224 17.135 25.590 661 2HB LYS 83 HB1 LYS 83 13.938 18.271 25.475 662 1HG LYS 83 HG2 LYS 83 15.164 19.819 27.108 663 2HG LYS 83 HG1 LYS 83 16.572 18.777 26.909 664 1HD LYS 83 HD2 LYS 83 16.415 19.059 24.413 665 2HD LYS 83 HD1 LYS 83 14.997 20.065 24.626 666 1HE LYS 83 HE2 LYS 83 16.591 21.612 26.044 667 2HE LYS 83 HE1 LYS 83 17.882 20.668 25.306 668 1HZ LYS 83 HZ1 LYS 83 16.139 21.374 23.195 669 2HZ LYS 83 HZ2 LYS 83 17.615 21.974 23.398 670 3HZ LYS 83 HZ3 LYS 83 16.286 22.738 24.138 671 H TYR 84 HN TYR 84 12.041 18.123 26.321 672 HA TYR 84 HA TYR 84 11.429 20.305 28.273 673 1HB TYR 84 HB2 TYR 84 10.549 19.879 25.390 674 2HB TYR 84 HB1 TYR 84 9.895 21.151 26.395 675 HD1 TYR 84 HD1 TYR 84 11.921 22.444 27.739 676 HD2 TYR 84 HD2 TYR 84 12.270 20.612 23.911 677 HE1 TYR 84 HE1 TYR 84 13.825 23.912 27.197 678 HE2 TYR 84 HE2 TYR 84 14.153 22.088 23.400 679 HH TYR 84 HH TYR 84 14.841 24.807 24.996 680 H GLY 85 HN GLY 85 9.817 17.412 27.050 681 1HA GLY 85 HA2 GLY 85 8.087 16.354 28.438 682 2HA GLY 85 HA1 GLY 85 7.634 17.922 29.057 683 H ILE 86 HN ILE 86 5.485 17.244 28.724 684 HA ILE 86 HA ILE 86 4.346 18.067 26.170 685 HB ILE 86 HB ILE 86 4.838 15.558 25.974 686 1HG1 ILE 86 HG12 ILE 86 1.855 16.181 26.153 687 2HG1 ILE 86 HG11 ILE 86 2.845 16.775 24.840 688 1HG2 ILE 86 HG21 ILE 86 2.769 15.398 28.233 689 2HG2 ILE 86 HG22 ILE 86 4.456 15.002 28.418 690 3HG2 ILE 86 HG23 ILE 86 3.429 14.003 27.405 691 1HD1 ILE 86 HD1 ILE 86 1.707 14.719 24.151 692 2HD1 ILE 86 HD2 ILE 86 2.391 13.819 25.494 693 3HD1 ILE 86 HD3 ILE 86 3.435 14.429 24.209 Start of MODEL 13 1 1H SER 1 HT1 SER 1 -2.578 10.435 8.116 2 2H SER 1 HT2 SER 1 -2.760 12.121 7.851 3 3H SER 1 HT3 SER 1 -3.176 11.467 9.352 4 HA SER 1 HA SER 1 -0.710 12.466 8.669 5 1HB SER 1 HB2 SER 1 -1.445 10.869 11.198 6 2HB SER 1 HB1 SER 1 -0.546 12.393 11.084 7 HG SER 1 HG1 SER 1 -2.515 13.284 11.287 8 H GLN 2 HN GLN 2 1.246 11.036 9.739 9 HA GLN 2 HA GLN 2 1.394 8.442 8.247 10 1HB GLN 2 HB2 GLN 2 3.729 10.242 9.146 11 2HB GLN 2 HB1 GLN 2 3.845 8.884 8.049 12 1HG GLN 2 HG2 GLN 2 2.441 10.181 6.387 13 2HG GLN 2 HG1 GLN 2 2.450 11.548 7.483 14 1HE2 GLN 2 HE21 GLN 2 4.408 12.808 7.583 15 2HE2 GLN 2 HE22 GLN 2 5.701 12.561 6.497 16 H ALA 3 HN ALA 3 4.056 7.994 9.906 17 HA ALA 3 HA ALA 3 2.693 6.758 12.196 18 1HB ALA 3 HB1 ALA 3 3.978 5.391 10.597 19 2HB ALA 3 HB2 ALA 3 4.760 5.365 12.162 20 3HB ALA 3 HB3 ALA 3 5.418 6.365 10.868 21 H GLU 4 HN GLU 4 5.742 6.705 13.181 22 HA GLU 4 HA GLU 4 5.463 8.373 15.358 23 1HB GLU 4 HB2 GLU 4 8.184 8.009 14.110 24 2HB GLU 4 HB1 GLU 4 7.728 7.971 15.783 25 1HG GLU 4 HG2 GLU 4 7.467 5.615 13.866 26 2HG GLU 4 HG1 GLU 4 8.114 5.689 15.486 27 H PHE 5 HN PHE 5 7.566 9.223 12.699 28 HA PHE 5 HA PHE 5 8.150 11.803 13.061 29 1HB PHE 5 HB2 PHE 5 8.740 10.682 10.948 30 2HB PHE 5 HB1 PHE 5 6.990 10.634 10.602 31 HD1 PHE 5 HD1 PHE 5 5.902 12.554 9.580 32 HD2 PHE 5 HD2 PHE 5 9.879 12.941 11.035 33 HE1 PHE 5 HE1 PHE 5 6.027 14.761 8.579 34 HE2 PHE 5 HE2 PHE 5 10.018 15.180 10.014 35 HZ PHE 5 HZ PHE 5 8.087 16.092 8.776 36 H ASP 6 HN ASP 6 5.034 11.120 11.381 37 HA ASP 6 HA ASP 6 4.120 13.768 11.487 38 1HB ASP 6 HB2 ASP 6 3.037 11.057 11.040 39 2HB ASP 6 HB1 ASP 6 1.866 12.102 11.798 40 H LYS 7 HN LYS 7 3.506 11.150 13.630 41 HA LYS 7 HA LYS 7 1.997 12.550 15.617 42 1HB LYS 7 HB2 LYS 7 2.540 10.044 15.593 43 2HB LYS 7 HB1 LYS 7 4.104 10.410 16.298 44 1HG LYS 7 HG2 LYS 7 3.025 11.642 18.152 45 2HG LYS 7 HG1 LYS 7 1.450 11.280 17.493 46 1HD LYS 7 HD2 LYS 7 1.970 8.795 17.767 47 2HD LYS 7 HD1 LYS 7 3.517 9.246 18.447 48 1HE LYS 7 HE2 LYS 7 2.023 8.798 20.306 49 2HE LYS 7 HE1 LYS 7 2.403 10.511 20.263 50 1HZ LYS 7 HZ1 LYS 7 0.180 10.095 18.592 51 2HZ LYS 7 HZ2 LYS 7 0.232 10.971 20.029 52 3HZ LYS 7 HZ3 LYS 7 -0.171 9.314 20.062 53 H ALA 8 HN ALA 8 5.562 12.205 15.286 54 HA ALA 8 HA ALA 8 6.313 13.670 17.546 55 1HB ALA 8 HB1 ALA 8 7.690 13.293 14.807 56 2HB ALA 8 HB2 ALA 8 7.836 12.225 16.173 57 3HB ALA 8 HB3 ALA 8 8.532 13.816 16.228 58 H ALA 9 HN ALA 9 6.020 14.686 14.329 59 HA ALA 9 HA ALA 9 6.422 17.489 14.673 60 1HB ALA 9 HB1 ALA 9 6.380 16.370 12.460 61 2HB ALA 9 HB2 ALA 9 5.243 17.701 12.498 62 3HB ALA 9 HB3 ALA 9 4.668 16.038 12.627 63 H GLU 10 HN GLU 10 3.462 15.605 15.020 64 HA GLU 10 HA GLU 10 1.711 17.852 15.382 65 1HB GLU 10 HB2 GLU 10 1.171 15.583 14.532 66 2HB GLU 10 HB1 GLU 10 1.496 14.907 16.102 67 1HG GLU 10 HG2 GLU 10 -0.305 16.181 17.132 68 2HG GLU 10 HG1 GLU 10 -0.584 17.079 15.646 69 H GLU 11 HN GLU 11 3.450 15.666 17.600 70 HA GLU 11 HA GLU 11 2.385 16.832 19.963 71 1HB GLU 11 HB2 GLU 11 4.873 15.147 19.316 72 2HB GLU 11 HB1 GLU 11 4.344 15.573 20.923 73 1HG GLU 11 HG2 GLU 11 2.157 14.330 20.481 74 2HG GLU 11 HG1 GLU 11 2.795 13.808 18.950 75 H VAL 12 HN VAL 12 5.354 17.343 18.083 76 HA VAL 12 HA VAL 12 6.648 19.235 19.741 77 HB VAL 12 HB VAL 12 7.198 18.194 17.249 78 1HG1 VAL 12 HG11 VAL 12 6.813 21.199 16.759 79 2HG1 VAL 12 HG12 VAL 12 5.845 19.945 16.005 80 3HG1 VAL 12 HG13 VAL 12 7.541 20.047 15.656 81 1HG2 VAL 12 HG21 VAL 12 9.216 19.645 17.304 82 2HG2 VAL 12 HG22 VAL 12 8.887 18.953 18.864 83 3HG2 VAL 12 HG23 VAL 12 8.471 20.632 18.545 84 H LYS 13 HN LYS 13 4.270 19.747 17.098 85 HA LYS 13 HA LYS 13 3.880 22.515 17.488 86 1HB LYS 13 HB2 LYS 13 1.890 20.351 16.676 87 2HB LYS 13 HB1 LYS 13 1.546 22.064 16.557 88 1HG LYS 13 HG2 LYS 13 3.407 22.372 14.995 89 2HG LYS 13 HG1 LYS 13 3.885 20.706 15.134 90 1HD LYS 13 HD2 LYS 13 1.342 20.208 14.448 91 2HD LYS 13 HD1 LYS 13 1.322 21.884 13.955 92 1HE LYS 13 HE2 LYS 13 1.801 20.557 11.976 93 2HE LYS 13 HE1 LYS 13 3.279 21.390 12.423 94 1HZ LYS 13 HZ1 LYS 13 2.822 18.569 12.316 95 2HZ LYS 13 HZ2 LYS 13 3.229 19.034 13.910 96 3HZ LYS 13 HZ3 LYS 13 4.261 19.401 12.594 97 H HIS 14 HN HIS 14 3.411 20.340 19.843 98 HA HIS 14 HA HIS 14 1.657 22.123 21.433 99 1HB HIS 14 HB2 HIS 14 1.271 19.111 21.133 100 2HB HIS 14 HB1 HIS 14 0.406 20.094 22.304 101 HD1 HIS 14 HD1 HIS 14 0.517 19.322 18.743 102 HD2 HIS 14 HD2 HIS 14 -1.548 21.865 21.176 103 HE1 HIS 14 HE1 HIS 14 -1.404 20.210 17.397 104 H LEU 15 HN LEU 15 4.661 21.319 21.402 105 HA LEU 15 HA LEU 15 5.244 19.667 23.607 106 1HB LEU 15 HB2 LEU 15 6.644 22.281 22.940 107 2HB LEU 15 HB1 LEU 15 7.300 21.066 23.998 108 HG LEU 15 HG LEU 15 6.928 20.892 21.008 109 1HD1 LEU 15 HD11 LEU 15 9.318 20.816 22.845 110 2HD1 LEU 15 HD12 LEU 15 8.810 22.173 21.870 111 3HD1 LEU 15 HD13 LEU 15 9.381 20.704 21.094 112 1HD2 LEU 15 HD21 LEU 15 6.402 18.645 21.997 113 2HD2 LEU 15 HD22 LEU 15 7.859 18.741 22.982 114 3HD2 LEU 15 HD23 LEU 15 7.990 18.595 21.241 115 H LYS 16 HN LYS 16 5.495 19.894 25.848 116 HA LYS 16 HA LYS 16 3.710 21.633 27.153 117 1HB LYS 16 HB2 LYS 16 4.607 19.486 28.073 118 2HB LYS 16 HB1 LYS 16 6.203 20.175 28.130 119 1HG LYS 16 HG2 LYS 16 5.873 21.254 30.090 120 2HG LYS 16 HG1 LYS 16 4.314 21.887 29.615 121 1HD LYS 16 HD2 LYS 16 4.738 18.953 30.360 122 2HD LYS 16 HD1 LYS 16 4.286 20.164 31.551 123 1HE LYS 16 HE2 LYS 16 2.202 20.625 30.448 124 2HE LYS 16 HE1 LYS 16 2.689 19.795 28.981 125 1HZ LYS 16 HZ1 LYS 16 1.434 18.596 31.248 126 2HZ LYS 16 HZ2 LYS 16 3.012 17.934 30.980 127 3HZ LYS 16 HZ3 LYS 16 1.968 17.921 29.763 128 H THR 17 HN THR 17 6.936 21.970 26.313 129 HA THR 17 HA THR 17 7.037 24.800 27.342 130 HB THR 17 HB THR 17 9.441 22.912 27.107 131 HG1 THR 17 HG1 THR 17 8.857 23.704 29.559 132 1HG2 THR 17 HG21 THR 17 10.159 25.346 27.188 133 2HG2 THR 17 HG22 THR 17 10.516 24.529 28.672 134 3HG2 THR 17 HG23 THR 17 9.121 25.587 28.601 135 H LYS 18 HN LYS 18 8.771 26.082 26.287 136 HA LYS 18 HA LYS 18 8.371 25.998 23.380 137 1HB LYS 18 HB2 LYS 18 9.591 28.078 25.242 138 2HB LYS 18 HB1 LYS 18 9.634 28.226 23.504 139 1HG LYS 18 HG2 LYS 18 7.158 28.177 23.421 140 2HG LYS 18 HG1 LYS 18 7.096 28.041 25.176 141 1HD LYS 18 HD2 LYS 18 8.207 30.240 25.445 142 2HD LYS 18 HD1 LYS 18 8.632 30.301 23.755 143 1HE LYS 18 HE2 LYS 18 6.769 31.776 24.066 144 2HE LYS 18 HE1 LYS 18 6.184 30.362 23.191 145 1HZ LYS 18 HZ1 LYS 18 5.295 31.327 25.697 146 2HZ LYS 18 HZ2 LYS 18 6.076 29.839 25.955 147 3HZ LYS 18 HZ3 LYS 18 4.763 29.923 24.897 148 HA PRO 19 HA PRO 19 12.542 24.301 23.216 149 1HB PRO 19 HB2 PRO 19 12.584 23.520 20.616 150 2HB PRO 19 HB1 PRO 19 11.447 22.750 21.727 151 1HG PRO 19 HG2 PRO 19 10.933 25.181 19.915 152 2HG PRO 19 HG1 PRO 19 10.019 23.679 19.918 153 1HD PRO 19 HD2 PRO 19 9.186 25.852 21.388 154 2HD PRO 19 HD1 PRO 19 8.965 24.223 22.073 155 H ALA 20 HN ALA 20 14.412 24.781 21.527 156 HA ALA 20 HA ALA 20 14.547 27.775 21.388 157 1HB ALA 20 HB1 ALA 20 16.996 27.464 21.225 158 2HB ALA 20 HB2 ALA 20 16.785 25.719 21.145 159 3HB ALA 20 HB3 ALA 20 16.334 26.607 22.600 160 H ASP 21 HN ASP 21 15.322 28.907 19.740 161 HA ASP 21 HA ASP 21 14.231 28.831 17.292 162 1HB ASP 21 HB2 ASP 21 16.992 29.879 18.001 163 2HB ASP 21 HB1 ASP 21 15.924 30.495 16.743 164 H GLU 22 HN GLU 22 17.639 27.771 17.505 165 HA GLU 22 HA GLU 22 17.654 26.733 14.854 166 1HB GLU 22 HB2 GLU 22 19.376 26.118 17.329 167 2HB GLU 22 HB1 GLU 22 19.725 25.332 15.808 168 1HG GLU 22 HG2 GLU 22 20.044 27.567 14.684 169 2HG GLU 22 HG1 GLU 22 19.687 28.392 16.190 170 H GLU 23 HN GLU 23 16.466 25.140 17.722 171 HA GLU 23 HA GLU 23 16.335 22.496 16.455 172 1HB GLU 23 HB2 GLU 23 15.602 23.777 19.101 173 2HB GLU 23 HB1 GLU 23 14.725 22.326 18.695 174 1HG GLU 23 HG2 GLU 23 17.807 22.315 18.456 175 2HG GLU 23 HG1 GLU 23 17.078 22.135 20.033 176 H MET 24 HN MET 24 13.980 25.088 17.320 177 HA MET 24 HA MET 24 11.731 23.806 16.012 178 1HB MET 24 HB2 MET 24 10.748 26.158 15.687 179 2HB MET 24 HB1 MET 24 11.292 25.839 17.319 180 1HG MET 24 HG2 MET 24 13.222 27.107 17.044 181 2HG MET 24 HG1 MET 24 12.987 27.303 15.326 182 1HE MET 24 HE1 MET 24 13.435 30.294 16.000 183 2HE MET 24 HE2 MET 24 11.970 30.640 15.075 184 3HE MET 24 HE3 MET 24 12.977 29.289 14.606 185 H LEU 25 HN LEU 25 14.340 26.016 14.659 186 HA LEU 25 HA LEU 25 13.472 25.881 12.028 187 1HB LEU 25 HB2 LEU 25 15.974 26.497 13.590 188 2HB LEU 25 HB1 LEU 25 16.263 26.096 11.929 189 HG LEU 25 HG LEU 25 14.164 28.109 12.819 190 1HD1 LEU 25 HD11 LEU 25 16.477 28.927 13.446 191 2HD1 LEU 25 HD12 LEU 25 15.810 29.859 12.101 192 3HD1 LEU 25 HD13 LEU 25 17.018 28.623 11.810 193 1HD2 LEU 25 HD21 LEU 25 14.419 28.836 10.434 194 2HD2 LEU 25 HD22 LEU 25 13.953 27.140 10.530 195 3HD2 LEU 25 HD23 LEU 25 15.620 27.571 10.201 196 H PHE 26 HN PHE 26 15.553 23.702 13.900 197 HA PHE 26 HA PHE 26 16.340 21.928 11.790 198 1HB PHE 26 HB2 PHE 26 17.170 21.798 14.178 199 2HB PHE 26 HB1 PHE 26 15.638 21.112 14.668 200 HD1 PHE 26 HD1 PHE 26 18.826 20.442 13.072 201 HD2 PHE 26 HD2 PHE 26 14.928 18.872 13.723 202 HE1 PHE 26 HE1 PHE 26 19.613 18.194 12.454 203 HE2 PHE 26 HE2 PHE 26 15.711 16.634 13.119 204 HZ PHE 26 HZ PHE 26 18.057 16.294 12.475 205 H ILE 27 HN ILE 27 13.557 21.830 13.927 206 HA ILE 27 HA ILE 27 12.176 19.612 12.729 207 HB ILE 27 HB ILE 27 11.362 22.064 14.313 208 1HG1 ILE 27 HG12 ILE 27 10.616 20.512 16.042 209 2HG1 ILE 27 HG11 ILE 27 10.695 19.128 14.976 210 1HG2 ILE 27 HG21 ILE 27 9.389 21.718 12.740 211 2HG2 ILE 27 HG22 ILE 27 8.943 21.337 14.379 212 3HG2 ILE 27 HG23 ILE 27 9.320 20.059 13.262 213 1HD1 ILE 27 HD1 ILE 27 13.081 20.725 16.034 214 2HD1 ILE 27 HD2 ILE 27 13.187 19.367 14.931 215 3HD1 ILE 27 HD3 ILE 27 12.585 19.123 16.548 216 H TYR 28 HN TYR 28 11.158 22.893 12.493 217 HA TYR 28 HA TYR 28 9.720 23.192 10.223 218 1HB TYR 28 HB2 TYR 28 10.851 25.132 11.397 219 2HB TYR 28 HB1 TYR 28 12.276 24.827 10.436 220 HD1 TYR 28 HD1 TYR 28 8.781 25.947 10.324 221 HD2 TYR 28 HD2 TYR 28 12.317 25.294 8.011 222 HE1 TYR 28 HE1 TYR 28 7.829 27.239 8.438 223 HE2 TYR 28 HE2 TYR 28 11.337 26.559 6.177 224 HH TYR 28 HH TYR 28 9.424 28.594 6.293 225 H SER 29 HN SER 29 13.317 23.074 9.718 226 HA SER 29 HA SER 29 13.199 22.719 6.979 227 1HB SER 29 HB2 SER 29 15.710 22.403 7.444 228 2HB SER 29 HB1 SER 29 15.066 23.727 8.375 229 HG SER 29 HG1 SER 29 15.050 22.484 10.201 230 H HIS 30 HN HIS 30 14.455 20.349 9.245 231 HA HIS 30 HA HIS 30 14.431 18.113 7.561 232 1HB HIS 30 HB2 HIS 30 13.978 18.392 10.573 233 2HB HIS 30 HB1 HIS 30 13.935 16.798 9.851 234 HD1 HIS 30 HD1 HIS 30 16.088 15.783 9.468 235 HD2 HIS 30 HD2 HIS 30 16.557 19.771 10.117 236 HE1 HIS 30 HE1 HIS 30 18.557 16.187 9.570 237 H TYR 31 HN TYR 31 11.739 19.505 9.217 238 HA TYR 31 HA TYR 31 9.766 17.501 8.834 239 1HB TYR 31 HB2 TYR 31 9.700 19.427 10.488 240 2HB TYR 31 HB1 TYR 31 9.594 20.540 9.191 241 HD1 TYR 31 HD1 TYR 31 7.804 17.507 10.483 242 HD2 TYR 31 HD2 TYR 31 7.507 21.386 8.639 243 HE1 TYR 31 HE1 TYR 31 5.372 17.386 10.559 244 HE2 TYR 31 HE2 TYR 31 5.039 21.215 8.811 245 HH TYR 31 HH TYR 31 3.453 18.322 9.493 246 H LYS 32 HN LYS 32 10.378 20.551 7.316 247 HA LYS 32 HA LYS 32 8.511 20.297 5.193 248 1HB LYS 32 HB2 LYS 32 11.194 21.672 5.169 249 2HB LYS 32 HB1 LYS 32 9.917 21.867 4.005 250 1HG LYS 32 HG2 LYS 32 9.202 22.359 6.846 251 2HG LYS 32 HG1 LYS 32 10.090 23.561 5.974 252 1HD LYS 32 HD2 LYS 32 7.651 23.807 6.148 253 2HD LYS 32 HD1 LYS 32 8.222 23.938 4.495 254 1HE LYS 32 HE2 LYS 32 6.828 21.610 5.831 255 2HE LYS 32 HE1 LYS 32 6.064 22.825 4.819 256 1HZ LYS 32 HZ1 LYS 32 8.225 21.678 3.374 257 2HZ LYS 32 HZ2 LYS 32 6.569 21.675 3.024 258 3HZ LYS 32 HZ3 LYS 32 7.185 20.411 3.971 259 H GLN 33 HN GLN 33 11.776 19.166 5.486 260 HA GLN 33 HA GLN 33 12.015 17.866 2.915 261 1HB GLN 33 HB2 GLN 33 13.902 18.490 4.450 262 2HB GLN 33 HB1 GLN 33 13.413 17.199 5.533 263 1HG GLN 33 HG2 GLN 33 15.267 16.471 3.963 264 2HG GLN 33 HG1 GLN 33 13.837 15.488 3.820 265 1HE2 GLN 33 HE21 GLN 33 15.756 17.947 2.076 266 2HE2 GLN 33 HE22 GLN 33 14.878 17.647 0.637 267 H ALA 34 HN ALA 34 10.962 16.666 6.030 268 HA ALA 34 HA ALA 34 10.343 13.975 4.986 269 1HB ALA 34 HB1 ALA 34 10.038 15.302 7.689 270 2HB ALA 34 HB2 ALA 34 11.332 14.234 7.194 271 3HB ALA 34 HB3 ALA 34 9.707 13.598 7.417 272 H THR 35 HN THR 35 8.832 16.751 4.641 273 HA THR 35 HA THR 35 6.021 15.632 4.721 274 HB THR 35 HB THR 35 5.149 18.045 4.697 275 HG1 THR 35 HG1 THR 35 7.813 18.419 5.371 276 1HG2 THR 35 HG21 THR 35 7.008 17.403 7.033 277 2HG2 THR 35 HG22 THR 35 5.359 16.854 6.897 278 3HG2 THR 35 HG23 THR 35 5.707 18.569 7.014 279 H VAL 36 HN VAL 36 7.819 17.959 2.982 280 HA VAL 36 HA VAL 36 6.196 17.394 0.485 281 HB VAL 36 HB VAL 36 7.823 19.890 1.194 282 1HG1 VAL 36 HG11 VAL 36 7.796 19.499 -1.269 283 2HG1 VAL 36 HG12 VAL 36 6.819 20.887 -0.880 284 3HG1 VAL 36 HG13 VAL 36 6.043 19.352 -1.259 285 1HG2 VAL 36 HG21 VAL 36 4.818 19.490 0.952 286 2HG2 VAL 36 HG22 VAL 36 5.590 21.018 1.294 287 3HG2 VAL 36 HG23 VAL 36 5.666 19.696 2.463 288 H GLY 37 HN GLY 37 9.295 17.739 1.798 289 1HA GLY 37 HA2 GLY 37 11.145 16.287 1.008 290 2HA GLY 37 HA1 GLY 37 10.582 16.555 -0.644 291 H ASP 38 HN ASP 38 12.275 17.574 -1.542 292 HA ASP 38 HA ASP 38 13.948 19.417 -0.416 293 1HB ASP 38 HB2 ASP 38 13.012 19.431 -3.370 294 2HB ASP 38 HB1 ASP 38 14.554 19.874 -2.627 295 H ILE 39 HN ILE 39 14.096 21.742 -1.360 296 HA ILE 39 HA ILE 39 11.521 23.021 -0.579 297 HB ILE 39 HB ILE 39 13.663 23.468 0.636 298 1HG1 ILE 39 HG12 ILE 39 12.225 25.804 -0.690 299 2HG1 ILE 39 HG11 ILE 39 11.519 24.787 0.499 300 1HG2 ILE 39 HG21 ILE 39 15.276 23.604 -1.293 301 2HG2 ILE 39 HG22 ILE 39 15.201 25.136 -0.446 302 3HG2 ILE 39 HG23 ILE 39 14.393 24.985 -1.941 303 1HD1 ILE 39 HD1 ILE 39 13.426 25.297 2.074 304 2HD1 ILE 39 HD2 ILE 39 12.556 26.752 1.695 305 3HD1 ILE 39 HD3 ILE 39 14.095 26.422 0.931 306 H ASN 40 HN ASN 40 10.271 23.340 -2.284 307 HA ASN 40 HA ASN 40 11.454 24.524 -4.780 308 1HB ASN 40 HB2 ASN 40 9.920 22.951 -6.051 309 2HB ASN 40 HB1 ASN 40 11.095 22.057 -5.080 310 1HD2 ASN 40 HD21 ASN 40 8.262 21.369 -5.951 311 2HD2 ASN 40 HD22 ASN 40 7.523 20.948 -4.473 312 H THR 41 HN THR 41 10.026 25.261 -2.356 313 HA THR 41 HA THR 41 7.735 26.784 -3.459 314 HB THR 41 HB THR 41 6.796 26.491 -1.020 315 HG1 THR 41 HG1 THR 41 8.525 25.882 0.110 316 1HG2 THR 41 HG21 THR 41 6.245 24.148 -1.315 317 2HG2 THR 41 HG22 THR 41 7.641 23.871 -2.346 318 3HG2 THR 41 HG23 THR 41 6.280 24.797 -2.951 319 H GLU 42 HN GLU 42 7.051 28.440 -2.001 320 HA GLU 42 HA GLU 42 7.611 30.750 -2.117 321 1HB GLU 42 HB2 GLU 42 7.731 29.793 0.720 322 2HB GLU 42 HB1 GLU 42 6.861 31.215 0.166 323 1HG GLU 42 HG2 GLU 42 5.968 28.285 -0.195 324 2HG GLU 42 HG1 GLU 42 5.093 29.598 0.536 325 H ARG 43 HN ARG 43 10.383 29.866 -1.746 326 HA ARG 43 HA ARG 43 12.011 31.223 -0.114 327 1HB ARG 43 HB2 ARG 43 12.707 30.261 -2.258 328 2HB ARG 43 HB1 ARG 43 12.271 31.758 -3.056 329 1HG ARG 43 HG2 ARG 43 13.817 33.048 -1.559 330 2HG ARG 43 HG1 ARG 43 14.195 31.547 -0.685 331 1HD ARG 43 HD2 ARG 43 15.167 30.603 -2.753 332 2HD ARG 43 HD1 ARG 43 14.589 31.988 -3.673 333 HE ARG 43 HE ARG 43 16.592 33.175 -2.820 334 1HH1 ARG 43 HH21 ARG 43 15.616 32.990 -0.183 335 2HH1 ARG 43 HH22 ARG 43 16.816 32.066 0.680 336 1HH2 ARG 43 HH11 ARG 43 18.268 31.026 -2.269 337 2HH2 ARG 43 HH12 ARG 43 18.308 30.961 -0.514 338 HA PRO 44 HA PRO 44 10.280 35.210 1.040 339 1HB PRO 44 HB2 PRO 44 13.253 35.538 0.598 340 2HB PRO 44 HB1 PRO 44 12.242 36.456 1.724 341 1HG PRO 44 HG2 PRO 44 13.451 34.203 2.501 342 2HG PRO 44 HG1 PRO 44 11.821 34.544 3.115 343 1HD PRO 44 HD2 PRO 44 12.700 32.373 1.268 344 2HD PRO 44 HD1 PRO 44 11.085 32.534 1.945 345 H GLY 45 HN GLY 45 12.576 35.657 -1.453 346 1HA GLY 45 HA2 GLY 45 12.365 36.822 -3.609 347 2HA GLY 45 HA1 GLY 45 10.629 36.713 -3.394 348 H MET 46 HN MET 46 9.850 38.202 -1.585 349 HA MET 46 HA MET 46 10.758 40.965 -2.177 350 1HB MET 46 HB2 MET 46 8.309 40.092 -0.544 351 2HB MET 46 HB1 MET 46 8.519 41.633 -1.362 352 1HG MET 46 HG2 MET 46 6.938 40.335 -2.634 353 2HG MET 46 HG1 MET 46 8.413 40.432 -3.551 354 1HE MET 46 HE1 MET 46 7.490 37.069 -0.808 355 2HE MET 46 HE2 MET 46 6.046 37.238 -1.821 356 3HE MET 46 HE3 MET 46 6.650 38.600 -0.900 357 H LEU 47 HN LEU 47 9.669 41.972 0.360 358 HA LEU 47 HA LEU 47 12.033 41.632 2.002 359 1HB LEU 47 HB2 LEU 47 9.419 43.135 2.426 360 2HB LEU 47 HB1 LEU 47 10.750 43.237 3.546 361 HG LEU 47 HG LEU 47 11.124 43.898 0.583 362 1HD1 LEU 47 HD11 LEU 47 10.453 45.770 2.910 363 2HD1 LEU 47 HD12 LEU 47 9.354 45.380 1.593 364 3HD1 LEU 47 HD13 LEU 47 10.829 46.267 1.269 365 1HD2 LEU 47 HD21 LEU 47 12.631 44.717 3.134 366 2HD2 LEU 47 HD22 LEU 47 13.055 45.187 1.497 367 3HD2 LEU 47 HD23 LEU 47 13.195 43.513 1.995 368 H ASP 48 HN ASP 48 11.981 41.399 4.190 369 HA ASP 48 HA ASP 48 10.664 40.374 6.242 370 1HB ASP 48 HB2 ASP 48 9.488 38.541 5.104 371 2HB ASP 48 HB1 ASP 48 10.949 38.031 4.274 372 H PHE 49 HN PHE 49 12.031 38.633 7.751 373 HA PHE 49 HA PHE 49 14.835 38.540 7.076 374 1HB PHE 49 HB2 PHE 49 13.757 39.767 9.702 375 2HB PHE 49 HB1 PHE 49 15.425 39.668 9.205 376 HD1 PHE 49 HD1 PHE 49 16.155 41.114 7.121 377 HD2 PHE 49 HD2 PHE 49 12.460 41.668 9.160 378 HE1 PHE 49 HE1 PHE 49 15.954 43.365 6.158 379 HE2 PHE 49 HE2 PHE 49 12.269 43.920 8.191 380 HZ PHE 49 HZ PHE 49 14.018 44.764 6.691 381 H LYS 50 HN LYS 50 12.285 38.004 9.352 382 HA LYS 50 HA LYS 50 13.314 35.561 10.583 383 1HB LYS 50 HB2 LYS 50 11.407 35.891 12.087 384 2HB LYS 50 HB1 LYS 50 12.164 37.444 11.775 385 1HG LYS 50 HG2 LYS 50 10.342 37.458 9.719 386 2HG LYS 50 HG1 LYS 50 9.518 36.355 10.767 387 1HD LYS 50 HD2 LYS 50 8.571 38.409 11.362 388 2HD LYS 50 HD1 LYS 50 9.756 38.155 12.627 389 1HE LYS 50 HE2 LYS 50 11.343 39.700 11.534 390 2HE LYS 50 HE1 LYS 50 10.287 39.840 10.135 391 1HZ LYS 50 HZ1 LYS 50 8.742 40.435 12.417 392 2HZ LYS 50 HZ2 LYS 50 9.172 41.488 11.174 393 3HZ LYS 50 HZ3 LYS 50 10.138 41.360 12.558 394 H GLY 51 HN GLY 51 12.473 35.512 7.870 395 1HA GLY 51 HA2 GLY 51 10.738 33.014 7.745 396 2HA GLY 51 HA1 GLY 51 10.552 34.305 6.532 397 H LYS 52 HN LYS 52 12.754 35.070 5.953 398 HA LYS 52 HA LYS 52 14.015 33.384 4.085 399 1HB LYS 52 HB2 LYS 52 15.536 35.166 3.786 400 2HB LYS 52 HB1 LYS 52 14.508 35.984 4.938 401 1HG LYS 52 HG2 LYS 52 15.980 35.487 6.803 402 2HG LYS 52 HG1 LYS 52 16.942 34.402 5.822 403 1HD LYS 52 HD2 LYS 52 17.473 36.419 4.287 404 2HD LYS 52 HD1 LYS 52 16.614 37.436 5.412 405 1HE LYS 52 HE2 LYS 52 19.106 37.520 5.669 406 2HE LYS 52 HE1 LYS 52 18.271 37.053 7.148 407 1HZ LYS 52 HZ1 LYS 52 18.646 34.753 5.648 408 2HZ LYS 52 HZ2 LYS 52 19.445 35.119 7.104 409 3HZ LYS 52 HZ3 LYS 52 20.159 35.511 5.616 410 H ALA 53 HN ALA 53 14.737 33.630 7.509 411 HA ALA 53 HA ALA 53 16.933 31.763 7.483 412 1HB ALA 53 HB1 ALA 53 14.877 32.403 9.690 413 2HB ALA 53 HB2 ALA 53 16.365 33.276 9.392 414 3HB ALA 53 HB3 ALA 53 16.427 31.619 9.969 415 H LYS 54 HN LYS 54 13.605 31.005 8.731 416 HA LYS 54 HA LYS 54 13.681 28.276 8.594 417 1HB LYS 54 HB2 LYS 54 11.572 30.369 8.242 418 2HB LYS 54 HB1 LYS 54 11.112 28.796 7.683 419 1HG LYS 54 HG2 LYS 54 10.402 28.606 9.873 420 2HG LYS 54 HG1 LYS 54 11.999 27.962 10.054 421 1HD LYS 54 HD2 LYS 54 11.942 29.508 11.838 422 2HD LYS 54 HD1 LYS 54 12.662 30.502 10.587 423 1HE LYS 54 HE2 LYS 54 10.401 31.392 9.988 424 2HE LYS 54 HE1 LYS 54 9.685 30.370 11.227 425 1HZ LYS 54 HZ1 LYS 54 10.161 31.968 12.757 426 2HZ LYS 54 HZ2 LYS 54 10.822 32.903 11.495 427 3HZ LYS 54 HZ3 LYS 54 11.804 31.841 12.396 428 H TRP 55 HN TRP 55 12.926 30.245 5.743 429 HA TRP 55 HA TRP 55 12.441 28.038 4.096 430 1HB TRP 55 HB2 TRP 55 11.828 30.484 3.707 431 2HB TRP 55 HB1 TRP 55 13.470 30.754 3.168 432 HD1 TRP 55 HD1 TRP 55 10.200 28.923 2.131 433 HE1 TRP 55 HE1 TRP 55 10.675 27.998 -0.217 434 HE3 TRP 55 HE3 TRP 55 15.128 29.945 1.577 435 HZ2 TRP 55 HZ2 TRP 55 12.684 27.667 -2.055 436 HZ3 TRP 55 HZ3 TRP 55 16.323 29.303 -0.472 437 HH2 TRP 55 HH2 TRP 55 15.107 28.164 -2.307 438 H ASP 56 HN ASP 56 15.137 30.131 4.144 439 HA ASP 56 HA ASP 56 16.796 28.507 2.425 440 1HB ASP 56 HB2 ASP 56 17.364 30.656 4.484 441 2HB ASP 56 HB1 ASP 56 18.699 29.743 3.826 442 H ALA 57 HN ALA 57 16.360 28.414 5.911 443 HA ALA 57 HA ALA 57 18.213 26.509 6.679 444 1HB ALA 57 HB1 ALA 57 15.370 26.909 7.743 445 2HB ALA 57 HB2 ALA 57 16.785 27.822 8.258 446 3HB ALA 57 HB3 ALA 57 16.662 26.098 8.601 447 H TRP 58 HN TRP 58 15.049 26.131 5.228 448 HA TRP 58 HA TRP 58 15.159 23.138 5.425 449 1HB TRP 58 HB2 TRP 58 13.031 24.238 5.457 450 2HB TRP 58 HB1 TRP 58 13.363 25.112 4.009 451 HD1 TRP 58 HD1 TRP 58 14.465 21.343 3.665 452 HE1 TRP 58 HE1 TRP 58 12.558 20.377 2.146 453 HE3 TRP 58 HE3 TRP 58 11.051 25.076 3.692 454 HZ2 TRP 58 HZ2 TRP 58 10.063 21.006 1.069 455 HZ3 TRP 58 HZ3 TRP 58 8.956 24.910 2.480 456 HH2 TRP 58 HH2 TRP 58 8.452 22.928 1.125 457 H ASN 59 HN ASN 59 15.614 25.698 2.940 458 HA ASN 59 HA ASN 59 16.274 24.137 0.752 459 1HB ASN 59 HB2 ASN 59 16.125 26.709 0.762 460 2HB ASN 59 HB1 ASN 59 17.517 26.757 1.801 461 1HD2 ASN 59 HD21 ASN 59 18.392 28.309 0.298 462 2HD2 ASN 59 HD22 ASN 59 19.187 27.650 -1.067 463 H GLU 60 HN GLU 60 18.343 25.041 3.322 464 HA GLU 60 HA GLU 60 20.830 24.055 2.686 465 1HB GLU 60 HB2 GLU 60 20.302 25.413 4.643 466 2HB GLU 60 HB1 GLU 60 19.330 24.132 5.319 467 1HG GLU 60 HG2 GLU 60 21.287 22.731 5.702 468 2HG GLU 60 HG1 GLU 60 22.324 23.890 4.878 469 H LEU 61 HN LEU 61 18.074 22.330 3.518 470 HA LEU 61 HA LEU 61 19.323 19.635 3.651 471 1HB LEU 61 HB2 LEU 61 16.548 20.473 4.416 472 2HB LEU 61 HB1 LEU 61 17.258 18.892 4.712 473 HG LEU 61 HG LEU 61 18.143 21.541 5.974 474 1HD1 LEU 61 HD11 LEU 61 15.960 20.487 6.743 475 2HD1 LEU 61 HD12 LEU 61 17.202 20.463 7.980 476 3HD1 LEU 61 HD13 LEU 61 16.831 19.010 7.082 477 1HD2 LEU 61 HD21 LEU 61 19.654 20.127 7.326 478 2HD2 LEU 61 HD22 LEU 61 20.071 19.943 5.636 479 3HD2 LEU 61 HD23 LEU 61 19.170 18.679 6.465 480 H LYS 62 HN LYS 62 17.823 21.512 1.379 481 HA LYS 62 HA LYS 62 15.945 20.463 0.061 482 1HB LYS 62 HB2 LYS 62 17.334 22.261 -0.888 483 2HB LYS 62 HB1 LYS 62 18.643 21.192 -1.203 484 1HG LYS 62 HG2 LYS 62 16.761 19.860 -2.687 485 2HG LYS 62 HG1 LYS 62 15.871 21.334 -2.439 486 1HD LYS 62 HD2 LYS 62 17.459 22.645 -3.670 487 2HD LYS 62 HD1 LYS 62 18.545 21.281 -3.883 488 1HE LYS 62 HE2 LYS 62 15.610 21.274 -4.807 489 2HE LYS 62 HE1 LYS 62 16.945 21.673 -5.879 490 1HZ LYS 62 HZ1 LYS 62 17.659 19.349 -4.525 491 2HZ LYS 62 HZ2 LYS 62 17.224 19.426 -6.176 492 3HZ LYS 62 HZ3 LYS 62 16.094 19.062 -4.930 493 H GLY 63 HN GLY 63 18.865 18.393 -0.323 494 1HA GLY 63 HA2 GLY 63 16.942 16.556 -1.649 495 2HA GLY 63 HA1 GLY 63 18.664 16.603 -1.980 496 H THR 64 HN THR 64 17.754 16.968 1.198 497 HA THR 64 HA THR 64 19.051 14.474 2.020 498 HB THR 64 HB THR 64 17.551 16.570 3.664 499 HG1 THR 64 HG1 THR 64 19.584 17.167 3.562 500 1HG2 THR 64 HG21 THR 64 18.392 15.317 5.603 501 2HG2 THR 64 HG22 THR 64 19.158 14.118 4.579 502 3HG2 THR 64 HG23 THR 64 17.403 14.178 4.704 503 H SER 65 HN SER 65 18.058 12.836 1.416 504 HA SER 65 HA SER 65 15.674 11.925 0.674 505 1HB SER 65 HB2 SER 65 17.234 10.218 0.994 506 2HB SER 65 HB1 SER 65 17.573 10.717 2.646 507 HG SER 65 HG1 SER 65 16.289 9.223 3.097 508 H LYS 66 HN LYS 66 13.486 11.991 1.212 509 HA LYS 66 HA LYS 66 12.388 13.356 3.265 510 1HB LYS 66 HB2 LYS 66 10.416 11.904 2.883 511 2HB LYS 66 HB1 LYS 66 11.122 12.429 1.369 512 1HG LYS 66 HG2 LYS 66 12.399 10.167 1.321 513 2HG LYS 66 HG1 LYS 66 11.472 9.727 2.734 514 1HD LYS 66 HD2 LYS 66 9.324 10.087 1.406 515 2HD LYS 66 HD1 LYS 66 10.307 10.397 -0.003 516 1HE LYS 66 HE2 LYS 66 9.586 8.013 0.021 517 2HE LYS 66 HE1 LYS 66 11.336 8.106 0.198 518 1HZ LYS 66 HZ1 LYS 66 9.528 6.961 2.083 519 2HZ LYS 66 HZ2 LYS 66 10.130 8.358 2.750 520 3HZ LYS 66 HZ3 LYS 66 11.153 7.131 2.286 521 H GLU 67 HN GLU 67 13.448 9.969 3.366 522 HA GLU 67 HA GLU 67 12.465 9.728 6.044 523 1HB GLU 67 HB2 GLU 67 13.721 7.983 3.988 524 2HB GLU 67 HB1 GLU 67 13.922 7.488 5.646 525 1HG GLU 67 HG2 GLU 67 11.384 8.022 5.994 526 2HG GLU 67 HG1 GLU 67 11.252 8.298 4.296 527 H ASP 68 HN ASP 68 15.809 10.352 4.844 528 HA ASP 68 HA ASP 68 17.004 9.799 7.359 529 1HB ASP 68 HB2 ASP 68 17.474 11.588 4.958 530 2HB ASP 68 HB1 ASP 68 18.644 11.541 6.242 531 H ALA 69 HN ALA 69 15.413 12.427 5.988 532 HA ALA 69 HA ALA 69 15.512 14.288 8.213 533 1HB ALA 69 HB1 ALA 69 13.737 15.485 6.923 534 2HB ALA 69 HB2 ALA 69 13.466 14.048 5.944 535 3HB ALA 69 HB3 ALA 69 14.986 14.894 5.847 536 H MET 70 HN MET 70 12.710 12.021 7.164 537 HA MET 70 HA MET 70 11.088 12.385 9.288 538 1HB MET 70 HB2 MET 70 11.979 9.907 7.829 539 2HB MET 70 HB1 MET 70 10.768 9.838 8.987 540 1HG MET 70 HG2 MET 70 9.443 11.496 7.678 541 2HG MET 70 HG1 MET 70 10.654 11.556 6.466 542 1HE MET 70 HE1 MET 70 8.177 11.572 5.658 543 2HE MET 70 HE2 MET 70 7.186 10.514 6.693 544 3HE MET 70 HE3 MET 70 7.430 10.143 4.980 545 H LYS 71 HN LYS 71 13.566 10.012 9.086 546 HA LYS 71 HA LYS 71 13.597 8.896 11.623 547 1HB LYS 71 HB2 LYS 71 15.949 9.357 9.719 548 2HB LYS 71 HB1 LYS 71 15.948 8.180 11.005 549 1HG LYS 71 HG2 LYS 71 13.770 8.121 8.887 550 2HG LYS 71 HG1 LYS 71 15.346 7.437 8.588 551 1HD LYS 71 HD2 LYS 71 15.065 5.779 10.293 552 2HD LYS 71 HD1 LYS 71 13.844 6.692 11.136 553 1HE LYS 71 HE2 LYS 71 12.944 4.684 9.900 554 2HE LYS 71 HE1 LYS 71 12.180 6.198 9.449 555 1HZ LYS 71 HZ1 LYS 71 14.384 5.950 7.771 556 2HZ LYS 71 HZ2 LYS 71 12.774 5.730 7.286 557 3HZ LYS 71 HZ3 LYS 71 13.662 4.409 7.765 558 H ALA 72 HN ALA 72 16.065 11.323 10.541 559 HA ALA 72 HA ALA 72 17.132 11.872 12.999 560 1HB ALA 72 HB1 ALA 72 17.848 13.987 11.787 561 2HB ALA 72 HB2 ALA 72 16.645 13.637 10.550 562 3HB ALA 72 HB3 ALA 72 18.001 12.555 10.792 563 H TYR 73 HN TYR 73 14.292 13.252 11.496 564 HA TYR 73 HA TYR 73 13.763 15.296 13.428 565 1HB TYR 73 HB2 TYR 73 12.954 15.244 11.093 566 2HB TYR 73 HB1 TYR 73 12.024 13.811 11.420 567 HD1 TYR 73 HD1 TYR 73 10.118 13.973 13.203 568 HD2 TYR 73 HD2 TYR 73 12.090 17.316 11.466 569 HE1 TYR 73 HE1 TYR 73 8.232 15.440 13.842 570 HE2 TYR 73 HE2 TYR 73 10.264 18.731 12.092 571 HH TYR 73 HH TYR 73 8.173 18.793 12.770 572 H ILE 74 HN ILE 74 12.488 12.080 13.017 573 HA ILE 74 HA ILE 74 10.600 11.930 15.109 574 HB ILE 74 HB ILE 74 12.461 9.811 13.876 575 1HG1 ILE 74 HG12 ILE 74 9.455 10.016 13.676 576 2HG1 ILE 74 HG11 ILE 74 10.440 11.006 12.631 577 1HG2 ILE 74 HG21 ILE 74 11.831 9.138 16.221 578 2HG2 ILE 74 HG22 ILE 74 11.029 8.129 15.059 579 3HG2 ILE 74 HG23 ILE 74 10.144 9.434 15.838 580 1HD1 ILE 74 HD1 ILE 74 11.554 8.945 11.740 581 2HD1 ILE 74 HD2 ILE 74 9.820 8.820 11.528 582 3HD1 ILE 74 HD3 ILE 74 10.598 7.974 12.850 583 H ASP 75 HN ASP 75 13.962 10.947 15.042 584 HA ASP 75 HA ASP 75 14.305 10.424 17.785 585 1HB ASP 75 HB2 ASP 75 16.027 11.215 15.395 586 2HB ASP 75 HB1 ASP 75 16.769 10.901 16.939 587 H LYS 76 HN LYS 76 14.937 13.265 15.933 588 HA LYS 76 HA LYS 76 15.800 15.094 17.889 589 1HB LYS 76 HB2 LYS 76 15.458 15.465 15.350 590 2HB LYS 76 HB1 LYS 76 13.802 15.791 15.716 591 1HG LYS 76 HG2 LYS 76 14.899 17.942 15.578 592 2HG LYS 76 HG1 LYS 76 14.287 17.661 17.167 593 1HD LYS 76 HD2 LYS 76 16.527 18.711 16.974 594 2HD LYS 76 HD1 LYS 76 16.399 17.429 18.153 595 1HE LYS 76 HE2 LYS 76 17.593 15.948 16.492 596 2HE LYS 76 HE1 LYS 76 17.642 17.305 15.370 597 1HZ LYS 76 HZ1 LYS 76 19.452 18.125 16.492 598 2HZ LYS 76 HZ2 LYS 76 19.379 16.855 17.627 599 3HZ LYS 76 HZ3 LYS 76 18.469 18.276 17.838 600 H VAL 77 HN VAL 77 12.390 14.500 17.021 601 HA VAL 77 HA VAL 77 11.363 16.160 19.147 602 HB VAL 77 HB VAL 77 10.136 13.915 17.515 603 1HG1 VAL 77 HG11 VAL 77 8.863 16.019 19.374 604 2HG1 VAL 77 HG12 VAL 77 8.863 14.286 19.648 605 3HG1 VAL 77 HG13 VAL 77 7.936 14.967 18.323 606 1HG2 VAL 77 HG21 VAL 77 9.077 15.809 16.250 607 2HG2 VAL 77 HG22 VAL 77 10.826 15.938 16.209 608 3HG2 VAL 77 HG23 VAL 77 9.882 16.976 17.281 609 H GLU 78 HN GLU 78 11.672 12.584 18.815 610 HA GLU 78 HA GLU 78 10.773 11.634 21.222 611 1HB GLU 78 HB2 GLU 78 13.378 10.971 19.763 612 2HB GLU 78 HB1 GLU 78 12.844 10.053 21.128 613 1HG GLU 78 HG2 GLU 78 10.874 10.425 18.838 614 2HG GLU 78 HG1 GLU 78 12.182 9.297 18.611 615 H GLU 79 HN GLU 79 13.954 13.060 20.642 616 HA GLU 79 HA GLU 79 14.683 13.157 23.439 617 1HB GLU 79 HB2 GLU 79 15.782 14.400 20.869 618 2HB GLU 79 HB1 GLU 79 16.646 14.494 22.390 619 1HG GLU 79 HG2 GLU 79 15.858 11.856 20.984 620 2HG GLU 79 HG1 GLU 79 17.474 12.526 21.010 621 H LEU 80 HN LEU 80 13.756 15.937 21.180 622 HA LEU 80 HA LEU 80 13.645 17.820 23.332 623 1HB LEU 80 HB2 LEU 80 11.842 17.546 20.858 624 2HB LEU 80 HB1 LEU 80 11.574 18.834 22.013 625 HG LEU 80 HG LEU 80 14.066 18.481 20.325 626 1HD1 LEU 80 HD11 LEU 80 11.807 20.544 20.410 627 2HD1 LEU 80 HD12 LEU 80 11.974 19.299 19.172 628 3HD1 LEU 80 HD13 LEU 80 13.178 20.570 19.312 629 1HD2 LEU 80 HD21 LEU 80 13.239 20.716 22.260 630 2HD2 LEU 80 HD22 LEU 80 14.661 20.679 21.248 631 3HD2 LEU 80 HD23 LEU 80 14.540 19.573 22.598 632 H LYS 81 HN LYS 81 11.486 15.313 22.698 633 HA LYS 81 HA LYS 81 9.402 16.340 24.472 634 1HB LYS 81 HB2 LYS 81 8.949 14.894 22.650 635 2HB LYS 81 HB1 LYS 81 9.887 13.552 23.292 636 1HG LYS 81 HG2 LYS 81 8.338 13.629 25.350 637 2HG LYS 81 HG1 LYS 81 7.387 14.847 24.563 638 1HD LYS 81 HD2 LYS 81 7.854 11.952 23.649 639 2HD LYS 81 HD1 LYS 81 6.363 12.583 24.298 640 1HE LYS 81 HE2 LYS 81 7.595 13.403 21.618 641 2HE LYS 81 HE1 LYS 81 6.227 12.319 21.847 642 1HZ LYS 81 HZ1 LYS 81 5.760 14.582 23.391 643 2HZ LYS 81 HZ2 LYS 81 4.886 14.039 22.076 644 3HZ LYS 81 HZ3 LYS 81 6.134 15.171 21.827 645 H LYS 82 HN LYS 82 11.973 13.944 24.700 646 HA LYS 82 HA LYS 82 11.357 13.333 27.520 647 1HB LYS 82 HB2 LYS 82 13.939 13.052 25.901 648 2HB LYS 82 HB1 LYS 82 13.804 12.491 27.566 649 1HG LYS 82 HG2 LYS 82 11.784 11.117 26.741 650 2HG LYS 82 HG1 LYS 82 12.240 11.558 25.110 651 1HD LYS 82 HD2 LYS 82 14.519 10.620 25.421 652 2HD LYS 82 HD1 LYS 82 14.134 10.124 27.052 653 1HE LYS 82 HE2 LYS 82 12.756 9.147 24.531 654 2HE LYS 82 HE1 LYS 82 13.985 8.238 25.403 655 1HZ LYS 82 HZ1 LYS 82 11.969 9.195 27.169 656 2HZ LYS 82 HZ2 LYS 82 12.407 7.559 26.930 657 3HZ LYS 82 HZ3 LYS 82 11.248 8.302 25.915 658 H LYS 83 HN LYS 83 13.419 15.551 25.921 659 HA LYS 83 HA LYS 83 14.739 16.805 28.090 660 1HB LYS 83 HB2 LYS 83 15.163 16.887 25.581 661 2HB LYS 83 HB1 LYS 83 13.976 18.142 25.501 662 1HG LYS 83 HG2 LYS 83 15.161 19.602 27.062 663 2HG LYS 83 HG1 LYS 83 16.402 18.407 27.319 664 1HD LYS 83 HD2 LYS 83 15.700 19.779 24.653 665 2HD LYS 83 HD1 LYS 83 17.093 20.181 25.612 666 1HE LYS 83 HE2 LYS 83 16.579 17.502 24.250 667 2HE LYS 83 HE1 LYS 83 17.735 18.713 23.735 668 1HZ LYS 83 HZ1 LYS 83 19.225 17.891 25.224 669 2HZ LYS 83 HZ2 LYS 83 18.079 16.724 25.717 670 3HZ LYS 83 HZ3 LYS 83 18.125 18.238 26.473 671 H TYR 84 HN TYR 84 12.026 17.881 26.346 672 HA TYR 84 HA TYR 84 11.437 19.983 28.362 673 1HB TYR 84 HB2 TYR 84 10.649 19.579 25.485 674 2HB TYR 84 HB1 TYR 84 9.805 20.731 26.491 675 HD1 TYR 84 HD1 TYR 84 11.483 22.159 28.036 676 HD2 TYR 84 HD2 TYR 84 12.422 20.462 24.254 677 HE1 TYR 84 HE1 TYR 84 13.242 23.823 27.730 678 HE2 TYR 84 HE2 TYR 84 14.196 22.151 23.955 679 HH TYR 84 HH TYR 84 14.530 24.769 26.274 680 H GLY 85 HN GLY 85 9.810 17.117 27.175 681 1HA GLY 85 HA2 GLY 85 8.041 16.123 28.530 682 2HA GLY 85 HA1 GLY 85 7.715 17.685 29.235 683 H ILE 86 HN ILE 86 5.931 16.150 28.730 684 HA ILE 86 HA ILE 86 4.249 17.276 26.480 685 HB ILE 86 HB ILE 86 5.126 14.834 26.278 686 1HG1 ILE 86 HG12 ILE 86 3.323 15.538 24.806 687 2HG1 ILE 86 HG11 ILE 86 3.086 13.878 25.300 688 1HG2 ILE 86 HG21 ILE 86 3.051 14.349 28.421 689 2HG2 ILE 86 HG22 ILE 86 4.774 14.134 28.597 690 3HG2 ILE 86 HG23 ILE 86 3.865 13.070 27.538 691 1HD1 ILE 86 HD1 ILE 86 1.562 16.321 26.273 692 2HD1 ILE 86 HD2 ILE 86 1.382 14.740 27.012 693 3HD1 ILE 86 HD3 ILE 86 0.940 14.996 25.330 Start of MODEL 14 1 1H SER 1 HT1 SER 1 9.967 6.717 7.582 2 2H SER 1 HT2 SER 1 10.500 5.146 7.258 3 3H SER 1 HT3 SER 1 10.730 5.839 8.798 4 HA SER 1 HA SER 1 8.437 4.441 7.926 5 1HB SER 1 HB2 SER 1 8.081 5.047 10.581 6 2HB SER 1 HB1 SER 1 9.345 3.915 10.104 7 HG SER 1 HG1 SER 1 9.963 5.699 11.406 8 H GLN 2 HN GLN 2 6.223 5.444 8.994 9 HA GLN 2 HA GLN 2 6.089 8.333 8.150 10 1HB GLN 2 HB2 GLN 2 5.168 6.952 6.369 11 2HB GLN 2 HB1 GLN 2 4.091 6.134 7.480 12 1HG GLN 2 HG2 GLN 2 2.810 7.882 6.309 13 2HG GLN 2 HG1 GLN 2 2.964 8.441 7.944 14 1HE2 GLN 2 HE21 GLN 2 3.651 10.697 8.030 15 2HE2 GLN 2 HE22 GLN 2 4.480 11.401 6.711 16 H ALA 3 HN ALA 3 3.860 5.961 9.683 17 HA ALA 3 HA ALA 3 2.289 7.657 11.127 18 1HB ALA 3 HB1 ALA 3 3.524 4.979 12.072 19 2HB ALA 3 HB2 ALA 3 2.091 5.155 11.070 20 3HB ALA 3 HB3 ALA 3 2.061 5.687 12.735 21 H GLU 4 HN GLU 4 5.350 6.340 12.261 22 HA GLU 4 HA GLU 4 5.640 7.671 14.690 23 1HB GLU 4 HB2 GLU 4 7.917 7.389 12.782 24 2HB GLU 4 HB1 GLU 4 8.037 7.509 14.510 25 1HG GLU 4 HG2 GLU 4 7.107 5.280 14.851 26 2HG GLU 4 HG1 GLU 4 6.943 5.019 13.117 27 H PHE 5 HN PHE 5 6.098 8.963 11.591 28 HA PHE 5 HA PHE 5 7.500 11.374 12.616 29 1HB PHE 5 HB2 PHE 5 8.066 10.562 10.355 30 2HB PHE 5 HB1 PHE 5 6.359 10.670 9.927 31 HD1 PHE 5 HD1 PHE 5 5.352 12.749 9.286 32 HD2 PHE 5 HD2 PHE 5 9.345 12.760 10.774 33 HE1 PHE 5 HE1 PHE 5 5.607 15.028 8.595 34 HE2 PHE 5 HE2 PHE 5 9.614 15.077 10.048 35 HZ PHE 5 HZ PHE 5 7.736 16.231 8.930 36 H ASP 6 HN ASP 6 4.266 10.709 11.061 37 HA ASP 6 HA ASP 6 3.202 13.275 11.496 38 1HB ASP 6 HB2 ASP 6 1.900 10.505 11.725 39 2HB ASP 6 HB1 ASP 6 1.117 12.028 11.315 40 H LYS 7 HN LYS 7 3.411 10.438 13.587 41 HA LYS 7 HA LYS 7 2.312 11.465 15.946 42 1HB LYS 7 HB2 LYS 7 2.943 9.089 15.566 43 2HB LYS 7 HB1 LYS 7 4.629 9.534 15.451 44 1HG LYS 7 HG2 LYS 7 4.297 10.474 17.908 45 2HG LYS 7 HG1 LYS 7 2.853 9.496 17.914 46 1HD LYS 7 HD2 LYS 7 4.180 7.461 17.315 47 2HD LYS 7 HD1 LYS 7 5.644 8.413 17.223 48 1HE LYS 7 HE2 LYS 7 4.014 8.132 19.775 49 2HE LYS 7 HE1 LYS 7 5.409 7.137 19.397 50 1HZ LYS 7 HZ1 LYS 7 6.770 8.821 20.037 51 2HZ LYS 7 HZ2 LYS 7 5.402 9.792 20.438 52 3HZ LYS 7 HZ3 LYS 7 6.056 9.872 18.931 53 H ALA 8 HN ALA 8 5.860 11.533 14.926 54 HA ALA 8 HA ALA 8 6.604 13.121 17.164 55 1HB ALA 8 HB1 ALA 8 7.772 12.962 14.343 56 2HB ALA 8 HB2 ALA 8 8.143 11.892 15.680 57 3HB ALA 8 HB3 ALA 8 8.661 13.554 15.743 58 H ALA 9 HN ALA 9 5.770 14.135 14.064 59 HA ALA 9 HA ALA 9 6.042 17.014 14.244 60 1HB ALA 9 HB1 ALA 9 5.752 15.811 12.093 61 2HB ALA 9 HB2 ALA 9 4.568 17.106 12.271 62 3HB ALA 9 HB3 ALA 9 4.093 15.432 12.539 63 H GLU 10 HN GLU 10 3.081 14.992 14.865 64 HA GLU 10 HA GLU 10 1.587 17.316 15.579 65 1HB GLU 10 HB2 GLU 10 1.236 14.284 15.840 66 2HB GLU 10 HB1 GLU 10 0.009 15.398 16.412 67 1HG GLU 10 HG2 GLU 10 0.973 15.215 13.510 68 2HG GLU 10 HG1 GLU 10 -0.550 14.599 14.101 69 H GLU 11 HN GLU 11 3.462 14.735 17.374 70 HA GLU 11 HA GLU 11 2.711 15.530 19.926 71 1HB GLU 11 HB2 GLU 11 5.146 14.285 18.613 72 2HB GLU 11 HB1 GLU 11 5.346 14.807 20.239 73 1HG GLU 11 HG2 GLU 11 3.497 13.300 20.989 74 2HG GLU 11 HG1 GLU 11 3.185 12.812 19.329 75 H VAL 12 HN VAL 12 5.409 16.829 17.987 76 HA VAL 12 HA VAL 12 6.156 18.809 19.973 77 HB VAL 12 HB VAL 12 7.107 17.933 17.529 78 1HG1 VAL 12 HG11 VAL 12 7.372 19.905 16.004 79 2HG1 VAL 12 HG12 VAL 12 6.251 20.806 16.993 80 3HG1 VAL 12 HG13 VAL 12 5.703 19.387 16.112 81 1HG2 VAL 12 HG21 VAL 12 7.942 20.489 18.921 82 2HG2 VAL 12 HG22 VAL 12 8.929 19.606 17.771 83 3HG2 VAL 12 HG23 VAL 12 8.518 18.866 19.305 84 H LYS 13 HN LYS 13 3.991 19.011 17.150 85 HA LYS 13 HA LYS 13 3.100 21.593 17.439 86 1HB LYS 13 HB2 LYS 13 2.294 19.310 16.035 87 2HB LYS 13 HB1 LYS 13 0.906 19.607 17.049 88 1HG LYS 13 HG2 LYS 13 0.919 21.993 16.258 89 2HG LYS 13 HG1 LYS 13 2.354 21.575 15.312 90 1HD LYS 13 HD2 LYS 13 0.499 21.408 13.749 91 2HD LYS 13 HD1 LYS 13 0.984 19.778 14.156 92 1HE LYS 13 HE2 LYS 13 -0.913 19.958 16.014 93 2HE LYS 13 HE1 LYS 13 -1.479 21.331 15.077 94 1HZ LYS 13 HZ1 LYS 13 -0.849 19.081 13.410 95 2HZ LYS 13 HZ2 LYS 13 -2.375 19.855 13.547 96 3HZ LYS 13 HZ3 LYS 13 -1.867 18.594 14.562 97 H HIS 14 HN HIS 14 2.669 19.191 19.718 98 HA HIS 14 HA HIS 14 0.734 20.918 21.233 99 1HB HIS 14 HB2 HIS 14 0.894 17.880 21.336 100 2HB HIS 14 HB1 HIS 14 -0.230 18.877 22.249 101 HD1 HIS 14 HD1 HIS 14 0.548 17.880 18.821 102 HD2 HIS 14 HD2 HIS 14 -2.473 19.777 20.764 103 HE1 HIS 14 HE1 HIS 14 -1.317 18.068 17.178 104 H LEU 15 HN LEU 15 3.820 20.807 21.481 105 HA LEU 15 HA LEU 15 4.097 19.660 24.205 106 1HB LEU 15 HB2 LEU 15 5.904 21.607 22.653 107 2HB LEU 15 HB1 LEU 15 6.313 20.924 24.205 108 HG LEU 15 HG LEU 15 5.714 19.195 21.803 109 1HD1 LEU 15 HD11 LEU 15 7.738 20.645 21.421 110 2HD1 LEU 15 HD12 LEU 15 8.247 18.992 21.741 111 3HD1 LEU 15 HD13 LEU 15 8.341 20.198 23.014 112 1HD2 LEU 15 HD21 LEU 15 7.077 18.687 24.468 113 2HD2 LEU 15 HD22 LEU 15 6.925 17.528 23.142 114 3HD2 LEU 15 HD23 LEU 15 5.499 18.073 23.994 115 H LYS 16 HN LYS 16 4.474 21.181 26.143 116 HA LYS 16 HA LYS 16 2.738 23.565 25.700 117 1HB LYS 16 HB2 LYS 16 2.641 21.650 27.711 118 2HB LYS 16 HB1 LYS 16 3.689 22.794 28.487 119 1HG LYS 16 HG2 LYS 16 0.990 23.554 27.397 120 2HG LYS 16 HG1 LYS 16 1.240 23.029 29.035 121 1HD LYS 16 HD2 LYS 16 2.433 25.565 27.782 122 2HD LYS 16 HD1 LYS 16 1.090 25.493 28.867 123 1HE LYS 16 HE2 LYS 16 2.796 26.105 30.333 124 2HE LYS 16 HE1 LYS 16 2.705 24.370 30.570 125 1HZ LYS 16 HZ1 LYS 16 4.947 25.879 29.686 126 2HZ LYS 16 HZ2 LYS 16 4.526 24.834 28.465 127 3HZ LYS 16 HZ3 LYS 16 4.887 24.214 29.957 128 H THR 17 HN THR 17 6.086 22.886 25.659 129 HA THR 17 HA THR 17 6.484 25.741 26.464 130 HB THR 17 HB THR 17 8.521 23.509 26.736 131 HG1 THR 17 HG1 THR 17 6.798 23.180 28.077 132 1HG2 THR 17 HG21 THR 17 9.589 25.064 28.254 133 2HG2 THR 17 HG22 THR 17 8.313 26.261 28.047 134 3HG2 THR 17 HG23 THR 17 9.441 25.892 26.731 135 H LYS 18 HN LYS 18 8.310 26.657 25.364 136 HA LYS 18 HA LYS 18 8.260 25.769 22.537 137 1HB LYS 18 HB2 LYS 18 8.977 28.476 23.719 138 2HB LYS 18 HB1 LYS 18 9.028 28.090 22.011 139 1HG LYS 18 HG2 LYS 18 6.486 27.295 22.471 140 2HG LYS 18 HG1 LYS 18 6.590 28.386 23.821 141 1HD LYS 18 HD2 LYS 18 7.028 29.023 20.841 142 2HD LYS 18 HD1 LYS 18 5.680 29.560 21.800 143 1HE LYS 18 HE2 LYS 18 8.563 30.438 22.258 144 2HE LYS 18 HE1 LYS 18 7.381 31.361 21.351 145 1HZ LYS 18 HZ1 LYS 18 6.597 32.191 23.305 146 2HZ LYS 18 HZ2 LYS 18 7.715 31.213 24.161 147 3HZ LYS 18 HZ3 LYS 18 6.202 30.598 23.769 148 HA PRO 19 HA PRO 19 12.594 24.795 23.139 149 1HB PRO 19 HB2 PRO 19 13.097 23.531 20.853 150 2HB PRO 19 HB1 PRO 19 11.760 22.941 21.846 151 1HG PRO 19 HG2 PRO 19 11.495 25.001 19.599 152 2HG PRO 19 HG1 PRO 19 10.749 23.402 19.633 153 1HD PRO 19 HD2 PRO 19 9.404 25.585 20.636 154 2HD PRO 19 HD1 PRO 19 9.269 24.044 21.532 155 H ALA 20 HN ALA 20 14.531 25.214 21.405 156 HA ALA 20 HA ALA 20 14.489 28.202 20.975 157 1HB ALA 20 HB1 ALA 20 16.797 26.258 21.138 158 2HB ALA 20 HB2 ALA 20 16.220 27.303 22.422 159 3HB ALA 20 HB3 ALA 20 16.994 27.991 21.000 160 H ASP 21 HN ASP 21 16.007 29.160 19.225 161 HA ASP 21 HA ASP 21 14.926 28.949 16.752 162 1HB ASP 21 HB2 ASP 21 17.222 29.899 16.022 163 2HB ASP 21 HB1 ASP 21 16.400 30.732 17.326 164 H GLU 22 HN GLU 22 18.158 27.437 17.161 165 HA GLU 22 HA GLU 22 17.884 25.861 14.801 166 1HB GLU 22 HB2 GLU 22 19.508 25.394 17.354 167 2HB GLU 22 HB1 GLU 22 19.539 24.189 16.076 168 1HG GLU 22 HG2 GLU 22 20.103 26.167 14.437 169 2HG GLU 22 HG1 GLU 22 20.368 27.138 15.865 170 H GLU 23 HN GLU 23 16.266 25.256 17.859 171 HA GLU 23 HA GLU 23 15.611 22.472 17.245 172 1HB GLU 23 HB2 GLU 23 14.220 24.510 19.078 173 2HB GLU 23 HB1 GLU 23 13.695 22.859 18.931 174 1HG GLU 23 HG2 GLU 23 15.339 23.580 20.922 175 2HG GLU 23 HG1 GLU 23 15.504 22.013 20.183 176 H MET 24 HN MET 24 13.863 25.463 17.093 177 HA MET 24 HA MET 24 11.573 24.444 15.578 178 1HB MET 24 HB2 MET 24 10.952 26.835 15.133 179 2HB MET 24 HB1 MET 24 11.348 26.557 16.801 180 1HG MET 24 HG2 MET 24 13.388 27.636 16.657 181 2HG MET 24 HG1 MET 24 13.456 27.603 14.924 182 1HE MET 24 HE1 MET 24 13.260 29.857 13.598 183 2HE MET 24 HE2 MET 24 14.405 29.828 14.956 184 3HE MET 24 HE3 MET 24 13.369 31.214 14.713 185 H LEU 25 HN LEU 25 14.552 26.002 14.472 186 HA LEU 25 HA LEU 25 13.874 26.042 11.690 187 1HB LEU 25 HB2 LEU 25 16.326 26.386 13.452 188 2HB LEU 25 HB1 LEU 25 16.510 26.428 11.730 189 HG LEU 25 HG LEU 25 14.474 28.189 13.181 190 1HD1 LEU 25 HD11 LEU 25 16.159 29.965 13.061 191 2HD1 LEU 25 HD12 LEU 25 17.317 28.866 12.329 192 3HD1 LEU 25 HD13 LEU 25 16.808 28.625 13.987 193 1HD2 LEU 25 HD21 LEU 25 14.162 27.855 10.746 194 2HD2 LEU 25 HD22 LEU 25 15.792 28.431 10.460 195 3HD2 LEU 25 HD23 LEU 25 14.582 29.515 11.134 196 H PHE 26 HN PHE 26 15.895 23.872 13.717 197 HA PHE 26 HA PHE 26 16.577 22.017 11.639 198 1HB PHE 26 HB2 PHE 26 17.492 21.856 13.965 199 2HB PHE 26 HB1 PHE 26 15.914 21.416 14.584 200 HD1 PHE 26 HD1 PHE 26 18.882 20.262 12.829 201 HD2 PHE 26 HD2 PHE 26 14.903 19.198 13.922 202 HE1 PHE 26 HE1 PHE 26 19.362 17.909 12.314 203 HE2 PHE 26 HE2 PHE 26 15.377 16.864 13.396 204 HZ PHE 26 HZ PHE 26 17.616 16.213 12.608 205 H ILE 27 HN ILE 27 13.870 21.917 13.987 206 HA ILE 27 HA ILE 27 12.370 19.821 12.788 207 HB ILE 27 HB ILE 27 11.703 22.327 14.320 208 1HG1 ILE 27 HG12 ILE 27 12.839 20.835 15.804 209 2HG1 ILE 27 HG11 ILE 27 11.147 20.681 16.203 210 1HG2 ILE 27 HG21 ILE 27 9.636 20.188 13.717 211 2HG2 ILE 27 HG22 ILE 27 9.578 21.835 13.144 212 3HG2 ILE 27 HG23 ILE 27 9.423 21.487 14.843 213 1HD1 ILE 27 HD1 ILE 27 12.710 18.738 14.419 214 2HD1 ILE 27 HD2 ILE 27 11.033 18.554 14.916 215 3HD1 ILE 27 HD3 ILE 27 12.329 18.481 16.108 216 H TYR 28 HN TYR 28 11.187 23.041 12.526 217 HA TYR 28 HA TYR 28 9.672 23.080 10.289 218 1HB TYR 28 HB2 TYR 28 10.438 25.223 11.328 219 2HB TYR 28 HB1 TYR 28 11.963 25.071 10.461 220 HD1 TYR 28 HD1 TYR 28 8.252 25.174 9.958 221 HD2 TYR 28 HD2 TYR 28 12.079 25.751 8.127 222 HE1 TYR 28 HE1 TYR 28 7.181 26.061 7.917 223 HE2 TYR 28 HE2 TYR 28 10.982 26.614 6.145 224 HH TYR 28 HH TYR 28 8.913 27.647 5.559 225 H SER 29 HN SER 29 13.362 23.263 9.630 226 HA SER 29 HA SER 29 13.110 23.034 6.905 227 1HB SER 29 HB2 SER 29 15.580 22.546 7.195 228 2HB SER 29 HB1 SER 29 15.095 23.781 8.339 229 HG SER 29 HG1 SER 29 14.952 22.288 9.911 230 H HIS 30 HN HIS 30 13.748 20.553 9.307 231 HA HIS 30 HA HIS 30 13.757 18.393 7.406 232 1HB HIS 30 HB2 HIS 30 13.522 18.514 10.470 233 2HB HIS 30 HB1 HIS 30 13.636 16.982 9.608 234 HD1 HIS 30 HD1 HIS 30 15.598 20.204 9.695 235 HD2 HIS 30 HD2 HIS 30 16.219 16.178 9.279 236 HE1 HIS 30 HE1 HIS 30 18.060 19.869 9.562 237 H TYR 31 HN TYR 31 11.131 19.811 9.338 238 HA TYR 31 HA TYR 31 9.256 17.665 8.792 239 1HB TYR 31 HB2 TYR 31 8.671 19.454 10.536 240 2HB TYR 31 HB1 TYR 31 8.590 20.663 9.279 241 HD1 TYR 31 HD1 TYR 31 6.653 20.696 7.752 242 HD2 TYR 31 HD2 TYR 31 7.027 17.577 10.631 243 HE1 TYR 31 HE1 TYR 31 4.336 19.949 7.285 244 HE2 TYR 31 HE2 TYR 31 4.721 16.852 10.128 245 HH TYR 31 HH TYR 31 2.683 17.687 9.215 246 H LYS 32 HN LYS 32 10.214 20.673 7.214 247 HA LYS 32 HA LYS 32 8.353 20.343 4.967 248 1HB LYS 32 HB2 LYS 32 10.975 21.951 5.069 249 2HB LYS 32 HB1 LYS 32 9.761 22.042 3.832 250 1HG LYS 32 HG2 LYS 32 9.372 22.984 6.691 251 2HG LYS 32 HG1 LYS 32 9.568 23.978 5.289 252 1HD LYS 32 HD2 LYS 32 7.231 22.128 5.919 253 2HD LYS 32 HD1 LYS 32 7.212 23.873 5.974 254 1HE LYS 32 HE2 LYS 32 7.528 24.001 3.545 255 2HE LYS 32 HE1 LYS 32 7.616 22.249 3.422 256 1HZ LYS 32 HZ1 LYS 32 5.267 23.784 3.427 257 2HZ LYS 32 HZ2 LYS 32 5.323 23.043 4.938 258 3HZ LYS 32 HZ3 LYS 32 5.424 22.071 3.557 259 H GLN 33 HN GLN 33 11.958 19.591 5.054 260 HA GLN 33 HA GLN 33 11.909 18.199 2.499 261 1HB GLN 33 HB2 GLN 33 14.053 18.700 3.732 262 2HB GLN 33 HB1 GLN 33 13.649 17.433 4.879 263 1HG GLN 33 HG2 GLN 33 15.182 16.487 3.172 264 2HG GLN 33 HG1 GLN 33 13.622 15.777 2.852 265 1HE2 GLN 33 HE21 GLN 33 13.572 15.595 0.496 266 2HE2 GLN 33 HE22 GLN 33 13.985 16.925 -0.507 267 H ALA 34 HN ALA 34 11.219 16.915 5.719 268 HA ALA 34 HA ALA 34 10.827 14.208 4.922 269 1HB ALA 34 HB1 ALA 34 11.194 14.923 7.293 270 2HB ALA 34 HB2 ALA 34 9.694 14.018 7.161 271 3HB ALA 34 HB3 ALA 34 9.669 15.762 7.282 272 H THR 35 HN THR 35 8.367 16.828 5.164 273 HA THR 35 HA THR 35 6.374 14.832 4.125 274 HB THR 35 HB THR 35 4.590 16.521 4.669 275 HG1 THR 35 HG1 THR 35 6.801 17.994 5.680 276 1HG2 THR 35 HG21 THR 35 4.923 16.635 7.055 277 2HG2 THR 35 HG22 THR 35 6.657 16.352 6.914 278 3HG2 THR 35 HG23 THR 35 5.508 15.069 6.535 279 H VAL 36 HN VAL 36 7.696 17.812 3.233 280 HA VAL 36 HA VAL 36 6.123 17.834 0.674 281 HB VAL 36 HB VAL 36 7.831 19.953 2.064 282 1HG1 VAL 36 HG11 VAL 36 7.258 21.487 0.105 283 2HG1 VAL 36 HG12 VAL 36 6.542 20.100 -0.711 284 3HG1 VAL 36 HG13 VAL 36 8.265 20.147 -0.389 285 1HG2 VAL 36 HG21 VAL 36 5.662 21.232 1.971 286 2HG2 VAL 36 HG22 VAL 36 5.509 19.707 2.867 287 3HG2 VAL 36 HG23 VAL 36 4.908 19.847 1.222 288 H GLY 37 HN GLY 37 9.348 18.125 1.777 289 1HA GLY 37 HA2 GLY 37 11.215 16.796 0.742 290 2HA GLY 37 HA1 GLY 37 10.468 17.099 -0.828 291 H ASP 38 HN ASP 38 12.004 18.284 -1.861 292 HA ASP 38 HA ASP 38 13.726 20.110 -0.765 293 1HB ASP 38 HB2 ASP 38 12.466 19.739 -3.526 294 2HB ASP 38 HB1 ASP 38 13.807 20.808 -3.236 295 H ILE 39 HN ILE 39 13.818 22.454 -1.415 296 HA ILE 39 HA ILE 39 11.428 23.847 -0.336 297 HB ILE 39 HB ILE 39 13.765 24.079 0.521 298 1HG1 ILE 39 HG12 ILE 39 12.416 26.574 -0.538 299 2HG1 ILE 39 HG11 ILE 39 11.773 25.593 0.718 300 1HG2 ILE 39 HG21 ILE 39 14.253 25.544 -2.130 301 2HG2 ILE 39 HG22 ILE 39 15.102 24.099 -1.596 302 3HG2 ILE 39 HG23 ILE 39 15.313 25.620 -0.762 303 1HD1 ILE 39 HD1 ILE 39 14.539 26.901 0.753 304 2HD1 ILE 39 HD2 ILE 39 13.942 25.829 1.998 305 3HD1 ILE 39 HD3 ILE 39 13.196 27.376 1.767 306 H ASN 40 HN ASN 40 9.937 24.292 -1.801 307 HA ASN 40 HA ASN 40 10.801 24.926 -4.603 308 1HB ASN 40 HB2 ASN 40 8.279 23.532 -3.522 309 2HB ASN 40 HB1 ASN 40 8.504 24.015 -5.195 310 1HD2 ASN 40 HD21 ASN 40 9.054 21.478 -2.981 311 2HD2 ASN 40 HD22 ASN 40 10.097 20.586 -3.976 312 H THR 41 HN THR 41 10.515 26.345 -2.116 313 HA THR 41 HA THR 41 8.726 28.606 -2.883 314 HB THR 41 HB THR 41 8.453 29.078 -0.396 315 HG1 THR 41 HG1 THR 41 9.642 27.408 0.889 316 1HG2 THR 41 HG21 THR 41 7.134 26.919 -1.158 317 2HG2 THR 41 HG22 THR 41 7.534 26.963 0.547 318 3HG2 THR 41 HG23 THR 41 8.492 25.992 -0.560 319 H GLU 42 HN GLU 42 9.798 30.790 -2.317 320 HA GLU 42 HA GLU 42 12.762 30.556 -2.024 321 1HB GLU 42 HB2 GLU 42 11.160 32.190 -3.699 322 2HB GLU 42 HB1 GLU 42 12.874 32.500 -3.384 323 1HG GLU 42 HG2 GLU 42 13.268 30.072 -4.415 324 2HG GLU 42 HG1 GLU 42 11.651 30.230 -5.076 325 H ARG 43 HN ARG 43 13.120 31.483 -0.119 326 HA ARG 43 HA ARG 43 11.738 33.919 0.557 327 1HB ARG 43 HB2 ARG 43 12.946 31.772 1.617 328 2HB ARG 43 HB1 ARG 43 13.405 32.955 2.637 329 1HG ARG 43 HG2 ARG 43 11.947 33.717 3.272 330 2HG ARG 43 HG1 ARG 43 11.481 31.934 2.697 331 1HD ARG 43 HD2 ARG 43 10.613 31.463 4.218 332 2HD ARG 43 HD1 ARG 43 11.948 32.465 4.741 333 HE ARG 43 HE ARG 43 9.775 33.307 5.770 334 1HH1 ARG 43 HH11 ARG 43 10.940 35.435 4.098 335 2HH1 ARG 43 HH12 ARG 43 9.532 36.080 3.348 336 1HH2 ARG 43 HH21 ARG 43 7.724 33.170 4.180 337 2HH2 ARG 43 HH22 ARG 43 7.588 34.720 3.411 338 HA PRO 44 HA PRO 44 15.658 36.174 1.713 339 1HB PRO 44 HB2 PRO 44 17.933 34.694 0.495 340 2HB PRO 44 HB1 PRO 44 17.584 35.118 2.187 341 1HG PRO 44 HG2 PRO 44 17.391 32.474 1.259 342 2HG PRO 44 HG1 PRO 44 16.551 33.101 2.673 343 1HD PRO 44 HD2 PRO 44 15.093 32.634 -0.023 344 2HD PRO 44 HD1 PRO 44 14.775 32.563 1.656 345 H GLY 45 HN GLY 45 17.654 37.210 0.119 346 1HA GLY 45 HA2 GLY 45 18.118 38.164 -2.028 347 2HA GLY 45 HA1 GLY 45 16.758 37.274 -2.689 348 H MET 46 HN MET 46 14.575 38.084 -1.914 349 HA MET 46 HA MET 46 14.484 41.004 -2.402 350 1HB MET 46 HB2 MET 46 11.880 39.475 -2.030 351 2HB MET 46 HB1 MET 46 12.342 40.603 -3.276 352 1HG MET 46 HG2 MET 46 13.823 38.789 -4.282 353 2HG MET 46 HG1 MET 46 13.106 37.670 -3.163 354 1HE MET 46 HE1 MET 46 10.824 37.124 -2.912 355 2HE MET 46 HE2 MET 46 9.988 36.546 -4.336 356 3HE MET 46 HE3 MET 46 9.570 38.127 -3.646 357 H LEU 47 HN LEU 47 11.901 41.417 -0.988 358 HA LEU 47 HA LEU 47 12.927 42.391 1.482 359 1HB LEU 47 HB2 LEU 47 10.968 43.229 0.035 360 2HB LEU 47 HB1 LEU 47 10.022 41.917 0.703 361 HG LEU 47 HG LEU 47 10.336 42.864 3.004 362 1HD1 LEU 47 HD11 LEU 47 11.591 45.205 1.476 363 2HD1 LEU 47 HD12 LEU 47 12.475 44.158 2.574 364 3HD1 LEU 47 HD13 LEU 47 11.205 45.202 3.184 365 1HD2 LEU 47 HD21 LEU 47 9.241 44.815 0.925 366 2HD2 LEU 47 HD22 LEU 47 8.830 44.809 2.635 367 3HD2 LEU 47 HD23 LEU 47 8.357 43.458 1.615 368 H ASP 48 HN ASP 48 13.815 40.215 2.090 369 HA ASP 48 HA ASP 48 11.977 38.714 3.982 370 1HB ASP 48 HB2 ASP 48 12.781 37.274 2.241 371 2HB ASP 48 HB1 ASP 48 14.449 37.763 2.473 372 H PHE 49 HN PHE 49 13.032 37.864 6.116 373 HA PHE 49 HA PHE 49 15.503 39.034 6.990 374 1HB PHE 49 HB2 PHE 49 12.938 40.084 8.430 375 2HB PHE 49 HB1 PHE 49 14.578 40.465 8.813 376 HD1 PHE 49 HD1 PHE 49 12.057 40.840 6.095 377 HD2 PHE 49 HD2 PHE 49 15.435 42.539 8.052 378 HE1 PHE 49 HE1 PHE 49 11.774 42.900 4.790 379 HE2 PHE 49 HE2 PHE 49 15.154 44.606 6.744 380 HZ PHE 49 HZ PHE 49 13.325 44.793 5.118 381 H LYS 50 HN LYS 50 12.519 38.394 8.459 382 HA LYS 50 HA LYS 50 13.577 36.256 10.246 383 1HB LYS 50 HB2 LYS 50 10.871 37.691 10.164 384 2HB LYS 50 HB1 LYS 50 11.280 36.435 11.325 385 1HG LYS 50 HG2 LYS 50 13.137 37.794 12.227 386 2HG LYS 50 HG1 LYS 50 12.980 38.963 10.941 387 1HD LYS 50 HD2 LYS 50 11.899 39.931 12.908 388 2HD LYS 50 HD1 LYS 50 10.659 39.538 11.752 389 1HE LYS 50 HE2 LYS 50 9.893 38.857 13.942 390 2HE LYS 50 HE1 LYS 50 10.202 37.398 13.013 391 1HZ LYS 50 HZ1 LYS 50 12.599 38.241 14.250 392 2HZ LYS 50 HZ2 LYS 50 11.753 36.800 14.549 393 3HZ LYS 50 HZ3 LYS 50 11.409 38.195 15.450 394 H GLY 51 HN GLY 51 13.253 35.856 7.492 395 1HA GLY 51 HA2 GLY 51 11.549 33.384 7.365 396 2HA GLY 51 HA1 GLY 51 11.791 34.460 5.958 397 H LYS 52 HN LYS 52 14.033 35.108 6.027 398 HA LYS 52 HA LYS 52 15.974 33.768 4.736 399 1HB LYS 52 HB2 LYS 52 16.279 35.998 6.015 400 2HB LYS 52 HB1 LYS 52 16.869 35.081 7.369 401 1HG LYS 52 HG2 LYS 52 18.060 35.226 4.574 402 2HG LYS 52 HG1 LYS 52 18.675 36.025 5.987 403 1HD LYS 52 HD2 LYS 52 19.507 34.027 7.014 404 2HD LYS 52 HD1 LYS 52 18.638 32.954 5.938 405 1HE LYS 52 HE2 LYS 52 20.816 34.869 5.060 406 2HE LYS 52 HE1 LYS 52 20.988 33.123 5.287 407 1HZ LYS 52 HZ1 LYS 52 19.837 34.436 2.993 408 2HZ LYS 52 HZ2 LYS 52 18.706 33.385 3.791 409 3HZ LYS 52 HZ3 LYS 52 20.119 32.769 3.326 410 H ALA 53 HN ALA 53 15.771 33.344 8.241 411 HA ALA 53 HA ALA 53 17.533 31.035 8.221 412 1HB ALA 53 HB1 ALA 53 17.284 32.503 10.196 413 2HB ALA 53 HB2 ALA 53 16.792 30.891 10.661 414 3HB ALA 53 HB3 ALA 53 15.580 32.125 10.354 415 H LYS 54 HN LYS 54 13.959 31.069 9.052 416 HA LYS 54 HA LYS 54 13.481 28.398 8.861 417 1HB LYS 54 HB2 LYS 54 11.978 30.871 8.173 418 2HB LYS 54 HB1 LYS 54 11.323 29.489 7.347 419 1HG LYS 54 HG2 LYS 54 10.039 29.600 9.311 420 2HG LYS 54 HG1 LYS 54 11.206 28.355 9.640 421 1HD LYS 54 HD2 LYS 54 12.245 29.541 11.312 422 2HD LYS 54 HD1 LYS 54 12.171 31.064 10.452 423 1HE LYS 54 HE2 LYS 54 9.853 29.706 11.883 424 2HE LYS 54 HE1 LYS 54 10.775 31.036 12.562 425 1HZ LYS 54 HZ1 LYS 54 8.553 31.205 10.889 426 2HZ LYS 54 HZ2 LYS 54 9.878 31.699 9.915 427 3HZ LYS 54 HZ3 LYS 54 9.517 32.503 11.368 428 H TRP 55 HN TRP 55 13.505 30.411 6.031 429 HA TRP 55 HA TRP 55 13.047 28.292 4.232 430 1HB TRP 55 HB2 TRP 55 12.505 30.606 4.076 431 2HB TRP 55 HB1 TRP 55 14.154 31.014 3.749 432 HD1 TRP 55 HD1 TRP 55 11.069 29.507 1.741 433 HE1 TRP 55 HE1 TRP 55 11.970 28.980 -0.404 434 HE3 TRP 55 HE3 TRP 55 15.831 30.411 2.635 435 HZ2 TRP 55 HZ2 TRP 55 14.421 28.987 -1.860 436 HZ3 TRP 55 HZ3 TRP 55 17.524 30.152 0.903 437 HH2 TRP 55 HH2 TRP 55 16.761 29.523 -1.383 438 H ASP 56 HN ASP 56 15.848 30.239 4.760 439 HA ASP 56 HA ASP 56 17.708 28.716 3.166 440 1HB ASP 56 HB2 ASP 56 18.313 30.142 5.764 441 2HB ASP 56 HB1 ASP 56 19.516 29.118 5.046 442 H ALA 57 HN ALA 57 16.899 28.165 6.580 443 HA ALA 57 HA ALA 57 18.437 25.937 7.080 444 1HB ALA 57 HB1 ALA 57 17.222 27.287 8.765 445 2HB ALA 57 HB2 ALA 57 16.749 25.596 8.939 446 3HB ALA 57 HB3 ALA 57 15.684 26.730 8.115 447 H TRP 58 HN TRP 58 15.242 26.200 5.563 448 HA TRP 58 HA TRP 58 15.030 23.224 5.414 449 1HB TRP 58 HB2 TRP 58 13.004 24.605 5.408 450 2HB TRP 58 HB1 TRP 58 13.571 25.439 3.990 451 HD1 TRP 58 HD1 TRP 58 14.344 21.634 3.576 452 HE1 TRP 58 HE1 TRP 58 12.442 20.804 2.032 453 HE3 TRP 58 HE3 TRP 58 11.275 25.576 3.659 454 HZ2 TRP 58 HZ2 TRP 58 9.963 21.674 0.947 455 HZ3 TRP 58 HZ3 TRP 58 9.148 25.624 2.406 456 HH2 TRP 58 HH2 TRP 58 8.520 23.692 1.016 457 H ASN 59 HN ASN 59 15.773 25.890 3.130 458 HA ASN 59 HA ASN 59 16.279 24.566 0.817 459 1HB ASN 59 HB2 ASN 59 16.392 27.052 1.476 460 2HB ASN 59 HB1 ASN 59 17.955 26.703 2.161 461 1HD2 ASN 59 HD21 ASN 59 19.082 27.922 1.128 462 2HD2 ASN 59 HD22 ASN 59 19.381 27.872 -0.563 463 H GLU 60 HN GLU 60 18.495 24.928 3.475 464 HA GLU 60 HA GLU 60 20.795 23.618 2.657 465 1HB GLU 60 HB2 GLU 60 19.553 24.145 5.298 466 2HB GLU 60 HB1 GLU 60 20.756 22.873 5.336 467 1HG GLU 60 HG2 GLU 60 22.044 24.876 5.727 468 2HG GLU 60 HG1 GLU 60 22.259 24.636 4.005 469 H LEU 61 HN LEU 61 17.851 22.104 3.073 470 HA LEU 61 HA LEU 61 18.906 19.345 3.382 471 1HB LEU 61 HB2 LEU 61 16.049 20.255 3.596 472 2HB LEU 61 HB1 LEU 61 16.719 18.719 4.109 473 HG LEU 61 HG LEU 61 17.293 21.479 5.313 474 1HD1 LEU 61 HD11 LEU 61 15.136 20.475 5.879 475 2HD1 LEU 61 HD12 LEU 61 16.206 20.479 7.284 476 3HD1 LEU 61 HD13 LEU 61 15.919 18.988 6.395 477 1HD2 LEU 61 HD21 LEU 61 18.636 20.308 6.992 478 2HD2 LEU 61 HD22 LEU 61 19.346 20.071 5.414 479 3HD2 LEU 61 HD23 LEU 61 18.422 18.772 6.166 480 H LYS 62 HN LYS 62 17.654 21.421 0.905 481 HA LYS 62 HA LYS 62 16.079 19.841 -0.654 482 1HB LYS 62 HB2 LYS 62 16.740 22.188 -1.150 483 2HB LYS 62 HB1 LYS 62 18.384 21.697 -1.490 484 1HG LYS 62 HG2 LYS 62 17.559 20.135 -3.219 485 2HG LYS 62 HG1 LYS 62 15.913 20.631 -2.892 486 1HD LYS 62 HD2 LYS 62 16.901 23.049 -3.495 487 2HD LYS 62 HD1 LYS 62 18.147 22.110 -4.297 488 1HE LYS 62 HE2 LYS 62 15.141 21.993 -4.809 489 2HE LYS 62 HE1 LYS 62 16.392 22.510 -5.935 490 1HZ LYS 62 HZ1 LYS 62 15.489 19.848 -5.378 491 2HZ LYS 62 HZ2 LYS 62 17.043 19.943 -4.924 492 3HZ LYS 62 HZ3 LYS 62 16.657 20.325 -6.544 493 H GLY 63 HN GLY 63 16.279 17.892 -1.657 494 1HA GLY 63 HA2 GLY 63 17.592 16.339 -3.045 495 2HA GLY 63 HA1 GLY 63 19.061 16.952 -2.299 496 H THR 64 HN THR 64 17.776 16.835 0.360 497 HA THR 64 HA THR 64 18.769 14.320 1.088 498 HB THR 64 HB THR 64 17.177 16.439 2.519 499 HG1 THR 64 HG1 THR 64 19.099 14.949 3.810 500 1HG2 THR 64 HG21 THR 64 16.926 15.202 4.620 501 2HG2 THR 64 HG22 THR 64 17.542 13.713 3.959 502 3HG2 THR 64 HG23 THR 64 15.983 14.327 3.446 503 H SER 65 HN SER 65 17.456 12.664 2.430 504 HA SER 65 HA SER 65 15.332 11.586 0.665 505 1HB SER 65 HB2 SER 65 16.868 9.820 1.025 506 2HB SER 65 HB1 SER 65 17.337 10.414 2.618 507 HG SER 65 HG1 SER 65 15.953 9.052 3.346 508 H LYS 66 HN LYS 66 13.203 11.688 1.328 509 HA LYS 66 HA LYS 66 12.387 13.159 3.548 510 1HB LYS 66 HB2 LYS 66 10.186 11.962 3.263 511 2HB LYS 66 HB1 LYS 66 10.833 12.570 1.759 512 1HG LYS 66 HG2 LYS 66 11.801 10.150 1.390 513 2HG LYS 66 HG1 LYS 66 10.820 9.656 2.741 514 1HD LYS 66 HD2 LYS 66 9.711 10.936 0.198 515 2HD LYS 66 HD1 LYS 66 9.654 9.226 0.574 516 1HE LYS 66 HE2 LYS 66 8.275 9.809 2.647 517 2HE LYS 66 HE1 LYS 66 8.205 11.462 2.062 518 1HZ LYS 66 HZ1 LYS 66 6.607 9.272 1.256 519 2HZ LYS 66 HZ2 LYS 66 7.535 9.730 -0.089 520 3HZ LYS 66 HZ3 LYS 66 6.529 10.875 0.671 521 H GLU 67 HN GLU 67 12.889 9.640 3.409 522 HA GLU 67 HA GLU 67 12.096 8.936 5.971 523 1HB GLU 67 HB2 GLU 67 14.000 7.978 3.846 524 2HB GLU 67 HB1 GLU 67 14.184 7.220 5.382 525 1HG GLU 67 HG2 GLU 67 11.444 7.455 4.000 526 2HG GLU 67 HG1 GLU 67 12.496 6.095 3.661 527 H ASP 68 HN ASP 68 15.350 10.179 5.019 528 HA ASP 68 HA ASP 68 16.485 9.973 7.582 529 1HB ASP 68 HB2 ASP 68 16.942 11.656 5.086 530 2HB ASP 68 HB1 ASP 68 18.073 11.632 6.409 531 H ALA 69 HN ALA 69 14.923 12.506 5.932 532 HA ALA 69 HA ALA 69 15.043 14.523 8.002 533 1HB ALA 69 HB1 ALA 69 14.357 14.892 5.613 534 2HB ALA 69 HB2 ALA 69 13.197 15.623 6.711 535 3HB ALA 69 HB3 ALA 69 12.845 14.084 5.911 536 H MET 70 HN MET 70 12.581 11.976 7.354 537 HA MET 70 HA MET 70 10.810 12.529 9.409 538 1HB MET 70 HB2 MET 70 11.696 10.080 7.874 539 2HB MET 70 HB1 MET 70 10.481 9.950 9.062 540 1HG MET 70 HG2 MET 70 9.242 11.752 7.714 541 2HG MET 70 HG1 MET 70 10.580 11.858 6.657 542 1HE MET 70 HE1 MET 70 7.386 11.349 6.584 543 2HE MET 70 HE2 MET 70 7.274 9.775 7.396 544 3HE MET 70 HE3 MET 70 6.961 9.913 5.669 545 H LYS 71 HN LYS 71 13.304 10.212 9.260 546 HA LYS 71 HA LYS 71 13.372 9.203 11.868 547 1HB LYS 71 HB2 LYS 71 15.711 9.691 9.975 548 2HB LYS 71 HB1 LYS 71 15.871 8.734 11.430 549 1HG LYS 71 HG2 LYS 71 14.134 7.250 10.666 550 2HG LYS 71 HG1 LYS 71 13.939 8.105 9.150 551 1HD LYS 71 HD2 LYS 71 16.588 7.754 8.965 552 2HD LYS 71 HD1 LYS 71 16.326 6.479 10.133 553 1HE LYS 71 HE2 LYS 71 15.235 6.760 7.325 554 2HE LYS 71 HE1 LYS 71 16.203 5.449 7.970 555 1HZ LYS 71 HZ1 LYS 71 13.843 5.786 9.532 556 2HZ LYS 71 HZ2 LYS 71 14.281 4.398 8.621 557 3HZ LYS 71 HZ3 LYS 71 13.448 5.687 7.890 558 H ALA 72 HN ALA 72 15.549 11.785 10.607 559 HA ALA 72 HA ALA 72 16.699 12.584 12.933 560 1HB ALA 72 HB1 ALA 72 17.095 14.655 11.551 561 2HB ALA 72 HB2 ALA 72 15.785 14.178 10.484 562 3HB ALA 72 HB3 ALA 72 17.254 13.220 10.557 563 H TYR 73 HN TYR 73 13.605 13.581 11.493 564 HA TYR 73 HA TYR 73 12.990 15.569 13.426 565 1HB TYR 73 HB2 TYR 73 11.994 15.065 11.116 566 2HB TYR 73 HB1 TYR 73 11.026 13.826 11.881 567 HD1 TYR 73 HD1 TYR 73 11.532 17.340 11.373 568 HD2 TYR 73 HD2 TYR 73 9.428 14.469 13.674 569 HE1 TYR 73 HE1 TYR 73 9.931 19.066 12.036 570 HE2 TYR 73 HE2 TYR 73 7.833 16.163 14.367 571 HH TYR 73 HH TYR 73 7.524 18.450 14.511 572 H ILE 74 HN ILE 74 12.278 12.163 13.262 573 HA ILE 74 HA ILE 74 10.659 12.011 15.667 574 HB ILE 74 HB ILE 74 12.382 9.803 14.423 575 1HG1 ILE 74 HG12 ILE 74 9.358 10.203 14.093 576 2HG1 ILE 74 HG11 ILE 74 10.492 10.858 12.926 577 1HG2 ILE 74 HG21 ILE 74 11.621 9.416 16.835 578 2HG2 ILE 74 HG22 ILE 74 10.838 8.318 15.741 579 3HG2 ILE 74 HG23 ILE 74 9.961 9.712 16.332 580 1HD1 ILE 74 HD1 ILE 74 9.720 8.572 12.226 581 2HD1 ILE 74 HD2 ILE 74 10.298 7.917 13.745 582 3HD1 ILE 74 HD3 ILE 74 11.436 8.556 12.588 583 H ASP 75 HN ASP 75 14.152 11.189 15.191 584 HA ASP 75 HA ASP 75 14.706 10.727 17.899 585 1HB ASP 75 HB2 ASP 75 16.303 11.719 15.494 586 2HB ASP 75 HB1 ASP 75 17.044 11.248 17.003 587 H LYS 76 HN LYS 76 14.754 13.696 15.994 588 HA LYS 76 HA LYS 76 15.645 15.399 18.135 589 1HB LYS 76 HB2 LYS 76 15.027 15.832 15.435 590 2HB LYS 76 HB1 LYS 76 13.802 16.788 16.206 591 1HG LYS 76 HG2 LYS 76 16.842 16.943 16.680 592 2HG LYS 76 HG1 LYS 76 15.880 18.180 15.919 593 1HD LYS 76 HD2 LYS 76 14.936 18.959 17.979 594 2HD LYS 76 HD1 LYS 76 15.246 17.457 18.806 595 1HE LYS 76 HE2 LYS 76 16.924 18.793 19.738 596 2HE LYS 76 HE1 LYS 76 17.750 17.958 18.435 597 1HZ LYS 76 HZ1 LYS 76 16.649 20.234 17.279 598 2HZ LYS 76 HZ2 LYS 76 18.249 19.852 17.523 599 3HZ LYS 76 HZ3 LYS 76 17.449 20.778 18.669 600 H VAL 77 HN VAL 77 12.198 14.589 17.105 601 HA VAL 77 HA VAL 77 11.062 16.305 19.073 602 HB VAL 77 HB VAL 77 10.112 13.672 17.816 603 1HG1 VAL 77 HG11 VAL 77 8.565 15.625 19.618 604 2HG1 VAL 77 HG12 VAL 77 9.054 14.002 20.123 605 3HG1 VAL 77 HG13 VAL 77 7.893 14.219 18.817 606 1HG2 VAL 77 HG21 VAL 77 8.545 15.324 16.639 607 2HG2 VAL 77 HG22 VAL 77 10.238 15.651 16.302 608 3HG2 VAL 77 HG23 VAL 77 9.354 16.625 17.465 609 H GLU 78 HN GLU 78 12.067 12.936 19.098 610 HA GLU 78 HA GLU 78 11.488 12.398 21.822 611 1HB GLU 78 HB2 GLU 78 13.153 11.276 19.663 612 2HB GLU 78 HB1 GLU 78 13.867 10.869 21.164 613 1HG GLU 78 HG2 GLU 78 10.988 10.444 21.560 614 2HG GLU 78 HG1 GLU 78 11.257 10.064 19.880 615 H GLU 79 HN GLU 79 14.404 14.093 20.441 616 HA GLU 79 HA GLU 79 15.762 14.366 22.940 617 1HB GLU 79 HB2 GLU 79 15.669 16.255 20.525 618 2HB GLU 79 HB1 GLU 79 16.767 16.459 21.864 619 1HG GLU 79 HG2 GLU 79 17.969 14.386 21.212 620 2HG GLU 79 HG1 GLU 79 16.843 14.094 19.903 621 H LEU 80 HN LEU 80 13.702 16.632 21.131 622 HA LEU 80 HA LEU 80 13.355 18.609 23.069 623 1HB LEU 80 HB2 LEU 80 11.266 17.630 21.071 624 2HB LEU 80 HB1 LEU 80 11.152 19.140 21.932 625 HG LEU 80 HG LEU 80 13.204 18.341 19.836 626 1HD1 LEU 80 HD11 LEU 80 10.971 19.184 19.099 627 2HD1 LEU 80 HD12 LEU 80 12.261 20.309 18.707 628 3HD1 LEU 80 HD13 LEU 80 11.232 20.624 20.099 629 1HD2 LEU 80 HD21 LEU 80 14.383 19.658 21.613 630 2HD2 LEU 80 HD22 LEU 80 13.127 20.899 21.521 631 3HD2 LEU 80 HD23 LEU 80 14.160 20.576 20.142 632 H LYS 81 HN LYS 81 11.690 15.651 22.921 633 HA LYS 81 HA LYS 81 9.736 16.365 24.952 634 1HB LYS 81 HB2 LYS 81 9.396 14.894 23.125 635 2HB LYS 81 HB1 LYS 81 10.655 13.770 23.597 636 1HG LYS 81 HG2 LYS 81 9.338 12.982 25.498 637 2HG LYS 81 HG1 LYS 81 8.245 14.360 25.391 638 1HD LYS 81 HD2 LYS 81 7.360 13.583 23.231 639 2HD LYS 81 HD1 LYS 81 8.548 12.298 23.153 640 1HE LYS 81 HE2 LYS 81 7.502 11.201 25.114 641 2HE LYS 81 HE1 LYS 81 6.332 12.501 25.250 642 1HZ LYS 81 HZ1 LYS 81 5.106 11.487 23.550 643 2HZ LYS 81 HZ2 LYS 81 6.319 10.297 23.429 644 3HZ LYS 81 HZ3 LYS 81 6.340 11.708 22.528 645 H LYS 82 HN LYS 82 12.888 14.653 24.871 646 HA LYS 82 HA LYS 82 12.785 14.090 27.735 647 1HB LYS 82 HB2 LYS 82 15.077 14.267 25.718 648 2HB LYS 82 HB1 LYS 82 15.234 13.590 27.333 649 1HG LYS 82 HG2 LYS 82 13.706 11.814 26.862 650 2HG LYS 82 HG1 LYS 82 13.081 12.577 25.416 651 1HD LYS 82 HD2 LYS 82 15.362 12.328 24.349 652 2HD LYS 82 HD1 LYS 82 15.920 11.530 25.800 653 1HE LYS 82 HE2 LYS 82 15.319 9.824 24.127 654 2HE LYS 82 HE1 LYS 82 14.203 9.758 25.477 655 1HZ LYS 82 HZ1 LYS 82 13.606 10.250 22.761 656 2HZ LYS 82 HZ2 LYS 82 13.149 11.637 23.687 657 3HZ LYS 82 HZ3 LYS 82 12.557 10.033 23.968 658 H LYS 83 HN LYS 83 14.181 16.627 25.791 659 HA LYS 83 HA LYS 83 15.525 18.206 27.659 660 1HB LYS 83 HB2 LYS 83 15.763 18.096 25.225 661 2HB LYS 83 HB1 LYS 83 14.211 18.760 25.025 662 1HG LYS 83 HG2 LYS 83 15.725 20.523 24.594 663 2HG LYS 83 HG1 LYS 83 14.769 20.877 26.027 664 1HD LYS 83 HD2 LYS 83 16.709 20.170 27.474 665 2HD LYS 83 HD1 LYS 83 17.705 20.043 26.028 666 1HE LYS 83 HE2 LYS 83 16.175 22.549 26.869 667 2HE LYS 83 HE1 LYS 83 17.887 22.286 27.150 668 1HZ LYS 83 HZ1 LYS 83 18.218 23.102 25.068 669 2HZ LYS 83 HZ2 LYS 83 16.530 23.101 24.772 670 3HZ LYS 83 HZ3 LYS 83 17.451 21.711 24.468 671 H TYR 84 HN TYR 84 12.487 18.614 26.265 672 HA TYR 84 HA TYR 84 11.714 20.750 28.234 673 1HB TYR 84 HB2 TYR 84 10.406 20.193 25.478 674 2HB TYR 84 HB1 TYR 84 10.020 21.476 26.573 675 HD1 TYR 84 HD1 TYR 84 11.812 23.148 27.262 676 HD2 TYR 84 HD2 TYR 84 12.379 20.439 24.019 677 HE1 TYR 84 HE1 TYR 84 13.649 24.510 26.451 678 HE2 TYR 84 HE2 TYR 84 14.255 21.837 23.206 679 HH TYR 84 HH TYR 84 14.899 24.946 24.524 680 H GLY 85 HN GLY 85 10.664 17.552 27.265 681 1HA GLY 85 HA2 GLY 85 8.799 16.241 27.795 682 2HA GLY 85 HA1 GLY 85 9.325 16.654 29.398 683 H ILE 86 HN ILE 86 7.979 19.386 27.989 684 HA ILE 86 HA ILE 86 5.219 18.971 28.337 685 HB ILE 86 HB ILE 86 6.236 19.147 30.758 686 1HG1 ILE 86 HG12 ILE 86 4.529 20.963 31.469 687 2HG1 ILE 86 HG11 ILE 86 4.225 21.178 29.746 688 1HG2 ILE 86 HG21 ILE 86 6.739 22.039 29.900 689 2HG2 ILE 86 HG22 ILE 86 7.949 20.843 30.302 690 3HG2 ILE 86 HG23 ILE 86 6.854 21.428 31.542 691 1HD1 ILE 86 HD1 ILE 86 3.520 18.807 29.539 692 2HD1 ILE 86 HD2 ILE 86 2.572 19.631 30.762 693 3HD1 ILE 86 HD3 ILE 86 3.875 18.560 31.241 Start of MODEL 15 1 1H SER 1 HT1 SER 1 0.202 4.721 6.311 2 2H SER 1 HT2 SER 1 -0.451 4.949 4.748 3 3H SER 1 HT3 SER 1 -1.446 5.174 6.095 4 HA SER 1 HA SER 1 0.068 7.114 4.820 5 1HB SER 1 HB2 SER 1 -1.424 7.285 7.505 6 2HB SER 1 HB1 SER 1 -1.346 8.515 6.218 7 HG SER 1 HG1 SER 1 -3.079 7.433 5.447 8 H GLN 2 HN GLN 2 1.067 8.890 6.500 9 HA GLN 2 HA GLN 2 3.617 7.899 7.246 10 1HB GLN 2 HB2 GLN 2 2.146 10.534 7.872 11 2HB GLN 2 HB1 GLN 2 3.864 10.299 8.118 12 1HG GLN 2 HG2 GLN 2 4.201 9.749 5.719 13 2HG GLN 2 HG1 GLN 2 2.493 9.879 5.389 14 1HE2 GLN 2 HE21 GLN 2 2.993 12.595 7.278 15 2HE2 GLN 2 HE22 GLN 2 3.452 13.624 6.001 16 H ALA 3 HN ALA 3 4.478 7.376 9.059 17 HA ALA 3 HA ALA 3 2.744 6.745 11.414 18 1HB ALA 3 HB1 ALA 3 4.476 4.995 11.893 19 2HB ALA 3 HB2 ALA 3 5.417 5.567 10.512 20 3HB ALA 3 HB3 ALA 3 3.822 4.886 10.278 21 H GLU 4 HN GLU 4 5.800 6.377 12.382 22 HA GLU 4 HA GLU 4 5.719 7.872 14.680 23 1HB GLU 4 HB2 GLU 4 8.230 7.487 13.141 24 2HB GLU 4 HB1 GLU 4 8.162 7.799 14.846 25 1HG GLU 4 HG2 GLU 4 7.388 5.575 15.384 26 2HG GLU 4 HG1 GLU 4 7.322 5.107 13.693 27 H PHE 5 HN PHE 5 6.660 9.014 11.635 28 HA PHE 5 HA PHE 5 8.055 11.382 12.620 29 1HB PHE 5 HB2 PHE 5 8.702 10.569 10.490 30 2HB PHE 5 HB1 PHE 5 7.014 10.516 9.984 31 HD1 PHE 5 HD1 PHE 5 9.475 13.106 11.278 32 HD2 PHE 5 HD2 PHE 5 6.228 12.176 8.688 33 HE1 PHE 5 HE1 PHE 5 9.556 15.384 10.321 34 HE2 PHE 5 HE2 PHE 5 6.281 14.383 7.778 35 HZ PHE 5 HZ PHE 5 7.939 16.011 8.531 36 H ASP 6 HN ASP 6 4.897 11.062 10.897 37 HA ASP 6 HA ASP 6 4.323 13.820 11.381 38 1HB ASP 6 HB2 ASP 6 2.928 11.368 10.363 39 2HB ASP 6 HB1 ASP 6 1.856 12.396 11.270 40 H LYS 7 HN LYS 7 3.695 10.786 13.200 41 HA LYS 7 HA LYS 7 2.379 11.878 15.410 42 1HB LYS 7 HB2 LYS 7 2.987 9.470 15.251 43 2HB LYS 7 HB1 LYS 7 4.689 9.865 15.427 44 1HG LYS 7 HG2 LYS 7 4.182 10.933 17.680 45 2HG LYS 7 HG1 LYS 7 2.520 10.474 17.498 46 1HD LYS 7 HD2 LYS 7 3.677 8.902 18.976 47 2HD LYS 7 HD1 LYS 7 3.063 8.100 17.551 48 1HE LYS 7 HE2 LYS 7 5.287 7.243 18.073 49 2HE LYS 7 HE1 LYS 7 5.381 8.134 16.576 50 1HZ LYS 7 HZ1 LYS 7 6.832 8.553 18.928 51 2HZ LYS 7 HZ2 LYS 7 5.869 9.928 18.780 52 3HZ LYS 7 HZ3 LYS 7 6.896 9.512 17.521 53 H ALA 8 HN ALA 8 6.005 11.820 14.824 54 HA ALA 8 HA ALA 8 6.445 13.442 17.158 55 1HB ALA 8 HB1 ALA 8 8.098 13.229 14.589 56 2HB ALA 8 HB2 ALA 8 8.249 12.205 16.011 57 3HB ALA 8 HB3 ALA 8 8.693 13.890 16.126 58 H ALA 9 HN ALA 9 6.093 14.393 13.929 59 HA ALA 9 HA ALA 9 6.453 17.225 14.188 60 1HB ALA 9 HB1 ALA 9 5.202 17.390 12.045 61 2HB ALA 9 HB2 ALA 9 4.553 15.764 12.293 62 3HB ALA 9 HB3 ALA 9 6.274 16.013 12.031 63 H GLU 10 HN GLU 10 3.560 15.303 14.767 64 HA GLU 10 HA GLU 10 1.853 17.508 15.329 65 1HB GLU 10 HB2 GLU 10 0.978 15.450 14.418 66 2HB GLU 10 HB1 GLU 10 1.784 14.474 15.626 67 1HG GLU 10 HG2 GLU 10 0.348 15.478 17.414 68 2HG GLU 10 HG1 GLU 10 -0.455 16.481 16.212 69 H GLU 11 HN GLU 11 3.668 15.019 17.329 70 HA GLU 11 HA GLU 11 2.772 15.979 19.776 71 1HB GLU 11 HB2 GLU 11 5.369 14.639 18.770 72 2HB GLU 11 HB1 GLU 11 5.141 15.007 20.442 73 1HG GLU 11 HG2 GLU 11 3.035 13.526 20.434 74 2HG GLU 11 HG1 GLU 11 3.455 13.046 18.814 75 H VAL 12 HN VAL 12 5.533 17.003 17.787 76 HA VAL 12 HA VAL 12 6.574 18.954 19.532 77 HB VAL 12 HB VAL 12 7.103 18.057 16.967 78 1HG1 VAL 12 HG11 VAL 12 6.634 21.093 16.831 79 2HG1 VAL 12 HG12 VAL 12 5.730 19.892 15.911 80 3HG1 VAL 12 HG13 VAL 12 7.423 20.149 15.597 81 1HG2 VAL 12 HG21 VAL 12 8.744 18.622 18.655 82 2HG2 VAL 12 HG22 VAL 12 8.347 20.324 18.515 83 3HG2 VAL 12 HG23 VAL 12 9.117 19.494 17.183 84 H LYS 13 HN LYS 13 4.164 19.314 16.888 85 HA LYS 13 HA LYS 13 3.434 21.974 17.354 86 1HB LYS 13 HB2 LYS 13 1.680 19.611 16.522 87 2HB LYS 13 HB1 LYS 13 1.139 21.272 16.456 88 1HG LYS 13 HG2 LYS 13 2.793 21.864 14.817 89 2HG LYS 13 HG1 LYS 13 3.646 20.361 14.982 90 1HD LYS 13 HD2 LYS 13 1.382 19.212 14.229 91 2HD LYS 13 HD1 LYS 13 0.801 20.821 13.900 92 1HE LYS 13 HE2 LYS 13 1.570 19.759 11.827 93 2HE LYS 13 HE1 LYS 13 2.586 21.147 12.194 94 1HZ LYS 13 HZ1 LYS 13 3.389 18.421 11.963 95 2HZ LYS 13 HZ2 LYS 13 3.583 18.948 13.579 96 3HZ LYS 13 HZ3 LYS 13 4.383 19.765 12.342 97 H HIS 14 HN HIS 14 2.960 19.411 19.452 98 HA HIS 14 HA HIS 14 1.053 20.988 21.153 99 1HB HIS 14 HB2 HIS 14 1.215 17.958 20.900 100 2HB HIS 14 HB1 HIS 14 0.173 18.804 22.035 101 HD1 HIS 14 HD1 HIS 14 0.687 18.306 18.478 102 HD2 HIS 14 HD2 HIS 14 -2.174 19.895 20.891 103 HE1 HIS 14 HE1 HIS 14 -1.324 18.747 17.011 104 H LEU 15 HN LEU 15 4.218 20.558 21.280 105 HA LEU 15 HA LEU 15 4.541 19.220 23.850 106 1HB LEU 15 HB2 LEU 15 6.271 21.531 22.788 107 2HB LEU 15 HB1 LEU 15 6.717 20.396 24.042 108 HG LEU 15 HG LEU 15 6.133 19.614 21.227 109 1HD1 LEU 15 HD11 LEU 15 8.756 19.974 22.762 110 2HD1 LEU 15 HD12 LEU 15 8.204 21.013 21.459 111 3HD1 LEU 15 HD13 LEU 15 8.661 19.350 21.127 112 1HD2 LEU 15 HD21 LEU 15 7.287 18.135 23.615 113 2HD2 LEU 15 HD22 LEU 15 7.274 17.478 21.985 114 3HD2 LEU 15 HD23 LEU 15 5.762 17.791 22.809 115 H LYS 16 HN LYS 16 4.744 20.283 26.016 116 HA LYS 16 HA LYS 16 2.916 22.592 26.051 117 1HB LYS 16 HB2 LYS 16 2.729 20.901 27.769 118 2HB LYS 16 HB1 LYS 16 4.427 21.070 28.193 119 1HG LYS 16 HG2 LYS 16 3.974 23.340 29.081 120 2HG LYS 16 HG1 LYS 16 2.301 23.239 28.559 121 1HD LYS 16 HD2 LYS 16 2.017 21.211 30.103 122 2HD LYS 16 HD1 LYS 16 3.703 21.346 30.547 123 1HE LYS 16 HE2 LYS 16 2.414 22.341 32.328 124 2HE LYS 16 HE1 LYS 16 3.254 23.637 31.487 125 1HZ LYS 16 HZ1 LYS 16 1.330 24.546 30.913 126 2HZ LYS 16 HZ2 LYS 16 0.467 23.371 31.804 127 3HZ LYS 16 HZ3 LYS 16 0.838 23.127 30.159 128 H THR 17 HN THR 17 6.302 22.228 25.843 129 HA THR 17 HA THR 17 6.578 25.124 26.620 130 HB THR 17 HB THR 17 8.923 23.183 26.500 131 HG1 THR 17 HG1 THR 17 7.326 22.238 27.827 132 1HG2 THR 17 HG21 THR 17 8.098 25.523 28.348 133 2HG2 THR 17 HG22 THR 17 9.233 25.758 27.033 134 3HG2 THR 17 HG23 THR 17 9.647 24.727 28.389 135 H LYS 18 HN LYS 18 8.353 26.242 25.369 136 HA LYS 18 HA LYS 18 7.990 25.682 22.487 137 1HB LYS 18 HB2 LYS 18 8.728 28.153 24.016 138 2HB LYS 18 HB1 LYS 18 9.063 28.082 22.305 139 1HG LYS 18 HG2 LYS 18 6.298 27.458 23.425 140 2HG LYS 18 HG1 LYS 18 6.789 29.081 22.998 141 1HD LYS 18 HD2 LYS 18 7.148 28.460 20.646 142 2HD LYS 18 HD1 LYS 18 7.051 26.757 20.993 143 1HE LYS 18 HE2 LYS 18 4.951 27.404 19.997 144 2HE LYS 18 HE1 LYS 18 4.659 27.071 21.700 145 1HZ LYS 18 HZ1 LYS 18 5.515 29.722 21.438 146 2HZ LYS 18 HZ2 LYS 18 3.985 29.196 21.989 147 3HZ LYS 18 HZ3 LYS 18 4.227 29.521 20.342 148 HA PRO 19 HA PRO 19 12.270 24.253 22.179 149 1HB PRO 19 HB2 PRO 19 11.280 23.853 19.348 150 2HB PRO 19 HB1 PRO 19 12.223 22.734 20.356 151 1HG PRO 19 HG2 PRO 19 9.661 22.187 20.125 152 2HG PRO 19 HG1 PRO 19 10.269 22.267 21.784 153 1HD PRO 19 HD2 PRO 19 8.914 24.529 20.239 154 2HD PRO 19 HD1 PRO 19 8.461 23.812 21.817 155 H ALA 20 HN ALA 20 13.883 25.425 21.736 156 HA ALA 20 HA ALA 20 13.785 28.191 21.030 157 1HB ALA 20 HB1 ALA 20 16.300 28.039 21.155 158 2HB ALA 20 HB2 ALA 20 16.157 26.283 21.163 159 3HB ALA 20 HB3 ALA 20 15.499 27.223 22.492 160 H ASP 21 HN ASP 21 15.194 29.278 19.346 161 HA ASP 21 HA ASP 21 14.240 29.072 16.807 162 1HB ASP 21 HB2 ASP 21 16.979 29.938 17.768 163 2HB ASP 21 HB1 ASP 21 16.455 30.159 16.111 164 H GLU 22 HN GLU 22 17.440 27.585 17.577 165 HA GLU 22 HA GLU 22 17.464 26.241 15.090 166 1HB GLU 22 HB2 GLU 22 18.872 25.755 17.746 167 2HB GLU 22 HB1 GLU 22 19.119 24.594 16.445 168 1HG GLU 22 HG2 GLU 22 19.541 27.605 16.101 169 2HG GLU 22 HG1 GLU 22 20.834 26.486 16.460 170 H GLU 23 HN GLU 23 15.532 25.459 17.665 171 HA GLU 23 HA GLU 23 15.152 22.665 16.764 172 1HB GLU 23 HB2 GLU 23 14.690 24.215 19.158 173 2HB GLU 23 HB1 GLU 23 13.145 23.644 18.587 174 1HG GLU 23 HG2 GLU 23 14.220 22.081 20.128 175 2HG GLU 23 HG1 GLU 23 14.004 21.354 18.540 176 H MET 24 HN MET 24 13.275 25.543 17.024 177 HA MET 24 HA MET 24 11.032 24.526 15.439 178 1HB MET 24 HB2 MET 24 10.411 26.938 15.002 179 2HB MET 24 HB1 MET 24 10.862 26.713 16.669 180 1HG MET 24 HG2 MET 24 12.993 27.638 16.337 181 2HG MET 24 HG1 MET 24 12.796 27.775 14.614 182 1HE MET 24 HE1 MET 24 12.404 29.225 17.988 183 2HE MET 24 HE2 MET 24 10.649 29.059 17.814 184 3HE MET 24 HE3 MET 24 11.414 30.652 17.796 185 H LEU 25 HN LEU 25 14.162 26.060 14.537 186 HA LEU 25 HA LEU 25 13.809 26.004 11.734 187 1HB LEU 25 HB2 LEU 25 16.128 26.125 13.669 188 2HB LEU 25 HB1 LEU 25 16.401 26.240 11.972 189 HG LEU 25 HG LEU 25 14.628 28.162 13.596 190 1HD1 LEU 25 HD11 LEU 25 17.089 28.342 14.068 191 2HD1 LEU 25 HD12 LEU 25 16.470 29.750 13.205 192 3HD1 LEU 25 HD13 LEU 25 17.384 28.519 12.353 193 1HD2 LEU 25 HD21 LEU 25 14.662 29.564 11.614 194 2HD2 LEU 25 HD22 LEU 25 13.994 27.994 11.196 195 3HD2 LEU 25 HD23 LEU 25 15.660 28.383 10.756 196 H PHE 26 HN PHE 26 15.463 23.667 13.994 197 HA PHE 26 HA PHE 26 16.190 21.811 11.949 198 1HB PHE 26 HB2 PHE 26 16.836 21.696 14.404 199 2HB PHE 26 HB1 PHE 26 15.251 21.032 14.774 200 HD1 PHE 26 HD1 PHE 26 18.407 20.511 12.928 201 HD2 PHE 26 HD2 PHE 26 14.723 18.716 14.079 202 HE1 PHE 26 HE1 PHE 26 19.237 18.346 12.178 203 HE2 PHE 26 HE2 PHE 26 15.562 16.523 13.310 204 HZ PHE 26 HZ PHE 26 17.816 16.342 12.352 205 H ILE 27 HN ILE 27 13.334 21.753 14.052 206 HA ILE 27 HA ILE 27 11.863 19.687 12.860 207 HB ILE 27 HB ILE 27 11.249 22.235 14.316 208 1HG1 ILE 27 HG12 ILE 27 10.369 20.797 16.088 209 2HG1 ILE 27 HG11 ILE 27 10.323 19.383 15.056 210 1HG2 ILE 27 HG21 ILE 27 8.776 21.687 14.419 211 2HG2 ILE 27 HG22 ILE 27 9.043 20.449 13.209 212 3HG2 ILE 27 HG23 ILE 27 9.259 22.130 12.809 213 1HD1 ILE 27 HD1 ILE 27 12.819 20.791 16.127 214 2HD1 ILE 27 HD2 ILE 27 12.860 19.437 15.009 215 3HD1 ILE 27 HD3 ILE 27 12.216 19.209 16.607 216 H TYR 28 HN TYR 28 11.015 22.962 12.438 217 HA TYR 28 HA TYR 28 9.651 23.086 10.085 218 1HB TYR 28 HB2 TYR 28 10.627 25.212 11.240 219 2HB TYR 28 HB1 TYR 28 12.041 24.991 10.217 220 HD1 TYR 28 HD1 TYR 28 11.540 24.643 7.631 221 HD2 TYR 28 HD2 TYR 28 8.754 26.290 10.407 222 HE1 TYR 28 HE1 TYR 28 10.275 25.536 5.790 223 HE2 TYR 28 HE2 TYR 28 7.455 27.214 8.498 224 HH TYR 28 HH TYR 28 7.857 27.794 6.000 225 H SER 29 HN SER 29 13.357 23.097 9.752 226 HA SER 29 HA SER 29 13.352 22.889 7.030 227 1HB SER 29 HB2 SER 29 15.759 22.184 7.546 228 2HB SER 29 HB1 SER 29 15.287 23.553 8.530 229 HG SER 29 HG1 SER 29 15.040 22.254 10.258 230 H HIS 30 HN HIS 30 13.829 20.352 9.343 231 HA HIS 30 HA HIS 30 13.863 18.264 7.400 232 1HB HIS 30 HB2 HIS 30 13.374 18.377 10.418 233 2HB HIS 30 HB1 HIS 30 13.473 16.824 9.596 234 HD1 HIS 30 HD1 HIS 30 15.581 19.982 9.815 235 HD2 HIS 30 HD2 HIS 30 15.975 15.915 9.460 236 HE1 HIS 30 HE1 HIS 30 18.004 19.498 9.829 237 H TYR 31 HN TYR 31 11.121 19.606 9.214 238 HA TYR 31 HA TYR 31 9.312 17.535 8.454 239 1HB TYR 31 HB2 TYR 31 8.806 19.395 10.236 240 2HB TYR 31 HB1 TYR 31 8.560 20.487 8.891 241 HD1 TYR 31 HD1 TYR 31 7.464 17.252 10.367 242 HD2 TYR 31 HD2 TYR 31 6.436 20.349 7.623 243 HE1 TYR 31 HE1 TYR 31 5.238 16.232 10.034 244 HE2 TYR 31 HE2 TYR 31 4.198 19.301 7.350 245 HH TYR 31 HH TYR 31 3.348 16.217 8.897 246 H LYS 32 HN LYS 32 10.227 20.674 7.048 247 HA LYS 32 HA LYS 32 8.356 20.334 4.836 248 1HB LYS 32 HB2 LYS 32 10.912 21.969 4.963 249 2HB LYS 32 HB1 LYS 32 9.646 22.096 3.747 250 1HG LYS 32 HG2 LYS 32 9.515 22.941 6.592 251 2HG LYS 32 HG1 LYS 32 9.202 23.837 5.137 252 1HD LYS 32 HD2 LYS 32 7.168 22.666 4.635 253 2HD LYS 32 HD1 LYS 32 7.318 21.659 6.062 254 1HE LYS 32 HE2 LYS 32 6.939 24.647 5.950 255 2HE LYS 32 HE1 LYS 32 5.777 23.468 6.536 256 1HZ LYS 32 HZ1 LYS 32 6.782 23.542 8.596 257 2HZ LYS 32 HZ2 LYS 32 7.773 24.752 7.966 258 3HZ LYS 32 HZ3 LYS 32 8.304 23.172 7.894 259 H GLN 33 HN GLN 33 11.941 19.708 4.835 260 HA GLN 33 HA GLN 33 11.821 18.604 2.162 261 1HB GLN 33 HB2 GLN 33 13.981 18.968 3.341 262 2HB GLN 33 HB1 GLN 33 13.571 17.679 4.448 263 1HG GLN 33 HG2 GLN 33 15.132 17.005 2.511 264 2HG GLN 33 HG1 GLN 33 13.743 15.972 2.668 265 1HE2 GLN 33 HE21 GLN 33 15.156 18.544 0.597 266 2HE2 GLN 33 HE22 GLN 33 14.153 18.103 -0.735 267 H ALA 34 HN ALA 34 11.142 17.049 5.274 268 HA ALA 34 HA ALA 34 10.798 14.421 4.320 269 1HB ALA 34 HB1 ALA 34 9.589 14.165 6.468 270 2HB ALA 34 HB2 ALA 34 9.488 15.900 6.634 271 3HB ALA 34 HB3 ALA 34 11.050 15.113 6.706 272 H THR 35 HN THR 35 8.322 16.890 4.865 273 HA THR 35 HA THR 35 6.365 15.239 3.353 274 HB THR 35 HB THR 35 4.560 16.696 4.389 275 HG1 THR 35 HG1 THR 35 6.887 17.869 5.584 276 1HG2 THR 35 HG21 THR 35 5.569 14.765 5.752 277 2HG2 THR 35 HG22 THR 35 4.955 16.102 6.717 278 3HG2 THR 35 HG23 THR 35 6.686 15.934 6.442 279 H VAL 36 HN VAL 36 7.539 18.460 3.154 280 HA VAL 36 HA VAL 36 5.738 18.998 0.803 281 HB VAL 36 HB VAL 36 7.954 20.753 2.032 282 1HG1 VAL 36 HG11 VAL 36 7.475 21.387 -0.402 283 2HG1 VAL 36 HG12 VAL 36 6.855 22.614 0.693 284 3HG1 VAL 36 HG13 VAL 36 5.764 21.457 -0.029 285 1HG2 VAL 36 HG21 VAL 36 4.914 20.886 2.314 286 2HG2 VAL 36 HG22 VAL 36 6.031 22.064 2.971 287 3HG2 VAL 36 HG23 VAL 36 6.039 20.415 3.584 288 H GLY 37 HN GLY 37 9.039 18.636 1.573 289 1HA GLY 37 HA2 GLY 37 10.549 17.207 0.217 290 2HA GLY 37 HA1 GLY 37 9.764 17.839 -1.226 291 H ASP 38 HN ASP 38 11.763 18.371 -2.065 292 HA ASP 38 HA ASP 38 13.753 19.935 -1.062 293 1HB ASP 38 HB2 ASP 38 12.637 20.166 -3.918 294 2HB ASP 38 HB1 ASP 38 14.319 20.147 -3.334 295 H ILE 39 HN ILE 39 14.103 22.420 -1.590 296 HA ILE 39 HA ILE 39 11.538 23.676 -0.803 297 HB ILE 39 HB ILE 39 13.588 23.805 0.519 298 1HG1 ILE 39 HG12 ILE 39 12.505 26.404 -0.553 299 2HG1 ILE 39 HG11 ILE 39 11.569 25.321 0.425 300 1HG2 ILE 39 HG21 ILE 39 15.366 25.444 -0.273 301 2HG2 ILE 39 HG22 ILE 39 14.628 25.521 -1.818 302 3HG2 ILE 39 HG23 ILE 39 15.354 24.004 -1.277 303 1HD1 ILE 39 HD1 ILE 39 14.146 26.610 1.294 304 2HD1 ILE 39 HD2 ILE 39 13.310 25.337 2.151 305 3HD1 ILE 39 HD3 ILE 39 12.519 26.868 1.934 306 H ASN 40 HN ASN 40 10.300 24.295 -2.483 307 HA ASN 40 HA ASN 40 11.526 25.668 -4.794 308 1HB ASN 40 HB2 ASN 40 9.765 24.381 -6.116 309 2HB ASN 40 HB1 ASN 40 10.908 23.282 -5.332 310 1HD2 ASN 40 HD21 ASN 40 8.070 22.654 -6.052 311 2HD2 ASN 40 HD22 ASN 40 7.379 22.265 -4.530 312 H THR 41 HN THR 41 10.172 26.141 -2.133 313 HA THR 41 HA THR 41 8.456 28.389 -2.922 314 HB THR 41 HB THR 41 6.569 27.695 -1.451 315 HG1 THR 41 HG1 THR 41 8.386 26.075 -0.498 316 1HG2 THR 41 HG21 THR 41 7.496 25.222 -2.976 317 2HG2 THR 41 HG22 THR 41 6.648 26.485 -3.864 318 3HG2 THR 41 HG23 THR 41 5.825 25.574 -2.586 319 H GLU 42 HN GLU 42 7.527 29.437 -1.001 320 HA GLU 42 HA GLU 42 7.591 30.472 0.980 321 1HB GLU 42 HB2 GLU 42 7.942 28.222 1.948 322 2HB GLU 42 HB1 GLU 42 9.657 28.370 1.817 323 1HG GLU 42 HG2 GLU 42 9.423 29.025 4.062 324 2HG GLU 42 HG1 GLU 42 9.095 30.633 3.426 325 H ARG 43 HN ARG 43 10.634 30.105 0.130 326 HA ARG 43 HA ARG 43 12.378 31.719 1.331 327 1HB ARG 43 HB2 ARG 43 12.261 30.899 -1.145 328 2HB ARG 43 HB1 ARG 43 11.883 32.576 -1.478 329 1HG ARG 43 HG2 ARG 43 13.945 33.351 -0.483 330 2HG ARG 43 HG1 ARG 43 14.273 31.793 0.296 331 1HD ARG 43 HD2 ARG 43 14.233 30.774 -2.076 332 2HD ARG 43 HD1 ARG 43 14.119 32.413 -2.689 333 HE ARG 43 HE ARG 43 16.386 31.696 -0.848 334 1HH1 ARG 43 HH11 ARG 43 16.479 34.186 -2.141 335 2HH1 ARG 43 HH12 ARG 43 17.535 33.911 -3.494 336 1HH2 ARG 43 HH21 ARG 43 16.924 30.511 -3.160 337 2HH2 ARG 43 HH22 ARG 43 17.792 31.637 -4.172 338 HA PRO 44 HA PRO 44 9.618 35.021 2.882 339 1HB PRO 44 HB2 PRO 44 12.476 35.414 3.837 340 2HB PRO 44 HB1 PRO 44 10.952 35.908 4.589 341 1HG PRO 44 HG2 PRO 44 11.860 33.573 5.331 342 2HG PRO 44 HG1 PRO 44 10.170 33.677 4.852 343 1HD PRO 44 HD2 PRO 44 12.536 32.608 3.257 344 2HD PRO 44 HD1 PRO 44 10.877 32.011 3.362 345 H GLY 45 HN GLY 45 12.670 36.345 2.035 346 1HA GLY 45 HA2 GLY 45 13.077 37.810 0.119 347 2HA GLY 45 HA1 GLY 45 11.349 38.122 0.025 348 H MET 46 HN MET 46 13.001 40.249 -0.151 349 HA MET 46 HA MET 46 14.118 41.776 1.432 350 1HB MET 46 HB2 MET 46 11.560 42.495 -0.039 351 2HB MET 46 HB1 MET 46 12.710 43.668 0.555 352 1HG MET 46 HG2 MET 46 14.491 42.711 -0.852 353 2HG MET 46 HG1 MET 46 13.434 41.454 -1.419 354 1HE MET 46 HE1 MET 46 14.058 45.515 -3.085 355 2HE MET 46 HE2 MET 46 14.936 44.706 -1.820 356 3HE MET 46 HE3 MET 46 13.424 45.570 -1.443 357 H LEU 47 HN LEU 47 10.732 41.312 2.328 358 HA LEU 47 HA LEU 47 11.071 43.250 4.527 359 1HB LEU 47 HB2 LEU 47 8.709 41.863 3.248 360 2HB LEU 47 HB1 LEU 47 8.520 42.540 4.837 361 HG LEU 47 HG LEU 47 7.774 44.103 3.021 362 1HD1 LEU 47 HD11 LEU 47 8.528 44.958 5.230 363 2HD1 LEU 47 HD12 LEU 47 8.951 46.090 3.955 364 3HD1 LEU 47 HD13 LEU 47 10.177 45.058 4.672 365 1HD2 LEU 47 HD21 LEU 47 9.471 43.522 1.296 366 2HD2 LEU 47 HD22 LEU 47 10.732 44.215 2.305 367 3HD2 LEU 47 HD23 LEU 47 9.477 45.239 1.644 368 H ASP 48 HN ASP 48 11.625 39.885 4.444 369 HA ASP 48 HA ASP 48 10.729 39.621 7.237 370 1HB ASP 48 HB2 ASP 48 9.775 38.055 5.751 371 2HB ASP 48 HB1 ASP 48 11.292 37.829 4.911 372 H PHE 49 HN PHE 49 12.078 38.324 8.738 373 HA PHE 49 HA PHE 49 14.986 38.585 8.251 374 1HB PHE 49 HB2 PHE 49 13.528 39.413 10.877 375 2HB PHE 49 HB1 PHE 49 15.213 39.677 10.462 376 HD1 PHE 49 HD1 PHE 49 11.725 40.562 9.493 377 HD2 PHE 49 HD2 PHE 49 15.828 41.669 9.222 378 HE1 PHE 49 HE1 PHE 49 11.079 42.709 8.444 379 HE2 PHE 49 HE2 PHE 49 15.164 43.811 8.181 380 HZ PHE 49 HZ PHE 49 12.793 44.311 7.801 381 H LYS 50 HN LYS 50 13.212 37.598 11.022 382 HA LYS 50 HA LYS 50 14.530 34.976 11.177 383 1HB LYS 50 HB2 LYS 50 12.264 36.195 12.801 384 2HB LYS 50 HB1 LYS 50 12.944 34.616 13.157 385 1HG LYS 50 HG2 LYS 50 15.164 35.570 13.576 386 2HG LYS 50 HG1 LYS 50 14.655 37.136 12.979 387 1HD LYS 50 HD2 LYS 50 14.652 37.166 15.457 388 2HD LYS 50 HD1 LYS 50 13.041 37.397 14.835 389 1HE LYS 50 HE2 LYS 50 12.928 35.870 16.733 390 2HE LYS 50 HE1 LYS 50 12.570 34.945 15.288 391 1HZ LYS 50 HZ1 LYS 50 14.720 34.541 17.121 392 2HZ LYS 50 HZ2 LYS 50 15.361 34.895 15.604 393 3HZ LYS 50 HZ3 LYS 50 14.350 33.581 15.853 394 H GLY 51 HN GLY 51 13.434 35.001 8.892 395 1HA GLY 51 HA2 GLY 51 11.377 32.821 8.822 396 2HA GLY 51 HA1 GLY 51 11.234 34.208 7.706 397 H LYS 52 HN LYS 52 13.355 34.803 6.835 398 HA LYS 52 HA LYS 52 14.343 33.156 4.860 399 1HB LYS 52 HB2 LYS 52 14.999 35.522 5.140 400 2HB LYS 52 HB1 LYS 52 16.026 35.109 6.497 401 1HG LYS 52 HG2 LYS 52 17.347 33.560 4.897 402 2HG LYS 52 HG1 LYS 52 16.343 34.109 3.584 403 1HD LYS 52 HD2 LYS 52 18.110 35.610 3.373 404 2HD LYS 52 HD1 LYS 52 17.064 36.523 4.454 405 1HE LYS 52 HE2 LYS 52 18.449 35.193 6.347 406 2HE LYS 52 HE1 LYS 52 19.632 35.069 5.047 407 1HZ LYS 52 HZ1 LYS 52 20.193 37.240 5.414 408 2HZ LYS 52 HZ2 LYS 52 19.010 37.304 6.640 409 3HZ LYS 52 HZ3 LYS 52 18.598 37.698 5.060 410 H ALA 53 HN ALA 53 15.419 33.216 8.196 411 HA ALA 53 HA ALA 53 17.594 31.325 7.944 412 1HB ALA 53 HB1 ALA 53 15.710 31.836 10.330 413 2HB ALA 53 HB2 ALA 53 17.155 32.762 10.014 414 3HB ALA 53 HB3 ALA 53 17.280 31.077 10.445 415 H LYS 54 HN LYS 54 14.318 30.721 9.290 416 HA LYS 54 HA LYS 54 14.209 27.952 9.133 417 1HB LYS 54 HB2 LYS 54 12.496 29.096 10.240 418 2HB LYS 54 HB1 LYS 54 12.324 30.266 8.975 419 1HG LYS 54 HG2 LYS 54 11.672 27.389 8.381 420 2HG LYS 54 HG1 LYS 54 10.546 28.280 9.385 421 1HD LYS 54 HD2 LYS 54 11.682 29.509 6.955 422 2HD LYS 54 HD1 LYS 54 10.356 28.399 6.698 423 1HE LYS 54 HE2 LYS 54 9.073 29.893 8.465 424 2HE LYS 54 HE1 LYS 54 10.400 31.026 8.311 425 1HZ LYS 54 HZ1 LYS 54 8.200 30.591 6.587 426 2HZ LYS 54 HZ2 LYS 54 9.537 30.272 5.722 427 3HZ LYS 54 HZ3 LYS 54 9.354 31.834 6.436 428 H TRP 55 HN TRP 55 13.727 30.169 6.451 429 HA TRP 55 HA TRP 55 12.953 28.201 4.657 430 1HB TRP 55 HB2 TRP 55 12.726 30.760 4.499 431 2HB TRP 55 HB1 TRP 55 14.414 30.804 3.969 432 HD1 TRP 55 HD1 TRP 55 11.030 29.344 3.118 433 HE1 TRP 55 HE1 TRP 55 11.171 28.491 0.703 434 HE3 TRP 55 HE3 TRP 55 15.892 30.064 2.203 435 HZ2 TRP 55 HZ2 TRP 55 12.958 28.222 -1.318 436 HZ3 TRP 55 HZ3 TRP 55 16.857 29.417 0.036 437 HH2 TRP 55 HH2 TRP 55 15.325 28.514 -1.715 438 H ASP 56 HN ASP 56 15.878 29.911 4.808 439 HA ASP 56 HA ASP 56 17.362 28.295 3.010 440 1HB ASP 56 HB2 ASP 56 18.135 30.103 5.351 441 2HB ASP 56 HB1 ASP 56 19.389 29.165 4.561 442 H ALA 57 HN ALA 57 16.879 27.941 6.462 443 HA ALA 57 HA ALA 57 18.523 25.789 7.097 444 1HB ALA 57 HB1 ALA 57 16.956 25.504 9.050 445 2HB ALA 57 HB2 ALA 57 15.777 26.520 8.241 446 3HB ALA 57 HB3 ALA 57 17.308 27.204 8.773 447 H TRP 58 HN TRP 58 15.326 25.960 5.641 448 HA TRP 58 HA TRP 58 15.017 22.985 5.574 449 1HB TRP 58 HB2 TRP 58 13.013 24.384 5.585 450 2HB TRP 58 HB1 TRP 58 13.595 25.280 4.228 451 HD1 TRP 58 HD1 TRP 58 14.253 21.505 3.487 452 HE1 TRP 58 HE1 TRP 58 12.372 20.891 1.862 453 HE3 TRP 58 HE3 TRP 58 11.170 25.512 3.841 454 HZ2 TRP 58 HZ2 TRP 58 9.985 21.800 0.807 455 HZ3 TRP 58 HZ3 TRP 58 9.077 25.633 2.527 456 HH2 TRP 58 HH2 TRP 58 8.491 23.796 0.993 457 H ASN 59 HN ASN 59 15.735 25.629 3.204 458 HA ASN 59 HA ASN 59 16.229 24.180 0.941 459 1HB ASN 59 HB2 ASN 59 16.432 26.705 1.267 460 2HB ASN 59 HB1 ASN 59 17.872 26.430 2.191 461 1HD2 ASN 59 HD21 ASN 59 18.850 27.971 0.819 462 2HD2 ASN 59 HD22 ASN 59 19.491 27.393 -0.655 463 H GLU 60 HN GLU 60 18.356 24.500 3.581 464 HA GLU 60 HA GLU 60 20.696 23.242 2.832 465 1HB GLU 60 HB2 GLU 60 20.104 24.259 5.085 466 2HB GLU 60 HB1 GLU 60 19.253 22.780 5.469 467 1HG GLU 60 HG2 GLU 60 21.410 21.487 5.089 468 2HG GLU 60 HG1 GLU 60 22.243 23.008 4.831 469 H LEU 61 HN LEU 61 17.703 21.681 3.344 470 HA LEU 61 HA LEU 61 18.629 18.891 3.083 471 1HB LEU 61 HB2 LEU 61 15.909 19.961 3.702 472 2HB LEU 61 HB1 LEU 61 16.446 18.296 3.897 473 HG LEU 61 HG LEU 61 17.654 20.670 5.425 474 1HD1 LEU 61 HD11 LEU 61 15.604 18.608 6.251 475 2HD1 LEU 61 HD12 LEU 61 15.285 20.312 5.949 476 3HD1 LEU 61 HD13 LEU 61 16.319 19.830 7.303 477 1HD2 LEU 61 HD21 LEU 61 19.166 18.668 5.212 478 2HD2 LEU 61 HD22 LEU 61 17.894 17.633 5.855 479 3HD2 LEU 61 HD23 LEU 61 18.606 18.887 6.854 480 H LYS 62 HN LYS 62 17.558 21.259 0.806 481 HA LYS 62 HA LYS 62 15.700 20.523 -0.655 482 1HB LYS 62 HB2 LYS 62 17.246 22.367 -0.971 483 2HB LYS 62 HB1 LYS 62 18.538 21.364 -1.488 484 1HG LYS 62 HG2 LYS 62 17.123 20.742 -3.527 485 2HG LYS 62 HG1 LYS 62 15.875 21.816 -2.935 486 1HD LYS 62 HD2 LYS 62 17.755 23.670 -2.820 487 2HD LYS 62 HD1 LYS 62 18.750 22.602 -3.781 488 1HE LYS 62 HE2 LYS 62 15.990 23.559 -4.642 489 2HE LYS 62 HE1 LYS 62 17.474 24.385 -5.084 490 1HZ LYS 62 HZ1 LYS 62 16.327 22.095 -6.261 491 2HZ LYS 62 HZ2 LYS 62 17.834 21.647 -5.633 492 3HZ LYS 62 HZ3 LYS 62 17.747 22.914 -6.752 493 H GLY 63 HN GLY 63 18.519 18.387 -1.000 494 1HA GLY 63 HA2 GLY 63 16.746 16.778 -2.740 495 2HA GLY 63 HA1 GLY 63 18.494 16.883 -2.937 496 H THR 64 HN THR 64 17.845 16.930 0.204 497 HA THR 64 HA THR 64 19.067 14.579 1.067 498 HB THR 64 HB THR 64 16.863 16.220 2.390 499 HG1 THR 64 HG1 THR 64 19.244 16.686 3.278 500 1HG2 THR 64 HG21 THR 64 17.867 15.534 4.545 501 2HG2 THR 64 HG22 THR 64 19.055 14.531 3.727 502 3HG2 THR 64 HG23 THR 64 17.348 14.098 3.720 503 H SER 65 HN SER 65 17.866 12.680 2.451 504 HA SER 65 HA SER 65 15.942 11.545 0.529 505 1HB SER 65 HB2 SER 65 17.481 10.583 3.015 506 2HB SER 65 HB1 SER 65 16.158 9.594 2.395 507 HG SER 65 HG1 SER 65 17.829 10.449 0.375 508 H LYS 66 HN LYS 66 13.806 10.790 1.788 509 HA LYS 66 HA LYS 66 12.989 13.164 3.440 510 1HB LYS 66 HB2 LYS 66 11.520 11.179 1.646 511 2HB LYS 66 HB1 LYS 66 10.653 12.362 2.638 512 1HG LYS 66 HG2 LYS 66 11.671 14.235 1.633 513 2HG LYS 66 HG1 LYS 66 13.050 13.373 1.033 514 1HD LYS 66 HD2 LYS 66 11.710 12.347 -0.744 515 2HD LYS 66 HD1 LYS 66 10.238 13.018 -0.050 516 1HE LYS 66 HE2 LYS 66 10.831 14.485 -1.864 517 2HE LYS 66 HE1 LYS 66 11.144 15.294 -0.358 518 1HZ LYS 66 HZ1 LYS 66 13.609 14.106 -1.005 519 2HZ LYS 66 HZ2 LYS 66 13.177 15.755 -1.156 520 3HZ LYS 66 HZ3 LYS 66 12.970 14.779 -2.452 521 H GLU 67 HN GLU 67 13.309 9.746 3.515 522 HA GLU 67 HA GLU 67 11.893 9.251 5.940 523 1HB GLU 67 HB2 GLU 67 13.813 7.790 4.081 524 2HB GLU 67 HB1 GLU 67 13.711 7.191 5.700 525 1HG GLU 67 HG2 GLU 67 11.310 7.556 3.818 526 2HG GLU 67 HG1 GLU 67 12.003 6.008 4.274 527 H ASP 68 HN ASP 68 15.329 10.004 5.117 528 HA ASP 68 HA ASP 68 16.419 9.650 7.602 529 1HB ASP 68 HB2 ASP 68 16.885 11.594 5.318 530 2HB ASP 68 HB1 ASP 68 18.005 11.401 6.636 531 H ALA 69 HN ALA 69 14.976 12.365 6.180 532 HA ALA 69 HA ALA 69 15.215 14.200 8.401 533 1HB ALA 69 HB1 ALA 69 13.064 14.142 6.197 534 2HB ALA 69 HB2 ALA 69 14.599 14.964 6.074 535 3HB ALA 69 HB3 ALA 69 13.406 15.528 7.222 536 H MET 70 HN MET 70 12.295 12.272 7.307 537 HA MET 70 HA MET 70 10.706 12.769 9.401 538 1HB MET 70 HB2 MET 70 11.344 10.416 7.667 539 2HB MET 70 HB1 MET 70 10.274 10.105 8.965 540 1HG MET 70 HG2 MET 70 9.293 12.505 7.768 541 2HG MET 70 HG1 MET 70 10.005 11.641 6.442 542 1HE MET 70 HE1 MET 70 7.425 9.499 5.157 543 2HE MET 70 HE2 MET 70 9.033 10.159 5.059 544 3HE MET 70 HE3 MET 70 7.617 11.240 4.907 545 H LYS 71 HN LYS 71 13.036 10.216 9.304 546 HA LYS 71 HA LYS 71 12.772 9.281 11.896 547 1HB LYS 71 HB2 LYS 71 14.215 8.566 9.676 548 2HB LYS 71 HB1 LYS 71 15.517 9.092 10.714 549 1HG LYS 71 HG2 LYS 71 13.282 7.221 11.333 550 2HG LYS 71 HG1 LYS 71 14.940 6.720 11.048 551 1HD LYS 71 HD2 LYS 71 15.738 7.952 13.130 552 2HD LYS 71 HD1 LYS 71 14.132 8.527 13.456 553 1HE LYS 71 HE2 LYS 71 14.785 5.623 13.444 554 2HE LYS 71 HE1 LYS 71 14.811 6.648 14.879 555 1HZ LYS 71 HZ1 LYS 71 12.416 7.133 13.470 556 2HZ LYS 71 HZ2 LYS 71 12.557 6.424 15.005 557 3HZ LYS 71 HZ3 LYS 71 12.526 5.457 13.632 558 H ALA 72 HN ALA 72 15.497 11.360 10.763 559 HA ALA 72 HA ALA 72 16.697 11.759 13.184 560 1HB ALA 72 HB1 ALA 72 17.577 12.406 10.927 561 2HB ALA 72 HB2 ALA 72 17.627 13.784 12.002 562 3HB ALA 72 HB3 ALA 72 16.358 13.656 10.790 563 H TYR 73 HN TYR 73 14.017 13.462 11.643 564 HA TYR 73 HA TYR 73 13.620 15.544 13.505 565 1HB TYR 73 HB2 TYR 73 12.592 15.275 11.244 566 2HB TYR 73 HB1 TYR 73 11.641 13.950 11.808 567 HD1 TYR 73 HD1 TYR 73 11.683 17.323 11.188 568 HD2 TYR 73 HD2 TYR 73 10.032 14.537 13.941 569 HE1 TYR 73 HE1 TYR 73 9.900 18.892 11.745 570 HE2 TYR 73 HE2 TYR 73 8.253 16.137 14.468 571 HH TYR 73 HH TYR 73 8.035 18.730 14.339 572 H ILE 74 HN ILE 74 12.010 12.479 13.262 573 HA ILE 74 HA ILE 74 10.560 12.481 15.704 574 HB ILE 74 HB ILE 74 12.030 10.018 14.649 575 1HG1 ILE 74 HG12 ILE 74 9.094 10.695 14.345 576 2HG1 ILE 74 HG11 ILE 74 10.231 11.309 13.176 577 1HG2 ILE 74 HG21 ILE 74 10.290 8.815 16.028 578 2HG2 ILE 74 HG22 ILE 74 9.631 10.352 16.562 579 3HG2 ILE 74 HG23 ILE 74 11.234 9.840 17.078 580 1HD1 ILE 74 HD1 ILE 74 9.314 9.115 12.427 581 2HD1 ILE 74 HD2 ILE 74 9.927 8.372 13.908 582 3HD1 ILE 74 HD3 ILE 74 11.020 9.008 12.725 583 H ASP 75 HN ASP 75 13.853 11.153 15.365 584 HA ASP 75 HA ASP 75 14.289 10.625 18.084 585 1HB ASP 75 HB2 ASP 75 16.124 11.370 15.750 586 2HB ASP 75 HB1 ASP 75 16.680 10.718 17.267 587 H LYS 76 HN LYS 76 15.030 13.501 16.196 588 HA LYS 76 HA LYS 76 16.139 15.094 18.259 589 1HB LYS 76 HB2 LYS 76 15.452 15.394 15.493 590 2HB LYS 76 HB1 LYS 76 14.581 16.665 16.270 591 1HG LYS 76 HG2 LYS 76 17.568 16.211 16.729 592 2HG LYS 76 HG1 LYS 76 16.965 17.283 15.499 593 1HD LYS 76 HD2 LYS 76 15.726 18.599 17.307 594 2HD LYS 76 HD1 LYS 76 16.468 17.578 18.503 595 1HE LYS 76 HE2 LYS 76 17.814 19.533 18.482 596 2HE LYS 76 HE1 LYS 76 18.736 18.327 17.611 597 1HZ LYS 76 HZ1 LYS 76 17.661 20.801 16.719 598 2HZ LYS 76 HZ2 LYS 76 17.124 19.573 15.698 599 3HZ LYS 76 HZ3 LYS 76 18.805 19.803 15.890 600 H VAL 77 HN VAL 77 12.782 14.546 17.320 601 HA VAL 77 HA VAL 77 11.717 16.532 19.193 602 HB VAL 77 HB VAL 77 10.374 14.169 17.787 603 1HG1 VAL 77 HG11 VAL 77 9.160 14.905 19.885 604 2HG1 VAL 77 HG12 VAL 77 8.267 15.351 18.434 605 3HG1 VAL 77 HG13 VAL 77 9.205 16.554 19.300 606 1HG2 VAL 77 HG21 VAL 77 9.441 15.992 16.375 607 2HG2 VAL 77 HG22 VAL 77 11.190 16.023 16.284 608 3HG2 VAL 77 HG23 VAL 77 10.326 17.196 17.272 609 H GLU 78 HN GLU 78 12.052 13.027 19.223 610 HA GLU 78 HA GLU 78 11.040 12.309 21.749 611 1HB GLU 78 HB2 GLU 78 12.157 10.964 19.727 612 2HB GLU 78 HB1 GLU 78 13.660 11.183 20.585 613 1HG GLU 78 HG2 GLU 78 11.167 9.759 21.657 614 2HG GLU 78 HG1 GLU 78 12.580 8.931 21.057 615 H GLU 79 HN GLU 79 14.288 13.642 20.761 616 HA GLU 79 HA GLU 79 15.351 13.847 23.351 617 1HB GLU 79 HB2 GLU 79 15.822 15.296 20.669 618 2HB GLU 79 HB1 GLU 79 16.760 15.716 22.071 619 1HG GLU 79 HG2 GLU 79 16.653 12.835 21.026 620 2HG GLU 79 HG1 GLU 79 17.858 13.995 20.485 621 H LEU 80 HN LEU 80 13.675 16.286 21.308 622 HA LEU 80 HA LEU 80 13.560 18.350 23.232 623 1HB LEU 80 HB2 LEU 80 11.193 17.505 21.504 624 2HB LEU 80 HB1 LEU 80 11.371 19.073 22.250 625 HG LEU 80 HG LEU 80 12.963 17.917 19.937 626 1HD1 LEU 80 HD11 LEU 80 11.991 19.900 18.826 627 2HD1 LEU 80 HD12 LEU 80 11.214 20.347 20.336 628 3HD1 LEU 80 HD13 LEU 80 10.735 18.873 19.498 629 1HD2 LEU 80 HD21 LEU 80 14.235 19.895 19.856 630 2HD2 LEU 80 HD22 LEU 80 14.503 19.209 21.421 631 3HD2 LEU 80 HD23 LEU 80 13.431 20.600 21.249 632 H LYS 81 HN LYS 81 11.257 15.749 23.090 633 HA LYS 81 HA LYS 81 9.860 16.720 25.406 634 1HB LYS 81 HB2 LYS 81 8.900 15.387 23.944 635 2HB LYS 81 HB1 LYS 81 10.112 14.107 23.881 636 1HG LYS 81 HG2 LYS 81 9.263 13.326 26.135 637 2HG LYS 81 HG1 LYS 81 8.255 14.759 26.267 638 1HD LYS 81 HD2 LYS 81 6.858 12.848 25.523 639 2HD LYS 81 HD1 LYS 81 6.908 14.101 24.307 640 1HE LYS 81 HE2 LYS 81 8.788 12.671 23.156 641 2HE LYS 81 HE1 LYS 81 8.352 11.401 24.290 642 1HZ LYS 81 HZ1 LYS 81 6.498 10.932 23.010 643 2HZ LYS 81 HZ2 LYS 81 6.917 12.101 21.888 644 3HZ LYS 81 HZ3 LYS 81 5.969 12.496 23.113 645 H LYS 82 HN LYS 82 12.682 14.565 25.080 646 HA LYS 82 HA LYS 82 12.771 13.971 27.923 647 1HB LYS 82 HB2 LYS 82 15.027 14.204 25.830 648 2HB LYS 82 HB1 LYS 82 15.254 13.551 27.439 649 1HG LYS 82 HG2 LYS 82 13.108 12.446 25.574 650 2HG LYS 82 HG1 LYS 82 14.781 11.940 25.459 651 1HD LYS 82 HD2 LYS 82 14.778 11.115 27.779 652 2HD LYS 82 HD1 LYS 82 13.268 11.911 28.139 653 1HE LYS 82 HE2 LYS 82 13.073 9.426 27.846 654 2HE LYS 82 HE1 LYS 82 12.025 10.349 26.771 655 1HZ LYS 82 HZ1 LYS 82 14.104 8.548 25.961 656 2HZ LYS 82 HZ2 LYS 82 14.445 10.156 25.444 657 3HZ LYS 82 HZ3 LYS 82 13.053 9.460 25.014 658 H LYS 83 HN LYS 83 14.354 16.449 26.015 659 HA LYS 83 HA LYS 83 15.661 17.991 27.907 660 1HB LYS 83 HB2 LYS 83 15.899 17.988 25.479 661 2HB LYS 83 HB1 LYS 83 14.348 18.680 25.294 662 1HG LYS 83 HG2 LYS 83 14.881 20.800 26.081 663 2HG LYS 83 HG1 LYS 83 16.332 20.248 26.899 664 1HD LYS 83 HD2 LYS 83 17.330 19.709 24.609 665 2HD LYS 83 HD1 LYS 83 15.837 20.187 23.861 666 1HE LYS 83 HE2 LYS 83 17.599 21.943 23.685 667 2HE LYS 83 HE1 LYS 83 16.141 22.518 24.485 668 1HZ LYS 83 HZ1 LYS 83 17.336 22.956 26.320 669 2HZ LYS 83 HZ2 LYS 83 18.784 22.459 25.577 670 3HZ LYS 83 HZ3 LYS 83 17.820 21.333 26.399 671 H TYR 84 HN TYR 84 12.683 18.678 26.498 672 HA TYR 84 HA TYR 84 12.001 20.894 28.335 673 1HB TYR 84 HB2 TYR 84 10.693 19.788 25.813 674 2HB TYR 84 HB1 TYR 84 9.842 20.905 26.837 675 HD1 TYR 84 HD1 TYR 84 12.306 20.651 24.222 676 HD2 TYR 84 HD2 TYR 84 10.913 23.128 27.376 677 HE1 TYR 84 HE1 TYR 84 13.399 22.628 23.177 678 HE2 TYR 84 HE2 TYR 84 11.981 25.084 26.329 679 HH TYR 84 HH TYR 84 12.607 25.710 24.004 680 H GLY 85 HN GLY 85 11.105 17.494 28.097 681 1HA GLY 85 HA2 GLY 85 9.970 16.359 29.818 682 2HA GLY 85 HA1 GLY 85 9.447 17.878 30.499 683 H ILE 86 HN ILE 86 8.018 19.069 28.542 684 HA ILE 86 HA ILE 86 5.952 17.318 27.482 685 HB ILE 86 HB ILE 86 5.534 17.549 29.905 686 1HG1 ILE 86 HG12 ILE 86 3.516 19.248 28.440 687 2HG1 ILE 86 HG11 ILE 86 3.628 17.531 28.331 688 1HG2 ILE 86 HG21 ILE 86 6.776 19.526 30.506 689 2HG2 ILE 86 HG22 ILE 86 5.128 19.771 31.010 690 3HG2 ILE 86 HG23 ILE 86 5.748 20.568 29.565 691 1HD1 ILE 86 HD1 ILE 86 1.922 18.156 30.048 692 2HD1 ILE 86 HD2 ILE 86 3.140 19.050 30.945 693 3HD1 ILE 86 HD3 ILE 86 3.262 17.306 30.793 Start of MODEL 16 1 1H SER 1 HT1 SER 1 6.213 3.465 10.891 2 2H SER 1 HT2 SER 1 7.840 3.069 11.001 3 3H SER 1 HT3 SER 1 6.801 1.934 10.326 4 HA SER 1 HA SER 1 8.274 3.963 9.087 5 1HB SER 1 HB2 SER 1 6.408 1.821 8.023 6 2HB SER 1 HB1 SER 1 7.610 2.722 7.056 7 HG SER 1 HG1 SER 1 9.144 1.570 8.073 8 H GLN 2 HN GLN 2 7.312 5.785 9.747 9 HA GLN 2 HA GLN 2 6.623 7.809 8.642 10 1HB GLN 2 HB2 GLN 2 5.305 6.572 6.836 11 2HB GLN 2 HB1 GLN 2 3.974 6.418 7.962 12 1HG GLN 2 HG2 GLN 2 4.580 9.148 8.256 13 2HG GLN 2 HG1 GLN 2 5.081 8.901 6.607 14 1HE2 GLN 2 HE21 GLN 2 2.675 10.273 8.036 15 2HE2 GLN 2 HE22 GLN 2 1.390 9.694 7.075 16 H ALA 3 HN ALA 3 3.895 5.963 10.200 17 HA ALA 3 HA ALA 3 2.566 7.979 11.437 18 1HB ALA 3 HB1 ALA 3 3.459 5.319 12.640 19 2HB ALA 3 HB2 ALA 3 2.028 5.582 11.656 20 3HB ALA 3 HB3 ALA 3 2.123 6.279 13.260 21 H GLU 4 HN GLU 4 5.502 6.621 12.604 22 HA GLU 4 HA GLU 4 5.876 7.946 15.034 23 1HB GLU 4 HB2 GLU 4 8.342 7.606 14.536 24 2HB GLU 4 HB1 GLU 4 7.345 6.164 14.450 25 1HG GLU 4 HG2 GLU 4 7.734 7.616 11.814 26 2HG GLU 4 HG1 GLU 4 9.131 6.809 12.460 27 H PHE 5 HN PHE 5 6.421 9.124 11.935 28 HA PHE 5 HA PHE 5 7.789 11.614 12.662 29 1HB PHE 5 HB2 PHE 5 8.171 10.516 10.436 30 2HB PHE 5 HB1 PHE 5 6.447 10.656 10.150 31 HD1 PHE 5 HD1 PHE 5 9.396 12.881 10.989 32 HD2 PHE 5 HD2 PHE 5 5.606 12.451 9.085 33 HE1 PHE 5 HE1 PHE 5 9.626 15.137 10.046 34 HE2 PHE 5 HE2 PHE 5 5.784 14.634 8.164 35 HZ PHE 5 HZ PHE 5 7.819 16.043 8.600 36 H ASP 6 HN ASP 6 4.527 10.769 11.325 37 HA ASP 6 HA ASP 6 3.310 13.230 11.473 38 1HB ASP 6 HB2 ASP 6 2.204 10.487 12.313 39 2HB ASP 6 HB1 ASP 6 1.308 11.850 11.682 40 H LYS 7 HN LYS 7 3.535 10.774 13.839 41 HA LYS 7 HA LYS 7 2.456 12.045 16.094 42 1HB LYS 7 HB2 LYS 7 3.273 9.592 15.692 43 2HB LYS 7 HB1 LYS 7 4.869 10.152 16.114 44 1HG LYS 7 HG2 LYS 7 3.872 9.151 18.077 45 2HG LYS 7 HG1 LYS 7 4.040 10.872 18.333 46 1HD LYS 7 HD2 LYS 7 1.407 10.249 17.093 47 2HD LYS 7 HD1 LYS 7 1.594 9.328 18.559 48 1HE LYS 7 HE2 LYS 7 1.902 12.347 18.266 49 2HE LYS 7 HE1 LYS 7 0.576 11.504 19.047 50 1HZ LYS 7 HZ1 LYS 7 1.820 11.602 20.903 51 2HZ LYS 7 HZ2 LYS 7 3.132 12.111 20.075 52 3HZ LYS 7 HZ3 LYS 7 2.902 10.436 20.187 53 H ALA 8 HN ALA 8 5.979 12.048 15.002 54 HA ALA 8 HA ALA 8 6.738 13.864 17.040 55 1HB ALA 8 HB1 ALA 8 8.260 12.513 15.635 56 2HB ALA 8 HB2 ALA 8 8.745 14.190 15.558 57 3HB ALA 8 HB3 ALA 8 7.847 13.465 14.225 58 H ALA 9 HN ALA 9 5.631 14.532 13.903 59 HA ALA 9 HA ALA 9 5.902 17.398 13.831 60 1HB ALA 9 HB1 ALA 9 4.304 17.297 11.914 61 2HB ALA 9 HB2 ALA 9 3.883 15.656 12.364 62 3HB ALA 9 HB3 ALA 9 5.511 16.022 11.799 63 H GLU 10 HN GLU 10 3.078 15.401 14.746 64 HA GLU 10 HA GLU 10 1.499 17.716 15.369 65 1HB GLU 10 HB2 GLU 10 1.125 14.750 16.140 66 2HB GLU 10 HB1 GLU 10 -0.114 15.994 16.175 67 1HG GLU 10 HG2 GLU 10 1.214 14.815 13.688 68 2HG GLU 10 HG1 GLU 10 -0.482 14.832 14.092 69 H GLU 11 HN GLU 11 3.488 15.359 17.355 70 HA GLU 11 HA GLU 11 2.644 16.552 19.776 71 1HB GLU 11 HB2 GLU 11 5.169 15.141 18.791 72 2HB GLU 11 HB1 GLU 11 4.990 15.630 20.440 73 1HG GLU 11 HG2 GLU 11 2.959 13.860 19.104 74 2HG GLU 11 HG1 GLU 11 4.417 13.230 19.899 75 H VAL 12 HN VAL 12 5.365 17.312 17.543 76 HA VAL 12 HA VAL 12 6.509 19.408 19.029 77 HB VAL 12 HB VAL 12 6.896 18.378 16.505 78 1HG1 VAL 12 HG11 VAL 12 6.276 21.359 16.099 79 2HG1 VAL 12 HG12 VAL 12 5.372 20.019 15.390 80 3HG1 VAL 12 HG13 VAL 12 7.024 20.288 14.929 81 1HG2 VAL 12 HG21 VAL 12 8.634 19.154 17.989 82 2HG2 VAL 12 HG22 VAL 12 8.118 20.829 17.783 83 3HG2 VAL 12 HG23 VAL 12 8.790 19.936 16.430 84 H LYS 13 HN LYS 13 3.878 19.667 16.598 85 HA LYS 13 HA LYS 13 3.300 22.376 16.902 86 1HB LYS 13 HB2 LYS 13 1.435 19.997 16.458 87 2HB LYS 13 HB1 LYS 13 0.931 21.657 16.226 88 1HG LYS 13 HG2 LYS 13 3.346 20.485 14.792 89 2HG LYS 13 HG1 LYS 13 1.735 20.317 14.140 90 1HD LYS 13 HD2 LYS 13 1.517 22.807 14.103 91 2HD LYS 13 HD1 LYS 13 3.122 22.972 14.810 92 1HE LYS 13 HE2 LYS 13 4.184 21.974 12.896 93 2HE LYS 13 HE1 LYS 13 2.637 21.455 12.233 94 1HZ LYS 13 HZ1 LYS 13 2.497 24.234 12.705 95 2HZ LYS 13 HZ2 LYS 13 2.424 23.409 11.228 96 3HZ LYS 13 HZ3 LYS 13 3.921 23.961 11.806 97 H HIS 14 HN HIS 14 3.131 20.213 19.393 98 HA HIS 14 HA HIS 14 1.503 22.060 21.045 99 1HB HIS 14 HB2 HIS 14 1.228 19.026 21.050 100 2HB HIS 14 HB1 HIS 14 0.300 20.134 22.045 101 HD1 HIS 14 HD1 HIS 14 0.655 18.995 18.557 102 HD2 HIS 14 HD2 HIS 14 -1.782 21.493 20.691 103 HE1 HIS 14 HE1 HIS 14 -1.280 19.573 17.063 104 H LEU 15 HN LEU 15 4.568 21.357 20.900 105 HA LEU 15 HA LEU 15 5.082 19.889 23.347 106 1HB LEU 15 HB2 LEU 15 6.861 22.204 22.378 107 2HB LEU 15 HB1 LEU 15 7.346 20.886 23.401 108 HG LEU 15 HG LEU 15 6.593 20.694 20.492 109 1HD1 LEU 15 HD11 LEU 15 9.184 20.174 21.969 110 2HD1 LEU 15 HD12 LEU 15 8.875 21.552 20.919 111 3HD1 LEU 15 HD13 LEU 15 8.937 19.935 20.254 112 1HD2 LEU 15 HD21 LEU 15 5.852 18.620 21.690 113 2HD2 LEU 15 HD22 LEU 15 7.446 18.472 22.430 114 3HD2 LEU 15 HD23 LEU 15 7.251 18.250 20.705 115 H LYS 16 HN LYS 16 5.666 20.665 25.543 116 HA LYS 16 HA LYS 16 3.919 22.744 26.403 117 1HB LYS 16 HB2 LYS 16 4.331 20.785 27.721 118 2HB LYS 16 HB1 LYS 16 6.069 21.017 27.657 119 1HG LYS 16 HG2 LYS 16 5.995 22.899 29.155 120 2HG LYS 16 HG1 LYS 16 4.238 22.907 29.138 121 1HD LYS 16 HD2 LYS 16 5.762 20.351 29.867 122 2HD LYS 16 HD1 LYS 16 5.525 21.541 31.121 123 1HE LYS 16 HE2 LYS 16 3.286 20.339 29.423 124 2HE LYS 16 HE1 LYS 16 3.733 19.717 31.006 125 1HZ LYS 16 HZ1 LYS 16 2.098 21.913 30.362 126 2HZ LYS 16 HZ2 LYS 16 3.467 22.520 31.176 127 3HZ LYS 16 HZ3 LYS 16 2.492 21.342 31.917 128 H THR 17 HN THR 17 7.290 22.756 25.878 129 HA THR 17 HA THR 17 7.364 25.715 26.439 130 HB THR 17 HB THR 17 9.448 23.609 27.148 131 HG1 THR 17 HG1 THR 17 8.703 24.825 29.289 132 1HG2 THR 17 HG21 THR 17 9.482 26.583 27.822 133 2HG2 THR 17 HG22 THR 17 10.632 25.765 26.746 134 3HG2 THR 17 HG23 THR 17 10.594 25.370 28.432 135 H LYS 18 HN LYS 18 9.600 26.531 25.424 136 HA LYS 18 HA LYS 18 9.487 25.714 22.564 137 1HB LYS 18 HB2 LYS 18 9.111 28.103 23.091 138 2HB LYS 18 HB1 LYS 18 10.701 28.199 23.818 139 1HG LYS 18 HG2 LYS 18 11.578 27.359 21.430 140 2HG LYS 18 HG1 LYS 18 10.002 27.835 20.865 141 1HD LYS 18 HD2 LYS 18 10.382 30.161 21.472 142 2HD LYS 18 HD1 LYS 18 11.789 29.754 22.440 143 1HE LYS 18 HE2 LYS 18 12.998 29.025 20.318 144 2HE LYS 18 HE1 LYS 18 11.585 29.532 19.406 145 1HZ LYS 18 HZ1 LYS 18 13.715 31.117 20.399 146 2HZ LYS 18 HZ2 LYS 18 12.247 31.736 20.996 147 3HZ LYS 18 HZ3 LYS 18 12.595 31.535 19.302 148 HA PRO 19 HA PRO 19 13.614 23.955 23.014 149 1HB PRO 19 HB2 PRO 19 13.899 22.791 20.590 150 2HB PRO 19 HB1 PRO 19 12.636 22.212 21.656 151 1HG PRO 19 HG2 PRO 19 12.327 24.377 19.500 152 2HG PRO 19 HG1 PRO 19 11.446 22.845 19.597 153 1HD PRO 19 HD2 PRO 19 10.377 25.106 20.696 154 2HD PRO 19 HD1 PRO 19 10.223 23.585 21.605 155 H ALA 20 HN ALA 20 15.768 24.393 21.695 156 HA ALA 20 HA ALA 20 16.072 27.256 21.506 157 1HB ALA 20 HB1 ALA 20 17.987 25.692 21.907 158 2HB ALA 20 HB2 ALA 20 18.315 26.765 20.565 159 3HB ALA 20 HB3 ALA 20 17.890 25.100 20.265 160 H ASP 21 HN ASP 21 16.127 28.777 19.531 161 HA ASP 21 HA ASP 21 14.280 28.257 17.570 162 1HB ASP 21 HB2 ASP 21 16.765 29.985 17.617 163 2HB ASP 21 HB1 ASP 21 15.536 30.107 16.356 164 H GLU 22 HN GLU 22 17.746 27.473 17.524 165 HA GLU 22 HA GLU 22 17.773 26.446 14.883 166 1HB GLU 22 HB2 GLU 22 19.388 25.379 17.302 167 2HB GLU 22 HB1 GLU 22 19.831 25.164 15.623 168 1HG GLU 22 HG2 GLU 22 21.282 26.921 16.403 169 2HG GLU 22 HG1 GLU 22 20.043 27.799 15.548 170 H GLU 23 HN GLU 23 16.720 24.890 17.944 171 HA GLU 23 HA GLU 23 16.473 22.257 16.837 172 1HB GLU 23 HB2 GLU 23 14.994 23.666 19.120 173 2HB GLU 23 HB1 GLU 23 14.842 21.949 18.816 174 1HG GLU 23 HG2 GLU 23 17.436 23.341 19.563 175 2HG GLU 23 HG1 GLU 23 16.470 22.325 20.641 176 H MET 24 HN MET 24 14.164 24.722 17.458 177 HA MET 24 HA MET 24 11.969 23.359 16.112 178 1HB MET 24 HB2 MET 24 10.910 25.729 15.954 179 2HB MET 24 HB1 MET 24 11.406 25.218 17.545 180 1HG MET 24 HG2 MET 24 13.323 26.517 17.523 181 2HG MET 24 HG1 MET 24 13.149 26.927 15.836 182 1HE MET 24 HE1 MET 24 11.308 28.393 14.839 183 2HE MET 24 HE2 MET 24 12.830 29.197 15.324 184 3HE MET 24 HE3 MET 24 11.285 29.965 15.639 185 H LEU 25 HN LEU 25 14.468 25.661 14.745 186 HA LEU 25 HA LEU 25 13.510 25.655 12.120 187 1HB LEU 25 HB2 LEU 25 16.125 26.056 13.570 188 2HB LEU 25 HB1 LEU 25 16.163 25.999 11.840 189 HG LEU 25 HG LEU 25 14.260 27.924 13.307 190 1HD1 LEU 25 HD11 LEU 25 17.070 28.409 12.210 191 2HD1 LEU 25 HD12 LEU 25 16.680 28.307 13.911 192 3HD1 LEU 25 HD13 LEU 25 16.015 29.604 12.951 193 1HD2 LEU 25 HD21 LEU 25 15.425 27.885 10.509 194 2HD2 LEU 25 HD22 LEU 25 14.254 29.034 11.149 195 3HD2 LEU 25 HD23 LEU 25 13.809 27.346 10.923 196 H PHE 26 HN PHE 26 15.678 23.424 13.834 197 HA PHE 26 HA PHE 26 16.389 21.716 11.656 198 1HB PHE 26 HB2 PHE 26 17.241 21.551 14.068 199 2HB PHE 26 HB1 PHE 26 15.716 20.857 14.554 200 HD1 PHE 26 HD1 PHE 26 18.850 20.244 12.819 201 HD2 PHE 26 HD2 PHE 26 15.050 18.590 13.760 202 HE1 PHE 26 HE1 PHE 26 19.666 18.026 12.197 203 HE2 PHE 26 HE2 PHE 26 15.855 16.354 13.120 204 HZ PHE 26 HZ PHE 26 18.170 16.072 12.343 205 H ILE 27 HN ILE 27 13.723 21.418 13.980 206 HA ILE 27 HA ILE 27 12.171 19.415 12.701 207 HB ILE 27 HB ILE 27 11.561 21.825 14.373 208 1HG1 ILE 27 HG12 ILE 27 10.720 20.186 16.051 209 2HG1 ILE 27 HG11 ILE 27 10.937 18.874 14.912 210 1HG2 ILE 27 HG21 ILE 27 9.479 21.726 12.949 211 2HG2 ILE 27 HG22 ILE 27 9.123 21.280 14.581 212 3HG2 ILE 27 HG23 ILE 27 9.274 20.048 13.361 213 1HD1 ILE 27 HD1 ILE 27 13.104 20.626 16.145 214 2HD1 ILE 27 HD2 ILE 27 13.429 19.387 14.943 215 3HD1 ILE 27 HD3 ILE 27 12.813 18.948 16.524 216 H TYR 28 HN TYR 28 11.233 22.716 12.537 217 HA TYR 28 HA TYR 28 9.657 23.066 10.393 218 1HB TYR 28 HB2 TYR 28 10.784 24.978 11.578 219 2HB TYR 28 HB1 TYR 28 12.197 24.710 10.574 220 HD1 TYR 28 HD1 TYR 28 12.093 25.103 8.068 221 HD2 TYR 28 HD2 TYR 28 8.772 25.893 10.624 222 HE1 TYR 28 HE1 TYR 28 10.999 26.336 6.270 223 HE2 TYR 28 HE2 TYR 28 7.691 27.147 8.775 224 HH TYR 28 HH TYR 28 9.164 27.556 5.676 225 H SER 29 HN SER 29 13.214 22.968 9.680 226 HA SER 29 HA SER 29 12.959 22.812 6.912 227 1HB SER 29 HB2 SER 29 15.405 22.405 7.152 228 2HB SER 29 HB1 SER 29 14.904 23.680 8.242 229 HG SER 29 HG1 SER 29 14.907 22.209 9.926 230 H HIS 30 HN HIS 30 13.921 20.310 9.215 231 HA HIS 30 HA HIS 30 14.012 18.249 7.253 232 1HB HIS 30 HB2 HIS 30 13.693 18.297 10.307 233 2HB HIS 30 HB1 HIS 30 13.603 16.753 9.484 234 HD1 HIS 30 HD1 HIS 30 15.783 15.737 9.789 235 HD2 HIS 30 HD2 HIS 30 16.261 19.704 9.042 236 HE1 HIS 30 HE1 HIS 30 18.251 16.138 9.660 237 H TYR 31 HN TYR 31 11.307 19.590 9.018 238 HA TYR 31 HA TYR 31 9.470 17.435 8.368 239 1HB TYR 31 HB2 TYR 31 8.877 19.010 10.236 240 2HB TYR 31 HB1 TYR 31 8.885 20.382 9.154 241 HD1 TYR 31 HD1 TYR 31 7.257 20.291 7.132 242 HD2 TYR 31 HD2 TYR 31 6.966 17.623 10.454 243 HE1 TYR 31 HE1 TYR 31 4.984 19.692 6.460 244 HE2 TYR 31 HE2 TYR 31 4.670 17.049 9.749 245 HH TYR 31 HH TYR 31 3.606 17.459 6.856 246 H LYS 32 HN LYS 32 10.216 20.665 7.034 247 HA LYS 32 HA LYS 32 8.346 20.377 4.799 248 1HB LYS 32 HB2 LYS 32 11.023 21.860 4.542 249 2HB LYS 32 HB1 LYS 32 9.640 21.921 3.519 250 1HG LYS 32 HG2 LYS 32 9.436 22.862 6.344 251 2HG LYS 32 HG1 LYS 32 9.921 23.863 5.026 252 1HD LYS 32 HD2 LYS 32 7.865 23.517 3.814 253 2HD LYS 32 HD1 LYS 32 7.319 22.276 4.944 254 1HE LYS 32 HE2 LYS 32 7.178 23.889 6.746 255 2HE LYS 32 HE1 LYS 32 7.936 25.137 5.760 256 1HZ LYS 32 HZ1 LYS 32 5.157 24.428 5.838 257 2HZ LYS 32 HZ2 LYS 32 5.801 24.162 4.281 258 3HZ LYS 32 HZ3 LYS 32 5.923 25.675 4.977 259 H GLN 33 HN GLN 33 11.868 19.580 4.870 260 HA GLN 33 HA GLN 33 11.700 18.403 2.253 261 1HB GLN 33 HB2 GLN 33 13.732 18.667 4.179 262 2HB GLN 33 HB1 GLN 33 13.564 16.933 4.042 263 1HG GLN 33 HG2 GLN 33 13.981 18.890 1.717 264 2HG GLN 33 HG1 GLN 33 15.191 17.830 2.353 265 1HE2 GLN 33 HE21 GLN 33 13.568 18.171 -0.280 266 2HE2 GLN 33 HE22 GLN 33 13.258 16.590 -0.768 267 H ALA 34 HN ALA 34 11.133 16.781 5.464 268 HA ALA 34 HA ALA 34 10.745 14.220 4.359 269 1HB ALA 34 HB1 ALA 34 11.085 14.715 6.753 270 2HB ALA 34 HB2 ALA 34 9.572 13.837 6.519 271 3HB ALA 34 HB3 ALA 34 9.553 15.569 6.804 272 H THR 35 HN THR 35 8.368 16.795 4.791 273 HA THR 35 HA THR 35 6.335 15.061 3.449 274 HB THR 35 HB THR 35 4.587 16.463 4.512 275 HG1 THR 35 HG1 THR 35 6.867 17.845 5.532 276 1HG2 THR 35 HG21 THR 35 6.924 16.155 6.501 277 2HG2 THR 35 HG22 THR 35 5.937 14.796 6.006 278 3HG2 THR 35 HG23 THR 35 5.204 16.147 6.852 279 H VAL 36 HN VAL 36 7.586 18.206 3.035 280 HA VAL 36 HA VAL 36 5.736 18.735 0.726 281 HB VAL 36 HB VAL 36 7.940 20.493 1.985 282 1HG1 VAL 36 HG11 VAL 36 5.885 21.101 -0.194 283 2HG1 VAL 36 HG12 VAL 36 7.611 20.962 -0.439 284 3HG1 VAL 36 HG13 VAL 36 6.970 22.292 0.508 285 1HG2 VAL 36 HG21 VAL 36 4.890 20.789 2.106 286 2HG2 VAL 36 HG22 VAL 36 6.050 21.881 2.838 287 3HG2 VAL 36 HG23 VAL 36 5.898 20.242 3.436 288 H GLY 37 HN GLY 37 9.070 18.485 1.564 289 1HA GLY 37 HA2 GLY 37 10.620 17.063 0.351 290 2HA GLY 37 HA1 GLY 37 9.817 17.543 -1.135 291 H ASP 38 HN ASP 38 11.545 18.009 -1.969 292 HA ASP 38 HA ASP 38 13.664 19.667 -1.355 293 1HB ASP 38 HB2 ASP 38 12.454 19.548 -4.130 294 2HB ASP 38 HB1 ASP 38 14.131 19.110 -3.744 295 H ILE 39 HN ILE 39 13.601 21.813 -0.815 296 HA ILE 39 HA ILE 39 11.382 23.593 -0.852 297 HB ILE 39 HB ILE 39 13.587 24.000 0.120 298 1HG1 ILE 39 HG12 ILE 39 12.541 26.386 -1.420 299 2HG1 ILE 39 HG11 ILE 39 11.380 25.529 -0.534 300 1HG2 ILE 39 HG21 ILE 39 15.131 25.420 -1.261 301 2HG2 ILE 39 HG22 ILE 39 14.200 25.056 -2.690 302 3HG2 ILE 39 HG23 ILE 39 15.081 23.774 -1.847 303 1HD1 ILE 39 HD1 ILE 39 12.273 27.101 0.948 304 2HD1 ILE 39 HD2 ILE 39 13.947 26.669 0.556 305 3HD1 ILE 39 HD3 ILE 39 12.918 25.590 1.482 306 H ASN 40 HN ASN 40 10.377 24.468 -2.188 307 HA ASN 40 HA ASN 40 10.661 24.035 -5.106 308 1HB ASN 40 HB2 ASN 40 8.518 25.935 -4.663 309 2HB ASN 40 HB1 ASN 40 8.320 24.199 -4.756 310 1HD2 ASN 40 HD21 ASN 40 7.725 26.820 -2.685 311 2HD2 ASN 40 HD22 ASN 40 7.570 25.930 -1.251 312 H THR 41 HN THR 41 9.926 27.007 -3.438 313 HA THR 41 HA THR 41 12.606 28.146 -4.078 314 HB THR 41 HB THR 41 11.599 30.216 -5.037 315 HG1 THR 41 HG1 THR 41 9.237 29.925 -5.380 316 1HG2 THR 41 HG21 THR 41 10.203 27.750 -6.183 317 2HG2 THR 41 HG22 THR 41 11.845 28.188 -6.599 318 3HG2 THR 41 HG23 THR 41 10.515 29.241 -7.081 319 H GLU 42 HN GLU 42 9.564 29.193 -2.760 320 HA GLU 42 HA GLU 42 9.234 30.940 -1.292 321 1HB GLU 42 HB2 GLU 42 10.124 28.365 -0.031 322 2HB GLU 42 HB1 GLU 42 9.605 29.609 1.073 323 1HG GLU 42 HG2 GLU 42 7.338 29.671 0.117 324 2HG GLU 42 HG1 GLU 42 7.734 28.406 -1.033 325 H ARG 43 HN ARG 43 12.175 31.118 -1.647 326 HA ARG 43 HA ARG 43 13.083 32.037 0.860 327 1HB ARG 43 HB2 ARG 43 14.439 31.521 -1.237 328 2HB ARG 43 HB1 ARG 43 14.111 33.177 -1.734 329 1HG ARG 43 HG2 ARG 43 14.801 33.224 1.088 330 2HG ARG 43 HG1 ARG 43 15.938 32.175 0.355 331 1HD ARG 43 HD2 ARG 43 16.297 34.097 -1.346 332 2HD ARG 43 HD1 ARG 43 15.091 35.035 -0.471 333 HE ARG 43 HE ARG 43 17.790 34.297 0.671 334 1HH1 ARG 43 HH11 ARG 43 15.811 34.091 2.562 335 2HH1 ARG 43 HH12 ARG 43 15.771 35.675 3.293 336 1HH2 ARG 43 HH21 ARG 43 17.394 37.059 0.584 337 2HH2 ARG 43 HH22 ARG 43 16.788 37.423 2.182 338 HA PRO 44 HA PRO 44 10.280 35.401 1.826 339 1HB PRO 44 HB2 PRO 44 13.113 36.370 2.361 340 2HB PRO 44 HB1 PRO 44 11.653 36.859 3.233 341 1HG PRO 44 HG2 PRO 44 13.045 34.703 4.149 342 2HG PRO 44 HG1 PRO 44 11.288 34.632 4.121 343 1HD PRO 44 HD2 PRO 44 13.175 33.064 2.407 344 2HD PRO 44 HD1 PRO 44 11.476 32.815 2.614 345 H GLY 45 HN GLY 45 12.877 36.397 -0.142 346 1HA GLY 45 HA2 GLY 45 12.819 37.706 -2.190 347 2HA GLY 45 HA1 GLY 45 11.080 37.786 -2.027 348 H MET 46 HN MET 46 10.617 39.069 0.167 349 HA MET 46 HA MET 46 11.515 41.821 -0.411 350 1HB MET 46 HB2 MET 46 9.480 40.682 1.582 351 2HB MET 46 HB1 MET 46 9.697 42.400 1.284 352 1HG MET 46 HG2 MET 46 8.514 42.305 -0.658 353 2HG MET 46 HG1 MET 46 9.212 40.789 -1.151 354 1HE MET 46 HE1 MET 46 5.655 41.125 1.760 355 2HE MET 46 HE2 MET 46 6.340 42.529 0.961 356 3HE MET 46 HE3 MET 46 7.291 41.611 2.153 357 H LEU 47 HN LEU 47 10.938 40.650 2.845 358 HA LEU 47 HA LEU 47 13.481 41.958 3.712 359 1HB LEU 47 HB2 LEU 47 11.249 40.773 5.464 360 2HB LEU 47 HB1 LEU 47 12.532 41.855 5.968 361 HG LEU 47 HG LEU 47 10.279 42.630 4.093 362 1HD1 LEU 47 HD11 LEU 47 9.646 42.403 6.515 363 2HD1 LEU 47 HD12 LEU 47 9.642 44.084 6.015 364 3HD1 LEU 47 HD13 LEU 47 10.985 43.450 6.949 365 1HD2 LEU 47 HD21 LEU 47 12.571 44.272 5.283 366 2HD2 LEU 47 HD22 LEU 47 11.254 44.914 4.312 367 3HD2 LEU 47 HD23 LEU 47 12.432 43.844 3.586 368 H ASP 48 HN ASP 48 13.634 40.038 6.232 369 HA ASP 48 HA ASP 48 14.297 37.585 4.857 370 1HB ASP 48 HB2 ASP 48 16.213 39.699 5.822 371 2HB ASP 48 HB1 ASP 48 16.590 38.089 6.424 372 H PHE 49 HN PHE 49 14.940 39.207 7.868 373 HA PHE 49 HA PHE 49 14.850 37.931 9.984 374 1HB PHE 49 HB2 PHE 49 12.240 39.499 9.690 375 2HB PHE 49 HB1 PHE 49 13.236 39.371 11.116 376 HD1 PHE 49 HD1 PHE 49 12.728 40.897 7.909 377 HD2 PHE 49 HD2 PHE 49 15.355 40.823 11.250 378 HE1 PHE 49 HE1 PHE 49 13.781 43.005 7.136 379 HE2 PHE 49 HE2 PHE 49 16.399 42.926 10.474 380 HZ PHE 49 HZ PHE 49 15.579 44.003 8.394 381 H LYS 50 HN LYS 50 11.195 37.924 9.524 382 HA LYS 50 HA LYS 50 11.094 35.285 10.457 383 1HB LYS 50 HB2 LYS 50 9.552 37.031 11.229 384 2HB LYS 50 HB1 LYS 50 9.243 37.571 9.592 385 1HG LYS 50 HG2 LYS 50 8.099 35.349 9.148 386 2HG LYS 50 HG1 LYS 50 8.272 34.983 10.865 387 1HD LYS 50 HD2 LYS 50 7.058 37.105 11.440 388 2HD LYS 50 HD1 LYS 50 6.942 37.505 9.737 389 1HE LYS 50 HE2 LYS 50 5.551 35.471 9.351 390 2HE LYS 50 HE1 LYS 50 5.624 35.114 11.073 391 1HZ LYS 50 HZ1 LYS 50 3.893 36.942 9.763 392 2HZ LYS 50 HZ2 LYS 50 4.921 37.827 10.772 393 3HZ LYS 50 HZ3 LYS 50 3.967 36.591 11.414 394 H GLY 51 HN GLY 51 11.381 33.682 9.075 395 1HA GLY 51 HA2 GLY 51 10.468 32.513 7.040 396 2HA GLY 51 HA1 GLY 51 10.651 34.036 6.179 397 H LYS 52 HN LYS 52 13.210 34.877 6.777 398 HA LYS 52 HA LYS 52 14.794 33.261 5.080 399 1HB LYS 52 HB2 LYS 52 16.732 34.529 5.910 400 2HB LYS 52 HB1 LYS 52 15.382 35.569 5.632 401 1HG LYS 52 HG2 LYS 52 15.987 36.455 7.648 402 2HG LYS 52 HG1 LYS 52 14.921 35.202 8.213 403 1HD LYS 52 HD2 LYS 52 16.953 35.322 9.548 404 2HD LYS 52 HD1 LYS 52 16.933 33.765 8.751 405 1HE LYS 52 HE2 LYS 52 18.505 34.535 7.060 406 2HE LYS 52 HE1 LYS 52 18.445 36.167 7.723 407 1HZ LYS 52 HZ1 LYS 52 20.016 35.549 9.207 408 2HZ LYS 52 HZ2 LYS 52 19.990 33.960 8.624 409 3HZ LYS 52 HZ3 LYS 52 18.936 34.414 9.868 410 H ALA 53 HN ALA 53 14.904 33.100 8.658 411 HA ALA 53 HA ALA 53 16.936 31.058 8.740 412 1HB ALA 53 HB1 ALA 53 14.559 31.509 10.656 413 2HB ALA 53 HB2 ALA 53 16.104 32.327 10.750 414 3HB ALA 53 HB3 ALA 53 16.014 30.610 11.048 415 H LYS 54 HN LYS 54 13.500 30.668 9.110 416 HA LYS 54 HA LYS 54 13.179 27.959 8.861 417 1HB LYS 54 HB2 LYS 54 11.391 30.003 7.410 418 2HB LYS 54 HB1 LYS 54 10.849 28.502 8.126 419 1HG LYS 54 HG2 LYS 54 11.841 30.919 9.713 420 2HG LYS 54 HG1 LYS 54 10.197 30.461 9.428 421 1HD LYS 54 HD2 LYS 54 11.757 28.167 10.466 422 2HD LYS 54 HD1 LYS 54 11.852 29.530 11.558 423 1HE LYS 54 HE2 LYS 54 9.268 28.452 10.371 424 2HE LYS 54 HE1 LYS 54 9.881 27.995 11.965 425 1HZ LYS 54 HZ1 LYS 54 9.098 29.917 12.768 426 2HZ LYS 54 HZ2 LYS 54 8.495 30.409 11.263 427 3HZ LYS 54 HZ3 LYS 54 10.116 30.751 11.707 428 H TRP 55 HN TRP 55 13.224 30.172 6.073 429 HA TRP 55 HA TRP 55 12.958 28.217 4.169 430 1HB TRP 55 HB2 TRP 55 12.581 30.731 4.027 431 2HB TRP 55 HB1 TRP 55 14.317 30.938 3.918 432 HD1 TRP 55 HD1 TRP 55 11.331 29.428 2.079 433 HE1 TRP 55 HE1 TRP 55 12.222 28.788 -0.272 434 HE3 TRP 55 HE3 TRP 55 16.304 30.304 2.575 435 HZ2 TRP 55 HZ2 TRP 55 14.521 28.709 -1.732 436 HZ3 TRP 55 HZ3 TRP 55 17.831 29.878 0.715 437 HH2 TRP 55 HH2 TRP 55 16.899 29.112 -1.502 438 H ASP 56 HN ASP 56 15.727 30.081 4.981 439 HA ASP 56 HA ASP 56 17.567 28.599 3.443 440 1HB ASP 56 HB2 ASP 56 17.753 30.405 5.885 441 2HB ASP 56 HB1 ASP 56 19.173 29.440 5.512 442 H ALA 57 HN ALA 57 16.649 27.931 6.796 443 HA ALA 57 HA ALA 57 18.226 25.681 7.175 444 1HB ALA 57 HB1 ALA 57 15.473 26.436 8.261 445 2HB ALA 57 HB2 ALA 57 17.014 26.965 8.926 446 3HB ALA 57 HB3 ALA 57 16.546 25.266 9.021 447 H TRP 58 HN TRP 58 15.059 26.052 5.523 448 HA TRP 58 HA TRP 58 14.845 23.092 5.200 449 1HB TRP 58 HB2 TRP 58 12.819 24.432 5.395 450 2HB TRP 58 HB1 TRP 58 13.321 25.424 4.048 451 HD1 TRP 58 HD1 TRP 58 14.076 21.579 3.366 452 HE1 TRP 58 HE1 TRP 58 12.255 21.003 1.630 453 HE3 TRP 58 HE3 TRP 58 11.049 25.640 3.576 454 HZ2 TRP 58 HZ2 TRP 58 9.964 21.950 0.453 455 HZ3 TRP 58 HZ3 TRP 58 9.025 25.767 2.183 456 HH2 TRP 58 HH2 TRP 58 8.517 23.967 0.604 457 H ASN 59 HN ASN 59 15.325 25.934 2.791 458 HA ASN 59 HA ASN 59 15.909 24.621 0.558 459 1HB ASN 59 HB2 ASN 59 16.043 27.002 0.518 460 2HB ASN 59 HB1 ASN 59 16.948 27.071 2.009 461 1HD2 ASN 59 HD21 ASN 59 18.984 27.976 1.623 462 2HD2 ASN 59 HD22 ASN 59 19.863 27.558 0.222 463 H GLU 60 HN GLU 60 18.086 25.093 3.194 464 HA GLU 60 HA GLU 60 20.486 24.005 2.424 465 1HB GLU 60 HB2 GLU 60 19.975 24.996 4.646 466 2HB GLU 60 HB1 GLU 60 19.020 23.591 5.055 467 1HG GLU 60 HG2 GLU 60 20.971 22.134 5.084 468 2HG GLU 60 HG1 GLU 60 21.987 23.372 4.373 469 H LEU 61 HN LEU 61 17.647 22.299 2.946 470 HA LEU 61 HA LEU 61 18.710 19.563 2.721 471 1HB LEU 61 HB2 LEU 61 15.948 20.509 3.458 472 2HB LEU 61 HB1 LEU 61 16.527 18.871 3.566 473 HG LEU 61 HG LEU 61 17.692 21.176 5.180 474 1HD1 LEU 61 HD11 LEU 61 15.307 20.574 5.704 475 2HD1 LEU 61 HD12 LEU 61 16.419 20.151 7.000 476 3HD1 LEU 61 HD13 LEU 61 15.801 18.906 5.912 477 1HD2 LEU 61 HD21 LEU 61 18.756 19.279 6.420 478 2HD2 LEU 61 HD22 LEU 61 19.291 19.302 4.760 479 3HD2 LEU 61 HD23 LEU 61 18.090 18.119 5.273 480 H LYS 62 HN LYS 62 17.510 21.681 0.298 481 HA LYS 62 HA LYS 62 15.599 20.600 -1.018 482 1HB LYS 62 HB2 LYS 62 17.109 22.472 -1.761 483 2HB LYS 62 HB1 LYS 62 18.304 21.315 -2.264 484 1HG LYS 62 HG2 LYS 62 17.042 20.579 -4.118 485 2HG LYS 62 HG1 LYS 62 15.506 20.863 -3.341 486 1HD LYS 62 HD2 LYS 62 15.976 23.405 -3.687 487 2HD LYS 62 HD1 LYS 62 17.380 22.923 -4.606 488 1HE LYS 62 HE2 LYS 62 15.451 23.361 -6.105 489 2HE LYS 62 HE1 LYS 62 15.933 21.672 -6.199 490 1HZ LYS 62 HZ1 LYS 62 14.022 22.017 -4.109 491 2HZ LYS 62 HZ2 LYS 62 13.814 21.076 -5.503 492 3HZ LYS 62 HZ3 LYS 62 13.382 22.717 -5.408 493 H GLY 63 HN GLY 63 18.479 18.482 -1.227 494 1HA GLY 63 HA2 GLY 63 16.595 16.695 -2.679 495 2HA GLY 63 HA1 GLY 63 18.324 16.752 -2.978 496 H THR 64 HN THR 64 17.332 17.076 0.161 497 HA THR 64 HA THR 64 18.746 14.914 1.339 498 HB THR 64 HB THR 64 16.181 16.129 2.506 499 HG1 THR 64 HG1 THR 64 17.457 17.840 2.317 500 1HG2 THR 64 HG21 THR 64 18.755 15.147 3.843 501 2HG2 THR 64 HG22 THR 64 17.227 14.260 3.947 502 3HG2 THR 64 HG23 THR 64 17.366 15.844 4.648 503 H SER 65 HN SER 65 17.763 13.047 2.670 504 HA SER 65 HA SER 65 15.932 11.490 0.885 505 1HB SER 65 HB2 SER 65 17.939 10.732 3.097 506 2HB SER 65 HB1 SER 65 16.722 9.566 2.585 507 HG SER 65 HG1 SER 65 18.018 10.852 0.487 508 H LYS 66 HN LYS 66 13.758 11.687 1.502 509 HA LYS 66 HA LYS 66 12.855 13.115 3.673 510 1HB LYS 66 HB2 LYS 66 11.597 10.835 2.043 511 2HB LYS 66 HB1 LYS 66 10.683 11.901 3.119 512 1HG LYS 66 HG2 LYS 66 10.866 13.731 1.832 513 2HG LYS 66 HG1 LYS 66 12.536 13.469 1.409 514 1HD LYS 66 HD2 LYS 66 11.680 11.701 -0.288 515 2HD LYS 66 HD1 LYS 66 10.060 12.315 0.053 516 1HE LYS 66 HE2 LYS 66 10.797 14.613 -0.488 517 2HE LYS 66 HE1 LYS 66 12.437 14.060 -0.761 518 1HZ LYS 66 HZ1 LYS 66 10.367 14.194 -2.635 519 2HZ LYS 66 HZ2 LYS 66 10.653 12.529 -2.438 520 3HZ LYS 66 HZ3 LYS 66 11.898 13.591 -2.877 521 H GLU 67 HN GLU 67 13.609 9.625 3.645 522 HA GLU 67 HA GLU 67 12.528 9.109 6.206 523 1HB GLU 67 HB2 GLU 67 13.966 7.663 4.162 524 2HB GLU 67 HB1 GLU 67 14.829 7.388 5.640 525 1HG GLU 67 HG2 GLU 67 12.511 6.780 6.731 526 2HG GLU 67 HG1 GLU 67 11.819 6.962 5.147 527 H ASP 68 HN ASP 68 15.935 10.104 5.293 528 HA ASP 68 HA ASP 68 17.058 9.875 7.830 529 1HB ASP 68 HB2 ASP 68 17.437 11.765 5.485 530 2HB ASP 68 HB1 ASP 68 18.574 11.664 6.791 531 H ALA 69 HN ALA 69 15.432 12.361 6.272 532 HA ALA 69 HA ALA 69 15.453 14.416 8.296 533 1HB ALA 69 HB1 ALA 69 14.805 14.763 5.890 534 2HB ALA 69 HB2 ALA 69 13.575 15.424 6.958 535 3HB ALA 69 HB3 ALA 69 13.320 13.885 6.148 536 H MET 70 HN MET 70 12.652 12.156 7.424 537 HA MET 70 HA MET 70 11.095 12.532 9.594 538 1HB MET 70 HB2 MET 70 11.873 10.155 7.919 539 2HB MET 70 HB1 MET 70 10.668 10.010 9.125 540 1HG MET 70 HG2 MET 70 9.378 11.826 7.963 541 2HG MET 70 HG1 MET 70 10.715 12.109 6.909 542 1HE MET 70 HE1 MET 70 8.883 8.279 7.394 543 2HE MET 70 HE2 MET 70 7.452 9.114 6.753 544 3HE MET 70 HE3 MET 70 8.247 9.730 8.183 545 H LYS 71 HN LYS 71 13.461 10.002 9.394 546 HA LYS 71 HA LYS 71 13.439 8.923 11.939 547 1HB LYS 71 HB2 LYS 71 15.798 9.389 10.067 548 2HB LYS 71 HB1 LYS 71 15.963 8.416 11.503 549 1HG LYS 71 HG2 LYS 71 14.352 6.779 10.650 550 2HG LYS 71 HG1 LYS 71 14.029 7.786 9.246 551 1HD LYS 71 HD2 LYS 71 16.409 7.577 8.514 552 2HD LYS 71 HD1 LYS 71 16.841 6.795 10.009 553 1HE LYS 71 HE2 LYS 71 16.758 5.219 8.063 554 2HE LYS 71 HE1 LYS 71 15.668 4.750 9.360 555 1HZ LYS 71 HZ1 LYS 71 15.038 5.519 6.671 556 2HZ LYS 71 HZ2 LYS 71 14.269 6.537 7.750 557 3HZ LYS 71 HZ3 LYS 71 13.991 4.847 7.765 558 H ALA 72 HN ALA 72 15.845 11.357 10.879 559 HA ALA 72 HA ALA 72 16.871 11.991 13.348 560 1HB ALA 72 HB1 ALA 72 16.561 13.649 10.797 561 2HB ALA 72 HB2 ALA 72 17.869 12.545 11.163 562 3HB ALA 72 HB3 ALA 72 17.704 14.018 12.087 563 H TYR 73 HN TYR 73 14.082 13.377 11.695 564 HA TYR 73 HA TYR 73 13.584 15.555 13.454 565 1HB TYR 73 HB2 TYR 73 12.725 15.315 11.125 566 2HB TYR 73 HB1 TYR 73 11.810 13.913 11.581 567 HD1 TYR 73 HD1 TYR 73 9.987 14.238 13.458 568 HD2 TYR 73 HD2 TYR 73 11.783 17.404 11.253 569 HE1 TYR 73 HE1 TYR 73 8.099 15.739 14.011 570 HE2 TYR 73 HE2 TYR 73 9.930 18.855 11.817 571 HH TYR 73 HH TYR 73 7.974 18.395 14.264 572 H ILE 74 HN ILE 74 12.242 12.362 13.251 573 HA ILE 74 HA ILE 74 10.478 12.449 15.480 574 HB ILE 74 HB ILE 74 12.007 10.093 14.300 575 1HG1 ILE 74 HG12 ILE 74 9.100 10.816 13.912 576 2HG1 ILE 74 HG11 ILE 74 10.307 11.562 12.877 577 1HG2 ILE 74 HG21 ILE 74 10.217 8.758 15.414 578 2HG2 ILE 74 HG22 ILE 74 9.516 10.203 16.109 579 3HG2 ILE 74 HG23 ILE 74 11.106 9.648 16.617 580 1HD1 ILE 74 HD1 ILE 74 11.159 9.315 12.245 581 2HD1 ILE 74 HD2 ILE 74 9.448 9.443 11.862 582 3HD1 ILE 74 HD3 ILE 74 9.970 8.567 13.289 583 H ASP 75 HN ASP 75 13.808 11.118 15.321 584 HA ASP 75 HA ASP 75 13.969 10.606 18.091 585 1HB ASP 75 HB2 ASP 75 15.874 11.025 15.758 586 2HB ASP 75 HB1 ASP 75 16.523 10.765 17.351 587 H LYS 76 HN LYS 76 14.676 13.391 16.126 588 HA LYS 76 HA LYS 76 15.824 15.048 18.136 589 1HB LYS 76 HB2 LYS 76 15.355 15.619 15.555 590 2HB LYS 76 HB1 LYS 76 13.848 16.256 16.133 591 1HG LYS 76 HG2 LYS 76 15.207 18.156 16.382 592 2HG LYS 76 HG1 LYS 76 15.389 17.474 17.979 593 1HD LYS 76 HD2 LYS 76 17.435 16.123 16.783 594 2HD LYS 76 HD1 LYS 76 17.297 17.386 15.600 595 1HE LYS 76 HE2 LYS 76 19.030 18.044 17.175 596 2HE LYS 76 HE1 LYS 76 17.645 19.107 17.386 597 1HZ LYS 76 HZ1 LYS 76 17.251 16.833 18.979 598 2HZ LYS 76 HZ2 LYS 76 17.553 18.483 19.470 599 3HZ LYS 76 HZ3 LYS 76 18.772 17.295 19.307 600 H VAL 77 HN VAL 77 12.306 14.753 17.171 601 HA VAL 77 HA VAL 77 11.425 16.408 19.298 602 HB VAL 77 HB VAL 77 10.103 14.029 17.853 603 1HG1 VAL 77 HG11 VAL 77 8.892 16.253 19.608 604 2HG1 VAL 77 HG12 VAL 77 8.964 14.552 20.062 605 3HG1 VAL 77 HG13 VAL 77 7.958 15.064 18.717 606 1HG2 VAL 77 HG21 VAL 77 9.011 15.955 16.558 607 2HG2 VAL 77 HG22 VAL 77 10.751 15.983 16.380 608 3HG2 VAL 77 HG23 VAL 77 9.949 17.097 17.473 609 H GLU 78 HN GLU 78 12.105 12.852 19.201 610 HA GLU 78 HA GLU 78 11.333 12.369 21.908 611 1HB GLU 78 HB2 GLU 78 13.412 11.106 20.101 612 2HB GLU 78 HB1 GLU 78 13.434 10.649 21.786 613 1HG GLU 78 HG2 GLU 78 11.036 10.352 19.873 614 2HG GLU 78 HG1 GLU 78 11.971 9.057 20.595 615 H GLU 79 HN GLU 79 14.553 13.730 20.759 616 HA GLU 79 HA GLU 79 15.808 13.935 23.286 617 1HB GLU 79 HB2 GLU 79 15.874 15.910 20.909 618 2HB GLU 79 HB1 GLU 79 16.947 16.046 22.279 619 1HG GLU 79 HG2 GLU 79 18.047 13.911 21.694 620 2HG GLU 79 HG1 GLU 79 16.886 13.629 20.403 621 H LEU 80 HN LEU 80 13.799 16.208 21.560 622 HA LEU 80 HA LEU 80 13.478 18.079 23.720 623 1HB LEU 80 HB2 LEU 80 11.583 17.623 21.377 624 2HB LEU 80 HB1 LEU 80 11.750 19.107 22.296 625 HG LEU 80 HG LEU 80 13.801 17.865 20.440 626 1HD1 LEU 80 HD11 LEU 80 11.905 19.062 19.391 627 2HD1 LEU 80 HD12 LEU 80 13.403 19.950 19.197 628 3HD1 LEU 80 HD13 LEU 80 12.224 20.462 20.404 629 1HD2 LEU 80 HD21 LEU 80 14.961 18.867 22.396 630 2HD2 LEU 80 HD22 LEU 80 14.076 20.377 22.151 631 3HD2 LEU 80 HD23 LEU 80 15.208 19.813 20.953 632 H LYS 81 HN LYS 81 11.818 15.187 23.100 633 HA LYS 81 HA LYS 81 9.462 15.847 24.661 634 1HB LYS 81 HB2 LYS 81 9.716 13.978 22.994 635 2HB LYS 81 HB1 LYS 81 10.689 13.065 24.137 636 1HG LYS 81 HG2 LYS 81 8.805 13.326 25.804 637 2HG LYS 81 HG1 LYS 81 7.834 14.097 24.562 638 1HD LYS 81 HD2 LYS 81 8.218 11.985 23.110 639 2HD LYS 81 HD1 LYS 81 8.894 11.203 24.505 640 1HE LYS 81 HE2 LYS 81 6.063 12.267 24.148 641 2HE LYS 81 HE1 LYS 81 6.553 10.588 24.321 642 1HZ LYS 81 HZ1 LYS 81 7.621 12.007 26.471 643 2HZ LYS 81 HZ2 LYS 81 6.411 10.841 26.596 644 3HZ LYS 81 HZ3 LYS 81 5.990 12.486 26.398 645 H LYS 82 HN LYS 82 12.478 14.251 25.192 646 HA LYS 82 HA LYS 82 12.161 13.863 28.081 647 1HB LYS 82 HB2 LYS 82 14.725 13.957 26.405 648 2HB LYS 82 HB1 LYS 82 14.607 13.336 28.035 649 1HG LYS 82 HG2 LYS 82 13.193 12.204 25.594 650 2HG LYS 82 HG1 LYS 82 14.643 11.547 26.286 651 1HD LYS 82 HD2 LYS 82 13.194 11.353 28.554 652 2HD LYS 82 HD1 LYS 82 11.831 11.676 27.498 653 1HE LYS 82 HE2 LYS 82 12.019 9.268 27.737 654 2HE LYS 82 HE1 LYS 82 12.475 9.706 26.092 655 1HZ LYS 82 HZ1 LYS 82 14.082 8.397 28.042 656 2HZ LYS 82 HZ2 LYS 82 14.754 9.923 27.720 657 3HZ LYS 82 HZ3 LYS 82 14.476 8.831 26.440 658 H LYS 83 HN LYS 83 14.173 16.101 26.248 659 HA LYS 83 HA LYS 83 15.074 17.671 28.406 660 1HB LYS 83 HB2 LYS 83 15.772 17.515 25.882 661 2HB LYS 83 HB1 LYS 83 14.609 18.759 25.645 662 1HG LYS 83 HG2 LYS 83 15.749 19.992 27.692 663 2HG LYS 83 HG1 LYS 83 17.111 18.955 27.338 664 1HD LYS 83 HD2 LYS 83 17.444 19.804 25.160 665 2HD LYS 83 HD1 LYS 83 15.858 20.497 25.040 666 1HE LYS 83 HE2 LYS 83 18.152 21.494 26.782 667 2HE LYS 83 HE1 LYS 83 17.514 22.274 25.340 668 1HZ LYS 83 HZ1 LYS 83 15.368 21.758 27.107 669 2HZ LYS 83 HZ2 LYS 83 15.923 23.224 26.503 670 3HZ LYS 83 HZ3 LYS 83 16.552 22.619 27.969 671 H TYR 84 HN TYR 84 12.445 18.107 26.343 672 HA TYR 84 HA TYR 84 11.452 20.428 27.950 673 1HB TYR 84 HB2 TYR 84 11.033 19.734 25.017 674 2HB TYR 84 HB1 TYR 84 10.059 20.932 25.831 675 HD1 TYR 84 HD1 TYR 84 11.371 22.604 27.304 676 HD2 TYR 84 HD2 TYR 84 13.052 20.444 24.068 677 HE1 TYR 84 HE1 TYR 84 13.144 24.290 27.109 678 HE2 TYR 84 HE2 TYR 84 14.847 22.134 23.870 679 HH TYR 84 HH TYR 84 14.576 25.068 25.148 680 H GLY 85 HN GLY 85 10.030 17.503 26.573 681 1HA GLY 85 HA2 GLY 85 8.024 16.430 27.172 682 2HA GLY 85 HA1 GLY 85 8.053 17.391 28.636 683 H ILE 86 HN ILE 86 5.961 16.677 27.853 684 HA ILE 86 HA ILE 86 4.397 19.045 26.745 685 HB ILE 86 HB ILE 86 4.426 16.732 25.410 686 1HG1 ILE 86 HG12 ILE 86 1.762 18.173 25.844 687 2HG1 ILE 86 HG11 ILE 86 3.083 18.974 25.024 688 1HG2 ILE 86 HG21 ILE 86 2.029 16.350 27.300 689 2HG2 ILE 86 HG22 ILE 86 3.496 15.406 27.382 690 3HG2 ILE 86 HG23 ILE 86 2.448 15.292 25.968 691 1HD1 ILE 86 HD1 ILE 86 3.114 17.131 23.314 692 2HD1 ILE 86 HD2 ILE 86 1.572 17.982 23.400 693 3HD1 ILE 86 HD3 ILE 86 1.751 16.397 24.140 Start of MODEL 17 1 1H SER 1 HT1 SER 1 7.322 5.226 5.987 2 2H SER 1 HT2 SER 1 8.089 4.117 7.030 3 3H SER 1 HT3 SER 1 8.994 5.327 6.282 4 HA SER 1 HA SER 1 7.742 5.462 8.768 5 1HB SER 1 HB2 SER 1 9.936 6.493 8.229 6 2HB SER 1 HB1 SER 1 9.199 7.547 7.022 7 HG SER 1 HG1 SER 1 9.214 8.808 8.867 8 H GLN 2 HN GLN 2 6.884 7.901 9.166 9 HA GLN 2 HA GLN 2 5.232 9.638 8.268 10 1HB GLN 2 HB2 GLN 2 4.317 8.281 6.442 11 2HB GLN 2 HB1 GLN 2 3.629 7.135 7.555 12 1HG GLN 2 HG2 GLN 2 1.711 8.472 7.211 13 2HG GLN 2 HG1 GLN 2 2.363 9.472 8.475 14 1HE2 GLN 2 HE21 GLN 2 2.497 11.689 7.903 15 2HE2 GLN 2 HE22 GLN 2 2.568 12.196 6.276 16 H ALA 3 HN ALA 3 3.400 6.751 9.727 17 HA ALA 3 HA ALA 3 1.812 8.191 11.389 18 1HB ALA 3 HB1 ALA 3 1.804 6.072 12.795 19 2HB ALA 3 HB2 ALA 3 3.231 5.530 11.948 20 3HB ALA 3 HB3 ALA 3 1.721 5.744 11.076 21 H GLU 4 HN GLU 4 4.909 6.895 12.442 22 HA GLU 4 HA GLU 4 4.982 8.319 14.924 23 1HB GLU 4 HB2 GLU 4 7.519 7.764 13.463 24 2HB GLU 4 HB1 GLU 4 7.173 7.521 15.156 25 1HG GLU 4 HG2 GLU 4 6.532 5.578 12.923 26 2HG GLU 4 HG1 GLU 4 7.070 5.263 14.548 27 H PHE 5 HN PHE 5 7.052 9.180 12.228 28 HA PHE 5 HA PHE 5 7.799 11.694 12.811 29 1HB PHE 5 HB2 PHE 5 8.197 10.665 10.562 30 2HB PHE 5 HB1 PHE 5 6.488 10.873 10.204 31 HD1 PHE 5 HD1 PHE 5 5.552 13.062 9.789 32 HD2 PHE 5 HD2 PHE 5 9.693 12.625 10.632 33 HE1 PHE 5 HE1 PHE 5 5.917 15.316 9.006 34 HE2 PHE 5 HE2 PHE 5 10.087 14.909 9.828 35 HZ PHE 5 HZ PHE 5 8.173 16.269 9.005 36 H ASP 6 HN ASP 6 4.449 11.187 11.433 37 HA ASP 6 HA ASP 6 3.575 13.822 11.821 38 1HB ASP 6 HB2 ASP 6 2.167 11.107 11.962 39 2HB ASP 6 HB1 ASP 6 1.374 12.652 11.805 40 H LYS 7 HN LYS 7 3.356 10.992 13.851 41 HA LYS 7 HA LYS 7 2.243 12.113 16.215 42 1HB LYS 7 HB2 LYS 7 3.297 9.637 15.612 43 2HB LYS 7 HB1 LYS 7 4.543 10.240 16.618 44 1HG LYS 7 HG2 LYS 7 3.208 9.175 18.220 45 2HG LYS 7 HG1 LYS 7 2.803 10.858 18.393 46 1HD LYS 7 HD2 LYS 7 0.802 9.375 18.469 47 2HD LYS 7 HD1 LYS 7 0.665 10.555 17.205 48 1HE LYS 7 HE2 LYS 7 1.720 7.740 16.664 49 2HE LYS 7 HE1 LYS 7 -0.003 8.109 16.580 50 1HZ LYS 7 HZ1 LYS 7 1.955 8.603 14.587 51 2HZ LYS 7 HZ2 LYS 7 1.520 10.079 15.254 52 3HZ LYS 7 HZ3 LYS 7 0.345 9.126 14.539 53 H ALA 8 HN ALA 8 5.496 12.203 14.969 54 HA ALA 8 HA ALA 8 6.653 13.532 17.330 55 1HB ALA 8 HB1 ALA 8 7.746 13.508 14.451 56 2HB ALA 8 HB2 ALA 8 8.069 12.288 15.652 57 3HB ALA 8 HB3 ALA 8 8.684 13.907 15.865 58 H ALA 9 HN ALA 9 5.900 14.658 14.240 59 HA ALA 9 HA ALA 9 6.164 17.495 14.480 60 1HB ALA 9 HB1 ALA 9 3.979 15.997 12.966 61 2HB ALA 9 HB2 ALA 9 5.581 16.351 12.342 62 3HB ALA 9 HB3 ALA 9 4.457 17.668 12.665 63 H GLU 10 HN GLU 10 3.461 15.369 15.463 64 HA GLU 10 HA GLU 10 1.836 17.470 16.417 65 1HB GLU 10 HB2 GLU 10 1.087 15.330 15.411 66 2HB GLU 10 HB1 GLU 10 1.877 14.469 16.708 67 1HG GLU 10 HG2 GLU 10 0.268 14.925 18.263 68 2HG GLU 10 HG1 GLU 10 -0.086 16.521 17.668 69 H GLU 11 HN GLU 11 3.951 14.987 18.101 70 HA GLU 11 HA GLU 11 3.269 15.892 20.673 71 1HB GLU 11 HB2 GLU 11 5.717 14.504 19.479 72 2HB GLU 11 HB1 GLU 11 5.501 14.771 21.175 73 1HG GLU 11 HG2 GLU 11 3.048 13.491 20.196 74 2HG GLU 11 HG1 GLU 11 4.412 12.625 19.561 75 H VAL 12 HN VAL 12 5.837 16.933 18.404 76 HA VAL 12 HA VAL 12 7.134 18.808 20.117 77 HB VAL 12 HB VAL 12 7.605 17.872 17.585 78 1HG1 VAL 12 HG11 VAL 12 7.771 19.781 16.002 79 2HG1 VAL 12 HG12 VAL 12 6.912 20.818 17.107 80 3HG1 VAL 12 HG13 VAL 12 6.105 19.445 16.358 81 1HG2 VAL 12 HG21 VAL 12 9.275 18.803 19.189 82 2HG2 VAL 12 HG22 VAL 12 8.697 20.436 18.868 83 3HG2 VAL 12 HG23 VAL 12 9.519 19.521 17.617 84 H LYS 13 HN LYS 13 4.613 19.349 17.598 85 HA LYS 13 HA LYS 13 4.286 22.118 18.321 86 1HB LYS 13 HB2 LYS 13 2.581 22.077 16.671 87 2HB LYS 13 HB1 LYS 13 3.477 20.672 16.180 88 1HG LYS 13 HG2 LYS 13 1.776 19.399 17.749 89 2HG LYS 13 HG1 LYS 13 0.822 20.842 17.586 90 1HD LYS 13 HD2 LYS 13 0.880 20.583 15.049 91 2HD LYS 13 HD1 LYS 13 1.794 19.102 15.217 92 1HE LYS 13 HE2 LYS 13 -0.187 18.314 16.774 93 2HE LYS 13 HE1 LYS 13 -1.070 19.678 16.148 94 1HZ LYS 13 HZ1 LYS 13 -1.622 18.460 14.354 95 2HZ LYS 13 HZ2 LYS 13 -0.836 17.159 15.017 96 3HZ LYS 13 HZ3 LYS 13 0.010 18.159 13.951 97 H HIS 14 HN HIS 14 3.742 19.425 20.118 98 HA HIS 14 HA HIS 14 1.655 20.620 21.888 99 1HB HIS 14 HB2 HIS 14 0.639 18.543 21.570 100 2HB HIS 14 HB1 HIS 14 2.062 17.905 20.807 101 HD1 HIS 14 HD1 HIS 14 3.971 17.237 22.576 102 HD2 HIS 14 HD2 HIS 14 0.157 17.257 23.988 103 HE1 HIS 14 HE1 HIS 14 3.979 15.834 24.666 104 H LEU 15 HN LEU 15 5.008 20.640 21.922 105 HA LEU 15 HA LEU 15 5.441 19.484 24.597 106 1HB LEU 15 HB2 LEU 15 6.940 21.798 23.190 107 2HB LEU 15 HB1 LEU 15 7.551 20.911 24.556 108 HG LEU 15 HG LEU 15 6.892 19.510 21.958 109 1HD1 LEU 15 HD11 LEU 15 9.321 19.688 21.416 110 2HD1 LEU 15 HD12 LEU 15 9.582 20.727 22.816 111 3HD1 LEU 15 HD13 LEU 15 8.594 21.283 21.469 112 1HD2 LEU 15 HD21 LEU 15 8.552 17.897 22.792 113 2HD2 LEU 15 HD22 LEU 15 7.218 18.069 23.911 114 3HD2 LEU 15 HD23 LEU 15 8.763 18.857 24.250 115 H LYS 16 HN LYS 16 5.286 20.428 26.597 116 HA LYS 16 HA LYS 16 3.430 22.648 26.621 117 1HB LYS 16 HB2 LYS 16 4.935 21.356 28.895 118 2HB LYS 16 HB1 LYS 16 3.415 22.200 29.059 119 1HG LYS 16 HG2 LYS 16 2.451 20.416 27.419 120 2HG LYS 16 HG1 LYS 16 3.917 19.512 27.692 121 1HD LYS 16 HD2 LYS 16 3.332 19.741 30.282 122 2HD LYS 16 HD1 LYS 16 1.784 20.278 29.707 123 1HE LYS 16 HE2 LYS 16 1.560 17.898 30.060 124 2HE LYS 16 HE1 LYS 16 1.581 18.195 28.325 125 1HZ LYS 16 HZ1 LYS 16 4.242 17.907 29.139 126 2HZ LYS 16 HZ2 LYS 16 3.457 16.904 28.133 127 3HZ LYS 16 HZ3 LYS 16 3.413 16.597 29.815 128 H THR 17 HN THR 17 6.835 22.268 26.794 129 HA THR 17 HA THR 17 7.090 25.086 27.708 130 HB THR 17 HB THR 17 9.086 22.802 27.586 131 HG1 THR 17 HG1 THR 17 8.003 22.725 29.543 132 1HG2 THR 17 HG21 THR 17 9.478 25.538 28.822 133 2HG2 THR 17 HG22 THR 17 10.306 25.080 27.327 134 3HG2 THR 17 HG23 THR 17 10.605 24.204 28.816 135 H LYS 18 HN LYS 18 8.794 26.137 26.697 136 HA LYS 18 HA LYS 18 8.557 26.069 23.721 137 1HB LYS 18 HB2 LYS 18 9.471 28.255 25.615 138 2HB LYS 18 HB1 LYS 18 9.447 28.424 23.876 139 1HG LYS 18 HG2 LYS 18 7.013 27.976 23.798 140 2HG LYS 18 HG1 LYS 18 6.984 27.701 25.531 141 1HD LYS 18 HD2 LYS 18 7.700 30.078 25.922 142 2HD LYS 18 HD1 LYS 18 7.921 30.318 24.208 143 1HE LYS 18 HE2 LYS 18 5.831 31.370 24.854 144 2HE LYS 18 HE1 LYS 18 5.485 29.978 23.835 145 1HZ LYS 18 HZ1 LYS 18 4.644 30.442 26.500 146 2HZ LYS 18 HZ2 LYS 18 5.647 29.067 26.472 147 3HZ LYS 18 HZ3 LYS 18 4.256 29.124 25.509 148 HA PRO 19 HA PRO 19 12.813 24.553 23.829 149 1HB PRO 19 HB2 PRO 19 12.909 23.335 21.428 150 2HB PRO 19 HB1 PRO 19 11.760 22.777 22.652 151 1HG PRO 19 HG2 PRO 19 11.182 24.832 20.447 152 2HG PRO 19 HG1 PRO 19 10.372 23.286 20.692 153 1HD PRO 19 HD2 PRO 19 9.377 25.571 21.815 154 2HD PRO 19 HD1 PRO 19 9.295 24.033 22.719 155 H ALA 20 HN ALA 20 14.513 24.710 21.812 156 HA ALA 20 HA ALA 20 14.891 27.664 21.598 157 1HB ALA 20 HB1 ALA 20 17.207 27.109 20.870 158 2HB ALA 20 HB2 ALA 20 16.790 25.399 20.935 159 3HB ALA 20 HB3 ALA 20 16.751 26.367 22.392 160 H ASP 21 HN ASP 21 15.164 28.926 19.871 161 HA ASP 21 HA ASP 21 13.679 28.638 17.553 162 1HB ASP 21 HB2 ASP 21 15.059 30.653 18.624 163 2HB ASP 21 HB1 ASP 21 16.335 30.135 17.533 164 H GLU 22 HN GLU 22 17.228 27.959 17.705 165 HA GLU 22 HA GLU 22 17.478 26.925 15.134 166 1HB GLU 22 HB2 GLU 22 18.838 26.290 17.821 167 2HB GLU 22 HB1 GLU 22 19.299 25.362 16.418 168 1HG GLU 22 HG2 GLU 22 19.405 28.415 16.421 169 2HG GLU 22 HG1 GLU 22 20.765 27.435 16.937 170 H GLU 23 HN GLU 23 16.198 25.204 17.999 171 HA GLU 23 HA GLU 23 16.086 22.674 16.607 172 1HB GLU 23 HB2 GLU 23 14.528 23.742 19.064 173 2HB GLU 23 HB1 GLU 23 14.569 22.048 18.606 174 1HG GLU 23 HG2 GLU 23 17.242 22.392 18.758 175 2HG GLU 23 HG1 GLU 23 16.813 23.787 19.693 176 H MET 24 HN MET 24 13.788 25.233 17.258 177 HA MET 24 HA MET 24 11.477 24.228 15.905 178 1HB MET 24 HB2 MET 24 12.511 27.118 16.017 179 2HB MET 24 HB1 MET 24 10.923 26.705 15.399 180 1HG MET 24 HG2 MET 24 10.534 25.484 17.638 181 2HG MET 24 HG1 MET 24 11.966 26.283 18.218 182 1HE MET 24 HE1 MET 24 12.211 28.599 18.874 183 2HE MET 24 HE2 MET 24 11.224 27.924 20.185 184 3HE MET 24 HE3 MET 24 10.866 29.512 19.501 185 H LEU 25 HN LEU 25 14.232 26.034 14.557 186 HA LEU 25 HA LEU 25 13.456 25.861 11.836 187 1HB LEU 25 HB2 LEU 25 15.867 26.569 13.502 188 2HB LEU 25 HB1 LEU 25 16.160 26.306 11.817 189 HG LEU 25 HG LEU 25 14.000 28.181 12.895 190 1HD1 LEU 25 HD11 LEU 25 16.821 28.835 11.924 191 2HD1 LEU 25 HD12 LEU 25 16.234 28.966 13.572 192 3HD1 LEU 25 HD13 LEU 25 15.562 29.997 12.336 193 1HD2 LEU 25 HD21 LEU 25 13.727 27.358 10.533 194 2HD2 LEU 25 HD22 LEU 25 15.353 27.910 10.169 195 3HD2 LEU 25 HD23 LEU 25 14.113 29.080 10.584 196 H PHE 26 HN PHE 26 15.522 23.769 13.810 197 HA PHE 26 HA PHE 26 16.365 22.100 11.580 198 1HB PHE 26 HB2 PHE 26 17.442 21.937 13.835 199 2HB PHE 26 HB1 PHE 26 15.967 21.284 14.535 200 HD1 PHE 26 HD1 PHE 26 15.198 18.976 13.843 201 HD2 PHE 26 HD2 PHE 26 18.832 20.615 12.350 202 HE1 PHE 26 HE1 PHE 26 15.858 16.756 13.028 203 HE2 PHE 26 HE2 PHE 26 19.489 18.390 11.556 204 HZ PHE 26 HZ PHE 26 18.001 16.465 11.894 205 H ILE 27 HN ILE 27 13.680 21.789 13.918 206 HA ILE 27 HA ILE 27 12.357 19.552 12.713 207 HB ILE 27 HB ILE 27 11.540 21.942 14.365 208 1HG1 ILE 27 HG12 ILE 27 10.786 20.288 16.058 209 2HG1 ILE 27 HG11 ILE 27 11.023 18.952 14.942 210 1HG2 ILE 27 HG21 ILE 27 9.495 21.760 12.948 211 2HG2 ILE 27 HG22 ILE 27 9.119 21.183 14.538 212 3HG2 ILE 27 HG23 ILE 27 9.392 20.055 13.240 213 1HD1 ILE 27 HD1 ILE 27 13.456 19.475 14.883 214 2HD1 ILE 27 HD2 ILE 27 12.921 19.102 16.499 215 3HD1 ILE 27 HD3 ILE 27 13.208 20.771 16.039 216 H TYR 28 HN TYR 28 11.097 22.764 12.493 217 HA TYR 28 HA TYR 28 9.694 22.979 10.228 218 1HB TYR 28 HB2 TYR 28 10.684 25.013 11.410 219 2HB TYR 28 HB1 TYR 28 12.087 24.854 10.364 220 HD1 TYR 28 HD1 TYR 28 8.417 25.351 10.405 221 HD2 TYR 28 HD2 TYR 28 11.936 25.431 7.965 222 HE1 TYR 28 HE1 TYR 28 7.150 26.384 8.569 223 HE2 TYR 28 HE2 TYR 28 10.654 26.448 6.171 224 HH TYR 28 HH TYR 28 8.648 27.638 5.766 225 H SER 29 HN SER 29 13.299 23.055 9.718 226 HA SER 29 HA SER 29 13.164 22.853 6.938 227 1HB SER 29 HB2 SER 29 15.638 22.459 7.306 228 2HB SER 29 HB1 SER 29 15.073 23.756 8.335 229 HG SER 29 HG1 SER 29 14.957 22.346 10.033 230 H HIS 30 HN HIS 30 14.195 20.361 9.228 231 HA HIS 30 HA HIS 30 14.249 18.237 7.347 232 1HB HIS 30 HB2 HIS 30 14.082 18.457 10.366 233 2HB HIS 30 HB1 HIS 30 13.774 16.865 9.697 234 HD1 HIS 30 HD1 HIS 30 15.812 15.573 9.419 235 HD2 HIS 30 HD2 HIS 30 16.676 19.555 9.260 236 HE1 HIS 30 HE1 HIS 30 18.297 15.755 9.165 237 H TYR 31 HN TYR 31 11.567 19.437 9.233 238 HA TYR 31 HA TYR 31 9.780 17.270 8.551 239 1HB TYR 31 HB2 TYR 31 9.192 18.741 10.473 240 2HB TYR 31 HB1 TYR 31 9.220 20.167 9.486 241 HD1 TYR 31 HD1 TYR 31 7.413 20.208 7.514 242 HD2 TYR 31 HD2 TYR 31 7.152 17.639 10.897 243 HE1 TYR 31 HE1 TYR 31 4.988 19.915 7.136 244 HE2 TYR 31 HE2 TYR 31 4.740 17.368 10.490 245 HH TYR 31 HH TYR 31 3.003 17.882 9.159 246 H LYS 32 HN LYS 32 10.361 20.473 7.291 247 HA LYS 32 HA LYS 32 8.422 20.135 5.091 248 1HB LYS 32 HB2 LYS 32 10.926 21.906 5.184 249 2HB LYS 32 HB1 LYS 32 9.689 21.925 3.943 250 1HG LYS 32 HG2 LYS 32 9.223 22.729 6.804 251 2HG LYS 32 HG1 LYS 32 9.302 23.755 5.399 252 1HD LYS 32 HD2 LYS 32 7.300 22.412 4.455 253 2HD LYS 32 HD1 LYS 32 7.218 21.601 5.993 254 1HE LYS 32 HE2 LYS 32 5.645 23.365 6.170 255 2HE LYS 32 HE1 LYS 32 7.082 23.874 7.078 256 1HZ LYS 32 HZ1 LYS 32 5.995 25.066 4.697 257 2HZ LYS 32 HZ2 LYS 32 7.616 24.542 4.542 258 3HZ LYS 32 HZ3 LYS 32 7.213 25.656 5.745 259 H GLN 33 HN GLN 33 12.003 19.734 4.939 260 HA GLN 33 HA GLN 33 11.985 18.536 2.341 261 1HB GLN 33 HB2 GLN 33 14.101 19.187 3.425 262 2HB GLN 33 HB1 GLN 33 13.842 18.037 4.714 263 1HG GLN 33 HG2 GLN 33 15.516 17.231 3.139 264 2HG GLN 33 HG1 GLN 33 14.174 16.130 3.109 265 1HE2 GLN 33 HE21 GLN 33 13.300 18.785 1.006 266 2HE2 GLN 33 HE22 GLN 33 13.974 18.053 -0.381 267 H ALA 34 HN ALA 34 11.462 16.937 5.424 268 HA ALA 34 HA ALA 34 11.299 14.278 4.358 269 1HB ALA 34 HB1 ALA 34 10.417 13.746 6.635 270 2HB ALA 34 HB2 ALA 34 10.240 15.460 6.949 271 3HB ALA 34 HB3 ALA 34 11.827 14.781 6.742 272 H THR 35 HN THR 35 8.796 16.718 4.861 273 HA THR 35 HA THR 35 6.722 14.767 3.932 274 HB THR 35 HB THR 35 4.992 16.215 4.940 275 HG1 THR 35 HG1 THR 35 7.178 17.781 5.767 276 1HG2 THR 35 HG21 THR 35 6.337 14.788 6.615 277 2HG2 THR 35 HG22 THR 35 5.697 16.305 7.240 278 3HG2 THR 35 HG23 THR 35 7.405 16.163 6.844 279 H VAL 36 HN VAL 36 7.643 18.008 3.441 280 HA VAL 36 HA VAL 36 5.796 18.371 1.128 281 HB VAL 36 HB VAL 36 7.802 20.288 2.445 282 1HG1 VAL 36 HG11 VAL 36 5.520 20.824 0.495 283 2HG1 VAL 36 HG12 VAL 36 7.235 20.912 0.110 284 3HG1 VAL 36 HG13 VAL 36 6.521 22.057 1.246 285 1HG2 VAL 36 HG21 VAL 36 5.938 19.647 3.970 286 2HG2 VAL 36 HG22 VAL 36 4.764 20.079 2.726 287 3HG2 VAL 36 HG23 VAL 36 5.771 21.323 3.453 288 H GLY 37 HN GLY 37 9.130 18.044 1.825 289 1HA GLY 37 HA2 GLY 37 10.745 16.967 0.321 290 2HA GLY 37 HA1 GLY 37 9.786 17.517 -1.051 291 H ASP 38 HN ASP 38 11.713 18.459 -2.081 292 HA ASP 38 HA ASP 38 13.420 20.180 -0.882 293 1HB ASP 38 HB2 ASP 38 12.291 20.556 -3.739 294 2HB ASP 38 HB1 ASP 38 13.881 20.887 -2.990 295 H ILE 39 HN ILE 39 13.562 22.551 -1.088 296 HA ILE 39 HA ILE 39 11.472 23.822 0.241 297 HB ILE 39 HB ILE 39 13.753 24.255 0.292 298 1HG1 ILE 39 HG12 ILE 39 12.111 26.640 -0.421 299 2HG1 ILE 39 HG11 ILE 39 11.640 25.640 0.862 300 1HG2 ILE 39 HG21 ILE 39 14.791 25.771 -1.344 301 2HG2 ILE 39 HG22 ILE 39 13.372 25.625 -2.385 302 3HG2 ILE 39 HG23 ILE 39 14.399 24.224 -2.057 303 1HD1 ILE 39 HD1 ILE 39 12.971 27.376 1.817 304 2HD1 ILE 39 HD2 ILE 39 14.327 26.952 0.803 305 3HD1 ILE 39 HD3 ILE 39 13.764 25.851 2.026 306 H ASN 40 HN ASN 40 9.916 23.548 -0.507 307 HA ASN 40 HA ASN 40 8.548 24.456 -3.046 308 1HB ASN 40 HB2 ASN 40 8.042 22.085 -2.203 309 2HB ASN 40 HB1 ASN 40 7.304 22.821 -0.781 310 1HD2 ASN 40 HD21 ASN 40 5.353 24.121 -1.114 311 2HD2 ASN 40 HD22 ASN 40 4.431 23.830 -2.521 312 H THR 41 HN THR 41 9.544 26.091 -1.725 313 HA THR 41 HA THR 41 7.648 28.204 -1.076 314 HB THR 41 HB THR 41 9.020 28.883 1.109 315 HG1 THR 41 HG1 THR 41 10.084 26.559 0.361 316 1HG2 THR 41 HG21 THR 41 7.773 27.440 2.644 317 2HG2 THR 41 HG22 THR 41 7.464 26.277 1.355 318 3HG2 THR 41 HG23 THR 41 6.712 27.858 1.297 319 H GLU 42 HN GLU 42 8.653 30.074 -1.941 320 HA GLU 42 HA GLU 42 11.341 29.625 -3.089 321 1HB GLU 42 HB2 GLU 42 9.334 31.848 -3.291 322 2HB GLU 42 HB1 GLU 42 10.847 31.842 -4.177 323 1HG GLU 42 HG2 GLU 42 9.244 30.923 -5.783 324 2HG GLU 42 HG1 GLU 42 10.046 29.506 -5.149 325 H ARG 43 HN ARG 43 13.120 31.180 -2.735 326 HA ARG 43 HA ARG 43 13.297 31.891 0.017 327 1HB ARG 43 HB2 ARG 43 15.160 31.261 -1.578 328 2HB ARG 43 HB1 ARG 43 15.002 32.851 -2.281 329 1HG ARG 43 HG2 ARG 43 15.435 33.825 0.015 330 2HG ARG 43 HG1 ARG 43 15.568 32.201 0.661 331 1HD ARG 43 HD2 ARG 43 17.463 31.858 -1.048 332 2HD ARG 43 HD1 ARG 43 17.351 33.604 -1.303 333 HE ARG 43 HE ARG 43 18.036 32.270 1.357 334 1HH1 ARG 43 HH21 ARG 43 16.563 34.504 1.788 335 2HH1 ARG 43 HH22 ARG 43 17.704 35.762 2.043 336 1HH2 ARG 43 HH11 ARG 43 20.184 33.883 0.493 337 2HH2 ARG 43 HH12 ARG 43 19.764 35.424 1.238 338 HA PRO 44 HA PRO 44 10.965 35.625 0.544 339 1HB PRO 44 HB2 PRO 44 13.748 36.523 1.395 340 2HB PRO 44 HB1 PRO 44 12.195 36.967 2.093 341 1HG PRO 44 HG2 PRO 44 13.710 34.882 3.077 342 2HG PRO 44 HG1 PRO 44 11.962 34.877 3.205 343 1HD PRO 44 HD2 PRO 44 13.617 33.065 1.578 344 2HD PRO 44 HD1 PRO 44 11.868 33.048 1.747 345 H GLY 45 HN GLY 45 14.037 36.219 -0.865 346 1HA GLY 45 HA2 GLY 45 14.474 37.079 -3.088 347 2HA GLY 45 HA1 GLY 45 12.805 37.606 -3.193 348 H MET 46 HN MET 46 12.459 38.978 -1.108 349 HA MET 46 HA MET 46 14.164 41.406 -1.533 350 1HB MET 46 HB2 MET 46 11.277 41.139 -0.581 351 2HB MET 46 HB1 MET 46 12.125 42.682 -0.691 352 1HG MET 46 HG2 MET 46 12.674 42.053 -3.119 353 2HG MET 46 HG1 MET 46 11.586 40.713 -2.933 354 1HE MET 46 HE1 MET 46 12.117 43.874 -4.421 355 2HE MET 46 HE2 MET 46 11.749 44.707 -2.892 356 3HE MET 46 HE3 MET 46 10.670 44.841 -4.275 357 H LEU 47 HN LEU 47 12.348 40.304 1.367 358 HA LEU 47 HA LEU 47 14.366 41.610 3.095 359 1HB LEU 47 HB2 LEU 47 11.672 40.428 3.772 360 2HB LEU 47 HB1 LEU 47 12.585 41.550 4.776 361 HG LEU 47 HG LEU 47 11.357 42.220 2.055 362 1HD1 LEU 47 HD11 LEU 47 10.486 42.966 4.886 363 2HD1 LEU 47 HD12 LEU 47 9.665 41.825 3.834 364 3HD1 LEU 47 HD13 LEU 47 9.733 43.521 3.404 365 1HD2 LEU 47 HD21 LEU 47 11.908 44.538 2.679 366 2HD2 LEU 47 HD22 LEU 47 13.376 43.581 2.624 367 3HD2 LEU 47 HD23 LEU 47 12.649 43.999 4.171 368 H ASP 48 HN ASP 48 15.448 40.365 4.888 369 HA ASP 48 HA ASP 48 15.057 37.445 4.695 370 1HB ASP 48 HB2 ASP 48 17.514 39.203 4.494 371 2HB ASP 48 HB1 ASP 48 17.730 37.815 5.537 372 H PHE 49 HN PHE 49 14.868 36.330 7.086 373 HA PHE 49 HA PHE 49 15.739 37.383 9.356 374 1HB PHE 49 HB2 PHE 49 13.619 38.513 10.295 375 2HB PHE 49 HB1 PHE 49 14.347 39.471 9.048 376 HD1 PHE 49 HD1 PHE 49 13.291 39.637 6.791 377 HD2 PHE 49 HD2 PHE 49 11.393 37.532 9.967 378 HE1 PHE 49 HE1 PHE 49 11.161 39.715 5.583 379 HE2 PHE 49 HE2 PHE 49 9.262 37.616 8.735 380 HZ PHE 49 HZ PHE 49 9.156 38.711 6.540 381 H LYS 50 HN LYS 50 13.019 36.577 10.763 382 HA LYS 50 HA LYS 50 13.346 33.883 10.969 383 1HB LYS 50 HB2 LYS 50 10.751 35.448 10.794 384 2HB LYS 50 HB1 LYS 50 10.792 33.768 11.290 385 1HG LYS 50 HG2 LYS 50 12.467 34.314 13.084 386 2HG LYS 50 HG1 LYS 50 12.323 36.009 12.694 387 1HD LYS 50 HD2 LYS 50 10.011 34.216 13.548 388 2HD LYS 50 HD1 LYS 50 10.908 35.270 14.620 389 1HE LYS 50 HE2 LYS 50 10.210 37.234 13.219 390 2HE LYS 50 HE1 LYS 50 9.241 36.155 12.220 391 1HZ LYS 50 HZ1 LYS 50 8.716 35.576 14.921 392 2HZ LYS 50 HZ2 LYS 50 7.625 36.195 13.785 393 3HZ LYS 50 HZ3 LYS 50 8.554 37.250 14.722 394 H GLY 51 HN GLY 51 11.922 35.393 8.149 395 1HA GLY 51 HA2 GLY 51 10.914 32.933 6.922 396 2HA GLY 51 HA1 GLY 51 11.139 34.511 6.117 397 H LYS 52 HN LYS 52 13.488 35.168 6.018 398 HA LYS 52 HA LYS 52 15.047 33.546 4.343 399 1HB LYS 52 HB2 LYS 52 15.884 35.783 5.021 400 2HB LYS 52 HB1 LYS 52 16.357 35.174 6.594 401 1HG LYS 52 HG2 LYS 52 17.581 33.341 4.838 402 2HG LYS 52 HG1 LYS 52 17.531 34.785 3.884 403 1HD LYS 52 HD2 LYS 52 18.609 36.039 5.793 404 2HD LYS 52 HD1 LYS 52 18.845 34.503 6.589 405 1HE LYS 52 HE2 LYS 52 19.883 35.213 3.821 406 2HE LYS 52 HE1 LYS 52 20.844 35.255 5.282 407 1HZ LYS 52 HZ1 LYS 52 20.244 32.941 3.649 408 2HZ LYS 52 HZ2 LYS 52 19.546 32.706 5.084 409 3HZ LYS 52 HZ3 LYS 52 21.194 32.976 5.021 410 H ALA 53 HN ALA 53 15.129 33.519 7.823 411 HA ALA 53 HA ALA 53 17.125 31.484 8.209 412 1HB ALA 53 HB1 ALA 53 16.241 32.987 10.019 413 2HB ALA 53 HB2 ALA 53 16.072 31.316 10.509 414 3HB ALA 53 HB3 ALA 53 14.679 32.203 9.930 415 H LYS 54 HN LYS 54 13.632 30.957 8.717 416 HA LYS 54 HA LYS 54 13.682 28.168 8.397 417 1HB LYS 54 HB2 LYS 54 11.624 30.279 7.939 418 2HB LYS 54 HB1 LYS 54 11.264 28.762 7.172 419 1HG LYS 54 HG2 LYS 54 10.267 28.230 9.173 420 2HG LYS 54 HG1 LYS 54 11.873 27.745 9.605 421 1HD LYS 54 HD2 LYS 54 11.072 29.080 11.448 422 2HD LYS 54 HD1 LYS 54 12.260 30.046 10.615 423 1HE LYS 54 HE2 LYS 54 10.374 31.444 11.109 424 2HE LYS 54 HE1 LYS 54 10.445 31.230 9.373 425 1HZ LYS 54 HZ1 LYS 54 8.277 30.600 11.061 426 2HZ LYS 54 HZ2 LYS 54 8.909 29.133 10.495 427 3HZ LYS 54 HZ3 LYS 54 8.404 30.286 9.390 428 H TRP 55 HN TRP 55 13.581 30.484 5.632 429 HA TRP 55 HA TRP 55 13.224 28.467 3.733 430 1HB TRP 55 HB2 TRP 55 12.941 31.017 3.399 431 2HB TRP 55 HB1 TRP 55 14.681 31.117 3.205 432 HD1 TRP 55 HD1 TRP 55 11.512 29.747 1.330 433 HE1 TRP 55 HE1 TRP 55 12.337 28.792 -0.821 434 HE3 TRP 55 HE3 TRP 55 16.532 30.127 1.955 435 HZ2 TRP 55 HZ2 TRP 55 14.676 28.273 -2.223 436 HZ3 TRP 55 HZ3 TRP 55 18.067 29.361 0.190 437 HH2 TRP 55 HH2 TRP 55 17.169 28.444 -1.933 438 H ASP 56 HN ASP 56 16.036 30.267 4.490 439 HA ASP 56 HA ASP 56 17.920 28.683 3.026 440 1HB ASP 56 HB2 ASP 56 18.135 30.385 5.499 441 2HB ASP 56 HB1 ASP 56 19.520 29.435 5.016 442 H ALA 57 HN ALA 57 16.807 28.252 6.391 443 HA ALA 57 HA ALA 57 18.299 26.041 7.109 444 1HB ALA 57 HB1 ALA 57 16.947 27.441 8.642 445 2HB ALA 57 HB2 ALA 57 16.515 25.742 8.827 446 3HB ALA 57 HB3 ALA 57 15.464 26.814 7.913 447 H TRP 58 HN TRP 58 15.294 26.146 5.287 448 HA TRP 58 HA TRP 58 15.161 23.151 5.282 449 1HB TRP 58 HB2 TRP 58 13.113 24.440 5.485 450 2HB TRP 58 HB1 TRP 58 13.465 25.328 4.037 451 HD1 TRP 58 HD1 TRP 58 14.301 21.536 3.506 452 HE1 TRP 58 HE1 TRP 58 12.317 20.785 1.960 453 HE3 TRP 58 HE3 TRP 58 11.083 25.441 3.845 454 HZ2 TRP 58 HZ2 TRP 58 9.848 21.586 1.015 455 HZ3 TRP 58 HZ3 TRP 58 8.968 25.454 2.644 456 HH2 TRP 58 HH2 TRP 58 8.332 23.562 1.212 457 H ASN 59 HN ASN 59 15.716 25.832 2.967 458 HA ASN 59 HA ASN 59 16.100 24.435 0.622 459 1HB ASN 59 HB2 ASN 59 16.188 26.807 0.529 460 2HB ASN 59 HB1 ASN 59 17.269 26.891 1.892 461 1HD2 ASN 59 HD21 ASN 59 19.138 27.650 1.297 462 2HD2 ASN 59 HD22 ASN 59 19.925 27.264 -0.185 463 H GLU 60 HN GLU 60 18.341 25.064 3.169 464 HA GLU 60 HA GLU 60 20.744 23.976 2.341 465 1HB GLU 60 HB2 GLU 60 20.173 25.160 4.528 466 2HB GLU 60 HB1 GLU 60 19.568 23.633 5.136 467 1HG GLU 60 HG2 GLU 60 21.880 23.727 5.883 468 2HG GLU 60 HG1 GLU 60 21.982 22.709 4.456 469 H LEU 61 HN LEU 61 17.921 22.340 3.325 470 HA LEU 61 HA LEU 61 19.038 19.584 3.182 471 1HB LEU 61 HB2 LEU 61 16.242 20.281 3.957 472 2HB LEU 61 HB1 LEU 61 17.132 18.808 4.278 473 HG LEU 61 HG LEU 61 17.816 21.523 5.513 474 1HD1 LEU 61 HD11 LEU 61 15.602 20.515 6.173 475 2HD1 LEU 61 HD12 LEU 61 16.770 20.509 7.484 476 3HD1 LEU 61 HD13 LEU 61 16.441 19.026 6.592 477 1HD2 LEU 61 HD21 LEU 61 18.773 18.671 6.158 478 2HD2 LEU 61 HD22 LEU 61 19.246 20.167 6.962 479 3HD2 LEU 61 HD23 LEU 61 19.726 19.889 5.309 480 H LYS 62 HN LYS 62 17.155 21.704 1.287 481 HA LYS 62 HA LYS 62 15.257 20.704 0.077 482 1HB LYS 62 HB2 LYS 62 16.445 22.738 -0.499 483 2HB LYS 62 HB1 LYS 62 17.767 21.888 -1.217 484 1HG LYS 62 HG2 LYS 62 15.967 21.001 -2.879 485 2HG LYS 62 HG1 LYS 62 14.919 22.154 -2.113 486 1HD LYS 62 HD2 LYS 62 15.690 23.410 -3.912 487 2HD LYS 62 HD1 LYS 62 16.643 23.963 -2.551 488 1HE LYS 62 HE2 LYS 62 18.033 23.549 -4.545 489 2HE LYS 62 HE1 LYS 62 18.490 22.497 -3.212 490 1HZ LYS 62 HZ1 LYS 62 16.423 21.149 -4.644 491 2HZ LYS 62 HZ2 LYS 62 18.015 20.714 -4.531 492 3HZ LYS 62 HZ3 LYS 62 17.527 21.750 -5.779 493 H GLY 63 HN GLY 63 18.110 18.785 -0.718 494 1HA GLY 63 HA2 GLY 63 16.276 17.234 -2.454 495 2HA GLY 63 HA1 GLY 63 17.976 17.456 -2.818 496 H THR 64 HN THR 64 17.674 17.154 0.305 497 HA THR 64 HA THR 64 19.059 14.756 0.908 498 HB THR 64 HB THR 64 17.176 16.564 2.409 499 HG1 THR 64 HG1 THR 64 19.124 17.375 2.459 500 1HG2 THR 64 HG21 THR 64 16.988 14.333 3.740 501 2HG2 THR 64 HG22 THR 64 17.864 15.592 4.562 502 3HG2 THR 64 HG23 THR 64 18.770 14.341 3.758 503 H SER 65 HN SER 65 17.729 13.027 2.595 504 HA SER 65 HA SER 65 16.022 11.548 0.678 505 1HB SER 65 HB2 SER 65 17.538 9.957 1.663 506 2HB SER 65 HB1 SER 65 17.664 10.832 3.173 507 HG SER 65 HG1 SER 65 16.357 8.964 3.409 508 H LYS 66 HN LYS 66 13.952 10.783 1.659 509 HA LYS 66 HA LYS 66 12.792 13.016 3.268 510 1HB LYS 66 HB2 LYS 66 10.593 12.004 2.598 511 2HB LYS 66 HB1 LYS 66 11.635 12.312 1.225 512 1HG LYS 66 HG2 LYS 66 12.270 9.964 0.992 513 2HG LYS 66 HG1 LYS 66 11.433 9.566 2.497 514 1HD LYS 66 HD2 LYS 66 9.295 9.955 1.636 515 2HD LYS 66 HD1 LYS 66 9.895 10.862 0.275 516 1HE LYS 66 HE2 LYS 66 9.017 8.480 -0.175 517 2HE LYS 66 HE1 LYS 66 10.531 8.955 -0.924 518 1HZ LYS 66 HZ1 LYS 66 11.198 7.906 1.591 519 2HZ LYS 66 HZ2 LYS 66 11.471 7.187 0.073 520 3HZ LYS 66 HZ3 LYS 66 10.056 6.843 0.918 521 H GLU 67 HN GLU 67 13.317 9.588 3.158 522 HA GLU 67 HA GLU 67 12.203 8.848 5.620 523 1HB GLU 67 HB2 GLU 67 13.790 7.785 3.341 524 2HB GLU 67 HB1 GLU 67 14.326 7.036 4.780 525 1HG GLU 67 HG2 GLU 67 11.363 7.141 3.964 526 2HG GLU 67 HG1 GLU 67 12.407 5.773 3.616 527 H ASP 68 HN ASP 68 15.555 9.854 4.853 528 HA ASP 68 HA ASP 68 16.589 9.358 7.439 529 1HB ASP 68 HB2 ASP 68 17.241 11.176 5.129 530 2HB ASP 68 HB1 ASP 68 18.331 10.923 6.456 531 H ALA 69 HN ALA 69 15.374 12.166 5.957 532 HA ALA 69 HA ALA 69 15.554 13.995 8.137 533 1HB ALA 69 HB1 ALA 69 13.459 13.852 5.895 534 2HB ALA 69 HB2 ALA 69 15.030 14.575 5.762 535 3HB ALA 69 HB3 ALA 69 13.848 15.309 6.828 536 H MET 70 HN MET 70 12.869 11.794 7.131 537 HA MET 70 HA MET 70 11.099 12.208 9.199 538 1HB MET 70 HB2 MET 70 11.908 10.017 7.364 539 2HB MET 70 HB1 MET 70 10.923 9.499 8.649 540 1HG MET 70 HG2 MET 70 9.512 11.650 7.690 541 2HG MET 70 HG1 MET 70 10.548 11.464 6.345 542 1HE MET 70 HE1 MET 70 6.641 10.197 5.993 543 2HE MET 70 HE2 MET 70 7.630 11.369 5.113 544 3HE MET 70 HE3 MET 70 7.405 11.499 6.871 545 H LYS 71 HN LYS 71 13.636 9.788 9.078 546 HA LYS 71 HA LYS 71 13.412 8.710 11.652 547 1HB LYS 71 HB2 LYS 71 16.023 9.115 10.101 548 2HB LYS 71 HB1 LYS 71 15.845 8.031 11.459 549 1HG LYS 71 HG2 LYS 71 14.428 6.531 10.221 550 2HG LYS 71 HG1 LYS 71 14.227 7.633 8.895 551 1HD LYS 71 HD2 LYS 71 16.950 7.566 8.874 552 2HD LYS 71 HD1 LYS 71 16.723 6.128 9.823 553 1HE LYS 71 HE2 LYS 71 17.103 5.594 7.438 554 2HE LYS 71 HE1 LYS 71 15.509 5.052 7.946 555 1HZ LYS 71 HZ1 LYS 71 15.244 7.700 7.225 556 2HZ LYS 71 HZ2 LYS 71 14.608 6.346 6.437 557 3HZ LYS 71 HZ3 LYS 71 16.159 7.032 5.952 558 H ALA 72 HN ALA 72 15.927 11.153 10.650 559 HA ALA 72 HA ALA 72 16.880 11.743 13.138 560 1HB ALA 72 HB1 ALA 72 17.867 12.356 10.942 561 2HB ALA 72 HB2 ALA 72 17.673 13.807 11.903 562 3HB ALA 72 HB3 ALA 72 16.527 13.442 10.621 563 H TYR 73 HN TYR 73 14.207 13.225 11.386 564 HA TYR 73 HA TYR 73 13.567 15.304 13.154 565 1HB TYR 73 HB2 TYR 73 12.603 14.944 10.884 566 2HB TYR 73 HB1 TYR 73 11.708 13.551 11.451 567 HD1 TYR 73 HD1 TYR 73 12.049 17.166 11.491 568 HD2 TYR 73 HD2 TYR 73 9.750 13.893 12.974 569 HE1 TYR 73 HE1 TYR 73 10.325 18.697 12.153 570 HE2 TYR 73 HE2 TYR 73 8.005 15.477 13.672 571 HH TYR 73 HH TYR 73 8.428 18.528 14.174 572 H ILE 74 HN ILE 74 12.188 12.184 12.919 573 HA ILE 74 HA ILE 74 10.507 12.168 15.241 574 HB ILE 74 HB ILE 74 12.069 9.779 14.146 575 1HG1 ILE 74 HG12 ILE 74 9.123 10.488 13.811 576 2HG1 ILE 74 HG11 ILE 74 10.308 11.108 12.667 577 1HG2 ILE 74 HG21 ILE 74 9.607 9.957 16.005 578 2HG2 ILE 74 HG22 ILE 74 11.203 9.479 16.547 579 3HG2 ILE 74 HG23 ILE 74 10.328 8.467 15.430 580 1HD1 ILE 74 HD1 ILE 74 9.871 8.171 13.301 581 2HD1 ILE 74 HD2 ILE 74 11.069 8.792 12.186 582 3HD1 ILE 74 HD3 ILE 74 9.353 8.963 11.826 583 H ASP 75 HN ASP 75 13.938 11.077 15.109 584 HA ASP 75 HA ASP 75 14.091 10.627 17.920 585 1HB ASP 75 HB2 ASP 75 15.963 11.036 15.572 586 2HB ASP 75 HB1 ASP 75 16.635 10.904 17.182 587 H LYS 76 HN LYS 76 15.143 13.405 16.039 588 HA LYS 76 HA LYS 76 16.021 15.037 18.153 589 1HB LYS 76 HB2 LYS 76 15.258 15.372 15.370 590 2HB LYS 76 HB1 LYS 76 14.516 16.684 16.225 591 1HG LYS 76 HG2 LYS 76 17.485 16.020 16.573 592 2HG LYS 76 HG1 LYS 76 16.930 17.166 15.381 593 1HD LYS 76 HD2 LYS 76 15.978 18.649 17.179 594 2HD LYS 76 HD1 LYS 76 16.438 17.484 18.404 595 1HE LYS 76 HE2 LYS 76 18.801 17.785 17.984 596 2HE LYS 76 HE1 LYS 76 18.489 18.743 16.554 597 1HZ LYS 76 HZ1 LYS 76 18.542 20.617 17.893 598 2HZ LYS 76 HZ2 LYS 76 18.650 19.630 19.282 599 3HZ LYS 76 HZ3 LYS 76 17.190 20.077 18.737 600 H VAL 77 HN VAL 77 12.682 14.792 16.841 601 HA VAL 77 HA VAL 77 11.497 16.514 18.779 602 HB VAL 77 HB VAL 77 10.293 14.089 17.311 603 1HG1 VAL 77 HG11 VAL 77 8.976 16.528 18.643 604 2HG1 VAL 77 HG12 VAL 77 8.982 14.917 19.323 605 3HG1 VAL 77 HG13 VAL 77 8.142 15.226 17.832 606 1HG2 VAL 77 HG21 VAL 77 9.405 15.825 15.716 607 2HG2 VAL 77 HG22 VAL 77 11.152 15.913 15.747 608 3HG2 VAL 77 HG23 VAL 77 10.194 17.089 16.628 609 H GLU 78 HN GLU 78 11.924 13.014 18.710 610 HA GLU 78 HA GLU 78 10.754 12.263 21.141 611 1HB GLU 78 HB2 GLU 78 11.932 10.730 19.510 612 2HB GLU 78 HB1 GLU 78 13.462 11.255 20.178 613 1HG GLU 78 HG2 GLU 78 13.207 9.703 21.804 614 2HG GLU 78 HG1 GLU 78 11.940 10.687 22.504 615 H GLU 79 HN GLU 79 14.016 13.648 20.620 616 HA GLU 79 HA GLU 79 14.710 13.650 23.418 617 1HB GLU 79 HB2 GLU 79 15.714 15.380 21.089 618 2HB GLU 79 HB1 GLU 79 16.478 15.298 22.664 619 1HG GLU 79 HG2 GLU 79 16.448 12.594 21.999 620 2HG GLU 79 HG1 GLU 79 16.520 13.299 20.396 621 H LEU 80 HN LEU 80 13.599 16.203 21.211 622 HA LEU 80 HA LEU 80 13.223 18.293 23.079 623 1HB LEU 80 HB2 LEU 80 11.214 17.610 20.881 624 2HB LEU 80 HB1 LEU 80 11.407 19.174 21.657 625 HG LEU 80 HG LEU 80 13.319 17.794 19.772 626 1HD1 LEU 80 HD11 LEU 80 12.891 19.892 18.517 627 2HD1 LEU 80 HD12 LEU 80 11.814 20.405 19.814 628 3HD1 LEU 80 HD13 LEU 80 11.418 18.991 18.831 629 1HD2 LEU 80 HD21 LEU 80 14.776 19.685 19.988 630 2HD2 LEU 80 HD22 LEU 80 14.694 18.885 21.534 631 3HD2 LEU 80 HD23 LEU 80 13.819 20.395 21.272 632 H LYS 81 HN LYS 81 11.309 15.550 22.601 633 HA LYS 81 HA LYS 81 9.048 16.313 24.252 634 1HB LYS 81 HB2 LYS 81 8.788 14.617 22.597 635 2HB LYS 81 HB1 LYS 81 10.106 13.641 23.179 636 1HG LYS 81 HG2 LYS 81 8.722 13.402 25.384 637 2HG LYS 81 HG1 LYS 81 7.391 14.072 24.471 638 1HD LYS 81 HD2 LYS 81 8.999 11.552 23.798 639 2HD LYS 81 HD1 LYS 81 7.386 11.571 24.491 640 1HE LYS 81 HE2 LYS 81 6.747 12.915 22.332 641 2HE LYS 81 HE1 LYS 81 8.270 12.308 21.701 642 1HZ LYS 81 HZ1 LYS 81 6.927 10.189 23.002 643 2HZ LYS 81 HZ2 LYS 81 7.281 10.294 21.350 644 3HZ LYS 81 HZ3 LYS 81 5.831 10.924 21.984 645 H LYS 82 HN LYS 82 11.848 14.323 24.652 646 HA LYS 82 HA LYS 82 11.420 13.727 27.468 647 1HB LYS 82 HB2 LYS 82 13.989 13.836 25.832 648 2HB LYS 82 HB1 LYS 82 13.930 13.261 27.489 649 1HG LYS 82 HG2 LYS 82 12.138 11.555 26.676 650 2HG LYS 82 HG1 LYS 82 12.560 12.062 25.061 651 1HD LYS 82 HD2 LYS 82 14.790 11.366 25.171 652 2HD LYS 82 HD1 LYS 82 14.828 11.294 26.920 653 1HE LYS 82 HE2 LYS 82 13.236 9.407 25.160 654 2HE LYS 82 HE1 LYS 82 14.835 9.035 25.788 655 1HZ LYS 82 HZ1 LYS 82 13.148 10.049 27.861 656 2HZ LYS 82 HZ2 LYS 82 13.956 8.555 27.808 657 3HZ LYS 82 HZ3 LYS 82 12.409 8.696 27.139 658 H LYS 83 HN LYS 83 12.944 16.412 25.867 659 HA LYS 83 HA LYS 83 13.915 17.720 28.263 660 1HB LYS 83 HB2 LYS 83 14.830 17.600 25.841 661 2HB LYS 83 HB1 LYS 83 13.748 18.869 25.506 662 1HG LYS 83 HG2 LYS 83 15.624 20.183 25.994 663 2HG LYS 83 HG1 LYS 83 14.723 20.231 27.469 664 1HD LYS 83 HD2 LYS 83 17.118 19.836 27.970 665 2HD LYS 83 HD1 LYS 83 16.167 18.459 28.484 666 1HE LYS 83 HE2 LYS 83 18.190 17.699 27.294 667 2HE LYS 83 HE1 LYS 83 16.780 17.250 26.361 668 1HZ LYS 83 HZ1 LYS 83 17.377 18.547 24.703 669 2HZ LYS 83 HZ2 LYS 83 18.902 18.758 25.402 670 3HZ LYS 83 HZ3 LYS 83 17.670 19.901 25.676 671 H TYR 84 HN TYR 84 11.591 18.652 25.965 672 HA TYR 84 HA TYR 84 10.537 20.779 27.784 673 1HB TYR 84 HB2 TYR 84 10.234 20.836 24.794 674 2HB TYR 84 HB1 TYR 84 10.023 22.167 25.879 675 HD1 TYR 84 HD1 TYR 84 12.276 20.296 23.849 676 HD2 TYR 84 HD2 TYR 84 12.086 23.225 26.924 677 HE1 TYR 84 HE1 TYR 84 14.590 20.994 23.335 678 HE2 TYR 84 HE2 TYR 84 14.373 23.915 26.404 679 HH TYR 84 HH TYR 84 15.952 22.773 23.549 680 H GLY 85 HN GLY 85 9.247 17.685 26.585 681 1HA GLY 85 HA2 GLY 85 6.725 18.838 25.866 682 2HA GLY 85 HA1 GLY 85 7.124 17.143 26.086 683 H ILE 86 HN ILE 86 7.559 19.726 28.401 684 HA ILE 86 HA ILE 86 5.194 19.121 29.722 685 HB ILE 86 HB ILE 86 6.725 17.149 30.335 686 1HG1 ILE 86 HG12 ILE 86 6.445 18.970 32.772 687 2HG1 ILE 86 HG11 ILE 86 5.081 18.103 32.115 688 1HG2 ILE 86 HG21 ILE 86 8.831 17.581 31.615 689 2HG2 ILE 86 HG22 ILE 86 8.525 19.302 31.528 690 3HG2 ILE 86 HG23 ILE 86 8.871 18.394 30.069 691 1HD1 ILE 86 HD1 ILE 86 6.104 16.781 33.958 692 2HD1 ILE 86 HD2 ILE 86 7.668 16.848 33.163 693 3HD1 ILE 86 HD3 ILE 86 6.355 15.953 32.421 Start of MODEL 18 1 1H SER 1 HT1 SER 1 -0.481 6.036 6.424 2 2H SER 1 HT2 SER 1 -0.787 5.860 8.107 3 3H SER 1 HT3 SER 1 0.641 5.249 7.437 4 HA SER 1 HA SER 1 0.632 7.972 6.863 5 1HB SER 1 HB2 SER 1 0.403 8.758 9.382 6 2HB SER 1 HB1 SER 1 -1.121 8.289 8.618 7 HG SER 1 HG1 SER 1 0.125 7.011 10.649 8 H GLN 2 HN GLN 2 2.535 8.819 8.721 9 HA GLN 2 HA GLN 2 4.534 6.584 8.824 10 1HB GLN 2 HB2 GLN 2 4.760 8.834 7.268 11 2HB GLN 2 HB1 GLN 2 5.147 9.606 8.770 12 1HG GLN 2 HG2 GLN 2 6.700 7.306 7.435 13 2HG GLN 2 HG1 GLN 2 7.255 8.947 7.664 14 1HE2 GLN 2 HE21 GLN 2 8.738 9.173 9.303 15 2HE2 GLN 2 HE22 GLN 2 8.795 8.090 10.639 16 H ALA 3 HN ALA 3 3.137 6.090 10.763 17 HA ALA 3 HA ALA 3 2.108 7.552 12.671 18 1HB ALA 3 HB1 ALA 3 2.146 5.099 12.582 19 2HB ALA 3 HB2 ALA 3 2.693 5.602 14.162 20 3HB ALA 3 HB3 ALA 3 3.859 5.078 12.975 21 H GLU 4 HN GLU 4 5.499 6.600 13.009 22 HA GLU 4 HA GLU 4 5.899 8.328 15.291 23 1HB GLU 4 HB2 GLU 4 7.957 7.566 13.298 24 2HB GLU 4 HB1 GLU 4 8.256 7.869 14.992 25 1HG GLU 4 HG2 GLU 4 7.061 5.295 13.849 26 2HG GLU 4 HG1 GLU 4 8.091 5.499 15.254 27 H PHE 5 HN PHE 5 7.381 9.077 12.247 28 HA PHE 5 HA PHE 5 7.900 11.720 12.506 29 1HB PHE 5 HB2 PHE 5 8.066 10.514 10.374 30 2HB PHE 5 HB1 PHE 5 6.299 10.608 10.290 31 HD1 PHE 5 HD1 PHE 5 5.325 12.582 9.301 32 HD2 PHE 5 HD2 PHE 5 9.396 12.623 10.536 33 HE1 PHE 5 HE1 PHE 5 5.599 14.738 8.289 34 HE2 PHE 5 HE2 PHE 5 9.693 14.802 9.497 35 HZ PHE 5 HZ PHE 5 7.778 15.897 8.347 36 H ASP 6 HN ASP 6 4.567 10.824 11.491 37 HA ASP 6 HA ASP 6 3.547 13.428 11.797 38 1HB ASP 6 HB2 ASP 6 2.355 10.627 11.996 39 2HB ASP 6 HB1 ASP 6 1.402 12.084 11.832 40 H LYS 7 HN LYS 7 3.655 10.720 14.058 41 HA LYS 7 HA LYS 7 2.428 12.047 16.250 42 1HB LYS 7 HB2 LYS 7 2.973 9.643 16.021 43 2HB LYS 7 HB1 LYS 7 4.683 9.982 16.281 44 1HG LYS 7 HG2 LYS 7 4.144 10.883 18.523 45 2HG LYS 7 HG1 LYS 7 2.450 10.535 18.252 46 1HD LYS 7 HD2 LYS 7 4.761 8.497 18.476 47 2HD LYS 7 HD1 LYS 7 3.385 8.668 19.530 48 1HE LYS 7 HE2 LYS 7 2.722 6.813 18.280 49 2HE LYS 7 HE1 LYS 7 1.964 8.108 17.368 50 1HZ LYS 7 HZ1 LYS 7 4.004 6.281 16.450 51 2HZ LYS 7 HZ2 LYS 7 4.650 7.755 16.499 52 3HZ LYS 7 HZ3 LYS 7 3.261 7.536 15.557 53 H ALA 8 HN ALA 8 5.978 11.920 15.254 54 HA ALA 8 HA ALA 8 6.745 13.617 17.397 55 1HB ALA 8 HB1 ALA 8 8.777 14.057 15.939 56 2HB ALA 8 HB2 ALA 8 7.900 13.436 14.553 57 3HB ALA 8 HB3 ALA 8 8.313 12.383 15.894 58 H ALA 9 HN ALA 9 5.725 14.403 14.256 59 HA ALA 9 HA ALA 9 5.858 17.256 14.345 60 1HB ALA 9 HB1 ALA 9 5.414 15.989 12.260 61 2HB ALA 9 HB2 ALA 9 4.170 17.213 12.478 62 3HB ALA 9 HB3 ALA 9 3.831 15.528 12.857 63 H GLU 10 HN GLU 10 3.026 15.167 15.323 64 HA GLU 10 HA GLU 10 1.452 17.437 16.050 65 1HB GLU 10 HB2 GLU 10 0.620 15.152 15.306 66 2HB GLU 10 HB1 GLU 10 1.252 14.475 16.789 67 1HG GLU 10 HG2 GLU 10 -0.250 15.843 18.154 68 2HG GLU 10 HG1 GLU 10 -0.826 16.720 16.738 69 H GLU 11 HN GLU 11 3.600 15.131 17.781 70 HA GLU 11 HA GLU 11 3.047 15.963 20.362 71 1HB GLU 11 HB2 GLU 11 5.485 14.853 18.883 72 2HB GLU 11 HB1 GLU 11 5.535 15.117 20.593 73 1HG GLU 11 HG2 GLU 11 3.462 13.305 19.315 74 2HG GLU 11 HG1 GLU 11 5.005 12.707 19.911 75 H VAL 12 HN VAL 12 5.711 16.986 18.245 76 HA VAL 12 HA VAL 12 6.735 18.984 19.947 77 HB VAL 12 HB VAL 12 7.364 17.947 17.508 78 1HG1 VAL 12 HG11 VAL 12 6.563 20.772 16.773 79 2HG1 VAL 12 HG12 VAL 12 5.819 19.279 16.187 80 3HG1 VAL 12 HG13 VAL 12 7.475 19.638 15.790 81 1HG2 VAL 12 HG21 VAL 12 9.207 19.668 17.442 82 2HG2 VAL 12 HG22 VAL 12 8.970 19.072 19.076 83 3HG2 VAL 12 HG23 VAL 12 8.318 20.633 18.608 84 H LYS 13 HN LYS 13 4.247 19.214 17.397 85 HA LYS 13 HA LYS 13 3.667 21.918 17.758 86 1HB LYS 13 HB2 LYS 13 2.010 19.512 17.082 87 2HB LYS 13 HB1 LYS 13 1.256 21.080 17.220 88 1HG LYS 13 HG2 LYS 13 3.051 21.920 15.526 89 2HG LYS 13 HG1 LYS 13 3.545 20.269 15.369 90 1HD LYS 13 HD2 LYS 13 1.896 20.827 13.576 91 2HD LYS 13 HD1 LYS 13 1.387 19.519 14.611 92 1HE LYS 13 HE2 LYS 13 -0.447 21.193 14.116 93 2HE LYS 13 HE1 LYS 13 -0.190 20.897 15.822 94 1HZ LYS 13 HZ1 LYS 13 0.004 23.357 14.460 95 2HZ LYS 13 HZ2 LYS 13 1.564 22.950 14.938 96 3HZ LYS 13 HZ3 LYS 13 0.338 23.089 16.095 97 H HIS 14 HN HIS 14 3.322 19.742 20.257 98 HA HIS 14 HA HIS 14 1.608 21.667 21.756 99 1HB HIS 14 HB2 HIS 14 1.293 18.638 21.885 100 2HB HIS 14 HB1 HIS 14 0.324 19.806 22.769 101 HD1 HIS 14 HD1 HIS 14 0.816 18.371 19.494 102 HD2 HIS 14 HD2 HIS 14 -1.633 21.168 21.148 103 HE1 HIS 14 HE1 HIS 14 -0.970 18.821 17.808 104 H LEU 15 HN LEU 15 4.647 20.926 21.771 105 HA LEU 15 HA LEU 15 4.995 19.545 24.282 106 1HB LEU 15 HB2 LEU 15 6.845 21.719 23.229 107 2HB LEU 15 HB1 LEU 15 7.246 20.454 24.375 108 HG LEU 15 HG LEU 15 6.677 20.188 21.439 109 1HD1 LEU 15 HD11 LEU 15 8.952 20.894 22.111 110 2HD1 LEU 15 HD12 LEU 15 9.008 19.252 21.461 111 3HD1 LEU 15 HD13 LEU 15 9.052 19.512 23.192 112 1HD2 LEU 15 HD21 LEU 15 7.079 17.723 21.697 113 2HD2 LEU 15 HD22 LEU 15 5.643 18.207 22.569 114 3HD2 LEU 15 HD23 LEU 15 7.140 17.898 23.433 115 H LYS 16 HN LYS 16 5.407 20.296 26.271 116 HA LYS 16 HA LYS 16 3.759 22.223 27.436 117 1HB LYS 16 HB2 LYS 16 6.370 20.913 28.328 118 2HB LYS 16 HB1 LYS 16 5.584 22.052 29.382 119 1HG LYS 16 HG2 LYS 16 4.218 19.552 28.291 120 2HG LYS 16 HG1 LYS 16 5.070 19.561 29.817 121 1HD LYS 16 HD2 LYS 16 3.500 21.648 30.388 122 2HD LYS 16 HD1 LYS 16 2.522 21.084 29.054 123 1HE LYS 16 HE2 LYS 16 3.271 19.391 31.485 124 2HE LYS 16 HE1 LYS 16 1.739 20.226 31.286 125 1HZ LYS 16 HZ1 LYS 16 2.246 18.759 28.949 126 2HZ LYS 16 HZ2 LYS 16 1.007 18.411 30.029 127 3HZ LYS 16 HZ3 LYS 16 2.550 17.696 30.107 128 H THR 17 HN THR 17 6.936 22.465 26.315 129 HA THR 17 HA THR 17 6.872 25.448 26.729 130 HB THR 17 HB THR 17 9.506 23.935 26.345 131 HG1 THR 17 HG1 THR 17 8.725 24.534 28.895 132 1HG2 THR 17 HG21 THR 17 10.305 25.695 27.903 133 2HG2 THR 17 HG22 THR 17 8.701 26.378 28.075 134 3HG2 THR 17 HG23 THR 17 9.581 26.512 26.558 135 H LYS 18 HN LYS 18 8.228 26.644 25.377 136 HA LYS 18 HA LYS 18 7.760 26.128 22.504 137 1HB LYS 18 HB2 LYS 18 7.221 28.294 23.992 138 2HB LYS 18 HB1 LYS 18 8.926 28.620 23.817 139 1HG LYS 18 HG2 LYS 18 8.591 28.546 21.277 140 2HG LYS 18 HG1 LYS 18 6.862 28.414 21.602 141 1HD LYS 18 HD2 LYS 18 7.090 30.507 23.112 142 2HD LYS 18 HD1 LYS 18 8.734 30.650 22.519 143 1HE LYS 18 HE2 LYS 18 7.847 30.921 20.192 144 2HE LYS 18 HE1 LYS 18 6.212 30.831 20.835 145 1HZ LYS 18 HZ1 LYS 18 7.940 33.073 20.792 146 2HZ LYS 18 HZ2 LYS 18 7.710 32.624 22.407 147 3HZ LYS 18 HZ3 LYS 18 6.367 33.014 21.439 148 HA PRO 19 HA PRO 19 12.101 24.879 23.014 149 1HB PRO 19 HB2 PRO 19 12.508 23.502 20.757 150 2HB PRO 19 HB1 PRO 19 11.307 22.927 21.913 151 1HG PRO 19 HG2 PRO 19 10.752 24.767 19.524 152 2HG PRO 19 HG1 PRO 19 10.044 23.175 19.804 153 1HD PRO 19 HD2 PRO 19 8.748 25.427 20.696 154 2HD PRO 19 HD1 PRO 19 8.760 23.964 21.724 155 H ALA 20 HN ALA 20 14.109 25.427 22.044 156 HA ALA 20 HA ALA 20 14.265 28.166 21.240 157 1HB ALA 20 HB1 ALA 20 16.685 27.686 20.832 158 2HB ALA 20 HB2 ALA 20 16.353 25.967 20.970 159 3HB ALA 20 HB3 ALA 20 16.120 27.022 22.354 160 H ASP 21 HN ASP 21 14.956 29.204 19.359 161 HA ASP 21 HA ASP 21 13.590 28.661 17.014 162 1HB ASP 21 HB2 ASP 21 15.350 30.202 15.953 163 2HB ASP 21 HB1 ASP 21 14.629 30.815 17.407 164 H GLU 22 HN GLU 22 17.042 27.660 17.654 165 HA GLU 22 HA GLU 22 17.382 26.330 15.229 166 1HB GLU 22 HB2 GLU 22 18.417 25.520 18.041 167 2HB GLU 22 HB1 GLU 22 19.103 24.923 16.550 168 1HG GLU 22 HG2 GLU 22 19.698 27.379 15.967 169 2HG GLU 22 HG1 GLU 22 19.265 27.791 17.614 170 H GLU 23 HN GLU 23 15.920 24.921 18.261 171 HA GLU 23 HA GLU 23 15.546 22.340 17.273 172 1HB GLU 23 HB2 GLU 23 13.661 23.940 19.103 173 2HB GLU 23 HB1 GLU 23 13.873 22.200 19.111 174 1HG GLU 23 HG2 GLU 23 16.177 24.104 19.865 175 2HG GLU 23 HG1 GLU 23 15.016 23.580 21.043 176 H MET 24 HN MET 24 13.545 25.167 17.196 177 HA MET 24 HA MET 24 11.268 24.214 15.725 178 1HB MET 24 HB2 MET 24 12.468 27.022 15.689 179 2HB MET 24 HB1 MET 24 10.942 26.616 14.961 180 1HG MET 24 HG2 MET 24 10.185 25.810 17.263 181 2HG MET 24 HG1 MET 24 11.666 26.508 17.883 182 1HE MET 24 HE1 MET 24 8.229 28.804 15.952 183 2HE MET 24 HE2 MET 24 8.530 27.089 15.831 184 3HE MET 24 HE3 MET 24 9.523 28.237 14.901 185 H LEU 25 HN LEU 25 14.107 25.870 14.455 186 HA LEU 25 HA LEU 25 13.602 25.916 11.758 187 1HB LEU 25 HB2 LEU 25 15.902 26.079 13.668 188 2HB LEU 25 HB1 LEU 25 16.358 25.871 12.011 189 HG LEU 25 HG LEU 25 14.283 28.009 12.784 190 1HD1 LEU 25 HD11 LEU 25 16.169 29.599 12.926 191 2HD1 LEU 25 HD12 LEU 25 17.333 28.310 12.687 192 3HD1 LEU 25 HD13 LEU 25 16.394 28.384 14.165 193 1HD2 LEU 25 HD21 LEU 25 14.775 27.269 10.451 194 2HD2 LEU 25 HD22 LEU 25 16.428 27.778 10.679 195 3HD2 LEU 25 HD23 LEU 25 15.140 28.970 10.726 196 H PHE 26 HN PHE 26 15.408 23.605 13.644 197 HA PHE 26 HA PHE 26 16.109 21.790 11.547 198 1HB PHE 26 HB2 PHE 26 17.011 21.803 13.973 199 2HB PHE 26 HB1 PHE 26 15.516 21.040 14.484 200 HD1 PHE 26 HD1 PHE 26 18.590 20.610 12.483 201 HD2 PHE 26 HD2 PHE 26 14.981 18.768 13.783 202 HE1 PHE 26 HE1 PHE 26 19.431 18.420 11.731 203 HE2 PHE 26 HE2 PHE 26 15.816 16.579 13.032 204 HZ PHE 26 HZ PHE 26 18.045 16.415 12.003 205 H ILE 27 HN ILE 27 13.424 21.652 13.976 206 HA ILE 27 HA ILE 27 11.996 19.545 12.770 207 HB ILE 27 HB ILE 27 11.041 22.079 14.201 208 1HG1 ILE 27 HG12 ILE 27 12.386 20.679 15.634 209 2HG1 ILE 27 HG11 ILE 27 10.729 20.609 16.175 210 1HG2 ILE 27 HG21 ILE 27 9.337 19.592 13.750 211 2HG2 ILE 27 HG22 ILE 27 9.100 21.111 12.889 212 3HG2 ILE 27 HG23 ILE 27 8.871 21.026 14.613 213 1HD1 ILE 27 HD1 ILE 27 12.203 18.487 14.511 214 2HD1 ILE 27 HD2 ILE 27 10.511 18.354 14.991 215 3HD1 ILE 27 HD3 ILE 27 11.774 18.362 16.203 216 H TYR 28 HN TYR 28 10.654 22.718 12.359 217 HA TYR 28 HA TYR 28 9.237 22.426 10.018 218 1HB TYR 28 HB2 TYR 28 9.407 24.578 10.960 219 2HB TYR 28 HB1 TYR 28 11.084 24.748 10.579 220 HD1 TYR 28 HD1 TYR 28 11.368 24.328 7.637 221 HD2 TYR 28 HD2 TYR 28 7.948 25.817 9.718 222 HE1 TYR 28 HE1 TYR 28 10.622 25.428 5.620 223 HE2 TYR 28 HE2 TYR 28 7.204 26.909 7.651 224 HH TYR 28 HH TYR 28 8.305 27.801 5.522 225 H SER 29 HN SER 29 12.958 22.902 9.624 226 HA SER 29 HA SER 29 12.864 22.722 6.870 227 1HB SER 29 HB2 SER 29 15.346 22.310 7.281 228 2HB SER 29 HB1 SER 29 14.797 23.593 8.326 229 HG SER 29 HG1 SER 29 14.608 22.144 10.007 230 H HIS 30 HN HIS 30 13.713 20.296 9.261 231 HA HIS 30 HA HIS 30 13.882 18.171 7.383 232 1HB HIS 30 HB2 HIS 30 13.430 18.315 10.423 233 2HB HIS 30 HB1 HIS 30 13.645 16.770 9.590 234 HD1 HIS 30 HD1 HIS 30 15.486 20.083 9.647 235 HD2 HIS 30 HD2 HIS 30 16.203 16.052 9.395 236 HE1 HIS 30 HE1 HIS 30 17.960 19.795 9.554 237 H TYR 31 HN TYR 31 11.107 19.507 9.061 238 HA TYR 31 HA TYR 31 9.284 17.353 8.421 239 1HB TYR 31 HB2 TYR 31 8.842 19.092 10.177 240 2HB TYR 31 HB1 TYR 31 8.719 20.326 8.972 241 HD1 TYR 31 HD1 TYR 31 7.113 17.161 10.242 242 HD2 TYR 31 HD2 TYR 31 6.699 20.610 7.743 243 HE1 TYR 31 HE1 TYR 31 4.734 16.658 9.916 244 HE2 TYR 31 HE2 TYR 31 4.299 20.059 7.447 245 HH TYR 31 HH TYR 31 2.776 17.333 8.987 246 H LYS 32 HN LYS 32 10.068 20.439 6.971 247 HA LYS 32 HA LYS 32 8.263 20.154 4.713 248 1HB LYS 32 HB2 LYS 32 10.888 21.714 4.808 249 2HB LYS 32 HB1 LYS 32 9.698 21.734 3.534 250 1HG LYS 32 HG2 LYS 32 9.180 22.695 6.330 251 2HG LYS 32 HG1 LYS 32 9.414 23.650 4.895 252 1HD LYS 32 HD2 LYS 32 7.420 22.161 3.869 253 2HD LYS 32 HD1 LYS 32 7.106 21.773 5.546 254 1HE LYS 32 HE2 LYS 32 5.702 23.646 4.916 255 2HE LYS 32 HE1 LYS 32 6.932 24.180 6.074 256 1HZ LYS 32 HZ1 LYS 32 6.627 25.041 3.363 257 2HZ LYS 32 HZ2 LYS 32 8.082 24.188 3.556 258 3HZ LYS 32 HZ3 LYS 32 7.765 25.543 4.527 259 H GLN 33 HN GLN 33 11.710 19.323 4.967 260 HA GLN 33 HA GLN 33 11.687 18.198 2.263 261 1HB GLN 33 HB2 GLN 33 13.687 18.956 3.811 262 2HB GLN 33 HB1 GLN 33 13.642 17.319 4.424 263 1HG GLN 33 HG2 GLN 33 15.246 17.500 2.509 264 2HG GLN 33 HG1 GLN 33 13.899 16.515 1.973 265 1HE2 GLN 33 HE21 GLN 33 14.073 17.054 -0.269 266 2HE2 GLN 33 HE22 GLN 33 13.838 18.608 -0.868 267 H ALA 34 HN ALA 34 11.154 16.826 5.521 268 HA ALA 34 HA ALA 34 10.963 14.083 4.732 269 1HB ALA 34 HB1 ALA 34 11.283 14.829 7.085 270 2HB ALA 34 HB2 ALA 34 9.841 13.840 6.964 271 3HB ALA 34 HB3 ALA 34 9.702 15.574 7.038 272 H THR 35 HN THR 35 8.632 16.671 4.499 273 HA THR 35 HA THR 35 6.601 14.655 3.564 274 HB THR 35 HB THR 35 4.758 16.138 4.327 275 HG1 THR 35 HG1 THR 35 6.922 17.714 5.233 276 1HG2 THR 35 HG21 THR 35 5.241 16.266 6.718 277 2HG2 THR 35 HG22 THR 35 6.976 16.127 6.435 278 3HG2 THR 35 HG23 THR 35 5.929 14.747 6.144 279 H VAL 36 HN VAL 36 7.547 17.885 2.925 280 HA VAL 36 HA VAL 36 5.911 17.981 0.435 281 HB VAL 36 HB VAL 36 7.781 20.146 1.456 282 1HG1 VAL 36 HG11 VAL 36 6.266 21.651 0.159 283 2HG1 VAL 36 HG12 VAL 36 5.312 20.262 -0.347 284 3HG1 VAL 36 HG13 VAL 36 6.977 20.431 -0.881 285 1HG2 VAL 36 HG21 VAL 36 6.194 19.683 3.261 286 2HG2 VAL 36 HG22 VAL 36 4.835 19.842 2.141 287 3HG2 VAL 36 HG23 VAL 36 5.851 21.236 2.501 288 H GLY 37 HN GLY 37 9.233 18.437 1.226 289 1HA GLY 37 HA2 GLY 37 10.951 17.207 -0.271 290 2HA GLY 37 HA1 GLY 37 10.074 17.857 -1.637 291 H ASP 38 HN ASP 38 12.068 18.799 -2.480 292 HA ASP 38 HA ASP 38 13.833 20.414 -1.197 293 1HB ASP 38 HB2 ASP 38 13.034 20.878 -4.064 294 2HB ASP 38 HB1 ASP 38 14.653 20.704 -3.328 295 H ILE 39 HN ILE 39 13.761 22.427 -0.441 296 HA ILE 39 HA ILE 39 11.522 24.213 -0.301 297 HB ILE 39 HB ILE 39 13.632 24.265 0.976 298 1HG1 ILE 39 HG12 ILE 39 12.472 26.793 -0.260 299 2HG1 ILE 39 HG11 ILE 39 11.744 25.776 0.936 300 1HG2 ILE 39 HG21 ILE 39 14.615 25.821 -1.466 301 2HG2 ILE 39 HG22 ILE 39 15.222 24.238 -0.893 302 3HG2 ILE 39 HG23 ILE 39 15.377 25.709 0.067 303 1HD1 ILE 39 HD1 ILE 39 14.452 27.177 1.278 304 2HD1 ILE 39 HD2 ILE 39 13.694 26.126 2.436 305 3HD1 ILE 39 HD3 ILE 39 12.974 27.664 2.066 306 H ASN 40 HN ASN 40 10.315 24.814 -1.936 307 HA ASN 40 HA ASN 40 11.546 25.792 -4.471 308 1HB ASN 40 HB2 ASN 40 9.362 24.894 -5.479 309 2HB ASN 40 HB1 ASN 40 10.347 23.627 -4.754 310 1HD2 ASN 40 HD21 ASN 40 9.624 22.692 -2.751 311 2HD2 ASN 40 HD22 ASN 40 8.002 22.938 -2.238 312 H THR 41 HN THR 41 10.899 27.017 -1.933 313 HA THR 41 HA THR 41 8.784 28.974 -2.643 314 HB THR 41 HB THR 41 8.886 29.554 -0.193 315 HG1 THR 41 HG1 THR 41 10.552 27.955 0.741 316 1HG2 THR 41 HG21 THR 41 8.422 27.331 0.818 317 2HG2 THR 41 HG22 THR 41 9.313 26.499 -0.446 318 3HG2 THR 41 HG23 THR 41 7.760 27.243 -0.809 319 H GLU 42 HN GLU 42 9.107 31.163 -2.268 320 HA GLU 42 HA GLU 42 11.366 32.221 -3.524 321 1HB GLU 42 HB2 GLU 42 9.450 33.637 -1.684 322 2HB GLU 42 HB1 GLU 42 10.591 34.353 -2.800 323 1HG GLU 42 HG2 GLU 42 9.441 33.222 -4.755 324 2HG GLU 42 HG1 GLU 42 8.227 32.588 -3.673 325 H ARG 43 HN ARG 43 13.261 31.979 -2.837 326 HA ARG 43 HA ARG 43 14.194 32.111 -0.142 327 1HB ARG 43 HB2 ARG 43 15.479 31.050 -2.021 328 2HB ARG 43 HB1 ARG 43 15.550 32.586 -2.759 329 1HG ARG 43 HG2 ARG 43 16.833 33.449 -0.665 330 2HG ARG 43 HG1 ARG 43 16.743 31.783 -0.102 331 1HD ARG 43 HD2 ARG 43 18.119 31.106 -2.095 332 2HD ARG 43 HD1 ARG 43 17.985 32.723 -2.780 333 HE ARG 43 HE ARG 43 19.845 33.326 -1.328 334 1HH1 ARG 43 HH21 ARG 43 20.626 30.589 -0.786 335 2HH1 ARG 43 HH22 ARG 43 20.367 30.527 0.953 336 1HH2 ARG 43 HH11 ARG 43 18.437 33.373 0.895 337 2HH2 ARG 43 HH12 ARG 43 19.019 32.086 1.944 338 HA PRO 44 HA PRO 44 14.340 36.625 -0.099 339 1HB PRO 44 HB2 PRO 44 14.692 37.094 2.460 340 2HB PRO 44 HB1 PRO 44 13.287 36.137 1.943 341 1HG PRO 44 HG2 PRO 44 16.108 35.031 2.599 342 2HG PRO 44 HG1 PRO 44 14.687 34.710 3.585 343 1HD PRO 44 HD2 PRO 44 15.275 32.915 1.549 344 2HD PRO 44 HD1 PRO 44 13.643 33.516 1.912 345 H GLY 45 HN GLY 45 15.861 38.297 0.692 346 1HA GLY 45 HA2 GLY 45 18.754 37.547 0.226 347 2HA GLY 45 HA1 GLY 45 18.103 39.179 -0.017 348 H MET 46 HN MET 46 17.906 40.548 1.892 349 HA MET 46 HA MET 46 19.546 39.799 4.158 350 1HB MET 46 HB2 MET 46 18.499 42.234 3.253 351 2HB MET 46 HB1 MET 46 17.486 41.930 4.649 352 1HG MET 46 HG2 MET 46 19.590 41.570 6.026 353 2HG MET 46 HG1 MET 46 20.531 41.927 4.614 354 1HE MET 46 HE1 MET 46 18.152 43.792 7.440 355 2HE MET 46 HE2 MET 46 19.655 44.627 7.849 356 3HE MET 46 HE3 MET 46 19.645 42.886 7.764 357 H LEU 47 HN LEU 47 18.253 40.228 6.551 358 HA LEU 47 HA LEU 47 16.489 37.883 6.523 359 1HB LEU 47 HB2 LEU 47 18.108 38.106 8.386 360 2HB LEU 47 HB1 LEU 47 17.327 39.586 8.908 361 HG LEU 47 HG LEU 47 15.247 38.388 9.484 362 1HD1 LEU 47 HD11 LEU 47 15.219 36.648 7.547 363 2HD1 LEU 47 HD12 LEU 47 15.054 35.897 9.097 364 3HD1 LEU 47 HD13 LEU 47 16.624 35.918 8.368 365 1HD2 LEU 47 HD21 LEU 47 16.164 36.806 11.168 366 2HD2 LEU 47 HD22 LEU 47 17.163 38.250 11.098 367 3HD2 LEU 47 HD23 LEU 47 17.700 36.764 10.331 368 H ASP 48 HN ASP 48 15.781 41.422 7.225 369 HA ASP 48 HA ASP 48 13.691 42.307 7.704 370 1HB ASP 48 HB2 ASP 48 13.812 41.732 5.280 371 2HB ASP 48 HB1 ASP 48 13.105 40.161 5.640 372 H PHE 49 HN PHE 49 12.432 39.273 6.956 373 HA PHE 49 HA PHE 49 10.949 38.855 9.474 374 1HB PHE 49 HB2 PHE 49 9.366 37.517 7.929 375 2HB PHE 49 HB1 PHE 49 9.693 39.081 7.159 376 HD1 PHE 49 HD1 PHE 49 10.434 35.559 7.211 377 HD2 PHE 49 HD2 PHE 49 11.385 39.244 5.342 378 HE1 PHE 49 HE1 PHE 49 11.802 34.375 5.519 379 HE2 PHE 49 HE2 PHE 49 12.773 38.071 3.704 380 HZ PHE 49 HZ PHE 49 13.000 35.610 3.891 381 H LYS 50 HN LYS 50 11.284 37.189 10.836 382 HA LYS 50 HA LYS 50 13.659 35.613 10.452 383 1HB LYS 50 HB2 LYS 50 11.569 36.147 12.619 384 2HB LYS 50 HB1 LYS 50 12.995 35.135 12.865 385 1HG LYS 50 HG2 LYS 50 14.477 36.894 12.728 386 2HG LYS 50 HG1 LYS 50 13.655 37.713 11.433 387 1HD LYS 50 HD2 LYS 50 11.953 38.279 13.539 388 2HD LYS 50 HD1 LYS 50 13.444 38.034 14.404 389 1HE LYS 50 HE2 LYS 50 13.852 40.251 13.900 390 2HE LYS 50 HE1 LYS 50 14.424 39.600 12.374 391 1HZ LYS 50 HZ1 LYS 50 12.689 40.607 11.281 392 2HZ LYS 50 HZ2 LYS 50 12.291 41.367 12.730 393 3HZ LYS 50 HZ3 LYS 50 11.590 39.887 12.314 394 H GLY 51 HN GLY 51 12.872 35.068 8.780 395 1HA GLY 51 HA2 GLY 51 11.580 32.439 8.402 396 2HA GLY 51 HA1 GLY 51 11.086 33.706 7.311 397 H LYS 52 HN LYS 52 13.599 35.115 6.787 398 HA LYS 52 HA LYS 52 14.814 33.318 4.938 399 1HB LYS 52 HB2 LYS 52 15.714 35.696 5.122 400 2HB LYS 52 HB1 LYS 52 16.448 35.279 6.639 401 1HG LYS 52 HG2 LYS 52 17.638 33.346 5.240 402 2HG LYS 52 HG1 LYS 52 17.304 34.401 3.923 403 1HD LYS 52 HD2 LYS 52 18.519 36.248 4.908 404 2HD LYS 52 HD1 LYS 52 18.757 35.370 6.412 405 1HE LYS 52 HE2 LYS 52 19.833 34.585 3.660 406 2HE LYS 52 HE1 LYS 52 20.787 35.230 4.985 407 1HZ LYS 52 HZ1 LYS 52 19.327 33.017 5.973 408 2HZ LYS 52 HZ2 LYS 52 20.991 33.123 5.786 409 3HZ LYS 52 HZ3 LYS 52 19.978 32.530 4.543 410 H ALA 53 HN ALA 53 15.782 33.440 8.336 411 HA ALA 53 HA ALA 53 17.945 31.553 8.185 412 1HB ALA 53 HB1 ALA 53 17.436 31.091 10.596 413 2HB ALA 53 HB2 ALA 53 15.885 31.877 10.438 414 3HB ALA 53 HB3 ALA 53 17.361 32.810 10.273 415 H LYS 54 HN LYS 54 14.549 31.096 8.792 416 HA LYS 54 HA LYS 54 14.430 28.299 8.759 417 1HB LYS 54 HB2 LYS 54 12.834 29.711 9.887 418 2HB LYS 54 HB1 LYS 54 12.646 30.730 8.525 419 1HG LYS 54 HG2 LYS 54 10.690 29.332 9.152 420 2HG LYS 54 HG1 LYS 54 11.126 29.424 7.458 421 1HD LYS 54 HD2 LYS 54 10.542 27.233 8.316 422 2HD LYS 54 HD1 LYS 54 12.057 27.265 7.447 423 1HE LYS 54 HE2 LYS 54 12.901 27.644 10.066 424 2HE LYS 54 HE1 LYS 54 11.463 26.724 10.332 425 1HZ LYS 54 HZ1 LYS 54 12.663 24.886 9.691 426 2HZ LYS 54 HZ2 LYS 54 13.966 25.840 9.263 427 3HZ LYS 54 HZ3 LYS 54 12.782 25.568 8.108 428 H TRP 55 HN TRP 55 13.993 30.553 5.965 429 HA TRP 55 HA TRP 55 13.203 28.596 4.145 430 1HB TRP 55 HB2 TRP 55 13.135 31.150 3.795 431 2HB TRP 55 HB1 TRP 55 14.866 31.126 3.583 432 HD1 TRP 55 HD1 TRP 55 11.577 30.217 1.770 433 HE1 TRP 55 HE1 TRP 55 12.285 29.371 -0.544 434 HE3 TRP 55 HE3 TRP 55 16.657 29.987 2.166 435 HZ2 TRP 55 HZ2 TRP 55 14.370 28.813 -2.054 436 HZ3 TRP 55 HZ3 TRP 55 17.995 29.255 0.253 437 HH2 TRP 55 HH2 TRP 55 16.899 28.651 -1.867 438 H ASP 56 HN ASP 56 16.197 30.140 4.681 439 HA ASP 56 HA ASP 56 17.865 28.432 3.105 440 1HB ASP 56 HB2 ASP 56 18.334 30.166 5.517 441 2HB ASP 56 HB1 ASP 56 19.634 29.164 4.928 442 H ALA 57 HN ALA 57 16.876 28.062 6.534 443 HA ALA 57 HA ALA 57 18.337 25.828 7.229 444 1HB ALA 57 HB1 ALA 57 15.506 26.594 8.051 445 2HB ALA 57 HB2 ALA 57 17.001 27.188 8.784 446 3HB ALA 57 HB3 ALA 57 16.551 25.493 8.944 447 H TRP 58 HN TRP 58 15.304 26.019 5.435 448 HA TRP 58 HA TRP 58 15.111 23.030 5.367 449 1HB TRP 58 HB2 TRP 58 13.100 24.337 5.469 450 2HB TRP 58 HB1 TRP 58 13.561 25.305 4.123 451 HD1 TRP 58 HD1 TRP 58 14.219 21.474 3.548 452 HE1 TRP 58 HE1 TRP 58 12.369 20.816 1.886 453 HE3 TRP 58 HE3 TRP 58 11.305 25.573 3.619 454 HZ2 TRP 58 HZ2 TRP 58 9.926 21.789 0.767 455 HZ3 TRP 58 HZ3 TRP 58 9.209 25.728 2.317 456 HH2 TRP 58 HH2 TRP 58 8.528 23.814 0.881 457 H ASN 59 HN ASN 59 15.943 25.738 3.176 458 HA ASN 59 HA ASN 59 16.462 24.300 0.859 459 1HB ASN 59 HB2 ASN 59 16.612 26.859 0.956 460 2HB ASN 59 HB1 ASN 59 17.846 26.677 2.160 461 1HD2 ASN 59 HD21 ASN 59 19.644 27.330 1.433 462 2HD2 ASN 59 HD22 ASN 59 20.335 26.864 -0.072 463 H GLU 60 HN GLU 60 18.561 24.842 3.518 464 HA GLU 60 HA GLU 60 20.969 23.705 2.774 465 1HB GLU 60 HB2 GLU 60 20.216 24.911 4.950 466 2HB GLU 60 HB1 GLU 60 19.673 23.351 5.515 467 1HG GLU 60 HG2 GLU 60 21.930 23.719 6.381 468 2HG GLU 60 HG1 GLU 60 22.110 22.537 5.096 469 H LEU 61 HN LEU 61 17.974 22.216 3.494 470 HA LEU 61 HA LEU 61 18.910 19.410 3.443 471 1HB LEU 61 HB2 LEU 61 16.062 20.282 3.854 472 2HB LEU 61 HB1 LEU 61 16.822 18.767 4.297 473 HG LEU 61 HG LEU 61 17.361 21.469 5.602 474 1HD1 LEU 61 HD11 LEU 61 15.129 20.402 6.035 475 2HD1 LEU 61 HD12 LEU 61 16.151 20.323 7.470 476 3HD1 LEU 61 HD13 LEU 61 15.931 18.897 6.473 477 1HD2 LEU 61 HD21 LEU 61 18.699 20.201 7.174 478 2HD2 LEU 61 HD22 LEU 61 19.351 19.912 5.582 479 3HD2 LEU 61 HD23 LEU 61 18.355 18.682 6.365 480 H LYS 62 HN LYS 62 17.594 21.736 1.160 481 HA LYS 62 HA LYS 62 15.830 20.941 -0.271 482 1HB LYS 62 HB2 LYS 62 17.100 22.710 -0.955 483 2HB LYS 62 HB1 LYS 62 18.613 21.884 -0.785 484 1HG LYS 62 HG2 LYS 62 18.254 20.646 -2.858 485 2HG LYS 62 HG1 LYS 62 16.672 21.348 -3.060 486 1HD LYS 62 HD2 LYS 62 19.156 23.168 -2.790 487 2HD LYS 62 HD1 LYS 62 18.892 22.367 -4.313 488 1HE LYS 62 HE2 LYS 62 17.805 24.472 -4.582 489 2HE LYS 62 HE1 LYS 62 16.508 23.341 -4.239 490 1HZ LYS 62 HZ1 LYS 62 15.967 24.516 -2.451 491 2HZ LYS 62 HZ2 LYS 62 17.207 25.640 -2.689 492 3HZ LYS 62 HZ3 LYS 62 17.537 24.313 -1.777 493 H GLY 63 HN GLY 63 18.571 18.762 -0.708 494 1HA GLY 63 HA2 GLY 63 16.762 17.174 -2.450 495 2HA GLY 63 HA1 GLY 63 18.504 17.247 -2.644 496 H THR 64 HN THR 64 17.633 17.201 0.427 497 HA THR 64 HA THR 64 18.856 14.737 1.268 498 HB THR 64 HB THR 64 17.111 16.741 2.636 499 HG1 THR 64 HG1 THR 64 19.026 16.779 3.496 500 1HG2 THR 64 HG21 THR 64 16.722 15.377 4.633 501 2HG2 THR 64 HG22 THR 64 17.450 13.973 3.915 502 3HG2 THR 64 HG23 THR 64 15.901 14.553 3.329 503 H SER 65 HN SER 65 17.610 12.892 2.425 504 HA SER 65 HA SER 65 15.680 11.761 0.519 505 1HB SER 65 HB2 SER 65 16.264 9.659 1.951 506 2HB SER 65 HB1 SER 65 17.641 10.339 1.062 507 HG SER 65 HG1 SER 65 17.658 10.050 3.571 508 H LYS 66 HN LYS 66 13.555 11.634 1.095 509 HA LYS 66 HA LYS 66 12.333 13.018 3.068 510 1HB LYS 66 HB2 LYS 66 11.367 11.798 1.023 511 2HB LYS 66 HB1 LYS 66 11.477 10.294 1.904 512 1HG LYS 66 HG2 LYS 66 9.791 11.003 3.524 513 2HG LYS 66 HG1 LYS 66 9.938 12.658 2.972 514 1HD LYS 66 HD2 LYS 66 7.851 11.714 2.096 515 2HD LYS 66 HD1 LYS 66 8.941 12.108 0.792 516 1HE LYS 66 HE2 LYS 66 9.600 9.687 0.630 517 2HE LYS 66 HE1 LYS 66 8.465 9.303 1.927 518 1HZ LYS 66 HZ1 LYS 66 7.166 10.915 0.024 519 2HZ LYS 66 HZ2 LYS 66 6.777 9.298 0.373 520 3HZ LYS 66 HZ3 LYS 66 7.909 9.672 -0.825 521 H GLU 67 HN GLU 67 13.085 9.627 3.199 522 HA GLU 67 HA GLU 67 12.235 8.969 5.722 523 1HB GLU 67 HB2 GLU 67 14.380 7.939 3.753 524 2HB GLU 67 HB1 GLU 67 13.850 6.981 5.113 525 1HG GLU 67 HG2 GLU 67 11.566 6.854 4.332 526 2HG GLU 67 HG1 GLU 67 11.761 8.114 3.149 527 H ASP 68 HN ASP 68 15.720 10.051 4.975 528 HA ASP 68 HA ASP 68 16.411 9.865 7.731 529 1HB ASP 68 HB2 ASP 68 17.382 11.288 5.252 530 2HB ASP 68 HB1 ASP 68 18.240 11.429 6.775 531 H ALA 69 HN ALA 69 15.162 12.367 5.850 532 HA ALA 69 HA ALA 69 15.249 14.429 7.873 533 1HB ALA 69 HB1 ALA 69 13.438 15.503 6.534 534 2HB ALA 69 HB2 ALA 69 13.077 13.960 5.767 535 3HB ALA 69 HB3 ALA 69 14.598 14.741 5.455 536 H MET 70 HN MET 70 12.599 12.037 7.070 537 HA MET 70 HA MET 70 10.940 12.546 9.195 538 1HB MET 70 HB2 MET 70 11.705 10.149 7.513 539 2HB MET 70 HB1 MET 70 10.584 9.926 8.781 540 1HG MET 70 HG2 MET 70 9.330 11.950 7.637 541 2HG MET 70 HG1 MET 70 10.507 11.839 6.376 542 1HE MET 70 HE1 MET 70 7.473 12.033 6.726 543 2HE MET 70 HE2 MET 70 6.521 10.599 6.435 544 3HE MET 70 HE3 MET 70 7.192 11.514 5.074 545 H LYS 71 HN LYS 71 13.365 10.097 9.066 546 HA LYS 71 HA LYS 71 13.389 9.061 11.642 547 1HB LYS 71 HB2 LYS 71 15.861 9.565 9.897 548 2HB LYS 71 HB1 LYS 71 15.873 8.569 11.335 549 1HG LYS 71 HG2 LYS 71 14.122 7.103 10.268 550 2HG LYS 71 HG1 LYS 71 14.331 7.981 8.771 551 1HD LYS 71 HD2 LYS 71 16.628 6.665 10.297 552 2HD LYS 71 HD1 LYS 71 15.767 5.820 9.039 553 1HE LYS 71 HE2 LYS 71 17.374 8.394 8.668 554 2HE LYS 71 HE1 LYS 71 17.930 6.804 8.234 555 1HZ LYS 71 HZ1 LYS 71 16.868 7.003 6.248 556 2HZ LYS 71 HZ2 LYS 71 16.352 8.490 6.644 557 3HZ LYS 71 HZ3 LYS 71 15.372 7.186 7.076 558 H ALA 72 HN ALA 72 15.772 11.498 10.577 559 HA ALA 72 HA ALA 72 16.797 12.185 13.017 560 1HB ALA 72 HB1 ALA 72 16.425 13.814 10.450 561 2HB ALA 72 HB2 ALA 72 17.768 12.754 10.820 562 3HB ALA 72 HB3 ALA 72 17.564 14.228 11.733 563 H TYR 73 HN TYR 73 14.022 13.647 11.290 564 HA TYR 73 HA TYR 73 13.500 15.784 13.019 565 1HB TYR 73 HB2 TYR 73 12.495 15.440 10.805 566 2HB TYR 73 HB1 TYR 73 11.752 13.958 11.300 567 HD1 TYR 73 HD1 TYR 73 9.668 14.026 12.774 568 HD2 TYR 73 HD2 TYR 73 11.589 17.541 11.340 569 HE1 TYR 73 HE1 TYR 73 7.666 15.381 13.326 570 HE2 TYR 73 HE2 TYR 73 9.652 18.840 11.858 571 HH TYR 73 HH TYR 73 7.444 18.746 12.428 572 H ILE 74 HN ILE 74 12.240 12.577 12.952 573 HA ILE 74 HA ILE 74 10.676 12.610 15.334 574 HB ILE 74 HB ILE 74 12.066 10.254 13.981 575 1HG1 ILE 74 HG12 ILE 74 9.135 11.002 13.895 576 2HG1 ILE 74 HG11 ILE 74 10.247 11.667 12.707 577 1HG2 ILE 74 HG21 ILE 74 9.787 10.317 16.050 578 2HG2 ILE 74 HG22 ILE 74 11.428 9.771 16.364 579 3HG2 ILE 74 HG23 ILE 74 10.426 8.880 15.267 580 1HD1 ILE 74 HD1 ILE 74 9.260 9.571 11.829 581 2HD1 ILE 74 HD2 ILE 74 9.849 8.689 13.223 582 3HD1 ILE 74 HD3 ILE 74 10.978 9.382 12.087 583 H ASP 75 HN ASP 75 13.933 11.121 15.015 584 HA ASP 75 HA ASP 75 14.214 10.552 17.752 585 1HB ASP 75 HB2 ASP 75 16.061 11.099 15.372 586 2HB ASP 75 HB1 ASP 75 16.694 10.588 16.912 587 H LYS 76 HN LYS 76 15.087 13.358 15.855 588 HA LYS 76 HA LYS 76 16.212 14.959 17.928 589 1HB LYS 76 HB2 LYS 76 15.688 15.527 15.288 590 2HB LYS 76 HB1 LYS 76 14.357 16.365 15.998 591 1HG LYS 76 HG2 LYS 76 15.811 18.082 16.370 592 2HG LYS 76 HG1 LYS 76 16.345 17.166 17.758 593 1HD LYS 76 HD2 LYS 76 17.893 15.962 15.865 594 2HD LYS 76 HD1 LYS 76 17.649 17.475 15.051 595 1HE LYS 76 HE2 LYS 76 19.474 18.199 16.233 596 2HE LYS 76 HE1 LYS 76 18.331 18.380 17.557 597 1HZ LYS 76 HZ1 LYS 76 20.446 16.452 17.398 598 2HZ LYS 76 HZ2 LYS 76 18.945 15.655 17.487 599 3HZ LYS 76 HZ3 LYS 76 19.341 16.714 18.641 600 H VAL 77 HN VAL 77 12.777 14.716 16.872 601 HA VAL 77 HA VAL 77 11.756 16.467 18.841 602 HB VAL 77 HB VAL 77 10.503 14.063 17.394 603 1HG1 VAL 77 HG11 VAL 77 9.351 14.439 19.646 604 2HG1 VAL 77 HG12 VAL 77 8.304 14.924 18.332 605 3HG1 VAL 77 HG13 VAL 77 9.189 16.133 19.230 606 1HG2 VAL 77 HG21 VAL 77 9.248 15.933 16.206 607 2HG2 VAL 77 HG22 VAL 77 10.982 16.133 16.007 608 3HG2 VAL 77 HG23 VAL 77 10.097 17.093 17.175 609 H GLU 78 HN GLU 78 12.236 12.947 18.985 610 HA GLU 78 HA GLU 78 11.145 12.573 21.591 611 1HB GLU 78 HB2 GLU 78 12.230 10.695 20.174 612 2HB GLU 78 HB1 GLU 78 13.776 11.202 20.819 613 1HG GLU 78 HG2 GLU 78 12.085 11.177 23.160 614 2HG GLU 78 HG1 GLU 78 11.446 9.874 22.201 615 H GLU 79 HN GLU 79 14.450 13.753 20.645 616 HA GLU 79 HA GLU 79 15.500 13.962 23.277 617 1HB GLU 79 HB2 GLU 79 15.978 15.990 20.978 618 2HB GLU 79 HB1 GLU 79 17.066 15.618 22.286 619 1HG GLU 79 HG2 GLU 79 17.668 13.462 21.273 620 2HG GLU 79 HG1 GLU 79 16.446 13.624 20.049 621 H LEU 80 HN LEU 80 13.909 16.313 21.197 622 HA LEU 80 HA LEU 80 13.475 18.367 23.119 623 1HB LEU 80 HB2 LEU 80 11.502 17.614 20.907 624 2HB LEU 80 HB1 LEU 80 11.580 19.168 21.685 625 HG LEU 80 HG LEU 80 13.643 17.948 19.808 626 1HD1 LEU 80 HD11 LEU 80 11.774 20.352 19.561 627 2HD1 LEU 80 HD12 LEU 80 11.556 18.820 18.734 628 3HD1 LEU 80 HD13 LEU 80 12.937 19.832 18.349 629 1HD2 LEU 80 HD21 LEU 80 14.790 19.352 21.472 630 2HD2 LEU 80 HD22 LEU 80 13.675 20.676 21.132 631 3HD2 LEU 80 HD23 LEU 80 14.751 20.073 19.888 632 H LYS 81 HN LYS 81 11.729 15.490 22.736 633 HA LYS 81 HA LYS 81 9.455 16.366 24.362 634 1HB LYS 81 HB2 LYS 81 9.281 14.559 22.700 635 2HB LYS 81 HB1 LYS 81 10.354 13.539 23.644 636 1HG LYS 81 HG2 LYS 81 8.761 13.831 25.614 637 2HG LYS 81 HG1 LYS 81 7.714 14.736 24.567 638 1HD LYS 81 HD2 LYS 81 7.057 12.936 23.292 639 2HD LYS 81 HD1 LYS 81 8.496 11.983 23.609 640 1HE LYS 81 HE2 LYS 81 6.382 12.720 25.684 641 2HE LYS 81 HE1 LYS 81 6.482 11.166 24.851 642 1HZ LYS 81 HZ1 LYS 81 7.999 12.074 27.094 643 2HZ LYS 81 HZ2 LYS 81 9.063 11.691 25.818 644 3HZ LYS 81 HZ3 LYS 81 7.946 10.538 26.399 645 H LYS 82 HN LYS 82 12.324 14.480 24.924 646 HA LYS 82 HA LYS 82 11.682 14.142 27.791 647 1HB LYS 82 HB2 LYS 82 14.160 13.720 26.069 648 2HB LYS 82 HB1 LYS 82 14.118 13.306 27.787 649 1HG LYS 82 HG2 LYS 82 12.536 11.580 27.468 650 2HG LYS 82 HG1 LYS 82 11.792 12.350 26.088 651 1HD LYS 82 HD2 LYS 82 12.916 10.350 25.512 652 2HD LYS 82 HD1 LYS 82 13.562 11.710 24.609 653 1HE LYS 82 HE2 LYS 82 15.528 11.763 25.913 654 2HE LYS 82 HE1 LYS 82 14.856 10.658 27.106 655 1HZ LYS 82 HZ1 LYS 82 16.144 9.982 24.622 656 2HZ LYS 82 HZ2 LYS 82 14.586 9.421 24.572 657 3HZ LYS 82 HZ3 LYS 82 15.596 8.936 25.824 658 H LYS 83 HN LYS 83 13.534 16.373 25.869 659 HA LYS 83 HA LYS 83 14.700 17.855 28.037 660 1HB LYS 83 HB2 LYS 83 15.230 17.627 25.463 661 2HB LYS 83 HB1 LYS 83 14.141 18.955 25.295 662 1HG LYS 83 HG2 LYS 83 15.464 20.466 26.596 663 2HG LYS 83 HG1 LYS 83 16.502 19.181 27.202 664 1HD LYS 83 HD2 LYS 83 17.795 20.140 25.396 665 2HD LYS 83 HD1 LYS 83 17.127 18.675 24.755 666 1HE LYS 83 HE2 LYS 83 16.685 20.111 23.014 667 2HE LYS 83 HE1 LYS 83 15.164 20.222 23.878 668 1HZ LYS 83 HZ1 LYS 83 16.992 22.032 25.051 669 2HZ LYS 83 HZ2 LYS 83 15.659 22.536 24.119 670 3HZ LYS 83 HZ3 LYS 83 17.049 22.173 23.348 671 H TYR 84 HN TYR 84 11.981 18.415 26.094 672 HA TYR 84 HA TYR 84 11.108 20.739 27.785 673 1HB TYR 84 HB2 TYR 84 10.300 19.998 24.947 674 2HB TYR 84 HB1 TYR 84 9.630 21.338 25.843 675 HD1 TYR 84 HD1 TYR 84 12.016 20.569 23.463 676 HD2 TYR 84 HD2 TYR 84 11.535 22.924 26.967 677 HE1 TYR 84 HE1 TYR 84 13.834 22.056 22.710 678 HE2 TYR 84 HE2 TYR 84 13.338 24.398 26.226 679 HH TYR 84 HH TYR 84 14.651 24.958 24.447 680 H GLY 85 HN GLY 85 9.836 17.670 26.636 681 1HA GLY 85 HA2 GLY 85 8.026 16.401 27.432 682 2HA GLY 85 HA1 GLY 85 7.811 17.587 28.697 683 H ILE 86 HN ILE 86 5.851 16.334 27.646 684 HA ILE 86 HA ILE 86 4.206 18.432 26.192 685 HB ILE 86 HB ILE 86 4.817 16.583 24.671 686 1HG1 ILE 86 HG12 ILE 86 1.851 16.475 25.355 687 2HG1 ILE 86 HG11 ILE 86 2.591 17.760 24.439 688 1HG2 ILE 86 HG21 ILE 86 3.960 14.288 25.057 689 2HG2 ILE 86 HG22 ILE 86 3.323 14.785 26.619 690 3HG2 ILE 86 HG23 ILE 86 5.060 14.765 26.335 691 1HD1 ILE 86 HD1 ILE 86 3.327 16.076 22.715 692 2HD1 ILE 86 HD2 ILE 86 1.586 16.088 22.900 693 3HD1 ILE 86 HD3 ILE 86 2.525 14.805 23.613 Start of MODEL 19 1 1H SER 1 HT1 SER 1 4.921 3.673 5.264 2 2H SER 1 HT2 SER 1 6.277 2.921 5.980 3 3H SER 1 HT3 SER 1 6.259 4.594 5.783 4 HA SER 1 HA SER 1 4.025 3.892 7.342 5 1HB SER 1 HB2 SER 1 5.446 2.667 9.212 6 2HB SER 1 HB1 SER 1 5.021 1.696 7.787 7 HG SER 1 HG1 SER 1 7.449 2.898 8.476 8 H GLN 2 HN GLN 2 4.037 6.262 7.617 9 HA GLN 2 HA GLN 2 6.460 7.371 8.954 10 1HB GLN 2 HB2 GLN 2 5.661 9.513 8.200 11 2HB GLN 2 HB1 GLN 2 5.658 8.405 6.847 12 1HG GLN 2 HG2 GLN 2 3.182 8.090 7.077 13 2HG GLN 2 HG1 GLN 2 3.181 9.089 8.523 14 1HE2 GLN 2 HE21 GLN 2 2.461 11.240 7.999 15 2HE2 GLN 2 HE22 GLN 2 2.792 11.923 6.474 16 H ALA 3 HN ALA 3 3.904 6.007 10.205 17 HA ALA 3 HA ALA 3 2.471 7.678 11.860 18 1HB ALA 3 HB1 ALA 3 3.852 5.092 12.726 19 2HB ALA 3 HB2 ALA 3 2.304 5.178 11.906 20 3HB ALA 3 HB3 ALA 3 2.474 5.812 13.528 21 H GLU 4 HN GLU 4 5.732 6.469 12.780 22 HA GLU 4 HA GLU 4 5.870 8.110 15.079 23 1HB GLU 4 HB2 GLU 4 8.288 7.356 13.470 24 2HB GLU 4 HB1 GLU 4 8.209 7.620 15.176 25 1HG GLU 4 HG2 GLU 4 6.901 5.181 13.849 26 2HG GLU 4 HG1 GLU 4 8.212 5.192 15.003 27 H PHE 5 HN PHE 5 6.291 9.078 11.872 28 HA PHE 5 HA PHE 5 7.826 11.531 12.552 29 1HB PHE 5 HB2 PHE 5 8.051 10.481 10.219 30 2HB PHE 5 HB1 PHE 5 6.315 10.751 10.082 31 HD1 PHE 5 HD1 PHE 5 9.512 12.687 10.725 32 HD2 PHE 5 HD2 PHE 5 5.477 12.768 9.354 33 HE1 PHE 5 HE1 PHE 5 9.801 15.013 9.998 34 HE2 PHE 5 HE2 PHE 5 5.747 15.034 8.673 35 HZ PHE 5 HZ PHE 5 7.902 16.207 8.947 36 H ASP 6 HN ASP 6 4.417 10.823 11.310 37 HA ASP 6 HA ASP 6 3.506 13.421 11.831 38 1HB ASP 6 HB2 ASP 6 2.198 10.674 12.048 39 2HB ASP 6 HB1 ASP 6 1.329 12.184 11.984 40 H LYS 7 HN LYS 7 3.710 10.576 13.880 41 HA LYS 7 HA LYS 7 2.736 11.602 16.302 42 1HB LYS 7 HB2 LYS 7 3.487 9.249 15.968 43 2HB LYS 7 HB1 LYS 7 5.125 9.805 15.752 44 1HG LYS 7 HG2 LYS 7 5.284 10.556 18.105 45 2HG LYS 7 HG1 LYS 7 3.628 10.062 18.391 46 1HD LYS 7 HD2 LYS 7 5.804 8.133 17.365 47 2HD LYS 7 HD1 LYS 7 5.533 8.372 19.077 48 1HE LYS 7 HE2 LYS 7 3.246 7.528 18.875 49 2HE LYS 7 HE1 LYS 7 3.377 7.451 17.124 50 1HZ LYS 7 HZ1 LYS 7 5.580 6.060 18.160 51 2HZ LYS 7 HZ2 LYS 7 4.381 5.476 17.262 52 3HZ LYS 7 HZ3 LYS 7 4.219 5.438 18.972 53 H ALA 8 HN ALA 8 6.215 11.738 15.093 54 HA ALA 8 HA ALA 8 7.084 13.429 17.156 55 1HB ALA 8 HB1 ALA 8 7.884 13.298 14.229 56 2HB ALA 8 HB2 ALA 8 8.429 12.259 15.530 57 3HB ALA 8 HB3 ALA 8 8.892 13.964 15.509 58 H ALA 9 HN ALA 9 5.809 14.299 14.161 59 HA ALA 9 HA ALA 9 5.999 17.149 14.340 60 1HB ALA 9 HB1 ALA 9 4.019 15.415 12.801 61 2HB ALA 9 HB2 ALA 9 5.598 15.920 12.236 62 3HB ALA 9 HB3 ALA 9 4.318 17.105 12.444 63 H GLU 10 HN GLU 10 3.151 15.072 15.193 64 HA GLU 10 HA GLU 10 1.511 17.221 15.974 65 1HB GLU 10 HB2 GLU 10 1.583 14.259 16.792 66 2HB GLU 10 HB1 GLU 10 0.232 15.320 17.108 67 1HG GLU 10 HG2 GLU 10 -0.174 15.551 14.639 68 2HG GLU 10 HG1 GLU 10 1.239 14.575 14.311 69 H GLU 11 HN GLU 11 3.844 15.008 17.726 70 HA GLU 11 HA GLU 11 3.331 15.985 20.269 71 1HB GLU 11 HB2 GLU 11 5.712 14.794 18.796 72 2HB GLU 11 HB1 GLU 11 5.861 15.233 20.464 73 1HG GLU 11 HG2 GLU 11 3.659 13.362 19.527 74 2HG GLU 11 HG1 GLU 11 5.244 12.770 19.941 75 H VAL 12 HN VAL 12 5.845 17.049 18.014 76 HA VAL 12 HA VAL 12 6.900 19.168 19.627 77 HB VAL 12 HB VAL 12 7.523 18.110 17.193 78 1HG1 VAL 12 HG11 VAL 12 5.952 19.267 15.819 79 2HG1 VAL 12 HG12 VAL 12 7.563 19.836 15.455 80 3HG1 VAL 12 HG13 VAL 12 6.496 20.845 16.406 81 1HG2 VAL 12 HG21 VAL 12 9.293 19.939 17.060 82 2HG2 VAL 12 HG22 VAL 12 9.128 19.333 18.690 83 3HG2 VAL 12 HG23 VAL 12 8.380 20.859 18.240 84 H LYS 13 HN LYS 13 4.377 19.356 17.060 85 HA LYS 13 HA LYS 13 3.820 22.086 17.586 86 1HB LYS 13 HB2 LYS 13 2.068 19.816 16.503 87 2HB LYS 13 HB1 LYS 13 1.667 21.524 16.343 88 1HG LYS 13 HG2 LYS 13 3.921 21.903 15.248 89 2HG LYS 13 HG1 LYS 13 4.234 20.193 15.314 90 1HD LYS 13 HD2 LYS 13 1.848 20.166 13.954 91 2HD LYS 13 HD1 LYS 13 2.476 21.733 13.460 92 1HE LYS 13 HE2 LYS 13 4.726 20.477 13.025 93 2HE LYS 13 HE1 LYS 13 3.795 19.006 13.201 94 1HZ LYS 13 HZ1 LYS 13 3.078 19.252 11.026 95 2HZ LYS 13 HZ2 LYS 13 4.029 20.618 10.914 96 3HZ LYS 13 HZ3 LYS 13 2.417 20.754 11.448 97 H HIS 14 HN HIS 14 3.363 19.444 19.552 98 HA HIS 14 HA HIS 14 1.343 20.837 21.267 99 1HB HIS 14 HB2 HIS 14 1.956 17.894 20.883 100 2HB HIS 14 HB1 HIS 14 1.093 18.438 22.300 101 HD1 HIS 14 HD1 HIS 14 0.648 17.590 18.977 102 HD2 HIS 14 HD2 HIS 14 -1.449 19.861 21.582 103 HE1 HIS 14 HE1 HIS 14 -1.687 17.842 17.980 104 H LEU 15 HN LEU 15 4.538 20.969 21.246 105 HA LEU 15 HA LEU 15 5.200 19.790 23.814 106 1HB LEU 15 HB2 LEU 15 6.536 21.972 22.171 107 2HB LEU 15 HB1 LEU 15 7.208 21.429 23.687 108 HG LEU 15 HG LEU 15 6.561 19.557 21.454 109 1HD1 LEU 15 HD11 LEU 15 9.063 19.707 21.006 110 2HD1 LEU 15 HD12 LEU 15 9.178 20.972 22.220 111 3HD1 LEU 15 HD13 LEU 15 8.266 21.247 20.737 112 1HD2 LEU 15 HD21 LEU 15 6.810 18.483 23.666 113 2HD2 LEU 15 HD22 LEU 15 8.330 19.314 23.936 114 3HD2 LEU 15 HD23 LEU 15 8.183 18.094 22.661 115 H LYS 16 HN LYS 16 5.376 20.651 25.832 116 HA LYS 16 HA LYS 16 3.604 22.846 26.428 117 1HB LYS 16 HB2 LYS 16 3.749 21.954 28.519 118 2HB LYS 16 HB1 LYS 16 4.530 20.645 27.697 119 1HG LYS 16 HG2 LYS 16 6.779 21.585 28.151 120 2HG LYS 16 HG1 LYS 16 6.069 22.840 29.127 121 1HD LYS 16 HD2 LYS 16 6.084 19.811 29.549 122 2HD LYS 16 HD1 LYS 16 6.710 21.002 30.660 123 1HE LYS 16 HE2 LYS 16 3.824 20.194 30.114 124 2HE LYS 16 HE1 LYS 16 4.682 20.169 31.640 125 1HZ LYS 16 HZ1 LYS 16 3.175 22.213 30.477 126 2HZ LYS 16 HZ2 LYS 16 4.779 22.757 30.562 127 3HZ LYS 16 HZ3 LYS 16 3.968 22.280 31.985 128 H THR 17 HN THR 17 6.741 22.880 25.392 129 HA THR 17 HA THR 17 7.069 25.747 26.115 130 HB THR 17 HB THR 17 9.112 23.575 26.768 131 HG1 THR 17 HG1 THR 17 7.036 24.701 28.028 132 1HG2 THR 17 HG21 THR 17 10.315 25.315 28.016 133 2HG2 THR 17 HG22 THR 17 9.220 26.559 27.460 134 3HG2 THR 17 HG23 THR 17 10.365 25.781 26.341 135 H LYS 18 HN LYS 18 9.198 26.517 25.134 136 HA LYS 18 HA LYS 18 9.077 25.955 22.237 137 1HB LYS 18 HB2 LYS 18 9.983 28.159 21.894 138 2HB LYS 18 HB1 LYS 18 8.667 28.218 23.048 139 1HG LYS 18 HG2 LYS 18 10.457 28.155 24.905 140 2HG LYS 18 HG1 LYS 18 11.657 28.321 23.644 141 1HD LYS 18 HD2 LYS 18 10.464 30.445 22.868 142 2HD LYS 18 HD1 LYS 18 9.480 30.328 24.319 143 1HE LYS 18 HE2 LYS 18 11.615 30.258 25.679 144 2HE LYS 18 HE1 LYS 18 12.520 30.557 24.197 145 1HZ LYS 18 HZ1 LYS 18 12.073 32.744 24.408 146 2HZ LYS 18 HZ2 LYS 18 11.201 32.425 25.830 147 3HZ LYS 18 HZ3 LYS 18 10.413 32.433 24.336 148 HA PRO 19 HA PRO 19 13.234 24.079 22.447 149 1HB PRO 19 HB2 PRO 19 12.749 23.446 19.584 150 2HB PRO 19 HB1 PRO 19 13.132 22.373 20.929 151 1HG PRO 19 HG2 PRO 19 10.584 22.354 19.941 152 2HG PRO 19 HG1 PRO 19 10.804 22.334 21.695 153 1HD PRO 19 HD2 PRO 19 10.382 24.818 19.950 154 2HD PRO 19 HD1 PRO 19 9.401 24.246 21.340 155 H ALA 20 HN ALA 20 15.007 25.237 22.139 156 HA ALA 20 HA ALA 20 15.287 27.832 21.324 157 1HB ALA 20 HB1 ALA 20 17.356 25.622 20.917 158 2HB ALA 20 HB2 ALA 20 17.093 26.511 22.408 159 3HB ALA 20 HB3 ALA 20 17.749 27.331 20.998 160 H ASP 21 HN ASP 21 16.108 29.009 19.534 161 HA ASP 21 HA ASP 21 14.828 28.856 17.138 162 1HB ASP 21 HB2 ASP 21 17.629 29.839 17.858 163 2HB ASP 21 HB1 ASP 21 16.992 30.077 16.242 164 H GLU 22 HN GLU 22 18.092 27.519 17.533 165 HA GLU 22 HA GLU 22 18.197 26.211 15.058 166 1HB GLU 22 HB2 GLU 22 19.435 25.346 17.755 167 2HB GLU 22 HB1 GLU 22 19.960 24.703 16.217 168 1HG GLU 22 HG2 GLU 22 20.713 27.043 15.543 169 2HG GLU 22 HG1 GLU 22 20.277 27.594 17.151 170 H GLU 23 HN GLU 23 16.742 24.802 18.080 171 HA GLU 23 HA GLU 23 16.387 22.233 16.838 172 1HB GLU 23 HB2 GLU 23 15.258 23.702 19.258 173 2HB GLU 23 HB1 GLU 23 14.554 22.170 18.777 174 1HG GLU 23 HG2 GLU 23 17.576 22.436 19.254 175 2HG GLU 23 HG1 GLU 23 16.490 22.006 20.553 176 H MET 24 HN MET 24 14.317 25.038 17.306 177 HA MET 24 HA MET 24 12.077 23.916 15.796 178 1HB MET 24 HB2 MET 24 12.859 26.769 16.535 179 2HB MET 24 HB1 MET 24 11.484 26.521 15.450 180 1HG MET 24 HG2 MET 24 11.859 25.358 18.217 181 2HG MET 24 HG1 MET 24 10.617 26.474 17.728 182 1HE MET 24 HE1 MET 24 7.980 24.321 16.047 183 2HE MET 24 HE2 MET 24 8.966 25.691 15.570 184 3HE MET 24 HE3 MET 24 8.193 25.653 17.172 185 H LEU 25 HN LEU 25 14.840 25.891 14.619 186 HA LEU 25 HA LEU 25 14.101 25.973 11.921 187 1HB LEU 25 HB2 LEU 25 16.562 26.221 13.638 188 2HB LEU 25 HB1 LEU 25 16.867 25.993 11.948 189 HG LEU 25 HG LEU 25 14.918 28.103 13.000 190 1HD1 LEU 25 HD11 LEU 25 17.881 28.368 12.249 191 2HD1 LEU 25 HD12 LEU 25 17.255 28.476 13.884 192 3HD1 LEU 25 HD13 LEU 25 16.813 29.682 12.686 193 1HD2 LEU 25 HD21 LEU 25 15.278 29.040 10.766 194 2HD2 LEU 25 HD22 LEU 25 14.825 27.345 10.581 195 3HD2 LEU 25 HD23 LEU 25 16.498 27.830 10.404 196 H PHE 26 HN PHE 26 15.902 23.575 13.778 197 HA PHE 26 HA PHE 26 16.603 21.821 11.611 198 1HB PHE 26 HB2 PHE 26 17.517 21.719 13.976 199 2HB PHE 26 HB1 PHE 26 15.977 21.146 14.561 200 HD1 PHE 26 HD1 PHE 26 15.036 18.954 13.328 201 HD2 PHE 26 HD2 PHE 26 19.116 20.149 13.373 202 HE1 PHE 26 HE1 PHE 26 15.712 16.649 12.814 203 HE2 PHE 26 HE2 PHE 26 19.798 17.852 12.863 204 HZ PHE 26 HZ PHE 26 18.097 16.094 12.590 205 H ILE 27 HN ILE 27 13.979 21.742 13.970 206 HA ILE 27 HA ILE 27 12.368 19.744 12.770 207 HB ILE 27 HB ILE 27 11.763 22.267 14.364 208 1HG1 ILE 27 HG12 ILE 27 13.040 20.583 15.596 209 2HG1 ILE 27 HG11 ILE 27 11.434 20.698 16.274 210 1HG2 ILE 27 HG21 ILE 27 9.492 21.452 14.868 211 2HG2 ILE 27 HG22 ILE 27 9.728 20.051 13.870 212 3HG2 ILE 27 HG23 ILE 27 9.624 21.636 13.134 213 1HD1 ILE 27 HD1 ILE 27 12.185 18.322 16.028 214 2HD1 ILE 27 HD2 ILE 27 12.399 18.519 14.304 215 3HD1 ILE 27 HD3 ILE 27 10.784 18.597 15.009 216 H TYR 28 HN TYR 28 11.196 22.975 12.566 217 HA TYR 28 HA TYR 28 9.760 23.079 10.276 218 1HB TYR 28 HB2 TYR 28 10.509 25.185 11.325 219 2HB TYR 28 HB1 TYR 28 12.087 25.016 10.578 220 HD1 TYR 28 HD1 TYR 28 12.155 24.962 7.896 221 HD2 TYR 28 HD2 TYR 28 8.740 26.212 10.155 222 HE1 TYR 28 HE1 TYR 28 11.254 26.057 5.933 223 HE2 TYR 28 HE2 TYR 28 7.866 27.331 8.147 224 HH TYR 28 HH TYR 28 9.530 28.178 5.719 225 H SER 29 HN SER 29 13.417 23.229 9.687 226 HA SER 29 HA SER 29 13.182 22.998 6.920 227 1HB SER 29 HB2 SER 29 15.640 22.437 7.233 228 2HB SER 29 HB1 SER 29 15.172 23.760 8.286 229 HG SER 29 HG1 SER 29 14.975 22.332 9.979 230 H HIS 30 HN HIS 30 13.978 20.475 9.252 231 HA HIS 30 HA HIS 30 13.768 18.375 7.306 232 1HB HIS 30 HB2 HIS 30 14.057 18.560 10.308 233 2HB HIS 30 HB1 HIS 30 13.503 17.015 9.677 234 HD1 HIS 30 HD1 HIS 30 14.987 16.437 7.391 235 HD2 HIS 30 HD2 HIS 30 16.797 18.641 10.302 236 HE1 HIS 30 HE1 HIS 30 17.450 16.192 7.026 237 H TYR 31 HN TYR 31 11.287 19.778 9.331 238 HA TYR 31 HA TYR 31 9.369 17.629 8.800 239 1HB TYR 31 HB2 TYR 31 8.885 19.317 10.632 240 2HB TYR 31 HB1 TYR 31 8.768 20.586 9.452 241 HD1 TYR 31 HD1 TYR 31 6.770 20.720 8.003 242 HD2 TYR 31 HD2 TYR 31 7.160 17.501 10.762 243 HE1 TYR 31 HE1 TYR 31 4.411 20.101 7.645 244 HE2 TYR 31 HE2 TYR 31 4.793 16.904 10.377 245 HH TYR 31 HH TYR 31 3.077 17.357 8.269 246 H LYS 32 HN LYS 32 10.167 20.733 7.327 247 HA LYS 32 HA LYS 32 8.217 20.451 5.153 248 1HB LYS 32 HB2 LYS 32 10.884 22.011 5.142 249 2HB LYS 32 HB1 LYS 32 9.599 22.149 3.971 250 1HG LYS 32 HG2 LYS 32 9.313 22.963 6.875 251 2HG LYS 32 HG1 LYS 32 9.508 24.004 5.498 252 1HD LYS 32 HD2 LYS 32 7.273 22.162 5.009 253 2HD LYS 32 HD1 LYS 32 7.032 22.984 6.528 254 1HE LYS 32 HE2 LYS 32 7.799 24.359 4.001 255 2HE LYS 32 HE1 LYS 32 6.111 24.105 4.439 256 1HZ LYS 32 HZ1 LYS 32 7.869 26.133 5.454 257 2HZ LYS 32 HZ2 LYS 32 7.549 25.036 6.661 258 3HZ LYS 32 HZ3 LYS 32 6.245 25.841 5.901 259 H GLN 33 HN GLN 33 11.750 19.731 5.112 260 HA GLN 33 HA GLN 33 11.655 18.364 2.591 261 1HB GLN 33 HB2 GLN 33 13.804 18.896 3.539 262 2HB GLN 33 HB1 GLN 33 13.508 17.952 4.981 263 1HG GLN 33 HG2 GLN 33 14.987 16.716 3.382 264 2HG GLN 33 HG1 GLN 33 13.497 15.852 3.508 265 1HE2 GLN 33 HE21 GLN 33 15.116 18.281 1.375 266 2HE2 GLN 33 HE22 GLN 33 14.264 17.727 0.002 267 H ALA 34 HN ALA 34 11.190 16.954 5.792 268 HA ALA 34 HA ALA 34 10.947 14.237 5.018 269 1HB ALA 34 HB1 ALA 34 11.157 15.034 7.384 270 2HB ALA 34 HB2 ALA 34 9.762 13.991 7.200 271 3HB ALA 34 HB3 ALA 34 9.558 15.733 7.275 272 H THR 35 HN THR 35 8.483 16.803 5.166 273 HA THR 35 HA THR 35 6.537 14.955 3.855 274 HB THR 35 HB THR 35 4.704 16.264 4.793 275 HG1 THR 35 HG1 THR 35 6.764 17.850 5.954 276 1HG2 THR 35 HG21 THR 35 6.938 16.144 6.860 277 2HG2 THR 35 HG22 THR 35 5.979 14.738 6.418 278 3HG2 THR 35 HG23 THR 35 5.196 16.146 7.123 279 H VAL 36 HN VAL 36 7.334 18.268 3.659 280 HA VAL 36 HA VAL 36 5.550 18.703 1.327 281 HB VAL 36 HB VAL 36 7.714 20.574 2.497 282 1HG1 VAL 36 HG11 VAL 36 6.410 22.347 1.374 283 2HG1 VAL 36 HG12 VAL 36 5.180 21.179 0.907 284 3HG1 VAL 36 HG13 VAL 36 6.772 21.085 0.217 285 1HG2 VAL 36 HG21 VAL 36 5.789 21.630 3.719 286 2HG2 VAL 36 HG22 VAL 36 5.988 19.950 4.213 287 3HG2 VAL 36 HG23 VAL 36 4.704 20.403 3.105 288 H GLY 37 HN GLY 37 8.840 18.182 2.046 289 1HA GLY 37 HA2 GLY 37 10.382 16.913 0.680 290 2HA GLY 37 HA1 GLY 37 9.500 17.430 -0.763 291 H ASP 38 HN ASP 38 11.341 18.059 -1.771 292 HA ASP 38 HA ASP 38 13.415 19.620 -0.973 293 1HB ASP 38 HB2 ASP 38 11.984 20.003 -3.629 294 2HB ASP 38 HB1 ASP 38 13.729 19.912 -3.281 295 H ILE 39 HN ILE 39 13.715 22.136 -1.302 296 HA ILE 39 HA ILE 39 11.468 23.417 -0.036 297 HB ILE 39 HB ILE 39 13.831 24.026 0.121 298 1HG1 ILE 39 HG12 ILE 39 12.167 26.401 -0.628 299 2HG1 ILE 39 HG11 ILE 39 11.537 25.360 0.568 300 1HG2 ILE 39 HG21 ILE 39 13.371 25.297 -2.607 301 2HG2 ILE 39 HG22 ILE 39 14.483 23.987 -2.242 302 3HG2 ILE 39 HG23 ILE 39 14.766 25.586 -1.577 303 1HD1 ILE 39 HD1 ILE 39 13.703 25.464 1.820 304 2HD1 ILE 39 HD2 ILE 39 12.893 26.988 1.717 305 3HD1 ILE 39 HD3 ILE 39 14.296 26.665 0.703 306 H ASN 40 HN ASN 40 9.886 24.040 -0.710 307 HA ASN 40 HA ASN 40 9.177 24.949 -3.444 308 1HB ASN 40 HB2 ASN 40 7.187 23.179 -3.439 309 2HB ASN 40 HB1 ASN 40 8.803 22.609 -3.853 310 1HD2 ASN 40 HD21 ASN 40 8.025 20.408 -3.075 311 2HD2 ASN 40 HD22 ASN 40 7.990 20.156 -1.400 312 H THR 41 HN THR 41 9.347 26.510 -1.675 313 HA THR 41 HA THR 41 6.633 27.230 -0.571 314 HB THR 41 HB THR 41 8.599 28.821 0.865 315 HG1 THR 41 HG1 THR 41 9.318 26.174 0.345 316 1HG2 THR 41 HG21 THR 41 7.888 27.509 2.809 317 2HG2 THR 41 HG22 THR 41 7.232 26.243 1.763 318 3HG2 THR 41 HG23 THR 41 6.482 27.833 1.808 319 H GLU 42 HN GLU 42 9.801 28.693 -1.271 320 HA GLU 42 HA GLU 42 10.168 30.015 -3.181 321 1HB GLU 42 HB2 GLU 42 7.622 31.383 -2.151 322 2HB GLU 42 HB1 GLU 42 8.871 32.355 -2.872 323 1HG GLU 42 HG2 GLU 42 7.698 29.958 -4.355 324 2HG GLU 42 HG1 GLU 42 7.129 31.599 -4.587 325 H ARG 43 HN ARG 43 11.979 30.976 -2.600 326 HA ARG 43 HA ARG 43 12.720 31.481 0.070 327 1HB ARG 43 HB2 ARG 43 14.228 31.134 -1.836 328 2HB ARG 43 HB1 ARG 43 13.804 32.715 -2.475 329 1HG ARG 43 HG2 ARG 43 14.697 33.748 -0.376 330 2HG ARG 43 HG1 ARG 43 15.069 32.135 0.227 331 1HD ARG 43 HD2 ARG 43 16.608 31.738 -1.621 332 2HD ARG 43 HD1 ARG 43 16.167 33.299 -2.352 333 HE ARG 43 HE ARG 43 17.008 34.366 -0.209 334 1HH1 ARG 43 HH11 ARG 43 19.122 33.450 -1.762 335 2HH1 ARG 43 HH12 ARG 43 20.142 32.528 -0.685 336 1HH2 ARG 43 HH21 ARG 43 17.519 32.398 1.594 337 2HH2 ARG 43 HH22 ARG 43 19.155 31.976 1.428 338 HA PRO 44 HA PRO 44 10.288 35.087 0.983 339 1HB PRO 44 HB2 PRO 44 12.364 36.418 2.436 340 2HB PRO 44 HB1 PRO 44 10.995 35.536 3.094 341 1HG PRO 44 HG2 PRO 44 13.791 34.568 2.610 342 2HG PRO 44 HG1 PRO 44 12.598 34.063 3.822 343 1HD PRO 44 HD2 PRO 44 13.217 32.527 1.682 344 2HD PRO 44 HD1 PRO 44 11.539 32.493 2.227 345 H GLY 45 HN GLY 45 13.546 36.047 0.133 346 1HA GLY 45 HA2 GLY 45 14.165 37.444 -1.709 347 2HA GLY 45 HA1 GLY 45 12.437 37.732 -2.050 348 H MET 46 HN MET 46 13.718 40.116 -1.928 349 HA MET 46 HA MET 46 14.627 41.564 0.063 350 1HB MET 46 HB2 MET 46 13.453 42.522 -1.924 351 2HB MET 46 HB1 MET 46 11.907 42.221 -1.164 352 1HG MET 46 HG2 MET 46 12.350 43.819 0.576 353 2HG MET 46 HG1 MET 46 14.045 43.909 0.186 354 1HE MET 46 HE1 MET 46 14.989 46.110 -1.386 355 2HE MET 46 HE2 MET 46 14.289 45.792 -2.983 356 3HE MET 46 HE3 MET 46 14.850 44.460 -2.010 357 H LEU 47 HN LEU 47 11.259 40.502 0.417 358 HA LEU 47 HA LEU 47 10.437 41.469 2.825 359 1HB LEU 47 HB2 LEU 47 10.111 38.749 1.511 360 2HB LEU 47 HB1 LEU 47 9.376 39.049 3.059 361 HG LEU 47 HG LEU 47 7.902 39.302 1.013 362 1HD1 LEU 47 HD11 LEU 47 8.155 41.648 2.976 363 2HD1 LEU 47 HD12 LEU 47 7.277 40.151 3.268 364 3HD1 LEU 47 HD13 LEU 47 6.725 41.270 2.034 365 1HD2 LEU 47 HD21 LEU 47 9.438 41.926 0.740 366 2HD2 LEU 47 HD22 LEU 47 7.997 41.485 -0.151 367 3HD2 LEU 47 HD23 LEU 47 9.478 40.576 -0.394 368 H ASP 48 HN ASP 48 12.480 38.745 2.380 369 HA ASP 48 HA ASP 48 13.139 37.143 4.137 370 1HB ASP 48 HB2 ASP 48 14.997 39.502 3.712 371 2HB ASP 48 HB1 ASP 48 15.518 37.961 4.348 372 H PHE 49 HN PHE 49 12.015 36.978 6.309 373 HA PHE 49 HA PHE 49 13.132 38.718 8.291 374 1HB PHE 49 HB2 PHE 49 10.707 38.973 9.195 375 2HB PHE 49 HB1 PHE 49 11.049 39.863 7.750 376 HD1 PHE 49 HD1 PHE 49 10.374 38.629 5.475 377 HD2 PHE 49 HD2 PHE 49 8.631 37.814 9.267 378 HE1 PHE 49 HE1 PHE 49 8.341 37.800 4.369 379 HE2 PHE 49 HE2 PHE 49 6.598 36.984 8.146 380 HZ PHE 49 HZ PHE 49 6.461 36.996 5.674 381 H LYS 50 HN LYS 50 11.630 37.315 10.307 382 HA LYS 50 HA LYS 50 12.969 35.053 10.934 383 1HB LYS 50 HB2 LYS 50 9.932 35.275 11.205 384 2HB LYS 50 HB1 LYS 50 10.964 34.259 12.178 385 1HG LYS 50 HG2 LYS 50 11.063 37.319 12.121 386 2HG LYS 50 HG1 LYS 50 10.355 36.343 13.376 387 1HD LYS 50 HD2 LYS 50 12.570 35.367 13.968 388 2HD LYS 50 HD1 LYS 50 13.327 36.163 12.611 389 1HE LYS 50 HE2 LYS 50 13.856 37.431 14.556 390 2HE LYS 50 HE1 LYS 50 12.747 38.371 13.570 391 1HZ LYS 50 HZ1 LYS 50 12.388 37.522 16.232 392 2HZ LYS 50 HZ2 LYS 50 11.255 36.698 15.305 393 3HZ LYS 50 HZ3 LYS 50 11.279 38.405 15.319 394 H GLY 51 HN GLY 51 11.025 35.012 8.183 395 1HA GLY 51 HA2 GLY 51 10.672 32.090 7.986 396 2HA GLY 51 HA1 GLY 51 10.176 33.276 6.772 397 H LYS 52 HN LYS 52 12.892 34.545 6.652 398 HA LYS 52 HA LYS 52 13.987 32.875 4.588 399 1HB LYS 52 HB2 LYS 52 14.422 35.323 4.830 400 2HB LYS 52 HB1 LYS 52 15.360 35.013 6.274 401 1HG LYS 52 HG2 LYS 52 16.933 33.547 4.853 402 2HG LYS 52 HG1 LYS 52 15.903 33.816 3.479 403 1HD LYS 52 HD2 LYS 52 17.929 35.308 3.443 404 2HD LYS 52 HD1 LYS 52 16.414 36.143 3.335 405 1HE LYS 52 HE2 LYS 52 17.914 37.317 4.886 406 2HE LYS 52 HE1 LYS 52 16.529 36.723 5.774 407 1HZ LYS 52 HZ1 LYS 52 17.835 35.321 6.963 408 2HZ LYS 52 HZ2 LYS 52 19.201 36.120 6.327 409 3HZ LYS 52 HZ3 LYS 52 18.582 34.739 5.567 410 H ALA 53 HN ALA 53 14.868 33.070 8.069 411 HA ALA 53 HA ALA 53 17.081 31.237 7.896 412 1HB ALA 53 HB1 ALA 53 16.451 32.554 9.954 413 2HB ALA 53 HB2 ALA 53 16.577 30.860 10.356 414 3HB ALA 53 HB3 ALA 53 14.999 31.592 10.147 415 H LYS 54 HN LYS 54 13.717 30.584 8.753 416 HA LYS 54 HA LYS 54 13.661 27.821 8.576 417 1HB LYS 54 HB2 LYS 54 11.547 29.731 7.477 418 2HB LYS 54 HB1 LYS 54 11.234 28.107 8.008 419 1HG LYS 54 HG2 LYS 54 12.145 30.353 9.817 420 2HG LYS 54 HG1 LYS 54 10.532 29.716 9.692 421 1HD LYS 54 HD2 LYS 54 11.679 27.382 10.276 422 2HD LYS 54 HD1 LYS 54 13.014 28.391 10.809 423 1HE LYS 54 HE2 LYS 54 11.523 29.656 12.277 424 2HE LYS 54 HE1 LYS 54 10.165 28.645 11.793 425 1HZ LYS 54 HZ1 LYS 54 12.046 28.097 13.794 426 2HZ LYS 54 HZ2 LYS 54 12.362 26.982 12.567 427 3HZ LYS 54 HZ3 LYS 54 10.822 27.077 13.259 428 H TRP 55 HN TRP 55 13.220 29.984 5.679 429 HA TRP 55 HA TRP 55 12.854 27.958 3.847 430 1HB TRP 55 HB2 TRP 55 12.452 30.523 3.572 431 2HB TRP 55 HB1 TRP 55 14.157 30.670 3.288 432 HD1 TRP 55 HD1 TRP 55 10.964 29.124 1.545 433 HE1 TRP 55 HE1 TRP 55 11.749 28.479 -0.761 434 HE3 TRP 55 HE3 TRP 55 15.902 30.044 1.913 435 HZ2 TRP 55 HZ2 TRP 55 14.058 28.389 -2.357 436 HZ3 TRP 55 HZ3 TRP 55 17.418 29.640 0.017 437 HH2 TRP 55 HH2 TRP 55 16.507 28.821 -2.138 438 H ASP 56 HN ASP 56 15.634 29.908 4.446 439 HA ASP 56 HA ASP 56 17.471 28.534 2.813 440 1HB ASP 56 HB2 ASP 56 17.762 30.106 5.398 441 2HB ASP 56 HB1 ASP 56 19.160 29.472 4.570 442 H ALA 57 HN ALA 57 16.784 27.944 6.251 443 HA ALA 57 HA ALA 57 18.459 25.811 6.771 444 1HB ALA 57 HB1 ALA 57 17.171 27.139 8.415 445 2HB ALA 57 HB2 ALA 57 16.846 25.416 8.645 446 3HB ALA 57 HB3 ALA 57 15.669 26.436 7.813 447 H TRP 58 HN TRP 58 15.402 25.945 5.152 448 HA TRP 58 HA TRP 58 15.164 22.965 5.003 449 1HB TRP 58 HB2 TRP 58 13.191 24.367 5.279 450 2HB TRP 58 HB1 TRP 58 13.568 25.264 3.843 451 HD1 TRP 58 HD1 TRP 58 14.141 21.439 3.321 452 HE1 TRP 58 HE1 TRP 58 12.077 20.758 1.910 453 HE3 TRP 58 HE3 TRP 58 11.260 25.524 3.664 454 HZ2 TRP 58 HZ2 TRP 58 9.614 21.666 1.022 455 HZ3 TRP 58 HZ3 TRP 58 9.071 25.628 2.608 456 HH2 TRP 58 HH2 TRP 58 8.228 23.744 1.243 457 H ASN 59 HN ASN 59 15.870 25.670 2.733 458 HA ASN 59 HA ASN 59 16.252 24.301 0.339 459 1HB ASN 59 HB2 ASN 59 16.350 26.680 0.228 460 2HB ASN 59 HB1 ASN 59 17.331 26.806 1.654 461 1HD2 ASN 59 HD21 ASN 59 19.271 27.471 1.289 462 2HD2 ASN 59 HD22 ASN 59 20.211 27.143 -0.121 463 H GLU 60 HN GLU 60 18.409 24.866 3.000 464 HA GLU 60 HA GLU 60 20.807 23.705 2.232 465 1HB GLU 60 HB2 GLU 60 20.435 24.890 4.430 466 2HB GLU 60 HB1 GLU 60 19.437 23.555 4.970 467 1HG GLU 60 HG2 GLU 60 21.356 22.004 4.884 468 2HG GLU 60 HG1 GLU 60 22.372 23.230 4.167 469 H LEU 61 HN LEU 61 17.836 22.228 3.124 470 HA LEU 61 HA LEU 61 18.762 19.430 2.905 471 1HB LEU 61 HB2 LEU 61 15.986 20.351 3.663 472 2HB LEU 61 HB1 LEU 61 16.704 18.766 3.876 473 HG LEU 61 HG LEU 61 17.639 21.263 5.361 474 1HD1 LEU 61 HD11 LEU 61 15.311 20.476 5.884 475 2HD1 LEU 61 HD12 LEU 61 16.417 20.199 7.233 476 3HD1 LEU 61 HD13 LEU 61 15.947 18.864 6.179 477 1HD2 LEU 61 HD21 LEU 61 18.831 19.609 6.733 478 2HD2 LEU 61 HD22 LEU 61 19.374 19.464 5.077 479 3HD2 LEU 61 HD23 LEU 61 18.257 18.278 5.744 480 H LYS 62 HN LYS 62 17.285 21.761 0.864 481 HA LYS 62 HA LYS 62 15.305 20.798 -0.442 482 1HB LYS 62 HB2 LYS 62 16.682 22.783 -1.063 483 2HB LYS 62 HB1 LYS 62 17.887 21.738 -1.740 484 1HG LYS 62 HG2 LYS 62 16.162 20.927 -3.430 485 2HG LYS 62 HG1 LYS 62 15.000 21.997 -2.727 486 1HD LYS 62 HD2 LYS 62 15.950 23.154 -4.642 487 2HD LYS 62 HD1 LYS 62 16.496 23.963 -3.197 488 1HE LYS 62 HE2 LYS 62 18.299 23.702 -4.848 489 2HE LYS 62 HE1 LYS 62 18.699 22.918 -3.332 490 1HZ LYS 62 HZ1 LYS 62 18.498 21.740 -5.901 491 2HZ LYS 62 HZ2 LYS 62 17.279 21.062 -4.958 492 3HZ LYS 62 HZ3 LYS 62 18.886 20.962 -4.449 493 H GLY 63 HN GLY 63 18.177 18.766 -0.979 494 1HA GLY 63 HA2 GLY 63 16.391 17.154 -2.690 495 2HA GLY 63 HA1 GLY 63 18.110 17.356 -2.994 496 H THR 64 HN THR 64 17.551 17.346 0.148 497 HA THR 64 HA THR 64 19.009 15.183 1.077 498 HB THR 64 HB THR 64 16.628 16.633 2.323 499 HG1 THR 64 HG1 THR 64 19.132 17.134 3.170 500 1HG2 THR 64 HG21 THR 64 17.655 16.182 4.544 501 2HG2 THR 64 HG22 THR 64 18.914 15.190 3.832 502 3HG2 THR 64 HG23 THR 64 17.244 14.635 3.881 503 H SER 65 HN SER 65 17.972 13.418 2.690 504 HA SER 65 HA SER 65 16.313 11.721 0.940 505 1HB SER 65 HB2 SER 65 17.274 10.423 3.348 506 2HB SER 65 HB1 SER 65 17.787 10.082 1.708 507 HG SER 65 HG1 SER 65 19.275 11.128 3.550 508 H LYS 66 HN LYS 66 14.218 12.152 1.363 509 HA LYS 66 HA LYS 66 13.082 13.609 3.441 510 1HB LYS 66 HB2 LYS 66 12.085 11.394 1.562 511 2HB LYS 66 HB1 LYS 66 10.971 12.323 2.570 512 1HG LYS 66 HG2 LYS 66 11.494 14.360 1.554 513 2HG LYS 66 HG1 LYS 66 13.099 13.885 1.095 514 1HD LYS 66 HD2 LYS 66 12.129 12.541 -0.808 515 2HD LYS 66 HD1 LYS 66 10.550 13.223 -0.398 516 1HE LYS 66 HE2 LYS 66 11.403 15.520 -0.616 517 2HE LYS 66 HE1 LYS 66 13.040 14.957 -0.801 518 1HZ LYS 66 HZ1 LYS 66 12.752 14.965 -2.959 519 2HZ LYS 66 HZ2 LYS 66 11.243 15.478 -2.827 520 3HZ LYS 66 HZ3 LYS 66 11.495 13.787 -2.904 521 H GLU 67 HN GLU 67 13.857 10.161 3.352 522 HA GLU 67 HA GLU 67 12.636 9.336 5.707 523 1HB GLU 67 HB2 GLU 67 14.965 8.430 3.950 524 2HB GLU 67 HB1 GLU 67 14.485 7.491 5.317 525 1HG GLU 67 HG2 GLU 67 12.144 7.266 4.370 526 2HG GLU 67 HG1 GLU 67 12.607 8.255 2.999 527 H ASP 68 HN ASP 68 16.083 10.520 5.201 528 HA ASP 68 HA ASP 68 16.988 10.198 7.794 529 1HB ASP 68 HB2 ASP 68 17.553 12.250 5.612 530 2HB ASP 68 HB1 ASP 68 18.547 12.028 7.011 531 H ALA 69 HN ALA 69 15.430 12.723 6.167 532 HA ALA 69 HA ALA 69 15.242 14.648 8.310 533 1HB ALA 69 HB1 ALA 69 14.636 15.150 5.880 534 2HB ALA 69 HB2 ALA 69 13.306 15.638 6.942 535 3HB ALA 69 HB3 ALA 69 13.231 14.144 6.037 536 H MET 70 HN MET 70 12.696 12.285 7.230 537 HA MET 70 HA MET 70 10.984 12.604 9.320 538 1HB MET 70 HB2 MET 70 11.870 10.308 7.580 539 2HB MET 70 HB1 MET 70 10.776 9.982 8.854 540 1HG MET 70 HG2 MET 70 9.435 12.019 7.764 541 2HG MET 70 HG1 MET 70 10.516 11.806 6.420 542 1HE MET 70 HE1 MET 70 7.888 11.731 5.001 543 2HE MET 70 HE2 MET 70 7.524 12.073 6.699 544 3HE MET 70 HE3 MET 70 6.664 10.804 5.871 545 H LYS 71 HN LYS 71 13.523 10.259 9.226 546 HA LYS 71 HA LYS 71 13.413 9.135 11.777 547 1HB LYS 71 HB2 LYS 71 15.892 9.624 10.077 548 2HB LYS 71 HB1 LYS 71 15.881 8.578 11.469 549 1HG LYS 71 HG2 LYS 71 14.179 8.163 8.993 550 2HG LYS 71 HG1 LYS 71 15.716 7.377 9.290 551 1HD LYS 71 HD2 LYS 71 14.417 6.780 11.660 552 2HD LYS 71 HD1 LYS 71 13.028 6.913 10.605 553 1HE LYS 71 HE2 LYS 71 15.418 5.090 10.177 554 2HE LYS 71 HE1 LYS 71 13.843 4.563 10.747 555 1HZ LYS 71 HZ1 LYS 71 14.656 4.873 8.057 556 2HZ LYS 71 HZ2 LYS 71 13.580 6.130 8.404 557 3HZ LYS 71 HZ3 LYS 71 13.098 4.515 8.574 558 H ALA 72 HN ALA 72 15.861 11.595 10.814 559 HA ALA 72 HA ALA 72 16.910 12.174 13.245 560 1HB ALA 72 HB1 ALA 72 17.736 12.782 10.988 561 2HB ALA 72 HB2 ALA 72 17.612 14.233 11.953 562 3HB ALA 72 HB3 ALA 72 16.383 13.868 10.749 563 H TYR 73 HN TYR 73 14.119 13.649 11.629 564 HA TYR 73 HA TYR 73 13.517 15.635 13.550 565 1HB TYR 73 HB2 TYR 73 12.710 15.489 11.186 566 2HB TYR 73 HB1 TYR 73 11.837 14.041 11.554 567 HD1 TYR 73 HD1 TYR 73 11.876 17.635 11.738 568 HD2 TYR 73 HD2 TYR 73 9.731 14.162 12.935 569 HE1 TYR 73 HE1 TYR 73 9.951 18.997 12.179 570 HE2 TYR 73 HE2 TYR 73 7.762 15.559 13.399 571 HH TYR 73 HH TYR 73 7.864 19.040 13.102 572 H ILE 74 HN ILE 74 12.061 12.468 13.041 573 HA ILE 74 HA ILE 74 10.335 12.301 15.228 574 HB ILE 74 HB ILE 74 12.122 10.104 14.074 575 1HG1 ILE 74 HG12 ILE 74 9.163 10.478 13.611 576 2HG1 ILE 74 HG11 ILE 74 10.252 11.453 12.672 577 1HG2 ILE 74 HG21 ILE 74 11.186 9.476 16.355 578 2HG2 ILE 74 HG22 ILE 74 10.478 8.526 15.078 579 3HG2 ILE 74 HG23 ILE 74 9.570 9.858 15.764 580 1HD1 ILE 74 HD1 ILE 74 10.268 8.405 12.818 581 2HD1 ILE 74 HD2 ILE 74 11.383 9.369 11.869 582 3HD1 ILE 74 HD3 ILE 74 9.679 9.358 11.465 583 H ASP 75 HN ASP 75 13.679 11.237 15.248 584 HA ASP 75 HA ASP 75 13.856 10.676 18.017 585 1HB ASP 75 HB2 ASP 75 15.741 11.475 15.765 586 2HB ASP 75 HB1 ASP 75 16.347 11.122 17.355 587 H LYS 76 HN LYS 76 14.779 13.480 16.177 588 HA LYS 76 HA LYS 76 15.519 15.287 18.133 589 1HB LYS 76 HB2 LYS 76 15.077 15.595 15.461 590 2HB LYS 76 HB1 LYS 76 13.604 16.348 15.990 591 1HG LYS 76 HG2 LYS 76 15.219 18.107 15.857 592 2HG LYS 76 HG1 LYS 76 15.110 17.764 17.568 593 1HD LYS 76 HD2 LYS 76 17.023 15.902 16.866 594 2HD LYS 76 HD1 LYS 76 17.241 17.039 15.555 595 1HE LYS 76 HE2 LYS 76 17.708 18.848 17.077 596 2HE LYS 76 HE1 LYS 76 17.266 17.835 18.457 597 1HZ LYS 76 HZ1 LYS 76 19.099 16.387 16.946 598 2HZ LYS 76 HZ2 LYS 76 19.303 17.075 18.497 599 3HZ LYS 76 HZ3 LYS 76 19.736 17.978 17.115 600 H VAL 77 HN VAL 77 12.201 14.748 17.144 601 HA VAL 77 HA VAL 77 11.172 16.532 19.218 602 HB VAL 77 HB VAL 77 9.597 14.399 17.714 603 1HG1 VAL 77 HG11 VAL 77 8.919 17.091 19.106 604 2HG1 VAL 77 HG12 VAL 77 8.575 15.518 19.801 605 3HG1 VAL 77 HG13 VAL 77 7.762 16.032 18.354 606 1HG2 VAL 77 HG21 VAL 77 10.790 15.934 16.076 607 2HG2 VAL 77 HG22 VAL 77 10.137 17.319 16.944 608 3HG2 VAL 77 HG23 VAL 77 9.061 16.230 16.098 609 H GLU 78 HN GLU 78 11.208 12.980 18.891 610 HA GLU 78 HA GLU 78 9.973 12.304 21.333 611 1HB GLU 78 HB2 GLU 78 10.812 10.821 19.427 612 2HB GLU 78 HB1 GLU 78 12.432 11.028 20.042 613 1HG GLU 78 HG2 GLU 78 10.261 9.929 21.889 614 2HG GLU 78 HG1 GLU 78 11.086 8.853 20.776 615 H GLU 79 HN GLU 79 13.373 13.258 20.722 616 HA GLU 79 HA GLU 79 14.245 13.140 23.437 617 1HB GLU 79 HB2 GLU 79 15.213 14.025 20.724 618 2HB GLU 79 HB1 GLU 79 16.105 14.599 22.116 619 1HG GLU 79 HG2 GLU 79 15.440 11.636 21.708 620 2HG GLU 79 HG1 GLU 79 16.949 12.339 21.159 621 H LEU 80 HN LEU 80 13.298 15.923 21.246 622 HA LEU 80 HA LEU 80 13.604 17.850 23.317 623 1HB LEU 80 HB2 LEU 80 11.688 17.730 20.972 624 2HB LEU 80 HB1 LEU 80 11.737 19.128 22.030 625 HG LEU 80 HG LEU 80 14.072 18.133 20.348 626 1HD1 LEU 80 HD11 LEU 80 12.138 19.205 19.137 627 2HD1 LEU 80 HD12 LEU 80 13.558 20.218 19.132 628 3HD1 LEU 80 HD13 LEU 80 12.230 20.566 20.234 629 1HD2 LEU 80 HD21 LEU 80 13.789 20.626 22.092 630 2HD2 LEU 80 HD22 LEU 80 15.147 20.198 21.091 631 3HD2 LEU 80 HD23 LEU 80 14.811 19.237 22.499 632 H LYS 81 HN LYS 81 11.180 15.551 22.795 633 HA LYS 81 HA LYS 81 9.209 16.818 24.562 634 1HB LYS 81 HB2 LYS 81 8.551 15.178 22.861 635 2HB LYS 81 HB1 LYS 81 9.441 13.886 23.657 636 1HG LYS 81 HG2 LYS 81 8.033 14.189 25.707 637 2HG LYS 81 HG1 LYS 81 7.194 15.533 24.963 638 1HD LYS 81 HD2 LYS 81 6.517 13.869 23.113 639 2HD LYS 81 HD1 LYS 81 7.101 12.593 24.182 640 1HE LYS 81 HE2 LYS 81 5.496 13.494 25.965 641 2HE LYS 81 HE1 LYS 81 4.919 14.640 24.750 642 1HZ LYS 81 HZ1 LYS 81 4.959 12.163 23.518 643 2HZ LYS 81 HZ2 LYS 81 3.691 13.082 23.755 644 3HZ LYS 81 HZ3 LYS 81 4.063 11.919 24.968 645 H LYS 82 HN LYS 82 11.656 14.412 24.770 646 HA LYS 82 HA LYS 82 11.181 13.872 27.637 647 1HB LYS 82 HB2 LYS 82 13.441 13.333 25.677 648 2HB LYS 82 HB1 LYS 82 13.590 12.876 27.373 649 1HG LYS 82 HG2 LYS 82 11.832 11.314 27.258 650 2HG LYS 82 HG1 LYS 82 11.008 12.148 25.957 651 1HD LYS 82 HD2 LYS 82 11.960 10.024 25.168 652 2HD LYS 82 HD1 LYS 82 12.655 11.416 24.367 653 1HE LYS 82 HE2 LYS 82 14.642 11.321 25.661 654 2HE LYS 82 HE1 LYS 82 13.993 10.032 26.677 655 1HZ LYS 82 HZ1 LYS 82 13.724 9.335 23.928 656 2HZ LYS 82 HZ2 LYS 82 14.674 8.542 25.092 657 3HZ LYS 82 HZ3 LYS 82 15.282 9.874 24.202 658 H LYS 83 HN LYS 83 13.284 16.114 25.874 659 HA LYS 83 HA LYS 83 14.653 17.219 28.110 660 1HB LYS 83 HB2 LYS 83 15.178 17.188 25.539 661 2HB LYS 83 HB1 LYS 83 14.121 18.537 25.445 662 1HG LYS 83 HG2 LYS 83 16.246 19.572 25.605 663 2HG LYS 83 HG1 LYS 83 15.480 19.789 27.164 664 1HD LYS 83 HD2 LYS 83 17.829 19.152 27.455 665 2HD LYS 83 HD1 LYS 83 16.804 17.891 28.104 666 1HE LYS 83 HE2 LYS 83 17.130 16.554 26.000 667 2HE LYS 83 HE1 LYS 83 18.117 17.854 25.347 668 1HZ LYS 83 HZ1 LYS 83 19.871 16.980 26.452 669 2HZ LYS 83 HZ2 LYS 83 18.880 15.798 27.136 670 3HZ LYS 83 HZ3 LYS 83 19.071 17.289 27.928 671 H TYR 84 HN TYR 84 12.148 18.488 26.209 672 HA TYR 84 HA TYR 84 11.590 20.769 28.016 673 1HB TYR 84 HB2 TYR 84 10.814 20.064 25.214 674 2HB TYR 84 HB1 TYR 84 9.924 21.284 26.049 675 HD1 TYR 84 HD1 TYR 84 12.977 20.572 24.239 676 HD2 TYR 84 HD2 TYR 84 11.086 23.328 26.865 677 HE1 TYR 84 HE1 TYR 84 14.534 22.346 23.544 678 HE2 TYR 84 HE2 TYR 84 12.629 25.090 26.141 679 HH TYR 84 HH TYR 84 13.787 25.557 24.224 680 H GLY 85 HN GLY 85 9.938 17.915 26.899 681 1HA GLY 85 HA2 GLY 85 8.074 16.847 27.927 682 2HA GLY 85 HA1 GLY 85 7.909 18.209 29.001 683 H ILE 86 HN ILE 86 5.896 17.239 28.492 684 HA ILE 86 HA ILE 86 4.333 18.843 26.499 685 HB ILE 86 HB ILE 86 4.592 16.498 25.779 686 1HG1 ILE 86 HG12 ILE 86 1.810 17.296 26.716 687 2HG1 ILE 86 HG11 ILE 86 2.559 17.713 25.186 688 1HG2 ILE 86 HG21 ILE 86 3.569 14.646 27.188 689 2HG2 ILE 86 HG22 ILE 86 3.211 15.834 28.419 690 3HG2 ILE 86 HG23 ILE 86 4.870 15.450 28.040 691 1HD1 ILE 86 HD1 ILE 86 2.655 15.322 24.530 692 2HD1 ILE 86 HD2 ILE 86 1.006 15.838 24.836 693 3HD1 ILE 86 HD3 ILE 86 1.846 14.875 26.032 Start of MODEL 20 1 1H SER 1 HT1 SER 1 0.260 7.292 6.855 2 2H SER 1 HT2 SER 1 -0.052 8.135 5.421 3 3H SER 1 HT3 SER 1 -0.681 8.712 6.888 4 HA SER 1 HA SER 1 1.860 9.273 5.713 5 1HB SER 1 HB2 SER 1 0.320 10.909 7.089 6 2HB SER 1 HB1 SER 1 0.959 10.110 8.542 7 HG SER 1 HG1 SER 1 2.459 11.575 8.121 8 H GLN 2 HN GLN 2 3.360 9.606 8.167 9 HA GLN 2 HA GLN 2 4.141 6.738 8.696 10 1HB GLN 2 HB2 GLN 2 5.782 8.095 7.447 11 2HB GLN 2 HB1 GLN 2 5.714 9.308 8.711 12 1HG GLN 2 HG2 GLN 2 6.643 7.438 10.341 13 2HG GLN 2 HG1 GLN 2 6.923 6.459 8.917 14 1HE2 GLN 2 HE21 GLN 2 7.344 9.706 8.144 15 2HE2 GLN 2 HE22 GLN 2 9.031 9.774 8.314 16 H ALA 3 HN ALA 3 2.923 6.311 10.615 17 HA ALA 3 HA ALA 3 1.985 7.849 12.534 18 1HB ALA 3 HB1 ALA 3 1.795 5.419 12.383 19 2HB ALA 3 HB2 ALA 3 2.330 5.819 13.992 20 3HB ALA 3 HB3 ALA 3 3.475 5.210 12.821 21 H GLU 4 HN GLU 4 5.309 6.620 12.864 22 HA GLU 4 HA GLU 4 5.946 7.905 15.256 23 1HB GLU 4 HB2 GLU 4 7.951 7.748 13.072 24 2HB GLU 4 HB1 GLU 4 8.263 7.542 14.771 25 1HG GLU 4 HG2 GLU 4 7.154 5.312 14.805 26 2HG GLU 4 HG1 GLU 4 6.815 5.435 13.087 27 H PHE 5 HN PHE 5 6.334 9.136 12.107 28 HA PHE 5 HA PHE 5 7.630 11.607 12.935 29 1HB PHE 5 HB2 PHE 5 8.075 10.571 10.723 30 2HB PHE 5 HB1 PHE 5 6.355 10.693 10.384 31 HD1 PHE 5 HD1 PHE 5 5.349 12.791 9.720 32 HD2 PHE 5 HD2 PHE 5 9.488 12.640 10.753 33 HE1 PHE 5 HE1 PHE 5 5.662 15.003 8.779 34 HE2 PHE 5 HE2 PHE 5 9.797 14.883 9.800 35 HZ PHE 5 HZ PHE 5 7.858 16.066 8.797 36 H ASP 6 HN ASP 6 4.290 10.926 11.565 37 HA ASP 6 HA ASP 6 3.359 13.537 11.912 38 1HB ASP 6 HB2 ASP 6 2.034 10.778 12.112 39 2HB ASP 6 HB1 ASP 6 1.165 12.289 11.952 40 H LYS 7 HN LYS 7 3.501 10.795 14.081 41 HA LYS 7 HA LYS 7 2.321 12.041 16.359 42 1HB LYS 7 HB2 LYS 7 2.930 9.595 16.057 43 2HB LYS 7 HB1 LYS 7 4.614 10.009 16.377 44 1HG LYS 7 HG2 LYS 7 3.845 11.016 18.582 45 2HG LYS 7 HG1 LYS 7 2.231 10.477 18.242 46 1HD LYS 7 HD2 LYS 7 4.684 8.776 18.899 47 2HD LYS 7 HD1 LYS 7 3.144 8.834 19.707 48 1HE LYS 7 HE2 LYS 7 2.834 6.859 18.585 49 2HE LYS 7 HE1 LYS 7 2.176 7.963 17.385 50 1HZ LYS 7 HZ1 LYS 7 3.828 7.367 15.946 51 2HZ LYS 7 HZ2 LYS 7 4.404 6.235 17.089 52 3HZ LYS 7 HZ3 LYS 7 4.973 7.844 17.092 53 H ALA 8 HN ALA 8 5.854 11.852 15.316 54 HA ALA 8 HA ALA 8 6.774 13.444 17.438 55 1HB ALA 8 HB1 ALA 8 7.724 13.402 14.511 56 2HB ALA 8 HB2 ALA 8 8.214 12.273 15.760 57 3HB ALA 8 HB3 ALA 8 8.692 13.955 15.858 58 H ALA 9 HN ALA 9 5.724 14.444 14.402 59 HA ALA 9 HA ALA 9 5.937 17.281 14.531 60 1HB ALA 9 HB1 ALA 9 4.330 17.244 12.572 61 2HB ALA 9 HB2 ALA 9 3.990 15.556 12.935 62 3HB ALA 9 HB3 ALA 9 5.601 16.041 12.440 63 H GLU 10 HN GLU 10 2.978 15.354 15.217 64 HA GLU 10 HA GLU 10 1.461 17.657 15.921 65 1HB GLU 10 HB2 GLU 10 0.320 15.637 15.202 66 2HB GLU 10 HB1 GLU 10 1.152 14.665 16.411 67 1HG GLU 10 HG2 GLU 10 -0.003 15.900 18.235 68 2HG GLU 10 HG1 GLU 10 -0.731 17.016 17.079 69 H GLU 11 HN GLU 11 3.492 15.218 17.756 70 HA GLU 11 HA GLU 11 2.686 16.237 20.263 71 1HB GLU 11 HB2 GLU 11 5.082 14.737 19.127 72 2HB GLU 11 HB1 GLU 11 5.054 15.185 20.796 73 1HG GLU 11 HG2 GLU 11 2.793 13.967 20.990 74 2HG GLU 11 HG1 GLU 11 3.050 13.352 19.364 75 H VAL 12 HN VAL 12 5.565 16.926 18.304 76 HA VAL 12 HA VAL 12 6.736 18.936 19.796 77 HB VAL 12 HB VAL 12 7.191 17.949 17.286 78 1HG1 VAL 12 HG11 VAL 12 6.602 20.904 16.746 79 2HG1 VAL 12 HG12 VAL 12 5.687 19.555 16.075 80 3HG1 VAL 12 HG13 VAL 12 7.356 19.771 15.656 81 1HG2 VAL 12 HG21 VAL 12 8.305 20.543 18.470 82 2HG2 VAL 12 HG22 VAL 12 9.128 19.565 17.274 83 3HG2 VAL 12 HG23 VAL 12 8.879 18.932 18.886 84 H LYS 13 HN LYS 13 4.250 19.582 17.327 85 HA LYS 13 HA LYS 13 4.180 22.394 18.092 86 1HB LYS 13 HB2 LYS 13 2.128 22.612 16.834 87 2HB LYS 13 HB1 LYS 13 3.181 21.535 15.964 88 1HG LYS 13 HG2 LYS 13 1.918 19.687 16.275 89 2HG LYS 13 HG1 LYS 13 1.400 20.095 17.868 90 1HD LYS 13 HD2 LYS 13 0.344 21.197 15.207 91 2HD LYS 13 HD1 LYS 13 -0.534 20.149 16.291 92 1HE LYS 13 HE2 LYS 13 0.128 23.105 16.708 93 2HE LYS 13 HE1 LYS 13 -1.443 22.343 16.592 94 1HZ LYS 13 HZ1 LYS 13 0.225 22.619 18.910 95 2HZ LYS 13 HZ2 LYS 13 -0.097 21.019 18.639 96 3HZ LYS 13 HZ3 LYS 13 -1.378 22.042 18.854 97 H HIS 14 HN HIS 14 3.482 20.063 20.187 98 HA HIS 14 HA HIS 14 1.701 21.740 21.870 99 1HB HIS 14 HB2 HIS 14 1.408 18.719 21.595 100 2HB HIS 14 HB1 HIS 14 0.493 19.730 22.674 101 HD1 HIS 14 HD1 HIS 14 0.619 18.641 19.226 102 HD2 HIS 14 HD2 HIS 14 -1.751 21.010 21.545 103 HE1 HIS 14 HE1 HIS 14 -1.518 19.007 17.928 104 H LEU 15 HN LEU 15 4.760 20.664 21.860 105 HA LEU 15 HA LEU 15 4.801 19.002 24.229 106 1HB LEU 15 HB2 LEU 15 6.969 20.716 22.940 107 2HB LEU 15 HB1 LEU 15 7.313 19.578 24.228 108 HG LEU 15 HG LEU 15 5.918 18.801 21.643 109 1HD1 LEU 15 HD11 LEU 15 8.283 19.519 21.198 110 2HD1 LEU 15 HD12 LEU 15 8.103 17.773 21.024 111 3HD1 LEU 15 HD13 LEU 15 8.838 18.437 22.470 112 1HD2 LEU 15 HD21 LEU 15 6.529 16.526 22.300 113 2HD2 LEU 15 HD22 LEU 15 5.513 17.234 23.538 114 3HD2 LEU 15 HD23 LEU 15 7.236 17.115 23.787 115 H LYS 16 HN LYS 16 5.830 19.440 26.297 116 HA LYS 16 HA LYS 16 4.494 21.206 27.909 117 1HB LYS 16 HB2 LYS 16 6.113 19.624 28.918 118 2HB LYS 16 HB1 LYS 16 7.474 20.523 28.274 119 1HG LYS 16 HG2 LYS 16 7.191 21.115 30.623 120 2HG LYS 16 HG1 LYS 16 6.709 22.521 29.721 121 1HD LYS 16 HD2 LYS 16 4.247 21.262 29.872 122 2HD LYS 16 HD1 LYS 16 5.013 20.481 31.212 123 1HE LYS 16 HE2 LYS 16 3.824 22.348 32.096 124 2HE LYS 16 HE1 LYS 16 5.533 22.739 32.192 125 1HZ LYS 16 HZ1 LYS 16 4.640 23.555 29.640 126 2HZ LYS 16 HZ2 LYS 16 5.124 24.556 30.919 127 3HZ LYS 16 HZ3 LYS 16 3.494 24.131 30.779 128 H THR 17 HN THR 17 7.276 21.949 26.250 129 HA THR 17 HA THR 17 7.061 24.928 26.670 130 HB THR 17 HB THR 17 9.635 23.387 26.046 131 HG1 THR 17 HG1 THR 17 9.727 24.833 28.288 132 1HG2 THR 17 HG21 THR 17 9.304 26.319 26.884 133 2HG2 THR 17 HG22 THR 17 9.789 25.796 25.270 134 3HG2 THR 17 HG23 THR 17 10.821 25.471 26.616 135 H LYS 18 HN LYS 18 7.935 26.089 24.940 136 HA LYS 18 HA LYS 18 7.062 25.018 22.302 137 1HB LYS 18 HB2 LYS 18 7.970 27.845 23.019 138 2HB LYS 18 HB1 LYS 18 7.154 27.377 21.541 139 1HG LYS 18 HG2 LYS 18 5.145 26.682 22.930 140 2HG LYS 18 HG1 LYS 18 5.928 27.314 24.350 141 1HD LYS 18 HD2 LYS 18 5.134 28.897 21.829 142 2HD LYS 18 HD1 LYS 18 4.346 29.011 23.380 143 1HE LYS 18 HE2 LYS 18 7.242 29.852 22.838 144 2HE LYS 18 HE1 LYS 18 5.875 30.946 22.917 145 1HZ LYS 18 HZ1 LYS 18 7.337 29.786 25.086 146 2HZ LYS 18 HZ2 LYS 18 5.729 29.316 25.162 147 3HZ LYS 18 HZ3 LYS 18 6.104 30.977 25.166 148 HA PRO 19 HA PRO 19 11.429 23.968 21.762 149 1HB PRO 19 HB2 PRO 19 11.406 23.795 18.944 150 2HB PRO 19 HB1 PRO 19 10.945 22.497 20.047 151 1HG PRO 19 HG2 PRO 19 9.127 24.615 18.793 152 2HG PRO 19 HG1 PRO 19 8.884 22.858 18.761 153 1HD PRO 19 HD2 PRO 19 7.579 24.256 20.561 154 2HD PRO 19 HD1 PRO 19 8.440 22.847 21.210 155 H ALA 20 HN ALA 20 13.294 24.964 21.446 156 HA ALA 20 HA ALA 20 13.386 27.850 21.206 157 1HB ALA 20 HB1 ALA 20 15.893 27.524 21.293 158 2HB ALA 20 HB2 ALA 20 15.654 25.801 21.037 159 3HB ALA 20 HB3 ALA 20 15.074 26.555 22.507 160 H ASP 21 HN ASP 21 14.482 29.157 19.568 161 HA ASP 21 HA ASP 21 13.603 29.140 17.018 162 1HB ASP 21 HB2 ASP 21 14.945 30.908 18.044 163 2HB ASP 21 HB1 ASP 21 16.371 29.898 18.092 164 H GLU 22 HN GLU 22 16.851 27.891 17.538 165 HA GLU 22 HA GLU 22 17.147 26.614 15.084 166 1HB GLU 22 HB2 GLU 22 18.219 25.603 17.828 167 2HB GLU 22 HB1 GLU 22 18.871 25.106 16.286 168 1HG GLU 22 HG2 GLU 22 19.632 27.503 15.919 169 2HG GLU 22 HG1 GLU 22 19.121 27.866 17.562 170 H GLU 23 HN GLU 23 15.356 25.403 17.759 171 HA GLU 23 HA GLU 23 15.181 22.710 16.602 172 1HB GLU 23 HB2 GLU 23 13.653 24.040 18.910 173 2HB GLU 23 HB1 GLU 23 13.699 22.306 18.596 174 1HG GLU 23 HG2 GLU 23 16.373 22.653 18.684 175 2HG GLU 23 HG1 GLU 23 15.967 24.149 19.484 176 H MET 24 HN MET 24 13.121 25.568 16.963 177 HA MET 24 HA MET 24 10.804 24.630 15.571 178 1HB MET 24 HB2 MET 24 12.096 27.419 15.403 179 2HB MET 24 HB1 MET 24 10.468 27.061 14.873 180 1HG MET 24 HG2 MET 24 10.067 26.272 17.324 181 2HG MET 24 HG1 MET 24 11.582 27.052 17.673 182 1HE MET 24 HE1 MET 24 8.532 27.419 15.697 183 2HE MET 24 HE2 MET 24 8.264 29.138 15.568 184 3HE MET 24 HE3 MET 24 7.578 28.227 16.930 185 H LEU 25 HN LEU 25 13.785 26.116 14.419 186 HA LEU 25 HA LEU 25 13.305 25.830 11.653 187 1HB LEU 25 HB2 LEU 25 15.605 26.389 13.518 188 2HB LEU 25 HB1 LEU 25 15.976 26.098 11.852 189 HG LEU 25 HG LEU 25 13.945 28.206 12.808 190 1HD1 LEU 25 HD11 LEU 25 16.317 28.596 13.538 191 2HD1 LEU 25 HD12 LEU 25 15.745 29.774 12.389 192 3HD1 LEU 25 HD13 LEU 25 16.832 28.488 11.866 193 1HD2 LEU 25 HD21 LEU 25 13.649 27.375 10.433 194 2HD2 LEU 25 HD22 LEU 25 15.326 27.792 10.124 195 3HD2 LEU 25 HD23 LEU 25 14.172 29.047 10.554 196 H PHE 26 HN PHE 26 15.068 23.715 13.900 197 HA PHE 26 HA PHE 26 16.038 21.926 11.856 198 1HB PHE 26 HB2 PHE 26 16.710 21.913 14.312 199 2HB PHE 26 HB1 PHE 26 15.172 21.138 14.699 200 HD1 PHE 26 HD1 PHE 26 14.626 18.910 13.497 201 HD2 PHE 26 HD2 PHE 26 18.517 20.636 13.445 202 HE1 PHE 26 HE1 PHE 26 15.570 16.754 12.821 203 HE2 PHE 26 HE2 PHE 26 19.467 18.475 12.768 204 HZ PHE 26 HZ PHE 26 17.981 16.526 12.453 205 H ILE 27 HN ILE 27 13.111 21.943 13.833 206 HA ILE 27 HA ILE 27 11.784 19.731 12.636 207 HB ILE 27 HB ILE 27 11.023 22.227 14.156 208 1HG1 ILE 27 HG12 ILE 27 10.235 20.772 15.912 209 2HG1 ILE 27 HG11 ILE 27 10.163 19.356 14.892 210 1HG2 ILE 27 HG21 ILE 27 8.569 21.570 14.242 211 2HG2 ILE 27 HG22 ILE 27 8.854 20.383 13.001 212 3HG2 ILE 27 HG23 ILE 27 9.026 22.079 12.653 213 1HD1 ILE 27 HD1 ILE 27 12.680 19.383 14.771 214 2HD1 ILE 27 HD2 ILE 27 12.103 19.216 16.407 215 3HD1 ILE 27 HD3 ILE 27 12.709 20.767 15.839 216 H TYR 28 HN TYR 28 10.597 22.959 12.191 217 HA TYR 28 HA TYR 28 9.416 22.989 9.762 218 1HB TYR 28 HB2 TYR 28 10.171 25.160 10.876 219 2HB TYR 28 HB1 TYR 28 11.700 24.997 10.017 220 HD1 TYR 28 HD1 TYR 28 11.692 24.963 7.462 221 HD2 TYR 28 HD2 TYR 28 8.121 25.672 9.675 222 HE1 TYR 28 HE1 TYR 28 10.596 25.732 5.433 223 HE2 TYR 28 HE2 TYR 28 7.012 26.442 7.616 224 HH TYR 28 HH TYR 28 7.482 27.246 5.456 225 H SER 29 HN SER 29 13.110 23.102 9.600 226 HA SER 29 HA SER 29 13.272 22.838 6.870 227 1HB SER 29 HB2 SER 29 15.656 22.256 7.504 228 2HB SER 29 HB1 SER 29 15.071 23.613 8.447 229 HG SER 29 HG1 SER 29 14.743 22.293 10.156 230 H HIS 30 HN HIS 30 13.747 20.384 9.297 231 HA HIS 30 HA HIS 30 13.925 18.172 7.479 232 1HB HIS 30 HB2 HIS 30 13.405 18.392 10.484 233 2HB HIS 30 HB1 HIS 30 13.647 16.840 9.692 234 HD1 HIS 30 HD1 HIS 30 15.510 20.130 9.916 235 HD2 HIS 30 HD2 HIS 30 16.217 16.121 9.527 236 HE1 HIS 30 HE1 HIS 30 17.978 19.842 9.963 237 H TYR 31 HN TYR 31 11.201 19.501 9.242 238 HA TYR 31 HA TYR 31 9.326 17.416 8.698 239 1HB TYR 31 HB2 TYR 31 8.911 19.372 10.350 240 2HB TYR 31 HB1 TYR 31 8.766 20.436 8.986 241 HD1 TYR 31 HD1 TYR 31 7.171 17.471 10.642 242 HD2 TYR 31 HD2 TYR 31 6.759 20.535 7.715 243 HE1 TYR 31 HE1 TYR 31 4.796 16.912 10.373 244 HE2 TYR 31 HE2 TYR 31 4.377 19.959 7.479 245 HH TYR 31 HH TYR 31 2.809 17.411 9.241 246 H LYS 32 HN LYS 32 10.321 20.383 7.152 247 HA LYS 32 HA LYS 32 8.577 20.007 4.856 248 1HB LYS 32 HB2 LYS 32 11.187 21.633 5.082 249 2HB LYS 32 HB1 LYS 32 10.127 21.567 3.708 250 1HG LYS 32 HG2 LYS 32 9.256 22.624 6.372 251 2HG LYS 32 HG1 LYS 32 9.676 23.555 4.942 252 1HD LYS 32 HD2 LYS 32 7.942 22.218 3.630 253 2HD LYS 32 HD1 LYS 32 7.418 21.536 5.173 254 1HE LYS 32 HE2 LYS 32 6.921 23.776 6.003 255 2HE LYS 32 HE1 LYS 32 7.303 24.415 4.392 256 1HZ LYS 32 HZ1 LYS 32 5.705 22.071 4.122 257 2HZ LYS 32 HZ2 LYS 32 5.302 23.681 3.674 258 3HZ LYS 32 HZ3 LYS 32 4.931 23.102 5.215 259 H GLN 33 HN GLN 33 12.159 19.340 4.976 260 HA GLN 33 HA GLN 33 12.034 17.987 2.433 261 1HB GLN 33 HB2 GLN 33 13.979 18.414 4.453 262 2HB GLN 33 HB1 GLN 33 13.906 16.679 4.254 263 1HG GLN 33 HG2 GLN 33 14.164 18.597 1.867 264 2HG GLN 33 HG1 GLN 33 15.559 17.886 2.628 265 1HE2 GLN 33 HE21 GLN 33 14.293 17.534 -0.204 266 2HE2 GLN 33 HE22 GLN 33 14.143 15.866 -0.332 267 H ALA 34 HN ALA 34 11.210 16.710 5.581 268 HA ALA 34 HA ALA 34 10.909 13.960 4.876 269 1HB ALA 34 HB1 ALA 34 11.153 14.812 7.211 270 2HB ALA 34 HB2 ALA 34 9.672 13.884 7.053 271 3HB ALA 34 HB3 ALA 34 9.621 15.631 7.059 272 H THR 35 HN THR 35 8.482 16.534 5.092 273 HA THR 35 HA THR 35 6.491 14.733 3.761 274 HB THR 35 HB THR 35 4.695 16.276 4.601 275 HG1 THR 35 HG1 THR 35 6.960 17.663 5.631 276 1HG2 THR 35 HG21 THR 35 5.090 16.181 7.011 277 2HG2 THR 35 HG22 THR 35 6.813 15.922 6.794 278 3HG2 THR 35 HG23 THR 35 5.681 14.660 6.352 279 H VAL 36 HN VAL 36 7.966 17.719 3.139 280 HA VAL 36 HA VAL 36 6.258 18.121 0.681 281 HB VAL 36 HB VAL 36 8.080 20.054 2.211 282 1HG1 VAL 36 HG11 VAL 36 6.432 20.550 -0.336 283 2HG1 VAL 36 HG12 VAL 36 8.183 20.543 -0.283 284 3HG1 VAL 36 HG13 VAL 36 7.285 21.794 0.553 285 1HG2 VAL 36 HG21 VAL 36 5.898 19.669 3.235 286 2HG2 VAL 36 HG22 VAL 36 5.084 19.962 1.698 287 3HG2 VAL 36 HG23 VAL 36 5.915 21.279 2.492 288 H GLY 37 HN GLY 37 9.487 17.950 1.803 289 1HA GLY 37 HA2 GLY 37 11.225 16.683 0.571 290 2HA GLY 37 HA1 GLY 37 10.465 17.196 -0.932 291 H ASP 38 HN ASP 38 12.377 17.785 -1.703 292 HA ASP 38 HA ASP 38 14.283 19.541 -0.738 293 1HB ASP 38 HB2 ASP 38 13.375 19.030 -3.646 294 2HB ASP 38 HB1 ASP 38 14.964 19.460 -3.083 295 H ILE 39 HN ILE 39 13.806 21.654 -0.094 296 HA ILE 39 HA ILE 39 11.851 23.518 -0.094 297 HB ILE 39 HB ILE 39 14.218 23.675 0.447 298 1HG1 ILE 39 HG12 ILE 39 12.747 26.086 -0.680 299 2HG1 ILE 39 HG11 ILE 39 12.259 25.249 0.749 300 1HG2 ILE 39 HG21 ILE 39 15.584 24.995 -1.157 301 2HG2 ILE 39 HG22 ILE 39 14.317 24.867 -2.360 302 3HG2 ILE 39 HG23 ILE 39 15.171 23.427 -1.814 303 1HD1 ILE 39 HD1 ILE 39 13.689 27.097 1.414 304 2HD1 ILE 39 HD2 ILE 39 14.997 26.461 0.429 305 3HD1 ILE 39 HD3 ILE 39 14.410 25.569 1.818 306 H ASN 40 HN ASN 40 10.256 24.258 -1.245 307 HA ASN 40 HA ASN 40 10.504 24.501 -4.203 308 1HB ASN 40 HB2 ASN 40 8.252 23.408 -2.503 309 2HB ASN 40 HB1 ASN 40 7.856 24.196 -4.007 310 1HD2 ASN 40 HD21 ASN 40 10.715 21.894 -3.515 311 2HD2 ASN 40 HD22 ASN 40 10.003 20.873 -4.657 312 H THR 41 HN THR 41 10.342 26.240 -1.470 313 HA THR 41 HA THR 41 8.607 28.345 -2.673 314 HB THR 41 HB THR 41 8.940 29.428 -0.293 315 HG1 THR 41 HG1 THR 41 9.350 27.119 0.884 316 1HG2 THR 41 HG21 THR 41 6.858 28.103 -0.911 317 2HG2 THR 41 HG22 THR 41 7.301 27.901 0.774 318 3HG2 THR 41 HG23 THR 41 7.674 26.636 -0.404 319 H GLU 42 HN GLU 42 9.344 30.455 -2.507 320 HA GLU 42 HA GLU 42 11.938 30.657 -3.658 321 1HB GLU 42 HB2 GLU 42 10.043 32.778 -2.798 322 2HB GLU 42 HB1 GLU 42 11.211 32.892 -4.099 323 1HG GLU 42 HG2 GLU 42 8.545 31.312 -4.096 324 2HG GLU 42 HG1 GLU 42 9.131 32.407 -5.307 325 H ARG 43 HN ARG 43 13.794 31.274 -2.984 326 HA ARG 43 HA ARG 43 14.385 31.625 -0.209 327 1HB ARG 43 HB2 ARG 43 15.829 30.701 -1.994 328 2HB ARG 43 HB1 ARG 43 15.919 32.264 -2.709 329 1HG ARG 43 HG2 ARG 43 17.009 33.112 -0.549 330 2HG ARG 43 HG1 ARG 43 16.881 31.470 0.064 331 1HD ARG 43 HD2 ARG 43 18.221 30.715 -1.985 332 2HD ARG 43 HD1 ARG 43 18.481 32.408 -2.375 333 HE ARG 43 HE ARG 43 20.433 31.857 -1.008 334 1HH1 ARG 43 HH11 ARG 43 18.733 33.350 0.864 335 2HH1 ARG 43 HH12 ARG 43 18.957 32.354 2.301 336 1HH2 ARG 43 HH21 ARG 43 20.229 29.743 0.563 337 2HH2 ARG 43 HH22 ARG 43 19.879 30.400 2.143 338 HA PRO 44 HA PRO 44 12.981 35.760 0.849 339 1HB PRO 44 HB2 PRO 44 15.954 35.871 1.402 340 2HB PRO 44 HB1 PRO 44 14.649 36.691 2.285 341 1HG PRO 44 HG2 PRO 44 15.556 34.231 3.026 342 2HG PRO 44 HG1 PRO 44 13.854 34.657 3.226 343 1HD PRO 44 HD2 PRO 44 14.991 32.618 1.406 344 2HD PRO 44 HD1 PRO 44 13.288 32.979 1.689 345 H GLY 45 HN GLY 45 15.626 37.669 0.400 346 1HA GLY 45 HA2 GLY 45 16.335 38.927 -1.579 347 2HA GLY 45 HA1 GLY 45 14.833 38.514 -2.368 348 H MET 46 HN MET 46 12.953 39.336 -0.777 349 HA MET 46 HA MET 46 13.260 42.295 -0.717 350 1HB MET 46 HB2 MET 46 10.686 40.677 -0.401 351 2HB MET 46 HB1 MET 46 10.807 42.363 -0.865 352 1HG MET 46 HG2 MET 46 10.289 41.099 -2.840 353 2HG MET 46 HG1 MET 46 11.914 41.704 -2.984 354 1HE MET 46 HE1 MET 46 10.853 37.344 -2.062 355 2HE MET 46 HE2 MET 46 9.731 38.681 -1.985 356 3HE MET 46 HE3 MET 46 11.011 38.509 -0.764 357 H LEU 47 HN LEU 47 11.079 42.792 1.005 358 HA LEU 47 HA LEU 47 12.437 42.854 3.524 359 1HB LEU 47 HB2 LEU 47 9.671 43.603 2.558 360 2HB LEU 47 HB1 LEU 47 10.064 43.779 4.250 361 HG LEU 47 HG LEU 47 11.836 45.009 2.080 362 1HD1 LEU 47 HD11 LEU 47 9.545 46.260 3.677 363 2HD1 LEU 47 HD12 LEU 47 9.488 45.905 1.958 364 3HD1 LEU 47 HD13 LEU 47 10.607 47.111 2.567 365 1HD2 LEU 47 HD21 LEU 47 12.580 46.385 4.002 366 2HD2 LEU 47 HD22 LEU 47 12.755 44.696 4.435 367 3HD2 LEU 47 HD23 LEU 47 11.396 45.625 5.050 368 H ASP 48 HN ASP 48 12.590 40.282 3.358 369 HA ASP 48 HA ASP 48 10.495 39.159 5.170 370 1HB ASP 48 HB2 ASP 48 12.641 37.579 3.646 371 2HB ASP 48 HB1 ASP 48 11.208 36.948 4.432 372 H PHE 49 HN PHE 49 11.549 37.987 7.178 373 HA PHE 49 HA PHE 49 14.392 38.765 7.491 374 1HB PHE 49 HB2 PHE 49 12.126 38.957 9.624 375 2HB PHE 49 HB1 PHE 49 13.793 39.493 9.798 376 HD1 PHE 49 HD1 PHE 49 10.691 40.033 7.798 377 HD2 PHE 49 HD2 PHE 49 14.331 41.776 9.163 378 HE1 PHE 49 HE1 PHE 49 9.993 42.178 6.889 379 HE2 PHE 49 HE2 PHE 49 13.617 43.945 8.245 380 HZ PHE 49 HZ PHE 49 11.449 44.150 7.112 381 H LYS 50 HN LYS 50 12.614 37.204 9.941 382 HA LYS 50 HA LYS 50 13.995 34.828 10.189 383 1HB LYS 50 HB2 LYS 50 11.033 35.338 10.586 384 2HB LYS 50 HB1 LYS 50 11.912 34.013 11.338 385 1HG LYS 50 HG2 LYS 50 13.394 35.511 12.542 386 2HG LYS 50 HG1 LYS 50 12.795 36.937 11.747 387 1HD LYS 50 HD2 LYS 50 11.192 35.126 13.598 388 2HD LYS 50 HD1 LYS 50 11.891 36.672 14.031 389 1HE LYS 50 HE2 LYS 50 10.471 37.761 12.225 390 2HE LYS 50 HE1 LYS 50 9.688 36.205 11.959 391 1HZ LYS 50 HZ1 LYS 50 8.368 36.596 13.735 392 2HZ LYS 50 HZ2 LYS 50 9.113 38.090 13.983 393 3HZ LYS 50 HZ3 LYS 50 9.727 36.709 14.724 394 H GLY 51 HN GLY 51 12.058 35.554 7.559 395 1HA GLY 51 HA2 GLY 51 11.045 33.046 6.660 396 2HA GLY 51 HA1 GLY 51 11.353 34.457 5.637 397 H LYS 52 HN LYS 52 14.081 34.735 6.356 398 HA LYS 52 HA LYS 52 15.337 32.879 4.501 399 1HB LYS 52 HB2 LYS 52 17.092 34.446 4.545 400 2HB LYS 52 HB1 LYS 52 15.941 35.433 5.413 401 1HG LYS 52 HG2 LYS 52 16.857 35.132 7.473 402 2HG LYS 52 HG1 LYS 52 17.660 33.629 7.146 403 1HD LYS 52 HD2 LYS 52 18.484 36.377 6.133 404 2HD LYS 52 HD1 LYS 52 19.310 35.453 7.358 405 1HE LYS 52 HE2 LYS 52 19.209 34.891 4.361 406 2HE LYS 52 HE1 LYS 52 20.605 35.229 5.355 407 1HZ LYS 52 HZ1 LYS 52 19.451 32.705 4.786 408 2HZ LYS 52 HZ2 LYS 52 19.315 32.940 6.422 409 3HZ LYS 52 HZ3 LYS 52 20.830 32.984 5.698 410 H ALA 53 HN ALA 53 15.259 33.155 8.036 411 HA ALA 53 HA ALA 53 17.263 31.109 8.556 412 1HB ALA 53 HB1 ALA 53 16.260 32.616 10.313 413 2HB ALA 53 HB2 ALA 53 16.129 30.936 10.769 414 3HB ALA 53 HB3 ALA 53 14.726 31.786 10.146 415 H LYS 54 HN LYS 54 13.713 30.923 8.558 416 HA LYS 54 HA LYS 54 13.288 28.200 8.412 417 1HB LYS 54 HB2 LYS 54 11.717 30.009 8.888 418 2HB LYS 54 HB1 LYS 54 11.956 30.717 7.328 419 1HG LYS 54 HG2 LYS 54 10.625 28.010 7.748 420 2HG LYS 54 HG1 LYS 54 9.720 29.505 7.772 421 1HD LYS 54 HD2 LYS 54 11.503 28.655 5.461 422 2HD LYS 54 HD1 LYS 54 9.817 28.272 5.517 423 1HE LYS 54 HE2 LYS 54 9.102 30.515 5.269 424 2HE LYS 54 HE1 LYS 54 10.667 31.166 5.737 425 1HZ LYS 54 HZ1 LYS 54 9.816 30.393 3.139 426 2HZ LYS 54 HZ2 LYS 54 11.119 29.418 3.623 427 3HZ LYS 54 HZ3 LYS 54 11.295 31.107 3.653 428 H TRP 55 HN TRP 55 13.559 30.313 5.514 429 HA TRP 55 HA TRP 55 13.386 28.259 3.682 430 1HB TRP 55 HB2 TRP 55 13.228 30.849 3.358 431 2HB TRP 55 HB1 TRP 55 14.967 30.827 3.251 432 HD1 TRP 55 HD1 TRP 55 11.805 29.678 1.242 433 HE1 TRP 55 HE1 TRP 55 12.764 28.697 -0.883 434 HE3 TRP 55 HE3 TRP 55 16.826 29.762 2.114 435 HZ2 TRP 55 HZ2 TRP 55 15.007 28.176 -2.203 436 HZ3 TRP 55 HZ3 TRP 55 18.364 28.976 0.362 437 HH2 TRP 55 HH2 TRP 55 17.533 28.178 -1.765 438 H ASP 56 HN ASP 56 16.161 29.959 4.666 439 HA ASP 56 HA ASP 56 18.116 28.422 3.276 440 1HB ASP 56 HB2 ASP 56 18.248 29.996 5.878 441 2HB ASP 56 HB1 ASP 56 19.650 29.262 5.167 442 H ALA 57 HN ALA 57 16.917 27.955 6.609 443 HA ALA 57 HA ALA 57 18.432 25.754 7.349 444 1HB ALA 57 HB1 ALA 57 17.075 27.143 8.876 445 2HB ALA 57 HB2 ALA 57 16.592 25.455 9.026 446 3HB ALA 57 HB3 ALA 57 15.588 26.580 8.115 447 H TRP 58 HN TRP 58 15.431 25.959 5.481 448 HA TRP 58 HA TRP 58 15.209 22.973 5.401 449 1HB TRP 58 HB2 TRP 58 13.213 24.391 5.247 450 2HB TRP 58 HB1 TRP 58 13.852 25.142 3.803 451 HD1 TRP 58 HD1 TRP 58 14.610 21.328 3.646 452 HE1 TRP 58 HE1 TRP 58 12.733 20.446 2.071 453 HE3 TRP 58 HE3 TRP 58 11.566 25.292 3.450 454 HZ2 TRP 58 HZ2 TRP 58 10.284 21.254 0.916 455 HZ3 TRP 58 HZ3 TRP 58 9.447 25.275 2.155 456 HH2 TRP 58 HH2 TRP 58 8.833 23.262 0.893 457 H ASN 59 HN ASN 59 16.063 25.567 3.063 458 HA ASN 59 HA ASN 59 16.757 24.111 0.856 459 1HB ASN 59 HB2 ASN 59 16.982 26.412 0.599 460 2HB ASN 59 HB1 ASN 59 17.721 26.636 2.162 461 1HD2 ASN 59 HD21 ASN 59 19.852 26.808 2.267 462 2HD2 ASN 59 HD22 ASN 59 20.932 26.482 0.953 463 H GLU 60 HN GLU 60 18.668 24.696 3.685 464 HA GLU 60 HA GLU 60 21.145 23.591 3.177 465 1HB GLU 60 HB2 GLU 60 20.512 24.745 5.267 466 2HB GLU 60 HB1 GLU 60 19.448 23.427 5.698 467 1HG GLU 60 HG2 GLU 60 21.324 21.870 5.939 468 2HG GLU 60 HG1 GLU 60 22.440 23.060 5.294 469 H LEU 61 HN LEU 61 18.213 21.978 3.753 470 HA LEU 61 HA LEU 61 19.279 19.216 3.685 471 1HB LEU 61 HB2 LEU 61 16.398 19.983 4.075 472 2HB LEU 61 HB1 LEU 61 17.197 18.469 4.468 473 HG LEU 61 HG LEU 61 17.762 21.134 5.866 474 1HD1 LEU 61 HD11 LEU 61 16.203 18.647 6.674 475 2HD1 LEU 61 HD12 LEU 61 15.477 20.183 6.231 476 3HD1 LEU 61 HD13 LEU 61 16.466 20.065 7.678 477 1HD2 LEU 61 HD21 LEU 61 18.967 19.731 7.453 478 2HD2 LEU 61 HD22 LEU 61 19.664 19.491 5.868 479 3HD2 LEU 61 HD23 LEU 61 18.605 18.263 6.555 480 H LYS 62 HN LYS 62 17.858 21.481 1.470 481 HA LYS 62 HA LYS 62 16.141 20.453 -0.018 482 1HB LYS 62 HB2 LYS 62 17.495 22.475 -0.483 483 2HB LYS 62 HB1 LYS 62 18.785 21.505 -1.086 484 1HG LYS 62 HG2 LYS 62 15.927 21.524 -2.243 485 2HG LYS 62 HG1 LYS 62 17.104 22.667 -2.813 486 1HD LYS 62 HD2 LYS 62 16.891 19.650 -3.348 487 2HD LYS 62 HD1 LYS 62 16.973 20.950 -4.465 488 1HE LYS 62 HE2 LYS 62 19.236 19.982 -2.750 489 2HE LYS 62 HE1 LYS 62 18.995 19.630 -4.452 490 1HZ LYS 62 HZ1 LYS 62 19.946 21.604 -4.981 491 2HZ LYS 62 HZ2 LYS 62 20.206 21.912 -3.326 492 3HZ LYS 62 HZ3 LYS 62 18.785 22.432 -4.068 493 H GLY 63 HN GLY 63 19.188 18.606 -0.387 494 1HA GLY 63 HA2 GLY 63 17.645 17.109 -2.419 495 2HA GLY 63 HA1 GLY 63 19.391 17.123 -2.264 496 H THR 64 HN THR 64 17.855 17.012 0.533 497 HA THR 64 HA THR 64 18.845 14.422 1.361 498 HB THR 64 HB THR 64 16.589 16.092 2.621 499 HG1 THR 64 HG1 THR 64 18.646 16.880 2.525 500 1HG2 THR 64 HG21 THR 64 17.092 14.934 4.666 501 2HG2 THR 64 HG22 THR 64 18.266 13.886 3.886 502 3HG2 THR 64 HG23 THR 64 16.532 13.727 3.532 503 H SER 65 HN SER 65 17.481 12.636 2.135 504 HA SER 65 HA SER 65 15.557 11.806 0.075 505 1HB SER 65 HB2 SER 65 17.215 10.245 2.205 506 2HB SER 65 HB1 SER 65 16.167 9.496 0.984 507 HG SER 65 HG1 SER 65 18.660 10.163 0.532 508 H LYS 66 HN LYS 66 13.479 12.400 0.918 509 HA LYS 66 HA LYS 66 12.757 13.525 3.256 510 1HB LYS 66 HB2 LYS 66 10.513 12.442 3.122 511 2HB LYS 66 HB1 LYS 66 11.080 13.024 1.577 512 1HG LYS 66 HG2 LYS 66 11.658 10.686 0.924 513 2HG LYS 66 HG1 LYS 66 11.228 10.085 2.507 514 1HD LYS 66 HD2 LYS 66 9.248 9.638 1.300 515 2HD LYS 66 HD1 LYS 66 8.904 11.086 2.201 516 1HE LYS 66 HE2 LYS 66 8.041 11.463 0.013 517 2HE LYS 66 HE1 LYS 66 9.505 12.440 0.135 518 1HZ LYS 66 HZ1 LYS 66 10.362 11.300 -1.577 519 2HZ LYS 66 HZ2 LYS 66 8.965 10.327 -1.692 520 3HZ LYS 66 HZ3 LYS 66 10.261 9.872 -0.669 521 H GLU 67 HN GLU 67 13.289 10.104 2.967 522 HA GLU 67 HA GLU 67 12.413 9.194 5.401 523 1HB GLU 67 HB2 GLU 67 14.834 8.403 3.614 524 2HB GLU 67 HB1 GLU 67 14.107 7.317 4.766 525 1HG GLU 67 HG2 GLU 67 11.892 7.534 3.452 526 2HG GLU 67 HG1 GLU 67 12.776 8.395 2.219 527 H ASP 68 HN ASP 68 15.731 10.460 4.783 528 HA ASP 68 HA ASP 68 16.433 10.106 7.512 529 1HB ASP 68 HB2 ASP 68 17.467 11.540 5.065 530 2HB ASP 68 HB1 ASP 68 18.205 11.930 6.604 531 H ALA 69 HN ALA 69 15.142 12.738 5.772 532 HA ALA 69 HA ALA 69 15.086 14.667 7.885 533 1HB ALA 69 HB1 ALA 69 12.899 14.170 5.782 534 2HB ALA 69 HB2 ALA 69 14.370 15.065 5.503 535 3HB ALA 69 HB3 ALA 69 13.168 15.689 6.620 536 H MET 70 HN MET 70 12.676 12.177 7.058 537 HA MET 70 HA MET 70 10.880 12.467 9.149 538 1HB MET 70 HB2 MET 70 11.869 10.294 7.332 539 2HB MET 70 HB1 MET 70 10.791 9.835 8.564 540 1HG MET 70 HG2 MET 70 9.383 11.884 7.582 541 2HG MET 70 HG1 MET 70 10.598 11.962 6.347 542 1HE MET 70 HE1 MET 70 7.122 11.229 6.878 543 2HE MET 70 HE2 MET 70 6.900 10.760 5.195 544 3HE MET 70 HE3 MET 70 7.841 12.183 5.563 545 H LYS 71 HN LYS 71 13.530 10.229 8.955 546 HA LYS 71 HA LYS 71 13.439 9.167 11.546 547 1HB LYS 71 HB2 LYS 71 15.892 9.705 9.858 548 2HB LYS 71 HB1 LYS 71 15.911 8.724 11.327 549 1HG LYS 71 HG2 LYS 71 14.171 7.252 10.209 550 2HG LYS 71 HG1 LYS 71 14.471 8.110 8.717 551 1HD LYS 71 HD2 LYS 71 16.625 6.673 10.356 552 2HD LYS 71 HD1 LYS 71 15.837 6.018 8.940 553 1HE LYS 71 HE2 LYS 71 17.864 6.867 8.078 554 2HE LYS 71 HE1 LYS 71 16.672 8.077 7.675 555 1HZ LYS 71 HZ1 LYS 71 17.686 8.753 10.250 556 2HZ LYS 71 HZ2 LYS 71 17.907 9.544 8.729 557 3HZ LYS 71 HZ3 LYS 71 18.997 8.408 9.184 558 H ALA 72 HN ALA 72 15.777 11.733 10.456 559 HA ALA 72 HA ALA 72 16.841 12.440 12.833 560 1HB ALA 72 HB1 ALA 72 17.286 14.595 11.577 561 2HB ALA 72 HB2 ALA 72 16.057 14.156 10.403 562 3HB ALA 72 HB3 ALA 72 17.522 13.204 10.541 563 H TYR 73 HN TYR 73 13.942 13.769 11.264 564 HA TYR 73 HA TYR 73 13.209 15.629 13.216 565 1HB TYR 73 HB2 TYR 73 12.292 15.287 10.942 566 2HB TYR 73 HB1 TYR 73 11.464 13.847 11.449 567 HD1 TYR 73 HD1 TYR 73 11.564 17.423 11.446 568 HD2 TYR 73 HD2 TYR 73 9.485 14.078 13.048 569 HE1 TYR 73 HE1 TYR 73 9.737 18.868 12.038 570 HE2 TYR 73 HE2 TYR 73 7.624 15.565 13.666 571 HH TYR 73 HH TYR 73 7.824 18.718 13.991 572 H ILE 74 HN ILE 74 12.161 12.351 12.897 573 HA ILE 74 HA ILE 74 10.570 12.041 15.263 574 HB ILE 74 HB ILE 74 12.299 10.035 13.739 575 1HG1 ILE 74 HG12 ILE 74 9.273 10.452 13.821 576 2HG1 ILE 74 HG11 ILE 74 10.299 11.191 12.608 577 1HG2 ILE 74 HG21 ILE 74 11.930 9.153 16.039 578 2HG2 ILE 74 HG22 ILE 74 10.996 8.244 14.891 579 3HG2 ILE 74 HG23 ILE 74 10.210 9.453 15.887 580 1HD1 ILE 74 HD1 ILE 74 10.051 8.181 13.037 581 2HD1 ILE 74 HD2 ILE 74 11.098 8.961 11.882 582 3HD1 ILE 74 HD3 ILE 74 9.362 9.084 11.706 583 H ASP 75 HN ASP 75 14.037 11.192 14.931 584 HA ASP 75 HA ASP 75 14.565 10.628 17.611 585 1HB ASP 75 HB2 ASP 75 16.180 11.706 15.264 586 2HB ASP 75 HB1 ASP 75 16.914 11.260 16.776 587 H LYS 76 HN LYS 76 15.167 13.631 15.896 588 HA LYS 76 HA LYS 76 15.999 15.247 18.055 589 1HB LYS 76 HB2 LYS 76 15.259 15.564 15.272 590 2HB LYS 76 HB1 LYS 76 14.493 16.856 16.139 591 1HG LYS 76 HG2 LYS 76 17.444 16.222 16.460 592 2HG LYS 76 HG1 LYS 76 16.852 17.422 15.338 593 1HD LYS 76 HD2 LYS 76 15.768 18.643 17.324 594 2HD LYS 76 HD1 LYS 76 16.533 17.473 18.371 595 1HE LYS 76 HE2 LYS 76 17.968 19.417 18.352 596 2HE LYS 76 HE1 LYS 76 18.778 18.145 17.466 597 1HZ LYS 76 HZ1 LYS 76 18.069 20.717 16.546 598 2HZ LYS 76 HZ2 LYS 76 17.153 19.619 15.634 599 3HZ LYS 76 HZ3 LYS 76 18.825 19.470 15.642 600 H VAL 77 HN VAL 77 12.678 14.897 16.798 601 HA VAL 77 HA VAL 77 11.437 16.618 18.709 602 HB VAL 77 HB VAL 77 10.388 14.220 17.135 603 1HG1 VAL 77 HG11 VAL 77 8.120 15.049 17.803 604 2HG1 VAL 77 HG12 VAL 77 8.833 16.288 18.784 605 3HG1 VAL 77 HG13 VAL 77 9.006 14.597 19.228 606 1HG2 VAL 77 HG21 VAL 77 9.199 16.023 15.804 607 2HG2 VAL 77 HG22 VAL 77 10.933 16.287 15.764 608 3HG2 VAL 77 HG23 VAL 77 9.913 17.243 16.835 609 H GLU 78 HN GLU 78 12.078 13.130 18.712 610 HA GLU 78 HA GLU 78 10.851 12.649 21.245 611 1HB GLU 78 HB2 GLU 78 11.633 10.812 19.677 612 2HB GLU 78 HB1 GLU 78 13.292 11.222 20.078 613 1HG GLU 78 HG2 GLU 78 12.949 10.822 22.408 614 2HG GLU 78 HG1 GLU 78 11.177 10.694 22.218 615 H GLU 79 HN GLU 79 14.248 13.731 20.377 616 HA GLU 79 HA GLU 79 15.232 13.631 23.016 617 1HB GLU 79 HB2 GLU 79 15.871 15.422 20.580 618 2HB GLU 79 HB1 GLU 79 16.847 15.425 22.022 619 1HG GLU 79 HG2 GLU 79 17.372 12.958 21.634 620 2HG GLU 79 HG1 GLU 79 16.468 13.009 20.148 621 H LEU 80 HN LEU 80 13.821 16.329 21.117 622 HA LEU 80 HA LEU 80 13.486 18.265 23.133 623 1HB LEU 80 HB2 LEU 80 11.353 17.454 21.072 624 2HB LEU 80 HB1 LEU 80 11.324 18.957 21.944 625 HG LEU 80 HG LEU 80 13.353 18.122 19.856 626 1HD1 LEU 80 HD11 LEU 80 11.058 18.730 19.052 627 2HD1 LEU 80 HD12 LEU 80 12.226 19.965 18.624 628 3HD1 LEU 80 HD13 LEU 80 11.133 20.224 19.972 629 1HD2 LEU 80 HD21 LEU 80 14.122 20.409 20.105 630 2HD2 LEU 80 HD22 LEU 80 14.328 19.582 21.635 631 3HD2 LEU 80 HD23 LEU 80 12.990 20.689 21.413 632 H LYS 81 HN LYS 81 11.130 15.787 22.573 633 HA LYS 81 HA LYS 81 9.508 16.509 24.762 634 1HB LYS 81 HB2 LYS 81 8.794 15.069 23.088 635 2HB LYS 81 HB1 LYS 81 10.109 13.921 23.290 636 1HG LYS 81 HG2 LYS 81 9.119 13.051 25.326 637 2HG LYS 81 HG1 LYS 81 8.104 14.463 25.522 638 1HD LYS 81 HD2 LYS 81 6.734 12.600 24.705 639 2HD LYS 81 HD1 LYS 81 6.801 13.874 23.511 640 1HE LYS 81 HE2 LYS 81 8.539 12.581 22.216 641 2HE LYS 81 HE1 LYS 81 8.424 11.281 23.406 642 1HZ LYS 81 HZ1 LYS 81 6.476 10.572 22.372 643 2HZ LYS 81 HZ2 LYS 81 6.595 11.825 21.254 644 3HZ LYS 81 HZ3 LYS 81 5.848 12.103 22.691 645 H LYS 82 HN LYS 82 12.344 14.356 24.676 646 HA LYS 82 HA LYS 82 12.202 13.649 27.464 647 1HB LYS 82 HB2 LYS 82 14.340 13.617 25.307 648 2HB LYS 82 HB1 LYS 82 14.920 13.592 26.958 649 1HG LYS 82 HG2 LYS 82 14.635 11.363 26.496 650 2HG LYS 82 HG1 LYS 82 13.168 11.829 27.354 651 1HD LYS 82 HD2 LYS 82 12.053 12.108 25.076 652 2HD LYS 82 HD1 LYS 82 13.462 11.321 24.399 653 1HE LYS 82 HE2 LYS 82 13.100 9.435 26.117 654 2HE LYS 82 HE1 LYS 82 11.545 10.174 26.474 655 1HZ LYS 82 HZ1 LYS 82 11.957 9.949 23.660 656 2HZ LYS 82 HZ2 LYS 82 10.702 9.248 24.571 657 3HZ LYS 82 HZ3 LYS 82 12.200 8.495 24.268 658 H LYS 83 HN LYS 83 14.074 16.074 25.797 659 HA LYS 83 HA LYS 83 15.338 17.467 27.767 660 1HB LYS 83 HB2 LYS 83 15.461 17.596 25.251 661 2HB LYS 83 HB1 LYS 83 14.021 18.539 25.278 662 1HG LYS 83 HG2 LYS 83 15.098 20.319 26.628 663 2HG LYS 83 HG1 LYS 83 16.619 19.439 26.522 664 1HD LYS 83 HD2 LYS 83 16.487 19.449 24.043 665 2HD LYS 83 HD1 LYS 83 14.927 20.245 24.093 666 1HE LYS 83 HE2 LYS 83 16.034 22.242 25.160 667 2HE LYS 83 HE1 LYS 83 17.592 21.437 24.954 668 1HZ LYS 83 HZ1 LYS 83 16.153 21.217 22.528 669 2HZ LYS 83 HZ2 LYS 83 17.552 22.071 22.704 670 3HZ LYS 83 HZ3 LYS 83 16.049 22.812 22.950 671 H TYR 84 HN TYR 84 12.381 18.342 26.401 672 HA TYR 84 HA TYR 84 11.810 20.431 28.423 673 1HB TYR 84 HB2 TYR 84 10.091 19.235 26.161 674 2HB TYR 84 HB1 TYR 84 9.576 20.581 27.167 675 HD1 TYR 84 HD1 TYR 84 10.750 20.006 23.988 676 HD2 TYR 84 HD2 TYR 84 11.756 22.353 27.426 677 HE1 TYR 84 HE1 TYR 84 11.860 21.635 22.586 678 HE2 TYR 84 HE2 TYR 84 12.905 23.960 25.945 679 HH TYR 84 HH TYR 84 13.664 23.341 22.775 680 H GLY 85 HN GLY 85 9.824 17.407 27.457 681 1HA GLY 85 HA2 GLY 85 9.894 15.934 29.518 682 2HA GLY 85 HA1 GLY 85 9.137 17.308 30.297 683 H ILE 86 HN ILE 86 7.166 18.164 28.686 684 HA ILE 86 HA ILE 86 5.792 16.112 27.343 685 HB ILE 86 HB ILE 86 5.596 15.353 29.714 686 1HG1 ILE 86 HG12 ILE 86 2.857 16.361 28.801 687 2HG1 ILE 86 HG11 ILE 86 3.678 15.030 28.025 688 1HG2 ILE 86 HG21 ILE 86 4.107 17.948 30.305 689 2HG2 ILE 86 HG22 ILE 86 5.713 17.520 30.873 690 3HG2 ILE 86 HG23 ILE 86 4.314 16.632 31.436 691 1HD1 ILE 86 HD1 ILE 86 3.689 13.764 30.197 692 2HD1 ILE 86 HD2 ILE 86 2.049 14.175 29.723 693 3HD1 ILE 86 HD3 ILE 86 2.854 15.097 30.978
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