NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | cing | stage | position | program | type |
5991 | 1iba | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H MET 15 H MET 15 -0.877 7.805 11.991 2 HA MET 15 HA MET 15 -0.277 9.164 9.431 3 1HB MET 15 HB2 MET 15 1.494 6.871 10.454 4 2HB MET 15 HB1 MET 15 1.881 8.221 9.347 5 1HG MET 15 HG2 MET 15 1.464 9.793 11.424 6 2HG MET 15 HG1 MET 15 1.474 8.289 12.406 7 1HE MET 15 HE2 MET 15 3.216 10.016 13.545 8 2HE MET 15 HE3 MET 15 3.736 8.325 13.859 9 3HE MET 15 HE1 MET 15 4.944 9.564 13.383 10 H ALA 16 H ALA 16 -1.039 5.841 10.803 11 HA ALA 16 HA ALA 16 -1.063 4.455 8.455 12 1HB ALA 16 HB1 ALA 16 -1.526 3.454 10.679 13 2HB ALA 16 HB2 ALA 16 -3.202 4.068 10.615 14 3HB ALA 16 HB3 ALA 16 -2.626 2.907 9.384 15 HA PRO 17 HA PRO 17 -5.360 5.855 7.087 16 1HB PRO 17 HB2 PRO 17 -6.485 8.226 7.973 17 2HB PRO 17 HB1 PRO 17 -6.665 6.664 8.829 18 1HG PRO 17 HG1 PRO 17 -4.819 8.922 9.570 19 2HG PRO 17 HG2 PRO 17 -5.802 7.873 10.646 20 1HD PRO 17 HD1 PRO 17 -3.071 7.525 10.123 21 2HD PRO 17 HD2 PRO 17 -4.132 6.174 10.656 22 H ALA 18 H ALA 18 -2.660 8.151 7.535 23 HA ALA 18 HA ALA 18 -3.153 9.107 4.734 24 1HB ALA 18 HB1 ALA 18 -2.554 10.785 6.511 25 2HB ALA 18 HB2 ALA 18 -1.006 9.914 6.772 26 3HB ALA 18 HB3 ALA 18 -1.332 10.712 5.201 27 H LEU 19 H LEU 19 -1.533 6.388 6.273 28 HA LEU 19 HA LEU 19 0.912 6.756 4.779 29 1HB LEU 19 HB2 LEU 19 0.593 5.460 7.035 30 2HB LEU 19 HB1 LEU 19 0.198 4.078 5.986 31 HG LEU 19 HG LEU 19 2.500 3.869 6.510 32 1HD1 LEU 19 HD12 LEU 19 2.042 3.665 4.071 33 2HD1 LEU 19 HD13 LEU 19 2.581 5.352 3.796 34 3HD1 LEU 19 HD11 LEU 19 3.729 4.150 4.415 35 1HD2 LEU 19 HD23 LEU 19 2.928 6.096 7.548 36 2HD2 LEU 19 HD21 LEU 19 4.231 5.619 6.433 37 3HD2 LEU 19 HD22 LEU 19 3.029 6.835 5.920 38 H VAL 20 H VAL 20 -1.672 4.035 4.576 39 HA VAL 20 HA VAL 20 -1.216 3.217 2.072 40 HB VAL 20 HB VAL 20 -3.066 2.293 3.262 41 1HG1 VAL 20 HG13 VAL 20 -4.576 4.957 2.743 42 2HG1 VAL 20 HG11 VAL 20 -5.292 3.458 3.341 43 3HG1 VAL 20 HG12 VAL 20 -4.067 4.319 4.334 44 1HG2 VAL 20 HG23 VAL 20 -3.039 2.117 0.705 45 2HG2 VAL 20 HG21 VAL 20 -4.667 1.971 1.423 46 3HG2 VAL 20 HG22 VAL 20 -4.176 3.499 0.649 47 H ALA 21 H ALA 21 -2.674 6.472 2.839 48 HA ALA 21 HA ALA 21 -3.433 6.931 0.167 49 1HB ALA 21 HB1 ALA 21 -4.323 8.327 2.031 50 2HB ALA 21 HB2 ALA 21 -2.700 9.063 2.238 51 3HB ALA 21 HB3 ALA 21 -3.619 9.331 0.725 52 H ALA 22 H ALA 22 -0.385 7.601 2.006 53 HA ALA 22 HA ALA 22 0.967 9.200 0.291 54 1HB ALA 22 HB1 ALA 22 1.884 8.360 2.503 55 2HB ALA 22 HB2 ALA 22 2.247 6.799 1.707 56 3HB ALA 22 HB3 ALA 22 3.077 8.290 1.179 57 H PHE 23 H PHE 23 0.168 5.848 -0.608 58 HA PHE 23 HA PHE 23 1.788 6.263 -3.080 59 1HB PHE 23 HB2 PHE 23 3.051 4.916 -1.336 60 2HB PHE 23 HB1 PHE 23 1.811 3.627 -1.652 61 HD1 PHE 23 HD1 PHE 23 3.528 5.774 -4.341 62 HD2 PHE 23 HD2 PHE 23 3.369 1.973 -2.266 63 HE1 PHE 23 HE1 PHE 23 5.383 4.913 -5.674 64 HE2 PHE 23 HE2 PHE 23 4.919 1.035 -3.906 65 HZ PHE 23 HZ PHE 23 5.774 2.453 -5.788 66 H GLY 24 H GLY 24 -0.626 3.891 -1.515 67 1HA GLY 24 HA2 GLY 24 -1.820 3.299 -4.047 68 2HA GLY 24 HA1 GLY 24 -2.565 3.054 -2.444 69 H GLY 25 H GLY 25 -2.272 6.062 -1.748 70 1HA GLY 25 HA2 GLY 25 -4.748 6.885 -3.174 71 2HA GLY 25 HA1 GLY 25 -3.968 7.767 -1.856 72 H LYS 26 H LYS 26 -1.519 6.933 -4.155 73 HA LYS 26 HA LYS 26 -1.593 9.734 -5.179 74 1HB LYS 26 HB2 LYS 26 0.402 7.480 -5.608 75 2HB LYS 26 HB1 LYS 26 0.620 9.197 -6.088 76 1HG LYS 26 HG2 LYS 26 0.405 8.049 -3.244 77 2HG LYS 26 HG1 LYS 26 1.923 8.440 -4.103 78 1HD LYS 26 HD2 LYS 26 0.266 10.839 -4.061 79 2HD LYS 26 HD1 LYS 26 0.188 10.125 -2.442 80 1HE LYS 26 HE2 LYS 26 2.980 10.034 -2.896 81 2HE LYS 26 HE1 LYS 26 2.497 11.490 -3.781 82 1HZ LYS 26 HZ2 LYS 26 1.249 12.131 -1.598 83 2HZ LYS 26 HZ3 LYS 26 2.136 10.815 -0.861 84 3HZ LYS 26 HZ1 LYS 26 2.963 12.162 -1.513 85 H GLU 27 H GLU 27 -3.796 9.095 -6.248 86 HA GLU 27 HA GLU 27 -3.935 6.820 -7.894 87 1HB GLU 27 HB2 GLU 27 -6.020 7.515 -8.643 88 2HB GLU 27 HB1 GLU 27 -5.867 8.504 -7.172 89 1HG GLU 27 HG2 GLU 27 -4.982 10.405 -8.718 90 2HG GLU 27 HG1 GLU 27 -5.392 9.357 -10.109 91 H ASN 28 H ASN 28 -2.485 10.029 -8.537 92 HA ASN 28 HA ASN 28 -2.216 10.080 -11.257 93 1HB ASN 28 HB2 ASN 28 -1.179 11.770 -9.743 94 2HB ASN 28 HB1 ASN 28 -0.060 10.539 -9.098 95 1HD2 ASN 28 HD21 ASN 28 0.582 11.960 -12.983 96 2HD2 ASN 28 HD22 ASN 28 -1.044 11.857 -12.410 97 H ILE 29 H ILE 29 -0.666 7.707 -9.077 98 HA ILE 29 HA ILE 29 1.460 6.780 -10.320 99 HB ILE 29 HB ILE 29 -0.946 5.364 -9.147 100 1HG1 ILE 29 HG12 ILE 29 0.192 5.321 -7.179 101 2HG1 ILE 29 HG11 ILE 29 1.591 4.558 -7.909 102 1HG2 ILE 29 HG23 ILE 29 1.246 3.726 -10.440 103 2HG2 ILE 29 HG21 ILE 29 0.146 3.111 -9.208 104 3HG2 ILE 29 HG22 ILE 29 -0.491 3.698 -10.771 105 1HD1 ILE 29 HD13 ILE 29 1.226 7.586 -7.812 106 2HD1 ILE 29 HD11 ILE 29 2.224 6.577 -6.718 107 3HD1 ILE 29 HD12 ILE 29 2.674 6.778 -8.400 108 H THR 30 H THR 30 2.280 5.732 -12.159 109 HA THR 30 HA THR 30 0.542 5.848 -14.447 110 HB THR 30 HB THR 30 2.958 6.476 -14.573 111 HG1 THR 30 HG1 THR 30 1.789 5.849 -16.517 112 1HG2 THR 30 HG21 THR 30 3.522 3.442 -14.510 113 2HG2 THR 30 HG22 THR 30 4.665 4.742 -14.945 114 3HG2 THR 30 HG23 THR 30 4.062 4.629 -13.280 115 H ASN 31 H ASN 31 1.989 3.053 -12.531 116 HA ASN 31 HA ASN 31 -0.073 1.343 -13.876 117 1HB ASN 31 HB2 ASN 31 2.922 0.934 -13.537 118 2HB ASN 31 HB1 ASN 31 1.835 -0.477 -13.612 119 1HD2 ASN 31 HD21 ASN 31 0.905 0.037 -17.080 120 2HD2 ASN 31 HD22 ASN 31 0.260 -0.522 -15.581 121 H LEU 32 H LEU 32 -1.141 -0.155 -12.499 122 HA LEU 32 HA LEU 32 -0.013 -0.626 -9.825 123 1HB LEU 32 HB2 LEU 32 -1.606 1.566 -10.099 124 2HB LEU 32 HB1 LEU 32 -2.912 0.381 -9.951 125 HG LEU 32 HG LEU 32 -0.639 0.740 -7.909 126 1HD1 LEU 32 HD12 LEU 32 -1.905 2.883 -8.023 127 2HD1 LEU 32 HD13 LEU 32 -3.437 2.012 -7.780 128 3HD1 LEU 32 HD11 LEU 32 -2.203 2.036 -6.488 129 1HD2 LEU 32 HD23 LEU 32 -2.059 -1.467 -7.905 130 2HD2 LEU 32 HD21 LEU 32 -2.014 -0.561 -6.362 131 3HD2 LEU 32 HD22 LEU 32 -3.441 -0.460 -7.436 132 H ASP 33 H ASP 33 -0.552 -2.905 -9.296 133 HA ASP 33 HA ASP 33 -2.541 -4.177 -11.168 134 1HB ASP 33 HB2 ASP 33 -0.192 -5.514 -9.771 135 2HB ASP 33 HB1 ASP 33 -1.346 -6.284 -10.850 136 H ALA 34 H ALA 34 -4.021 -3.132 -9.313 137 HA ALA 34 HA ALA 34 -3.972 -4.305 -6.740 138 1HB ALA 34 HB1 ALA 34 -5.336 -2.317 -7.229 139 2HB ALA 34 HB2 ALA 34 -6.413 -3.296 -8.274 140 3HB ALA 34 HB3 ALA 34 -6.338 -3.616 -6.511 141 H CYS 35 H CYS 35 -5.014 -6.265 -5.838 142 HA CYS 35 HA CYS 35 -6.741 -7.833 -7.584 143 1HB CYS 35 HB2 CYS 35 -4.164 -8.257 -8.316 144 2HB CYS 35 HB1 CYS 35 -4.165 -9.245 -6.813 145 H ILE 36 H ILE 36 -7.271 -10.056 -6.492 146 HA ILE 36 HA ILE 36 -8.552 -9.787 -4.301 147 HB ILE 36 HB ILE 36 -8.348 -12.074 -3.565 148 1HG1 ILE 36 HG12 ILE 36 -6.065 -12.775 -3.671 149 2HG1 ILE 36 HG11 ILE 36 -6.970 -13.789 -4.771 150 1HG2 ILE 36 HG22 ILE 36 -9.748 -11.471 -5.574 151 2HG2 ILE 36 HG23 ILE 36 -8.442 -12.050 -6.644 152 3HG2 ILE 36 HG21 ILE 36 -9.232 -13.173 -5.521 153 1HD1 ILE 36 HD13 ILE 36 -5.247 -11.422 -5.782 154 2HD1 ILE 36 HD11 ILE 36 -4.742 -13.119 -5.670 155 3HD1 ILE 36 HD12 ILE 36 -6.080 -12.655 -6.758 156 H THR 37 H THR 37 -5.030 -10.788 -3.637 157 HA THR 37 HA THR 37 -5.246 -9.024 -1.282 158 HB THR 37 HB THR 37 -5.934 -11.422 -0.707 159 HG1 THR 37 HG1 THR 37 -4.733 -11.222 1.221 160 1HG2 THR 37 HG21 THR 37 -2.936 -12.016 -1.249 161 2HG2 THR 37 HG22 THR 37 -4.039 -13.044 -0.307 162 3HG2 THR 37 HG23 THR 37 -4.341 -12.775 -2.043 163 H ARG 38 H ARG 38 -4.088 -8.664 -3.964 164 HA ARG 38 HA ARG 38 -1.287 -8.339 -3.151 165 1HB ARG 38 HB2 ARG 38 -1.117 -10.467 -4.146 166 2HB ARG 38 HB1 ARG 38 -2.341 -10.131 -5.373 167 1HG ARG 38 HG2 ARG 38 0.286 -8.553 -5.377 168 2HG ARG 38 HG1 ARG 38 0.260 -10.218 -5.996 169 1HD ARG 38 HD2 ARG 38 -1.948 -8.832 -7.354 170 2HD ARG 38 HD1 ARG 38 -0.583 -7.772 -7.345 171 HE ARG 38 HE ARG 38 0.628 -9.155 -8.742 172 1HH1 ARG 38 HH12 ARG 38 -2.233 -11.010 -7.545 173 2HH1 ARG 38 HH11 ARG 38 -1.943 -12.309 -8.680 174 1HH2 ARG 38 HH22 ARG 38 0.929 -10.901 -10.112 175 2HH2 ARG 38 HH21 ARG 38 -0.185 -12.262 -10.096 176 H LEU 39 H LEU 39 -0.724 -6.179 -3.636 177 HA LEU 39 HA LEU 39 -1.955 -5.119 -6.115 178 1HB LEU 39 HB2 LEU 39 -2.482 -2.968 -5.095 179 2HB LEU 39 HB1 LEU 39 -3.278 -4.316 -4.272 180 HG LEU 39 HG LEU 39 -1.159 -4.065 -2.579 181 1HD1 LEU 39 HD12 LEU 39 -0.271 -2.044 -3.956 182 2HD1 LEU 39 HD13 LEU 39 -1.722 -1.154 -3.458 183 3HD1 LEU 39 HD11 LEU 39 -0.559 -1.704 -2.219 184 1HD2 LEU 39 HD22 LEU 39 -3.697 -2.296 -2.465 185 2HD2 LEU 39 HD23 LEU 39 -3.576 -3.964 -1.876 186 3HD2 LEU 39 HD21 LEU 39 -2.631 -2.690 -1.088 187 H ARG 40 H ARG 40 -0.624 -3.053 -6.858 188 HA ARG 40 HA ARG 40 2.213 -3.421 -6.228 189 1HB ARG 40 HB2 ARG 40 1.405 -3.969 -9.132 190 2HB ARG 40 HB1 ARG 40 3.049 -3.937 -8.531 191 1HG ARG 40 HG2 ARG 40 2.557 -5.997 -7.130 192 2HG ARG 40 HG1 ARG 40 0.944 -6.055 -7.816 193 1HD ARG 40 HD2 ARG 40 1.902 -6.554 -10.005 194 2HD ARG 40 HD1 ARG 40 3.560 -6.150 -9.481 195 HE ARG 40 HE ARG 40 2.826 -8.184 -7.720 196 1HH1 ARG 40 HH12 ARG 40 3.120 -7.910 -11.293 197 2HH1 ARG 40 HH11 ARG 40 3.488 -9.621 -11.460 198 1HH2 ARG 40 HH22 ARG 40 3.368 -10.335 -8.018 199 2HH2 ARG 40 HH21 ARG 40 3.649 -10.969 -9.641 200 H VAL 41 H VAL 41 3.592 -1.643 -7.406 201 HA VAL 41 HA VAL 41 1.773 0.561 -8.260 202 HB VAL 41 HB VAL 41 3.643 0.745 -5.877 203 1HG1 VAL 41 HG12 VAL 41 2.991 2.932 -6.983 204 2HG1 VAL 41 HG13 VAL 41 1.260 2.475 -6.825 205 3HG1 VAL 41 HG11 VAL 41 2.214 2.854 -5.383 206 1HG2 VAL 41 HG22 VAL 41 0.643 0.207 -5.614 207 2HG2 VAL 41 HG23 VAL 41 1.972 -0.866 -5.073 208 3HG2 VAL 41 HG21 VAL 41 1.729 0.701 -4.294 209 H SER 42 H SER 42 3.103 -0.108 -10.246 210 HA SER 42 HA SER 42 5.992 0.313 -10.028 211 1HB SER 42 HB2 SER 42 5.417 -1.469 -11.497 212 2HB SER 42 HB1 SER 42 4.117 -0.559 -12.278 213 HG SER 42 HG SER 42 6.015 -0.564 -13.634 214 H VAL 43 H VAL 43 6.591 2.478 -9.553 215 HA VAL 43 HA VAL 43 6.017 4.376 -11.766 216 HB VAL 43 HB VAL 43 5.076 6.009 -10.213 217 1HG1 VAL 43 HG12 VAL 43 3.558 4.097 -11.071 218 2HG1 VAL 43 HG13 VAL 43 3.701 3.346 -9.464 219 3HG1 VAL 43 HG11 VAL 43 3.008 4.972 -9.660 220 1HG2 VAL 43 HG23 VAL 43 6.485 5.446 -8.127 221 2HG2 VAL 43 HG21 VAL 43 4.742 5.599 -7.819 222 3HG2 VAL 43 HG22 VAL 43 5.503 3.984 -7.926 223 H ALA 44 H ALA 44 7.062 6.650 -11.258 224 HA ALA 44 HA ALA 44 9.722 6.186 -9.962 225 1HB ALA 44 HB1 ALA 44 9.743 6.813 -12.389 226 2HB ALA 44 HB2 ALA 44 8.874 8.326 -11.993 227 3HB ALA 44 HB3 ALA 44 10.519 8.045 -11.354 228 H ASP 45 H ASP 45 6.687 7.593 -9.016 229 HA ASP 45 HA ASP 45 7.865 9.918 -7.705 230 1HB ASP 45 HB2 ASP 45 5.278 8.428 -7.054 231 2HB ASP 45 HB1 ASP 45 5.781 10.009 -6.402 232 H VAL 46 H VAL 46 9.827 8.190 -7.099 233 HA VAL 46 HA VAL 46 9.202 7.259 -4.329 234 HB VAL 46 HB VAL 46 9.859 5.294 -5.267 235 1HG1 VAL 46 HG13 VAL 46 11.878 6.759 -7.062 236 2HG1 VAL 46 HG11 VAL 46 11.711 4.983 -6.948 237 3HG1 VAL 46 HG12 VAL 46 10.353 5.944 -7.558 238 1HG2 VAL 46 HG23 VAL 46 11.423 5.774 -3.344 239 2HG2 VAL 46 HG21 VAL 46 12.128 4.696 -4.564 240 3HG2 VAL 46 HG22 VAL 46 12.626 6.408 -4.519 241 H SER 47 H SER 47 10.403 10.021 -5.855 242 HA SER 47 HA SER 47 12.658 10.813 -4.658 243 1HB SER 47 HB2 SER 47 11.222 12.380 -5.898 244 2HB SER 47 HB1 SER 47 9.943 12.259 -4.647 245 HG SER 47 HG SER 47 11.302 14.161 -4.343 246 H LYS 48 H LYS 48 9.514 10.475 -2.876 247 HA LYS 48 HA LYS 48 11.057 10.094 -0.379 248 1HB LYS 48 HB2 LYS 48 10.235 11.971 0.836 249 2HB LYS 48 HB1 LYS 48 10.723 12.624 -0.745 250 1HG LYS 48 HG2 LYS 48 7.887 12.223 0.381 251 2HG LYS 48 HG1 LYS 48 8.652 13.713 -0.202 252 1HD LYS 48 HD2 LYS 48 8.647 12.682 -2.567 253 2HD LYS 48 HD1 LYS 48 7.696 11.332 -1.853 254 1HE LYS 48 HE2 LYS 48 6.183 13.520 -1.042 255 2HE LYS 48 HE1 LYS 48 6.784 14.062 -2.630 256 1HZ LYS 48 HZ2 LYS 48 5.971 11.843 -3.570 257 2HZ LYS 48 HZ3 LYS 48 5.275 11.508 -2.011 258 3HZ LYS 48 HZ1 LYS 48 4.722 12.872 -2.967 259 H VAL 49 H VAL 49 9.177 8.425 -2.019 260 HA VAL 49 HA VAL 49 6.648 8.435 -0.779 261 HB VAL 49 HB VAL 49 7.203 7.319 -2.941 262 1HG1 VAL 49 HG12 VAL 49 9.394 6.194 -2.219 263 2HG1 VAL 49 HG13 VAL 49 8.453 5.069 -1.268 264 3HG1 VAL 49 HG11 VAL 49 8.271 5.091 -3.046 265 1HG2 VAL 49 HG22 VAL 49 5.834 5.443 -0.900 266 2HG2 VAL 49 HG23 VAL 49 5.055 6.711 -1.895 267 3HG2 VAL 49 HG21 VAL 49 5.788 5.274 -2.661 268 H ASP 50 H ASP 50 5.730 7.014 0.946 269 HA ASP 50 HA ASP 50 7.839 5.889 2.780 270 1HB ASP 50 HB2 ASP 50 4.891 6.616 3.222 271 2HB ASP 50 HB1 ASP 50 5.923 5.759 4.403 272 H GLN 51 H GLN 51 7.986 4.178 0.785 273 HA GLN 51 HA GLN 51 5.789 2.260 0.697 274 1HB GLN 51 HB2 GLN 51 8.743 1.807 0.044 275 2HB GLN 51 HB1 GLN 51 7.447 0.639 -0.258 276 1HG GLN 51 HG2 GLN 51 6.599 1.720 -2.118 277 2HG GLN 51 HG1 GLN 51 6.942 3.330 -1.498 278 1HE2 GLN 51 HE21 GLN 51 9.281 2.502 -4.409 279 2HE2 GLN 51 HE22 GLN 51 7.577 2.342 -4.246 280 H ALA 52 H ALA 52 9.069 2.539 2.318 281 HA ALA 52 HA ALA 52 9.180 0.152 3.637 282 1HB ALA 52 HB1 ALA 52 10.971 1.902 3.798 283 2HB ALA 52 HB2 ALA 52 9.898 2.924 4.805 284 3HB ALA 52 HB3 ALA 52 10.489 1.349 5.430 285 H GLY 53 H GLY 53 7.084 2.997 4.532 286 1HA GLY 53 HA2 GLY 53 5.993 1.505 6.853 287 2HA GLY 53 HA1 GLY 53 5.429 3.077 6.231 288 H LEU 54 H LEU 54 5.015 2.377 3.437 289 HA LEU 54 HA LEU 54 2.365 1.430 3.838 290 1HB LEU 54 HB2 LEU 54 3.498 2.850 1.841 291 2HB LEU 54 HB1 LEU 54 3.517 1.308 1.000 292 HG LEU 54 HG LEU 54 0.835 1.972 2.264 293 1HD1 LEU 54 HD13 LEU 54 2.142 4.059 0.495 294 2HD1 LEU 54 HD11 LEU 54 0.382 3.866 0.581 295 3HD1 LEU 54 HD12 LEU 54 1.358 4.223 2.005 296 1HD2 LEU 54 HD22 LEU 54 1.603 1.396 -0.652 297 2HD2 LEU 54 HD23 LEU 54 1.027 0.183 0.526 298 3HD2 LEU 54 HD21 LEU 54 -0.056 1.500 0.002 299 H LYS 55 H LYS 55 5.200 -0.408 3.602 300 HA LYS 55 HA LYS 55 3.849 -2.607 2.235 301 1HB LYS 55 HB2 LYS 55 6.153 -3.658 2.222 302 2HB LYS 55 HB1 LYS 55 6.103 -1.958 1.607 303 1HG LYS 55 HG2 LYS 55 8.133 -2.213 2.629 304 2HG LYS 55 HG1 LYS 55 7.224 -1.229 3.730 305 1HD LYS 55 HD2 LYS 55 7.601 -2.663 5.452 306 2HD LYS 55 HD1 LYS 55 6.901 -4.036 4.545 307 1HE LYS 55 HE2 LYS 55 9.789 -2.981 4.173 308 2HE LYS 55 HE1 LYS 55 9.354 -4.276 5.314 309 1HZ LYS 55 HZ3 LYS 55 8.829 -4.450 2.325 310 2HZ LYS 55 HZ1 LYS 55 10.168 -5.176 3.160 311 3HZ LYS 55 HZ2 LYS 55 8.546 -5.680 3.515 312 H LYS 56 H LYS 56 5.247 -1.982 5.388 313 HA LYS 56 HA LYS 56 4.058 -4.520 6.414 314 1HB LYS 56 HB2 LYS 56 5.180 -4.028 8.505 315 2HB LYS 56 HB1 LYS 56 6.318 -3.921 7.144 316 1HG LYS 56 HG2 LYS 56 6.031 -1.318 7.246 317 2HG LYS 56 HG1 LYS 56 5.021 -1.571 8.677 318 1HD LYS 56 HD2 LYS 56 7.985 -2.437 8.307 319 2HD LYS 56 HD1 LYS 56 7.441 -0.911 9.051 320 1HE LYS 56 HE2 LYS 56 6.090 -2.378 10.742 321 2HE LYS 56 HE1 LYS 56 7.053 -3.757 10.137 322 1HZ LYS 56 HZ2 LYS 56 9.121 -2.481 10.727 323 2HZ LYS 56 HZ3 LYS 56 8.139 -1.186 11.358 324 3HZ LYS 56 HZ1 LYS 56 8.101 -2.743 12.118 325 H LEU 57 H LEU 57 3.099 -1.144 6.048 326 HA LEU 57 HA LEU 57 1.021 -1.527 8.157 327 1HB LEU 57 HB2 LEU 57 2.843 0.452 8.018 328 2HB LEU 57 HB1 LEU 57 1.689 1.136 6.844 329 HG LEU 57 HG LEU 57 1.351 0.501 9.839 330 1HD1 LEU 57 HD12 LEU 57 2.402 2.703 9.106 331 2HD1 LEU 57 HD13 LEU 57 0.911 3.083 8.200 332 3HD1 LEU 57 HD11 LEU 57 0.865 2.972 9.977 333 1HD2 LEU 57 HD22 LEU 57 -0.923 1.288 7.929 334 2HD2 LEU 57 HD23 LEU 57 -0.806 -0.243 8.880 335 3HD2 LEU 57 HD21 LEU 57 -0.995 1.277 9.726 336 H GLY 58 H GLY 58 1.477 -0.529 4.648 337 1HA GLY 58 HA2 GLY 58 -1.432 -0.086 4.346 338 2HA GLY 58 HA1 GLY 58 -0.194 0.043 3.084 339 H ALA 59 H ALA 59 1.212 -2.284 3.041 340 HA ALA 59 HA ALA 59 -0.905 -4.322 2.527 341 1HB ALA 59 HB1 ALA 59 0.344 -3.240 0.532 342 2HB ALA 59 HB2 ALA 59 1.830 -4.031 1.138 343 3HB ALA 59 HB3 ALA 59 0.447 -5.013 0.572 344 H ALA 60 H ALA 60 1.116 -6.499 2.239 345 HA ALA 60 HA ALA 60 2.050 -6.655 5.099 346 1HB ALA 60 HB1 ALA 60 -0.113 -8.002 4.715 347 2HB ALA 60 HB2 ALA 60 0.772 -8.957 3.479 348 3HB ALA 60 HB3 ALA 60 1.326 -8.969 5.160 349 H GLY 61 H GLY 61 3.642 -5.804 2.796 350 1HA GLY 61 HA2 GLY 61 5.992 -6.869 2.837 351 2HA GLY 61 HA1 GLY 61 5.192 -8.298 2.147 352 H VAL 62 H VAL 62 6.874 -5.580 1.107 353 HA VAL 62 HA VAL 62 5.636 -5.929 -1.571 354 HB VAL 62 HB VAL 62 5.532 -3.524 -2.046 355 1HG1 VAL 62 HG13 VAL 62 4.544 -4.034 0.725 356 2HG1 VAL 62 HG11 VAL 62 4.462 -2.377 -0.004 357 3HG1 VAL 62 HG12 VAL 62 3.609 -3.729 -0.679 358 1HG2 VAL 62 HG22 VAL 62 7.540 -3.135 0.194 359 2HG2 VAL 62 HG23 VAL 62 7.764 -2.919 -1.551 360 3HG2 VAL 62 HG21 VAL 62 6.718 -1.793 -0.684 361 H VAL 63 H VAL 63 7.302 -4.909 -3.228 362 HA VAL 63 HA VAL 63 10.053 -5.317 -2.216 363 HB VAL 63 HB VAL 63 10.120 -7.488 -2.921 364 1HG1 VAL 63 HG13 VAL 63 7.479 -7.055 -4.421 365 2HG1 VAL 63 HG11 VAL 63 8.338 -8.609 -4.331 366 3HG1 VAL 63 HG12 VAL 63 7.741 -7.829 -2.845 367 1HG2 VAL 63 HG22 VAL 63 9.868 -6.267 -5.730 368 2HG2 VAL 63 HG23 VAL 63 11.359 -6.446 -4.761 369 3HG2 VAL 63 HG21 VAL 63 10.488 -7.894 -5.349 370 H VAL 64 H VAL 64 11.568 -4.036 -3.454 371 HA VAL 64 HA VAL 64 10.144 -2.219 -5.365 372 HB VAL 64 HB VAL 64 12.550 -1.524 -3.632 373 1HG1 VAL 64 HG12 VAL 64 12.125 -0.126 -5.700 374 2HG1 VAL 64 HG13 VAL 64 10.480 0.243 -5.100 375 3HG1 VAL 64 HG11 VAL 64 11.903 0.829 -4.204 376 1HG2 VAL 64 HG23 VAL 64 10.658 -2.055 -2.082 377 2HG2 VAL 64 HG21 VAL 64 11.002 -0.306 -2.094 378 3HG2 VAL 64 HG22 VAL 64 9.589 -0.936 -2.971 379 H ALA 65 H ALA 65 11.020 -2.182 -7.481 380 HA ALA 65 HA ALA 65 13.760 -3.363 -7.836 381 1HB ALA 65 HB2 ALA 65 11.132 -4.280 -9.172 382 2HB ALA 65 HB3 ALA 65 12.772 -4.832 -9.628 383 3HB ALA 65 HB1 ALA 65 12.109 -5.223 -8.014 384 H GLY 66 H GLY 66 14.409 -1.084 -8.348 385 1HA GLY 66 HA2 GLY 66 13.366 0.870 -9.692 386 2HA GLY 66 HA1 GLY 66 14.970 0.307 -10.203 387 H SER 67 H SER 67 11.768 0.887 -11.367 388 HA SER 67 HA SER 67 11.445 0.492 -13.803 389 1HB SER 67 HB2 SER 67 11.330 -1.857 -14.621 390 2HB SER 67 HB1 SER 67 12.996 -1.357 -14.283 391 HG SER 67 HG SER 67 11.380 -3.007 -12.545 392 H GLY 68 H GLY 68 10.621 -1.264 -10.753 393 1HA GLY 68 HA2 GLY 68 7.899 -0.477 -11.067 394 2HA GLY 68 HA1 GLY 68 8.100 -2.215 -11.449 395 H VAL 69 H VAL 69 6.496 -1.782 -9.306 396 HA VAL 69 HA VAL 69 8.202 -2.525 -6.981 397 HB VAL 69 HB VAL 69 5.957 -0.441 -6.774 398 1HG1 VAL 69 HG13 VAL 69 8.125 -1.318 -4.765 399 2HG1 VAL 69 HG11 VAL 69 6.955 -0.038 -4.479 400 3HG1 VAL 69 HG12 VAL 69 6.397 -1.712 -4.684 401 1HG2 VAL 69 HG22 VAL 69 8.978 0.047 -7.006 402 2HG2 VAL 69 HG23 VAL 69 7.680 0.640 -8.088 403 3HG2 VAL 69 HG21 VAL 69 7.824 1.283 -6.439 404 H GLN 70 H GLN 70 6.962 -4.054 -5.565 405 HA GLN 70 HA GLN 70 4.258 -4.616 -6.658 406 1HB GLN 70 HB2 GLN 70 5.449 -7.065 -5.672 407 2HB GLN 70 HB1 GLN 70 4.800 -6.802 -7.297 408 1HG GLN 70 HG2 GLN 70 6.912 -5.857 -8.082 409 2HG GLN 70 HG1 GLN 70 7.673 -6.070 -6.502 410 1HE2 GLN 70 HE21 GLN 70 7.337 -9.887 -7.307 411 2HE2 GLN 70 HE22 GLN 70 6.333 -9.020 -6.239 412 H ALA 71 H ALA 71 2.649 -5.341 -5.039 413 HA ALA 71 HA ALA 71 3.688 -5.164 -2.322 414 1HB ALA 71 HB2 ALA 71 1.239 -3.728 -3.562 415 2HB ALA 71 HB3 ALA 71 1.536 -3.758 -1.816 416 3HB ALA 71 HB1 ALA 71 2.689 -2.923 -2.923 417 H ILE 72 H ILE 72 2.542 -6.452 -0.700 418 HA ILE 72 HA ILE 72 0.535 -8.215 -1.938 419 HB ILE 72 HB ILE 72 3.328 -9.077 -1.224 420 1HG1 ILE 72 HG12 ILE 72 2.479 -10.850 -3.142 421 2HG1 ILE 72 HG11 ILE 72 1.344 -9.570 -3.508 422 1HG2 ILE 72 HG23 ILE 72 0.831 -10.832 -0.857 423 2HG2 ILE 72 HG21 ILE 72 2.511 -11.437 -0.862 424 3HG2 ILE 72 HG22 ILE 72 2.002 -10.318 0.406 425 1HD1 ILE 72 HD12 ILE 72 3.489 -8.022 -3.798 426 2HD1 ILE 72 HD13 ILE 72 4.408 -9.525 -3.608 427 3HD1 ILE 72 HD11 ILE 72 3.262 -9.341 -4.969 428 H PHE 73 H PHE 73 -1.257 -8.408 -0.618 429 HA PHE 73 HA PHE 73 -0.773 -7.746 2.274 430 1HB PHE 73 HB2 PHE 73 -2.843 -6.689 2.442 431 2HB PHE 73 HB1 PHE 73 -1.818 -5.914 1.220 432 HD1 PHE 73 HD1 PHE 73 -2.217 -6.438 -1.314 433 HD2 PHE 73 HD2 PHE 73 -5.159 -6.858 1.796 434 HE1 PHE 73 HE1 PHE 73 -4.021 -6.344 -2.990 435 HE2 PHE 73 HE2 PHE 73 -6.953 -6.640 0.117 436 HZ PHE 73 HZ PHE 73 -6.398 -6.400 -2.292 437 H GLY 74 H GLY 74 -0.185 -10.286 1.373 438 1HA GLY 74 HA2 GLY 74 -2.596 -11.963 1.699 439 2HA GLY 74 HA1 GLY 74 -0.927 -12.483 1.418 440 H THR 75 H THR 75 -1.654 -14.050 3.218 441 HA THR 75 HA THR 75 -1.316 -14.800 5.371 442 HB THR 75 HB THR 75 0.786 -13.957 6.417 443 HG1 THR 75 HG1 THR 75 1.884 -12.205 5.252 444 1HG2 THR 75 HG21 THR 75 0.965 -14.365 3.358 445 2HG2 THR 75 HG22 THR 75 2.308 -14.565 4.519 446 3HG2 THR 75 HG23 THR 75 0.904 -15.667 4.589 447 H LYS 76 H LYS 76 -0.637 -11.319 5.926 448 HA LYS 76 HA LYS 76 -2.633 -11.375 8.205 449 1HB LYS 76 HB2 LYS 76 -1.327 -9.572 9.252 450 2HB LYS 76 HB1 LYS 76 -0.482 -11.115 9.124 451 1HG LYS 76 HG2 LYS 76 0.789 -10.159 7.074 452 2HG LYS 76 HG1 LYS 76 0.036 -8.601 7.408 453 1HD LYS 76 HD2 LYS 76 2.341 -8.758 8.257 454 2HD LYS 76 HD1 LYS 76 1.233 -8.610 9.651 455 1HE LYS 76 HE2 LYS 76 3.172 -10.314 9.845 456 2HE LYS 76 HE1 LYS 76 1.565 -10.936 10.261 457 1HZ LYS 76 HZ3 LYS 76 2.929 -11.356 7.563 458 2HZ LYS 76 HZ1 LYS 76 2.927 -12.491 8.883 459 3HZ LYS 76 HZ2 LYS 76 1.458 -12.130 8.129 460 H SER 77 H SER 77 -3.774 -11.406 5.901 461 HA SER 77 HA SER 77 -3.881 -8.788 4.620 462 1HB SER 77 HB2 SER 77 -4.366 -11.137 3.575 463 2HB SER 77 HB1 SER 77 -5.961 -11.029 4.351 464 HG SER 77 HG SER 77 -4.953 -9.107 2.465 465 H ASP 78 H ASP 78 -6.063 -10.844 6.760 466 HA ASP 78 HA ASP 78 -8.099 -8.919 7.027 467 1HB ASP 78 HB2 ASP 78 -7.113 -11.017 9.062 468 2HB ASP 78 HB1 ASP 78 -8.647 -10.112 9.192 469 H ASN 79 H ASN 79 -4.956 -9.273 8.861 470 HA ASN 79 HA ASN 79 -5.698 -7.381 10.880 471 1HB ASN 79 HB2 ASN 79 -3.693 -9.005 10.971 472 2HB ASN 79 HB1 ASN 79 -2.853 -7.919 9.854 473 1HD2 ASN 79 HD21 ASN 79 -3.100 -6.937 13.825 474 2HD2 ASN 79 HD22 ASN 79 -3.821 -8.395 13.255 475 H LEU 80 H LEU 80 -3.890 -7.066 7.745 476 HA LEU 80 HA LEU 80 -3.408 -4.213 8.136 477 1HB LEU 80 HB2 LEU 80 -3.121 -6.165 5.775 478 2HB LEU 80 HB1 LEU 80 -3.011 -4.429 5.510 479 HG LEU 80 HG LEU 80 -0.806 -5.777 5.928 480 1HD1 LEU 80 HD12 LEU 80 -0.951 -3.296 5.767 481 2HD1 LEU 80 HD13 LEU 80 -1.333 -3.189 7.517 482 3HD1 LEU 80 HD11 LEU 80 0.258 -3.779 6.978 483 1HD2 LEU 80 HD23 LEU 80 -1.484 -6.902 8.123 484 2HD2 LEU 80 HD21 LEU 80 0.023 -5.971 8.217 485 3HD2 LEU 80 HD22 LEU 80 -1.475 -5.309 8.909 486 H LYS 81 H LYS 81 -5.751 -6.077 6.092 487 HA LYS 81 HA LYS 81 -7.186 -3.848 5.162 488 1HB LYS 81 HB2 LYS 81 -8.104 -6.669 5.914 489 2HB LYS 81 HB1 LYS 81 -9.232 -5.496 5.200 490 1HG LYS 81 HG2 LYS 81 -8.102 -5.385 3.121 491 2HG LYS 81 HG1 LYS 81 -6.567 -5.996 3.772 492 1HD LYS 81 HD2 LYS 81 -7.797 -7.646 2.306 493 2HD LYS 81 HD1 LYS 81 -7.352 -8.262 3.919 494 1HE LYS 81 HE2 LYS 81 -9.585 -8.239 4.726 495 2HE LYS 81 HE1 LYS 81 -10.149 -7.126 3.449 496 1HZ LYS 81 HZ3 LYS 81 -9.139 -9.939 2.877 497 2HZ LYS 81 HZ1 LYS 81 -10.810 -9.549 3.112 498 3HZ LYS 81 HZ2 LYS 81 -9.942 -8.864 1.772 499 H THR 82 H THR 82 -7.415 -5.570 8.392 500 HA THR 82 HA THR 82 -9.695 -4.098 9.284 501 HB THR 82 HB THR 82 -7.396 -5.447 10.792 502 HG1 THR 82 HG1 THR 82 -9.264 -6.676 10.004 503 1HG2 THR 82 HG21 THR 82 -9.573 -3.683 12.042 504 2HG2 THR 82 HG22 THR 82 -8.575 -4.877 12.928 505 3HG2 THR 82 HG23 THR 82 -7.796 -3.461 12.172 506 H GLU 83 H GLU 83 -6.090 -3.333 9.409 507 HA GLU 83 HA GLU 83 -6.513 -0.843 10.711 508 1HB GLU 83 HB2 GLU 83 -4.273 -1.469 8.703 509 2HB GLU 83 HB1 GLU 83 -4.350 -0.084 9.821 510 1HG GLU 83 HG2 GLU 83 -4.073 -3.031 10.651 511 2HG GLU 83 HG1 GLU 83 -2.850 -1.754 10.760 512 H MET 84 H MET 84 -6.625 -1.781 7.145 513 HA MET 84 HA MET 84 -6.978 0.860 6.233 514 1HB MET 84 HB2 MET 84 -8.234 -1.661 5.037 515 2HB MET 84 HB1 MET 84 -8.261 -0.051 4.277 516 1HG MET 84 HG2 MET 84 -5.860 -0.001 3.974 517 2HG MET 84 HG1 MET 84 -5.610 -1.436 5.011 518 1HE MET 84 HE3 MET 84 -7.706 -0.320 1.779 519 2HE MET 84 HE1 MET 84 -7.843 -1.895 0.932 520 3HE MET 84 HE2 MET 84 -8.763 -1.620 2.439 521 H ASP 85 H ASP 85 -9.443 -1.562 7.386 522 HA ASP 85 HA ASP 85 -11.668 -0.011 6.799 523 1HB ASP 85 HB2 ASP 85 -11.710 -2.411 7.645 524 2HB ASP 85 HB1 ASP 85 -11.432 -1.785 9.296 525 H GLU 86 H GLU 86 -9.618 -0.025 9.797 526 HA GLU 86 HA GLU 86 -11.002 1.885 11.258 527 1HB GLU 86 HB2 GLU 86 -8.092 1.054 11.170 528 2HB GLU 86 HB1 GLU 86 -8.344 2.683 11.793 529 1HG GLU 86 HG2 GLU 86 -9.913 0.291 12.897 530 2HG GLU 86 HG1 GLU 86 -8.338 0.813 13.547 531 H TYR 87 H TYR 87 -8.765 2.509 8.449 532 HA TYR 87 HA TYR 87 -8.490 5.266 9.085 533 1HB TYR 87 HB1 TYR 87 -8.528 4.110 6.249 534 2HB TYR 87 HB2 TYR 87 -7.697 5.602 6.762 535 HD1 TYR 87 HD1 TYR 87 -6.570 4.012 9.485 536 HD2 TYR 87 HD2 TYR 87 -6.459 3.455 5.233 537 HE1 TYR 87 HE1 TYR 87 -4.863 2.285 9.757 538 HE2 TYR 87 HE2 TYR 87 -4.436 2.011 5.474 539 HH TYR 87 HH TYR 87 -3.350 0.523 7.048 540 H ILE 88 H ILE 88 -10.847 3.603 6.880 541 HA ILE 88 HA ILE 88 -11.943 6.122 5.986 542 HB ILE 88 HB ILE 88 -13.422 3.445 5.999 543 1HG1 ILE 88 HG12 ILE 88 -12.322 3.883 3.358 544 2HG1 ILE 88 HG11 ILE 88 -10.976 4.193 4.460 545 1HG2 ILE 88 HG22 ILE 88 -14.794 5.484 5.478 546 2HG2 ILE 88 HG23 ILE 88 -13.664 5.914 4.161 547 3HG2 ILE 88 HG21 ILE 88 -14.643 4.422 4.054 548 1HD1 ILE 88 HD12 ILE 88 -11.475 1.898 5.531 549 2HD1 ILE 88 HD13 ILE 88 -12.703 1.633 4.278 550 3HD1 ILE 88 HD11 ILE 88 -10.978 1.809 3.829 551 H ARG 89 H ARG 89 -12.629 3.792 8.677 552 HA ARG 89 HA ARG 89 -14.978 5.228 9.586 553 1HB ARG 89 HB2 ARG 89 -13.065 3.255 10.983 554 2HB ARG 89 HB1 ARG 89 -14.540 3.908 11.740 555 1HG ARG 89 HG2 ARG 89 -15.988 2.909 10.062 556 2HG ARG 89 HG1 ARG 89 -14.616 2.544 8.991 557 1HD ARG 89 HD2 ARG 89 -14.090 0.539 10.181 558 2HD ARG 89 HD1 ARG 89 -14.538 1.280 11.713 559 HE ARG 89 HE ARG 89 -16.592 0.326 11.615 560 1HH1 ARG 89 HH12 ARG 89 -15.452 0.627 8.208 561 2HH1 ARG 89 HH11 ARG 89 -16.961 -0.004 7.575 562 1HH2 ARG 89 HH22 ARG 89 -18.456 -0.510 10.714 563 2HH2 ARG 89 HH21 ARG 89 -18.618 -0.673 8.965 564 H ASN 90 H ASN 90 -11.441 5.643 10.104 565 HA ASN 90 HA ASN 90 -11.868 7.638 12.206 566 1HB ASN 90 HB2 ASN 90 -9.778 6.246 12.112 567 2HB ASN 90 HB1 ASN 90 -9.379 6.969 10.535 568 1HD2 ASN 90 HD21 ASN 90 -9.013 9.301 13.978 569 2HD2 ASN 90 HD22 ASN 90 -10.134 7.990 13.994 570 H PHE 91 H PHE 91 -11.885 7.661 8.622 571 HA PHE 91 HA PHE 91 -11.908 10.664 8.758 572 1HB PHE 91 HB2 PHE 91 -9.944 8.933 7.552 573 2HB PHE 91 HB1 PHE 91 -10.873 9.574 6.197 574 HD1 PHE 91 HD1 PHE 91 -11.524 12.330 6.872 575 HD2 PHE 91 HD2 PHE 91 -7.921 10.129 7.717 576 HE1 PHE 91 HE1 PHE 91 -10.251 14.449 7.027 577 HE2 PHE 91 HE2 PHE 91 -6.646 12.235 7.803 578 HZ PHE 91 HZ PHE 91 -7.807 14.409 7.478 579 H GLY 92 H GLY 92 -14.236 8.825 8.956 580 1HA GLY 92 HA2 GLY 92 -15.364 8.802 6.221 581 2HA GLY 92 HA1 GLY 92 -16.161 8.254 7.713 No H/Q in entry = 581 Start of MODEL 2 1 H MET 15 H MET 15 -2.133 8.411 12.364 2 HA MET 15 HA MET 15 -1.146 8.623 10.076 3 1HB MET 15 HB2 MET 15 0.985 7.406 10.503 4 2HB MET 15 HB1 MET 15 0.396 8.204 11.994 5 1HG MET 15 HG2 MET 15 -0.688 5.939 12.640 6 2HG MET 15 HG1 MET 15 0.246 5.199 11.292 7 1HE MET 15 HE2 MET 15 0.305 4.272 14.240 8 2HE MET 15 HE3 MET 15 1.507 3.531 13.130 9 3HE MET 15 HE1 MET 15 2.029 4.187 14.718 10 H ALA 16 H ALA 16 -2.473 5.333 10.991 11 HA ALA 16 HA ALA 16 -1.668 4.007 8.687 12 1HB ALA 16 HB1 ALA 16 -2.904 2.834 10.474 13 2HB ALA 16 HB2 ALA 16 -4.413 3.684 10.021 14 3HB ALA 16 HB3 ALA 16 -3.636 2.564 8.863 15 HA PRO 17 HA PRO 17 -5.224 5.848 6.080 16 1HB PRO 17 HB2 PRO 17 -6.337 8.265 6.692 17 2HB PRO 17 HB1 PRO 17 -6.893 6.738 7.446 18 1HG PRO 17 HG1 PRO 17 -5.064 8.736 8.749 19 2HG PRO 17 HG2 PRO 17 -6.519 7.941 9.419 20 1HD PRO 17 HD1 PRO 17 -4.021 6.980 9.930 21 2HD PRO 17 HD2 PRO 17 -5.398 5.833 9.708 22 H ALA 18 H ALA 18 -3.073 8.405 7.629 23 HA ALA 18 HA ALA 18 -2.640 9.751 5.111 24 1HB ALA 18 HB1 ALA 18 -2.052 10.792 7.335 25 2HB ALA 18 HB2 ALA 18 -0.784 9.544 7.569 26 3HB ALA 18 HB3 ALA 18 -0.637 10.732 6.237 27 H LEU 19 H LEU 19 -1.294 6.794 6.715 28 HA LEU 19 HA LEU 19 1.094 6.914 5.092 29 1HB LEU 19 HB2 LEU 19 1.042 6.224 7.437 30 2HB LEU 19 HB1 LEU 19 0.140 4.742 7.037 31 HG LEU 19 HG LEU 19 2.667 4.595 7.489 32 1HD1 LEU 19 HD12 LEU 19 1.341 2.749 6.296 33 2HD1 LEU 19 HD13 LEU 19 1.885 3.451 4.765 34 3HD1 LEU 19 HD11 LEU 19 3.097 2.859 5.948 35 1HD2 LEU 19 HD23 LEU 19 3.401 6.598 6.117 36 2HD2 LEU 19 HD21 LEU 19 4.276 5.084 5.721 37 3HD2 LEU 19 HD22 LEU 19 3.004 5.671 4.626 38 H VAL 20 H VAL 20 -1.589 4.286 5.283 39 HA VAL 20 HA VAL 20 -1.103 3.182 2.861 40 HB VAL 20 HB VAL 20 -3.004 2.513 4.306 41 1HG1 VAL 20 HG12 VAL 20 -3.946 4.904 4.472 42 2HG1 VAL 20 HG13 VAL 20 -4.665 4.675 2.859 43 3HG1 VAL 20 HG11 VAL 20 -5.150 3.619 4.228 44 1HG2 VAL 20 HG23 VAL 20 -2.802 1.520 2.017 45 2HG2 VAL 20 HG21 VAL 20 -4.516 1.741 2.468 46 3HG2 VAL 20 HG22 VAL 20 -3.748 2.868 1.323 47 H ALA 21 H ALA 21 -2.486 6.529 3.357 48 HA ALA 21 HA ALA 21 -3.177 6.801 0.639 49 1HB ALA 21 HB1 ALA 21 -4.164 8.332 2.298 50 2HB ALA 21 HB2 ALA 21 -2.555 9.051 2.623 51 3HB ALA 21 HB3 ALA 21 -3.319 9.254 1.021 52 H ALA 22 H ALA 22 -0.121 7.541 2.472 53 HA ALA 22 HA ALA 22 1.277 9.041 0.633 54 1HB ALA 22 HB1 ALA 22 2.186 8.324 2.886 55 2HB ALA 22 HB2 ALA 22 2.448 6.683 2.221 56 3HB ALA 22 HB3 ALA 22 3.365 8.072 1.571 57 H PHE 23 H PHE 23 0.316 5.671 -0.038 58 HA PHE 23 HA PHE 23 1.805 5.949 -2.603 59 1HB PHE 23 HB2 PHE 23 3.163 4.673 -0.826 60 2HB PHE 23 HB1 PHE 23 1.912 3.371 -1.046 61 HD1 PHE 23 HD1 PHE 23 3.677 5.492 -3.719 62 HD2 PHE 23 HD2 PHE 23 3.261 1.630 -1.798 63 HE1 PHE 23 HE1 PHE 23 5.192 4.490 -5.361 64 HE2 PHE 23 HE2 PHE 23 4.765 0.651 -3.451 65 HZ PHE 23 HZ PHE 23 5.687 2.068 -5.305 66 H GLY 24 H GLY 24 -0.548 3.705 -0.791 67 1HA GLY 24 HA2 GLY 24 -1.899 3.038 -3.221 68 2HA GLY 24 HA1 GLY 24 -2.571 2.903 -1.573 69 H GLY 25 H GLY 25 -1.997 6.054 -1.288 70 1HA GLY 25 HA2 GLY 25 -4.556 6.824 -2.689 71 2HA GLY 25 HA1 GLY 25 -3.863 7.662 -1.299 72 H LYS 26 H LYS 26 -1.504 6.685 -3.772 73 HA LYS 26 HA LYS 26 -1.374 9.565 -4.630 74 1HB LYS 26 HB2 LYS 26 0.524 7.191 -5.054 75 2HB LYS 26 HB1 LYS 26 0.829 8.876 -5.560 76 1HG LYS 26 HG2 LYS 26 0.463 7.930 -2.650 77 2HG LYS 26 HG1 LYS 26 2.031 8.123 -3.475 78 1HD LYS 26 HD2 LYS 26 0.632 10.627 -3.834 79 2HD LYS 26 HD1 LYS 26 0.418 10.189 -2.125 80 1HE LYS 26 HE2 LYS 26 2.835 10.101 -1.774 81 2HE LYS 26 HE1 LYS 26 3.178 10.181 -3.525 82 1HZ LYS 26 HZ3 LYS 26 1.817 12.402 -1.988 83 2HZ LYS 26 HZ1 LYS 26 3.505 12.364 -2.423 84 3HZ LYS 26 HZ2 LYS 26 2.295 12.424 -3.664 85 H GLU 27 H GLU 27 -3.748 8.538 -5.508 86 HA GLU 27 HA GLU 27 -3.646 6.486 -7.349 87 1HB GLU 27 HB2 GLU 27 -5.848 6.988 -8.050 88 2HB GLU 27 HB1 GLU 27 -5.754 7.647 -6.399 89 1HG GLU 27 HG2 GLU 27 -5.248 9.949 -7.501 90 2HG GLU 27 HG1 GLU 27 -5.531 9.169 -9.088 91 H ASN 28 H ASN 28 -2.630 9.849 -7.894 92 HA ASN 28 HA ASN 28 -2.605 9.959 -10.666 93 1HB ASN 28 HB2 ASN 28 -1.857 11.793 -9.094 94 2HB ASN 28 HB1 ASN 28 -0.396 10.850 -8.702 95 1HD2 ASN 28 HD21 ASN 28 -0.772 12.660 -12.464 96 2HD2 ASN 28 HD22 ASN 28 -2.207 12.174 -11.634 97 H ILE 29 H ILE 29 -0.763 7.642 -8.747 98 HA ILE 29 HA ILE 29 1.512 7.227 -10.149 99 HB ILE 29 HB ILE 29 -0.568 5.270 -9.071 100 1HG1 ILE 29 HG12 ILE 29 0.233 5.847 -7.005 101 2HG1 ILE 29 HG11 ILE 29 1.643 4.933 -7.398 102 1HG2 ILE 29 HG23 ILE 29 2.136 4.401 -10.161 103 2HG2 ILE 29 HG21 ILE 29 1.209 3.417 -9.042 104 3HG2 ILE 29 HG22 ILE 29 0.497 3.863 -10.598 105 1HD1 ILE 29 HD12 ILE 29 2.795 6.956 -8.324 106 2HD1 ILE 29 HD13 ILE 29 1.435 7.953 -7.747 107 3HD1 ILE 29 HD11 ILE 29 2.442 7.033 -6.587 108 H THR 30 H THR 30 2.355 5.883 -11.850 109 HA THR 30 HA THR 30 0.791 5.993 -14.219 110 HB THR 30 HB THR 30 2.736 4.628 -15.205 111 HG1 THR 30 HG1 THR 30 3.621 3.669 -13.243 112 1HG2 THR 30 HG21 THR 30 3.278 7.249 -13.670 113 2HG2 THR 30 HG22 THR 30 4.356 6.543 -14.904 114 3HG2 THR 30 HG23 THR 30 2.724 7.103 -15.363 115 H ASN 31 H ASN 31 1.708 2.891 -12.306 116 HA ASN 31 HA ASN 31 -0.912 1.875 -13.318 117 1HB ASN 31 HB2 ASN 31 1.816 0.856 -13.968 118 2HB ASN 31 HB1 ASN 31 0.759 -0.394 -13.263 119 1HD2 ASN 31 HD21 ASN 31 -0.503 -0.924 -16.551 120 2HD2 ASN 31 HD22 ASN 31 0.059 -1.646 -15.094 121 H LEU 32 H LEU 32 -2.096 0.557 -11.887 122 HA LEU 32 HA LEU 32 -0.781 -0.226 -9.287 123 1HB LEU 32 HB2 LEU 32 -3.521 0.971 -9.928 124 2HB LEU 32 HB1 LEU 32 -3.438 -0.232 -8.626 125 HG LEU 32 HG LEU 32 -3.476 2.283 -8.022 126 1HD1 LEU 32 HD12 LEU 32 -3.161 0.526 -6.305 127 2HD1 LEU 32 HD13 LEU 32 -1.416 0.480 -6.658 128 3HD1 LEU 32 HD11 LEU 32 -2.141 1.947 -5.969 129 1HD2 LEU 32 HD23 LEU 32 -1.566 2.991 -9.552 130 2HD2 LEU 32 HD21 LEU 32 -1.276 3.395 -7.823 131 3HD2 LEU 32 HD22 LEU 32 -0.485 1.979 -8.545 132 H ASP 33 H ASP 33 -1.388 -2.474 -8.693 133 HA ASP 33 HA ASP 33 -3.219 -3.825 -10.677 134 1HB ASP 33 HB2 ASP 33 -0.850 -5.162 -9.374 135 2HB ASP 33 HB1 ASP 33 -1.915 -5.871 -10.581 136 H ALA 34 H ALA 34 -4.431 -2.674 -8.576 137 HA ALA 34 HA ALA 34 -4.151 -4.032 -6.124 138 1HB ALA 34 HB1 ALA 34 -5.292 -1.888 -6.219 139 2HB ALA 34 HB2 ALA 34 -6.645 -2.618 -7.143 140 3HB ALA 34 HB3 ALA 34 -6.334 -3.126 -5.449 141 H CYS 35 H CYS 35 -5.087 -5.973 -5.226 142 HA CYS 35 HA CYS 35 -7.207 -7.309 -6.717 143 1HB CYS 35 HB2 CYS 35 -4.890 -7.727 -7.978 144 2HB CYS 35 HB1 CYS 35 -4.539 -8.817 -6.611 145 H ILE 36 H ILE 36 -7.817 -9.463 -5.652 146 HA ILE 36 HA ILE 36 -8.572 -9.602 -3.311 147 HB ILE 36 HB ILE 36 -7.304 -12.009 -2.881 148 1HG1 ILE 36 HG12 ILE 36 -6.967 -13.171 -5.026 149 2HG1 ILE 36 HG11 ILE 36 -7.280 -11.700 -5.953 150 1HG2 ILE 36 HG22 ILE 36 -9.715 -11.659 -3.058 151 2HG2 ILE 36 HG23 ILE 36 -9.586 -11.482 -4.834 152 3HG2 ILE 36 HG21 ILE 36 -9.199 -13.041 -4.047 153 1HD1 ILE 36 HD12 ILE 36 -5.093 -10.735 -4.957 154 2HD1 ILE 36 HD13 ILE 36 -4.787 -12.373 -4.268 155 3HD1 ILE 36 HD11 ILE 36 -4.912 -12.149 -6.015 156 H THR 37 H THR 37 -5.290 -10.936 -2.627 157 HA THR 37 HA THR 37 -5.110 -8.936 -0.411 158 HB THR 37 HB THR 37 -3.924 -10.689 0.830 159 HG1 THR 37 HG1 THR 37 -4.512 -12.572 -1.224 160 1HG2 THR 37 HG23 THR 37 -6.400 -10.490 1.152 161 2HG2 THR 37 HG21 THR 37 -6.688 -11.649 -0.179 162 3HG2 THR 37 HG22 THR 37 -5.877 -12.196 1.316 163 H ARG 38 H ARG 38 -4.229 -8.736 -3.348 164 HA ARG 38 HA ARG 38 -1.311 -8.493 -2.832 165 1HB ARG 38 HB2 ARG 38 -1.718 -10.598 -4.117 166 2HB ARG 38 HB1 ARG 38 -2.653 -9.697 -5.317 167 1HG ARG 38 HG2 ARG 38 -0.094 -8.309 -5.061 168 2HG ARG 38 HG1 ARG 38 0.254 -10.046 -5.171 169 1HD ARG 38 HD2 ARG 38 -1.477 -8.652 -7.262 170 2HD ARG 38 HD1 ARG 38 0.312 -8.824 -7.306 171 HE ARG 38 HE ARG 38 -0.944 -11.392 -6.802 172 1HH1 ARG 38 HH12 ARG 38 -0.303 -9.044 -9.465 173 2HH1 ARG 38 HH11 ARG 38 -0.129 -10.334 -10.647 174 1HH2 ARG 38 HH22 ARG 38 -0.725 -12.959 -8.387 175 2HH2 ARG 38 HH21 ARG 38 -0.393 -12.508 -10.060 176 H LEU 39 H LEU 39 -0.728 -6.288 -3.411 177 HA LEU 39 HA LEU 39 -2.219 -5.165 -5.691 178 1HB LEU 39 HB2 LEU 39 -2.755 -3.051 -4.592 179 2HB LEU 39 HB1 LEU 39 -3.386 -4.406 -3.635 180 HG LEU 39 HG LEU 39 -1.135 -3.997 -2.208 181 1HD1 LEU 39 HD12 LEU 39 -0.330 -2.133 -3.838 182 2HD1 LEU 39 HD13 LEU 39 -1.720 -1.155 -3.330 183 3HD1 LEU 39 HD11 LEU 39 -0.468 -1.589 -2.136 184 1HD2 LEU 39 HD23 LEU 39 -3.485 -3.737 -1.298 185 2HD2 LEU 39 HD21 LEU 39 -2.439 -2.426 -0.718 186 3HD2 LEU 39 HD22 LEU 39 -3.603 -2.132 -2.041 187 H ARG 40 H ARG 40 -0.960 -2.979 -6.331 188 HA ARG 40 HA ARG 40 1.918 -3.422 -5.949 189 1HB ARG 40 HB2 ARG 40 0.785 -3.677 -8.808 190 2HB ARG 40 HB1 ARG 40 2.492 -3.734 -8.358 191 1HG ARG 40 HG2 ARG 40 2.127 -5.937 -7.203 192 2HG ARG 40 HG1 ARG 40 0.447 -5.931 -7.672 193 1HD ARG 40 HD2 ARG 40 0.996 -6.646 -9.849 194 2HD ARG 40 HD1 ARG 40 2.278 -5.396 -9.995 195 HE ARG 40 HE ARG 40 3.204 -7.558 -8.333 196 1HH1 ARG 40 HH12 ARG 40 2.436 -6.780 -11.757 197 2HH1 ARG 40 HH11 ARG 40 3.687 -7.857 -12.352 198 1HH2 ARG 40 HH22 ARG 40 4.802 -8.892 -9.192 199 2HH2 ARG 40 HH21 ARG 40 4.985 -9.053 -10.935 200 H VAL 41 H VAL 41 3.194 -1.573 -7.004 201 HA VAL 41 HA VAL 41 1.296 0.626 -7.749 202 HB VAL 41 HB VAL 41 3.427 0.860 -5.623 203 1HG1 VAL 41 HG12 VAL 41 2.420 2.933 -6.654 204 2HG1 VAL 41 HG13 VAL 41 0.786 2.445 -6.137 205 3HG1 VAL 41 HG11 VAL 41 2.015 2.882 -4.924 206 1HG2 VAL 41 HG22 VAL 41 0.554 0.054 -5.005 207 2HG2 VAL 41 HG23 VAL 41 2.045 -0.866 -4.620 208 3HG2 VAL 41 HG21 VAL 41 1.711 0.670 -3.801 209 H SER 42 H SER 42 2.299 0.065 -9.923 210 HA SER 42 HA SER 42 5.177 0.337 -10.154 211 1HB SER 42 HB2 SER 42 4.215 -1.110 -11.750 212 2HB SER 42 HB1 SER 42 2.957 0.079 -12.162 213 HG SER 42 HG SER 42 4.687 0.097 -13.764 214 H VAL 43 H VAL 43 6.310 2.252 -9.881 215 HA VAL 43 HA VAL 43 5.529 4.564 -11.419 216 HB VAL 43 HB VAL 43 4.110 5.484 -9.866 217 1HG1 VAL 43 HG13 VAL 43 5.233 3.458 -7.816 218 2HG1 VAL 43 HG11 VAL 43 3.923 4.599 -7.443 219 3HG1 VAL 43 HG12 VAL 43 3.657 3.357 -8.679 220 1HG2 VAL 43 HG23 VAL 43 6.192 6.798 -9.247 221 2HG2 VAL 43 HG21 VAL 43 4.994 6.700 -7.957 222 3HG2 VAL 43 HG22 VAL 43 6.388 5.635 -7.874 223 H ALA 44 H ALA 44 7.215 6.255 -11.374 224 HA ALA 44 HA ALA 44 9.716 5.422 -9.910 225 1HB ALA 44 HB1 ALA 44 9.939 5.605 -12.376 226 2HB ALA 44 HB2 ALA 44 9.346 7.292 -12.317 227 3HB ALA 44 HB3 ALA 44 10.895 6.861 -11.529 228 H ASP 45 H ASP 45 8.480 6.210 -7.943 229 HA ASP 45 HA ASP 45 9.001 9.139 -7.592 230 1HB ASP 45 HB2 ASP 45 6.494 7.764 -6.470 231 2HB ASP 45 HB1 ASP 45 7.189 9.292 -5.892 232 H VAL 46 H VAL 46 10.825 7.229 -7.358 233 HA VAL 46 HA VAL 46 10.850 6.313 -4.555 234 HB VAL 46 HB VAL 46 11.743 4.989 -6.544 235 1HG1 VAL 46 HG12 VAL 46 13.082 6.806 -7.677 236 2HG1 VAL 46 HG13 VAL 46 14.158 6.897 -6.255 237 3HG1 VAL 46 HG11 VAL 46 14.101 5.414 -7.248 238 1HG2 VAL 46 HG23 VAL 46 12.190 4.328 -4.188 239 2HG2 VAL 46 HG21 VAL 46 13.580 3.963 -5.239 240 3HG2 VAL 46 HG22 VAL 46 13.641 5.375 -4.150 241 H SER 47 H SER 47 11.152 9.387 -5.962 242 HA SER 47 HA SER 47 13.412 10.493 -4.896 243 1HB SER 47 HB2 SER 47 11.749 11.803 -6.174 244 2HB SER 47 HB1 SER 47 10.546 11.618 -4.862 245 HG SER 47 HG SER 47 11.742 13.665 -4.705 246 H LYS 48 H LYS 48 10.487 9.323 -3.054 247 HA LYS 48 HA LYS 48 12.068 9.303 -0.687 248 1HB LYS 48 HB2 LYS 48 10.951 10.869 0.761 249 2HB LYS 48 HB1 LYS 48 11.775 11.713 -0.567 250 1HG LYS 48 HG2 LYS 48 8.764 11.363 -0.169 251 2HG LYS 48 HG1 LYS 48 9.698 12.848 -0.059 252 1HD LYS 48 HD2 LYS 48 10.300 12.799 -2.455 253 2HD LYS 48 HD1 LYS 48 9.338 11.342 -2.723 254 1HE LYS 48 HE2 LYS 48 8.221 14.057 -1.888 255 2HE LYS 48 HE1 LYS 48 8.076 13.240 -3.468 256 1HZ LYS 48 HZ2 LYS 48 6.807 11.401 -2.288 257 2HZ LYS 48 HZ3 LYS 48 6.772 12.420 -0.861 258 3HZ LYS 48 HZ1 LYS 48 6.013 12.941 -2.325 259 H VAL 49 H VAL 49 8.510 9.615 -1.551 260 HA VAL 49 HA VAL 49 6.740 8.556 -0.580 261 HB VAL 49 HB VAL 49 7.588 7.622 -2.716 262 1HG1 VAL 49 HG13 VAL 49 8.988 5.531 -0.963 263 2HG1 VAL 49 HG11 VAL 49 8.679 5.312 -2.715 264 3HG1 VAL 49 HG12 VAL 49 9.696 6.640 -2.173 265 1HG2 VAL 49 HG23 VAL 49 5.393 6.942 -1.863 266 2HG2 VAL 49 HG21 VAL 49 6.169 5.744 -2.922 267 3HG2 VAL 49 HG22 VAL 49 6.088 5.454 -1.180 268 H ASP 50 H ASP 50 5.932 6.464 0.810 269 HA ASP 50 HA ASP 50 7.971 6.021 2.975 270 1HB ASP 50 HB2 ASP 50 6.151 7.823 3.396 271 2HB ASP 50 HB1 ASP 50 4.970 6.495 3.407 272 H GLN 51 H GLN 51 7.969 4.354 0.863 273 HA GLN 51 HA GLN 51 5.962 2.287 1.084 274 1HB GLN 51 HB2 GLN 51 8.797 1.958 -0.085 275 2HB GLN 51 HB1 GLN 51 7.423 0.827 -0.251 276 1HG GLN 51 HG2 GLN 51 6.156 2.544 -1.572 277 2HG GLN 51 HG1 GLN 51 7.491 3.689 -1.324 278 1HE2 GLN 51 HE21 GLN 51 8.358 2.627 -4.618 279 2HE2 GLN 51 HE22 GLN 51 7.321 3.754 -3.838 280 H ALA 52 H ALA 52 9.405 2.757 2.241 281 HA ALA 52 HA ALA 52 9.902 0.426 3.527 282 1HB ALA 52 HB1 ALA 52 11.439 2.397 3.635 283 2HB ALA 52 HB2 ALA 52 10.300 3.234 4.736 284 3HB ALA 52 HB3 ALA 52 11.149 1.749 5.277 285 H GLY 53 H GLY 53 7.500 2.899 4.714 286 1HA GLY 53 HA2 GLY 53 6.823 1.117 7.013 287 2HA GLY 53 HA1 GLY 53 6.112 2.703 6.639 288 H LEU 54 H LEU 54 5.252 2.474 4.016 289 HA LEU 54 HA LEU 54 2.777 1.211 4.419 290 1HB LEU 54 HB2 LEU 54 3.682 2.879 2.508 291 2HB LEU 54 HB1 LEU 54 3.753 1.418 1.534 292 HG LEU 54 HG LEU 54 1.114 1.883 3.026 293 1HD1 LEU 54 HD13 LEU 54 2.219 3.935 1.064 294 2HD1 LEU 54 HD11 LEU 54 0.484 3.752 1.356 295 3HD1 LEU 54 HD12 LEU 54 1.635 4.161 2.657 296 1HD2 LEU 54 HD22 LEU 54 1.731 1.237 0.095 297 2HD2 LEU 54 HD23 LEU 54 1.264 0.061 1.351 298 3HD2 LEU 54 HD21 LEU 54 0.107 1.313 0.827 299 H LYS 55 H LYS 55 5.752 -0.213 3.334 300 HA LYS 55 HA LYS 55 4.473 -2.448 2.172 301 1HB LYS 55 HB2 LYS 55 6.835 -3.387 2.011 302 2HB LYS 55 HB1 LYS 55 6.689 -1.680 1.485 303 1HG LYS 55 HG2 LYS 55 8.623 -1.449 2.716 304 2HG LYS 55 HG1 LYS 55 7.510 -1.322 4.094 305 1HD LYS 55 HD2 LYS 55 9.161 -2.829 4.795 306 2HD LYS 55 HD1 LYS 55 7.729 -3.821 4.412 307 1HE LYS 55 HE2 LYS 55 9.084 -3.912 1.960 308 2HE LYS 55 HE1 LYS 55 10.460 -3.626 3.033 309 1HZ LYS 55 HZ2 LYS 55 9.730 -5.597 4.392 310 2HZ LYS 55 HZ3 LYS 55 8.429 -5.854 3.259 311 3HZ LYS 55 HZ1 LYS 55 10.078 -6.024 2.728 312 H LYS 56 H LYS 56 5.599 -1.890 5.414 313 HA LYS 56 HA LYS 56 4.781 -4.711 6.132 314 1HB LYS 56 HB2 LYS 56 6.003 -4.266 8.315 315 2HB LYS 56 HB1 LYS 56 6.962 -4.477 6.815 316 1HG LYS 56 HG2 LYS 56 7.423 -2.069 6.672 317 2HG LYS 56 HG1 LYS 56 6.343 -1.749 8.067 318 1HD LYS 56 HD2 LYS 56 8.720 -1.619 8.621 319 2HD LYS 56 HD1 LYS 56 7.938 -2.907 9.576 320 1HE LYS 56 HE2 LYS 56 9.298 -3.700 6.961 321 2HE LYS 56 HE1 LYS 56 10.356 -3.219 8.297 322 1HZ LYS 56 HZ3 LYS 56 8.269 -5.392 8.603 323 2HZ LYS 56 HZ1 LYS 56 9.957 -5.646 8.241 324 3HZ LYS 56 HZ2 LYS 56 9.489 -4.914 9.737 325 H LEU 57 H LEU 57 4.207 -1.230 6.989 326 HA LEU 57 HA LEU 57 2.172 -1.889 8.911 327 1HB LEU 57 HB2 LEU 57 3.582 0.310 8.611 328 2HB LEU 57 HB1 LEU 57 2.429 0.733 7.325 329 HG LEU 57 HG LEU 57 1.946 0.326 10.342 330 1HD1 LEU 57 HD12 LEU 57 2.919 2.578 9.488 331 2HD1 LEU 57 HD13 LEU 57 1.365 2.809 8.631 332 3HD1 LEU 57 HD11 LEU 57 1.385 2.695 10.402 333 1HD2 LEU 57 HD22 LEU 57 -0.126 0.768 8.098 334 2HD2 LEU 57 HD23 LEU 57 0.025 -0.607 9.256 335 3HD2 LEU 57 HD21 LEU 57 -0.484 0.997 9.843 336 H GLY 58 H GLY 58 2.141 -0.734 5.417 337 1HA GLY 58 HA2 GLY 58 -0.787 -0.858 5.350 338 2HA GLY 58 HA1 GLY 58 0.283 -0.382 4.025 339 H ALA 59 H ALA 59 1.965 -2.542 3.610 340 HA ALA 59 HA ALA 59 0.071 -4.738 2.894 341 1HB ALA 59 HB1 ALA 59 1.119 -3.390 1.003 342 2HB ALA 59 HB2 ALA 59 2.696 -4.011 1.577 343 3HB ALA 59 HB3 ALA 59 1.458 -5.137 0.940 344 H ALA 60 H ALA 60 2.161 -6.716 2.505 345 HA ALA 60 HA ALA 60 3.537 -6.816 5.175 346 1HB ALA 60 HB1 ALA 60 1.266 -8.096 5.227 347 2HB ALA 60 HB2 ALA 60 1.973 -9.177 3.990 348 3HB ALA 60 HB3 ALA 60 2.722 -9.059 5.601 349 H GLY 61 H GLY 61 4.654 -6.096 2.574 350 1HA GLY 61 HA2 GLY 61 6.907 -7.407 2.173 351 2HA GLY 61 HA1 GLY 61 5.811 -8.666 1.581 352 H VAL 62 H VAL 62 7.208 -5.501 0.740 353 HA VAL 62 HA VAL 62 5.877 -5.850 -1.916 354 HB VAL 62 HB VAL 62 5.521 -3.457 -2.162 355 1HG1 VAL 62 HG13 VAL 62 5.124 -4.034 0.765 356 2HG1 VAL 62 HG11 VAL 62 4.560 -2.539 -0.084 357 3HG1 VAL 62 HG12 VAL 62 3.919 -4.135 -0.461 358 1HG2 VAL 62 HG22 VAL 62 7.774 -3.008 -0.183 359 2HG2 VAL 62 HG23 VAL 62 7.763 -2.738 -1.937 360 3HG2 VAL 62 HG21 VAL 62 6.746 -1.720 -0.906 361 H VAL 63 H VAL 63 7.259 -5.038 -3.737 362 HA VAL 63 HA VAL 63 10.151 -5.265 -2.981 363 HB VAL 63 HB VAL 63 10.573 -6.966 -4.445 364 1HG1 VAL 63 HG12 VAL 63 8.676 -7.906 -3.153 365 2HG1 VAL 63 HG13 VAL 63 7.509 -7.372 -4.390 366 3HG1 VAL 63 HG11 VAL 63 8.731 -8.600 -4.797 367 1HG2 VAL 63 HG22 VAL 63 8.624 -5.701 -6.437 368 2HG2 VAL 63 HG23 VAL 63 10.400 -5.691 -6.452 369 3HG2 VAL 63 HG21 VAL 63 9.514 -7.215 -6.733 370 H VAL 64 H VAL 64 11.549 -3.887 -4.412 371 HA VAL 64 HA VAL 64 9.899 -1.832 -5.855 372 HB VAL 64 HB VAL 64 12.332 -1.167 -4.146 373 1HG1 VAL 64 HG12 VAL 64 11.525 0.464 -5.921 374 2HG1 VAL 64 HG13 VAL 64 9.932 0.536 -5.110 375 3HG1 VAL 64 HG11 VAL 64 11.384 1.138 -4.270 376 1HG2 VAL 64 HG22 VAL 64 9.416 -1.192 -3.172 377 2HG2 VAL 64 HG23 VAL 64 10.751 -2.184 -2.545 378 3HG2 VAL 64 HG21 VAL 64 10.779 -0.416 -2.326 379 H ALA 65 H ALA 65 10.371 -2.637 -7.955 380 HA ALA 65 HA ALA 65 13.301 -2.995 -8.584 381 1HB ALA 65 HB2 ALA 65 10.762 -4.108 -9.929 382 2HB ALA 65 HB3 ALA 65 12.446 -4.410 -10.445 383 3HB ALA 65 HB1 ALA 65 11.871 -5.009 -8.861 384 H GLY 66 H GLY 66 13.611 -0.576 -8.897 385 1HA GLY 66 HA2 GLY 66 12.322 1.341 -10.061 386 2HA GLY 66 HA1 GLY 66 13.935 0.966 -10.697 387 H SER 67 H SER 67 10.576 1.195 -11.588 388 HA SER 67 HA SER 67 10.203 0.981 -14.083 389 1HB SER 67 HB2 SER 67 11.247 -1.863 -13.572 390 2HB SER 67 HB1 SER 67 10.219 -1.383 -14.952 391 HG SER 67 HG SER 67 12.510 -1.221 -15.500 392 H GLY 68 H GLY 68 9.768 -1.244 -11.235 393 1HA GLY 68 HA2 GLY 68 6.914 -0.665 -11.309 394 2HA GLY 68 HA1 GLY 68 7.326 -2.357 -11.715 395 H VAL 69 H VAL 69 5.839 -1.620 -9.300 396 HA VAL 69 HA VAL 69 7.808 -2.457 -7.220 397 HB VAL 69 HB VAL 69 5.619 -0.394 -6.753 398 1HG1 VAL 69 HG12 VAL 69 6.236 -1.691 -4.739 399 2HG1 VAL 69 HG13 VAL 69 7.932 -1.190 -4.938 400 3HG1 VAL 69 HG11 VAL 69 6.729 0.018 -4.581 401 1HG2 VAL 69 HG22 VAL 69 8.627 0.047 -7.257 402 2HG2 VAL 69 HG23 VAL 69 7.267 0.667 -8.238 403 3HG2 VAL 69 HG21 VAL 69 7.550 1.311 -6.606 404 H GLN 70 H GLN 70 6.814 -4.181 -5.968 405 HA GLN 70 HA GLN 70 4.006 -4.834 -6.810 406 1HB GLN 70 HB2 GLN 70 5.355 -6.585 -7.724 407 2HB GLN 70 HB1 GLN 70 6.493 -6.529 -6.372 408 1HG GLN 70 HG2 GLN 70 4.964 -7.513 -4.802 409 2HG GLN 70 HG1 GLN 70 3.644 -7.499 -6.006 410 1HE2 GLN 70 HE21 GLN 70 4.706 -10.771 -7.128 411 2HE2 GLN 70 HE22 GLN 70 3.425 -9.632 -7.070 412 H ALA 71 H ALA 71 2.514 -5.581 -4.954 413 HA ALA 71 HA ALA 71 3.779 -5.201 -2.355 414 1HB ALA 71 HB1 ALA 71 2.806 -2.953 -2.988 415 2HB ALA 71 HB2 ALA 71 1.242 -3.742 -3.305 416 3HB ALA 71 HB3 ALA 71 1.850 -3.654 -1.643 417 H ILE 72 H ILE 72 3.124 -6.773 -0.765 418 HA ILE 72 HA ILE 72 0.640 -8.242 -1.534 419 HB ILE 72 HB ILE 72 3.478 -9.291 -1.317 420 1HG1 ILE 72 HG12 ILE 72 2.300 -11.040 -3.023 421 2HG1 ILE 72 HG11 ILE 72 1.006 -9.846 -3.043 422 1HG2 ILE 72 HG22 ILE 72 2.274 -10.520 0.592 423 2HG2 ILE 72 HG23 ILE 72 1.136 -11.131 -0.656 424 3HG2 ILE 72 HG21 ILE 72 2.861 -11.551 -0.723 425 1HD1 ILE 72 HD12 ILE 72 2.905 -8.136 -3.742 426 2HD1 ILE 72 HD13 ILE 72 3.959 -9.566 -3.861 427 3HD1 ILE 72 HD11 ILE 72 2.526 -9.403 -4.921 428 H PHE 73 H PHE 73 -0.807 -8.554 0.146 429 HA PHE 73 HA PHE 73 0.327 -7.948 2.848 430 1HB PHE 73 HB2 PHE 73 -2.255 -7.917 3.302 431 2HB PHE 73 HB1 PHE 73 -1.324 -6.458 3.027 432 HD1 PHE 73 HD2 PHE 73 -0.990 -6.175 0.137 433 HD2 PHE 73 HD1 PHE 73 -4.399 -6.877 2.622 434 HE1 PHE 73 HE2 PHE 73 -2.476 -6.014 -1.832 435 HE2 PHE 73 HE1 PHE 73 -5.904 -6.498 0.693 436 HZ PHE 73 HZ PHE 73 -4.932 -6.238 -1.594 437 H GLY 74 H GLY 74 -0.502 -10.708 0.883 438 1HA GLY 74 HA2 GLY 74 -0.239 -12.904 1.593 439 2HA GLY 74 HA1 GLY 74 0.570 -12.212 3.020 440 H THR 75 H THR 75 -0.581 -14.055 4.177 441 HA THR 75 HA THR 75 -3.437 -13.879 4.497 442 HB THR 75 HB THR 75 -2.341 -15.930 5.248 443 HG1 THR 75 HG1 THR 75 -4.287 -15.185 6.402 444 1HG2 THR 75 HG21 THR 75 -0.949 -14.182 7.383 445 2HG2 THR 75 HG22 THR 75 -1.081 -15.961 7.444 446 3HG2 THR 75 HG23 THR 75 -0.147 -15.194 6.138 447 H LYS 76 H LYS 76 -0.656 -12.067 5.942 448 HA LYS 76 HA LYS 76 -2.011 -11.044 8.153 449 1HB LYS 76 HB2 LYS 76 0.473 -10.301 6.811 450 2HB LYS 76 HB1 LYS 76 -0.491 -8.833 6.919 451 1HG LYS 76 HG2 LYS 76 0.834 -8.861 8.867 452 2HG LYS 76 HG1 LYS 76 -0.795 -9.294 9.434 453 1HD LYS 76 HD2 LYS 76 -0.148 -11.699 9.530 454 2HD LYS 76 HD1 LYS 76 1.440 -11.352 8.798 455 1HE LYS 76 HE2 LYS 76 0.537 -10.191 11.504 456 2HE LYS 76 HE1 LYS 76 1.421 -11.729 11.329 457 1HZ LYS 76 HZ2 LYS 76 3.297 -10.552 10.267 458 2HZ LYS 76 HZ3 LYS 76 2.501 -9.019 10.487 459 3HZ LYS 76 HZ1 LYS 76 2.969 -9.943 11.863 460 H SER 77 H SER 77 -2.549 -10.240 4.713 461 HA SER 77 HA SER 77 -3.884 -7.904 4.764 462 1HB SER 77 HB2 SER 77 -5.570 -8.886 3.138 463 2HB SER 77 HB1 SER 77 -3.934 -9.476 2.756 464 HG SER 77 HG SER 77 -4.543 -11.456 3.910 465 H ASP 78 H ASP 78 -5.295 -10.795 6.532 466 HA ASP 78 HA ASP 78 -7.815 -9.424 6.765 467 1HB ASP 78 HB2 ASP 78 -7.417 -11.840 7.329 468 2HB ASP 78 HB1 ASP 78 -6.575 -11.330 8.824 469 H ASN 79 H ASN 79 -4.796 -9.413 8.836 470 HA ASN 79 HA ASN 79 -5.941 -7.595 10.742 471 1HB ASN 79 HB2 ASN 79 -3.913 -9.120 11.137 472 2HB ASN 79 HB1 ASN 79 -2.941 -7.983 10.173 473 1HD2 ASN 79 HD21 ASN 79 -2.658 -5.755 13.025 474 2HD2 ASN 79 HD22 ASN 79 -2.048 -6.158 11.466 475 H LEU 80 H LEU 80 -3.958 -7.076 7.719 476 HA LEU 80 HA LEU 80 -3.670 -4.226 8.377 477 1HB LEU 80 HB2 LEU 80 -3.158 -5.480 5.641 478 2HB LEU 80 HB1 LEU 80 -2.559 -3.930 6.290 479 HG LEU 80 HG LEU 80 -1.744 -6.786 7.105 480 1HD1 LEU 80 HD12 LEU 80 -0.585 -5.825 5.105 481 2HD1 LEU 80 HD13 LEU 80 -0.062 -4.435 6.096 482 3HD1 LEU 80 HD11 LEU 80 0.534 -6.077 6.463 483 1HD2 LEU 80 HD22 LEU 80 -0.962 -4.176 8.551 484 2HD2 LEU 80 HD23 LEU 80 -1.887 -5.540 9.237 485 3HD2 LEU 80 HD21 LEU 80 -0.184 -5.769 8.801 486 H LYS 81 H LYS 81 -5.878 -6.259 6.297 487 HA LYS 81 HA LYS 81 -7.370 -4.075 5.284 488 1HB LYS 81 HB2 LYS 81 -8.249 -6.905 6.086 489 2HB LYS 81 HB1 LYS 81 -9.416 -5.753 5.514 490 1HG LYS 81 HG2 LYS 81 -7.032 -5.805 3.693 491 2HG LYS 81 HG1 LYS 81 -7.776 -7.396 3.844 492 1HD LYS 81 HD2 LYS 81 -8.597 -5.931 1.917 493 2HD LYS 81 HD1 LYS 81 -9.857 -6.709 2.903 494 1HE LYS 81 HE2 LYS 81 -10.558 -4.652 3.900 495 2HE LYS 81 HE1 LYS 81 -9.030 -3.829 3.505 496 1HZ LYS 81 HZ3 LYS 81 -11.088 -4.773 1.483 497 2HZ LYS 81 HZ1 LYS 81 -10.966 -3.148 2.092 498 3HZ LYS 81 HZ2 LYS 81 -9.668 -3.809 1.147 499 H THR 82 H THR 82 -7.456 -5.601 8.597 500 HA THR 82 HA THR 82 -9.772 -4.120 9.401 501 HB THR 82 HB THR 82 -7.487 -5.377 10.982 502 HG1 THR 82 HG1 THR 82 -9.348 -6.643 10.210 503 1HG2 THR 82 HG21 THR 82 -9.702 -3.581 12.119 504 2HG2 THR 82 HG22 THR 82 -8.720 -4.735 13.076 505 3HG2 THR 82 HG23 THR 82 -7.926 -3.349 12.275 506 H GLU 83 H GLU 83 -6.193 -3.189 9.540 507 HA GLU 83 HA GLU 83 -6.891 -0.697 10.777 508 1HB GLU 83 HB2 GLU 83 -4.660 -0.034 10.633 509 2HB GLU 83 HB1 GLU 83 -4.512 -1.808 10.547 510 1HG GLU 83 HG2 GLU 83 -4.501 -1.434 7.924 511 2HG GLU 83 HG1 GLU 83 -4.328 0.291 8.266 512 H MET 84 H MET 84 -6.740 -1.776 7.277 513 HA MET 84 HA MET 84 -6.859 0.911 6.330 514 1HB MET 84 HB2 MET 84 -7.795 -1.623 4.875 515 2HB MET 84 HB1 MET 84 -7.686 0.017 4.167 516 1HG MET 84 HG2 MET 84 -5.171 0.021 4.800 517 2HG MET 84 HG1 MET 84 -5.340 -1.738 5.085 518 1HE MET 84 HE2 MET 84 -6.585 -3.279 3.018 519 2HE MET 84 HE3 MET 84 -7.734 -2.020 2.423 520 3HE MET 84 HE1 MET 84 -6.546 -2.754 1.306 521 H ASP 85 H ASP 85 -9.345 -1.643 7.199 522 HA ASP 85 HA ASP 85 -11.620 -0.361 6.305 523 1HB ASP 85 HB2 ASP 85 -11.806 -2.536 7.395 524 2HB ASP 85 HB1 ASP 85 -11.325 -1.847 8.967 525 H GLU 86 H GLU 86 -9.917 0.135 9.541 526 HA GLU 86 HA GLU 86 -11.590 2.242 10.350 527 1HB GLU 86 HB2 GLU 86 -8.644 1.681 10.994 528 2HB GLU 86 HB1 GLU 86 -9.447 3.162 11.588 529 1HG GLU 86 HG2 GLU 86 -11.224 1.843 12.708 530 2HG GLU 86 HG1 GLU 86 -10.457 0.318 12.170 531 H TYR 87 H TYR 87 -8.490 2.467 8.375 532 HA TYR 87 HA TYR 87 -8.408 5.196 8.186 533 1HB TYR 87 HB1 TYR 87 -6.669 4.333 6.859 534 2HB TYR 87 HB2 TYR 87 -7.664 3.027 6.296 535 HD1 TYR 87 HD2 TYR 87 -8.245 6.739 5.664 536 HD2 TYR 87 HD1 TYR 87 -7.538 2.821 4.006 537 HE1 TYR 87 HE2 TYR 87 -8.426 7.661 3.406 538 HE2 TYR 87 HE1 TYR 87 -7.706 3.756 1.749 539 HH TYR 87 HH TYR 87 -8.519 5.675 0.483 540 H ILE 88 H ILE 88 -10.402 3.159 5.881 541 HA ILE 88 HA ILE 88 -11.340 5.516 4.587 542 HB ILE 88 HB ILE 88 -13.012 2.958 4.679 543 1HG1 ILE 88 HG12 ILE 88 -11.505 2.943 2.222 544 2HG1 ILE 88 HG11 ILE 88 -10.318 3.386 3.448 545 1HG2 ILE 88 HG22 ILE 88 -14.106 4.998 3.715 546 2HG2 ILE 88 HG23 ILE 88 -12.752 5.180 2.559 547 3HG2 ILE 88 HG21 ILE 88 -13.828 3.754 2.469 548 1HD1 ILE 88 HD12 ILE 88 -11.218 1.306 4.786 549 2HD1 ILE 88 HD13 ILE 88 -12.081 0.856 3.311 550 3HD1 ILE 88 HD11 ILE 88 -10.291 0.951 3.309 551 H ARG 89 H ARG 89 -12.725 3.559 7.351 552 HA ARG 89 HA ARG 89 -15.073 5.195 7.518 553 1HB ARG 89 HB2 ARG 89 -13.749 3.696 9.855 554 2HB ARG 89 HB1 ARG 89 -15.418 4.284 9.737 555 1HG ARG 89 HG2 ARG 89 -15.193 2.643 7.416 556 2HG ARG 89 HG1 ARG 89 -14.179 1.799 8.611 557 1HD ARG 89 HD2 ARG 89 -17.191 2.307 8.704 558 2HD ARG 89 HD1 ARG 89 -16.313 0.814 8.777 559 HE ARG 89 HE ARG 89 -15.593 1.091 10.984 560 1HH1 ARG 89 HH12 ARG 89 -17.776 3.865 10.050 561 2HH1 ARG 89 HH11 ARG 89 -18.059 4.250 11.731 562 1HH2 ARG 89 HH22 ARG 89 -16.039 1.726 13.065 563 2HH2 ARG 89 HH21 ARG 89 -17.104 3.092 13.392 564 H ASN 90 H ASN 90 -11.728 5.690 8.677 565 HA ASN 90 HA ASN 90 -12.450 7.869 10.484 566 1HB ASN 90 HB2 ASN 90 -10.392 6.450 10.825 567 2HB ASN 90 HB1 ASN 90 -9.732 7.036 9.284 568 1HD2 ASN 90 HD21 ASN 90 -9.738 9.548 12.595 569 2HD2 ASN 90 HD22 ASN 90 -10.794 8.183 12.593 570 H PHE 91 H PHE 91 -11.796 7.509 6.962 571 HA PHE 91 HA PHE 91 -11.821 10.513 6.748 572 1HB PHE 91 HB2 PHE 91 -9.718 8.637 6.123 573 2HB PHE 91 HB1 PHE 91 -10.397 9.092 4.564 574 HD1 PHE 91 HD1 PHE 91 -11.020 11.859 4.563 575 HD2 PHE 91 HD2 PHE 91 -7.901 9.956 6.829 576 HE1 PHE 91 HE1 PHE 91 -9.699 13.958 4.539 577 HE2 PHE 91 HE2 PHE 91 -6.489 11.967 6.599 578 HZ PHE 91 HZ PHE 91 -7.402 13.998 5.489 579 H GLY 92 H GLY 92 -14.172 8.720 6.793 580 1HA GLY 92 HA2 GLY 92 -15.704 9.632 4.756 581 2HA GLY 92 HA1 GLY 92 -14.838 8.287 3.945 No H/Q in entry = 581 Start of MODEL 3 1 H MET 15 H MET 15 -2.756 7.152 11.499 2 HA MET 15 HA MET 15 -0.829 8.263 9.529 3 1HB MET 15 HB2 MET 15 -0.378 5.951 11.496 4 2HB MET 15 HB1 MET 15 0.803 6.555 10.301 5 1HG MET 15 HG2 MET 15 1.413 8.351 11.663 6 2HG MET 15 HG1 MET 15 -0.274 8.788 12.007 7 1HE MET 15 HE2 MET 15 -1.354 8.547 14.274 8 2HE MET 15 HE1 MET 15 -1.783 6.891 13.723 9 3HE MET 15 HE3 MET 15 -1.088 7.142 15.353 10 H ALA 16 H ALA 16 -2.535 5.047 10.374 11 HA ALA 16 HA ALA 16 -1.922 3.806 8.024 12 1HB ALA 16 HB3 ALA 16 -3.386 2.760 9.838 13 2HB ALA 16 HB2 ALA 16 -4.779 3.613 9.145 14 3HB ALA 16 HB1 ALA 16 -3.900 2.423 8.156 15 HA PRO 17 HA PRO 17 -5.321 5.943 5.427 16 1HB PRO 17 HB2 PRO 17 -6.308 8.420 6.145 17 2HB PRO 17 HB1 PRO 17 -6.951 6.873 6.764 18 1HG PRO 17 HG2 PRO 17 -5.054 8.672 8.261 19 2HG PRO 17 HG1 PRO 17 -6.575 7.933 8.838 20 1HD PRO 17 HD2 PRO 17 -4.159 6.772 9.364 21 2HD PRO 17 HD1 PRO 17 -5.603 5.750 9.029 22 H ALA 18 H ALA 18 -3.037 8.253 7.174 23 HA ALA 18 HA ALA 18 -2.477 9.730 4.768 24 1HB ALA 18 HB3 ALA 18 -1.876 10.578 7.076 25 2HB ALA 18 HB2 ALA 18 -0.651 9.274 7.212 26 3HB ALA 18 HB1 ALA 18 -0.464 10.551 5.971 27 H LEU 19 H LEU 19 -1.317 6.578 6.144 28 HA LEU 19 HA LEU 19 1.118 6.712 4.598 29 1HB LEU 19 HB2 LEU 19 0.590 5.390 6.888 30 2HB LEU 19 HB1 LEU 19 0.207 4.075 5.752 31 HG LEU 19 HG LEU 19 2.466 3.781 6.430 32 1HD1 LEU 19 HD12 LEU 19 2.143 3.610 3.978 33 2HD1 LEU 19 HD11 LEU 19 2.753 5.268 3.730 34 3HD1 LEU 19 HD13 LEU 19 3.820 4.033 4.418 35 1HD2 LEU 19 HD21 LEU 19 2.911 5.970 7.518 36 2HD2 LEU 19 HD23 LEU 19 4.250 5.489 6.449 37 3HD2 LEU 19 HD22 LEU 19 3.105 6.749 5.921 38 H VAL 20 H VAL 20 -1.818 4.381 4.505 39 HA VAL 20 HA VAL 20 -1.246 3.373 2.044 40 HB VAL 20 HB VAL 20 -3.247 2.691 3.426 41 1HG1 VAL 20 HG12 VAL 20 -4.238 5.010 3.632 42 2HG1 VAL 20 HG11 VAL 20 -4.717 4.946 1.914 43 3HG1 VAL 20 HG13 VAL 20 -5.420 3.796 3.085 44 1HG2 VAL 20 HG21 VAL 20 -2.872 1.717 1.151 45 2HG2 VAL 20 HG23 VAL 20 -4.612 1.930 1.469 46 3HG2 VAL 20 HG22 VAL 20 -3.756 3.080 0.408 47 H ALA 21 H ALA 21 -2.600 6.665 2.753 48 HA ALA 21 HA ALA 21 -3.197 7.224 0.063 49 1HB ALA 21 HB3 ALA 21 -4.097 8.668 1.858 50 2HB ALA 21 HB2 ALA 21 -2.445 9.234 2.255 51 3HB ALA 21 HB1 ALA 21 -3.176 9.644 0.679 52 H ALA 22 H ALA 22 -0.182 7.683 2.069 53 HA ALA 22 HA ALA 22 1.310 9.267 0.496 54 1HB ALA 22 HB3 ALA 22 2.172 8.206 2.636 55 2HB ALA 22 HB2 ALA 22 2.425 6.681 1.732 56 3HB ALA 22 HB1 ALA 22 3.361 8.138 1.309 57 H PHE 23 H PHE 23 0.489 5.861 -0.408 58 HA PHE 23 HA PHE 23 2.087 6.307 -2.911 59 1HB PHE 23 HB2 PHE 23 3.095 4.726 -1.254 60 2HB PHE 23 HB1 PHE 23 1.713 3.594 -1.622 61 HD1 PHE 23 HD2 PHE 23 2.906 5.231 -4.689 62 HD2 PHE 23 HD1 PHE 23 3.690 2.114 -1.794 63 HE1 PHE 23 HE2 PHE 23 4.365 4.068 -6.243 64 HE2 PHE 23 HE1 PHE 23 5.213 1.029 -3.370 65 HZ PHE 23 HZ PHE 23 5.746 2.143 -5.559 66 H GLY 24 H GLY 24 -0.692 4.244 -1.508 67 1HA GLY 24 HA1 GLY 24 -1.812 3.847 -4.133 68 2HA GLY 24 HA2 GLY 24 -2.612 3.533 -2.573 69 H GLY 25 H GLY 25 -1.976 6.616 -1.884 70 1HA GLY 25 HA1 GLY 25 -4.440 7.617 -3.288 71 2HA GLY 25 HA2 GLY 25 -3.712 8.328 -1.845 72 H LYS 26 H LYS 26 -1.304 7.418 -4.263 73 HA LYS 26 HA LYS 26 -0.908 10.323 -4.819 74 1HB LYS 26 HB2 LYS 26 0.626 7.812 -5.614 75 2HB LYS 26 HB1 LYS 26 1.147 9.494 -5.984 76 1HG LYS 26 HG2 LYS 26 0.799 8.251 -3.200 77 2HG LYS 26 HG1 LYS 26 2.333 8.360 -4.114 78 1HD LYS 26 HD2 LYS 26 1.291 11.041 -4.051 79 2HD LYS 26 HD1 LYS 26 0.955 10.403 -2.439 80 1HE LYS 26 HE2 LYS 26 3.772 9.732 -3.084 81 2HE LYS 26 HE1 LYS 26 3.478 11.421 -3.513 82 1HZ LYS 26 HZ2 LYS 26 2.552 11.755 -1.194 83 2HZ LYS 26 HZ1 LYS 26 3.022 10.093 -0.845 84 3HZ LYS 26 HZ3 LYS 26 4.217 11.251 -1.235 85 H GLU 27 H GLU 27 -3.168 10.231 -5.908 86 HA GLU 27 HA GLU 27 -3.779 8.424 -7.910 87 1HB GLU 27 HB2 GLU 27 -5.712 9.623 -8.129 88 2HB GLU 27 HB1 GLU 27 -5.054 10.804 -6.987 89 1HG GLU 27 HG2 GLU 27 -4.068 12.087 -8.952 90 2HG GLU 27 HG1 GLU 27 -4.829 10.893 -10.051 91 H ASN 28 H ASN 28 -1.673 11.319 -8.232 92 HA ASN 28 HA ASN 28 -1.398 11.592 -10.931 93 1HB ASN 28 HB2 ASN 28 -0.019 12.841 -9.253 94 2HB ASN 28 HB1 ASN 28 0.879 11.352 -8.854 95 1HD2 ASN 28 HD22 ASN 28 3.297 12.393 -11.298 96 2HD2 ASN 28 HD21 ASN 28 3.033 11.883 -9.673 97 H ILE 29 H ILE 29 -0.147 8.879 -9.021 98 HA ILE 29 HA ILE 29 1.548 7.492 -10.332 99 HB ILE 29 HB ILE 29 -1.167 6.819 -9.183 100 1HG1 ILE 29 HG12 ILE 29 -0.071 6.018 -7.330 101 2HG1 ILE 29 HG11 ILE 29 1.000 5.003 -8.274 102 1HG2 ILE 29 HG22 ILE 29 -1.335 5.299 -11.061 103 2HG2 ILE 29 HG21 ILE 29 0.126 4.453 -10.482 104 3HG2 ILE 29 HG23 ILE 29 -1.354 4.532 -9.468 105 1HD1 ILE 29 HD11 ILE 29 1.554 8.000 -7.776 106 2HD1 ILE 29 HD13 ILE 29 2.244 6.647 -6.847 107 3HD1 ILE 29 HD12 ILE 29 2.664 6.884 -8.539 108 H THR 30 H THR 30 1.779 5.522 -11.604 109 HA THR 30 HA THR 30 0.686 6.143 -14.311 110 HB THR 30 HB THR 30 2.825 6.539 -14.865 111 HG1 THR 30 HG1 THR 30 3.265 3.743 -14.588 112 1HG2 THR 30 HG22 THR 30 3.795 4.914 -12.508 113 2HG2 THR 30 HG21 THR 30 4.851 5.823 -13.628 114 3HG2 THR 30 HG23 THR 30 3.719 6.712 -12.561 115 H ASN 31 H ASN 31 1.777 3.053 -12.451 116 HA ASN 31 HA ASN 31 -0.685 1.931 -13.612 117 1HB ASN 31 HB2 ASN 31 1.244 -0.129 -14.218 118 2HB ASN 31 HB1 ASN 31 0.222 0.755 -15.350 119 1HD2 ASN 31 HD22 ASN 31 3.090 2.382 -16.726 120 2HD2 ASN 31 HD21 ASN 31 1.438 1.959 -16.942 121 H LEU 32 H LEU 32 -1.690 0.458 -12.203 122 HA LEU 32 HA LEU 32 0.034 -0.807 -10.063 123 1HB LEU 32 HB2 LEU 32 -2.776 0.451 -10.036 124 2HB LEU 32 HB1 LEU 32 -2.337 -0.767 -8.825 125 HG LEU 32 HG LEU 32 -0.803 0.618 -7.719 126 1HD1 LEU 32 HD11 LEU 32 -0.765 2.377 -10.218 127 2HD1 LEU 32 HD13 LEU 32 0.025 2.810 -8.639 128 3HD1 LEU 32 HD12 LEU 32 0.630 1.470 -9.587 129 1HD2 LEU 32 HD21 LEU 32 -3.120 1.391 -7.339 130 2HD2 LEU 32 HD23 LEU 32 -1.954 2.729 -7.218 131 3HD2 LEU 32 HD22 LEU 32 -2.955 2.559 -8.682 132 H ASP 33 H ASP 33 -1.032 -2.851 -9.224 133 HA ASP 33 HA ASP 33 -2.764 -4.221 -11.252 134 1HB ASP 33 HB2 ASP 33 -0.035 -5.105 -10.309 135 2HB ASP 33 HB1 ASP 33 -1.286 -6.348 -10.540 136 H ALA 34 H ALA 34 -4.397 -3.460 -9.629 137 HA ALA 34 HA ALA 34 -4.266 -4.420 -6.926 138 1HB ALA 34 HB3 ALA 34 -5.726 -2.555 -7.513 139 2HB ALA 34 HB2 ALA 34 -6.727 -3.644 -8.527 140 3HB ALA 34 HB1 ALA 34 -6.650 -3.887 -6.752 141 H CYS 35 H CYS 35 -5.411 -6.339 -5.969 142 HA CYS 35 HA CYS 35 -6.899 -8.094 -7.695 143 1HB CYS 35 HB2 CYS 35 -4.202 -8.392 -8.275 144 2HB CYS 35 HB1 CYS 35 -4.335 -9.392 -6.819 145 HG CYS 35 HG CYS 35 -4.728 -10.855 -8.801 146 H ILE 36 H ILE 36 -7.085 -10.437 -6.523 147 HA ILE 36 HA ILE 36 -8.600 -10.148 -4.457 148 HB ILE 36 HB ILE 36 -8.302 -12.390 -3.628 149 1HG1 ILE 36 HG12 ILE 36 -6.027 -13.059 -3.598 150 2HG1 ILE 36 HG11 ILE 36 -6.766 -14.040 -4.829 151 1HG2 ILE 36 HG22 ILE 36 -9.624 -11.903 -5.728 152 2HG2 ILE 36 HG21 ILE 36 -8.229 -12.446 -6.703 153 3HG2 ILE 36 HG23 ILE 36 -9.033 -13.574 -5.594 154 1HD1 ILE 36 HD11 ILE 36 -5.062 -11.547 -5.536 155 2HD1 ILE 36 HD13 ILE 36 -4.511 -13.230 -5.493 156 3HD1 ILE 36 HD12 ILE 36 -5.763 -12.729 -6.663 157 H THR 37 H THR 37 -5.166 -11.030 -3.337 158 HA THR 37 HA THR 37 -5.679 -9.160 -1.059 159 HB THR 37 HB THR 37 -5.974 -11.495 -0.263 160 HG1 THR 37 HG1 THR 37 -4.303 -11.231 1.370 161 1HG2 THR 37 HG22 THR 37 -3.115 -11.937 -1.385 162 2HG2 THR 37 HG21 THR 37 -3.876 -12.984 -0.163 163 3HG2 THR 37 HG23 THR 37 -4.595 -12.856 -1.775 164 H ARG 38 H ARG 38 -4.538 -8.698 -3.754 165 HA ARG 38 HA ARG 38 -1.711 -8.272 -2.995 166 1HB ARG 38 HB2 ARG 38 -1.450 -10.272 -4.293 167 2HB ARG 38 HB1 ARG 38 -2.841 -9.953 -5.276 168 1HG ARG 38 HG2 ARG 38 -1.704 -8.191 -6.589 169 2HG ARG 38 HG1 ARG 38 -0.331 -8.203 -5.473 170 1HD ARG 38 HD2 ARG 38 0.427 -9.328 -7.377 171 2HD ARG 38 HD1 ARG 38 0.113 -10.636 -6.180 172 HE ARG 38 HE ARG 38 -2.201 -10.339 -7.813 173 1HH1 ARG 38 HH11 ARG 38 1.243 -11.335 -8.148 174 2HH1 ARG 38 HH12 ARG 38 0.888 -12.359 -9.530 175 1HH2 ARG 38 HH21 ARG 38 -2.556 -11.689 -9.591 176 2HH2 ARG 38 HH22 ARG 38 -1.220 -12.567 -10.329 177 H LEU 39 H LEU 39 -0.970 -6.184 -3.652 178 HA LEU 39 HA LEU 39 -2.421 -5.055 -5.889 179 1HB LEU 39 HB2 LEU 39 -3.212 -3.006 -4.779 180 2HB LEU 39 HB1 LEU 39 -3.879 -4.424 -3.953 181 HG LEU 39 HG LEU 39 -1.725 -4.050 -2.385 182 1HD1 LEU 39 HD12 LEU 39 -0.880 -1.966 -3.623 183 2HD1 LEU 39 HD11 LEU 39 -2.413 -1.161 -3.228 184 3HD1 LEU 39 HD13 LEU 39 -1.282 -1.615 -1.926 185 1HD2 LEU 39 HD21 LEU 39 -4.180 -4.046 -1.622 186 2HD2 LEU 39 HD23 LEU 39 -3.269 -2.775 -0.784 187 3HD2 LEU 39 HD22 LEU 39 -4.343 -2.361 -2.146 188 H ARG 40 H ARG 40 -0.816 -4.098 -7.267 189 HA ARG 40 HA ARG 40 1.866 -3.735 -5.977 190 1HB ARG 40 HB2 ARG 40 1.164 -3.786 -8.929 191 2HB ARG 40 HB1 ARG 40 2.747 -3.941 -8.191 192 1HG ARG 40 HG2 ARG 40 1.724 -6.083 -6.984 193 2HG ARG 40 HG1 ARG 40 0.496 -6.090 -8.220 194 1HD ARG 40 HD2 ARG 40 3.511 -5.980 -8.850 195 2HD ARG 40 HD1 ARG 40 2.818 -7.532 -8.391 196 HE ARG 40 HE ARG 40 1.113 -7.227 -10.244 197 1HH1 ARG 40 HH11 ARG 40 4.673 -6.479 -10.551 198 2HH1 ARG 40 HH12 ARG 40 4.624 -6.826 -12.263 199 1HH2 ARG 40 HH21 ARG 40 1.233 -7.657 -12.410 200 2HH2 ARG 40 HH22 ARG 40 2.751 -7.501 -13.286 201 H VAL 41 H VAL 41 3.195 -1.839 -6.915 202 HA VAL 41 HA VAL 41 1.468 0.349 -7.848 203 HB VAL 41 HB VAL 41 3.313 0.931 -5.581 204 1HG1 VAL 41 HG12 VAL 41 2.087 2.846 -6.848 205 2HG1 VAL 41 HG11 VAL 41 0.543 2.096 -6.380 206 3HG1 VAL 41 HG13 VAL 41 1.594 2.741 -5.133 207 1HG2 VAL 41 HG21 VAL 41 2.105 -0.901 -4.582 208 2HG2 VAL 41 HG23 VAL 41 1.618 0.630 -3.846 209 3HG2 VAL 41 HG22 VAL 41 0.536 -0.162 -5.021 210 H SER 42 H SER 42 2.722 -0.283 -9.924 211 HA SER 42 HA SER 42 5.568 0.267 -9.885 212 1HB SER 42 HB2 SER 42 4.923 -1.230 -11.642 213 2HB SER 42 HB1 SER 42 3.593 -0.185 -12.174 214 HG SER 42 HG SER 42 6.311 0.561 -12.560 215 H VAL 43 H VAL 43 6.459 2.328 -9.444 216 HA VAL 43 HA VAL 43 5.621 4.371 -11.351 217 HB VAL 43 HB VAL 43 4.884 5.998 -9.721 218 1HG1 VAL 43 HG11 VAL 43 3.931 3.272 -8.613 219 2HG1 VAL 43 HG13 VAL 43 3.281 4.789 -8.124 220 3HG1 VAL 43 HG12 VAL 43 3.110 4.294 -9.821 221 1HG2 VAL 43 HG22 VAL 43 6.233 4.324 -7.528 222 2HG2 VAL 43 HG21 VAL 43 6.857 5.859 -8.139 223 3HG2 VAL 43 HG23 VAL 43 5.328 5.874 -7.272 224 H ALA 44 H ALA 44 6.901 6.424 -11.233 225 HA ALA 44 HA ALA 44 9.713 5.777 -10.425 226 1HB ALA 44 HB3 ALA 44 9.313 6.386 -12.815 227 2HB ALA 44 HB2 ALA 44 8.636 7.961 -12.296 228 3HB ALA 44 HB1 ALA 44 10.355 7.576 -11.977 229 H ASP 45 H ASP 45 6.937 7.835 -9.370 230 HA ASP 45 HA ASP 45 8.501 9.816 -8.038 231 1HB ASP 45 HB2 ASP 45 5.894 8.489 -7.085 232 2HB ASP 45 HB1 ASP 45 6.616 9.981 -6.428 233 H VAL 46 H VAL 46 10.492 8.380 -7.504 234 HA VAL 46 HA VAL 46 9.990 6.974 -4.925 235 HB VAL 46 HB VAL 46 10.787 5.478 -6.737 236 1HG1 VAL 46 HG12 VAL 46 12.388 6.968 -7.927 237 2HG1 VAL 46 HG11 VAL 46 13.455 7.021 -6.497 238 3HG1 VAL 46 HG13 VAL 46 13.198 5.488 -7.361 239 1HG2 VAL 46 HG21 VAL 46 11.060 4.888 -4.325 240 2HG2 VAL 46 HG23 VAL 46 12.424 4.278 -5.292 241 3HG2 VAL 46 HG22 VAL 46 12.638 5.720 -4.272 242 H SER 47 H SER 47 9.978 9.831 -5.160 243 HA SER 47 HA SER 47 12.673 10.790 -4.691 244 1HB SER 47 HB2 SER 47 10.989 12.287 -5.663 245 2HB SER 47 HB1 SER 47 9.958 12.167 -4.227 246 HG SER 47 HG SER 47 12.600 13.293 -4.217 247 H LYS 48 H LYS 48 9.764 10.664 -2.512 248 HA LYS 48 HA LYS 48 11.481 9.361 -0.432 249 1HB LYS 48 HB2 LYS 48 10.457 10.968 1.288 250 2HB LYS 48 HB1 LYS 48 11.612 11.699 0.153 251 1HG LYS 48 HG2 LYS 48 9.594 13.142 0.552 252 2HG LYS 48 HG1 LYS 48 9.860 12.732 -1.162 253 1HD LYS 48 HD2 LYS 48 7.987 11.098 -1.105 254 2HD LYS 48 HD1 LYS 48 7.838 11.276 0.662 255 1HE LYS 48 HE2 LYS 48 6.105 12.512 -0.702 256 2HE LYS 48 HE1 LYS 48 7.013 13.590 0.381 257 1HZ LYS 48 HZ1 LYS 48 7.699 13.227 -2.556 258 2HZ LYS 48 HZ3 LYS 48 6.610 14.446 -1.975 259 3HZ LYS 48 HZ2 LYS 48 8.268 14.473 -1.466 260 H VAL 49 H VAL 49 8.828 8.707 -2.243 261 HA VAL 49 HA VAL 49 6.662 8.405 -0.763 262 HB VAL 49 HB VAL 49 6.868 7.530 -3.046 263 1HG1 VAL 49 HG11 VAL 49 8.681 5.303 -1.921 264 2HG1 VAL 49 HG13 VAL 49 8.015 5.365 -3.580 265 3HG1 VAL 49 HG12 VAL 49 9.137 6.596 -2.953 266 1HG2 VAL 49 HG22 VAL 49 5.828 5.438 -1.035 267 2HG2 VAL 49 HG21 VAL 49 4.942 6.721 -1.883 268 3HG2 VAL 49 HG23 VAL 49 5.602 5.341 -2.805 269 H ASP 50 H ASP 50 5.911 7.239 1.134 270 HA ASP 50 HA ASP 50 8.114 6.025 2.713 271 1HB ASP 50 HB2 ASP 50 6.549 7.756 3.638 272 2HB ASP 50 HB1 ASP 50 5.208 6.588 3.524 273 H GLN 51 H GLN 51 8.229 4.182 0.986 274 HA GLN 51 HA GLN 51 5.914 2.367 0.951 275 1HB GLN 51 HB2 GLN 51 8.737 1.790 -0.045 276 2HB GLN 51 HB1 GLN 51 7.281 0.819 -0.380 277 1HG GLN 51 HG2 GLN 51 6.224 2.624 -1.620 278 2HG GLN 51 HG1 GLN 51 7.422 3.767 -1.115 279 1HE2 GLN 51 HE22 GLN 51 9.986 2.382 -3.466 280 2HE2 GLN 51 HE21 GLN 51 9.971 2.644 -1.771 281 H ALA 52 H ALA 52 9.245 2.549 2.435 282 HA ALA 52 HA ALA 52 9.316 0.099 3.689 283 1HB ALA 52 HB3 ALA 52 11.180 1.734 3.826 284 2HB ALA 52 HB2 ALA 52 10.193 2.795 4.881 285 3HB ALA 52 HB1 ALA 52 10.709 1.176 5.461 286 H GLY 53 H GLY 53 7.244 2.973 4.546 287 1HA GLY 53 HA1 GLY 53 6.183 1.561 6.929 288 2HA GLY 53 HA2 GLY 53 5.599 3.097 6.259 289 H LEU 54 H LEU 54 5.222 2.261 3.464 290 HA LEU 54 HA LEU 54 2.564 1.384 3.948 291 1HB LEU 54 HB2 LEU 54 3.586 2.807 1.963 292 2HB LEU 54 HB1 LEU 54 3.761 1.265 1.121 293 HG LEU 54 HG LEU 54 1.010 1.675 2.282 294 1HD1 LEU 54 HD11 LEU 54 2.169 3.884 0.570 295 2HD1 LEU 54 HD13 LEU 54 0.435 3.461 0.450 296 3HD1 LEU 54 HD12 LEU 54 1.180 3.940 1.985 297 1HD2 LEU 54 HD21 LEU 54 1.462 -0.108 0.577 298 2HD2 LEU 54 HD23 LEU 54 0.219 1.044 0.038 299 3HD2 LEU 54 HD22 LEU 54 1.868 1.156 -0.611 300 H LYS 55 H LYS 55 5.486 -0.504 3.457 301 HA LYS 55 HA LYS 55 3.949 -2.717 2.385 302 1HB LYS 55 HB2 LYS 55 5.927 -3.844 2.071 303 2HB LYS 55 HB1 LYS 55 6.560 -2.176 2.044 304 1HG LYS 55 HG2 LYS 55 6.667 -4.312 4.310 305 2HG LYS 55 HG1 LYS 55 7.916 -3.975 3.086 306 1HD LYS 55 HD2 LYS 55 7.642 -1.467 4.071 307 2HD LYS 55 HD1 LYS 55 7.287 -2.383 5.555 308 1HE LYS 55 HE2 LYS 55 9.811 -2.595 3.783 309 2HE LYS 55 HE1 LYS 55 9.696 -1.869 5.407 310 1HZ LYS 55 HZ2 LYS 55 9.101 -4.115 6.313 311 2HZ LYS 55 HZ1 LYS 55 9.332 -4.831 4.748 312 3HZ LYS 55 HZ3 LYS 55 10.669 -4.092 5.561 313 H LYS 56 H LYS 56 5.012 -1.686 5.554 314 HA LYS 56 HA LYS 56 3.940 -4.243 6.699 315 1HB LYS 56 HB2 LYS 56 5.070 -3.680 8.746 316 2HB LYS 56 HB1 LYS 56 6.205 -3.611 7.369 317 1HG LYS 56 HG2 LYS 56 5.876 -1.004 7.417 318 2HG LYS 56 HG1 LYS 56 4.960 -1.246 8.912 319 1HD LYS 56 HD2 LYS 56 7.931 -1.979 8.351 320 2HD LYS 56 HD1 LYS 56 7.329 -0.554 9.227 321 1HE LYS 56 HE2 LYS 56 7.804 -1.859 11.075 322 2HE LYS 56 HE1 LYS 56 6.150 -2.447 10.791 323 1HZ LYS 56 HZ2 LYS 56 7.212 -4.398 9.527 324 2HZ LYS 56 HZ1 LYS 56 8.771 -3.737 9.914 325 3HZ LYS 56 HZ3 LYS 56 7.712 -4.284 11.179 326 H LEU 57 H LEU 57 3.011 -0.836 6.276 327 HA LEU 57 HA LEU 57 0.891 -1.213 8.333 328 1HB LEU 57 HB2 LEU 57 2.645 0.808 8.151 329 2HB LEU 57 HB1 LEU 57 1.541 1.385 6.882 330 HG LEU 57 HG LEU 57 1.067 0.928 9.909 331 1HD1 LEU 57 HD12 LEU 57 2.094 3.125 9.099 332 2HD1 LEU 57 HD11 LEU 57 0.616 3.384 8.127 333 3HD1 LEU 57 HD13 LEU 57 0.512 3.366 9.902 334 1HD2 LEU 57 HD22 LEU 57 -1.124 1.477 7.822 335 2HD2 LEU 57 HD21 LEU 57 -1.020 0.085 8.960 336 3HD2 LEU 57 HD23 LEU 57 -1.305 1.704 9.592 337 H GLY 58 H GLY 58 1.402 -0.462 4.752 338 1HA GLY 58 HA1 GLY 58 -1.521 -0.115 4.404 339 2HA GLY 58 HA2 GLY 58 -0.272 0.039 3.165 340 H ALA 59 H ALA 59 1.207 -2.260 3.198 341 HA ALA 59 HA ALA 59 -0.833 -4.392 2.608 342 1HB ALA 59 HB3 ALA 59 0.144 -3.244 0.598 343 2HB ALA 59 HB2 ALA 59 1.781 -3.642 1.190 344 3HB ALA 59 HB1 ALA 59 0.677 -4.939 0.658 345 H ALA 60 H ALA 60 1.236 -6.472 2.313 346 HA ALA 60 HA ALA 60 2.826 -6.369 4.795 347 1HB ALA 60 HB3 ALA 60 0.495 -7.157 5.529 348 2HB ALA 60 HB2 ALA 60 0.836 -8.707 4.757 349 3HB ALA 60 HB1 ALA 60 1.914 -8.110 6.033 350 H GLY 61 H GLY 61 4.023 -6.339 2.491 351 1HA GLY 61 HA1 GLY 61 5.857 -8.208 2.313 352 2HA GLY 61 HA2 GLY 61 4.519 -9.162 1.637 353 H VAL 62 H VAL 62 6.310 -5.991 1.154 354 HA VAL 62 HA VAL 62 5.469 -6.198 -1.718 355 HB VAL 62 HB VAL 62 5.326 -3.807 -1.862 356 1HG1 VAL 62 HG11 VAL 62 4.265 -4.504 0.893 357 2HG1 VAL 62 HG13 VAL 62 4.133 -2.873 0.127 358 3HG1 VAL 62 HG12 VAL 62 3.388 -4.306 -0.543 359 1HG2 VAL 62 HG22 VAL 62 7.390 -3.608 0.321 360 2HG2 VAL 62 HG21 VAL 62 7.468 -3.156 -1.381 361 3HG2 VAL 62 HG23 VAL 62 6.438 -2.206 -0.304 362 H VAL 63 H VAL 63 7.035 -5.095 -3.249 363 HA VAL 63 HA VAL 63 9.808 -5.510 -2.324 364 HB VAL 63 HB VAL 63 10.188 -7.475 -3.408 365 1HG1 VAL 63 HG11 VAL 63 7.155 -7.509 -3.921 366 2HG1 VAL 63 HG13 VAL 63 8.247 -8.889 -4.172 367 3HG1 VAL 63 HG12 VAL 63 8.030 -8.209 -2.545 368 1HG2 VAL 63 HG22 VAL 63 8.841 -6.350 -5.927 369 2HG2 VAL 63 HG21 VAL 63 10.570 -6.292 -5.513 370 3HG2 VAL 63 HG23 VAL 63 9.776 -7.856 -5.821 371 H VAL 64 H VAL 64 11.243 -4.017 -3.412 372 HA VAL 64 HA VAL 64 9.786 -2.187 -5.299 373 HB VAL 64 HB VAL 64 12.198 -1.641 -3.523 374 1HG1 VAL 64 HG12 VAL 64 11.986 -0.229 -5.651 375 2HG1 VAL 64 HG11 VAL 64 10.394 0.336 -5.067 376 3HG1 VAL 64 HG13 VAL 64 11.866 0.722 -4.143 377 1HG2 VAL 64 HG21 VAL 64 10.127 -2.017 -2.133 378 2HG2 VAL 64 HG23 VAL 64 10.658 -0.314 -2.083 379 3HG2 VAL 64 HG22 VAL 64 9.264 -0.779 -3.089 380 H ALA 65 H ALA 65 10.579 -2.282 -7.474 381 HA ALA 65 HA ALA 65 13.387 -3.298 -7.866 382 1HB ALA 65 HB2 ALA 65 10.813 -4.326 -9.225 383 2HB ALA 65 HB1 ALA 65 12.484 -4.778 -9.675 384 3HB ALA 65 HB3 ALA 65 11.827 -5.239 -8.076 385 H GLY 66 H GLY 66 14.047 -1.062 -8.495 386 1HA GLY 66 HA1 GLY 66 12.829 0.871 -9.771 387 2HA GLY 66 HA2 GLY 66 14.434 0.377 -10.352 388 H SER 67 H SER 67 11.223 0.887 -11.454 389 HA SER 67 HA SER 67 10.776 0.459 -13.836 390 1HB SER 67 HB2 SER 67 11.659 -2.422 -13.255 391 2HB SER 67 HB1 SER 67 10.776 -1.853 -14.701 392 HG SER 67 HG SER 67 13.105 -1.845 -15.065 393 H GLY 68 H GLY 68 10.131 -1.251 -10.726 394 1HA GLY 68 HA1 GLY 68 7.398 -0.687 -10.977 395 2HA GLY 68 HA2 GLY 68 7.629 -2.411 -11.408 396 H VAL 69 H VAL 69 6.091 -1.757 -9.109 397 HA VAL 69 HA VAL 69 7.946 -2.573 -6.914 398 HB VAL 69 HB VAL 69 5.827 -0.418 -6.627 399 1HG1 VAL 69 HG11 VAL 69 7.633 -1.820 -4.561 400 2HG1 VAL 69 HG13 VAL 69 6.933 -0.232 -4.258 401 3HG1 VAL 69 HG12 VAL 69 5.869 -1.637 -4.573 402 1HG2 VAL 69 HG22 VAL 69 8.880 -0.268 -6.794 403 2HG2 VAL 69 HG21 VAL 69 7.671 0.564 -7.797 404 3HG2 VAL 69 HG23 VAL 69 7.911 1.057 -6.106 405 H GLN 70 H GLN 70 7.067 -4.543 -6.197 406 HA GLN 70 HA GLN 70 4.205 -5.072 -6.852 407 1HB GLN 70 HB2 GLN 70 5.629 -6.843 -7.540 408 2HB GLN 70 HB1 GLN 70 6.571 -6.790 -6.039 409 1HG GLN 70 HG2 GLN 70 4.686 -7.555 -4.689 410 2HG GLN 70 HG1 GLN 70 3.684 -7.656 -6.177 411 1HE2 GLN 70 HE22 GLN 70 5.443 -10.612 -7.437 412 2HE2 GLN 70 HE21 GLN 70 4.640 -9.182 -7.974 413 H ALA 71 H ALA 71 2.719 -5.769 -5.056 414 HA ALA 71 HA ALA 71 3.659 -5.288 -2.487 415 1HB ALA 71 HB2 ALA 71 2.058 -3.041 -3.740 416 2HB ALA 71 HB1 ALA 71 1.609 -3.491 -2.074 417 3HB ALA 71 HB3 ALA 71 3.253 -2.924 -2.499 418 H ILE 72 H ILE 72 2.659 -6.586 -0.906 419 HA ILE 72 HA ILE 72 0.153 -7.833 -1.762 420 HB ILE 72 HB ILE 72 2.921 -9.007 -1.938 421 1HG1 ILE 72 HG12 ILE 72 1.203 -10.797 -3.347 422 2HG1 ILE 72 HG11 ILE 72 0.410 -9.229 -3.490 423 1HG2 ILE 72 HG21 ILE 72 0.810 -10.785 -0.643 424 2HG2 ILE 72 HG23 ILE 72 2.369 -11.328 -1.321 425 3HG2 ILE 72 HG22 ILE 72 2.370 -10.210 0.049 426 1HD1 ILE 72 HD12 ILE 72 2.463 -8.200 -4.293 427 2HD1 ILE 72 HD11 ILE 72 3.330 -9.775 -4.187 428 3HD1 ILE 72 HD13 ILE 72 2.019 -9.547 -5.371 429 H PHE 73 H PHE 73 -0.925 -9.052 -0.069 430 HA PHE 73 HA PHE 73 0.307 -8.519 2.613 431 1HB PHE 73 HB2 PHE 73 -2.176 -8.166 3.320 432 2HB PHE 73 HB1 PHE 73 -1.191 -6.806 2.787 433 HD1 PHE 73 HD1 PHE 73 -1.194 -6.423 0.054 434 HD2 PHE 73 HD2 PHE 73 -4.453 -7.593 2.570 435 HE1 PHE 73 HE1 PHE 73 -2.752 -6.164 -1.837 436 HE2 PHE 73 HE2 PHE 73 -6.038 -7.159 0.735 437 HZ PHE 73 HZ PHE 73 -5.186 -6.517 -1.519 438 H GLY 74 H GLY 74 1.259 -10.560 2.048 439 1HA GLY 74 HA1 GLY 74 0.239 -12.774 1.094 440 2HA GLY 74 HA2 GLY 74 1.280 -12.835 2.523 441 H THR 75 H THR 75 0.357 -13.461 4.562 442 HA THR 75 HA THR 75 -2.579 -14.058 4.498 443 HB THR 75 HB THR 75 -1.248 -15.998 5.083 444 HG1 THR 75 HG1 THR 75 -2.508 -16.337 7.058 445 1HG2 THR 75 HG22 THR 75 -0.182 -14.280 7.433 446 2HG2 THR 75 HG21 THR 75 -0.077 -16.059 7.371 447 3HG2 THR 75 HG23 THR 75 0.790 -15.092 6.167 448 H LYS 76 H LYS 76 -0.166 -11.856 6.065 449 HA LYS 76 HA LYS 76 -1.892 -11.252 8.279 450 1HB LYS 76 HB2 LYS 76 0.423 -9.767 6.963 451 2HB LYS 76 HB1 LYS 76 -0.438 -9.062 8.336 452 1HG LYS 76 HG2 LYS 76 0.980 -11.789 8.433 453 2HG LYS 76 HG1 LYS 76 1.624 -10.262 9.042 454 1HD LYS 76 HD2 LYS 76 -0.863 -10.286 10.352 455 2HD LYS 76 HD1 LYS 76 -0.546 -12.024 10.198 456 1HE LYS 76 HE2 LYS 76 0.301 -11.300 12.341 457 2HE LYS 76 HE1 LYS 76 1.747 -11.572 11.330 458 1HZ LYS 76 HZ1 LYS 76 0.436 -8.879 11.891 459 2HZ LYS 76 HZ3 LYS 76 1.842 -9.485 12.687 460 3HZ LYS 76 HZ2 LYS 76 1.916 -9.097 11.002 461 H SER 77 H SER 77 -2.483 -10.516 4.921 462 HA SER 77 HA SER 77 -3.861 -8.189 4.866 463 1HB SER 77 HB2 SER 77 -4.086 -9.882 3.160 464 2HB SER 77 HB1 SER 77 -4.911 -11.031 4.247 465 HG SER 77 HG SER 77 -6.727 -9.522 4.156 466 H ASP 78 H ASP 78 -4.967 -10.937 7.047 467 HA ASP 78 HA ASP 78 -7.373 -9.576 7.740 468 1HB ASP 78 HB2 ASP 78 -5.624 -11.348 9.559 469 2HB ASP 78 HB1 ASP 78 -7.319 -10.877 9.862 470 H ASN 79 H ASN 79 -4.058 -9.388 9.283 471 HA ASN 79 HA ASN 79 -4.796 -7.412 11.193 472 1HB ASN 79 HB2 ASN 79 -2.636 -8.647 11.337 473 2HB ASN 79 HB1 ASN 79 -2.087 -7.899 9.816 474 1HD2 ASN 79 HD22 ASN 79 -0.480 -5.441 11.854 475 2HD2 ASN 79 HD21 ASN 79 -0.248 -6.675 10.673 476 H LEU 80 H LEU 80 -3.587 -7.063 7.752 477 HA LEU 80 HA LEU 80 -3.259 -4.183 8.140 478 1HB LEU 80 HB2 LEU 80 -3.191 -5.975 5.656 479 2HB LEU 80 HB1 LEU 80 -3.141 -4.208 5.520 480 HG LEU 80 HG LEU 80 -0.925 -5.378 5.468 481 1HD1 LEU 80 HD12 LEU 80 -1.064 -3.000 5.839 482 2HD1 LEU 80 HD11 LEU 80 -1.239 -3.197 7.610 483 3HD1 LEU 80 HD13 LEU 80 0.281 -3.635 6.806 484 1HD2 LEU 80 HD21 LEU 80 -1.228 -7.028 7.354 485 2HD2 LEU 80 HD23 LEU 80 0.198 -5.996 7.637 486 3HD2 LEU 80 HD22 LEU 80 -1.298 -5.686 8.540 487 H LYS 81 H LYS 81 -5.726 -6.248 6.381 488 HA LYS 81 HA LYS 81 -7.378 -4.190 5.584 489 1HB LYS 81 HB2 LYS 81 -8.198 -6.874 6.820 490 2HB LYS 81 HB1 LYS 81 -9.395 -5.718 6.152 491 1HG LYS 81 HG2 LYS 81 -8.160 -5.766 3.925 492 2HG LYS 81 HG1 LYS 81 -7.207 -7.130 4.538 493 1HD LYS 81 HD2 LYS 81 -10.260 -6.983 4.097 494 2HD LYS 81 HD1 LYS 81 -9.090 -8.014 3.238 495 1HE LYS 81 HE2 LYS 81 -8.677 -9.239 5.476 496 2HE LYS 81 HE1 LYS 81 -9.998 -8.277 6.178 497 1HZ LYS 81 HZ2 LYS 81 -11.551 -9.188 4.479 498 2HZ LYS 81 HZ1 LYS 81 -10.272 -10.157 3.811 499 3HZ LYS 81 HZ3 LYS 81 -10.826 -10.454 5.425 500 H THR 82 H THR 82 -6.972 -5.478 9.002 501 HA THR 82 HA THR 82 -9.113 -3.863 10.046 502 HB THR 82 HB THR 82 -6.643 -5.100 11.331 503 HG1 THR 82 HG1 THR 82 -9.448 -5.464 11.795 504 1HG2 THR 82 HG22 THR 82 -8.571 -3.137 12.701 505 2HG2 THR 82 HG21 THR 82 -7.485 -4.281 13.551 506 3HG2 THR 82 HG23 THR 82 -6.790 -2.986 12.536 507 H GLU 83 H GLU 83 -5.546 -3.153 9.547 508 HA GLU 83 HA GLU 83 -5.783 -0.506 10.633 509 1HB GLU 83 HB2 GLU 83 -3.818 -1.499 8.475 510 2HB GLU 83 HB1 GLU 83 -3.705 0.051 9.344 511 1HG GLU 83 HG2 GLU 83 -3.500 -2.753 10.627 512 2HG GLU 83 HG1 GLU 83 -2.165 -1.623 10.348 513 H MET 84 H MET 84 -6.303 -1.809 7.254 514 HA MET 84 HA MET 84 -6.727 0.805 6.146 515 1HB MET 84 HB2 MET 84 -7.989 -1.820 5.145 516 2HB MET 84 HB1 MET 84 -7.867 -0.267 4.275 517 1HG MET 84 HG2 MET 84 -5.300 -0.501 4.365 518 2HG MET 84 HG1 MET 84 -5.531 -2.150 5.023 519 1HE MET 84 HE2 MET 84 -4.183 -3.166 2.989 520 2HE MET 84 HE1 MET 84 -5.598 -4.233 3.245 521 3HE MET 84 HE3 MET 84 -5.112 -3.759 1.581 522 H ASP 85 H ASP 85 -8.831 -1.649 7.855 523 HA ASP 85 HA ASP 85 -11.277 -0.532 7.140 524 1HB ASP 85 HB2 ASP 85 -11.065 -2.703 8.386 525 2HB ASP 85 HB1 ASP 85 -10.668 -1.787 9.870 526 H GLU 86 H GLU 86 -8.968 0.262 9.882 527 HA GLU 86 HA GLU 86 -10.541 2.317 10.962 528 1HB GLU 86 HB2 GLU 86 -7.502 1.974 10.946 529 2HB GLU 86 HB1 GLU 86 -8.238 3.484 11.538 530 1HG GLU 86 HG2 GLU 86 -9.678 2.203 13.152 531 2HG GLU 86 HG1 GLU 86 -8.800 0.708 12.708 532 H TYR 87 H TYR 87 -8.021 2.568 8.278 533 HA TYR 87 HA TYR 87 -8.151 5.271 7.917 534 1HB TYR 87 HB1 TYR 87 -6.738 4.319 6.293 535 2HB TYR 87 HB2 TYR 87 -7.854 3.009 5.980 536 HD1 TYR 87 HD2 TYR 87 -8.759 6.668 5.483 537 HD2 TYR 87 HD1 TYR 87 -7.895 2.864 3.657 538 HE1 TYR 87 HE2 TYR 87 -9.364 7.584 3.311 539 HE2 TYR 87 HE1 TYR 87 -8.616 3.766 1.489 540 HH TYR 87 HH TYR 87 -9.773 7.107 1.007 541 H ILE 88 H ILE 88 -10.531 3.041 6.281 542 HA ILE 88 HA ILE 88 -11.920 5.280 5.197 543 HB ILE 88 HB ILE 88 -13.346 2.639 5.754 544 1HG1 ILE 88 HG12 ILE 88 -12.426 2.534 3.034 545 2HG1 ILE 88 HG11 ILE 88 -11.021 3.134 3.916 546 1HG2 ILE 88 HG22 ILE 88 -14.744 4.568 4.972 547 2HG2 ILE 88 HG21 ILE 88 -13.696 4.741 3.531 548 3HG2 ILE 88 HG23 ILE 88 -14.680 3.264 3.758 549 1HD1 ILE 88 HD12 ILE 88 -11.466 1.105 5.553 550 2HD1 ILE 88 HD11 ILE 88 -12.598 0.504 4.337 551 3HD1 ILE 88 HD13 ILE 88 -10.863 0.692 3.929 552 H ARG 89 H ARG 89 -12.468 3.346 8.229 553 HA ARG 89 HA ARG 89 -14.809 4.792 9.036 554 1HB ARG 89 HB2 ARG 89 -12.640 3.351 10.660 555 2HB ARG 89 HB1 ARG 89 -14.101 4.031 11.408 556 1HG ARG 89 HG2 ARG 89 -15.581 2.538 10.277 557 2HG ARG 89 HG1 ARG 89 -14.375 2.057 9.062 558 1HD ARG 89 HD2 ARG 89 -13.135 0.733 10.604 559 2HD ARG 89 HD1 ARG 89 -13.890 1.374 12.035 560 HE ARG 89 HE ARG 89 -14.956 -0.633 10.082 561 1HH1 ARG 89 HH11 ARG 89 -15.921 1.570 12.791 562 2HH1 ARG 89 HH12 ARG 89 -17.313 0.574 13.171 563 1HH2 ARG 89 HH21 ARG 89 -16.791 -1.781 10.628 564 2HH2 ARG 89 HH22 ARG 89 -17.819 -1.257 11.961 565 H ASN 90 H ASN 90 -11.317 5.637 9.237 566 HA ASN 90 HA ASN 90 -11.832 7.900 11.040 567 1HB ASN 90 HB2 ASN 90 -9.663 6.670 11.149 568 2HB ASN 90 HB1 ASN 90 -9.334 7.055 9.445 569 1HD2 ASN 90 HD22 ASN 90 -9.046 10.112 12.270 570 2HD2 ASN 90 HD21 ASN 90 -10.081 8.778 12.618 571 H PHE 91 H PHE 91 -11.979 7.316 7.516 572 HA PHE 91 HA PHE 91 -12.121 10.294 7.116 573 1HB PHE 91 HB2 PHE 91 -10.020 8.539 6.336 574 2HB PHE 91 HB1 PHE 91 -11.011 8.619 4.880 575 HD1 PHE 91 HD1 PHE 91 -9.294 10.615 7.552 576 HD2 PHE 91 HD2 PHE 91 -10.802 10.695 3.519 577 HE1 PHE 91 HE1 PHE 91 -8.039 12.705 7.126 578 HE2 PHE 91 HE2 PHE 91 -9.545 12.789 3.098 579 HZ PHE 91 HZ PHE 91 -8.145 13.786 4.890 580 H GLY 92 H GLY 92 -14.381 8.564 7.730 581 1HA GLY 92 HA1 GLY 92 -15.448 7.414 5.349 582 2HA GLY 92 HA2 GLY 92 -16.402 7.850 6.787 No H/Q in entry = 582 Start of MODEL 4 1 H MET 15 H MET 15 -2.958 8.815 11.608 2 HA MET 15 HA MET 15 -1.506 9.888 9.265 3 1HB MET 15 HB2 MET 15 -0.235 8.251 11.545 4 2HB MET 15 HB1 MET 15 0.571 9.253 10.298 5 1HG MET 15 HG2 MET 15 -0.834 11.260 11.295 6 2HG MET 15 HG1 MET 15 -1.122 10.200 12.706 7 1HE MET 15 HE2 MET 15 0.760 9.593 14.493 8 2HE MET 15 HE1 MET 15 1.596 8.635 13.220 9 3HE MET 15 HE3 MET 15 2.513 9.827 14.195 10 H ALA 16 H ALA 16 -2.376 6.669 10.830 11 HA ALA 16 HA ALA 16 -1.225 5.121 8.806 12 1HB ALA 16 HB3 ALA 16 -2.147 4.150 10.898 13 2HB ALA 16 HB2 ALA 16 -3.811 4.439 10.327 14 3HB ALA 16 HB1 ALA 16 -2.745 3.309 9.454 15 HA PRO 17 HA PRO 17 -5.057 5.627 6.041 16 1HB PRO 17 HB2 PRO 17 -6.443 8.115 6.258 17 2HB PRO 17 HB1 PRO 17 -7.032 6.549 6.823 18 1HG PRO 17 HG2 PRO 17 -5.910 8.800 8.431 19 2HG PRO 17 HG1 PRO 17 -6.902 7.423 9.010 20 1HD PRO 17 HD2 PRO 17 -4.134 7.793 9.385 21 2HD PRO 17 HD1 PRO 17 -5.044 6.290 9.741 22 H ALA 18 H ALA 18 -3.356 8.708 7.137 23 HA ALA 18 HA ALA 18 -3.045 9.755 4.487 24 1HB ALA 18 HB3 ALA 18 -2.426 11.065 6.574 25 2HB ALA 18 HB2 ALA 18 -1.026 9.970 6.807 26 3HB ALA 18 HB1 ALA 18 -1.109 11.011 5.360 27 H LEU 19 H LEU 19 -1.427 7.092 6.351 28 HA LEU 19 HA LEU 19 0.866 7.052 4.686 29 1HB LEU 19 HB2 LEU 19 0.507 5.941 7.042 30 2HB LEU 19 HB1 LEU 19 -0.113 4.570 6.107 31 HG LEU 19 HG LEU 19 2.167 4.113 6.586 32 1HD1 LEU 19 HD12 LEU 19 1.583 3.694 4.198 33 2HD1 LEU 19 HD11 LEU 19 2.247 5.292 3.718 34 3HD1 LEU 19 HD13 LEU 19 3.322 4.071 4.405 35 1HD2 LEU 19 HD21 LEU 19 2.901 6.404 7.331 36 2HD2 LEU 19 HD23 LEU 19 4.083 5.612 6.265 37 3HD2 LEU 19 HD22 LEU 19 3.044 6.911 5.622 38 H VAL 20 H VAL 20 -1.976 4.573 4.655 39 HA VAL 20 HA VAL 20 -1.435 3.507 2.239 40 HB VAL 20 HB VAL 20 -3.369 2.780 3.474 41 1HG1 VAL 20 HG12 VAL 20 -4.280 4.968 4.063 42 2HG1 VAL 20 HG11 VAL 20 -4.878 5.252 2.404 43 3HG1 VAL 20 HG13 VAL 20 -5.559 3.926 3.400 44 1HG2 VAL 20 HG21 VAL 20 -3.176 2.143 1.031 45 2HG2 VAL 20 HG23 VAL 20 -4.883 2.264 1.545 46 3HG2 VAL 20 HG22 VAL 20 -4.154 3.575 0.592 47 H ALA 21 H ALA 21 -2.823 6.835 2.748 48 HA ALA 21 HA ALA 21 -3.451 7.176 0.038 49 1HB ALA 21 HB3 ALA 21 -4.340 8.720 1.772 50 2HB ALA 21 HB2 ALA 21 -2.704 9.418 1.983 51 3HB ALA 21 HB1 ALA 21 -3.557 9.606 0.426 52 H ALA 22 H ALA 22 -0.389 7.766 1.892 53 HA ALA 22 HA ALA 22 1.083 9.195 0.066 54 1HB ALA 22 HB3 ALA 22 1.926 8.432 2.349 55 2HB ALA 22 HB2 ALA 22 2.194 6.805 1.655 56 3HB ALA 22 HB1 ALA 22 3.121 8.202 1.047 57 H PHE 23 H PHE 23 -0.044 5.888 -0.671 58 HA PHE 23 HA PHE 23 1.555 6.150 -3.155 59 1HB PHE 23 HB2 PHE 23 2.798 4.854 -1.262 60 2HB PHE 23 HB1 PHE 23 1.585 3.545 -1.593 61 HD1 PHE 23 HD2 PHE 23 3.457 5.663 -4.210 62 HD2 PHE 23 HD1 PHE 23 3.284 1.940 -2.000 63 HE1 PHE 23 HE2 PHE 23 5.495 4.810 -5.300 64 HE2 PHE 23 HE1 PHE 23 4.861 0.943 -3.575 65 HZ PHE 23 HZ PHE 23 5.820 2.337 -5.440 66 H GLY 24 H GLY 24 -0.995 4.011 -1.482 67 1HA GLY 24 HA1 GLY 24 -2.151 3.360 -4.048 68 2HA GLY 24 HA2 GLY 24 -2.928 3.194 -2.452 69 H GLY 25 H GLY 25 -2.423 6.227 -1.850 70 1HA GLY 25 HA1 GLY 25 -4.825 7.166 -3.377 71 2HA GLY 25 HA2 GLY 25 -4.122 7.958 -1.966 72 H LYS 26 H LYS 26 -1.422 7.201 -3.925 73 HA LYS 26 HA LYS 26 -1.244 9.993 -4.846 74 1HB LYS 26 HB2 LYS 26 0.380 7.456 -5.406 75 2HB LYS 26 HB1 LYS 26 0.774 9.050 -6.104 76 1HG LYS 26 HG2 LYS 26 0.624 8.454 -3.090 77 2HG LYS 26 HG1 LYS 26 2.108 8.340 -4.078 78 1HD LYS 26 HD2 LYS 26 1.213 10.917 -4.703 79 2HD LYS 26 HD1 LYS 26 0.734 10.796 -2.996 80 1HE LYS 26 HE2 LYS 26 3.587 10.189 -4.043 81 2HE LYS 26 HE1 LYS 26 3.054 11.794 -3.499 82 1HZ LYS 26 HZ1 LYS 26 3.077 9.332 -1.743 83 2HZ LYS 26 HZ3 LYS 26 4.261 10.594 -1.748 84 3HZ LYS 26 HZ2 LYS 26 2.637 10.956 -1.261 85 H GLU 27 H GLU 27 -3.354 10.109 -6.057 86 HA GLU 27 HA GLU 27 -4.077 8.014 -7.857 87 1HB GLU 27 HB2 GLU 27 -6.055 9.119 -8.089 88 2HB GLU 27 HB1 GLU 27 -5.448 10.336 -6.954 89 1HG GLU 27 HG2 GLU 27 -4.516 11.626 -8.972 90 2HG GLU 27 HG1 GLU 27 -5.317 10.424 -10.028 91 H ASN 28 H ASN 28 -2.083 10.976 -8.311 92 HA ASN 28 HA ASN 28 -1.928 11.214 -11.029 93 1HB ASN 28 HB2 ASN 28 -0.563 12.570 -9.476 94 2HB ASN 28 HB1 ASN 28 0.396 11.147 -8.993 95 1HD2 ASN 28 HD22 ASN 28 2.636 11.535 -11.770 96 2HD2 ASN 28 HD21 ASN 28 2.330 10.726 -10.276 97 H ILE 29 H ILE 29 -0.578 8.539 -9.127 98 HA ILE 29 HA ILE 29 1.059 7.114 -10.361 99 HB ILE 29 HB ILE 29 -1.618 6.500 -9.211 100 1HG1 ILE 29 HG12 ILE 29 -0.491 4.928 -7.837 101 2HG1 ILE 29 HG11 ILE 29 0.716 4.613 -9.110 102 1HG2 ILE 29 HG22 ILE 29 -2.179 5.324 -11.235 103 2HG2 ILE 29 HG21 ILE 29 -0.735 4.283 -11.099 104 3HG2 ILE 29 HG23 ILE 29 -2.011 4.217 -9.849 105 1HD1 ILE 29 HD11 ILE 29 0.747 7.308 -7.706 106 2HD1 ILE 29 HD13 ILE 29 1.503 5.883 -6.937 107 3HD1 ILE 29 HD12 ILE 29 2.100 6.508 -8.486 108 H THR 30 H THR 30 1.416 5.270 -11.706 109 HA THR 30 HA THR 30 0.334 5.810 -14.453 110 HB THR 30 HB THR 30 2.511 6.241 -14.956 111 HG1 THR 30 HG1 THR 30 3.496 4.211 -15.632 112 1HG2 THR 30 HG22 THR 30 3.449 4.477 -12.666 113 2HG2 THR 30 HG21 THR 30 4.507 5.414 -13.754 114 3HG2 THR 30 HG23 THR 30 3.408 6.273 -12.644 115 H ASN 31 H ASN 31 1.555 2.927 -12.383 116 HA ASN 31 HA ASN 31 -0.574 1.350 -13.766 117 1HB ASN 31 HB2 ASN 31 2.385 1.281 -14.353 118 2HB ASN 31 HB1 ASN 31 1.636 -0.308 -14.115 119 1HD2 ASN 31 HD22 ASN 31 -0.463 -0.243 -16.994 120 2HD2 ASN 31 HD21 ASN 31 -0.347 -0.895 -15.401 121 H LEU 32 H LEU 32 -1.631 0.432 -11.960 122 HA LEU 32 HA LEU 32 0.140 -0.984 -9.958 123 1HB LEU 32 HB2 LEU 32 -2.583 0.408 -9.748 124 2HB LEU 32 HB1 LEU 32 -2.153 -0.882 -8.602 125 HG LEU 32 HG LEU 32 -0.452 0.393 -7.559 126 1HD1 LEU 32 HD11 LEU 32 -0.509 2.349 -9.910 127 2HD1 LEU 32 HD13 LEU 32 0.470 2.518 -8.407 128 3HD1 LEU 32 HD12 LEU 32 0.829 1.244 -9.559 129 1HD2 LEU 32 HD21 LEU 32 -2.684 1.205 -6.946 130 2HD2 LEU 32 HD23 LEU 32 -1.478 2.513 -6.884 131 3HD2 LEU 32 HD22 LEU 32 -2.618 2.421 -8.249 132 H ASP 33 H ASP 33 -0.813 -3.079 -9.161 133 HA ASP 33 HA ASP 33 -2.634 -4.359 -11.196 134 1HB ASP 33 HB2 ASP 33 -0.136 -5.585 -9.978 135 2HB ASP 33 HB1 ASP 33 -1.342 -6.475 -10.920 136 H ALA 34 H ALA 34 -4.073 -3.423 -9.309 137 HA ALA 34 HA ALA 34 -3.819 -4.539 -6.725 138 1HB ALA 34 HB3 ALA 34 -5.241 -2.586 -7.116 139 2HB ALA 34 HB2 ALA 34 -6.380 -3.586 -8.070 140 3HB ALA 34 HB1 ALA 34 -6.164 -3.895 -6.318 141 H CYS 35 H CYS 35 -4.834 -6.478 -5.712 142 HA CYS 35 HA CYS 35 -6.566 -8.113 -7.359 143 1HB CYS 35 HB2 CYS 35 -3.856 -8.420 -7.997 144 2HB CYS 35 HB1 CYS 35 -4.072 -9.693 -6.767 145 HG CYS 35 HG CYS 35 -5.864 -10.740 -8.217 146 H ILE 36 H ILE 36 -7.078 -10.292 -6.232 147 HA ILE 36 HA ILE 36 -8.319 -9.929 -4.036 148 HB ILE 36 HB ILE 36 -8.155 -12.224 -3.245 149 1HG1 ILE 36 HG12 ILE 36 -5.901 -13.058 -3.439 150 2HG1 ILE 36 HG11 ILE 36 -6.888 -13.980 -4.547 151 1HG2 ILE 36 HG22 ILE 36 -9.629 -11.599 -5.184 152 2HG2 ILE 36 HG21 ILE 36 -8.388 -12.207 -6.315 153 3HG2 ILE 36 HG23 ILE 36 -9.154 -13.312 -5.156 154 1HD1 ILE 36 HD11 ILE 36 -5.062 -11.671 -5.513 155 2HD1 ILE 36 HD13 ILE 36 -4.683 -13.404 -5.518 156 3HD1 ILE 36 HD12 ILE 36 -6.021 -12.780 -6.524 157 H THR 37 H THR 37 -4.881 -11.096 -3.339 158 HA THR 37 HA THR 37 -4.993 -9.402 -0.884 159 HB THR 37 HB THR 37 -3.860 -11.338 0.255 160 HG1 THR 37 HG1 THR 37 -4.014 -13.406 -0.894 161 1HG2 THR 37 HG23 THR 37 -6.354 -10.971 0.548 162 2HG2 THR 37 HG22 THR 37 -6.664 -12.049 -0.847 163 3HG2 THR 37 HG21 THR 37 -5.935 -12.706 0.643 164 H ARG 38 H ARG 38 -3.974 -8.854 -3.604 165 HA ARG 38 HA ARG 38 -1.109 -8.719 -3.036 166 1HB ARG 38 HB2 ARG 38 -1.371 -10.965 -3.930 167 2HB ARG 38 HB1 ARG 38 -2.346 -10.374 -5.278 168 1HG ARG 38 HG2 ARG 38 0.302 -9.000 -5.131 169 2HG ARG 38 HG1 ARG 38 0.497 -10.765 -5.315 170 1HD ARG 38 HD2 ARG 38 -1.253 -9.153 -7.215 171 2HD ARG 38 HD1 ARG 38 0.458 -9.412 -7.464 172 HE ARG 38 HE ARG 38 -1.807 -11.448 -7.345 173 1HH1 ARG 38 HH11 ARG 38 1.726 -11.002 -8.152 174 2HH1 ARG 38 HH12 ARG 38 1.767 -12.565 -8.938 175 1HH2 ARG 38 HH21 ARG 38 -1.553 -13.427 -8.306 176 2HH2 ARG 38 HH22 ARG 38 -0.013 -13.906 -9.007 177 H LEU 39 H LEU 39 -0.767 -6.474 -3.456 178 HA LEU 39 HA LEU 39 -1.937 -5.520 -6.021 179 1HB LEU 39 HB2 LEU 39 -2.444 -3.321 -5.048 180 2HB LEU 39 HB1 LEU 39 -3.268 -4.654 -4.240 181 HG LEU 39 HG LEU 39 -1.220 -4.395 -2.467 182 1HD1 LEU 39 HD12 LEU 39 -0.235 -2.424 -3.851 183 2HD1 LEU 39 HD11 LEU 39 -1.674 -1.493 -3.421 184 3HD1 LEU 39 HD13 LEU 39 -0.574 -2.055 -2.130 185 1HD2 LEU 39 HD21 LEU 39 -3.699 -4.199 -1.895 186 2HD2 LEU 39 HD23 LEU 39 -2.709 -2.997 -1.055 187 3HD2 LEU 39 HD22 LEU 39 -3.691 -2.528 -2.471 188 H ARG 40 H ARG 40 -0.572 -3.282 -6.604 189 HA ARG 40 HA ARG 40 2.273 -3.834 -6.092 190 1HB ARG 40 HB2 ARG 40 1.341 -4.022 -8.999 191 2HB ARG 40 HB1 ARG 40 3.020 -4.181 -8.479 192 1HG ARG 40 HG2 ARG 40 2.363 -6.355 -7.257 193 2HG ARG 40 HG1 ARG 40 0.761 -6.129 -7.958 194 1HD ARG 40 HD2 ARG 40 2.359 -5.906 -10.265 195 2HD ARG 40 HD1 ARG 40 3.465 -6.833 -9.205 196 HE ARG 40 HE ARG 40 0.806 -8.023 -9.248 197 1HH1 ARG 40 HH11 ARG 40 3.684 -7.603 -11.357 198 2HH1 ARG 40 HH12 ARG 40 3.321 -9.069 -12.258 199 1HH2 ARG 40 HH21 ARG 40 0.419 -9.875 -10.442 200 2HH2 ARG 40 HH22 ARG 40 1.500 -10.332 -11.760 201 H VAL 41 H VAL 41 3.668 -1.977 -7.057 202 HA VAL 41 HA VAL 41 1.863 0.261 -7.831 203 HB VAL 41 HB VAL 41 3.887 0.584 -5.683 204 1HG1 VAL 41 HG12 VAL 41 2.711 2.626 -6.688 205 2HG1 VAL 41 HG11 VAL 41 1.121 1.933 -6.238 206 3HG1 VAL 41 HG13 VAL 41 2.240 2.433 -4.985 207 1HG2 VAL 41 HG22 VAL 41 1.049 -0.443 -5.143 208 2HG2 VAL 41 HG21 VAL 41 2.583 -1.284 -4.761 209 3HG2 VAL 41 HG23 VAL 41 2.152 0.204 -3.902 210 H SER 42 H SER 42 3.019 -0.551 -9.964 211 HA SER 42 HA SER 42 5.819 0.156 -10.146 212 1HB SER 42 HB2 SER 42 4.947 -1.452 -11.776 213 2HB SER 42 HB1 SER 42 3.741 -0.263 -12.360 214 HG SER 42 HG SER 42 5.650 -0.249 -13.719 215 H VAL 43 H VAL 43 6.351 2.319 -9.513 216 HA VAL 43 HA VAL 43 5.372 4.351 -11.419 217 HB VAL 43 HB VAL 43 4.442 5.785 -9.716 218 1HG1 VAL 43 HG11 VAL 43 3.560 2.901 -8.995 219 2HG1 VAL 43 HG13 VAL 43 2.813 4.334 -8.389 220 3HG1 VAL 43 HG12 VAL 43 2.815 4.023 -10.163 221 1HG2 VAL 43 HG21 VAL 43 6.274 5.417 -7.936 222 2HG2 VAL 43 HG23 VAL 43 4.615 5.442 -7.310 223 3HG2 VAL 43 HG22 VAL 43 5.479 3.874 -7.536 224 H ALA 44 H ALA 44 6.438 6.578 -10.958 225 HA ALA 44 HA ALA 44 9.225 6.095 -9.916 226 1HB ALA 44 HB3 ALA 44 9.063 6.535 -12.389 227 2HB ALA 44 HB2 ALA 44 8.264 8.098 -12.041 228 3HB ALA 44 HB1 ALA 44 9.950 7.816 -11.511 229 H ASP 45 H ASP 45 6.318 7.587 -8.796 230 HA ASP 45 HA ASP 45 7.676 9.964 -7.751 231 1HB ASP 45 HB2 ASP 45 5.099 8.600 -6.821 232 2HB ASP 45 HB1 ASP 45 5.708 10.189 -6.284 233 H VAL 46 H VAL 46 9.604 8.212 -7.235 234 HA VAL 46 HA VAL 46 9.173 7.166 -4.476 235 HB VAL 46 HB VAL 46 10.025 5.505 -5.981 236 1HG1 VAL 46 HG11 VAL 46 12.299 7.480 -6.613 237 2HG1 VAL 46 HG13 VAL 46 12.423 5.725 -6.929 238 3HG1 VAL 46 HG12 VAL 46 11.185 6.670 -7.765 239 1HG2 VAL 46 HG21 VAL 46 10.877 5.481 -3.593 240 2HG2 VAL 46 HG23 VAL 46 11.972 4.710 -4.752 241 3HG2 VAL 46 HG22 VAL 46 12.351 6.337 -4.143 242 H SER 47 H SER 47 10.131 10.114 -5.968 243 HA SER 47 HA SER 47 12.309 11.108 -4.866 244 1HB SER 47 HB2 SER 47 10.668 12.567 -5.946 245 2HB SER 47 HB1 SER 47 9.480 12.292 -4.633 246 HG SER 47 HG SER 47 10.674 14.294 -4.333 247 H LYS 48 H LYS 48 9.308 10.680 -2.842 248 HA LYS 48 HA LYS 48 11.061 10.094 -0.530 249 1HB LYS 48 HB2 LYS 48 10.448 11.934 0.845 250 2HB LYS 48 HB1 LYS 48 10.763 12.662 -0.746 251 1HG LYS 48 HG2 LYS 48 8.057 12.218 0.656 252 2HG LYS 48 HG1 LYS 48 8.794 13.738 0.113 253 1HD LYS 48 HD2 LYS 48 8.507 12.910 -2.304 254 2HD LYS 48 HD1 LYS 48 7.565 11.531 -1.627 255 1HE LYS 48 HE2 LYS 48 6.838 14.509 -1.462 256 2HE LYS 48 HE1 LYS 48 6.040 13.234 -2.425 257 1HZ LYS 48 HZ2 LYS 48 5.528 12.083 -0.206 258 2HZ LYS 48 HZ1 LYS 48 6.039 13.548 0.580 259 3HZ LYS 48 HZ3 LYS 48 4.678 13.560 -0.519 260 H VAL 49 H VAL 49 8.963 8.611 -2.103 261 HA VAL 49 HA VAL 49 6.536 8.593 -0.739 262 HB VAL 49 HB VAL 49 7.044 7.451 -2.908 263 1HG1 VAL 49 HG12 VAL 49 9.263 6.369 -2.193 264 2HG1 VAL 49 HG11 VAL 49 8.345 5.258 -1.202 265 3HG1 VAL 49 HG13 VAL 49 8.148 5.222 -2.981 266 1HG2 VAL 49 HG22 VAL 49 5.701 5.608 -0.822 267 2HG2 VAL 49 HG21 VAL 49 4.924 6.850 -1.849 268 3HG2 VAL 49 HG23 VAL 49 5.672 5.401 -2.572 269 H ASP 50 H ASP 50 5.642 7.126 0.986 270 HA ASP 50 HA ASP 50 7.810 6.102 2.803 271 1HB ASP 50 HB2 ASP 50 6.129 7.886 3.531 272 2HB ASP 50 HB1 ASP 50 4.864 6.633 3.442 273 H GLN 51 H GLN 51 7.861 4.329 0.884 274 HA GLN 51 HA GLN 51 5.665 2.423 0.877 275 1HB GLN 51 HB2 GLN 51 8.613 1.964 0.157 276 2HB GLN 51 HB1 GLN 51 7.309 0.788 -0.112 277 1HG GLN 51 HG2 GLN 51 6.373 1.939 -1.888 278 2HG GLN 51 HG1 GLN 51 6.831 3.528 -1.308 279 1HE2 GLN 51 HE22 GLN 51 9.136 2.188 -4.197 280 2HE2 GLN 51 HE21 GLN 51 7.508 1.698 -3.927 281 H ALA 52 H ALA 52 8.960 2.695 2.464 282 HA ALA 52 HA ALA 52 9.089 0.295 3.770 283 1HB ALA 52 HB2 ALA 52 9.739 3.077 4.963 284 2HB ALA 52 HB1 ALA 52 10.355 1.514 5.593 285 3HB ALA 52 HB3 ALA 52 10.851 2.084 3.971 286 H GLY 53 H GLY 53 6.920 3.087 4.640 287 1HA GLY 53 HA1 GLY 53 5.804 1.566 6.922 288 2HA GLY 53 HA2 GLY 53 5.188 3.099 6.253 289 H LEU 54 H LEU 54 4.809 2.502 3.516 290 HA LEU 54 HA LEU 54 2.219 1.464 3.881 291 1HB LEU 54 HB2 LEU 54 3.238 2.968 1.947 292 2HB LEU 54 HB1 LEU 54 3.417 1.453 1.056 293 HG LEU 54 HG LEU 54 0.656 1.810 2.261 294 1HD1 LEU 54 HD11 LEU 54 1.794 4.078 0.597 295 2HD1 LEU 54 HD13 LEU 54 0.076 3.640 0.503 296 3HD1 LEU 54 HD12 LEU 54 0.843 4.077 2.040 297 1HD2 LEU 54 HD22 LEU 54 1.506 1.308 -0.632 298 2HD2 LEU 54 HD21 LEU 54 1.060 0.058 0.552 299 3HD2 LEU 54 HD23 LEU 54 -0.150 1.247 0.014 300 H LYS 55 H LYS 55 5.144 -0.279 3.412 301 HA LYS 55 HA LYS 55 3.846 -2.523 2.138 302 1HB LYS 55 HB2 LYS 55 6.140 -3.606 2.314 303 2HB LYS 55 HB1 LYS 55 6.107 -1.933 1.636 304 1HG LYS 55 HG2 LYS 55 8.089 -2.159 2.802 305 2HG LYS 55 HG1 LYS 55 7.123 -1.139 3.820 306 1HD LYS 55 HD2 LYS 55 7.354 -2.528 5.597 307 2HD LYS 55 HD1 LYS 55 6.711 -3.922 4.679 308 1HE LYS 55 HE2 LYS 55 9.622 -2.909 4.510 309 2HE LYS 55 HE1 LYS 55 9.082 -4.171 5.643 310 1HZ LYS 55 HZ1 LYS 55 8.787 -4.421 2.625 311 2HZ LYS 55 HZ3 LYS 55 10.055 -5.128 3.578 312 3HZ LYS 55 HZ2 LYS 55 8.405 -5.614 3.822 313 H LYS 56 H LYS 56 5.007 -1.860 5.362 314 HA LYS 56 HA LYS 56 3.967 -4.491 6.311 315 1HB LYS 56 HB2 LYS 56 4.897 -3.904 8.509 316 2HB LYS 56 HB1 LYS 56 6.105 -3.812 7.216 317 1HG LYS 56 HG2 LYS 56 5.781 -1.222 7.229 318 2HG LYS 56 HG1 LYS 56 4.700 -1.437 8.613 319 1HD LYS 56 HD2 LYS 56 7.673 -2.326 8.437 320 2HD LYS 56 HD1 LYS 56 7.125 -0.752 9.035 321 1HE LYS 56 HE2 LYS 56 5.559 -2.536 10.590 322 2HE LYS 56 HE1 LYS 56 7.108 -3.397 10.438 323 1HZ LYS 56 HZ2 LYS 56 8.252 -1.318 11.239 324 2HZ LYS 56 HZ1 LYS 56 6.697 -0.536 11.399 325 3HZ LYS 56 HZ3 LYS 56 7.085 -1.897 12.397 326 H LEU 57 H LEU 57 3.146 -0.993 6.499 327 HA LEU 57 HA LEU 57 0.887 -1.548 8.328 328 1HB LEU 57 HB2 LEU 57 2.264 0.410 8.673 329 2HB LEU 57 HB1 LEU 57 2.004 1.006 7.012 330 HG LEU 57 HG LEU 57 0.785 2.247 8.760 331 1HD1 LEU 57 HD12 LEU 57 0.058 2.214 6.301 332 2HD1 LEU 57 HD11 LEU 57 -1.213 1.052 6.735 333 3HD1 LEU 57 HD13 LEU 57 -1.208 2.655 7.490 334 1HD2 LEU 57 HD21 LEU 57 0.147 0.252 10.207 335 2HD2 LEU 57 HD23 LEU 57 -1.206 1.362 9.862 336 3HD2 LEU 57 HD22 LEU 57 -1.078 -0.194 8.981 337 H GLY 58 H GLY 58 1.443 -0.498 4.859 338 1HA GLY 58 HA1 GLY 58 -1.443 -0.270 4.437 339 2HA GLY 58 HA2 GLY 58 -0.197 -0.100 3.198 340 H ALA 59 H ALA 59 1.255 -2.373 3.074 341 HA ALA 59 HA ALA 59 -0.840 -4.365 2.429 342 1HB ALA 59 HB3 ALA 59 0.586 -3.340 0.563 343 2HB ALA 59 HB2 ALA 59 1.999 -4.175 1.279 344 3HB ALA 59 HB1 ALA 59 0.636 -5.118 0.601 345 H ALA 60 H ALA 60 1.355 -6.554 2.304 346 HA ALA 60 HA ALA 60 2.374 -6.511 5.110 347 1HB ALA 60 HB3 ALA 60 0.142 -7.862 5.008 348 2HB ALA 60 HB2 ALA 60 1.010 -9.017 3.944 349 3HB ALA 60 HB1 ALA 60 1.591 -8.735 5.593 350 H GLY 61 H GLY 61 3.840 -5.899 2.710 351 1HA GLY 61 HA1 GLY 61 6.163 -7.083 2.774 352 2HA GLY 61 HA2 GLY 61 5.273 -8.472 2.121 353 H VAL 62 H VAL 62 6.869 -5.538 1.115 354 HA VAL 62 HA VAL 62 5.769 -6.031 -1.619 355 HB VAL 62 HB VAL 62 5.502 -3.645 -2.060 356 1HG1 VAL 62 HG11 VAL 62 4.635 -4.115 0.783 357 2HG1 VAL 62 HG13 VAL 62 4.304 -2.586 -0.118 358 3HG1 VAL 62 HG12 VAL 62 3.636 -4.132 -0.607 359 1HG2 VAL 62 HG22 VAL 62 7.484 -3.134 0.180 360 2HG2 VAL 62 HG21 VAL 62 7.696 -2.903 -1.567 361 3HG2 VAL 62 HG23 VAL 62 6.578 -1.848 -0.696 362 H VAL 63 H VAL 63 7.334 -4.999 -3.297 363 HA VAL 63 HA VAL 63 10.107 -5.219 -2.264 364 HB VAL 63 HB VAL 63 10.605 -7.203 -3.245 365 1HG1 VAL 63 HG11 VAL 63 7.617 -7.387 -3.992 366 2HG1 VAL 63 HG13 VAL 63 8.773 -8.743 -3.991 367 3HG1 VAL 63 HG12 VAL 63 8.355 -7.930 -2.464 368 1HG2 VAL 63 HG21 VAL 63 10.972 -6.040 -5.406 369 2HG2 VAL 63 HG23 VAL 63 10.340 -7.689 -5.640 370 3HG2 VAL 63 HG22 VAL 63 9.251 -6.291 -5.837 371 H VAL 64 H VAL 64 11.496 -3.694 -3.334 372 HA VAL 64 HA VAL 64 9.996 -1.986 -5.284 373 HB VAL 64 HB VAL 64 12.365 -1.308 -3.487 374 1HG1 VAL 64 HG12 VAL 64 12.244 0.046 -5.608 375 2HG1 VAL 64 HG11 VAL 64 10.558 0.494 -5.232 376 3HG1 VAL 64 HG13 VAL 64 11.879 1.051 -4.173 377 1HG2 VAL 64 HG21 VAL 64 10.282 -1.721 -2.142 378 2HG2 VAL 64 HG23 VAL 64 10.730 0.006 -2.139 379 3HG2 VAL 64 HG22 VAL 64 9.385 -0.560 -3.165 380 H ALA 65 H ALA 65 10.811 -2.085 -7.450 381 HA ALA 65 HA ALA 65 13.647 -3.064 -7.825 382 1HB ALA 65 HB2 ALA 65 11.091 -4.138 -9.168 383 2HB ALA 65 HB1 ALA 65 12.768 -4.584 -9.604 384 3HB ALA 65 HB3 ALA 65 12.110 -5.021 -7.998 385 H GLY 66 H GLY 66 14.220 -0.786 -8.393 386 1HA GLY 66 HA1 GLY 66 13.012 1.109 -9.710 387 2HA GLY 66 HA2 GLY 66 14.640 0.643 -10.247 388 H SER 67 H SER 67 11.467 1.112 -11.443 389 HA SER 67 HA SER 67 11.039 0.680 -13.797 390 1HB SER 67 HB2 SER 67 12.850 -0.941 -14.335 391 2HB SER 67 HB1 SER 67 12.024 -2.184 -13.314 392 HG SER 67 HG SER 67 11.406 -2.313 -15.597 393 H GLY 68 H GLY 68 10.380 -1.002 -10.700 394 1HA GLY 68 HA1 GLY 68 7.617 -0.764 -11.161 395 2HA GLY 68 HA2 GLY 68 8.082 -2.450 -11.500 396 H VAL 69 H VAL 69 6.331 -1.896 -9.275 397 HA VAL 69 HA VAL 69 8.138 -2.724 -7.028 398 HB VAL 69 HB VAL 69 5.862 -0.712 -6.785 399 1HG1 VAL 69 HG12 VAL 69 6.073 -2.119 -4.770 400 2HG1 VAL 69 HG11 VAL 69 7.801 -1.728 -4.621 401 3HG1 VAL 69 HG13 VAL 69 6.594 -0.459 -4.415 402 1HG2 VAL 69 HG22 VAL 69 8.902 -0.274 -6.783 403 2HG2 VAL 69 HG21 VAL 69 7.696 0.424 -7.896 404 3HG2 VAL 69 HG23 VAL 69 7.753 0.958 -6.204 405 H GLN 70 H GLN 70 7.145 -4.535 -5.896 406 HA GLN 70 HA GLN 70 4.373 -5.214 -6.856 407 1HB GLN 70 HB2 GLN 70 5.772 -6.968 -7.597 408 2HB GLN 70 HB1 GLN 70 6.826 -6.878 -6.167 409 1HG GLN 70 HG2 GLN 70 5.057 -7.767 -4.710 410 2HG GLN 70 HG1 GLN 70 3.936 -7.854 -6.106 411 1HE2 GLN 70 HE22 GLN 70 6.583 -10.913 -5.482 412 2HE2 GLN 70 HE21 GLN 70 6.441 -9.648 -4.327 413 H ALA 71 H ALA 71 2.796 -5.945 -5.049 414 HA ALA 71 HA ALA 71 3.813 -5.372 -2.396 415 1HB ALA 71 HB2 ALA 71 1.445 -3.929 -3.735 416 2HB ALA 71 HB1 ALA 71 1.719 -3.881 -1.984 417 3HB ALA 71 HB3 ALA 71 2.930 -3.171 -3.109 418 H ILE 72 H ILE 72 2.970 -6.826 -0.794 419 HA ILE 72 HA ILE 72 0.704 -8.452 -1.825 420 HB ILE 72 HB ILE 72 3.486 -9.323 -1.272 421 1HG1 ILE 72 HG12 ILE 72 2.550 -11.315 -2.789 422 2HG1 ILE 72 HG11 ILE 72 1.130 -10.305 -3.028 423 1HG2 ILE 72 HG22 ILE 72 2.396 -10.324 0.701 424 2HG2 ILE 72 HG21 ILE 72 1.195 -11.125 -0.393 425 3HG2 ILE 72 HG23 ILE 72 2.922 -11.551 -0.460 426 1HD1 ILE 72 HD12 ILE 72 2.742 -8.493 -3.981 427 2HD1 ILE 72 HD11 ILE 72 4.061 -9.653 -3.650 428 3HD1 ILE 72 HD13 ILE 72 2.811 -10.036 -4.867 429 H PHE 73 H PHE 73 -1.035 -8.713 -0.425 430 HA PHE 73 HA PHE 73 -0.464 -8.123 2.470 431 1HB PHE 73 HB2 PHE 73 -2.624 -7.205 2.760 432 2HB PHE 73 HB1 PHE 73 -1.607 -6.254 1.654 433 HD1 PHE 73 HD2 PHE 73 -1.854 -6.570 -0.917 434 HD2 PHE 73 HD1 PHE 73 -4.934 -7.277 1.998 435 HE1 PHE 73 HE2 PHE 73 -3.551 -6.561 -2.703 436 HE2 PHE 73 HE1 PHE 73 -6.642 -7.202 0.194 437 HZ PHE 73 HZ PHE 73 -5.960 -6.775 -2.150 438 H GLY 74 H GLY 74 0.208 -10.467 1.577 439 1HA GLY 74 HA1 GLY 74 -2.123 -12.339 1.783 440 2HA GLY 74 HA2 GLY 74 -0.496 -12.705 1.173 441 H THR 75 H THR 75 -1.579 -14.224 3.371 442 HA THR 75 HA THR 75 -0.618 -15.117 5.253 443 HB THR 75 HB THR 75 1.301 -12.774 5.614 444 HG1 THR 75 HG1 THR 75 1.607 -14.959 3.776 445 1HG2 THR 75 HG22 THR 75 1.498 -15.787 6.245 446 2HG2 THR 75 HG21 THR 75 2.786 -14.572 6.485 447 3HG2 THR 75 HG23 THR 75 1.261 -14.454 7.426 448 H LYS 76 H LYS 76 -1.269 -11.455 5.390 449 HA LYS 76 HA LYS 76 -3.283 -12.186 7.417 450 1HB LYS 76 HB2 LYS 76 -2.424 -10.711 9.098 451 2HB LYS 76 HB1 LYS 76 -1.195 -11.907 8.716 452 1HG LYS 76 HG2 LYS 76 -0.863 -9.387 7.092 453 2HG LYS 76 HG1 LYS 76 -0.835 -9.107 8.841 454 1HD LYS 76 HD2 LYS 76 0.971 -11.108 8.881 455 2HD LYS 76 HD1 LYS 76 1.105 -10.718 7.148 456 1HE LYS 76 HE2 LYS 76 2.803 -9.396 8.237 457 2HE LYS 76 HE1 LYS 76 1.478 -8.233 7.957 458 1HZ LYS 76 HZ2 LYS 76 0.784 -8.572 10.368 459 2HZ LYS 76 HZ1 LYS 76 2.096 -9.693 10.552 460 3HZ LYS 76 HZ3 LYS 76 2.395 -8.011 10.215 461 H SER 77 H SER 77 -4.087 -11.644 4.995 462 HA SER 77 HA SER 77 -4.151 -8.879 4.316 463 1HB SER 77 HB2 SER 77 -6.570 -10.548 3.486 464 2HB SER 77 HB1 SER 77 -5.540 -9.505 2.495 465 HG SER 77 HG SER 77 -3.955 -11.279 2.667 466 H ASP 78 H ASP 78 -6.655 -11.071 5.851 467 HA ASP 78 HA ASP 78 -8.590 -9.072 6.235 468 1HB ASP 78 HB2 ASP 78 -7.953 -11.524 7.984 469 2HB ASP 78 HB1 ASP 78 -9.435 -10.538 8.141 470 H ASN 79 H ASN 79 -5.761 -9.963 8.383 471 HA ASN 79 HA ASN 79 -6.534 -8.239 10.504 472 1HB ASN 79 HB2 ASN 79 -4.598 -9.871 10.661 473 2HB ASN 79 HB1 ASN 79 -3.687 -8.838 9.519 474 1HD2 ASN 79 HD22 ASN 79 -2.266 -7.424 12.481 475 2HD2 ASN 79 HD21 ASN 79 -1.966 -8.465 11.140 476 H LEU 80 H LEU 80 -4.551 -7.655 7.492 477 HA LEU 80 HA LEU 80 -3.998 -4.895 8.199 478 1HB LEU 80 HB2 LEU 80 -3.687 -6.495 5.646 479 2HB LEU 80 HB1 LEU 80 -3.627 -4.727 5.597 480 HG LEU 80 HG LEU 80 -1.405 -6.129 5.882 481 1HD1 LEU 80 HD11 LEU 80 -1.980 -3.592 7.548 482 2HD1 LEU 80 HD13 LEU 80 -0.359 -4.218 7.146 483 3HD1 LEU 80 HD12 LEU 80 -1.449 -3.690 5.841 484 1HD2 LEU 80 HD21 LEU 80 -2.202 -7.369 8.010 485 2HD2 LEU 80 HD23 LEU 80 -0.610 -6.576 8.113 486 3HD2 LEU 80 HD22 LEU 80 -2.023 -5.830 8.887 487 H LYS 81 H LYS 81 -6.173 -6.220 5.605 488 HA LYS 81 HA LYS 81 -7.545 -3.936 5.230 489 1HB LYS 81 HB2 LYS 81 -7.997 -6.553 4.322 490 2HB LYS 81 HB1 LYS 81 -9.407 -6.318 5.349 491 1HG LYS 81 HG2 LYS 81 -9.809 -5.776 2.969 492 2HG LYS 81 HG1 LYS 81 -10.096 -4.354 4.002 493 1HD LYS 81 HD2 LYS 81 -8.850 -4.011 1.725 494 2HD LYS 81 HD1 LYS 81 -8.183 -3.176 3.137 495 1HE LYS 81 HE2 LYS 81 -6.380 -4.866 3.362 496 2HE LYS 81 HE1 LYS 81 -7.152 -5.873 2.115 497 1HZ LYS 81 HZ1 LYS 81 -6.108 -3.044 1.641 498 2HZ LYS 81 HZ3 LYS 81 -5.172 -4.461 1.323 499 3HZ LYS 81 HZ2 LYS 81 -6.626 -4.170 0.430 500 H THR 82 H THR 82 -8.010 -5.952 8.160 501 HA THR 82 HA THR 82 -10.365 -4.548 9.031 502 HB THR 82 HB THR 82 -8.237 -6.128 10.557 503 HG1 THR 82 HG1 THR 82 -10.106 -7.548 10.643 504 1HG2 THR 82 HG22 THR 82 -10.718 -4.685 11.686 505 2HG2 THR 82 HG21 THR 82 -9.790 -5.958 12.539 506 3HG2 THR 82 HG23 THR 82 -9.005 -4.406 12.145 507 H GLU 83 H GLU 83 -6.951 -4.119 10.357 508 HA GLU 83 HA GLU 83 -7.575 -1.652 11.518 509 1HB GLU 83 HB2 GLU 83 -5.210 -1.157 11.651 510 2HB GLU 83 HB1 GLU 83 -5.501 -2.863 12.070 511 1HG GLU 83 HG2 GLU 83 -4.823 -3.540 9.752 512 2HG GLU 83 HG1 GLU 83 -4.415 -1.864 9.339 513 H MET 84 H MET 84 -6.718 -2.301 8.033 514 HA MET 84 HA MET 84 -6.401 0.465 7.439 515 1HB MET 84 HB2 MET 84 -7.428 -1.631 5.452 516 2HB MET 84 HB1 MET 84 -6.800 0.002 5.131 517 1HG MET 84 HG2 MET 84 -4.570 -0.840 6.319 518 2HG MET 84 HG1 MET 84 -5.239 -2.471 6.098 519 1HE MET 84 HE1 MET 84 -3.648 0.610 4.625 520 2HE MET 84 HE3 MET 84 -3.577 0.311 2.859 521 3HE MET 84 HE2 MET 84 -5.110 0.845 3.623 522 H ASP 85 H ASP 85 -9.295 -1.755 7.414 523 HA ASP 85 HA ASP 85 -11.128 -0.005 6.369 524 1HB ASP 85 HB2 ASP 85 -11.701 -2.343 7.079 525 2HB ASP 85 HB1 ASP 85 -11.724 -1.801 8.783 526 H GLU 86 H GLU 86 -9.975 -0.180 9.856 527 HA GLU 86 HA GLU 86 -11.589 1.975 10.745 528 1HB GLU 86 HB2 GLU 86 -8.860 0.985 11.767 529 2HB GLU 86 HB1 GLU 86 -9.669 2.419 12.455 530 1HG GLU 86 HG2 GLU 86 -11.706 1.073 12.993 531 2HG GLU 86 HG1 GLU 86 -10.895 -0.397 12.380 532 H TYR 87 H TYR 87 -8.268 1.987 9.185 533 HA TYR 87 HA TYR 87 -7.741 4.683 9.789 534 1HB TYR 87 HB1 TYR 87 -6.925 3.372 7.148 535 2HB TYR 87 HB2 TYR 87 -6.110 4.710 7.992 536 HD1 TYR 87 HD1 TYR 87 -6.472 3.065 10.868 537 HD2 TYR 87 HD2 TYR 87 -4.605 2.426 7.028 538 HE1 TYR 87 HE1 TYR 87 -4.960 1.433 11.872 539 HE2 TYR 87 HE2 TYR 87 -3.274 0.584 8.008 540 HH TYR 87 HH TYR 87 -2.965 0.121 11.512 541 H ILE 88 H ILE 88 -9.481 3.338 6.846 542 HA ILE 88 HA ILE 88 -9.775 5.975 5.735 543 HB ILE 88 HB ILE 88 -11.716 3.681 5.190 544 1HG1 ILE 88 HG12 ILE 88 -9.770 3.788 3.041 545 2HG1 ILE 88 HG11 ILE 88 -8.809 3.836 4.524 546 1HG2 ILE 88 HG22 ILE 88 -12.403 5.932 4.341 547 2HG2 ILE 88 HG21 ILE 88 -10.850 6.083 3.467 548 3HG2 ILE 88 HG23 ILE 88 -12.027 4.820 3.000 549 1HD1 ILE 88 HD12 ILE 88 -10.176 1.772 5.299 550 2HD1 ILE 88 HD11 ILE 88 -10.883 1.703 3.675 551 3HD1 ILE 88 HD13 ILE 88 -9.118 1.479 3.899 552 H ARG 89 H ARG 89 -11.854 3.924 7.913 553 HA ARG 89 HA ARG 89 -14.021 5.837 7.954 554 1HB ARG 89 HB2 ARG 89 -13.188 3.621 9.926 555 2HB ARG 89 HB1 ARG 89 -14.670 4.591 10.115 556 1HG ARG 89 HG2 ARG 89 -15.601 3.800 8.014 557 2HG ARG 89 HG1 ARG 89 -14.048 3.099 7.507 558 1HD ARG 89 HD2 ARG 89 -14.412 1.117 8.800 559 2HD ARG 89 HD1 ARG 89 -15.217 2.037 10.066 560 HE ARG 89 HE ARG 89 -17.251 1.520 9.204 561 1HH1 ARG 89 HH11 ARG 89 -14.900 1.292 6.480 562 2HH1 ARG 89 HH12 ARG 89 -16.172 0.939 5.324 563 1HH2 ARG 89 HH21 ARG 89 -18.788 1.005 7.667 564 2HH2 ARG 89 HH22 ARG 89 -18.328 0.734 5.985 565 H ASN 90 H ASN 90 -10.901 5.678 9.676 566 HA ASN 90 HA ASN 90 -11.647 7.703 11.635 567 1HB ASN 90 HB2 ASN 90 -9.838 6.030 12.051 568 2HB ASN 90 HB1 ASN 90 -8.913 6.674 10.673 569 1HD2 ASN 90 HD22 ASN 90 -7.084 8.423 13.162 570 2HD2 ASN 90 HD21 ASN 90 -7.062 7.078 12.087 571 H PHE 91 H PHE 91 -10.632 7.760 8.201 572 HA PHE 91 HA PHE 91 -10.231 10.747 8.426 573 1HB PHE 91 HB2 PHE 91 -8.377 8.666 7.794 574 2HB PHE 91 HB1 PHE 91 -8.768 9.343 6.226 575 HD1 PHE 91 HD2 PHE 91 -8.172 10.693 9.749 576 HD2 PHE 91 HD1 PHE 91 -6.970 10.817 5.609 577 HE1 PHE 91 HE2 PHE 91 -6.495 12.431 10.282 578 HE2 PHE 91 HE1 PHE 91 -5.209 12.457 6.175 579 HZ PHE 91 HZ PHE 91 -4.984 13.294 8.504 580 H GLY 92 H GLY 92 -12.745 9.049 7.685 581 1HA GLY 92 HA1 GLY 92 -12.881 9.716 4.766 582 2HA GLY 92 HA2 GLY 92 -14.019 8.710 5.685 No H/Q in entry = 582 Start of MODEL 5 1 H MET 15 H MET 15 -2.325 8.073 11.960 2 HA MET 15 HA MET 15 -1.020 7.971 9.889 3 1HB MET 15 HB2 MET 15 0.701 6.217 10.493 4 2HB MET 15 HB1 MET 15 0.283 7.325 11.837 5 1HG MET 15 HG2 MET 15 -1.278 5.599 12.804 6 2HG MET 15 HG1 MET 15 -0.832 4.462 11.490 7 1HE MET 15 HE2 MET 15 -0.621 3.814 14.576 8 2HE MET 15 HE1 MET 15 -0.107 2.645 13.312 9 3HE MET 15 HE3 MET 15 0.984 3.022 14.686 10 H ALA 16 H ALA 16 -3.084 4.971 10.482 11 HA ALA 16 HA ALA 16 -2.207 3.717 8.106 12 1HB ALA 16 HB3 ALA 16 -3.724 2.581 9.732 13 2HB ALA 16 HB2 ALA 16 -5.091 3.567 9.138 14 3HB ALA 16 HB1 ALA 16 -4.257 2.446 8.024 15 HA PRO 17 HA PRO 17 -5.276 6.314 5.529 16 1HB PRO 17 HB2 PRO 17 -5.890 8.898 6.486 17 2HB PRO 17 HB1 PRO 17 -6.939 7.468 6.611 18 1HG PRO 17 HG2 PRO 17 -5.439 8.781 8.799 19 2HG PRO 17 HG1 PRO 17 -6.826 7.663 8.899 20 1HD PRO 17 HD2 PRO 17 -4.054 7.064 9.358 21 2HD PRO 17 HD1 PRO 17 -5.399 5.865 9.329 22 H ALA 18 H ALA 18 -3.101 8.559 7.490 23 HA ALA 18 HA ALA 18 -2.252 9.986 5.191 24 1HB ALA 18 HB3 ALA 18 -1.698 10.730 7.533 25 2HB ALA 18 HB2 ALA 18 -0.580 9.337 7.707 26 3HB ALA 18 HB1 ALA 18 -0.227 10.625 6.513 27 H LEU 19 H LEU 19 -1.036 6.901 6.697 28 HA LEU 19 HA LEU 19 1.253 6.895 4.996 29 1HB LEU 19 HB2 LEU 19 0.840 5.529 7.283 30 2HB LEU 19 HB1 LEU 19 0.330 4.256 6.147 31 HG LEU 19 HG LEU 19 2.614 3.863 6.668 32 1HD1 LEU 19 HD12 LEU 19 2.171 3.708 4.267 33 2HD1 LEU 19 HD11 LEU 19 2.672 5.392 3.975 34 3HD1 LEU 19 HD13 LEU 19 3.864 4.221 4.543 35 1HD2 LEU 19 HD22 LEU 19 3.255 6.842 6.273 36 2HD2 LEU 19 HD21 LEU 19 3.225 5.944 7.811 37 3HD2 LEU 19 HD23 LEU 19 4.453 5.558 6.582 38 H VAL 20 H VAL 20 -1.724 4.636 4.986 39 HA VAL 20 HA VAL 20 -1.159 3.565 2.554 40 HB VAL 20 HB VAL 20 -3.175 2.975 4.053 41 1HG1 VAL 20 HG12 VAL 20 -4.245 5.307 3.806 42 2HG1 VAL 20 HG11 VAL 20 -4.691 4.855 2.148 43 3HG1 VAL 20 HG13 VAL 20 -5.350 3.938 3.536 44 1HG2 VAL 20 HG22 VAL 20 -3.536 2.900 0.985 45 2HG2 VAL 20 HG21 VAL 20 -2.671 1.690 1.968 46 3HG2 VAL 20 HG23 VAL 20 -4.427 1.899 2.157 47 H ALA 21 H ALA 21 -2.455 6.880 3.144 48 HA ALA 21 HA ALA 21 -3.253 7.294 0.483 49 1HB ALA 21 HB3 ALA 21 -4.018 8.858 2.246 50 2HB ALA 21 HB2 ALA 21 -2.337 9.404 2.523 51 3HB ALA 21 HB1 ALA 21 -3.148 9.753 0.971 52 H ALA 22 H ALA 22 -0.102 7.835 2.204 53 HA ALA 22 HA ALA 22 1.264 9.305 0.309 54 1HB ALA 22 HB3 ALA 22 2.215 8.633 2.537 55 2HB ALA 22 HB2 ALA 22 2.353 6.956 1.935 56 3HB ALA 22 HB1 ALA 22 3.366 8.252 1.225 57 H PHE 23 H PHE 23 0.377 5.850 -0.172 58 HA PHE 23 HA PHE 23 1.722 6.103 -2.819 59 1HB PHE 23 HB2 PHE 23 3.071 4.718 -1.138 60 2HB PHE 23 HB1 PHE 23 1.805 3.458 -1.434 61 HD1 PHE 23 HD2 PHE 23 3.559 5.795 -3.978 62 HD2 PHE 23 HD1 PHE 23 3.153 1.786 -2.399 63 HE1 PHE 23 HE2 PHE 23 5.272 4.990 -5.516 64 HE2 PHE 23 HE1 PHE 23 4.630 0.962 -4.183 65 HZ PHE 23 HZ PHE 23 5.673 2.556 -5.786 66 H GLY 24 H GLY 24 -0.842 4.133 -1.000 67 1HA GLY 24 HA1 GLY 24 -2.131 3.485 -3.501 68 2HA GLY 24 HA2 GLY 24 -2.821 3.327 -1.864 69 H GLY 25 H GLY 25 -2.148 6.411 -1.437 70 1HA GLY 25 HA1 GLY 25 -4.660 7.351 -2.758 71 2HA GLY 25 HA2 GLY 25 -3.775 8.217 -1.496 72 H LYS 26 H LYS 26 -1.644 6.926 -3.994 73 HA LYS 26 HA LYS 26 -1.480 9.687 -5.157 74 1HB LYS 26 HB2 LYS 26 0.383 7.311 -5.477 75 2HB LYS 26 HB1 LYS 26 0.718 9.012 -5.945 76 1HG LYS 26 HG2 LYS 26 0.369 7.940 -3.100 77 2HG LYS 26 HG1 LYS 26 1.933 8.094 -3.948 78 1HD LYS 26 HD2 LYS 26 0.443 10.679 -3.845 79 2HD LYS 26 HD1 LYS 26 0.696 9.988 -2.235 80 1HE LYS 26 HE2 LYS 26 2.689 11.122 -2.291 81 2HE LYS 26 HE1 LYS 26 3.288 9.698 -3.134 82 1HZ LYS 26 HZ2 LYS 26 2.733 10.871 -5.300 83 2HZ LYS 26 HZ1 LYS 26 2.292 12.279 -4.366 84 3HZ LYS 26 HZ3 LYS 26 3.924 11.696 -4.335 85 H GLU 27 H GLU 27 -3.877 8.583 -5.832 86 HA GLU 27 HA GLU 27 -3.802 6.349 -7.518 87 1HB GLU 27 HB2 GLU 27 -6.042 6.781 -8.160 88 2HB GLU 27 HB1 GLU 27 -5.893 7.483 -6.530 89 1HG GLU 27 HG2 GLU 27 -5.476 9.766 -7.712 90 2HG GLU 27 HG1 GLU 27 -5.812 8.940 -9.263 91 H ASN 28 H ASN 28 -2.847 9.682 -8.227 92 HA ASN 28 HA ASN 28 -2.914 9.632 -11.015 93 1HB ASN 28 HB2 ASN 28 -2.278 11.595 -9.552 94 2HB ASN 28 HB1 ASN 28 -0.733 10.788 -9.170 95 1HD2 ASN 28 HD22 ASN 28 0.589 12.737 -11.885 96 2HD2 ASN 28 HD21 ASN 28 0.708 12.349 -10.208 97 H ILE 29 H ILE 29 -1.038 7.392 -9.085 98 HA ILE 29 HA ILE 29 1.325 7.198 -10.384 99 HB ILE 29 HB ILE 29 -0.628 5.078 -9.346 100 1HG1 ILE 29 HG12 ILE 29 0.230 5.611 -7.295 101 2HG1 ILE 29 HG11 ILE 29 1.720 4.845 -7.796 102 1HG2 ILE 29 HG22 ILE 29 0.486 3.797 -10.991 103 2HG2 ILE 29 HG21 ILE 29 2.104 4.286 -10.384 104 3HG2 ILE 29 HG23 ILE 29 1.075 3.259 -9.413 105 1HD1 ILE 29 HD12 ILE 29 2.635 7.072 -8.569 106 2HD1 ILE 29 HD11 ILE 29 1.142 7.842 -7.990 107 3HD1 ILE 29 HD13 ILE 29 2.253 7.014 -6.850 108 H THR 30 H THR 30 2.368 5.850 -11.985 109 HA THR 30 HA THR 30 0.961 6.054 -14.474 110 HB THR 30 HB THR 30 3.046 5.078 -15.466 111 HG1 THR 30 HG1 THR 30 3.857 3.808 -13.676 112 1HG2 THR 30 HG22 THR 30 3.370 7.424 -13.480 113 2HG2 THR 30 HG21 THR 30 4.544 6.981 -14.746 114 3HG2 THR 30 HG23 THR 30 2.905 7.526 -15.203 115 H ASN 31 H ASN 31 2.014 3.013 -12.546 116 HA ASN 31 HA ASN 31 -0.275 1.716 -13.976 117 1HB ASN 31 HB2 ASN 31 2.026 1.168 -14.987 118 2HB ASN 31 HB1 ASN 31 2.417 0.403 -13.433 119 1HD2 ASN 31 HD22 ASN 31 -0.374 -1.387 -15.943 120 2HD2 ASN 31 HD21 ASN 31 -0.064 0.306 -16.108 121 H LEU 32 H LEU 32 -1.428 0.087 -12.796 122 HA LEU 32 HA LEU 32 -0.572 -0.381 -9.945 123 1HB LEU 32 HB2 LEU 32 -3.243 0.367 -11.198 124 2HB LEU 32 HB1 LEU 32 -3.294 -0.813 -9.880 125 HG LEU 32 HG LEU 32 -3.781 1.707 -9.412 126 1HD1 LEU 32 HD11 LEU 32 -2.073 0.075 -7.493 127 2HD1 LEU 32 HD13 LEU 32 -3.009 1.518 -7.061 128 3HD1 LEU 32 HD12 LEU 32 -3.836 0.049 -7.631 129 1HD2 LEU 32 HD21 LEU 32 -1.623 2.634 -10.392 130 2HD2 LEU 32 HD23 LEU 32 -1.855 3.074 -8.669 131 3HD2 LEU 32 HD22 LEU 32 -0.735 1.768 -9.103 132 H ASP 33 H ASP 33 -1.392 -2.546 -9.156 133 HA ASP 33 HA ASP 33 -2.354 -4.375 -11.268 134 1HB ASP 33 HB2 ASP 33 0.415 -4.244 -10.717 135 2HB ASP 33 HB1 ASP 33 -0.136 -5.727 -9.864 136 H ALA 34 H ALA 34 -4.217 -3.804 -9.802 137 HA ALA 34 HA ALA 34 -4.074 -4.797 -7.076 138 1HB ALA 34 HB3 ALA 34 -5.537 -2.885 -7.664 139 2HB ALA 34 HB2 ALA 34 -6.541 -3.961 -8.676 140 3HB ALA 34 HB1 ALA 34 -6.458 -4.219 -6.909 141 H CYS 35 H CYS 35 -5.304 -6.653 -6.180 142 HA CYS 35 HA CYS 35 -6.636 -8.456 -7.977 143 1HB CYS 35 HB2 CYS 35 -3.747 -8.641 -7.979 144 2HB CYS 35 HB1 CYS 35 -4.329 -10.051 -7.050 145 HG CYS 35 HG CYS 35 -4.125 -10.644 -9.486 146 H ILE 36 H ILE 36 -6.688 -10.834 -6.778 147 HA ILE 36 HA ILE 36 -8.479 -10.486 -4.875 148 HB ILE 36 HB ILE 36 -8.197 -12.661 -3.907 149 1HG1 ILE 36 HG12 ILE 36 -5.809 -12.981 -3.529 150 2HG1 ILE 36 HG11 ILE 36 -6.477 -14.302 -4.488 151 1HG2 ILE 36 HG22 ILE 36 -9.245 -12.432 -6.167 152 2HG2 ILE 36 HG21 ILE 36 -7.712 -12.895 -6.946 153 3HG2 ILE 36 HG23 ILE 36 -8.542 -14.043 -5.876 154 1HD1 ILE 36 HD11 ILE 36 -4.817 -12.028 -5.745 155 2HD1 ILE 36 HD13 ILE 36 -4.217 -13.620 -5.246 156 3HD1 ILE 36 HD12 ILE 36 -5.423 -13.491 -6.554 157 H THR 37 H THR 37 -4.980 -10.835 -3.833 158 HA THR 37 HA THR 37 -5.670 -9.118 -1.520 159 HB THR 37 HB THR 37 -4.481 -11.949 -1.340 160 HG1 THR 37 HG1 THR 37 -7.033 -10.982 -0.450 161 1HG2 THR 37 HG22 THR 37 -5.045 -9.860 0.860 162 2HG2 THR 37 HG21 THR 37 -4.783 -11.595 1.193 163 3HG2 THR 37 HG23 THR 37 -3.480 -10.633 0.461 164 H ARG 38 H ARG 38 -4.467 -8.460 -3.963 165 HA ARG 38 HA ARG 38 -1.641 -8.096 -3.147 166 1HB ARG 38 HB2 ARG 38 -1.505 -9.950 -4.692 167 2HB ARG 38 HB1 ARG 38 -2.675 -9.180 -5.788 168 1HG ARG 38 HG2 ARG 38 -1.065 -7.382 -6.396 169 2HG ARG 38 HG1 ARG 38 0.057 -7.987 -5.165 170 1HD ARG 38 HD2 ARG 38 1.007 -8.874 -7.103 171 2HD ARG 38 HD1 ARG 38 0.003 -10.257 -6.559 172 HE ARG 38 HE ARG 38 -1.466 -8.582 -8.415 173 1HH1 ARG 38 HH11 ARG 38 1.325 -10.850 -8.357 174 2HH1 ARG 38 HH12 ARG 38 1.086 -11.301 -10.037 175 1HH2 ARG 38 HH21 ARG 38 -1.696 -9.232 -10.571 176 2HH2 ARG 38 HH22 ARG 38 -0.578 -10.405 -11.271 177 H LEU 39 H LEU 39 -0.831 -6.004 -3.761 178 HA LEU 39 HA LEU 39 -2.466 -4.426 -5.590 179 1HB LEU 39 HB2 LEU 39 -2.612 -4.205 -2.639 180 2HB LEU 39 HB1 LEU 39 -2.084 -2.677 -3.339 181 HG LEU 39 HG LEU 39 -4.556 -4.144 -4.453 182 1HD1 LEU 39 HD11 LEU 39 -4.546 -2.168 -2.098 183 2HD1 LEU 39 HD13 LEU 39 -6.002 -2.726 -2.976 184 3HD1 LEU 39 HD12 LEU 39 -5.027 -3.887 -2.043 185 1HD2 LEU 39 HD21 LEU 39 -3.525 -2.249 -5.800 186 2HD2 LEU 39 HD23 LEU 39 -5.176 -1.869 -5.246 187 3HD2 LEU 39 HD22 LEU 39 -3.770 -1.168 -4.404 188 H ARG 40 H ARG 40 -1.087 -3.230 -6.930 189 HA ARG 40 HA ARG 40 1.737 -2.894 -5.916 190 1HB ARG 40 HB2 ARG 40 1.905 -4.763 -7.458 191 2HB ARG 40 HB1 ARG 40 0.592 -4.126 -8.429 192 1HG ARG 40 HG2 ARG 40 1.918 -2.433 -9.526 193 2HG ARG 40 HG1 ARG 40 3.236 -2.646 -8.380 194 1HD ARG 40 HD2 ARG 40 3.148 -5.171 -9.382 195 2HD ARG 40 HD1 ARG 40 2.700 -4.263 -10.848 196 HE ARG 40 HE ARG 40 4.947 -2.933 -9.810 197 1HH1 ARG 40 HH11 ARG 40 4.182 -6.225 -11.053 198 2HH1 ARG 40 HH12 ARG 40 5.862 -6.530 -11.461 199 1HH2 ARG 40 HH21 ARG 40 7.064 -3.417 -10.373 200 2HH2 ARG 40 HH22 ARG 40 7.460 -4.966 -11.118 201 H VAL 41 H VAL 41 2.933 -1.081 -6.743 202 HA VAL 41 HA VAL 41 1.235 0.857 -8.227 203 HB VAL 41 HB VAL 41 2.593 2.179 -6.038 204 1HG1 VAL 41 HG12 VAL 41 0.453 2.976 -7.211 205 2HG1 VAL 41 HG11 VAL 41 -0.438 1.699 -6.371 206 3HG1 VAL 41 HG13 VAL 41 0.369 2.997 -5.443 207 1HG2 VAL 41 HG21 VAL 41 2.489 0.007 -4.682 208 2HG2 VAL 41 HG23 VAL 41 1.387 1.237 -4.043 209 3HG2 VAL 41 HG22 VAL 41 0.748 -0.078 -5.029 210 H SER 42 H SER 42 2.607 0.524 -10.138 211 HA SER 42 HA SER 42 5.491 0.822 -9.657 212 1HB SER 42 HB2 SER 42 4.443 0.609 -12.466 213 2HB SER 42 HB1 SER 42 5.862 -0.162 -11.755 214 HG SER 42 HG SER 42 4.087 -1.690 -12.093 215 H VAL 43 H VAL 43 6.545 2.853 -9.863 216 HA VAL 43 HA VAL 43 5.296 4.954 -11.498 217 HB VAL 43 HB VAL 43 3.874 5.606 -9.826 218 1HG1 VAL 43 HG11 VAL 43 5.394 3.801 -7.901 219 2HG1 VAL 43 HG13 VAL 43 3.949 4.737 -7.439 220 3HG1 VAL 43 HG12 VAL 43 3.787 3.486 -8.665 221 1HG2 VAL 43 HG22 VAL 43 6.429 6.248 -8.278 222 2HG2 VAL 43 HG21 VAL 43 5.502 7.399 -9.331 223 3HG2 VAL 43 HG23 VAL 43 4.839 6.852 -7.793 224 H ALA 44 H ALA 44 6.614 7.085 -11.323 225 HA ALA 44 HA ALA 44 9.384 6.508 -11.413 226 1HB ALA 44 HB2 ALA 44 8.023 9.219 -10.894 227 2HB ALA 44 HB1 ALA 44 9.751 8.965 -11.294 228 3HB ALA 44 HB3 ALA 44 8.479 8.535 -12.479 229 H ASP 45 H ASP 45 7.575 8.282 -8.733 230 HA ASP 45 HA ASP 45 9.229 8.763 -6.868 231 1HB ASP 45 HB2 ASP 45 6.834 7.029 -6.104 232 2HB ASP 45 HB1 ASP 45 7.749 8.134 -5.053 233 H VAL 46 H VAL 46 8.303 5.449 -5.640 234 HA VAL 46 HA VAL 46 9.712 4.008 -4.621 235 HB VAL 46 HB VAL 46 10.548 2.536 -6.108 236 1HG1 VAL 46 HG12 VAL 46 8.362 3.472 -7.059 237 2HG1 VAL 46 HG11 VAL 46 9.348 4.505 -8.122 238 3HG1 VAL 46 HG13 VAL 46 9.436 2.734 -8.300 239 1HG2 VAL 46 HG22 VAL 46 11.910 4.818 -7.682 240 2HG2 VAL 46 HG21 VAL 46 12.701 3.539 -6.699 241 3HG2 VAL 46 HG23 VAL 46 11.864 3.106 -8.198 242 H SER 47 H SER 47 10.561 6.968 -4.254 243 HA SER 47 HA SER 47 13.338 6.335 -3.327 244 1HB SER 47 HB2 SER 47 13.632 7.270 -5.516 245 2HB SER 47 HB1 SER 47 12.416 8.539 -5.256 246 HG SER 47 HG SER 47 14.914 8.389 -3.835 247 H LYS 48 H LYS 48 11.326 9.398 -3.409 248 HA LYS 48 HA LYS 48 11.857 9.710 -0.578 249 1HB LYS 48 HB2 LYS 48 10.988 11.816 -0.754 250 2HB LYS 48 HB1 LYS 48 11.252 11.553 -2.484 251 1HG LYS 48 HG2 LYS 48 8.640 11.431 -0.856 252 2HG LYS 48 HG1 LYS 48 9.100 12.614 -2.088 253 1HD LYS 48 HD2 LYS 48 9.127 10.074 -3.458 254 2HD LYS 48 HD1 LYS 48 7.684 10.051 -2.412 255 1HE LYS 48 HE2 LYS 48 6.912 10.919 -4.476 256 2HE LYS 48 HE1 LYS 48 7.069 12.358 -3.441 257 1HZ LYS 48 HZ2 LYS 48 9.298 12.775 -4.525 258 2HZ LYS 48 HZ1 LYS 48 9.047 11.376 -5.528 259 3HZ LYS 48 HZ3 LYS 48 7.988 12.744 -5.686 260 H VAL 49 H VAL 49 9.394 8.004 -2.404 261 HA VAL 49 HA VAL 49 7.175 8.216 -0.838 262 HB VAL 49 HB VAL 49 7.403 6.948 -2.990 263 1HG1 VAL 49 HG12 VAL 49 9.500 5.671 -2.454 264 2HG1 VAL 49 HG11 VAL 49 8.618 4.669 -1.296 265 3HG1 VAL 49 HG13 VAL 49 8.181 4.621 -3.022 266 1HG2 VAL 49 HG22 VAL 49 5.954 5.436 -0.747 267 2HG2 VAL 49 HG21 VAL 49 5.309 6.678 -1.857 268 3HG2 VAL 49 HG23 VAL 49 5.829 5.085 -2.482 269 H ASP 50 H ASP 50 6.246 6.960 0.991 270 HA ASP 50 HA ASP 50 8.360 5.936 2.851 271 1HB ASP 50 HB2 ASP 50 6.654 6.319 4.599 272 2HB ASP 50 HB1 ASP 50 6.889 7.779 3.603 273 H GLN 51 H GLN 51 8.008 4.054 0.822 274 HA GLN 51 HA GLN 51 5.756 2.325 1.294 275 1HB GLN 51 HB2 GLN 51 8.493 1.643 0.209 276 2HB GLN 51 HB1 GLN 51 7.104 0.521 0.146 277 1HG GLN 51 HG2 GLN 51 5.848 1.810 -1.391 278 2HG GLN 51 HG1 GLN 51 6.717 3.288 -1.038 279 1HE2 GLN 51 HE22 GLN 51 9.429 1.758 -3.403 280 2HE2 GLN 51 HE21 GLN 51 9.524 1.495 -1.727 281 H ALA 52 H ALA 52 9.182 2.528 2.541 282 HA ALA 52 HA ALA 52 9.482 0.313 4.046 283 1HB ALA 52 HB3 ALA 52 11.035 2.286 4.143 284 2HB ALA 52 HB2 ALA 52 9.816 3.213 5.072 285 3HB ALA 52 HB1 ALA 52 10.592 1.767 5.799 286 H GLY 53 H GLY 53 7.148 3.003 4.904 287 1HA GLY 53 HA1 GLY 53 6.148 1.396 7.199 288 2HA GLY 53 HA2 GLY 53 5.547 2.984 6.665 289 H LEU 54 H LEU 54 5.091 2.382 3.832 290 HA LEU 54 HA LEU 54 2.447 1.431 4.265 291 1HB LEU 54 HB2 LEU 54 3.514 2.911 2.297 292 2HB LEU 54 HB1 LEU 54 3.620 1.375 1.426 293 HG LEU 54 HG LEU 54 0.896 1.939 2.658 294 1HD1 LEU 54 HD11 LEU 54 2.139 3.947 0.743 295 2HD1 LEU 54 HD13 LEU 54 0.377 3.672 0.835 296 3HD1 LEU 54 HD12 LEU 54 1.310 4.216 2.236 297 1HD2 LEU 54 HD22 LEU 54 1.724 1.266 -0.219 298 2HD2 LEU 54 HD21 LEU 54 1.219 0.070 1.005 299 3HD2 LEU 54 HD23 LEU 54 0.057 1.277 0.413 300 H LYS 55 H LYS 55 5.371 -0.309 3.680 301 HA LYS 55 HA LYS 55 4.048 -2.542 2.445 302 1HB LYS 55 HB2 LYS 55 6.323 -3.645 2.507 303 2HB LYS 55 HB1 LYS 55 6.307 -1.963 1.868 304 1HG LYS 55 HG2 LYS 55 8.290 -2.154 3.033 305 2HG LYS 55 HG1 LYS 55 7.299 -1.252 4.144 306 1HD LYS 55 HD2 LYS 55 7.691 -2.741 5.792 307 2HD LYS 55 HD1 LYS 55 6.916 -4.041 4.845 308 1HE LYS 55 HE2 LYS 55 9.868 -3.161 4.536 309 2HE LYS 55 HE1 LYS 55 9.333 -4.495 5.585 310 1HZ LYS 55 HZ1 LYS 55 8.845 -4.442 2.583 311 2HZ LYS 55 HZ3 LYS 55 10.117 -5.301 3.390 312 3HZ LYS 55 HZ2 LYS 55 8.458 -5.719 3.685 313 H LYS 56 H LYS 56 5.183 -1.818 5.713 314 HA LYS 56 HA LYS 56 3.918 -4.404 6.621 315 1HB LYS 56 HB2 LYS 56 5.129 -4.200 8.670 316 2HB LYS 56 HB1 LYS 56 6.228 -4.067 7.288 317 1HG LYS 56 HG2 LYS 56 6.114 -1.451 7.639 318 2HG LYS 56 HG1 LYS 56 5.277 -1.800 9.163 319 1HD LYS 56 HD2 LYS 56 8.051 -2.897 8.333 320 2HD LYS 56 HD1 LYS 56 7.841 -1.385 9.230 321 1HE LYS 56 HE2 LYS 56 7.498 -2.466 11.250 322 2HE LYS 56 HE1 LYS 56 6.418 -3.680 10.548 323 1HZ LYS 56 HZ1 LYS 56 9.438 -3.733 10.296 324 2HZ LYS 56 HZ3 LYS 56 8.491 -4.677 11.412 325 3HZ LYS 56 HZ2 LYS 56 8.321 -4.944 9.704 326 H LEU 57 H LEU 57 3.076 -1.040 6.382 327 HA LEU 57 HA LEU 57 1.049 -1.397 8.557 328 1HB LEU 57 HB2 LEU 57 2.788 0.588 8.383 329 2HB LEU 57 HB1 LEU 57 1.712 1.198 7.096 330 HG LEU 57 HG LEU 57 1.164 0.765 10.103 331 1HD1 LEU 57 HD12 LEU 57 2.335 2.907 9.285 332 2HD1 LEU 57 HD11 LEU 57 0.858 3.264 8.338 333 3HD1 LEU 57 HD13 LEU 57 0.782 3.204 10.115 334 1HD2 LEU 57 HD22 LEU 57 -0.934 1.397 7.936 335 2HD2 LEU 57 HD21 LEU 57 -0.931 0.048 9.130 336 3HD2 LEU 57 HD23 LEU 57 -1.174 1.710 9.682 337 H GLY 58 H GLY 58 1.441 -0.536 4.974 338 1HA GLY 58 HA1 GLY 58 -1.485 -0.134 4.751 339 2HA GLY 58 HA2 GLY 58 -0.269 0.094 3.483 340 H ALA 59 H ALA 59 1.038 -1.975 2.829 341 HA ALA 59 HA ALA 59 -0.950 -4.157 2.496 342 1HB ALA 59 HB3 ALA 59 0.187 -3.009 0.491 343 2HB ALA 59 HB2 ALA 59 1.723 -3.751 1.042 344 3HB ALA 59 HB1 ALA 59 0.351 -4.782 0.517 345 H ALA 60 H ALA 60 1.022 -6.319 2.158 346 HA ALA 60 HA ALA 60 2.448 -6.375 4.750 347 1HB ALA 60 HB3 ALA 60 -0.201 -7.464 4.542 348 2HB ALA 60 HB2 ALA 60 0.806 -8.877 4.420 349 3HB ALA 60 HB1 ALA 60 0.999 -7.808 5.811 350 H GLY 61 H GLY 61 3.985 -6.071 2.749 351 1HA GLY 61 HA1 GLY 61 5.893 -7.700 2.467 352 2HA GLY 61 HA2 GLY 61 4.729 -8.829 1.755 353 H VAL 62 H VAL 62 6.581 -5.809 1.116 354 HA VAL 62 HA VAL 62 5.477 -5.982 -1.657 355 HB VAL 62 HB VAL 62 5.554 -3.574 -1.891 356 1HG1 VAL 62 HG11 VAL 62 4.739 -4.121 0.998 357 2HG1 VAL 62 HG13 VAL 62 4.406 -2.590 0.111 358 3HG1 VAL 62 HG12 VAL 62 3.676 -4.137 -0.367 359 1HG2 VAL 62 HG22 VAL 62 7.529 -3.446 0.409 360 2HG2 VAL 62 HG21 VAL 62 7.812 -3.170 -1.323 361 3HG2 VAL 62 HG23 VAL 62 6.798 -2.032 -0.430 362 H VAL 63 H VAL 63 7.012 -5.010 -3.293 363 HA VAL 63 HA VAL 63 9.794 -5.757 -2.573 364 HB VAL 63 HB VAL 63 9.845 -7.562 -3.949 365 1HG1 VAL 63 HG12 VAL 63 7.551 -8.015 -3.085 366 2HG1 VAL 63 HG11 VAL 63 6.842 -7.130 -4.470 367 3HG1 VAL 63 HG13 VAL 63 7.764 -8.630 -4.745 368 1HG2 VAL 63 HG21 VAL 63 10.265 -6.060 -5.873 369 2HG2 VAL 63 HG23 VAL 63 9.304 -7.478 -6.369 370 3HG2 VAL 63 HG22 VAL 63 8.512 -5.900 -6.165 371 H VAL 64 H VAL 64 11.367 -4.430 -3.747 372 HA VAL 64 HA VAL 64 10.045 -2.124 -5.151 373 HB VAL 64 HB VAL 64 12.572 -2.046 -3.448 374 1HG1 VAL 64 HG12 VAL 64 12.376 -0.287 -5.234 375 2HG1 VAL 64 HG11 VAL 64 10.772 0.178 -4.615 376 3HG1 VAL 64 HG13 VAL 64 12.215 0.448 -3.611 377 1HG2 VAL 64 HG21 VAL 64 10.617 -2.566 -1.962 378 2HG2 VAL 64 HG23 VAL 64 11.238 -0.918 -1.680 379 3HG2 VAL 64 HG22 VAL 64 9.739 -1.152 -2.604 380 H ALA 65 H ALA 65 10.828 -1.900 -7.309 381 HA ALA 65 HA ALA 65 13.437 -3.262 -7.975 382 1HB ALA 65 HB2 ALA 65 10.702 -3.601 -9.361 383 2HB ALA 65 HB1 ALA 65 12.259 -4.242 -9.966 384 3HB ALA 65 HB3 ALA 65 11.569 -4.854 -8.433 385 H GLY 66 H GLY 66 14.512 -1.153 -8.342 386 1HA GLY 66 HA1 GLY 66 13.607 1.173 -9.169 387 2HA GLY 66 HA2 GLY 66 15.069 0.515 -9.934 388 H SER 67 H SER 67 11.960 1.757 -10.712 389 HA SER 67 HA SER 67 11.256 1.851 -13.020 390 1HB SER 67 HB2 SER 67 11.872 -1.141 -13.261 391 2HB SER 67 HB1 SER 67 10.988 -0.145 -14.426 392 HG SER 67 HG SER 67 13.720 0.353 -13.745 393 H GLY 68 H GLY 68 10.497 -0.086 -10.119 394 1HA GLY 68 HA1 GLY 68 7.773 0.532 -10.396 395 2HA GLY 68 HA2 GLY 68 8.019 -1.139 -11.012 396 H VAL 69 H VAL 69 6.387 -1.080 -8.847 397 HA VAL 69 HA VAL 69 8.058 -2.093 -6.644 398 HB VAL 69 HB VAL 69 6.020 0.125 -6.120 399 1HG1 VAL 69 HG12 VAL 69 6.399 -1.631 -4.292 400 2HG1 VAL 69 HG11 VAL 69 8.115 -1.156 -4.253 401 3HG1 VAL 69 HG13 VAL 69 6.866 0.003 -3.785 402 1HG2 VAL 69 HG22 VAL 69 9.066 0.324 -6.282 403 2HG2 VAL 69 HG21 VAL 69 7.845 1.157 -7.289 404 3HG2 VAL 69 HG23 VAL 69 8.031 1.579 -5.571 405 H GLN 70 H GLN 70 6.986 -4.118 -6.411 406 HA GLN 70 HA GLN 70 4.048 -4.150 -6.844 407 1HB GLN 70 HB2 GLN 70 5.190 -5.774 -8.076 408 2HB GLN 70 HB1 GLN 70 6.156 -6.337 -6.707 409 1HG GLN 70 HG2 GLN 70 4.453 -7.638 -5.798 410 2HG GLN 70 HG1 GLN 70 3.145 -6.591 -6.370 411 1HE2 GLN 70 HE22 GLN 70 2.596 -8.331 -9.403 412 2HE2 GLN 70 HE21 GLN 70 2.076 -7.052 -8.384 413 H ALA 71 H ALA 71 2.526 -4.798 -5.120 414 HA ALA 71 HA ALA 71 3.747 -4.954 -2.491 415 1HB ALA 71 HB2 ALA 71 2.012 -2.625 -3.415 416 2HB ALA 71 HB1 ALA 71 1.735 -3.284 -1.777 417 3HB ALA 71 HB3 ALA 71 3.330 -2.667 -2.301 418 H ILE 72 H ILE 72 2.501 -6.180 -0.897 419 HA ILE 72 HA ILE 72 0.304 -7.677 -2.145 420 HB ILE 72 HB ILE 72 3.096 -8.556 -2.136 421 1HG1 ILE 72 HG12 ILE 72 1.712 -10.821 -3.081 422 2HG1 ILE 72 HG11 ILE 72 0.560 -9.546 -3.422 423 1HG2 ILE 72 HG22 ILE 72 2.619 -9.511 0.159 424 2HG2 ILE 72 HG21 ILE 72 1.348 -10.519 -0.613 425 3HG2 ILE 72 HG23 ILE 72 3.056 -10.721 -1.066 426 1HD1 ILE 72 HD11 ILE 72 3.544 -9.628 -4.258 427 2HD1 ILE 72 HD13 ILE 72 2.174 -9.983 -5.327 428 3HD1 ILE 72 HD12 ILE 72 2.397 -8.322 -4.689 429 H PHE 73 H PHE 73 -1.024 -8.902 -0.464 430 HA PHE 73 HA PHE 73 -0.050 -8.395 2.277 431 1HB PHE 73 HB2 PHE 73 -2.142 -7.298 3.018 432 2HB PHE 73 HB1 PHE 73 -1.257 -6.333 1.827 433 HD1 PHE 73 HD2 PHE 73 -1.907 -6.502 -0.684 434 HD2 PHE 73 HD1 PHE 73 -4.513 -7.537 2.592 435 HE1 PHE 73 HE2 PHE 73 -3.885 -6.228 -2.146 436 HE2 PHE 73 HE1 PHE 73 -6.479 -7.176 1.136 437 HZ PHE 73 HZ PHE 73 -6.169 -6.488 -1.233 438 H GLY 74 H GLY 74 0.187 -10.767 1.314 439 1HA GLY 74 HA1 GLY 74 -2.136 -12.340 2.220 440 2HA GLY 74 HA2 GLY 74 -0.564 -12.971 1.678 441 H THR 75 H THR 75 1.141 -11.285 3.438 442 HA THR 75 HA THR 75 1.000 -13.147 5.660 443 HB THR 75 HB THR 75 2.972 -12.113 6.596 444 HG1 THR 75 HG1 THR 75 2.918 -10.114 4.580 445 1HG2 THR 75 HG22 THR 75 3.225 -12.484 3.544 446 2HG2 THR 75 HG21 THR 75 4.580 -12.463 4.704 447 3HG2 THR 75 HG23 THR 75 3.352 -13.764 4.787 448 H LYS 76 H LYS 76 -1.054 -12.720 6.730 449 HA LYS 76 HA LYS 76 -2.156 -11.806 8.496 450 1HB LYS 76 HB2 LYS 76 0.322 -10.736 9.027 451 2HB LYS 76 HB1 LYS 76 -0.594 -9.256 8.714 452 1HG LYS 76 HG2 LYS 76 -1.094 -9.409 10.972 453 2HG LYS 76 HG1 LYS 76 -2.366 -10.509 10.416 454 1HD LYS 76 HD2 LYS 76 -1.387 -11.856 12.074 455 2HD LYS 76 HD1 LYS 76 -0.285 -12.314 10.747 456 1HE LYS 76 HE2 LYS 76 1.303 -10.459 11.541 457 2HE LYS 76 HE1 LYS 76 0.153 -10.103 12.864 458 1HZ LYS 76 HZ2 LYS 76 0.473 -12.411 13.717 459 2HZ LYS 76 HZ1 LYS 76 1.664 -12.701 12.472 460 3HZ LYS 76 HZ3 LYS 76 1.952 -11.503 13.695 461 H SER 77 H SER 77 -2.759 -11.358 5.600 462 HA SER 77 HA SER 77 -3.486 -8.918 4.856 463 1HB SER 77 HB2 SER 77 -5.945 -10.652 4.553 464 2HB SER 77 HB1 SER 77 -4.957 -9.847 3.346 465 HG SER 77 HG SER 77 -4.455 -12.411 4.501 466 H ASP 78 H ASP 78 -5.675 -10.860 7.081 467 HA ASP 78 HA ASP 78 -7.649 -8.891 7.271 468 1HB ASP 78 HB2 ASP 78 -6.708 -10.920 9.377 469 2HB ASP 78 HB1 ASP 78 -8.127 -9.866 9.607 470 H ASN 79 H ASN 79 -4.604 -9.166 9.282 471 HA ASN 79 HA ASN 79 -5.300 -7.052 11.043 472 1HB ASN 79 HB2 ASN 79 -3.326 -8.498 11.480 473 2HB ASN 79 HB1 ASN 79 -2.556 -7.882 9.979 474 1HD2 ASN 79 HD22 ASN 79 -0.817 -5.581 12.075 475 2HD2 ASN 79 HD21 ASN 79 -0.659 -6.900 10.985 476 H LEU 80 H LEU 80 -3.566 -6.967 7.830 477 HA LEU 80 HA LEU 80 -3.042 -4.111 8.087 478 1HB LEU 80 HB2 LEU 80 -2.993 -6.044 5.689 479 2HB LEU 80 HB1 LEU 80 -2.766 -4.293 5.503 480 HG LEU 80 HG LEU 80 -0.663 -5.553 5.573 481 1HD1 LEU 80 HD12 LEU 80 -0.645 -3.215 6.131 482 2HD1 LEU 80 HD11 LEU 80 -0.825 -3.543 7.884 483 3HD1 LEU 80 HD13 LEU 80 0.631 -4.067 7.013 484 1HD2 LEU 80 HD21 LEU 80 -1.195 -7.352 7.241 485 2HD2 LEU 80 HD23 LEU 80 0.271 -6.450 7.710 486 3HD2 LEU 80 HD22 LEU 80 -1.264 -6.117 8.544 487 H LYS 81 H LYS 81 -5.504 -6.111 6.354 488 HA LYS 81 HA LYS 81 -6.921 -3.927 5.263 489 1HB LYS 81 HB2 LYS 81 -7.205 -6.370 4.673 490 2HB LYS 81 HB1 LYS 81 -8.012 -6.609 6.256 491 1HG LYS 81 HG2 LYS 81 -9.878 -5.142 5.575 492 2HG LYS 81 HG1 LYS 81 -9.012 -4.652 4.090 493 1HD LYS 81 HD2 LYS 81 -10.817 -6.374 3.673 494 2HD LYS 81 HD1 LYS 81 -9.200 -6.912 3.138 495 1HE LYS 81 HE2 LYS 81 -8.951 -8.390 5.059 496 2HE LYS 81 HE1 LYS 81 -10.388 -7.695 5.867 497 1HZ LYS 81 HZ1 LYS 81 -10.408 -9.269 3.253 498 2HZ LYS 81 HZ3 LYS 81 -10.845 -9.896 4.809 499 3HZ LYS 81 HZ2 LYS 81 -11.807 -8.651 4.080 500 H THR 82 H THR 82 -6.934 -5.331 8.615 501 HA THR 82 HA THR 82 -9.168 -3.775 9.541 502 HB THR 82 HB THR 82 -6.854 -5.160 10.946 503 HG1 THR 82 HG1 THR 82 -9.667 -5.345 11.310 504 1HG2 THR 82 HG22 THR 82 -8.669 -3.129 12.349 505 2HG2 THR 82 HG21 THR 82 -7.655 -4.366 13.154 506 3HG2 THR 82 HG23 THR 82 -6.882 -3.071 12.203 507 H GLU 83 H GLU 83 -5.572 -3.074 9.302 508 HA GLU 83 HA GLU 83 -5.850 -0.496 10.525 509 1HB GLU 83 HB2 GLU 83 -3.775 -1.351 8.408 510 2HB GLU 83 HB1 GLU 83 -3.715 0.128 9.393 511 1HG GLU 83 HG2 GLU 83 -3.555 -2.754 10.488 512 2HG GLU 83 HG1 GLU 83 -2.225 -1.599 10.363 513 H MET 84 H MET 84 -6.290 -1.644 7.078 514 HA MET 84 HA MET 84 -6.627 1.039 6.092 515 1HB MET 84 HB2 MET 84 -7.802 -1.547 4.916 516 2HB MET 84 HB1 MET 84 -7.745 0.056 4.130 517 1HG MET 84 HG2 MET 84 -5.200 0.000 4.233 518 2HG MET 84 HG1 MET 84 -5.288 -1.658 4.907 519 1HE MET 84 HE2 MET 84 -3.573 -1.301 2.475 520 2HE MET 84 HE1 MET 84 -4.049 -2.973 2.957 521 3HE MET 84 HE3 MET 84 -4.175 -2.460 1.246 522 H ASP 85 H ASP 85 -8.936 -1.497 7.402 523 HA ASP 85 HA ASP 85 -11.328 -0.195 6.883 524 1HB ASP 85 HB2 ASP 85 -11.340 -2.394 7.935 525 2HB ASP 85 HB1 ASP 85 -10.622 -1.741 9.427 526 H GLU 86 H GLU 86 -9.160 0.194 9.802 527 HA GLU 86 HA GLU 86 -10.537 2.269 11.038 528 1HB GLU 86 HB2 GLU 86 -7.608 1.473 10.943 529 2HB GLU 86 HB1 GLU 86 -7.917 3.128 11.473 530 1HG GLU 86 HG2 GLU 86 -9.543 0.881 12.775 531 2HG GLU 86 HG1 GLU 86 -7.857 1.145 13.268 532 H TYR 87 H TYR 87 -8.042 2.647 8.382 533 HA TYR 87 HA TYR 87 -8.102 5.412 8.276 534 1HB TYR 87 HB1 TYR 87 -6.689 4.905 6.556 535 2HB TYR 87 HB2 TYR 87 -7.419 3.341 6.320 536 HD1 TYR 87 HD2 TYR 87 -8.870 6.811 5.655 537 HD2 TYR 87 HD1 TYR 87 -7.718 2.984 4.034 538 HE1 TYR 87 HE2 TYR 87 -9.784 7.464 3.491 539 HE2 TYR 87 HE1 TYR 87 -8.573 3.682 1.836 540 HH TYR 87 HH TYR 87 -10.417 6.673 1.296 541 H ILE 88 H ILE 88 -10.401 3.331 6.319 542 HA ILE 88 HA ILE 88 -11.747 5.636 5.383 543 HB ILE 88 HB ILE 88 -13.205 2.964 5.717 544 1HG1 ILE 88 HG12 ILE 88 -12.310 3.122 3.001 545 2HG1 ILE 88 HG11 ILE 88 -10.904 3.648 3.928 546 1HG2 ILE 88 HG22 ILE 88 -14.613 4.966 5.116 547 2HG2 ILE 88 HG21 ILE 88 -13.558 5.274 3.704 548 3HG2 ILE 88 HG23 ILE 88 -14.543 3.784 3.785 549 1HD1 ILE 88 HD12 ILE 88 -11.228 1.475 5.343 550 2HD1 ILE 88 HD11 ILE 88 -12.444 0.978 4.158 551 3HD1 ILE 88 HD13 ILE 88 -10.741 1.223 3.654 552 H ARG 89 H ARG 89 -12.453 3.507 8.273 553 HA ARG 89 HA ARG 89 -14.810 4.961 8.966 554 1HB ARG 89 HB2 ARG 89 -12.931 3.511 10.925 555 2HB ARG 89 HB1 ARG 89 -14.620 3.989 11.188 556 1HG ARG 89 HG2 ARG 89 -14.781 2.435 8.796 557 2HG ARG 89 HG1 ARG 89 -13.512 1.616 9.735 558 1HD ARG 89 HD2 ARG 89 -16.474 1.983 10.437 559 2HD ARG 89 HD1 ARG 89 -15.546 0.526 10.271 560 HE ARG 89 HE ARG 89 -14.406 0.761 12.301 561 1HH1 ARG 89 HH11 ARG 89 -16.850 3.450 11.949 562 2HH1 ARG 89 HH12 ARG 89 -16.806 3.759 13.669 563 1HH2 ARG 89 HH21 ARG 89 -14.450 1.296 14.454 564 2HH2 ARG 89 HH22 ARG 89 -15.486 2.591 15.051 565 H ASN 90 H ASN 90 -11.343 5.649 9.533 566 HA ASN 90 HA ASN 90 -11.889 7.777 11.463 567 1HB ASN 90 HB2 ASN 90 -9.761 6.493 11.517 568 2HB ASN 90 HB1 ASN 90 -9.337 7.047 9.887 569 1HD2 ASN 90 HD22 ASN 90 -8.122 10.226 10.962 570 2HD2 ASN 90 HD21 ASN 90 -8.527 9.268 9.586 571 H PHE 91 H PHE 91 -11.828 7.480 7.892 572 HA PHE 91 HA PHE 91 -12.032 10.477 7.736 573 1HB PHE 91 HB2 PHE 91 -9.863 8.864 6.916 574 2HB PHE 91 HB1 PHE 91 -10.824 8.956 5.431 575 HD1 PHE 91 HD1 PHE 91 -9.755 11.175 8.324 576 HD2 PHE 91 HD2 PHE 91 -10.029 10.796 4.038 577 HE1 PHE 91 HE1 PHE 91 -8.623 13.355 8.060 578 HE2 PHE 91 HE2 PHE 91 -8.806 12.934 3.781 579 HZ PHE 91 HZ PHE 91 -8.105 14.222 5.786 580 H GLY 92 H GLY 92 -14.270 8.623 8.107 581 1HA GLY 92 HA1 GLY 92 -16.065 9.550 6.259 582 2HA GLY 92 HA2 GLY 92 -15.353 8.139 5.416 No H/Q in entry = 582 Start of MODEL 6 1 H MET 15 H MET 15 -2.590 9.107 12.072 2 HA MET 15 HA MET 15 -0.924 9.805 9.723 3 1HB MET 15 HB2 MET 15 -0.093 8.103 12.156 4 2HB MET 15 HB1 MET 15 0.969 8.686 10.844 5 1HG MET 15 HG2 MET 15 0.434 11.087 11.526 6 2HG MET 15 HG1 MET 15 -0.565 10.452 12.866 7 1HE MET 15 HE1 MET 15 2.987 10.909 11.379 8 2HE MET 15 HE3 MET 15 4.061 10.291 12.674 9 3HE MET 15 HE2 MET 15 3.188 9.139 11.623 10 H ALA 16 H ALA 16 -2.260 6.852 11.460 11 HA ALA 16 HA ALA 16 -1.301 5.054 9.562 12 1HB ALA 16 HB3 ALA 16 -2.392 4.453 11.789 13 2HB ALA 16 HB2 ALA 16 -3.981 4.664 10.996 14 3HB ALA 16 HB1 ALA 16 -2.821 3.434 10.416 15 HA PRO 17 HA PRO 17 -4.929 5.815 6.627 16 1HB PRO 17 HB2 PRO 17 -6.317 8.250 6.685 17 2HB PRO 17 HB1 PRO 17 -6.831 6.798 7.578 18 1HG PRO 17 HG2 PRO 17 -5.363 9.188 8.676 19 2HG PRO 17 HG1 PRO 17 -6.690 8.245 9.425 20 1HD PRO 17 HD2 PRO 17 -4.010 7.931 10.083 21 2HD PRO 17 HD1 PRO 17 -5.185 6.581 10.245 22 H ALA 18 H ALA 18 -2.932 8.695 7.724 23 HA ALA 18 HA ALA 18 -2.580 9.726 5.087 24 1HB ALA 18 HB3 ALA 18 -1.701 10.911 7.155 25 2HB ALA 18 HB2 ALA 18 -0.427 9.656 7.292 26 3HB ALA 18 HB1 ALA 18 -0.471 10.725 5.866 27 H LEU 19 H LEU 19 -1.138 6.890 6.850 28 HA LEU 19 HA LEU 19 1.012 6.547 5.068 29 1HB LEU 19 HB2 LEU 19 1.046 5.468 7.169 30 2HB LEU 19 HB1 LEU 19 -0.436 4.551 6.866 31 HG LEU 19 HG LEU 19 1.777 3.289 6.720 32 1HD1 LEU 19 HD12 LEU 19 -0.407 2.441 5.827 33 2HD1 LEU 19 HD11 LEU 19 0.089 2.969 4.208 34 3HD1 LEU 19 HD13 LEU 19 1.014 1.731 5.077 35 1HD2 LEU 19 HD21 LEU 19 3.086 5.014 5.585 36 2HD2 LEU 19 HD23 LEU 19 3.219 3.450 4.773 37 3HD2 LEU 19 HD22 LEU 19 2.220 4.729 4.051 38 H VAL 20 H VAL 20 -2.159 4.534 4.921 39 HA VAL 20 HA VAL 20 -1.589 3.550 2.408 40 HB VAL 20 HB VAL 20 -3.649 2.877 3.602 41 1HG1 VAL 20 HG12 VAL 20 -4.485 5.104 4.367 42 2HG1 VAL 20 HG11 VAL 20 -4.834 5.594 2.684 43 3HG1 VAL 20 HG13 VAL 20 -5.755 4.274 3.438 44 1HG2 VAL 20 HG21 VAL 20 -3.440 2.376 1.148 45 2HG2 VAL 20 HG23 VAL 20 -5.136 2.577 1.662 46 3HG2 VAL 20 HG22 VAL 20 -4.318 3.891 0.777 47 H ALA 21 H ALA 21 -2.703 6.919 3.192 48 HA ALA 21 HA ALA 21 -3.300 7.499 0.529 49 1HB ALA 21 HB3 ALA 21 -4.022 8.991 2.397 50 2HB ALA 21 HB2 ALA 21 -2.332 9.549 2.597 51 3HB ALA 21 HB1 ALA 21 -3.210 9.899 1.086 52 H ALA 22 H ALA 22 -0.181 7.611 2.346 53 HA ALA 22 HA ALA 22 1.324 9.199 0.616 54 1HB ALA 22 HB3 ALA 22 2.142 8.371 2.847 55 2HB ALA 22 HB2 ALA 22 2.225 6.719 2.161 56 3HB ALA 22 HB1 ALA 22 3.332 7.999 1.562 57 H PHE 23 H PHE 23 0.338 5.806 -0.049 58 HA PHE 23 HA PHE 23 1.721 6.180 -2.649 59 1HB PHE 23 HB2 PHE 23 2.982 4.674 -0.965 60 2HB PHE 23 HB1 PHE 23 1.741 3.441 -1.429 61 HD1 PHE 23 HD2 PHE 23 3.260 5.661 -4.138 62 HD2 PHE 23 HD1 PHE 23 3.634 2.000 -1.878 63 HE1 PHE 23 HE2 PHE 23 5.174 4.966 -5.463 64 HE2 PHE 23 HE1 PHE 23 5.141 1.120 -3.590 65 HZ PHE 23 HZ PHE 23 5.791 2.544 -5.533 66 H GLY 24 H GLY 24 -0.946 4.233 -0.975 67 1HA GLY 24 HA1 GLY 24 -2.211 3.748 -3.525 68 2HA GLY 24 HA2 GLY 24 -2.959 3.598 -1.916 69 H GLY 25 H GLY 25 -2.173 6.623 -1.365 70 1HA GLY 25 HA1 GLY 25 -4.600 7.705 -2.757 71 2HA GLY 25 HA2 GLY 25 -3.775 8.482 -1.408 72 H LYS 26 H LYS 26 -1.446 7.342 -3.728 73 HA LYS 26 HA LYS 26 -0.963 10.153 -4.561 74 1HB LYS 26 HB2 LYS 26 0.359 7.474 -5.164 75 2HB LYS 26 HB1 LYS 26 0.920 9.043 -5.819 76 1HG LYS 26 HG2 LYS 26 0.766 8.380 -2.809 77 2HG LYS 26 HG1 LYS 26 2.187 8.137 -3.875 78 1HD LYS 26 HD2 LYS 26 1.798 10.717 -4.493 79 2HD LYS 26 HD1 LYS 26 0.952 10.777 -2.935 80 1HE LYS 26 HE2 LYS 26 2.936 10.264 -1.722 81 2HE LYS 26 HE1 LYS 26 3.792 9.530 -3.092 82 1HZ LYS 26 HZ2 LYS 26 3.895 11.739 -4.226 83 2HZ LYS 26 HZ1 LYS 26 3.237 12.471 -2.787 84 3HZ LYS 26 HZ3 LYS 26 4.787 11.645 -2.780 85 H GLU 27 H GLU 27 -3.221 10.273 -5.591 86 HA GLU 27 HA GLU 27 -4.022 8.330 -7.476 87 1HB GLU 27 HB2 GLU 27 -5.938 9.547 -7.686 88 2HB GLU 27 HB1 GLU 27 -5.263 10.684 -6.508 89 1HG GLU 27 HG2 GLU 27 -4.248 11.993 -8.464 90 2HG GLU 27 HG1 GLU 27 -5.111 10.885 -9.575 91 H ASN 28 H ASN 28 -1.841 11.157 -7.877 92 HA ASN 28 HA ASN 28 -1.698 11.425 -10.596 93 1HB ASN 28 HB2 ASN 28 -0.265 12.712 -9.042 94 2HB ASN 28 HB1 ASN 28 0.630 11.244 -8.575 95 1HD2 ASN 28 HD22 ASN 28 2.910 11.649 -11.317 96 2HD2 ASN 28 HD21 ASN 28 2.620 10.914 -9.784 97 H ILE 29 H ILE 29 -0.509 8.644 -8.741 98 HA ILE 29 HA ILE 29 1.093 7.147 -9.967 99 HB ILE 29 HB ILE 29 -1.752 6.711 -9.104 100 1HG1 ILE 29 HG12 ILE 29 -0.932 5.575 -7.303 101 2HG1 ILE 29 HG11 ILE 29 0.142 4.625 -8.285 102 1HG2 ILE 29 HG21 ILE 29 -0.635 4.478 -10.822 103 2HG2 ILE 29 HG23 ILE 29 -2.008 4.342 -9.693 104 3HG2 ILE 29 HG22 ILE 29 -2.091 5.458 -11.061 105 1HD1 ILE 29 HD11 ILE 29 0.901 7.424 -7.405 106 2HD1 ILE 29 HD13 ILE 29 1.369 5.906 -6.564 107 3HD1 ILE 29 HD12 ILE 29 1.997 6.318 -8.145 108 H THR 30 H THR 30 1.529 5.484 -11.460 109 HA THR 30 HA THR 30 0.520 6.204 -14.171 110 HB THR 30 HB THR 30 2.568 5.274 -15.011 111 HG1 THR 30 HG1 THR 30 4.033 4.199 -13.550 112 1HG2 THR 30 HG22 THR 30 3.177 6.985 -12.499 113 2HG2 THR 30 HG21 THR 30 4.308 6.691 -13.841 114 3HG2 THR 30 HG23 THR 30 2.799 7.604 -14.136 115 H ASN 31 H ASN 31 1.652 3.126 -12.431 116 HA ASN 31 HA ASN 31 -0.657 1.666 -13.671 117 1HB ASN 31 HB2 ASN 31 2.346 1.178 -14.027 118 2HB ASN 31 HB1 ASN 31 1.195 -0.172 -14.111 119 1HD2 ASN 31 HD22 ASN 31 1.480 2.137 -17.399 120 2HD2 ASN 31 HD21 ASN 31 2.568 2.387 -16.082 121 H LEU 32 H LEU 32 -1.707 1.005 -11.690 122 HA LEU 32 HA LEU 32 0.013 -0.636 -9.803 123 1HB LEU 32 HB2 LEU 32 -2.515 1.051 -9.436 124 2HB LEU 32 HB1 LEU 32 -2.213 -0.326 -8.361 125 HG LEU 32 HG LEU 32 -0.340 0.660 -7.358 126 1HD1 LEU 32 HD12 LEU 32 0.984 1.376 -9.423 127 2HD1 LEU 32 HD11 LEU 32 -0.163 2.677 -9.632 128 3HD1 LEU 32 HD13 LEU 32 0.946 2.614 -8.230 129 1HD2 LEU 32 HD21 LEU 32 -2.343 1.734 -6.562 130 2HD2 LEU 32 HD23 LEU 32 -0.991 2.892 -6.568 131 3HD2 LEU 32 HD22 LEU 32 -2.243 2.977 -7.826 132 H ASP 33 H ASP 33 -1.045 -2.566 -8.936 133 HA ASP 33 HA ASP 33 -3.044 -3.798 -10.810 134 1HB ASP 33 HB2 ASP 33 -0.219 -4.610 -10.298 135 2HB ASP 33 HB1 ASP 33 -1.404 -5.927 -10.186 136 H ALA 34 H ALA 34 -4.316 -2.813 -8.891 137 HA ALA 34 HA ALA 34 -3.955 -3.909 -6.298 138 1HB ALA 34 HB3 ALA 34 -5.250 -1.878 -6.608 139 2HB ALA 34 HB2 ALA 34 -6.520 -2.792 -7.478 140 3HB ALA 34 HB1 ALA 34 -6.208 -3.119 -5.746 141 H CYS 35 H CYS 35 -4.980 -5.828 -5.232 142 HA CYS 35 HA CYS 35 -6.995 -7.273 -6.744 143 1HB CYS 35 HB2 CYS 35 -4.531 -7.856 -7.726 144 2HB CYS 35 HB1 CYS 35 -4.515 -8.952 -6.309 145 HG CYS 35 HG CYS 35 -5.393 -10.153 -8.377 146 H ILE 36 H ILE 36 -7.553 -9.473 -5.608 147 HA ILE 36 HA ILE 36 -8.570 -9.073 -3.289 148 HB ILE 36 HB ILE 36 -8.515 -11.404 -2.582 149 1HG1 ILE 36 HG12 ILE 36 -6.412 -12.443 -3.034 150 2HG1 ILE 36 HG11 ILE 36 -7.561 -13.205 -4.103 151 1HG2 ILE 36 HG22 ILE 36 -10.121 -10.575 -4.338 152 2HG2 ILE 36 HG21 ILE 36 -9.062 -11.244 -5.610 153 3HG2 ILE 36 HG23 ILE 36 -9.802 -12.322 -4.410 154 1HD1 ILE 36 HD11 ILE 36 -5.605 -11.014 -5.086 155 2HD1 ILE 36 HD13 ILE 36 -5.404 -12.769 -5.233 156 3HD1 ILE 36 HD12 ILE 36 -6.752 -11.951 -6.073 157 H THR 37 H THR 37 -5.219 -10.598 -2.907 158 HA THR 37 HA THR 37 -4.943 -8.864 -0.503 159 HB THR 37 HB THR 37 -3.925 -10.857 0.640 160 HG1 THR 37 HG1 THR 37 -3.359 -12.090 -1.286 161 1HG2 THR 37 HG23 THR 37 -6.364 -10.398 1.008 162 2HG2 THR 37 HG22 THR 37 -6.766 -11.486 -0.355 163 3HG2 THR 37 HG21 THR 37 -5.975 -12.142 1.106 164 H ARG 38 H ARG 38 -4.165 -8.462 -3.329 165 HA ARG 38 HA ARG 38 -1.255 -8.471 -2.988 166 1HB ARG 38 HB2 ARG 38 -1.586 -10.647 -3.905 167 2HB ARG 38 HB1 ARG 38 -2.812 -10.088 -5.029 168 1HG ARG 38 HG2 ARG 38 -0.086 -8.742 -5.332 169 2HG ARG 38 HG1 ARG 38 -0.057 -10.467 -5.619 170 1HD ARG 38 HD2 ARG 38 -2.335 -9.629 -7.200 171 2HD ARG 38 HD1 ARG 38 -1.139 -8.351 -7.369 172 HE ARG 38 HE ARG 38 -0.052 -9.767 -8.816 173 1HH1 ARG 38 HH11 ARG 38 -1.813 -11.817 -6.455 174 2HH1 ARG 38 HH12 ARG 38 -1.169 -13.295 -7.148 175 1HH2 ARG 38 HH21 ARG 38 0.689 -11.690 -9.673 176 2HH2 ARG 38 HH22 ARG 38 0.208 -13.231 -8.967 177 H LEU 39 H LEU 39 -0.984 -6.205 -3.183 178 HA LEU 39 HA LEU 39 -2.219 -5.039 -5.603 179 1HB LEU 39 HB2 LEU 39 -2.624 -2.890 -4.465 180 2HB LEU 39 HB1 LEU 39 -3.476 -4.207 -3.654 181 HG LEU 39 HG LEU 39 -1.273 -4.190 -2.052 182 1HD1 LEU 39 HD12 LEU 39 -0.114 -2.383 -3.424 183 2HD1 LEU 39 HD11 LEU 39 -1.431 -1.266 -2.974 184 3HD1 LEU 39 HD13 LEU 39 -0.356 -1.937 -1.712 185 1HD2 LEU 39 HD22 LEU 39 -3.535 -2.087 -1.809 186 2HD2 LEU 39 HD21 LEU 39 -3.626 -3.756 -1.215 187 3HD2 LEU 39 HD23 LEU 39 -2.467 -2.632 -0.488 188 H ARG 40 H ARG 40 -0.843 -3.565 -6.837 189 HA ARG 40 HA ARG 40 2.042 -3.767 -5.929 190 1HB ARG 40 HB2 ARG 40 1.156 -3.697 -8.792 191 2HB ARG 40 HB1 ARG 40 2.722 -4.240 -8.242 192 1HG ARG 40 HG2 ARG 40 0.055 -5.835 -8.003 193 2HG ARG 40 HG1 ARG 40 1.314 -5.990 -9.266 194 1HD ARG 40 HD2 ARG 40 2.864 -6.462 -7.266 195 2HD ARG 40 HD1 ARG 40 1.402 -7.079 -6.444 196 HE ARG 40 HE ARG 40 1.579 -8.238 -9.043 197 1HH1 ARG 40 HH11 ARG 40 3.575 -8.214 -6.058 198 2HH1 ARG 40 HH12 ARG 40 4.314 -9.762 -6.446 199 1HH2 ARG 40 HH21 ARG 40 2.588 -10.180 -9.483 200 2HH2 ARG 40 HH22 ARG 40 3.755 -10.870 -8.356 201 H VAL 41 H VAL 41 3.515 -2.052 -7.093 202 HA VAL 41 HA VAL 41 1.857 0.317 -7.646 203 HB VAL 41 HB VAL 41 3.975 0.579 -5.581 204 1HG1 VAL 41 HG12 VAL 41 2.849 2.669 -6.572 205 2HG1 VAL 41 HG11 VAL 41 1.253 2.031 -6.053 206 3HG1 VAL 41 HG13 VAL 41 2.420 2.480 -4.851 207 1HG2 VAL 41 HG21 VAL 41 2.598 -1.231 -4.599 208 2HG2 VAL 41 HG23 VAL 41 2.355 0.290 -3.728 209 3HG2 VAL 41 HG22 VAL 41 1.115 -0.265 -4.871 210 H SER 42 H SER 42 2.960 -0.520 -9.827 211 HA SER 42 HA SER 42 5.752 0.225 -10.050 212 1HB SER 42 HB2 SER 42 4.849 -1.517 -11.561 213 2HB SER 42 HB1 SER 42 3.646 -0.355 -12.200 214 HG SER 42 HG SER 42 5.546 -0.494 -13.605 215 H VAL 43 H VAL 43 6.108 2.434 -9.394 216 HA VAL 43 HA VAL 43 5.265 4.331 -11.516 217 HB VAL 43 HB VAL 43 4.220 5.821 -9.950 218 1HG1 VAL 43 HG12 VAL 43 2.891 3.788 -10.659 219 2HG1 VAL 43 HG11 VAL 43 3.295 2.990 -9.117 220 3HG1 VAL 43 HG13 VAL 43 2.283 4.420 -9.154 221 1HG2 VAL 43 HG21 VAL 43 5.794 5.527 -7.959 222 2HG2 VAL 43 HG23 VAL 43 4.087 5.371 -7.527 223 3HG2 VAL 43 HG22 VAL 43 5.108 3.924 -7.670 224 H ALA 44 H ALA 44 6.528 6.337 -11.646 225 HA ALA 44 HA ALA 44 9.243 5.994 -10.513 226 1HB ALA 44 HB3 ALA 44 8.961 6.850 -12.857 227 2HB ALA 44 HB2 ALA 44 8.092 8.279 -12.219 228 3HB ALA 44 HB1 ALA 44 9.811 8.015 -11.802 229 H ASP 45 H ASP 45 6.229 7.384 -9.357 230 HA ASP 45 HA ASP 45 7.412 9.592 -7.926 231 1HB ASP 45 HB2 ASP 45 4.944 9.264 -8.468 232 2HB ASP 45 HB1 ASP 45 4.891 7.997 -7.224 233 H VAL 46 H VAL 46 9.462 8.162 -7.382 234 HA VAL 46 HA VAL 46 8.948 6.689 -4.839 235 HB VAL 46 HB VAL 46 9.868 5.328 -6.749 236 1HG1 VAL 46 HG12 VAL 46 11.450 6.967 -7.761 237 2HG1 VAL 46 HG11 VAL 46 12.475 6.931 -6.301 238 3HG1 VAL 46 HG13 VAL 46 12.288 5.471 -7.296 239 1HG2 VAL 46 HG22 VAL 46 11.594 5.458 -4.188 240 2HG2 VAL 46 HG21 VAL 46 10.105 4.507 -4.437 241 3HG2 VAL 46 HG23 VAL 46 11.568 4.118 -5.358 242 H SER 47 H SER 47 8.977 9.631 -5.132 243 HA SER 47 HA SER 47 11.706 10.505 -4.657 244 1HB SER 47 HB2 SER 47 10.333 12.040 -5.813 245 2HB SER 47 HB1 SER 47 9.038 11.986 -4.597 246 HG SER 47 HG SER 47 10.451 13.842 -4.248 247 H LYS 48 H LYS 48 8.973 11.375 -2.392 248 HA LYS 48 HA LYS 48 10.781 10.493 -0.175 249 1HB LYS 48 HB2 LYS 48 9.416 11.861 1.303 250 2HB LYS 48 HB1 LYS 48 10.094 12.818 -0.035 251 1HG LYS 48 HG2 LYS 48 7.787 13.498 0.569 252 2HG LYS 48 HG1 LYS 48 7.873 12.985 -1.126 253 1HD LYS 48 HD2 LYS 48 6.760 10.876 -0.615 254 2HD LYS 48 HD1 LYS 48 6.942 11.129 1.158 255 1HE LYS 48 HE2 LYS 48 5.376 13.123 0.976 256 2HE LYS 48 HE1 LYS 48 5.138 12.736 -0.738 257 1HZ LYS 48 HZ2 LYS 48 4.441 10.377 0.091 258 2HZ LYS 48 HZ1 LYS 48 4.429 11.047 1.671 259 3HZ LYS 48 HZ3 LYS 48 3.343 11.680 0.455 260 H VAL 49 H VAL 49 8.493 9.016 -2.086 261 HA VAL 49 HA VAL 49 6.355 8.364 -0.654 262 HB VAL 49 HB VAL 49 6.992 7.449 -2.931 263 1HG1 VAL 49 HG12 VAL 49 9.284 6.704 -2.439 264 2HG1 VAL 49 HG11 VAL 49 8.710 5.417 -1.368 265 3HG1 VAL 49 HG13 VAL 49 8.301 5.355 -3.081 266 1HG2 VAL 49 HG22 VAL 49 5.822 5.466 -0.876 267 2HG2 VAL 49 HG21 VAL 49 4.980 6.604 -1.956 268 3HG2 VAL 49 HG23 VAL 49 5.862 5.216 -2.641 269 H ASP 50 H ASP 50 5.752 6.921 1.168 270 HA ASP 50 HA ASP 50 8.134 6.125 2.821 271 1HB ASP 50 HB2 ASP 50 6.526 5.998 4.680 272 2HB ASP 50 HB1 ASP 50 6.487 7.592 3.884 273 H GLN 51 H GLN 51 8.082 4.485 0.637 274 HA GLN 51 HA GLN 51 6.187 2.352 0.840 275 1HB GLN 51 HB2 GLN 51 9.053 2.367 -0.313 276 2HB GLN 51 HB1 GLN 51 7.951 0.943 -0.417 277 1HG GLN 51 HG2 GLN 51 6.311 2.144 -1.683 278 2HG GLN 51 HG1 GLN 51 7.160 3.673 -1.445 279 1HE2 GLN 51 HE22 GLN 51 9.572 1.655 -3.944 280 2HE2 GLN 51 HE21 GLN 51 9.443 1.155 -2.328 281 H ALA 52 H ALA 52 9.560 2.839 2.126 282 HA ALA 52 HA ALA 52 9.971 0.379 3.262 283 1HB ALA 52 HB3 ALA 52 11.617 2.259 3.417 284 2HB ALA 52 HB2 ALA 52 10.551 3.100 4.588 285 3HB ALA 52 HB1 ALA 52 11.324 1.540 5.030 286 H GLY 53 H GLY 53 7.663 2.909 4.472 287 1HA GLY 53 HA1 GLY 53 6.868 1.111 6.706 288 2HA GLY 53 HA2 GLY 53 6.200 2.713 6.332 289 H LEU 54 H LEU 54 5.466 2.402 3.548 290 HA LEU 54 HA LEU 54 2.955 1.282 4.053 291 1HB LEU 54 HB2 LEU 54 3.581 3.005 2.257 292 2HB LEU 54 HB1 LEU 54 3.970 1.638 1.188 293 HG LEU 54 HG LEU 54 1.253 1.515 2.522 294 1HD1 LEU 54 HD11 LEU 54 1.922 3.889 0.813 295 2HD1 LEU 54 HD13 LEU 54 0.275 3.191 0.819 296 3HD1 LEU 54 HD12 LEU 54 1.046 3.792 2.295 297 1HD2 LEU 54 HD21 LEU 54 1.878 -0.159 0.752 298 2HD2 LEU 54 HD23 LEU 54 0.448 0.796 0.302 299 3HD2 LEU 54 HD22 LEU 54 2.027 1.174 -0.415 300 H LYS 55 H LYS 55 5.900 -0.247 2.999 301 HA LYS 55 HA LYS 55 4.592 -2.395 1.742 302 1HB LYS 55 HB2 LYS 55 6.917 -3.492 1.713 303 2HB LYS 55 HB1 LYS 55 6.842 -1.783 1.174 304 1HG LYS 55 HG2 LYS 55 8.821 -2.043 2.240 305 2HG LYS 55 HG1 LYS 55 7.881 -1.235 3.491 306 1HD LYS 55 HD2 LYS 55 8.207 -2.951 4.969 307 2HD LYS 55 HD1 LYS 55 7.745 -4.188 3.780 308 1HE LYS 55 HE2 LYS 55 10.077 -4.485 4.590 309 2HE LYS 55 HE1 LYS 55 10.075 -4.154 2.839 310 1HZ LYS 55 HZ1 LYS 55 10.530 -1.984 4.903 311 2HZ LYS 55 HZ3 LYS 55 11.821 -2.951 4.266 312 3HZ LYS 55 HZ2 LYS 55 10.912 -1.927 3.214 313 H LYS 56 H LYS 56 5.894 -2.045 4.970 314 HA LYS 56 HA LYS 56 4.887 -4.764 5.693 315 1HB LYS 56 HB2 LYS 56 5.939 -4.432 7.887 316 2HB LYS 56 HB1 LYS 56 7.075 -4.317 6.536 317 1HG LYS 56 HG2 LYS 56 6.956 -1.713 6.796 318 2HG LYS 56 HG1 LYS 56 5.980 -1.983 8.235 319 1HD LYS 56 HD2 LYS 56 8.853 -3.025 7.665 320 2HD LYS 56 HD1 LYS 56 8.477 -1.533 8.557 321 1HE LYS 56 HE2 LYS 56 7.779 -4.392 9.475 322 2HE LYS 56 HE1 LYS 56 9.069 -3.340 10.101 323 1HZ LYS 56 HZ2 LYS 56 7.262 -1.669 10.735 324 2HZ LYS 56 HZ1 LYS 56 6.087 -2.919 10.398 325 3HZ LYS 56 HZ3 LYS 56 7.268 -3.151 11.632 326 H LEU 57 H LEU 57 4.170 -1.279 6.407 327 HA LEU 57 HA LEU 57 2.160 -2.116 8.356 328 1HB LEU 57 HB2 LEU 57 3.759 -0.087 8.496 329 2HB LEU 57 HB1 LEU 57 2.702 0.699 7.316 330 HG LEU 57 HG LEU 57 2.531 0.633 10.239 331 1HD1 LEU 57 HD12 LEU 57 2.092 2.625 8.883 332 2HD1 LEU 57 HD11 LEU 57 0.608 1.851 8.196 333 3HD1 LEU 57 HD13 LEU 57 0.689 2.295 9.921 334 1HD2 LEU 57 HD21 LEU 57 1.069 -1.396 10.193 335 2HD2 LEU 57 HD23 LEU 57 0.219 0.054 10.750 336 3HD2 LEU 57 HD22 LEU 57 -0.042 -0.506 9.095 337 H GLY 58 H GLY 58 2.256 -0.741 4.948 338 1HA GLY 58 HA1 GLY 58 -0.697 -0.477 4.941 339 2HA GLY 58 HA2 GLY 58 0.380 -0.229 3.561 340 H ALA 59 H ALA 59 1.861 -2.443 3.188 341 HA ALA 59 HA ALA 59 -0.241 -4.457 2.628 342 1HB ALA 59 HB3 ALA 59 1.088 -3.321 0.712 343 2HB ALA 59 HB2 ALA 59 2.538 -4.177 1.311 344 3HB ALA 59 HB1 ALA 59 1.132 -5.098 0.695 345 H ALA 60 H ALA 60 1.625 -6.681 2.362 346 HA ALA 60 HA ALA 60 2.871 -6.817 5.080 347 1HB ALA 60 HB3 ALA 60 0.561 -8.017 4.952 348 2HB ALA 60 HB2 ALA 60 1.316 -9.144 3.783 349 3HB ALA 60 HB1 ALA 60 1.950 -9.032 5.448 350 H GLY 61 H GLY 61 4.197 -6.132 2.568 351 1HA GLY 61 HA1 GLY 61 6.488 -7.377 2.511 352 2HA GLY 61 HA2 GLY 61 5.534 -8.714 1.833 353 H VAL 62 H VAL 62 7.305 -5.921 0.840 354 HA VAL 62 HA VAL 62 6.130 -6.379 -1.842 355 HB VAL 62 HB VAL 62 5.780 -4.046 -2.314 356 1HG1 VAL 62 HG11 VAL 62 5.206 -4.285 0.664 357 2HG1 VAL 62 HG13 VAL 62 4.603 -2.980 -0.429 358 3HG1 VAL 62 HG12 VAL 62 4.115 -4.675 -0.583 359 1HG2 VAL 62 HG22 VAL 62 7.946 -3.346 -0.326 360 2HG2 VAL 62 HG21 VAL 62 7.920 -3.176 -2.082 361 3HG2 VAL 62 HG23 VAL 62 6.855 -2.151 -1.123 362 H VAL 63 H VAL 63 7.589 -5.192 -3.537 363 HA VAL 63 HA VAL 63 10.425 -5.473 -2.758 364 HB VAL 63 HB VAL 63 10.427 -7.675 -3.393 365 1HG1 VAL 63 HG11 VAL 63 7.822 -7.224 -4.949 366 2HG1 VAL 63 HG13 VAL 63 8.644 -8.799 -4.783 367 3HG1 VAL 63 HG12 VAL 63 8.007 -7.976 -3.340 368 1HG2 VAL 63 HG21 VAL 63 11.623 -6.573 -5.280 369 2HG2 VAL 63 HG23 VAL 63 10.817 -8.085 -5.805 370 3HG2 VAL 63 HG22 VAL 63 10.098 -6.505 -6.218 371 H VAL 64 H VAL 64 11.710 -4.008 -3.984 372 HA VAL 64 HA VAL 64 10.038 -2.281 -5.765 373 HB VAL 64 HB VAL 64 12.609 -1.647 -4.241 374 1HG1 VAL 64 HG12 VAL 64 12.186 -0.215 -6.280 375 2HG1 VAL 64 HG11 VAL 64 10.583 0.225 -5.630 376 3HG1 VAL 64 HG13 VAL 64 12.053 0.729 -4.765 377 1HG2 VAL 64 HG21 VAL 64 10.720 -2.147 -2.651 378 2HG2 VAL 64 HG23 VAL 64 11.173 -0.426 -2.647 379 3HG2 VAL 64 HG22 VAL 64 9.692 -0.969 -3.511 380 H ALA 65 H ALA 65 10.761 -2.166 -7.998 381 HA ALA 65 HA ALA 65 13.470 -3.334 -8.630 382 1HB ALA 65 HB2 ALA 65 10.759 -4.278 -9.734 383 2HB ALA 65 HB1 ALA 65 12.364 -4.825 -10.308 384 3HB ALA 65 HB3 ALA 65 11.824 -5.212 -8.647 385 H GLY 66 H GLY 66 14.012 -1.020 -9.146 386 1HA GLY 66 HA1 GLY 66 12.870 0.900 -10.434 387 2HA GLY 66 HA2 GLY 66 14.438 0.347 -11.056 388 H SER 67 H SER 67 11.191 0.955 -12.030 389 HA SER 67 HA SER 67 10.575 0.539 -14.343 390 1HB SER 67 HB2 SER 67 10.604 -1.690 -15.342 391 2HB SER 67 HB1 SER 67 12.259 -1.126 -15.042 392 HG SER 67 HG SER 67 10.788 -3.011 -13.394 393 H GLY 68 H GLY 68 10.159 -1.161 -11.224 394 1HA GLY 68 HA1 GLY 68 7.430 -0.641 -11.342 395 2HA GLY 68 HA2 GLY 68 7.662 -2.363 -11.754 396 H VAL 69 H VAL 69 6.211 -1.875 -9.445 397 HA VAL 69 HA VAL 69 8.123 -2.670 -7.296 398 HB VAL 69 HB VAL 69 5.835 -0.688 -6.887 399 1HG1 VAL 69 HG11 VAL 69 7.883 -1.849 -4.908 400 2HG1 VAL 69 HG13 VAL 69 6.846 -0.453 -4.553 401 3HG1 VAL 69 HG12 VAL 69 6.114 -2.039 -4.912 402 1HG2 VAL 69 HG22 VAL 69 8.853 -0.213 -7.109 403 2HG2 VAL 69 HG21 VAL 69 7.539 0.540 -8.045 404 3HG2 VAL 69 HG23 VAL 69 7.769 0.978 -6.330 405 H GLN 70 H GLN 70 7.086 -4.334 -5.928 406 HA GLN 70 HA GLN 70 4.390 -4.994 -6.884 407 1HB GLN 70 HB2 GLN 70 5.862 -7.431 -6.207 408 2HB GLN 70 HB1 GLN 70 5.037 -7.056 -7.727 409 1HG GLN 70 HG2 GLN 70 7.006 -5.885 -8.633 410 2HG GLN 70 HG1 GLN 70 7.916 -6.201 -7.148 411 1HE2 GLN 70 HE22 GLN 70 7.679 -9.209 -9.849 412 2HE2 GLN 70 HE21 GLN 70 7.135 -7.628 -10.249 413 H ALA 71 H ALA 71 2.892 -5.619 -5.156 414 HA ALA 71 HA ALA 71 4.117 -5.699 -2.536 415 1HB ALA 71 HB2 ALA 71 2.168 -3.445 -3.519 416 2HB ALA 71 HB1 ALA 71 2.208 -3.944 -1.819 417 3HB ALA 71 HB3 ALA 71 3.655 -3.310 -2.676 418 H ILE 72 H ILE 72 2.928 -6.767 -0.850 419 HA ILE 72 HA ILE 72 0.658 -8.246 -1.965 420 HB ILE 72 HB ILE 72 3.355 -9.350 -1.516 421 1HG1 ILE 72 HG12 ILE 72 2.064 -11.476 -2.623 422 2HG1 ILE 72 HG11 ILE 72 0.792 -10.301 -2.950 423 1HG2 ILE 72 HG22 ILE 72 2.438 -10.061 0.687 424 2HG2 ILE 72 HG21 ILE 72 1.111 -10.925 -0.181 425 3HG2 ILE 72 HG23 ILE 72 2.811 -11.424 -0.380 426 1HD1 ILE 72 HD12 ILE 72 2.571 -8.883 -4.119 427 2HD1 ILE 72 HD11 ILE 72 3.746 -10.193 -3.856 428 3HD1 ILE 72 HD13 ILE 72 2.311 -10.470 -4.890 429 H PHE 73 H PHE 73 -1.002 -8.709 -0.391 430 HA PHE 73 HA PHE 73 -0.259 -8.014 2.434 431 1HB PHE 73 HB2 PHE 73 -2.251 -6.764 2.789 432 2HB PHE 73 HB1 PHE 73 -1.258 -6.043 1.488 433 HD1 PHE 73 HD1 PHE 73 -1.823 -6.554 -0.964 434 HD2 PHE 73 HD2 PHE 73 -4.632 -6.948 2.267 435 HE1 PHE 73 HE1 PHE 73 -3.708 -6.229 -2.535 436 HE2 PHE 73 HE2 PHE 73 -6.457 -6.202 0.723 437 HZ PHE 73 HZ PHE 73 -6.016 -5.968 -1.686 438 H GLY 74 H GLY 74 0.130 -10.432 1.848 439 1HA GLY 74 HA1 GLY 74 -2.398 -12.019 2.003 440 2HA GLY 74 HA2 GLY 74 -0.755 -12.600 1.691 441 H THR 75 H THR 75 -0.613 -14.099 3.521 442 HA THR 75 HA THR 75 -0.794 -14.716 5.787 443 HB THR 75 HB THR 75 1.511 -14.346 5.557 444 HG1 THR 75 HG1 THR 75 1.946 -13.431 7.678 445 1HG2 THR 75 HG22 THR 75 0.965 -11.298 5.483 446 2HG2 THR 75 HG21 THR 75 2.564 -12.039 5.733 447 3HG2 THR 75 HG23 THR 75 1.666 -12.324 4.215 448 H LYS 76 H LYS 76 -0.157 -11.731 7.378 449 HA LYS 76 HA LYS 76 -2.808 -11.762 8.540 450 1HB LYS 76 HB2 LYS 76 -0.232 -10.521 9.201 451 2HB LYS 76 HB1 LYS 76 -1.369 -9.236 9.007 452 1HG LYS 76 HG2 LYS 76 -1.589 -9.651 11.237 453 2HG LYS 76 HG1 LYS 76 -2.920 -10.679 10.631 454 1HD LYS 76 HD2 LYS 76 -1.248 -12.645 10.679 455 2HD LYS 76 HD1 LYS 76 -0.063 -11.542 11.437 456 1HE LYS 76 HE2 LYS 76 -2.780 -12.415 12.591 457 2HE LYS 76 HE1 LYS 76 -1.155 -12.855 13.184 458 1HZ LYS 76 HZ2 LYS 76 -0.791 -10.397 13.674 459 2HZ LYS 76 HZ1 LYS 76 -2.491 -10.138 13.348 460 3HZ LYS 76 HZ3 LYS 76 -2.004 -11.175 14.639 461 H SER 77 H SER 77 -3.759 -11.736 6.025 462 HA SER 77 HA SER 77 -3.672 -9.099 4.835 463 1HB SER 77 HB2 SER 77 -5.315 -9.759 3.266 464 2HB SER 77 HB1 SER 77 -4.188 -11.142 3.437 465 HG SER 77 HG SER 77 -5.887 -12.180 4.671 466 H ASP 78 H ASP 78 -6.146 -11.074 6.708 467 HA ASP 78 HA ASP 78 -8.146 -9.108 6.669 468 1HB ASP 78 HB2 ASP 78 -7.511 -11.183 8.850 469 2HB ASP 78 HB1 ASP 78 -9.033 -10.254 8.743 470 H ASN 79 H ASN 79 -5.308 -9.428 8.926 471 HA ASN 79 HA ASN 79 -6.287 -7.343 10.660 472 1HB ASN 79 HB2 ASN 79 -4.569 -9.034 11.349 473 2HB ASN 79 HB1 ASN 79 -3.416 -8.299 10.200 474 1HD2 ASN 79 HD22 ASN 79 -2.392 -5.939 12.676 475 2HD2 ASN 79 HD21 ASN 79 -1.935 -6.842 11.280 476 H LEU 80 H LEU 80 -4.038 -7.394 7.790 477 HA LEU 80 HA LEU 80 -3.404 -4.557 8.081 478 1HB LEU 80 HB2 LEU 80 -2.877 -6.617 5.898 479 2HB LEU 80 HB1 LEU 80 -2.635 -4.898 5.580 480 HG LEU 80 HG LEU 80 -0.605 -6.359 6.395 481 1HD1 LEU 80 HD12 LEU 80 -0.453 -3.928 5.973 482 2HD1 LEU 80 HD11 LEU 80 -1.180 -3.608 7.577 483 3HD1 LEU 80 HD13 LEU 80 0.450 -4.333 7.454 484 1HD2 LEU 80 HD21 LEU 80 -1.821 -7.089 8.611 485 2HD2 LEU 80 HD23 LEU 80 -0.160 -6.466 8.764 486 3HD2 LEU 80 HD22 LEU 80 -1.549 -5.445 9.206 487 H LYS 81 H LYS 81 -6.010 -6.429 6.408 488 HA LYS 81 HA LYS 81 -6.900 -4.032 4.978 489 1HB LYS 81 HB2 LYS 81 -8.335 -6.683 5.518 490 2HB LYS 81 HB1 LYS 81 -8.958 -5.373 4.471 491 1HG LYS 81 HG2 LYS 81 -6.887 -5.564 3.038 492 2HG LYS 81 HG1 LYS 81 -6.366 -6.967 3.994 493 1HD LYS 81 HD2 LYS 81 -8.786 -6.781 2.131 494 2HD LYS 81 HD1 LYS 81 -7.377 -7.881 2.034 495 1HE LYS 81 HE2 LYS 81 -8.151 -8.978 4.197 496 2HE LYS 81 HE1 LYS 81 -9.650 -8.003 4.080 497 1HZ LYS 81 HZ2 LYS 81 -10.047 -9.005 1.807 498 2HZ LYS 81 HZ1 LYS 81 -8.677 -10.030 2.043 499 3HZ LYS 81 HZ3 LYS 81 -10.051 -10.184 3.084 500 H THR 82 H THR 82 -7.477 -5.622 8.207 501 HA THR 82 HA THR 82 -9.920 -4.241 8.762 502 HB THR 82 HB THR 82 -7.754 -5.398 10.591 503 HG1 THR 82 HG1 THR 82 -9.328 -6.835 9.537 504 1HG2 THR 82 HG22 THR 82 -10.303 -3.906 11.431 505 2HG2 THR 82 HG21 THR 82 -9.355 -4.989 12.497 506 3HG2 THR 82 HG23 THR 82 -8.610 -3.493 11.868 507 H GLU 83 H GLU 83 -6.447 -3.407 9.708 508 HA GLU 83 HA GLU 83 -7.183 -0.884 10.718 509 1HB GLU 83 HB2 GLU 83 -4.860 -0.168 10.511 510 2HB GLU 83 HB1 GLU 83 -4.887 -1.882 11.006 511 1HG GLU 83 HG2 GLU 83 -4.535 -2.546 8.620 512 2HG GLU 83 HG1 GLU 83 -4.466 -0.826 8.127 513 H MET 84 H MET 84 -6.542 -1.881 7.202 514 HA MET 84 HA MET 84 -6.645 0.824 6.330 515 1HB MET 84 HB2 MET 84 -7.488 -1.640 4.697 516 2HB MET 84 HB1 MET 84 -7.400 0.038 4.090 517 1HG MET 84 HG2 MET 84 -4.892 0.039 4.823 518 2HG MET 84 HG1 MET 84 -5.042 -1.740 4.841 519 1HE MET 84 HE2 MET 84 -6.044 -3.093 2.606 520 2HE MET 84 HE1 MET 84 -7.344 -1.912 2.216 521 3HE MET 84 HE3 MET 84 -6.115 -2.329 0.985 522 H ASP 85 H ASP 85 -9.216 -1.692 6.946 523 HA ASP 85 HA ASP 85 -11.312 -0.293 5.822 524 1HB ASP 85 HB2 ASP 85 -11.542 -2.583 6.840 525 2HB ASP 85 HB1 ASP 85 -11.537 -1.835 8.463 526 H GLU 86 H GLU 86 -9.885 0.074 9.201 527 HA GLU 86 HA GLU 86 -11.651 2.157 9.933 528 1HB GLU 86 HB2 GLU 86 -8.743 1.707 10.852 529 2HB GLU 86 HB1 GLU 86 -9.758 3.067 11.403 530 1HG GLU 86 HG2 GLU 86 -11.538 1.343 12.150 531 2HG GLU 86 HG1 GLU 86 -10.272 0.099 11.943 532 H TYR 87 H TYR 87 -8.528 2.274 8.020 533 HA TYR 87 HA TYR 87 -8.214 5.053 8.228 534 1HB TYR 87 HB1 TYR 87 -7.670 3.343 5.731 535 2HB TYR 87 HB2 TYR 87 -6.984 4.944 6.025 536 HD1 TYR 87 HD2 TYR 87 -6.696 3.692 9.291 537 HD2 TYR 87 HD1 TYR 87 -5.202 2.893 5.338 538 HE1 TYR 87 HE2 TYR 87 -4.940 2.296 10.226 539 HE2 TYR 87 HE1 TYR 87 -3.188 1.838 6.316 540 HH TYR 87 HH TYR 87 -2.870 1.132 9.799 541 H ILE 88 H ILE 88 -10.265 3.247 5.811 542 HA ILE 88 HA ILE 88 -10.893 5.741 4.449 543 HB ILE 88 HB ILE 88 -12.559 3.185 4.301 544 1HG1 ILE 88 HG12 ILE 88 -10.818 3.324 1.983 545 2HG1 ILE 88 HG11 ILE 88 -9.761 3.605 3.372 546 1HG2 ILE 88 HG22 ILE 88 -13.594 5.246 3.333 547 2HG2 ILE 88 HG21 ILE 88 -12.160 5.488 2.293 548 3HG2 ILE 88 HG23 ILE 88 -13.205 4.057 2.064 549 1HD1 ILE 88 HD12 ILE 88 -10.801 1.471 4.419 550 2HD1 ILE 88 HD11 ILE 88 -11.619 1.188 2.873 551 3HD1 ILE 88 HD13 ILE 88 -9.828 1.191 2.956 552 H ARG 89 H ARG 89 -12.512 3.630 6.945 553 HA ARG 89 HA ARG 89 -14.872 5.250 7.117 554 1HB ARG 89 HB2 ARG 89 -13.497 3.484 9.229 555 2HB ARG 89 HB1 ARG 89 -15.095 4.237 9.441 556 1HG ARG 89 HG2 ARG 89 -16.037 2.986 7.551 557 2HG ARG 89 HG1 ARG 89 -14.462 2.290 7.126 558 1HD ARG 89 HD2 ARG 89 -14.650 0.613 8.797 559 2HD ARG 89 HD1 ARG 89 -15.228 1.779 9.962 560 HE ARG 89 HE ARG 89 -17.403 1.247 9.571 561 1HH1 ARG 89 HH11 ARG 89 -15.490 0.091 6.745 562 2HH1 ARG 89 HH12 ARG 89 -16.861 -0.791 6.090 563 1HH2 ARG 89 HH21 ARG 89 -19.097 0.123 8.645 564 2HH2 ARG 89 HH22 ARG 89 -18.877 -0.761 7.135 565 H ASN 90 H ASN 90 -11.568 5.647 8.464 566 HA ASN 90 HA ASN 90 -12.379 7.772 10.303 567 1HB ASN 90 HB2 ASN 90 -10.350 6.329 10.731 568 2HB ASN 90 HB1 ASN 90 -9.590 6.967 9.258 569 1HD2 ASN 90 HD22 ASN 90 -9.841 9.343 12.672 570 2HD2 ASN 90 HD21 ASN 90 -10.850 7.948 12.556 571 H PHE 91 H PHE 91 -11.328 7.499 6.856 572 HA PHE 91 HA PHE 91 -11.280 10.512 6.719 573 1HB PHE 91 HB2 PHE 91 -9.127 8.712 6.410 574 2HB PHE 91 HB1 PHE 91 -9.668 8.913 4.738 575 HD1 PHE 91 HD2 PHE 91 -9.023 10.836 7.927 576 HD2 PHE 91 HD1 PHE 91 -8.651 10.862 3.633 577 HE1 PHE 91 HE2 PHE 91 -7.665 12.903 8.057 578 HE2 PHE 91 HE1 PHE 91 -7.240 12.894 3.773 579 HZ PHE 91 HZ PHE 91 -6.737 13.914 5.983 580 H GLY 92 H GLY 92 -13.715 8.975 6.516 581 1HA GLY 92 HA1 GLY 92 -14.647 9.909 3.977 582 2HA GLY 92 HA2 GLY 92 -14.244 8.168 3.845 No H/Q in entry = 582 Start of MODEL 7 1 H MET 15 H MET 15 -2.538 8.028 12.058 2 HA MET 15 HA MET 15 -1.370 8.531 10.019 3 1HB MET 15 HB2 MET 15 1.022 7.746 11.794 4 2HB MET 15 HB1 MET 15 1.184 7.852 10.028 5 1HG MET 15 HG2 MET 15 0.327 10.260 10.099 6 2HG MET 15 HG1 MET 15 0.351 10.150 11.883 7 1HE MET 15 HE1 MET 15 2.344 10.506 8.538 8 2HE MET 15 HE3 MET 15 4.050 10.272 9.027 9 3HE MET 15 HE2 MET 15 2.965 8.863 8.900 10 H ALA 16 H ALA 16 -2.282 5.668 11.547 11 HA ALA 16 HA ALA 16 -0.856 3.826 10.122 12 1HB ALA 16 HB3 ALA 16 -2.571 3.250 11.876 13 2HB ALA 16 HB2 ALA 16 -3.852 3.406 10.643 14 3HB ALA 16 HB1 ALA 16 -2.547 2.223 10.443 15 HA PRO 17 HA PRO 17 -3.309 4.504 6.125 16 1HB PRO 17 HB2 PRO 17 -5.122 6.509 5.817 17 2HB PRO 17 HB1 PRO 17 -5.492 5.018 6.728 18 1HG PRO 17 HG2 PRO 17 -4.611 7.750 7.845 19 2HG PRO 17 HG1 PRO 17 -5.980 6.838 8.495 20 1HD PRO 17 HD2 PRO 17 -3.603 6.685 9.703 21 2HD PRO 17 HD1 PRO 17 -4.695 5.254 9.615 22 H ALA 18 H ALA 18 -2.245 7.613 7.802 23 HA ALA 18 HA ALA 18 -1.824 9.166 5.506 24 1HB ALA 18 HB2 ALA 18 0.135 8.764 7.870 25 2HB ALA 18 HB1 ALA 18 0.207 10.104 6.689 26 3HB ALA 18 HB3 ALA 18 -1.181 9.980 7.812 27 H LEU 19 H LEU 19 -0.093 6.264 6.815 28 HA LEU 19 HA LEU 19 1.989 6.470 4.936 29 1HB LEU 19 HB2 LEU 19 1.672 4.839 7.105 30 2HB LEU 19 HB1 LEU 19 1.123 3.712 5.838 31 HG LEU 19 HG LEU 19 3.427 3.224 6.102 32 1HD1 LEU 19 HD12 LEU 19 2.827 3.678 3.690 33 2HD1 LEU 19 HD11 LEU 19 3.550 5.309 3.829 34 3HD1 LEU 19 HD13 LEU 19 4.563 3.916 4.060 35 1HD2 LEU 19 HD22 LEU 19 4.038 6.246 6.264 36 2HD2 LEU 19 HD21 LEU 19 4.082 5.067 7.606 37 3HD2 LEU 19 HD23 LEU 19 5.249 4.938 6.267 38 H VAL 20 H VAL 20 -1.108 4.384 4.924 39 HA VAL 20 HA VAL 20 -0.570 3.277 2.462 40 HB VAL 20 HB VAL 20 -2.697 2.822 3.995 41 1HG1 VAL 20 HG12 VAL 20 -3.866 5.059 3.528 42 2HG1 VAL 20 HG11 VAL 20 -3.993 4.591 1.811 43 3HG1 VAL 20 HG13 VAL 20 -4.840 3.652 3.064 44 1HG2 VAL 20 HG22 VAL 20 -2.691 2.510 0.932 45 2HG2 VAL 20 HG21 VAL 20 -2.033 1.351 2.123 46 3HG2 VAL 20 HG23 VAL 20 -3.788 1.637 2.029 47 H ALA 21 H ALA 21 -1.782 6.575 3.200 48 HA ALA 21 HA ALA 21 -2.478 7.157 0.512 49 1HB ALA 21 HB3 ALA 21 -3.310 8.537 2.415 50 2HB ALA 21 HB2 ALA 21 -1.646 9.112 2.742 51 3HB ALA 21 HB1 ALA 21 -2.455 9.551 1.210 52 H ALA 22 H ALA 22 0.629 7.440 2.428 53 HA ALA 22 HA ALA 22 2.097 9.089 0.859 54 1HB ALA 22 HB3 ALA 22 3.048 7.798 2.856 55 2HB ALA 22 HB2 ALA 22 3.209 6.376 1.770 56 3HB ALA 22 HB1 ALA 22 4.144 7.858 1.446 57 H PHE 23 H PHE 23 1.155 5.712 -0.073 58 HA PHE 23 HA PHE 23 2.353 6.268 -2.780 59 1HB PHE 23 HB2 PHE 23 3.317 4.436 -1.107 60 2HB PHE 23 HB1 PHE 23 2.014 3.447 -1.917 61 HD1 PHE 23 HD2 PHE 23 2.315 4.667 -4.725 62 HD2 PHE 23 HD1 PHE 23 5.155 3.176 -1.857 63 HE1 PHE 23 HE2 PHE 23 3.769 3.871 -6.525 64 HE2 PHE 23 HE1 PHE 23 6.747 2.698 -3.700 65 HZ PHE 23 HZ PHE 23 6.024 2.977 -6.055 66 H GLY 24 H GLY 24 -0.306 4.311 -1.049 67 1HA GLY 24 HA1 GLY 24 -1.750 4.049 -3.556 68 2HA GLY 24 HA2 GLY 24 -2.319 3.609 -1.933 69 H GLY 25 H GLY 25 -1.256 6.947 -1.790 70 1HA GLY 25 HA1 GLY 25 -4.107 7.798 -2.122 71 2HA GLY 25 HA2 GLY 25 -2.849 8.657 -1.225 72 H LYS 26 H LYS 26 -1.161 7.835 -4.062 73 HA LYS 26 HA LYS 26 -1.774 10.580 -5.050 74 1HB LYS 26 HB2 LYS 26 0.371 8.748 -6.256 75 2HB LYS 26 HB1 LYS 26 0.081 10.476 -6.472 76 1HG LYS 26 HG2 LYS 26 1.767 10.687 -4.905 77 2HG LYS 26 HG1 LYS 26 0.422 10.502 -3.780 78 1HD LYS 26 HD2 LYS 26 1.545 8.773 -2.871 79 2HD LYS 26 HD1 LYS 26 1.179 7.801 -4.287 80 1HE LYS 26 HE2 LYS 26 3.700 9.541 -4.316 81 2HE LYS 26 HE1 LYS 26 3.712 7.997 -3.482 82 1HZ LYS 26 HZ2 LYS 26 2.964 6.842 -5.565 83 2HZ LYS 26 HZ1 LYS 26 3.152 8.350 -6.412 84 3HZ LYS 26 HZ3 LYS 26 4.512 7.571 -5.604 85 H GLU 27 H GLU 27 -4.060 9.904 -5.700 86 HA GLU 27 HA GLU 27 -4.569 7.691 -7.268 87 1HB GLU 27 HB2 GLU 27 -6.660 8.554 -7.791 88 2HB GLU 27 HB1 GLU 27 -6.242 9.673 -6.480 89 1HG GLU 27 HG2 GLU 27 -5.378 11.295 -8.314 90 2HG GLU 27 HG1 GLU 27 -6.033 10.156 -9.525 91 H ASN 28 H ASN 28 -2.913 10.711 -8.260 92 HA ASN 28 HA ASN 28 -2.930 10.577 -10.985 93 1HB ASN 28 HB2 ASN 28 -1.636 12.257 -9.669 94 2HB ASN 28 HB1 ASN 28 -0.487 10.997 -9.153 95 1HD2 ASN 28 HD22 ASN 28 1.462 11.492 -12.135 96 2HD2 ASN 28 HD21 ASN 28 1.438 10.905 -10.515 97 H ILE 29 H ILE 29 -1.406 8.119 -8.898 98 HA ILE 29 HA ILE 29 0.205 6.589 -9.890 99 HB ILE 29 HB ILE 29 -2.529 6.072 -8.964 100 1HG1 ILE 29 HG12 ILE 29 -1.503 4.025 -7.963 101 2HG1 ILE 29 HG11 ILE 29 0.016 4.407 -8.850 102 1HG2 ILE 29 HG22 ILE 29 -3.049 5.052 -11.129 103 2HG2 ILE 29 HG21 ILE 29 -1.656 3.944 -10.998 104 3HG2 ILE 29 HG23 ILE 29 -3.006 3.828 -9.845 105 1HD1 ILE 29 HD12 ILE 29 0.148 6.548 -7.455 106 2HD1 ILE 29 HD11 ILE 29 -1.315 5.991 -6.567 107 3HD1 ILE 29 HD13 ILE 29 0.192 5.051 -6.490 108 H THR 30 H THR 30 0.742 4.890 -11.381 109 HA THR 30 HA THR 30 -0.089 5.551 -14.177 110 HB THR 30 HB THR 30 2.573 5.441 -12.815 111 HG1 THR 30 HG1 THR 30 1.707 7.329 -13.912 112 1HG2 THR 30 HG22 THR 30 2.240 4.176 -15.586 113 2HG2 THR 30 HG21 THR 30 3.783 4.699 -14.848 114 3HG2 THR 30 HG23 THR 30 2.865 3.364 -14.105 115 H ASN 31 H ASN 31 1.238 2.685 -12.151 116 HA ASN 31 HA ASN 31 -0.796 1.086 -13.581 117 1HB ASN 31 HB2 ASN 31 2.103 1.021 -14.301 118 2HB ASN 31 HB1 ASN 31 1.470 -0.572 -13.864 119 1HD2 ASN 31 HD22 ASN 31 0.098 1.181 -17.324 120 2HD2 ASN 31 HD21 ASN 31 0.952 2.172 -16.197 121 H LEU 32 H LEU 32 -1.854 0.099 -11.829 122 HA LEU 32 HA LEU 32 -0.105 -1.144 -9.692 123 1HB LEU 32 HB2 LEU 32 -2.906 0.132 -9.711 124 2HB LEU 32 HB1 LEU 32 -2.559 -1.164 -8.558 125 HG LEU 32 HG LEU 32 -0.886 0.064 -7.420 126 1HD1 LEU 32 HD12 LEU 32 0.378 1.112 -9.351 127 2HD1 LEU 32 HD11 LEU 32 -0.991 2.208 -9.592 128 3HD1 LEU 32 HD13 LEU 32 0.002 2.252 -8.081 129 1HD2 LEU 32 HD21 LEU 32 -3.195 0.688 -6.835 130 2HD2 LEU 32 HD23 LEU 32 -2.054 2.030 -6.589 131 3HD2 LEU 32 HD22 LEU 32 -3.136 2.026 -8.011 132 H ASP 33 H ASP 33 -1.118 -3.173 -8.762 133 HA ASP 33 HA ASP 33 -2.712 -4.669 -10.801 134 1HB ASP 33 HB2 ASP 33 -0.247 -5.831 -9.436 135 2HB ASP 33 HB1 ASP 33 -1.268 -6.653 -10.606 136 H ALA 34 H ALA 34 -4.317 -3.883 -9.051 137 HA ALA 34 HA ALA 34 -4.076 -4.891 -6.406 138 1HB ALA 34 HB3 ALA 34 -5.711 -3.135 -6.944 139 2HB ALA 34 HB2 ALA 34 -6.654 -4.288 -7.939 140 3HB ALA 34 HB1 ALA 34 -6.517 -4.534 -6.170 141 H CYS 35 H CYS 35 -4.979 -6.901 -5.422 142 HA CYS 35 HA CYS 35 -6.385 -8.760 -7.113 143 1HB CYS 35 HB2 CYS 35 -3.546 -8.826 -7.453 144 2HB CYS 35 HB1 CYS 35 -3.873 -10.163 -6.317 145 HG CYS 35 HG CYS 35 -3.993 -10.960 -8.696 146 H ILE 36 H ILE 36 -6.480 -11.055 -5.934 147 HA ILE 36 HA ILE 36 -8.018 -10.702 -3.839 148 HB ILE 36 HB ILE 36 -7.641 -12.914 -2.908 149 1HG1 ILE 36 HG12 ILE 36 -5.278 -13.368 -2.897 150 2HG1 ILE 36 HG11 ILE 36 -6.085 -14.586 -3.868 151 1HG2 ILE 36 HG22 ILE 36 -9.031 -12.610 -4.970 152 2HG2 ILE 36 HG21 ILE 36 -7.641 -13.079 -5.985 153 3HG2 ILE 36 HG23 ILE 36 -8.326 -14.239 -4.826 154 1HD1 ILE 36 HD11 ILE 36 -4.517 -12.248 -5.152 155 2HD1 ILE 36 HD13 ILE 36 -3.937 -13.889 -4.825 156 3HD1 ILE 36 HD12 ILE 36 -5.269 -13.625 -5.984 157 H THR 37 H THR 37 -4.491 -11.248 -3.127 158 HA THR 37 HA THR 37 -4.769 -9.419 -0.834 159 HB THR 37 HB THR 37 -4.709 -12.436 -0.638 160 HG1 THR 37 HG1 THR 37 -6.435 -11.084 0.226 161 1HG2 THR 37 HG22 THR 37 -2.887 -10.679 1.021 162 2HG2 THR 37 HG21 THR 37 -3.548 -12.181 1.678 163 3HG2 THR 37 HG23 THR 37 -2.512 -12.248 0.231 164 H ARG 38 H ARG 38 -3.805 -8.947 -3.318 165 HA ARG 38 HA ARG 38 -0.953 -8.618 -2.707 166 1HB ARG 38 HB2 ARG 38 -1.783 -9.584 -5.496 167 2HB ARG 38 HB1 ARG 38 -0.165 -9.341 -4.870 168 1HG ARG 38 HG2 ARG 38 -0.826 -11.301 -3.138 169 2HG ARG 38 HG1 ARG 38 -2.198 -11.552 -4.228 170 1HD ARG 38 HD2 ARG 38 -0.039 -11.573 -6.065 171 2HD ARG 38 HD1 ARG 38 0.729 -12.158 -4.620 172 HE ARG 38 HE ARG 38 -0.511 -14.102 -4.530 173 1HH1 ARG 38 HH11 ARG 38 -1.900 -11.979 -7.124 174 2HH1 ARG 38 HH12 ARG 38 -2.750 -13.333 -7.845 175 1HH2 ARG 38 HH21 ARG 38 -1.706 -15.719 -5.507 176 2HH2 ARG 38 HH22 ARG 38 -2.677 -15.389 -6.938 177 H LEU 39 H LEU 39 -0.300 -6.464 -3.448 178 HA LEU 39 HA LEU 39 -2.063 -5.141 -5.416 179 1HB LEU 39 HB2 LEU 39 -2.623 -3.263 -3.909 180 2HB LEU 39 HB1 LEU 39 -3.322 -4.843 -3.478 181 HG LEU 39 HG LEU 39 -1.058 -4.846 -1.818 182 1HD1 LEU 39 HD12 LEU 39 -0.567 -2.408 -2.367 183 2HD1 LEU 39 HD11 LEU 39 -2.186 -1.971 -1.764 184 3HD1 LEU 39 HD13 LEU 39 -0.970 -2.667 -0.653 185 1HD2 LEU 39 HD22 LEU 39 -3.874 -3.815 -1.099 186 2HD2 LEU 39 HD21 LEU 39 -3.347 -5.528 -1.113 187 3HD2 LEU 39 HD23 LEU 39 -2.629 -4.385 0.051 188 H ARG 40 H ARG 40 -0.432 -4.637 -6.857 189 HA ARG 40 HA ARG 40 2.213 -3.931 -5.841 190 1HB ARG 40 HB2 ARG 40 1.190 -4.172 -8.756 191 2HB ARG 40 HB1 ARG 40 2.867 -3.991 -8.272 192 1HG ARG 40 HG2 ARG 40 2.653 -6.142 -6.924 193 2HG ARG 40 HG1 ARG 40 1.024 -6.402 -7.507 194 1HD ARG 40 HD2 ARG 40 1.919 -6.607 -9.796 195 2HD ARG 40 HD1 ARG 40 3.585 -6.304 -9.240 196 HE ARG 40 HE ARG 40 3.008 -8.308 -7.553 197 1HH1 ARG 40 HH11 ARG 40 2.501 -8.211 -11.138 198 2HH1 ARG 40 HH12 ARG 40 2.600 -9.959 -11.239 199 1HH2 ARG 40 HH21 ARG 40 3.176 -10.499 -7.823 200 2HH2 ARG 40 HH22 ARG 40 2.999 -11.227 -9.418 201 H VAL 41 H VAL 41 3.419 -1.871 -6.941 202 HA VAL 41 HA VAL 41 1.426 0.211 -7.469 203 HB VAL 41 HB VAL 41 3.440 1.082 -5.426 204 1HG1 VAL 41 HG12 VAL 41 1.607 2.618 -6.299 205 2HG1 VAL 41 HG11 VAL 41 0.380 1.477 -5.685 206 3HG1 VAL 41 HG13 VAL 41 1.423 2.331 -4.546 207 1HG2 VAL 41 HG21 VAL 41 2.947 -1.082 -4.433 208 2HG2 VAL 41 HG23 VAL 41 2.241 0.237 -3.476 209 3HG2 VAL 41 HG22 VAL 41 1.186 -0.756 -4.506 210 H SER 42 H SER 42 2.524 -0.318 -9.685 211 HA SER 42 HA SER 42 5.259 0.638 -9.812 212 1HB SER 42 HB2 SER 42 3.493 0.096 -12.255 213 2HB SER 42 HB1 SER 42 5.248 0.284 -12.210 214 HG SER 42 HG SER 42 3.809 -1.874 -10.968 215 H VAL 43 H VAL 43 5.898 2.819 -9.807 216 HA VAL 43 HA VAL 43 4.337 4.641 -11.515 217 HB VAL 43 HB VAL 43 4.014 6.317 -9.766 218 1HG1 VAL 43 HG11 VAL 43 3.109 3.570 -8.652 219 2HG1 VAL 43 HG13 VAL 43 2.465 5.166 -8.167 220 3HG1 VAL 43 HG12 VAL 43 2.273 4.572 -9.824 221 1HG2 VAL 43 HG22 VAL 43 5.646 4.463 -7.955 222 2HG2 VAL 43 HG21 VAL 43 6.120 6.092 -8.478 223 3HG2 VAL 43 HG23 VAL 43 4.757 5.904 -7.370 224 H ALA 44 H ALA 44 5.474 6.801 -11.786 225 HA ALA 44 HA ALA 44 8.363 6.321 -11.997 226 1HB ALA 44 HB3 ALA 44 7.159 7.635 -13.745 227 2HB ALA 44 HB2 ALA 44 6.718 8.874 -12.531 228 3HB ALA 44 HB1 ALA 44 8.436 8.610 -12.955 229 H ASP 45 H ASP 45 6.105 8.240 -9.868 230 HA ASP 45 HA ASP 45 7.859 9.988 -8.721 231 1HB ASP 45 HB2 ASP 45 5.544 10.125 -8.160 232 2HB ASP 45 HB1 ASP 45 5.536 8.496 -7.488 233 H VAL 46 H VAL 46 7.219 7.336 -6.315 234 HA VAL 46 HA VAL 46 8.686 6.840 -4.660 235 HB VAL 46 HB VAL 46 9.882 4.950 -5.204 236 1HG1 VAL 46 HG12 VAL 46 7.624 4.881 -6.353 237 2HG1 VAL 46 HG11 VAL 46 8.429 5.397 -7.876 238 3HG1 VAL 46 HG13 VAL 46 8.832 3.826 -7.134 239 1HG2 VAL 46 HG22 VAL 46 10.948 6.351 -7.724 240 2HG2 VAL 46 HG21 VAL 46 11.874 5.779 -6.302 241 3HG2 VAL 46 HG23 VAL 46 11.158 4.607 -7.406 242 H SER 47 H SER 47 9.208 9.675 -5.568 243 HA SER 47 HA SER 47 12.080 9.887 -5.738 244 1HB SER 47 HB2 SER 47 10.576 11.625 -6.659 245 2HB SER 47 HB1 SER 47 10.005 12.034 -5.009 246 HG SER 47 HG SER 47 11.831 13.404 -5.694 247 H LYS 48 H LYS 48 9.633 10.390 -3.128 248 HA LYS 48 HA LYS 48 11.759 9.726 -1.141 249 1HB LYS 48 HB2 LYS 48 11.405 11.644 0.174 250 2HB LYS 48 HB1 LYS 48 11.341 12.300 -1.478 251 1HG LYS 48 HG2 LYS 48 9.019 11.826 0.492 252 2HG LYS 48 HG1 LYS 48 9.602 13.359 -0.178 253 1HD LYS 48 HD2 LYS 48 8.836 12.584 -2.479 254 2HD LYS 48 HD1 LYS 48 8.058 11.169 -1.687 255 1HE LYS 48 HE2 LYS 48 7.355 14.094 -1.090 256 2HE LYS 48 HE1 LYS 48 6.448 12.999 -2.163 257 1HZ LYS 48 HZ2 LYS 48 6.055 11.476 -0.228 258 2HZ LYS 48 HZ1 LYS 48 6.808 12.645 0.829 259 3HZ LYS 48 HZ3 LYS 48 5.363 13.054 -0.020 260 H VAL 49 H VAL 49 9.394 8.194 -2.358 261 HA VAL 49 HA VAL 49 7.285 8.402 -0.461 262 HB VAL 49 HB VAL 49 7.168 7.451 -2.826 263 1HG1 VAL 49 HG12 VAL 49 9.165 5.811 -2.527 264 2HG1 VAL 49 HG11 VAL 49 8.114 4.869 -1.453 265 3HG1 VAL 49 HG13 VAL 49 7.687 5.037 -3.176 266 1HG2 VAL 49 HG21 VAL 49 5.289 7.217 -1.117 267 2HG2 VAL 49 HG23 VAL 49 5.298 6.007 -2.418 268 3HG2 VAL 49 HG22 VAL 49 5.854 5.558 -0.784 269 H ASP 50 H ASP 50 6.619 6.684 1.205 270 HA ASP 50 HA ASP 50 9.110 5.667 2.546 271 1HB ASP 50 HB2 ASP 50 7.677 7.376 3.692 272 2HB ASP 50 HB1 ASP 50 6.305 6.238 3.661 273 H GLN 51 H GLN 51 8.829 3.836 0.640 274 HA GLN 51 HA GLN 51 6.690 1.980 1.042 275 1HB GLN 51 HB2 GLN 51 9.538 1.195 0.152 276 2HB GLN 51 HB1 GLN 51 8.059 0.219 0.051 277 1HG GLN 51 HG2 GLN 51 7.681 1.046 -2.042 278 2HG GLN 51 HG1 GLN 51 7.339 2.616 -1.287 279 1HE2 GLN 51 HE22 GLN 51 10.307 2.713 -3.805 280 2HE2 GLN 51 HE21 GLN 51 8.952 1.667 -3.914 281 H ALA 52 H ALA 52 10.023 2.317 2.529 282 HA ALA 52 HA ALA 52 10.187 -0.012 3.919 283 1HB ALA 52 HB3 ALA 52 11.886 1.815 4.134 284 2HB ALA 52 HB2 ALA 52 10.733 2.792 5.093 285 3HB ALA 52 HB1 ALA 52 11.373 1.253 5.752 286 H GLY 53 H GLY 53 7.852 2.672 4.685 287 1HA GLY 53 HA1 GLY 53 6.827 1.102 7.001 288 2HA GLY 53 HA2 GLY 53 6.235 2.674 6.432 289 H LEU 54 H LEU 54 5.744 2.065 3.594 290 HA LEU 54 HA LEU 54 3.108 1.138 4.169 291 1HB LEU 54 HB2 LEU 54 4.058 2.499 2.037 292 2HB LEU 54 HB1 LEU 54 4.101 0.923 1.263 293 HG LEU 54 HG LEU 54 1.485 1.794 2.679 294 1HD1 LEU 54 HD11 LEU 54 2.531 2.677 0.049 295 2HD1 LEU 54 HD13 LEU 54 0.829 2.970 0.520 296 3HD1 LEU 54 HD12 LEU 54 2.158 3.822 1.355 297 1HD2 LEU 54 HD21 LEU 54 1.643 -0.545 1.508 298 2HD2 LEU 54 HD23 LEU 54 0.391 0.538 0.850 299 3HD2 LEU 54 HD22 LEU 54 1.932 0.318 -0.018 300 H LYS 55 H LYS 55 6.079 -0.452 3.025 301 HA LYS 55 HA LYS 55 4.851 -2.729 2.181 302 1HB LYS 55 HB2 LYS 55 7.144 -3.869 2.436 303 2HB LYS 55 HB1 LYS 55 7.202 -2.198 1.784 304 1HG LYS 55 HG2 LYS 55 8.989 -2.083 3.208 305 2HG LYS 55 HG1 LYS 55 7.714 -1.505 4.263 306 1HD LYS 55 HD2 LYS 55 8.490 -3.048 5.766 307 2HD LYS 55 HD1 LYS 55 7.648 -4.276 4.789 308 1HE LYS 55 HE2 LYS 55 10.597 -3.363 4.508 309 2HE LYS 55 HE1 LYS 55 10.054 -4.850 5.316 310 1HZ LYS 55 HZ2 LYS 55 9.166 -5.692 3.178 311 2HZ LYS 55 HZ1 LYS 55 9.711 -4.262 2.348 312 3HZ LYS 55 HZ3 LYS 55 10.867 -5.326 3.072 313 H LYS 56 H LYS 56 5.885 -2.095 5.490 314 HA LYS 56 HA LYS 56 4.814 -4.755 6.314 315 1HB LYS 56 HB2 LYS 56 5.710 -4.262 8.555 316 2HB LYS 56 HB1 LYS 56 6.954 -4.286 7.282 317 1HG LYS 56 HG2 LYS 56 6.996 -1.728 7.306 318 2HG LYS 56 HG1 LYS 56 5.805 -1.744 8.617 319 1HD LYS 56 HD2 LYS 56 8.621 -3.013 8.668 320 2HD LYS 56 HD1 LYS 56 8.226 -1.384 9.268 321 1HE LYS 56 HE2 LYS 56 7.182 -4.032 10.446 322 2HE LYS 56 HE1 LYS 56 8.391 -2.931 11.138 323 1HZ LYS 56 HZ2 LYS 56 6.572 -1.134 11.157 324 2HZ LYS 56 HZ1 LYS 56 5.419 -2.409 10.827 325 3HZ LYS 56 HZ3 LYS 56 6.360 -2.451 12.267 326 H LEU 57 H LEU 57 4.290 -1.218 6.896 327 HA LEU 57 HA LEU 57 2.099 -1.810 8.725 328 1HB LEU 57 HB2 LEU 57 3.705 -0.080 9.198 329 2HB LEU 57 HB1 LEU 57 3.337 0.796 7.696 330 HG LEU 57 HG LEU 57 2.387 1.739 9.858 331 1HD1 LEU 57 HD11 LEU 57 0.554 1.292 7.406 332 2HD1 LEU 57 HD13 LEU 57 0.228 2.399 8.749 333 3HD1 LEU 57 HD12 LEU 57 1.705 2.591 7.785 334 1HD2 LEU 57 HD21 LEU 57 1.545 -0.402 10.873 335 2HD2 LEU 57 HD23 LEU 57 0.313 0.894 10.794 336 3HD2 LEU 57 HD22 LEU 57 0.249 -0.456 9.644 337 H GLY 58 H GLY 58 2.468 -1.084 5.198 338 1HA GLY 58 HA1 GLY 58 -0.475 -0.591 5.014 339 2HA GLY 58 HA2 GLY 58 0.693 -0.388 3.717 340 H ALA 59 H ALA 59 1.985 -2.583 3.134 341 HA ALA 59 HA ALA 59 -0.093 -4.666 2.818 342 1HB ALA 59 HB3 ALA 59 1.063 -3.598 0.824 343 2HB ALA 59 HB2 ALA 59 2.592 -4.340 1.382 344 3HB ALA 59 HB1 ALA 59 1.211 -5.373 0.878 345 H ALA 60 H ALA 60 2.226 -6.769 2.461 346 HA ALA 60 HA ALA 60 3.973 -6.481 4.749 347 1HB ALA 60 HB3 ALA 60 1.970 -7.288 6.032 348 2HB ALA 60 HB2 ALA 60 1.972 -8.760 5.006 349 3HB ALA 60 HB1 ALA 60 3.347 -8.414 6.072 350 H GLY 61 H GLY 61 4.916 -6.537 2.364 351 1HA GLY 61 HA1 GLY 61 6.835 -8.370 2.241 352 2HA GLY 61 HA2 GLY 61 5.506 -9.364 1.593 353 H VAL 62 H VAL 62 7.180 -6.144 1.045 354 HA VAL 62 HA VAL 62 6.191 -6.366 -1.781 355 HB VAL 62 HB VAL 62 6.085 -3.995 -1.910 356 1HG1 VAL 62 HG12 VAL 62 4.335 -4.795 -0.262 357 2HG1 VAL 62 HG11 VAL 62 5.468 -4.490 1.013 358 3HG1 VAL 62 HG13 VAL 62 4.867 -3.126 -0.010 359 1HG2 VAL 62 HG22 VAL 62 8.144 -3.734 0.260 360 2HG2 VAL 62 HG21 VAL 62 8.307 -3.356 -1.464 361 3HG2 VAL 62 HG23 VAL 62 7.221 -2.372 -0.491 362 H VAL 63 H VAL 63 7.660 -5.110 -3.346 363 HA VAL 63 HA VAL 63 10.482 -5.344 -2.570 364 HB VAL 63 HB VAL 63 10.721 -7.433 -3.475 365 1HG1 VAL 63 HG11 VAL 63 7.992 -7.090 -4.761 366 2HG1 VAL 63 HG13 VAL 63 8.961 -8.570 -4.928 367 3HG1 VAL 63 HG12 VAL 63 8.391 -8.047 -3.324 368 1HG2 VAL 63 HG21 VAL 63 11.732 -6.076 -5.280 369 2HG2 VAL 63 HG23 VAL 63 11.002 -7.566 -5.945 370 3HG2 VAL 63 HG22 VAL 63 10.180 -6.001 -6.157 371 H VAL 64 H VAL 64 11.743 -3.763 -3.680 372 HA VAL 64 HA VAL 64 10.061 -1.910 -5.343 373 HB VAL 64 HB VAL 64 12.563 -1.424 -3.640 374 1HG1 VAL 64 HG12 VAL 64 12.478 0.085 -5.623 375 2HG1 VAL 64 HG11 VAL 64 10.810 0.567 -5.209 376 3HG1 VAL 64 HG13 VAL 64 12.164 1.002 -4.125 377 1HG2 VAL 64 HG22 VAL 64 9.615 -0.651 -3.139 378 2HG2 VAL 64 HG21 VAL 64 10.572 -1.839 -2.213 379 3HG2 VAL 64 HG23 VAL 64 10.998 -0.108 -2.149 380 H ALA 65 H ALA 65 10.826 -1.513 -7.519 381 HA ALA 65 HA ALA 65 13.577 -2.496 -8.171 382 1HB ALA 65 HB2 ALA 65 10.961 -3.475 -9.494 383 2HB ALA 65 HB1 ALA 65 12.617 -3.830 -10.068 384 3HB ALA 65 HB3 ALA 65 12.059 -4.455 -8.487 385 H GLY 66 H GLY 66 14.158 -0.205 -8.632 386 1HA GLY 66 HA1 GLY 66 12.803 1.797 -9.666 387 2HA GLY 66 HA2 GLY 66 14.407 1.433 -10.334 388 H SER 67 H SER 67 11.161 1.892 -11.306 389 HA SER 67 HA SER 67 10.640 1.643 -13.675 390 1HB SER 67 HB2 SER 67 10.777 -0.545 -14.820 391 2HB SER 67 HB1 SER 67 12.392 0.071 -14.437 392 HG SER 67 HG SER 67 10.993 -1.962 -12.924 393 H GLY 68 H GLY 68 10.114 -0.221 -10.672 394 1HA GLY 68 HA1 GLY 68 7.351 0.105 -10.896 395 2HA GLY 68 HA2 GLY 68 7.715 -1.548 -11.479 396 H VAL 69 H VAL 69 6.185 -1.292 -9.138 397 HA VAL 69 HA VAL 69 8.107 -2.202 -7.027 398 HB VAL 69 HB VAL 69 5.826 -0.193 -6.632 399 1HG1 VAL 69 HG11 VAL 69 7.751 -1.459 -4.594 400 2HG1 VAL 69 HG13 VAL 69 6.684 -0.087 -4.226 401 3HG1 VAL 69 HG12 VAL 69 5.985 -1.644 -4.681 402 1HG2 VAL 69 HG22 VAL 69 8.888 0.163 -6.589 403 2HG2 VAL 69 HG21 VAL 69 7.709 0.954 -7.684 404 3HG2 VAL 69 HG23 VAL 69 7.746 1.378 -5.952 405 H GLN 70 H GLN 70 7.214 -4.066 -5.951 406 HA GLN 70 HA GLN 70 4.455 -4.751 -6.852 407 1HB GLN 70 HB2 GLN 70 5.873 -6.983 -5.628 408 2HB GLN 70 HB1 GLN 70 5.003 -6.938 -7.160 409 1HG GLN 70 HG2 GLN 70 7.922 -6.041 -6.821 410 2HG GLN 70 HG1 GLN 70 7.379 -7.569 -7.500 411 1HE2 GLN 70 HE22 GLN 70 6.371 -6.152 -10.651 412 2HE2 GLN 70 HE21 GLN 70 6.089 -7.494 -9.609 413 H ALA 71 H ALA 71 3.222 -5.906 -4.854 414 HA ALA 71 HA ALA 71 4.340 -5.335 -2.402 415 1HB ALA 71 HB2 ALA 71 2.543 -3.199 -3.423 416 2HB ALA 71 HB1 ALA 71 2.308 -3.625 -1.696 417 3HB ALA 71 HB3 ALA 71 3.873 -3.020 -2.307 418 H ILE 72 H ILE 72 3.691 -6.972 -1.025 419 HA ILE 72 HA ILE 72 1.119 -8.251 -1.750 420 HB ILE 72 HB ILE 72 3.948 -9.174 -2.181 421 1HG1 ILE 72 HG12 ILE 72 2.699 -11.084 -3.465 422 2HG1 ILE 72 HG11 ILE 72 1.254 -10.117 -3.148 423 1HG2 ILE 72 HG22 ILE 72 3.597 -10.370 0.007 424 2HG2 ILE 72 HG21 ILE 72 2.180 -11.197 -0.713 425 3HG2 ILE 72 HG23 ILE 72 3.810 -11.450 -1.375 426 1HD1 ILE 72 HD12 ILE 72 2.412 -8.186 -4.415 427 2HD1 ILE 72 HD11 ILE 72 3.825 -9.247 -4.670 428 3HD1 ILE 72 HD13 ILE 72 2.259 -9.652 -5.416 429 H PHE 73 H PHE 73 0.344 -9.764 -0.024 430 HA PHE 73 HA PHE 73 1.515 -9.013 2.651 431 1HB PHE 73 HB2 PHE 73 -1.025 -8.348 1.793 432 2HB PHE 73 HB1 PHE 73 -1.325 -9.970 2.474 433 HD1 PHE 73 HD1 PHE 73 -0.397 -10.523 4.845 434 HD2 PHE 73 HD2 PHE 73 -1.129 -6.577 3.327 435 HE1 PHE 73 HE1 PHE 73 -0.058 -9.564 7.113 436 HE2 PHE 73 HE2 PHE 73 -0.875 -5.639 5.585 437 HZ PHE 73 HZ PHE 73 -0.524 -7.209 7.540 438 H GLY 74 H GLY 74 -0.385 -11.681 0.992 439 1HA GLY 74 HA1 GLY 74 0.552 -13.963 1.239 440 2HA GLY 74 HA2 GLY 74 0.874 -13.594 2.947 441 H THR 75 H THR 75 -1.166 -12.679 4.163 442 HA THR 75 HA THR 75 -3.751 -13.802 3.335 443 HB THR 75 HB THR 75 -2.074 -15.290 5.400 444 HG1 THR 75 HG1 THR 75 -2.723 -17.019 3.879 445 1HG2 THR 75 HG22 THR 75 -5.126 -15.391 4.900 446 2HG2 THR 75 HG21 THR 75 -4.219 -16.632 5.813 447 3HG2 THR 75 HG23 THR 75 -4.312 -14.969 6.439 448 H LYS 76 H LYS 76 -1.842 -12.763 6.332 449 HA LYS 76 HA LYS 76 -4.199 -11.705 7.584 450 1HB LYS 76 HB2 LYS 76 -1.222 -11.217 8.027 451 2HB LYS 76 HB1 LYS 76 -2.433 -10.244 8.880 452 1HG LYS 76 HG2 LYS 76 -1.707 -11.987 10.326 453 2HG LYS 76 HG1 LYS 76 -3.397 -12.327 9.876 454 1HD LYS 76 HD2 LYS 76 -2.658 -14.121 8.339 455 2HD LYS 76 HD1 LYS 76 -0.941 -13.660 8.534 456 1HE LYS 76 HE2 LYS 76 -0.910 -14.360 10.871 457 2HE LYS 76 HE1 LYS 76 -2.681 -14.584 10.898 458 1HZ LYS 76 HZ1 LYS 76 -0.766 -16.204 9.187 459 2HZ LYS 76 HZ3 LYS 76 -1.466 -16.724 10.697 460 3HZ LYS 76 HZ2 LYS 76 -2.493 -16.436 9.322 461 H SER 77 H SER 77 -3.244 -10.515 4.494 462 HA SER 77 HA SER 77 -3.226 -7.790 4.853 463 1HB SER 77 HB2 SER 77 -3.415 -9.009 2.544 464 2HB SER 77 HB1 SER 77 -5.150 -9.116 2.866 465 HG SER 77 HG SER 77 -3.662 -6.642 2.681 466 H ASP 78 H ASP 78 -6.199 -9.965 4.938 467 HA ASP 78 HA ASP 78 -8.067 -7.929 5.118 468 1HB ASP 78 HB2 ASP 78 -8.099 -10.534 6.750 469 2HB ASP 78 HB1 ASP 78 -9.522 -9.513 6.390 470 H ASN 79 H ASN 79 -5.979 -9.198 7.822 471 HA ASN 79 HA ASN 79 -7.276 -7.694 9.870 472 1HB ASN 79 HB2 ASN 79 -5.631 -9.476 10.396 473 2HB ASN 79 HB1 ASN 79 -4.319 -8.533 9.656 474 1HD2 ASN 79 HD22 ASN 79 -3.879 -6.419 12.519 475 2HD2 ASN 79 HD21 ASN 79 -3.368 -6.737 10.903 476 H LEU 80 H LEU 80 -4.435 -6.842 7.723 477 HA LEU 80 HA LEU 80 -4.204 -4.323 9.152 478 1HB LEU 80 HB2 LEU 80 -2.415 -5.787 7.598 479 2HB LEU 80 HB1 LEU 80 -2.818 -4.471 6.470 480 HG LEU 80 HG LEU 80 -1.819 -4.166 9.375 481 1HD1 LEU 80 HD12 LEU 80 0.036 -5.012 7.901 482 2HD1 LEU 80 HD11 LEU 80 -0.214 -3.636 6.794 483 3HD1 LEU 80 HD13 LEU 80 0.307 -3.374 8.480 484 1HD2 LEU 80 HD21 LEU 80 -3.273 -2.268 8.573 485 2HD2 LEU 80 HD23 LEU 80 -1.590 -1.787 8.855 486 3HD2 LEU 80 HD22 LEU 80 -2.200 -2.015 7.175 487 H LYS 81 H LYS 81 -5.200 -5.306 5.840 488 HA LYS 81 HA LYS 81 -6.117 -2.916 4.842 489 1HB LYS 81 HB2 LYS 81 -6.150 -5.305 3.759 490 2HB LYS 81 HB1 LYS 81 -7.737 -5.499 4.559 491 1HG LYS 81 HG2 LYS 81 -8.569 -3.515 3.220 492 2HG LYS 81 HG1 LYS 81 -6.929 -3.287 2.551 493 1HD LYS 81 HD2 LYS 81 -8.376 -4.433 0.910 494 2HD LYS 81 HD1 LYS 81 -7.023 -5.489 1.384 495 1HE LYS 81 HE2 LYS 81 -8.468 -6.876 2.780 496 2HE LYS 81 HE1 LYS 81 -9.800 -5.686 2.689 497 1HZ LYS 81 HZ1 LYS 81 -8.699 -7.295 0.353 498 2HZ LYS 81 HZ3 LYS 81 -10.168 -7.639 1.219 499 3HZ LYS 81 HZ2 LYS 81 -10.039 -6.180 0.285 500 H THR 82 H THR 82 -7.788 -5.003 7.337 501 HA THR 82 HA THR 82 -10.206 -3.476 7.395 502 HB THR 82 HB THR 82 -8.811 -5.202 9.495 503 HG1 THR 82 HG1 THR 82 -10.176 -6.155 7.786 504 1HG2 THR 82 HG22 THR 82 -11.314 -3.493 9.963 505 2HG2 THR 82 HG21 THR 82 -10.798 -4.870 10.982 506 3HG2 THR 82 HG23 THR 82 -9.768 -3.418 10.874 507 H GLU 83 H GLU 83 -7.009 -2.933 9.135 508 HA GLU 83 HA GLU 83 -7.932 -0.676 10.534 509 1HB GLU 83 HB2 GLU 83 -5.754 -0.269 11.155 510 2HB GLU 83 HB1 GLU 83 -5.366 -1.784 10.319 511 1HG GLU 83 HG2 GLU 83 -4.910 -0.366 8.207 512 2HG GLU 83 HG1 GLU 83 -5.158 1.096 9.207 513 H MET 84 H MET 84 -7.012 -1.048 7.055 514 HA MET 84 HA MET 84 -6.898 1.783 6.584 515 1HB MET 84 HB2 MET 84 -7.499 -0.430 4.537 516 2HB MET 84 HB1 MET 84 -7.116 1.266 4.167 517 1HG MET 84 HG2 MET 84 -4.834 1.031 5.109 518 2HG MET 84 HG1 MET 84 -5.191 -0.619 5.695 519 1HE MET 84 HE2 MET 84 -2.707 -0.176 4.127 520 2HE MET 84 HE1 MET 84 -3.249 -1.849 4.492 521 3HE MET 84 HE3 MET 84 -2.717 -1.418 2.831 522 H ASP 85 H ASP 85 -9.558 -0.754 6.155 523 HA ASP 85 HA ASP 85 -11.565 0.912 5.262 524 1HB ASP 85 HB2 ASP 85 -12.050 -1.446 5.660 525 2HB ASP 85 HB1 ASP 85 -11.839 -1.257 7.416 526 H GLU 86 H GLU 86 -10.563 0.438 8.750 527 HA GLU 86 HA GLU 86 -12.334 2.238 9.895 528 1HB GLU 86 HB2 GLU 86 -9.594 1.253 10.686 529 2HB GLU 86 HB1 GLU 86 -10.018 2.809 11.400 530 1HG GLU 86 HG2 GLU 86 -11.955 0.426 11.552 531 2HG GLU 86 HG1 GLU 86 -10.643 0.655 12.731 532 H TYR 87 H TYR 87 -9.102 3.158 8.411 533 HA TYR 87 HA TYR 87 -9.185 5.823 9.138 534 1HB TYR 87 HB1 TYR 87 -7.338 4.969 7.926 535 2HB TYR 87 HB2 TYR 87 -8.280 4.555 6.486 536 HD1 TYR 87 HD2 TYR 87 -8.248 7.890 8.342 537 HD2 TYR 87 HD1 TYR 87 -7.736 5.845 4.595 538 HE1 TYR 87 HE2 TYR 87 -7.424 9.975 7.307 539 HE2 TYR 87 HE1 TYR 87 -6.999 7.944 3.552 540 HH TYR 87 HH TYR 87 -5.820 10.053 4.223 541 H ILE 88 H ILE 88 -10.758 4.402 6.169 542 HA ILE 88 HA ILE 88 -11.523 7.028 5.269 543 HB ILE 88 HB ILE 88 -12.872 4.397 4.474 544 1HG1 ILE 88 HG12 ILE 88 -11.032 5.248 2.392 545 2HG1 ILE 88 HG11 ILE 88 -10.114 5.356 3.898 546 1HG2 ILE 88 HG22 ILE 88 -14.127 6.482 3.844 547 2HG2 ILE 88 HG21 ILE 88 -12.670 7.114 3.025 548 3HG2 ILE 88 HG23 ILE 88 -13.490 5.651 2.403 549 1HD1 ILE 88 HD12 ILE 88 -10.769 2.935 4.384 550 2HD1 ILE 88 HD11 ILE 88 -11.611 2.875 2.821 551 3HD1 ILE 88 HD13 ILE 88 -9.838 3.111 2.882 552 H ARG 89 H ARG 89 -13.143 4.408 7.226 553 HA ARG 89 HA ARG 89 -15.612 5.845 7.440 554 1HB ARG 89 HB2 ARG 89 -14.432 3.915 9.524 555 2HB ARG 89 HB1 ARG 89 -16.119 4.420 9.333 556 1HG ARG 89 HG2 ARG 89 -15.439 3.380 6.738 557 2HG ARG 89 HG1 ARG 89 -14.569 2.316 7.866 558 1HD ARG 89 HD2 ARG 89 -17.590 2.730 7.571 559 2HD ARG 89 HD1 ARG 89 -16.651 1.276 7.430 560 HE ARG 89 HE ARG 89 -16.286 1.019 9.722 561 1HH1 ARG 89 HH11 ARG 89 -18.465 3.891 9.150 562 2HH1 ARG 89 HH12 ARG 89 -19.012 3.846 10.811 563 1HH2 ARG 89 HH21 ARG 89 -17.064 1.117 11.799 564 2HH2 ARG 89 HH22 ARG 89 -18.243 2.338 12.274 565 H ASN 90 H ASN 90 -12.475 6.077 9.204 566 HA ASN 90 HA ASN 90 -13.554 7.841 11.262 567 1HB ASN 90 HB2 ASN 90 -11.542 6.369 11.655 568 2HB ASN 90 HB1 ASN 90 -10.654 7.267 10.403 569 1HD2 ASN 90 HD22 ASN 90 -11.371 9.093 14.069 570 2HD2 ASN 90 HD21 ASN 90 -12.422 7.816 13.574 571 H PHE 91 H PHE 91 -12.289 8.265 7.923 572 HA PHE 91 HA PHE 91 -12.325 11.239 8.376 573 1HB PHE 91 HB2 PHE 91 -10.078 9.591 7.841 574 2HB PHE 91 HB1 PHE 91 -10.497 10.173 6.235 575 HD1 PHE 91 HD1 PHE 91 -9.613 11.081 9.743 576 HD2 PHE 91 HD2 PHE 91 -10.130 12.618 5.753 577 HE1 PHE 91 HE1 PHE 91 -8.371 13.126 10.373 578 HE2 PHE 91 HE2 PHE 91 -8.904 14.675 6.395 579 HZ PHE 91 HZ PHE 91 -8.004 14.924 8.697 580 H GLY 92 H GLY 92 -14.641 9.614 7.662 581 1HA GLY 92 HA1 GLY 92 -15.638 10.949 5.443 582 2HA GLY 92 HA2 GLY 92 -14.792 9.523 4.759 No H/Q in entry = 582 Start of MODEL 8 1 H MET 15 H MET 15 -2.822 9.301 11.005 2 HA MET 15 HA MET 15 -1.716 9.823 8.943 3 1HB MET 15 HB2 MET 15 0.686 9.083 10.682 4 2HB MET 15 HB1 MET 15 0.857 8.953 8.910 5 1HG MET 15 HG2 MET 15 0.016 11.376 8.702 6 2HG MET 15 HG1 MET 15 0.268 11.529 10.466 7 1HE MET 15 HE2 MET 15 2.785 11.156 11.559 8 2HE MET 15 HE1 MET 15 3.041 9.568 10.752 9 3HE MET 15 HE3 MET 15 4.254 10.867 10.569 10 H ALA 16 H ALA 16 -2.251 6.817 10.654 11 HA ALA 16 HA ALA 16 -1.216 5.068 8.727 12 1HB ALA 16 HB3 ALA 16 -2.249 4.216 10.782 13 2HB ALA 16 HB2 ALA 16 -3.864 4.750 10.248 14 3HB ALA 16 HB1 ALA 16 -2.999 3.485 9.344 15 HA PRO 17 HA PRO 17 -4.796 5.871 5.731 16 1HB PRO 17 HB2 PRO 17 -6.178 8.320 5.874 17 2HB PRO 17 HB1 PRO 17 -6.757 6.810 6.591 18 1HG PRO 17 HG2 PRO 17 -5.393 9.131 7.953 19 2HG PRO 17 HG1 PRO 17 -6.610 8.017 8.669 20 1HD PRO 17 HD2 PRO 17 -3.940 7.920 9.235 21 2HD PRO 17 HD1 PRO 17 -5.040 6.500 9.382 22 H ALA 18 H ALA 18 -2.942 8.803 6.928 23 HA ALA 18 HA ALA 18 -2.524 9.886 4.292 24 1HB ALA 18 HB3 ALA 18 -1.847 11.116 6.408 25 2HB ALA 18 HB2 ALA 18 -0.546 9.904 6.655 26 3HB ALA 18 HB1 ALA 18 -0.507 10.977 5.228 27 H LEU 19 H LEU 19 -1.133 7.075 6.112 28 HA LEU 19 HA LEU 19 1.186 6.890 4.476 29 1HB LEU 19 HB2 LEU 19 0.500 5.599 6.787 30 2HB LEU 19 HB1 LEU 19 0.064 4.355 5.584 31 HG LEU 19 HG LEU 19 2.260 3.887 6.413 32 1HD1 LEU 19 HD12 LEU 19 1.933 3.563 3.989 33 2HD1 LEU 19 HD11 LEU 19 2.654 5.165 3.628 34 3HD1 LEU 19 HD13 LEU 19 3.639 3.896 4.387 35 1HD2 LEU 19 HD21 LEU 19 2.875 6.114 7.365 36 2HD2 LEU 19 HD23 LEU 19 4.178 5.379 6.405 37 3HD2 LEU 19 HD22 LEU 19 3.220 6.718 5.717 38 H VAL 20 H VAL 20 -1.894 4.733 4.397 39 HA VAL 20 HA VAL 20 -1.305 3.534 2.049 40 HB VAL 20 HB VAL 20 -3.347 2.966 3.277 41 1HG1 VAL 20 HG12 VAL 20 -4.163 5.270 3.671 42 2HG1 VAL 20 HG11 VAL 20 -4.670 5.439 1.973 43 3HG1 VAL 20 HG13 VAL 20 -5.457 4.233 3.037 44 1HG2 VAL 20 HG21 VAL 20 -3.079 2.177 0.885 45 2HG2 VAL 20 HG23 VAL 20 -4.793 2.401 1.342 46 3HG2 VAL 20 HG22 VAL 20 -3.978 3.622 0.330 47 H ALA 21 H ALA 21 -2.527 6.931 2.436 48 HA ALA 21 HA ALA 21 -3.034 7.289 -0.310 49 1HB ALA 21 HB3 ALA 21 -3.853 8.914 1.394 50 2HB ALA 21 HB2 ALA 21 -2.172 9.456 1.692 51 3HB ALA 21 HB1 ALA 21 -2.928 9.735 0.097 52 H ALA 22 H ALA 22 -0.034 7.758 1.705 53 HA ALA 22 HA ALA 22 1.606 9.078 0.002 54 1HB ALA 22 HB3 ALA 22 2.291 8.140 2.281 55 2HB ALA 22 HB2 ALA 22 2.539 6.550 1.494 56 3HB ALA 22 HB1 ALA 22 3.517 7.962 1.004 57 H PHE 23 H PHE 23 0.523 5.662 -0.646 58 HA PHE 23 HA PHE 23 2.191 5.828 -3.156 59 1HB PHE 23 HB2 PHE 23 3.073 4.321 -1.386 60 2HB PHE 23 HB1 PHE 23 1.677 3.193 -1.695 61 HD1 PHE 23 HD2 PHE 23 2.650 4.404 -4.922 62 HD2 PHE 23 HD1 PHE 23 3.952 1.934 -1.613 63 HE1 PHE 23 HE2 PHE 23 4.246 3.239 -6.372 64 HE2 PHE 23 HE1 PHE 23 5.691 0.953 -3.025 65 HZ PHE 23 HZ PHE 23 5.978 1.753 -5.392 66 H GLY 24 H GLY 24 -0.595 3.863 -1.641 67 1HA GLY 24 HA1 GLY 24 -1.797 3.327 -4.152 68 2HA GLY 24 HA2 GLY 24 -2.634 3.330 -2.574 69 H GLY 25 H GLY 25 -1.780 6.341 -2.169 70 1HA GLY 25 HA1 GLY 25 -4.056 7.426 -3.790 71 2HA GLY 25 HA2 GLY 25 -3.327 8.186 -2.376 72 H LYS 26 H LYS 26 -0.729 7.063 -4.439 73 HA LYS 26 HA LYS 26 -0.131 9.837 -5.188 74 1HB LYS 26 HB2 LYS 26 1.036 7.147 -6.109 75 2HB LYS 26 HB1 LYS 26 1.596 8.728 -6.697 76 1HG LYS 26 HG2 LYS 26 1.519 7.930 -3.748 77 2HG LYS 26 HG1 LYS 26 2.962 7.713 -4.792 78 1HD LYS 26 HD2 LYS 26 2.590 10.344 -5.234 79 2HD LYS 26 HD1 LYS 26 1.747 10.288 -3.663 80 1HE LYS 26 HE2 LYS 26 3.826 9.551 -2.532 81 2HE LYS 26 HE1 LYS 26 4.636 9.259 -4.080 82 1HZ LYS 26 HZ2 LYS 26 4.448 11.739 -4.531 83 2HZ LYS 26 HZ1 LYS 26 3.743 11.928 -2.947 84 3HZ LYS 26 HZ3 LYS 26 5.371 11.352 -3.115 85 H GLU 27 H GLU 27 -2.240 10.441 -6.260 86 HA GLU 27 HA GLU 27 -3.481 8.737 -8.068 87 1HB GLU 27 HB2 GLU 27 -4.956 10.422 -8.612 88 2HB GLU 27 HB1 GLU 27 -4.220 11.196 -7.192 89 1HG GLU 27 HG2 GLU 27 -2.595 12.372 -8.838 90 2HG GLU 27 HG1 GLU 27 -3.572 11.684 -10.170 91 H ASN 28 H ASN 28 -0.539 10.698 -8.604 92 HA ASN 28 HA ASN 28 -0.386 10.797 -11.332 93 1HB ASN 28 HB2 ASN 28 1.473 11.503 -9.728 94 2HB ASN 28 HB1 ASN 28 1.857 9.777 -9.476 95 1HD2 ASN 28 HD22 ASN 28 2.701 11.598 -13.151 96 2HD2 ASN 28 HD21 ASN 28 1.427 12.238 -12.182 97 H ILE 29 H ILE 29 -0.257 7.815 -9.350 98 HA ILE 29 HA ILE 29 0.345 5.710 -10.283 99 HB ILE 29 HB ILE 29 -2.263 6.631 -9.618 100 1HG1 ILE 29 HG12 ILE 29 -2.559 4.011 -9.079 101 2HG1 ILE 29 HG11 ILE 29 -0.814 4.006 -9.386 102 1HG2 ILE 29 HG21 ILE 29 -2.589 4.813 -12.070 103 2HG2 ILE 29 HG23 ILE 29 -3.801 5.052 -10.803 104 3HG2 ILE 29 HG22 ILE 29 -3.197 6.433 -11.749 105 1HD1 ILE 29 HD11 ILE 29 -2.128 5.811 -7.314 106 2HD1 ILE 29 HD13 ILE 29 -1.315 4.263 -6.981 107 3HD1 ILE 29 HD12 ILE 29 -0.367 5.617 -7.632 108 H THR 30 H THR 30 1.098 4.523 -12.073 109 HA THR 30 HA THR 30 0.132 5.381 -14.755 110 HB THR 30 HB THR 30 2.159 6.424 -14.853 111 HG1 THR 30 HG1 THR 30 3.063 3.786 -15.439 112 1HG2 THR 30 HG22 THR 30 3.431 4.361 -12.969 113 2HG2 THR 30 HG21 THR 30 4.274 5.741 -13.715 114 3HG2 THR 30 HG23 THR 30 2.958 6.044 -12.546 115 H ASN 31 H ASN 31 1.878 2.484 -13.143 116 HA ASN 31 HA ASN 31 0.135 0.831 -14.963 117 1HB ASN 31 HB2 ASN 31 2.343 1.386 -16.062 118 2HB ASN 31 HB1 ASN 31 3.186 0.554 -14.736 119 1HD2 ASN 31 HD22 ASN 31 2.162 -2.739 -15.916 120 2HD2 ASN 31 HD21 ASN 31 2.804 -1.896 -14.552 121 H LEU 32 H LEU 32 -1.084 -0.222 -13.180 122 HA LEU 32 HA LEU 32 0.684 -1.338 -10.988 123 1HB LEU 32 HB2 LEU 32 -2.104 -0.244 -10.549 124 2HB LEU 32 HB1 LEU 32 -0.804 -0.504 -9.373 125 HG LEU 32 HG LEU 32 -1.159 1.778 -9.475 126 1HD1 LEU 32 HD11 LEU 32 1.416 1.135 -10.957 127 2HD1 LEU 32 HD13 LEU 32 0.936 2.806 -10.674 128 3HD1 LEU 32 HD12 LEU 32 1.205 1.789 -9.319 129 1HD2 LEU 32 HD21 LEU 32 -2.481 1.969 -11.584 130 2HD2 LEU 32 HD23 LEU 32 -1.218 3.215 -11.478 131 3HD2 LEU 32 HD22 LEU 32 -0.984 1.903 -12.561 132 H ASP 33 H ASP 33 -1.234 -2.885 -9.613 133 HA ASP 33 HA ASP 33 -3.044 -4.065 -11.572 134 1HB ASP 33 HB2 ASP 33 -0.399 -5.060 -11.632 135 2HB ASP 33 HB1 ASP 33 -1.202 -6.185 -10.511 136 H ALA 34 H ALA 34 -4.757 -3.636 -10.005 137 HA ALA 34 HA ALA 34 -4.266 -4.343 -7.229 138 1HB ALA 34 HB3 ALA 34 -5.730 -2.435 -7.741 139 2HB ALA 34 HB2 ALA 34 -6.903 -3.528 -8.540 140 3HB ALA 34 HB1 ALA 34 -6.591 -3.678 -6.783 141 H CYS 35 H CYS 35 -5.422 -6.096 -5.990 142 HA CYS 35 HA CYS 35 -7.150 -7.877 -7.426 143 1HB CYS 35 HB2 CYS 35 -4.423 -8.385 -8.005 144 2HB CYS 35 HB1 CYS 35 -4.762 -9.482 -6.643 145 HG CYS 35 HG CYS 35 -5.254 -10.689 -8.782 146 H ILE 36 H ILE 36 -7.471 -10.019 -6.098 147 HA ILE 36 HA ILE 36 -8.702 -9.404 -3.878 148 HB ILE 36 HB ILE 36 -8.674 -11.697 -3.051 149 1HG1 ILE 36 HG12 ILE 36 -6.645 -12.883 -3.383 150 2HG1 ILE 36 HG11 ILE 36 -7.667 -13.524 -4.625 151 1HG2 ILE 36 HG22 ILE 36 -10.197 -10.911 -4.924 152 2HG2 ILE 36 HG21 ILE 36 -9.090 -11.673 -6.099 153 3HG2 ILE 36 HG23 ILE 36 -9.908 -12.660 -4.875 154 1HD1 ILE 36 HD11 ILE 36 -5.528 -11.348 -5.185 155 2HD1 ILE 36 HD13 ILE 36 -5.339 -13.096 -5.383 156 3HD1 ILE 36 HD12 ILE 36 -6.523 -12.215 -6.386 157 H THR 37 H THR 37 -5.530 -11.033 -2.952 158 HA THR 37 HA THR 37 -5.390 -9.043 -0.711 159 HB THR 37 HB THR 37 -5.688 -11.102 0.414 160 HG1 THR 37 HG1 THR 37 -2.832 -10.952 0.075 161 1HG2 THR 37 HG22 THR 37 -3.920 -12.488 -1.676 162 2HG2 THR 37 HG21 THR 37 -4.371 -13.207 -0.102 163 3HG2 THR 37 HG23 THR 37 -5.646 -12.822 -1.279 164 H ARG 38 H ARG 38 -4.584 -8.780 -3.651 165 HA ARG 38 HA ARG 38 -1.721 -8.384 -3.092 166 1HB ARG 38 HB2 ARG 38 -2.804 -9.815 -5.575 167 2HB ARG 38 HB1 ARG 38 -1.118 -9.468 -5.258 168 1HG ARG 38 HG2 ARG 38 -1.381 -11.019 -3.143 169 2HG ARG 38 HG1 ARG 38 -3.017 -11.368 -3.747 170 1HD ARG 38 HD2 ARG 38 -2.007 -12.136 -5.928 171 2HD ARG 38 HD1 ARG 38 -0.369 -11.990 -5.184 172 HE ARG 38 HE ARG 38 -1.946 -13.590 -3.436 173 1HH1 ARG 38 HH11 ARG 38 -0.694 -13.778 -6.811 174 2HH1 ARG 38 HH12 ARG 38 -0.781 -15.534 -6.819 175 1HH2 ARG 38 HH21 ARG 38 -2.009 -15.833 -3.538 176 2HH2 ARG 38 HH22 ARG 38 -1.493 -16.684 -4.996 177 H LEU 39 H LEU 39 -1.345 -6.189 -3.614 178 HA LEU 39 HA LEU 39 -2.528 -5.336 -6.169 179 1HB LEU 39 HB2 LEU 39 -3.379 -3.141 -5.281 180 2HB LEU 39 HB1 LEU 39 -4.228 -4.539 -4.612 181 HG LEU 39 HG LEU 39 -2.219 -4.172 -2.744 182 1HD1 LEU 39 HD12 LEU 39 -1.522 -1.972 -3.769 183 2HD1 LEU 39 HD11 LEU 39 -3.168 -1.337 -3.480 184 3HD1 LEU 39 HD13 LEU 39 -2.131 -1.796 -2.098 185 1HD2 LEU 39 HD22 LEU 39 -5.087 -3.032 -2.764 186 2HD2 LEU 39 HD21 LEU 39 -4.566 -4.638 -2.160 187 3HD2 LEU 39 HD23 LEU 39 -4.106 -3.152 -1.286 188 H ARG 40 H ARG 40 -0.924 -4.342 -7.424 189 HA ARG 40 HA ARG 40 1.572 -3.708 -5.900 190 1HB ARG 40 HB2 ARG 40 2.474 -3.942 -8.425 191 2HB ARG 40 HB1 ARG 40 2.321 -5.356 -7.303 192 1HG ARG 40 HG2 ARG 40 0.256 -4.858 -9.322 193 2HG ARG 40 HG1 ARG 40 1.745 -5.746 -9.670 194 1HD ARG 40 HD2 ARG 40 0.819 -7.036 -7.245 195 2HD ARG 40 HD1 ARG 40 -0.572 -6.788 -8.230 196 HE ARG 40 HE ARG 40 0.251 -8.001 -10.075 197 1HH1 ARG 40 HH11 ARG 40 2.627 -8.218 -7.337 198 2HH1 ARG 40 HH12 ARG 40 3.388 -9.623 -8.052 199 1HH2 ARG 40 HH21 ARG 40 1.346 -9.750 -10.885 200 2HH2 ARG 40 HH22 ARG 40 2.697 -10.460 -10.010 201 H VAL 41 H VAL 41 3.004 -1.927 -6.864 202 HA VAL 41 HA VAL 41 1.217 0.046 -8.062 203 HB VAL 41 HB VAL 41 2.685 0.816 -5.508 204 1HG1 VAL 41 HG11 VAL 41 0.246 2.060 -7.023 205 2HG1 VAL 41 HG13 VAL 41 0.951 2.674 -5.514 206 3HG1 VAL 41 HG12 VAL 41 1.893 2.726 -7.018 207 1HG2 VAL 41 HG21 VAL 41 1.131 -0.959 -4.829 208 2HG2 VAL 41 HG23 VAL 41 0.627 0.626 -4.213 209 3HG2 VAL 41 HG22 VAL 41 -0.221 -0.079 -5.617 210 H SER 42 H SER 42 2.941 -0.402 -9.917 211 HA SER 42 HA SER 42 5.637 0.649 -9.443 212 1HB SER 42 HB2 SER 42 5.347 -1.069 -11.207 213 2HB SER 42 HB1 SER 42 4.188 -0.059 -12.069 214 HG SER 42 HG SER 42 5.904 1.432 -12.530 215 H VAL 43 H VAL 43 6.032 2.904 -9.092 216 HA VAL 43 HA VAL 43 4.963 4.650 -11.218 217 HB VAL 43 HB VAL 43 4.138 6.370 -9.706 218 1HG1 VAL 43 HG12 VAL 43 2.536 4.557 -10.201 219 2HG1 VAL 43 HG11 VAL 43 3.067 3.646 -8.770 220 3HG1 VAL 43 HG13 VAL 43 2.236 5.218 -8.572 221 1HG2 VAL 43 HG22 VAL 43 5.443 4.704 -7.506 222 2HG2 VAL 43 HG21 VAL 43 5.699 6.399 -7.835 223 3HG2 VAL 43 HG23 VAL 43 4.158 5.894 -7.115 224 H ALA 44 H ALA 44 6.000 6.834 -11.292 225 HA ALA 44 HA ALA 44 8.843 6.621 -10.450 226 1HB ALA 44 HB3 ALA 44 8.321 7.374 -12.770 227 2HB ALA 44 HB2 ALA 44 7.409 8.772 -12.120 228 3HB ALA 44 HB1 ALA 44 9.170 8.637 -11.827 229 H ASP 45 H ASP 45 5.801 8.231 -9.318 230 HA ASP 45 HA ASP 45 7.088 10.261 -7.766 231 1HB ASP 45 HB2 ASP 45 4.598 8.619 -7.034 232 2HB ASP 45 HB1 ASP 45 5.198 10.093 -6.220 233 H VAL 46 H VAL 46 9.191 9.059 -7.236 234 HA VAL 46 HA VAL 46 8.795 7.154 -4.958 235 HB VAL 46 HB VAL 46 10.100 6.146 -6.688 236 1HG1 VAL 46 HG11 VAL 46 12.135 8.452 -6.454 237 2HG1 VAL 46 HG13 VAL 46 12.412 6.890 -7.258 238 3HG1 VAL 46 HG12 VAL 46 11.162 7.984 -7.878 239 1HG2 VAL 46 HG21 VAL 46 10.566 5.633 -4.265 240 2HG2 VAL 46 HG23 VAL 46 12.009 5.423 -5.288 241 3HG2 VAL 46 HG22 VAL 46 11.863 6.859 -4.247 242 H SER 47 H SER 47 7.930 9.424 -4.088 243 HA SER 47 HA SER 47 10.285 11.034 -3.091 244 1HB SER 47 HB2 SER 47 9.150 12.018 -5.098 245 2HB SER 47 HB1 SER 47 7.614 12.030 -4.198 246 HG SER 47 HG SER 47 9.977 13.487 -3.413 247 H LYS 48 H LYS 48 10.235 10.222 -0.883 248 HA LYS 48 HA LYS 48 9.347 9.830 1.202 249 1HB LYS 48 HB2 LYS 48 7.510 12.240 0.762 250 2HB LYS 48 HB1 LYS 48 8.185 11.592 2.276 251 1HG LYS 48 HG2 LYS 48 9.332 13.655 1.713 252 2HG LYS 48 HG1 LYS 48 10.501 12.331 1.510 253 1HD LYS 48 HD2 LYS 48 10.598 12.632 -0.847 254 2HD LYS 48 HD1 LYS 48 8.899 13.176 -0.955 255 1HE LYS 48 HE2 LYS 48 10.916 15.009 0.375 256 2HE LYS 48 HE1 LYS 48 10.862 14.900 -1.402 257 1HZ LYS 48 HZ1 LYS 48 8.422 15.516 0.274 258 2HZ LYS 48 HZ3 LYS 48 9.401 16.701 -0.563 259 3HZ LYS 48 HZ2 LYS 48 8.538 15.504 -1.465 260 H VAL 49 H VAL 49 8.406 8.218 -0.667 261 HA VAL 49 HA VAL 49 5.449 8.175 -0.577 262 HB VAL 49 HB VAL 49 6.171 7.651 -2.706 263 1HG1 VAL 49 HG11 VAL 49 8.402 5.981 -1.488 264 2HG1 VAL 49 HG13 VAL 49 7.853 5.661 -3.165 265 3HG1 VAL 49 HG12 VAL 49 8.458 7.261 -2.701 266 1HG2 VAL 49 HG21 VAL 49 4.427 6.129 -1.890 267 2HG2 VAL 49 HG23 VAL 49 5.420 5.343 -3.135 268 3HG2 VAL 49 HG22 VAL 49 5.618 4.908 -1.418 269 H ASP 50 H ASP 50 8.117 7.051 1.463 270 HA ASP 50 HA ASP 50 8.042 5.610 3.273 271 1HB ASP 50 HB2 ASP 50 5.818 7.497 3.331 272 2HB ASP 50 HB1 ASP 50 5.220 5.971 3.990 273 H GLN 51 H GLN 51 8.345 4.159 1.270 274 HA GLN 51 HA GLN 51 6.108 2.305 0.789 275 1HB GLN 51 HB2 GLN 51 9.097 2.005 0.127 276 2HB GLN 51 HB1 GLN 51 7.790 0.976 -0.518 277 1HG GLN 51 HG2 GLN 51 6.888 2.769 -1.866 278 2HG GLN 51 HG1 GLN 51 7.669 3.989 -0.891 279 1HE2 GLN 51 HE22 GLN 51 9.836 2.300 -3.930 280 2HE2 GLN 51 HE21 GLN 51 8.379 1.526 -3.407 281 H ALA 52 H ALA 52 9.275 2.412 2.628 282 HA ALA 52 HA ALA 52 9.105 -0.126 3.764 283 1HB ALA 52 HB3 ALA 52 11.121 1.330 3.990 284 2HB ALA 52 HB2 ALA 52 10.205 2.442 5.055 285 3HB ALA 52 HB1 ALA 52 10.554 0.767 5.592 286 H GLY 53 H GLY 53 7.191 2.845 4.537 287 1HA GLY 53 HA1 GLY 53 6.015 1.547 6.925 288 2HA GLY 53 HA2 GLY 53 5.464 3.053 6.156 289 H LEU 54 H LEU 54 5.167 2.138 3.407 290 HA LEU 54 HA LEU 54 2.501 1.293 3.911 291 1HB LEU 54 HB2 LEU 54 3.494 2.756 1.979 292 2HB LEU 54 HB1 LEU 54 3.581 1.249 1.060 293 HG LEU 54 HG LEU 54 0.893 1.890 2.394 294 1HD1 LEU 54 HD11 LEU 54 2.129 3.798 0.464 295 2HD1 LEU 54 HD13 LEU 54 0.366 3.537 0.469 296 3HD1 LEU 54 HD12 LEU 54 1.249 4.095 1.899 297 1HD2 LEU 54 HD22 LEU 54 1.577 1.028 -0.477 298 2HD2 LEU 54 HD21 LEU 54 1.068 -0.085 0.816 299 3HD2 LEU 54 HD23 LEU 54 -0.056 1.154 0.227 300 H LYS 55 H LYS 55 5.370 -0.667 3.512 301 HA LYS 55 HA LYS 55 3.817 -2.852 2.430 302 1HB LYS 55 HB2 LYS 55 5.708 -4.174 2.399 303 2HB LYS 55 HB1 LYS 55 6.483 -2.564 2.321 304 1HG LYS 55 HG2 LYS 55 6.156 -4.326 4.866 305 2HG LYS 55 HG1 LYS 55 7.473 -4.503 3.736 306 1HD LYS 55 HD2 LYS 55 7.356 -1.684 4.329 307 2HD LYS 55 HD1 LYS 55 7.293 -2.555 5.873 308 1HE LYS 55 HE2 LYS 55 9.600 -2.026 5.261 309 2HE LYS 55 HE1 LYS 55 9.401 -3.794 5.275 310 1HZ LYS 55 HZ1 LYS 55 9.168 -2.236 2.686 311 2HZ LYS 55 HZ3 LYS 55 10.699 -2.730 3.315 312 3HZ LYS 55 HZ2 LYS 55 9.565 -3.937 2.919 313 H LYS 56 H LYS 56 4.954 -1.926 5.619 314 HA LYS 56 HA LYS 56 3.781 -4.397 6.764 315 1HB LYS 56 HB2 LYS 56 4.744 -3.708 8.883 316 2HB LYS 56 HB1 LYS 56 5.958 -3.684 7.580 317 1HG LYS 56 HG2 LYS 56 5.630 -1.078 7.485 318 2HG LYS 56 HG1 LYS 56 4.583 -1.255 8.907 319 1HD LYS 56 HD2 LYS 56 7.566 -2.063 8.655 320 2HD LYS 56 HD1 LYS 56 6.954 -0.544 9.359 321 1HE LYS 56 HE2 LYS 56 5.637 -1.959 11.065 322 2HE LYS 56 HE1 LYS 56 6.543 -3.382 10.469 323 1HZ LYS 56 HZ2 LYS 56 8.662 -2.215 11.039 324 2HZ LYS 56 HZ1 LYS 56 7.755 -0.858 11.656 325 3HZ LYS 56 HZ3 LYS 56 7.635 -2.405 12.436 326 H LEU 57 H LEU 57 3.179 -0.840 6.763 327 HA LEU 57 HA LEU 57 0.859 -1.258 8.521 328 1HB LEU 57 HB2 LEU 57 2.477 0.552 8.903 329 2HB LEU 57 HB1 LEU 57 2.134 1.279 7.309 330 HG LEU 57 HG LEU 57 1.101 2.371 9.408 331 1HD1 LEU 57 HD11 LEU 57 -0.380 1.778 6.782 332 2HD1 LEU 57 HD13 LEU 57 -1.282 2.560 8.093 333 3HD1 LEU 57 HD12 LEU 57 0.230 3.269 7.527 334 1HD2 LEU 57 HD21 LEU 57 0.316 0.277 10.550 335 2HD2 LEU 57 HD23 LEU 57 -0.985 1.484 10.325 336 3HD2 LEU 57 HD22 LEU 57 -0.864 0.084 9.217 337 H GLY 58 H GLY 58 1.588 -0.487 5.046 338 1HA GLY 58 HA1 GLY 58 -1.236 0.155 4.504 339 2HA GLY 58 HA2 GLY 58 0.077 0.075 3.334 340 H ALA 59 H ALA 59 1.226 -2.396 3.585 341 HA ALA 59 HA ALA 59 -1.037 -4.237 2.926 342 1HB ALA 59 HB3 ALA 59 0.073 -3.152 0.903 343 2HB ALA 59 HB2 ALA 59 1.634 -3.846 1.437 344 3HB ALA 59 HB1 ALA 59 0.306 -4.918 0.902 345 H ALA 60 H ALA 60 1.086 -6.410 2.463 346 HA ALA 60 HA ALA 60 2.588 -6.456 4.963 347 1HB ALA 60 HB2 ALA 60 0.262 -8.480 4.771 348 2HB ALA 60 HB1 ALA 60 1.607 -8.507 5.940 349 3HB ALA 60 HB3 ALA 60 0.428 -7.172 5.964 350 H GLY 61 H GLY 61 3.789 -6.325 2.718 351 1HA GLY 61 HA1 GLY 61 5.610 -8.135 2.406 352 2HA GLY 61 HA2 GLY 61 4.291 -9.120 1.737 353 H VAL 62 H VAL 62 6.234 -6.108 1.151 354 HA VAL 62 HA VAL 62 5.168 -6.199 -1.655 355 HB VAL 62 HB VAL 62 5.184 -3.797 -1.782 356 1HG1 VAL 62 HG11 VAL 62 4.116 -4.522 0.950 357 2HG1 VAL 62 HG13 VAL 62 3.969 -2.880 0.191 358 3HG1 VAL 62 HG12 VAL 62 3.203 -4.302 -0.478 359 1HG2 VAL 62 HG22 VAL 62 7.160 -3.793 0.504 360 2HG2 VAL 62 HG21 VAL 62 7.338 -3.229 -1.160 361 3HG2 VAL 62 HG23 VAL 62 6.305 -2.310 -0.057 362 H VAL 63 H VAL 63 6.870 -5.009 -3.156 363 HA VAL 63 HA VAL 63 9.607 -5.631 -2.249 364 HB VAL 63 HB VAL 63 9.574 -7.759 -3.053 365 1HG1 VAL 63 HG11 VAL 63 6.979 -7.097 -4.525 366 2HG1 VAL 63 HG13 VAL 63 7.741 -8.704 -4.565 367 3HG1 VAL 63 HG12 VAL 63 7.182 -8.016 -3.018 368 1HG2 VAL 63 HG21 VAL 63 10.842 -6.626 -4.856 369 2HG2 VAL 63 HG23 VAL 63 9.987 -8.079 -5.462 370 3HG2 VAL 63 HG22 VAL 63 9.348 -6.458 -5.825 371 H VAL 64 H VAL 64 11.051 -4.107 -3.144 372 HA VAL 64 HA VAL 64 9.739 -2.234 -5.059 373 HB VAL 64 HB VAL 64 12.119 -1.856 -3.194 374 1HG1 VAL 64 HG12 VAL 64 12.177 -0.358 -5.223 375 2HG1 VAL 64 HG11 VAL 64 10.529 0.207 -4.832 376 3HG1 VAL 64 HG13 VAL 64 11.875 0.577 -3.730 377 1HG2 VAL 64 HG22 VAL 64 9.187 -0.929 -2.902 378 2HG2 VAL 64 HG21 VAL 64 10.010 -2.148 -1.891 379 3HG2 VAL 64 HG23 VAL 64 10.535 -0.443 -1.838 380 H ALA 65 H ALA 65 10.756 -1.874 -7.147 381 HA ALA 65 HA ALA 65 13.419 -3.154 -7.643 382 1HB ALA 65 HB2 ALA 65 10.794 -3.874 -9.086 383 2HB ALA 65 HB1 ALA 65 12.427 -4.427 -9.562 384 3HB ALA 65 HB3 ALA 65 11.717 -4.953 -8.007 385 H GLY 66 H GLY 66 14.140 -0.848 -7.962 386 1HA GLY 66 HA1 GLY 66 13.129 1.214 -9.172 387 2HA GLY 66 HA2 GLY 66 14.744 0.681 -9.684 388 H SER 67 H SER 67 11.736 1.584 -10.988 389 HA SER 67 HA SER 67 11.271 1.354 -13.351 390 1HB SER 67 HB2 SER 67 11.341 -0.762 -14.538 391 2HB SER 67 HB1 SER 67 12.991 -0.384 -13.974 392 HG SER 67 HG SER 67 12.333 -2.624 -13.481 393 H GLY 68 H GLY 68 10.503 -0.458 -10.369 394 1HA GLY 68 HA1 GLY 68 7.826 0.093 -10.604 395 2HA GLY 68 HA2 GLY 68 8.012 -1.545 -11.328 396 H VAL 69 H VAL 69 6.446 -1.477 -9.153 397 HA VAL 69 HA VAL 69 8.114 -2.578 -6.948 398 HB VAL 69 HB VAL 69 6.074 -0.279 -6.689 399 1HG1 VAL 69 HG11 VAL 69 7.526 -1.974 -4.559 400 2HG1 VAL 69 HG13 VAL 69 7.105 -0.314 -4.216 401 3HG1 VAL 69 HG12 VAL 69 5.830 -1.466 -4.662 402 1HG2 VAL 69 HG22 VAL 69 9.113 -0.238 -6.593 403 2HG2 VAL 69 HG21 VAL 69 7.995 0.723 -7.596 404 3HG2 VAL 69 HG23 VAL 69 8.155 1.062 -5.860 405 H GLN 70 H GLN 70 6.725 -4.033 -5.579 406 HA GLN 70 HA GLN 70 4.048 -4.248 -6.755 407 1HB GLN 70 HB2 GLN 70 4.974 -6.744 -5.519 408 2HB GLN 70 HB1 GLN 70 4.224 -6.558 -7.114 409 1HG GLN 70 HG2 GLN 70 6.309 -5.821 -8.138 410 2HG GLN 70 HG1 GLN 70 7.203 -6.087 -6.635 411 1HE2 GLN 70 HE22 GLN 70 6.316 -9.858 -7.322 412 2HE2 GLN 70 HE21 GLN 70 5.477 -8.848 -6.224 413 H ALA 71 H ALA 71 2.612 -5.709 -5.044 414 HA ALA 71 HA ALA 71 3.407 -5.124 -2.498 415 1HB ALA 71 HB2 ALA 71 1.603 -2.953 -3.592 416 2HB ALA 71 HB1 ALA 71 1.271 -3.501 -1.928 417 3HB ALA 71 HB3 ALA 71 2.861 -2.829 -2.396 418 H ILE 72 H ILE 72 2.500 -6.509 -0.970 419 HA ILE 72 HA ILE 72 0.120 -7.930 -1.879 420 HB ILE 72 HB ILE 72 2.959 -8.828 -2.252 421 1HG1 ILE 72 HG12 ILE 72 1.382 -10.842 -3.431 422 2HG1 ILE 72 HG11 ILE 72 0.348 -9.430 -3.508 423 1HG2 ILE 72 HG22 ILE 72 2.626 -10.032 -0.109 424 2HG2 ILE 72 HG21 ILE 72 1.150 -10.813 -0.773 425 3HG2 ILE 72 HG23 ILE 72 2.760 -11.144 -1.484 426 1HD1 ILE 72 HD12 ILE 72 2.193 -8.139 -4.700 427 2HD1 ILE 72 HD11 ILE 72 3.205 -9.609 -4.625 428 3HD1 ILE 72 HD13 ILE 72 1.677 -9.622 -5.554 429 H PHE 73 H PHE 73 -0.820 -9.344 -0.220 430 HA PHE 73 HA PHE 73 0.136 -8.434 2.500 431 1HB PHE 73 HB2 PHE 73 -2.727 -8.973 1.582 432 2HB PHE 73 HB1 PHE 73 -2.091 -8.680 3.223 433 HD1 PHE 73 HD2 PHE 73 -1.649 -6.951 -0.248 434 HD2 PHE 73 HD1 PHE 73 -2.833 -6.503 3.832 435 HE1 PHE 73 HE2 PHE 73 -2.049 -4.526 -0.546 436 HE2 PHE 73 HE1 PHE 73 -4.069 -4.412 3.228 437 HZ PHE 73 HZ PHE 73 -3.527 -3.324 1.061 438 H GLY 74 H GLY 74 1.653 -10.306 2.045 439 1HA GLY 74 HA1 GLY 74 1.138 -12.744 1.161 440 2HA GLY 74 HA2 GLY 74 2.159 -12.550 2.600 441 H THR 75 H THR 75 1.174 -12.702 4.804 442 HA THR 75 HA THR 75 -1.452 -14.200 4.734 443 HB THR 75 HB THR 75 -0.490 -15.667 6.543 444 HG1 THR 75 HG1 THR 75 1.332 -14.306 7.100 445 1HG2 THR 75 HG22 THR 75 1.015 -15.701 3.862 446 2HG2 THR 75 HG21 THR 75 0.922 -17.077 4.996 447 3HG2 THR 75 HG23 THR 75 -0.562 -16.502 4.179 448 H LYS 76 H LYS 76 -0.964 -11.288 5.153 449 HA LYS 76 HA LYS 76 -2.598 -11.285 7.622 450 1HB LYS 76 HB2 LYS 76 -0.087 -9.525 7.350 451 2HB LYS 76 HB1 LYS 76 -1.426 -9.262 8.492 452 1HG LYS 76 HG2 LYS 76 -0.008 -10.346 9.930 453 2HG LYS 76 HG1 LYS 76 -1.000 -11.677 9.352 454 1HD LYS 76 HD2 LYS 76 1.098 -12.673 9.042 455 2HD LYS 76 HD1 LYS 76 1.033 -11.804 7.489 456 1HE LYS 76 HE2 LYS 76 3.216 -11.384 8.427 457 2HE LYS 76 HE1 LYS 76 2.311 -9.863 8.648 458 1HZ LYS 76 HZ1 LYS 76 2.749 -12.010 10.772 459 2HZ LYS 76 HZ3 LYS 76 3.660 -10.550 10.627 460 3HZ LYS 76 HZ2 LYS 76 1.989 -10.476 11.051 461 H SER 77 H SER 77 -3.624 -11.252 5.099 462 HA SER 77 HA SER 77 -4.011 -8.416 4.356 463 1HB SER 77 HB2 SER 77 -4.166 -10.576 2.826 464 2HB SER 77 HB1 SER 77 -5.864 -10.608 3.349 465 HG SER 77 HG SER 77 -5.953 -8.330 2.575 466 H ASP 78 H ASP 78 -5.839 -11.087 6.055 467 HA ASP 78 HA ASP 78 -8.200 -9.536 6.252 468 1HB ASP 78 HB2 ASP 78 -7.966 -12.036 6.710 469 2HB ASP 78 HB1 ASP 78 -7.268 -11.627 8.300 470 H ASN 79 H ASN 79 -5.348 -9.932 8.533 471 HA ASN 79 HA ASN 79 -6.417 -8.178 10.509 472 1HB ASN 79 HB2 ASN 79 -4.460 -9.630 11.007 473 2HB ASN 79 HB1 ASN 79 -3.465 -8.749 9.827 474 1HD2 ASN 79 HD22 ASN 79 -2.621 -6.249 12.266 475 2HD2 ASN 79 HD21 ASN 79 -2.185 -7.025 10.790 476 H LEU 80 H LEU 80 -4.091 -7.522 7.767 477 HA LEU 80 HA LEU 80 -3.855 -4.754 8.294 478 1HB LEU 80 HB2 LEU 80 -3.569 -6.394 5.876 479 2HB LEU 80 HB1 LEU 80 -3.705 -4.652 5.609 480 HG LEU 80 HG LEU 80 -1.368 -5.599 5.786 481 1HD1 LEU 80 HD11 LEU 80 -2.233 -3.114 7.405 482 2HD1 LEU 80 HD13 LEU 80 -0.538 -3.449 6.969 483 3HD1 LEU 80 HD12 LEU 80 -1.751 -3.194 5.697 484 1HD2 LEU 80 HD21 LEU 80 -1.693 -6.871 8.036 485 2HD2 LEU 80 HD23 LEU 80 -0.268 -5.805 7.977 486 3HD2 LEU 80 HD22 LEU 80 -1.713 -5.289 8.854 487 H LYS 81 H LYS 81 -6.355 -6.550 6.324 488 HA LYS 81 HA LYS 81 -7.673 -4.296 5.328 489 1HB LYS 81 HB2 LYS 81 -8.492 -7.117 5.710 490 2HB LYS 81 HB1 LYS 81 -9.878 -6.054 5.968 491 1HG LYS 81 HG2 LYS 81 -9.425 -4.913 3.767 492 2HG LYS 81 HG1 LYS 81 -8.159 -6.136 3.443 493 1HD LYS 81 HD2 LYS 81 -11.193 -6.612 3.849 494 2HD LYS 81 HD1 LYS 81 -10.254 -6.807 2.345 495 1HE LYS 81 HE2 LYS 81 -8.909 -8.657 3.559 496 2HE LYS 81 HE1 LYS 81 -10.109 -8.542 4.882 497 1HZ LYS 81 HZ2 LYS 81 -11.919 -9.081 3.282 498 2HZ LYS 81 HZ1 LYS 81 -10.749 -9.268 2.011 499 3HZ LYS 81 HZ3 LYS 81 -10.729 -10.341 3.370 500 H THR 82 H THR 82 -7.959 -5.786 8.619 501 HA THR 82 HA THR 82 -10.396 -4.356 9.232 502 HB THR 82 HB THR 82 -9.859 -4.920 11.631 503 HG1 THR 82 HG1 THR 82 -7.832 -6.032 11.986 504 1HG2 THR 82 HG22 THR 82 -9.794 -7.069 9.424 505 2HG2 THR 82 HG21 THR 82 -9.487 -7.559 11.108 506 3HG2 THR 82 HG23 THR 82 -11.019 -6.747 10.670 507 H GLU 83 H GLU 83 -6.997 -3.896 10.476 508 HA GLU 83 HA GLU 83 -7.398 -1.285 11.363 509 1HB GLU 83 HB2 GLU 83 -4.983 -0.965 11.333 510 2HB GLU 83 HB1 GLU 83 -5.380 -2.593 11.909 511 1HG GLU 83 HG2 GLU 83 -4.957 -3.510 9.673 512 2HG GLU 83 HG1 GLU 83 -4.432 -1.952 9.023 513 H MET 84 H MET 84 -6.834 -2.328 7.873 514 HA MET 84 HA MET 84 -6.315 0.337 6.990 515 1HB MET 84 HB2 MET 84 -7.722 -1.812 5.305 516 2HB MET 84 HB1 MET 84 -7.092 -0.237 4.775 517 1HG MET 84 HG2 MET 84 -4.780 -1.376 5.921 518 2HG MET 84 HG1 MET 84 -5.605 -2.798 5.223 519 1HE MET 84 HE1 MET 84 -3.594 0.337 4.636 520 2HE MET 84 HE3 MET 84 -3.596 0.541 2.859 521 3HE MET 84 HE2 MET 84 -5.014 1.069 3.833 522 H ASP 85 H ASP 85 -9.360 -1.660 7.370 523 HA ASP 85 HA ASP 85 -11.170 0.185 6.428 524 1HB ASP 85 HB2 ASP 85 -11.819 -2.096 7.236 525 2HB ASP 85 HB1 ASP 85 -11.656 -1.535 8.922 526 H GLU 86 H GLU 86 -9.768 -0.038 9.805 527 HA GLU 86 HA GLU 86 -11.084 2.190 10.856 528 1HB GLU 86 HB2 GLU 86 -8.365 0.959 11.471 529 2HB GLU 86 HB1 GLU 86 -8.712 2.545 12.160 530 1HG GLU 86 HG2 GLU 86 -10.697 0.235 12.515 531 2HG GLU 86 HG1 GLU 86 -9.327 0.500 13.625 532 H TYR 87 H TYR 87 -8.117 2.160 8.734 533 HA TYR 87 HA TYR 87 -7.475 4.879 9.328 534 1HB TYR 87 HB1 TYR 87 -6.871 3.531 6.651 535 2HB TYR 87 HB2 TYR 87 -5.958 4.837 7.461 536 HD1 TYR 87 HD2 TYR 87 -6.237 3.217 10.328 537 HD2 TYR 87 HD1 TYR 87 -4.579 2.517 6.392 538 HE1 TYR 87 HE2 TYR 87 -4.783 1.500 11.257 539 HE2 TYR 87 HE1 TYR 87 -3.186 0.697 7.337 540 HH TYR 87 HH TYR 87 -2.902 0.030 10.778 541 H ILE 88 H ILE 88 -9.448 3.450 6.593 542 HA ILE 88 HA ILE 88 -9.877 6.049 5.430 543 HB ILE 88 HB ILE 88 -11.820 3.701 5.151 544 1HG1 ILE 88 HG12 ILE 88 -10.108 3.761 2.819 545 2HG1 ILE 88 HG11 ILE 88 -9.000 3.878 4.193 546 1HG2 ILE 88 HG22 ILE 88 -12.624 5.920 4.310 547 2HG2 ILE 88 HG21 ILE 88 -11.175 6.055 3.272 548 3HG2 ILE 88 HG23 ILE 88 -12.378 4.766 2.976 549 1HD1 ILE 88 HD12 ILE 88 -10.208 1.819 5.170 550 2HD1 ILE 88 HD11 ILE 88 -11.121 1.686 3.658 551 3HD1 ILE 88 HD13 ILE 88 -9.339 1.492 3.657 552 H ARG 89 H ARG 89 -11.711 3.993 7.812 553 HA ARG 89 HA ARG 89 -13.895 5.825 8.093 554 1HB ARG 89 HB2 ARG 89 -12.672 3.814 10.090 555 2HB ARG 89 HB1 ARG 89 -14.172 4.723 10.389 556 1HG ARG 89 HG2 ARG 89 -15.286 3.710 8.457 557 2HG ARG 89 HG1 ARG 89 -13.807 2.865 7.938 558 1HD ARG 89 HD2 ARG 89 -13.861 1.430 9.956 559 2HD ARG 89 HD1 ARG 89 -15.202 2.442 10.616 560 HE ARG 89 HE ARG 89 -15.856 1.306 7.998 561 1HH1 ARG 89 HH11 ARG 89 -15.662 0.424 11.490 562 2HH1 ARG 89 HH12 ARG 89 -17.004 -0.702 11.346 563 1HH2 ARG 89 HH21 ARG 89 -17.528 -0.177 7.910 564 2HH2 ARG 89 HH22 ARG 89 -18.024 -1.065 9.352 565 H ASN 90 H ASN 90 -10.589 5.786 9.502 566 HA ASN 90 HA ASN 90 -11.168 7.928 11.389 567 1HB ASN 90 HB2 ASN 90 -9.342 6.260 11.767 568 2HB ASN 90 HB1 ASN 90 -8.502 6.851 10.310 569 1HD2 ASN 90 HD22 ASN 90 -6.554 8.733 12.612 570 2HD2 ASN 90 HD21 ASN 90 -6.568 7.366 11.566 571 H PHE 91 H PHE 91 -10.451 7.841 7.899 572 HA PHE 91 HA PHE 91 -10.047 10.832 7.979 573 1HB PHE 91 HB2 PHE 91 -8.185 8.809 7.310 574 2HB PHE 91 HB1 PHE 91 -8.718 9.337 5.738 575 HD1 PHE 91 HD2 PHE 91 -7.519 10.607 9.098 576 HD2 PHE 91 HD1 PHE 91 -7.680 11.379 4.864 577 HE1 PHE 91 HE2 PHE 91 -5.777 12.352 9.348 578 HE2 PHE 91 HE1 PHE 91 -5.965 13.145 5.124 579 HZ PHE 91 HZ PHE 91 -4.980 13.609 7.357 580 H GLY 92 H GLY 92 -12.603 9.289 7.639 581 1HA GLY 92 HA1 GLY 92 -13.735 10.580 5.472 582 2HA GLY 92 HA2 GLY 92 -13.021 9.100 4.754 No H/Q in entry = 582 Start of MODEL 9 1 H MET 15 H MET 15 -2.734 6.139 11.351 2 HA MET 15 HA MET 15 -1.750 7.336 9.585 3 1HB MET 15 HB2 MET 15 0.681 5.780 10.534 4 2HB MET 15 HB1 MET 15 0.690 6.396 8.865 5 1HG MET 15 HG2 MET 15 0.234 8.710 9.593 6 2HG MET 15 HG1 MET 15 0.152 8.171 11.303 7 1HE MET 15 HE2 MET 15 1.875 10.513 10.644 8 2HE MET 15 HE1 MET 15 2.049 9.705 12.239 9 3HE MET 15 HE3 MET 15 3.507 10.128 11.283 10 H ALA 16 H ALA 16 -2.699 3.977 9.724 11 HA ALA 16 HA ALA 16 -1.891 3.326 7.107 12 1HB ALA 16 HB3 ALA 16 -3.133 1.753 8.782 13 2HB ALA 16 HB2 ALA 16 -4.632 2.461 8.080 14 3HB ALA 16 HB1 ALA 16 -3.475 1.584 7.045 15 HA PRO 17 HA PRO 17 -5.503 5.372 5.044 16 1HB PRO 17 HB2 PRO 17 -6.881 7.422 6.064 17 2HB PRO 17 HB1 PRO 17 -7.062 5.745 6.666 18 1HG PRO 17 HG2 PRO 17 -5.577 7.964 8.056 19 2HG PRO 17 HG1 PRO 17 -6.618 6.702 8.770 20 1HD PRO 17 HD2 PRO 17 -3.827 6.624 8.605 21 2HD PRO 17 HD1 PRO 17 -4.748 5.169 8.931 22 H ALA 18 H ALA 18 -3.543 7.985 6.843 23 HA ALA 18 HA ALA 18 -3.078 9.520 4.464 24 1HB ALA 18 HB3 ALA 18 -2.640 10.407 6.788 25 2HB ALA 18 HB2 ALA 18 -1.344 9.189 7.007 26 3HB ALA 18 HB1 ALA 18 -1.163 10.476 5.774 27 H LEU 19 H LEU 19 -1.499 6.626 6.052 28 HA LEU 19 HA LEU 19 0.838 6.931 4.473 29 1HB LEU 19 HB2 LEU 19 0.646 5.542 6.696 30 2HB LEU 19 HB1 LEU 19 0.087 4.217 5.654 31 HG LEU 19 HG LEU 19 2.395 3.815 5.879 32 1HD1 LEU 19 HD12 LEU 19 1.855 4.098 3.493 33 2HD1 LEU 19 HD11 LEU 19 2.513 5.770 3.483 34 3HD1 LEU 19 HD13 LEU 19 3.569 4.418 3.860 35 1HD2 LEU 19 HD22 LEU 19 2.987 6.840 5.876 36 2HD2 LEU 19 HD21 LEU 19 2.988 5.758 7.304 37 3HD2 LEU 19 HD23 LEU 19 4.191 5.528 6.017 38 H VAL 20 H VAL 20 -1.970 4.455 4.314 39 HA VAL 20 HA VAL 20 -1.240 3.359 1.915 40 HB VAL 20 HB VAL 20 -3.260 2.725 3.188 41 1HG1 VAL 20 HG12 VAL 20 -4.427 4.963 3.069 42 2HG1 VAL 20 HG11 VAL 20 -4.726 4.728 1.323 43 3HG1 VAL 20 HG13 VAL 20 -5.506 3.666 2.517 44 1HG2 VAL 20 HG22 VAL 20 -3.393 2.812 0.101 45 2HG2 VAL 20 HG21 VAL 20 -2.678 1.524 1.118 46 3HG2 VAL 20 HG23 VAL 20 -4.440 1.774 1.090 47 H ALA 21 H ALA 21 -2.747 6.615 2.540 48 HA ALA 21 HA ALA 21 -3.443 7.018 -0.121 49 1HB ALA 21 HB3 ALA 21 -4.405 8.471 1.610 50 2HB ALA 21 HB2 ALA 21 -2.796 9.193 1.933 51 3HB ALA 21 HB1 ALA 21 -3.595 9.454 0.355 52 H ALA 22 H ALA 22 -0.359 7.616 1.693 53 HA ALA 22 HA ALA 22 0.923 9.286 -0.089 54 1HB ALA 22 HB3 ALA 22 1.866 8.523 2.154 55 2HB ALA 22 HB2 ALA 22 2.330 6.981 1.370 56 3HB ALA 22 HB1 ALA 22 3.046 8.522 0.815 57 H PHE 23 H PHE 23 0.218 5.836 -0.776 58 HA PHE 23 HA PHE 23 1.791 6.201 -3.327 59 1HB PHE 23 HB2 PHE 23 2.792 4.694 -1.533 60 2HB PHE 23 HB1 PHE 23 1.553 3.465 -2.153 61 HD1 PHE 23 HD2 PHE 23 2.798 5.150 -5.051 62 HD2 PHE 23 HD1 PHE 23 3.874 2.387 -1.893 63 HE1 PHE 23 HE2 PHE 23 4.368 3.980 -6.520 64 HE2 PHE 23 HE1 PHE 23 5.698 1.520 -3.275 65 HZ PHE 23 HZ PHE 23 5.954 2.309 -5.653 66 H GLY 24 H GLY 24 -0.705 3.948 -1.691 67 1HA GLY 24 HA1 GLY 24 -1.949 3.312 -4.172 68 2HA GLY 24 HA2 GLY 24 -2.650 3.078 -2.547 69 H GLY 25 H GLY 25 -2.309 6.161 -1.993 70 1HA GLY 25 HA1 GLY 25 -4.835 6.919 -3.429 71 2HA GLY 25 HA2 GLY 25 -4.135 7.789 -2.065 72 H LYS 26 H LYS 26 -1.652 6.943 -4.399 73 HA LYS 26 HA LYS 26 -1.636 9.792 -5.298 74 1HB LYS 26 HB2 LYS 26 0.200 7.454 -5.923 75 2HB LYS 26 HB1 LYS 26 0.499 9.165 -6.372 76 1HG LYS 26 HG2 LYS 26 0.355 7.987 -3.548 77 2HG LYS 26 HG1 LYS 26 1.857 8.230 -4.489 78 1HD LYS 26 HD2 LYS 26 0.466 10.787 -4.335 79 2HD LYS 26 HD1 LYS 26 0.444 10.083 -2.713 80 1HE LYS 26 HE2 LYS 26 2.512 11.089 -2.483 81 2HE LYS 26 HE1 LYS 26 3.158 9.690 -3.341 82 1HZ LYS 26 HZ2 LYS 26 2.862 10.952 -5.484 83 2HZ LYS 26 HZ1 LYS 26 2.379 12.345 -4.545 84 3HZ LYS 26 HZ3 LYS 26 3.977 11.699 -4.372 85 H GLU 27 H GLU 27 -3.925 9.271 -6.267 86 HA GLU 27 HA GLU 27 -4.261 7.050 -7.941 87 1HB GLU 27 HB2 GLU 27 -6.384 7.799 -8.388 88 2HB GLU 27 HB1 GLU 27 -6.036 9.007 -7.138 89 1HG GLU 27 HG2 GLU 27 -5.232 10.569 -9.047 90 2HG GLU 27 HG1 GLU 27 -5.835 9.341 -10.202 91 H ASN 28 H ASN 28 -2.699 10.189 -8.640 92 HA ASN 28 HA ASN 28 -2.621 10.160 -11.399 93 1HB ASN 28 HB2 ASN 28 -1.577 11.946 -9.988 94 2HB ASN 28 HB1 ASN 28 -0.357 10.788 -9.397 95 1HD2 ASN 28 HD22 ASN 28 -0.065 12.153 -13.336 96 2HD2 ASN 28 HD21 ASN 28 -1.638 12.003 -12.642 97 H ILE 29 H ILE 29 -1.129 7.701 -9.315 98 HA ILE 29 HA ILE 29 1.051 6.947 -10.603 99 HB ILE 29 HB ILE 29 -1.274 5.346 -9.465 100 1HG1 ILE 29 HG12 ILE 29 -0.165 5.509 -7.469 101 2HG1 ILE 29 HG11 ILE 29 1.178 4.609 -8.138 102 1HG2 ILE 29 HG22 ILE 29 -0.563 3.751 -11.165 103 2HG2 ILE 29 HG21 ILE 29 1.107 3.767 -10.525 104 3HG2 ILE 29 HG23 ILE 29 -0.217 3.183 -9.518 105 1HD1 ILE 29 HD12 ILE 29 2.334 6.770 -8.856 106 2HD1 ILE 29 HD11 ILE 29 0.970 7.668 -8.191 107 3HD1 ILE 29 HD13 ILE 29 2.011 6.661 -7.133 108 H THR 30 H THR 30 1.872 5.389 -12.014 109 HA THR 30 HA THR 30 0.521 5.697 -14.620 110 HB THR 30 HB THR 30 2.620 5.878 -15.432 111 HG1 THR 30 HG1 THR 30 3.708 3.811 -15.719 112 1HG2 THR 30 HG23 THR 30 3.617 6.407 -13.187 113 2HG2 THR 30 HG22 THR 30 3.817 4.634 -12.932 114 3HG2 THR 30 HG21 THR 30 4.716 5.464 -14.222 115 H ASN 31 H ASN 31 1.925 2.867 -12.658 116 HA ASN 31 HA ASN 31 -0.402 1.310 -13.738 117 1HB ASN 31 HB2 ASN 31 2.566 0.740 -13.935 118 2HB ASN 31 HB1 ASN 31 1.477 -0.634 -13.612 119 1HD2 ASN 31 HD22 ASN 31 1.174 1.374 -17.246 120 2HD2 ASN 31 HD21 ASN 31 1.798 2.234 -15.890 121 H LEU 32 H LEU 32 -1.257 -0.363 -12.440 122 HA LEU 32 HA LEU 32 -0.101 -0.778 -9.764 123 1HB LEU 32 HB2 LEU 32 -1.796 1.347 -10.050 124 2HB LEU 32 HB1 LEU 32 -3.050 0.104 -9.905 125 HG LEU 32 HG LEU 32 -0.791 0.509 -7.859 126 1HD1 LEU 32 HD12 LEU 32 -2.012 2.665 -7.970 127 2HD1 LEU 32 HD11 LEU 32 -3.562 1.814 -7.732 128 3HD1 LEU 32 HD13 LEU 32 -2.327 1.820 -6.438 129 1HD2 LEU 32 HD21 LEU 32 -2.179 -1.699 -7.794 130 2HD2 LEU 32 HD23 LEU 32 -2.194 -0.742 -6.289 131 3HD2 LEU 32 HD22 LEU 32 -3.592 -0.695 -7.401 132 H ASP 33 H ASP 33 -0.700 -3.022 -9.121 133 HA ASP 33 HA ASP 33 -2.587 -4.412 -11.026 134 1HB ASP 33 HB2 ASP 33 -0.009 -5.456 -9.815 135 2HB ASP 33 HB1 ASP 33 -1.221 -6.480 -10.599 136 H ALA 34 H ALA 34 -4.092 -3.489 -9.225 137 HA ALA 34 HA ALA 34 -3.885 -4.540 -6.591 138 1HB ALA 34 HB3 ALA 34 -5.362 -2.650 -7.098 139 2HB ALA 34 HB2 ALA 34 -6.419 -3.712 -8.076 140 3HB ALA 34 HB1 ALA 34 -6.271 -3.973 -6.311 141 H CYS 35 H CYS 35 -4.863 -6.500 -5.578 142 HA CYS 35 HA CYS 35 -6.504 -8.202 -7.227 143 1HB CYS 35 HB2 CYS 35 -3.751 -8.468 -7.801 144 2HB CYS 35 HB1 CYS 35 -4.014 -9.755 -6.591 145 HG CYS 35 HG CYS 35 -4.405 -10.615 -8.958 146 H ILE 36 H ILE 36 -6.745 -10.522 -6.146 147 HA ILE 36 HA ILE 36 -8.147 -10.158 -3.990 148 HB ILE 36 HB ILE 36 -7.913 -12.447 -3.153 149 1HG1 ILE 36 HG12 ILE 36 -5.688 -13.280 -3.384 150 2HG1 ILE 36 HG11 ILE 36 -6.663 -14.186 -4.511 151 1HG2 ILE 36 HG22 ILE 36 -9.462 -11.858 -5.021 152 2HG2 ILE 36 HG21 ILE 36 -8.229 -12.364 -6.209 153 3HG2 ILE 36 HG23 ILE 36 -8.918 -13.548 -5.073 154 1HD1 ILE 36 HD12 ILE 36 -5.824 -12.864 -6.457 155 2HD1 ILE 36 HD11 ILE 36 -4.808 -11.872 -5.382 156 3HD1 ILE 36 HD13 ILE 36 -4.495 -13.611 -5.531 157 H THR 37 H THR 37 -4.719 -11.302 -3.192 158 HA THR 37 HA THR 37 -4.969 -9.532 -0.839 159 HB THR 37 HB THR 37 -3.724 -11.301 0.497 160 HG1 THR 37 HG1 THR 37 -3.170 -12.704 -1.319 161 1HG2 THR 37 HG22 THR 37 -6.570 -11.992 -0.432 162 2HG2 THR 37 HG21 THR 37 -5.761 -12.664 1.013 163 3HG2 THR 37 HG23 THR 37 -6.130 -10.918 0.933 164 H ARG 38 H ARG 38 -3.927 -8.904 -3.420 165 HA ARG 38 HA ARG 38 -1.064 -8.605 -2.802 166 1HB ARG 38 HB2 ARG 38 -2.099 -9.965 -5.372 167 2HB ARG 38 HB1 ARG 38 -0.479 -9.322 -5.116 168 1HG ARG 38 HG2 ARG 38 0.125 -11.417 -4.531 169 2HG ARG 38 HG1 ARG 38 -0.751 -11.153 -2.995 170 1HD ARG 38 HD2 ARG 38 -2.529 -12.619 -3.699 171 2HD ARG 38 HD1 ARG 38 -2.167 -12.307 -5.404 172 HE ARG 38 HE ARG 38 -0.661 -14.004 -5.483 173 1HH1 ARG 38 HH11 ARG 38 -0.980 -13.122 -1.986 174 2HH1 ARG 38 HH12 ARG 38 0.160 -14.362 -1.511 175 1HH2 ARG 38 HH21 ARG 38 0.771 -15.553 -4.740 176 2HH2 ARG 38 HH22 ARG 38 1.111 -15.717 -3.022 177 H LEU 39 H LEU 39 -0.754 -6.271 -3.253 178 HA LEU 39 HA LEU 39 -1.952 -5.434 -5.838 179 1HB LEU 39 HB2 LEU 39 -2.542 -3.227 -5.093 180 2HB LEU 39 HB1 LEU 39 -3.245 -4.416 -4.002 181 HG LEU 39 HG LEU 39 -1.077 -3.815 -2.504 182 1HD1 LEU 39 HD12 LEU 39 -0.182 -2.210 -4.347 183 2HD1 LEU 39 HD11 LEU 39 -1.510 -1.118 -3.936 184 3HD1 LEU 39 HD13 LEU 39 -0.298 -1.523 -2.698 185 1HD2 LEU 39 HD21 LEU 39 -3.488 -3.351 -1.796 186 2HD2 LEU 39 HD23 LEU 39 -2.418 -2.014 -1.345 187 3HD2 LEU 39 HD22 LEU 39 -3.490 -1.875 -2.762 188 H ARG 40 H ARG 40 -0.640 -3.271 -6.604 189 HA ARG 40 HA ARG 40 2.203 -3.599 -5.968 190 1HB ARG 40 HB2 ARG 40 1.366 -3.852 -8.904 191 2HB ARG 40 HB1 ARG 40 3.004 -3.834 -8.281 192 1HG ARG 40 HG2 ARG 40 2.535 -6.047 -7.132 193 2HG ARG 40 HG1 ARG 40 0.973 -6.116 -7.867 194 1HD ARG 40 HD2 ARG 40 3.324 -7.230 -8.846 195 2HD ARG 40 HD1 ARG 40 1.933 -6.953 -9.858 196 HE ARG 40 HE ARG 40 2.725 -4.731 -10.530 197 1HH1 ARG 40 HH11 ARG 40 5.245 -7.263 -9.768 198 2HH1 ARG 40 HH12 ARG 40 6.451 -6.352 -10.646 199 1HH2 ARG 40 HH21 ARG 40 4.358 -3.724 -11.595 200 2HH2 ARG 40 HH22 ARG 40 5.966 -4.435 -11.684 201 H VAL 41 H VAL 41 3.484 -1.647 -7.003 202 HA VAL 41 HA VAL 41 1.584 0.385 -8.046 203 HB VAL 41 HB VAL 41 3.366 1.116 -5.694 204 1HG1 VAL 41 HG11 VAL 41 0.637 2.162 -6.767 205 2HG1 VAL 41 HG13 VAL 41 1.473 2.865 -5.382 206 3HG1 VAL 41 HG12 VAL 41 2.235 2.914 -7.009 207 1HG2 VAL 41 HG21 VAL 41 2.095 -0.774 -4.738 208 2HG2 VAL 41 HG23 VAL 41 1.630 0.782 -4.024 209 3HG2 VAL 41 HG22 VAL 41 0.565 0.025 -5.237 210 H SER 42 H SER 42 2.832 -0.281 -9.975 211 HA SER 42 HA SER 42 5.663 0.237 -9.976 212 1HB SER 42 HB2 SER 42 5.002 -1.353 -11.609 213 2HB SER 42 HB1 SER 42 3.640 -0.352 -12.171 214 HG SER 42 HG SER 42 5.458 -0.191 -13.658 215 H VAL 43 H VAL 43 6.609 2.281 -9.741 216 HA VAL 43 HA VAL 43 5.617 4.344 -11.597 217 HB VAL 43 HB VAL 43 5.251 6.002 -9.852 218 1HG1 VAL 43 HG11 VAL 43 3.926 3.351 -8.946 219 2HG1 VAL 43 HG13 VAL 43 3.500 4.956 -8.405 220 3HG1 VAL 43 HG12 VAL 43 3.295 4.534 -10.129 221 1HG2 VAL 43 HG22 VAL 43 6.346 3.964 -7.821 222 2HG2 VAL 43 HG21 VAL 43 7.165 5.452 -8.331 223 3HG2 VAL 43 HG23 VAL 43 5.654 5.578 -7.444 224 H ALA 44 H ALA 44 6.991 6.322 -11.634 225 HA ALA 44 HA ALA 44 9.832 5.624 -11.352 226 1HB ALA 44 HB3 ALA 44 9.027 7.132 -13.194 227 2HB ALA 44 HB2 ALA 44 8.484 8.330 -11.980 228 3HB ALA 44 HB1 ALA 44 10.224 7.949 -12.142 229 H ASP 45 H ASP 45 7.339 7.635 -9.617 230 HA ASP 45 HA ASP 45 8.757 9.247 -8.075 231 1HB ASP 45 HB2 ASP 45 6.288 8.954 -8.026 232 2HB ASP 45 HB1 ASP 45 6.452 7.667 -6.838 233 H VAL 46 H VAL 46 8.024 6.392 -5.876 234 HA VAL 46 HA VAL 46 9.373 5.769 -4.156 235 HB VAL 46 HB VAL 46 10.736 4.054 -4.792 236 1HG1 VAL 46 HG12 VAL 46 8.546 3.960 -6.113 237 2HG1 VAL 46 HG11 VAL 46 9.421 4.668 -7.509 238 3HG1 VAL 46 HG13 VAL 46 9.875 3.057 -6.886 239 1HG2 VAL 46 HG22 VAL 46 11.839 5.700 -7.135 240 2HG2 VAL 46 HG21 VAL 46 12.712 5.155 -5.668 241 3HG2 VAL 46 HG23 VAL 46 12.187 3.966 -6.868 242 H SER 47 H SER 47 9.994 8.764 -4.886 243 HA SER 47 HA SER 47 12.800 8.783 -3.780 244 1HB SER 47 HB2 SER 47 12.536 9.668 -6.100 245 2HB SER 47 HB1 SER 47 11.273 10.791 -5.537 246 HG SER 47 HG SER 47 14.013 10.855 -4.653 247 H LYS 48 H LYS 48 9.782 8.860 -2.481 248 HA LYS 48 HA LYS 48 10.561 10.403 -0.289 249 1HB LYS 48 HB2 LYS 48 8.949 12.296 -0.311 250 2HB LYS 48 HB1 LYS 48 10.340 12.510 -1.391 251 1HG LYS 48 HG2 LYS 48 7.455 11.839 -2.307 252 2HG LYS 48 HG1 LYS 48 8.275 13.401 -2.323 253 1HD LYS 48 HD2 LYS 48 10.130 12.210 -3.810 254 2HD LYS 48 HD1 LYS 48 8.882 10.948 -4.046 255 1HE LYS 48 HE2 LYS 48 8.817 12.488 -5.915 256 2HE LYS 48 HE1 LYS 48 7.346 12.833 -4.944 257 1HZ LYS 48 HZ1 LYS 48 9.951 14.414 -4.863 258 2HZ LYS 48 HZ3 LYS 48 8.565 14.846 -5.800 259 3HZ LYS 48 HZ2 LYS 48 8.458 14.873 -4.085 260 H VAL 49 H VAL 49 7.574 9.526 -2.227 261 HA VAL 49 HA VAL 49 5.718 8.986 -0.426 262 HB VAL 49 HB VAL 49 5.431 8.124 -2.643 263 1HG1 VAL 49 HG11 VAL 49 7.993 6.523 -2.172 264 2HG1 VAL 49 HG13 VAL 49 6.813 6.020 -3.425 265 3HG1 VAL 49 HG12 VAL 49 7.612 7.596 -3.506 266 1HG2 VAL 49 HG21 VAL 49 4.233 6.802 -0.877 267 2HG2 VAL 49 HG23 VAL 49 4.673 5.813 -2.303 268 3HG2 VAL 49 HG22 VAL 49 5.588 5.659 -0.779 269 H ASP 50 H ASP 50 5.315 7.631 1.452 270 HA ASP 50 HA ASP 50 7.823 6.719 2.725 271 1HB ASP 50 HB2 ASP 50 6.109 8.152 3.876 272 2HB ASP 50 HB1 ASP 50 4.953 6.798 3.815 273 H GLN 51 H GLN 51 7.908 4.997 0.838 274 HA GLN 51 HA GLN 51 5.860 2.949 0.811 275 1HB GLN 51 HB2 GLN 51 8.751 2.529 -0.078 276 2HB GLN 51 HB1 GLN 51 7.331 1.549 -0.547 277 1HG GLN 51 HG2 GLN 51 6.336 3.591 -1.658 278 2HG GLN 51 HG1 GLN 51 7.835 4.479 -1.309 279 1HE2 GLN 51 HE22 GLN 51 9.579 2.217 -3.799 280 2HE2 GLN 51 HE21 GLN 51 9.736 2.216 -2.092 281 H ALA 52 H ALA 52 9.124 3.315 2.359 282 HA ALA 52 HA ALA 52 9.406 0.887 3.601 283 1HB ALA 52 HB3 ALA 52 11.051 2.770 3.857 284 2HB ALA 52 HB2 ALA 52 9.882 3.665 4.872 285 3HB ALA 52 HB1 ALA 52 10.585 2.126 5.457 286 H GLY 53 H GLY 53 7.045 3.498 4.537 287 1HA GLY 53 HA1 GLY 53 6.108 1.839 6.827 288 2HA GLY 53 HA2 GLY 53 5.424 3.388 6.277 289 H LEU 54 H LEU 54 5.055 2.724 3.428 290 HA LEU 54 HA LEU 54 2.451 1.682 3.892 291 1HB LEU 54 HB2 LEU 54 3.479 3.081 1.818 292 2HB LEU 54 HB1 LEU 54 3.503 1.515 1.020 293 HG LEU 54 HG LEU 54 0.863 2.370 2.402 294 1HD1 LEU 54 HD11 LEU 54 2.004 3.388 -0.062 295 2HD1 LEU 54 HD13 LEU 54 0.317 3.760 0.353 296 3HD1 LEU 54 HD12 LEU 54 1.684 4.500 1.237 297 1HD2 LEU 54 HD22 LEU 54 1.409 1.041 -0.343 298 2HD2 LEU 54 HD21 LEU 54 0.944 0.135 1.116 299 3HD2 LEU 54 HD23 LEU 54 -0.177 1.316 0.410 300 H LYS 55 H LYS 55 5.540 0.135 3.289 301 HA LYS 55 HA LYS 55 4.378 -2.118 2.055 302 1HB LYS 55 HB2 LYS 55 6.642 -3.218 2.329 303 2HB LYS 55 HB1 LYS 55 6.630 -1.558 1.618 304 1HG LYS 55 HG2 LYS 55 8.571 -1.753 2.816 305 2HG LYS 55 HG1 LYS 55 7.568 -0.654 3.713 306 1HD LYS 55 HD2 LYS 55 7.612 -1.966 5.605 307 2HD LYS 55 HD1 LYS 55 7.316 -3.479 4.698 308 1HE LYS 55 HE2 LYS 55 10.042 -2.029 4.745 309 2HE LYS 55 HE1 LYS 55 9.581 -3.261 5.942 310 1HZ LYS 55 HZ1 LYS 55 9.613 -3.834 2.951 311 2HZ LYS 55 HZ3 LYS 55 10.895 -4.206 4.052 312 3HZ LYS 55 HZ2 LYS 55 9.341 -4.948 4.238 313 H LYS 56 H LYS 56 5.345 -1.473 5.362 314 HA LYS 56 HA LYS 56 4.356 -4.161 6.216 315 1HB LYS 56 HB2 LYS 56 5.245 -3.645 8.428 316 2HB LYS 56 HB1 LYS 56 6.470 -3.445 7.161 317 1HG LYS 56 HG2 LYS 56 5.983 -0.845 7.318 318 2HG LYS 56 HG1 LYS 56 5.017 -1.236 8.752 319 1HD LYS 56 HD2 LYS 56 8.015 -1.911 8.326 320 2HD LYS 56 HD1 LYS 56 7.413 -0.420 9.094 321 1HE LYS 56 HE2 LYS 56 6.254 -1.790 10.866 322 2HE LYS 56 HE1 LYS 56 6.968 -3.271 10.162 323 1HZ LYS 56 HZ1 LYS 56 8.534 -0.892 11.237 324 2HZ LYS 56 HZ3 LYS 56 8.309 -2.410 12.047 325 3HZ LYS 56 HZ2 LYS 56 9.223 -2.345 10.564 326 H LEU 57 H LEU 57 3.600 -0.655 6.689 327 HA LEU 57 HA LEU 57 1.324 -1.375 8.434 328 1HB LEU 57 HB2 LEU 57 2.970 0.290 9.071 329 2HB LEU 57 HB1 LEU 57 2.654 1.281 7.631 330 HG LEU 57 HG LEU 57 1.702 2.036 9.910 331 1HD1 LEU 57 HD11 LEU 57 -0.028 1.970 7.388 332 2HD1 LEU 57 HD13 LEU 57 -0.298 3.022 8.831 333 3HD1 LEU 57 HD12 LEU 57 1.176 3.208 7.861 334 1HD2 LEU 57 HD21 LEU 57 0.629 -0.163 10.562 335 2HD2 LEU 57 HD23 LEU 57 -0.485 1.237 10.606 336 3HD2 LEU 57 HD22 LEU 57 -0.584 0.077 9.263 337 H GLY 58 H GLY 58 1.905 -0.247 5.050 338 1HA GLY 58 HA1 GLY 58 -1.021 0.208 4.682 339 2HA GLY 58 HA2 GLY 58 0.251 0.482 3.496 340 H ALA 59 H ALA 59 1.633 -2.077 3.600 341 HA ALA 59 HA ALA 59 -0.500 -3.878 2.507 342 1HB ALA 59 HB3 ALA 59 0.849 -2.692 0.729 343 2HB ALA 59 HB2 ALA 59 2.340 -3.349 1.471 344 3HB ALA 59 HB1 ALA 59 1.161 -4.449 0.706 345 H ALA 60 H ALA 60 1.789 -6.061 2.267 346 HA ALA 60 HA ALA 60 3.114 -5.976 4.833 347 1HB ALA 60 HB3 ALA 60 0.939 -6.609 5.740 348 2HB ALA 60 HB2 ALA 60 0.822 -8.059 4.716 349 3HB ALA 60 HB1 ALA 60 2.177 -7.904 5.850 350 H GLY 61 H GLY 61 4.379 -5.967 2.569 351 1HA GLY 61 HA1 GLY 61 6.301 -7.702 2.516 352 2HA GLY 61 HA2 GLY 61 5.062 -8.813 1.889 353 H VAL 62 H VAL 62 6.709 -5.607 1.174 354 HA VAL 62 HA VAL 62 5.805 -5.979 -1.682 355 HB VAL 62 HB VAL 62 5.549 -3.597 -1.889 356 1HG1 VAL 62 HG12 VAL 62 3.875 -4.550 -0.187 357 2HG1 VAL 62 HG11 VAL 62 4.955 -3.993 1.042 358 3HG1 VAL 62 HG13 VAL 62 4.219 -2.807 -0.102 359 1HG2 VAL 62 HG22 VAL 62 7.632 -3.170 0.216 360 2HG2 VAL 62 HG21 VAL 62 7.732 -2.904 -1.529 361 3HG2 VAL 62 HG23 VAL 62 6.624 -1.902 -0.599 362 H VAL 63 H VAL 63 7.392 -4.839 -3.243 363 HA VAL 63 HA VAL 63 10.157 -5.043 -2.246 364 HB VAL 63 HB VAL 63 10.706 -6.997 -3.290 365 1HG1 VAL 63 HG11 VAL 63 7.724 -7.195 -4.054 366 2HG1 VAL 63 HG13 VAL 63 8.890 -8.530 -4.191 367 3HG1 VAL 63 HG12 VAL 63 8.497 -7.852 -2.595 368 1HG2 VAL 63 HG21 VAL 63 11.082 -5.721 -5.392 369 2HG2 VAL 63 HG23 VAL 63 10.510 -7.373 -5.710 370 3HG2 VAL 63 HG22 VAL 63 9.381 -6.005 -5.871 371 H VAL 64 H VAL 64 11.543 -3.525 -3.343 372 HA VAL 64 HA VAL 64 10.005 -1.771 -5.236 373 HB VAL 64 HB VAL 64 12.344 -1.160 -3.383 374 1HG1 VAL 64 HG11 VAL 64 10.688 0.683 -5.227 375 2HG1 VAL 64 HG13 VAL 64 11.891 1.238 -4.027 376 3HG1 VAL 64 HG12 VAL 64 12.404 0.257 -5.428 377 1HG2 VAL 64 HG21 VAL 64 10.137 -1.594 -2.185 378 2HG2 VAL 64 HG23 VAL 64 10.716 0.075 -1.991 379 3HG2 VAL 64 HG22 VAL 64 9.389 -0.283 -3.143 380 H ALA 65 H ALA 65 10.869 -1.676 -7.378 381 HA ALA 65 HA ALA 65 13.728 -2.517 -7.770 382 1HB ALA 65 HB2 ALA 65 11.245 -3.708 -9.158 383 2HB ALA 65 HB1 ALA 65 12.946 -4.052 -9.594 384 3HB ALA 65 HB3 ALA 65 12.306 -4.559 -8.002 385 H GLY 66 H GLY 66 14.031 -0.127 -8.149 386 1HA GLY 66 HA1 GLY 66 12.777 1.705 -9.485 387 2HA GLY 66 HA2 GLY 66 14.457 1.375 -9.954 388 H SER 67 H SER 67 11.249 1.566 -11.231 389 HA SER 67 HA SER 67 10.996 1.149 -13.664 390 1HB SER 67 HB2 SER 67 12.127 -1.643 -12.993 391 2HB SER 67 HB1 SER 67 11.246 -1.216 -14.478 392 HG SER 67 HG SER 67 12.983 0.317 -14.946 393 H GLY 68 H GLY 68 10.393 -0.705 -10.629 394 1HA GLY 68 HA1 GLY 68 7.579 -0.465 -11.067 395 2HA GLY 68 HA2 GLY 68 8.123 -2.137 -11.396 396 H VAL 69 H VAL 69 6.353 -1.739 -9.203 397 HA VAL 69 HA VAL 69 8.165 -2.416 -6.959 398 HB VAL 69 HB VAL 69 5.943 -0.329 -6.665 399 1HG1 VAL 69 HG11 VAL 69 7.807 -1.570 -4.561 400 2HG1 VAL 69 HG13 VAL 69 6.778 -0.177 -4.288 401 3HG1 VAL 69 HG12 VAL 69 6.042 -1.746 -4.686 402 1HG2 VAL 69 HG22 VAL 69 8.996 -0.045 -6.755 403 2HG2 VAL 69 HG21 VAL 69 7.760 0.840 -7.681 404 3HG2 VAL 69 HG23 VAL 69 7.993 1.165 -5.943 405 H GLN 70 H GLN 70 7.225 -4.265 -5.918 406 HA GLN 70 HA GLN 70 4.435 -4.917 -6.800 407 1HB GLN 70 HB2 GLN 70 5.848 -6.643 -7.540 408 2HB GLN 70 HB1 GLN 70 6.891 -6.564 -6.114 409 1HG GLN 70 HG2 GLN 70 5.102 -7.500 -4.670 410 2HG GLN 70 HG1 GLN 70 4.004 -7.574 -6.078 411 1HE2 GLN 70 HE22 GLN 70 6.642 -10.630 -5.554 412 2HE2 GLN 70 HE21 GLN 70 6.416 -9.443 -4.323 413 H ALA 71 H ALA 71 2.870 -5.663 -4.967 414 HA ALA 71 HA ALA 71 3.857 -4.899 -2.357 415 1HB ALA 71 HB3 ALA 71 2.879 -2.784 -3.247 416 2HB ALA 71 HB2 ALA 71 1.362 -3.667 -3.573 417 3HB ALA 71 HB1 ALA 71 1.894 -3.433 -1.893 418 H ILE 72 H ILE 72 3.623 -6.924 -1.311 419 HA ILE 72 HA ILE 72 0.990 -8.213 -1.834 420 HB ILE 72 HB ILE 72 3.831 -9.208 -1.934 421 1HG1 ILE 72 HG12 ILE 72 2.555 -11.191 -3.108 422 2HG1 ILE 72 HG11 ILE 72 1.157 -10.128 -2.912 423 1HG2 ILE 72 HG22 ILE 72 3.282 -10.102 0.353 424 2HG2 ILE 72 HG21 ILE 72 1.891 -10.980 -0.363 425 3HG2 ILE 72 HG23 ILE 72 3.555 -11.354 -0.876 426 1HD1 ILE 72 HD12 ILE 72 2.390 -8.309 -4.240 427 2HD1 ILE 72 HD11 ILE 72 3.713 -9.515 -4.413 428 3HD1 ILE 72 HD13 ILE 72 2.131 -9.817 -5.174 429 H PHE 73 H PHE 73 -0.027 -9.464 -0.118 430 HA PHE 73 HA PHE 73 0.920 -8.507 2.543 431 1HB PHE 73 HB2 PHE 73 -1.900 -9.390 2.408 432 2HB PHE 73 HB1 PHE 73 -1.218 -8.008 3.270 433 HD1 PHE 73 HD1 PHE 73 -0.417 -6.030 1.720 434 HD2 PHE 73 HD2 PHE 73 -3.312 -8.918 0.592 435 HE1 PHE 73 HE1 PHE 73 -1.128 -4.554 -0.175 436 HE2 PHE 73 HE2 PHE 73 -4.126 -7.412 -1.230 437 HZ PHE 73 HZ PHE 73 -2.795 -5.467 -1.827 438 H GLY 74 H GLY 74 -1.088 -11.232 1.036 439 1HA GLY 74 HA1 GLY 74 -0.506 -13.523 1.206 440 2HA GLY 74 HA2 GLY 74 0.709 -13.141 2.433 441 H THR 75 H THR 75 -2.910 -13.083 1.883 442 HA THR 75 HA THR 75 -4.663 -13.489 3.285 443 HB THR 75 HB THR 75 -2.624 -15.432 4.409 444 HG1 THR 75 HG1 THR 75 -4.225 -16.804 3.299 445 1HG2 THR 75 HG22 THR 75 -5.514 -14.940 5.395 446 2HG2 THR 75 HG21 THR 75 -4.569 -16.423 5.721 447 3HG2 THR 75 HG23 THR 75 -4.016 -14.864 6.377 448 H LYS 76 H LYS 76 -1.887 -13.094 5.710 449 HA LYS 76 HA LYS 76 -3.417 -11.906 7.641 450 1HB LYS 76 HB2 LYS 76 -1.531 -10.627 8.426 451 2HB LYS 76 HB1 LYS 76 -0.951 -12.219 7.885 452 1HG LYS 76 HG2 LYS 76 -0.284 -11.108 5.658 453 2HG LYS 76 HG1 LYS 76 -0.681 -9.527 6.344 454 1HD LYS 76 HD2 LYS 76 1.404 -11.511 7.424 455 2HD LYS 76 HD1 LYS 76 1.776 -10.094 6.432 456 1HE LYS 76 HE2 LYS 76 0.586 -10.117 9.293 457 2HE LYS 76 HE1 LYS 76 2.277 -9.794 8.886 458 1HZ LYS 76 HZ1 LYS 76 0.072 -7.960 7.915 459 2HZ LYS 76 HZ3 LYS 76 0.818 -7.798 9.464 460 3HZ LYS 76 HZ2 LYS 76 1.781 -7.658 8.061 461 H SER 77 H SER 77 -2.804 -10.488 4.390 462 HA SER 77 HA SER 77 -3.412 -7.957 4.485 463 1HB SER 77 HB2 SER 77 -4.156 -9.707 2.539 464 2HB SER 77 HB1 SER 77 -5.762 -9.461 3.195 465 HG SER 77 HG SER 77 -5.295 -7.738 1.672 466 H ASP 78 H ASP 78 -5.986 -10.479 5.358 467 HA ASP 78 HA ASP 78 -7.976 -8.632 5.900 468 1HB ASP 78 HB2 ASP 78 -7.464 -11.269 7.388 469 2HB ASP 78 HB1 ASP 78 -8.977 -10.318 7.457 470 H ASN 79 H ASN 79 -5.540 -9.875 8.378 471 HA ASN 79 HA ASN 79 -6.501 -8.357 10.529 472 1HB ASN 79 HB2 ASN 79 -4.635 -9.977 10.763 473 2HB ASN 79 HB1 ASN 79 -3.553 -8.936 9.815 474 1HD2 ASN 79 HD22 ASN 79 -3.032 -6.547 12.481 475 2HD2 ASN 79 HD21 ASN 79 -2.943 -6.736 10.768 476 H LEU 80 H LEU 80 -4.175 -7.390 7.958 477 HA LEU 80 HA LEU 80 -3.873 -4.661 8.867 478 1HB LEU 80 HB2 LEU 80 -2.162 -5.291 7.371 479 2HB LEU 80 HB1 LEU 80 -3.246 -6.212 6.339 480 HG LEU 80 HG LEU 80 -4.261 -3.975 5.519 481 1HD1 LEU 80 HD12 LEU 80 -3.104 -2.530 7.299 482 2HD1 LEU 80 HD11 LEU 80 -1.531 -2.965 6.564 483 3HD1 LEU 80 HD13 LEU 80 -2.720 -2.014 5.628 484 1HD2 LEU 80 HD21 LEU 80 -2.914 -5.527 4.126 485 2HD2 LEU 80 HD23 LEU 80 -2.603 -3.829 3.759 486 3HD2 LEU 80 HD22 LEU 80 -1.420 -4.764 4.738 487 H LYS 81 H LYS 81 -6.000 -6.064 6.257 488 HA LYS 81 HA LYS 81 -7.003 -3.640 5.466 489 1HB LYS 81 HB2 LYS 81 -7.131 -5.857 4.257 490 2HB LYS 81 HB1 LYS 81 -8.543 -6.281 5.240 491 1HG LYS 81 HG2 LYS 81 -8.748 -3.584 3.855 492 2HG LYS 81 HG1 LYS 81 -8.508 -4.936 2.738 493 1HD LYS 81 HD2 LYS 81 -10.866 -4.563 2.906 494 2HD LYS 81 HD1 LYS 81 -10.501 -6.133 3.668 495 1HE LYS 81 HE2 LYS 81 -10.691 -5.081 5.925 496 2HE LYS 81 HE1 LYS 81 -10.926 -3.472 5.160 497 1HZ LYS 81 HZ1 LYS 81 -12.791 -5.840 4.858 498 2HZ LYS 81 HZ3 LYS 81 -13.052 -4.471 5.900 499 3HZ LYS 81 HZ2 LYS 81 -13.028 -4.248 4.181 500 H THR 82 H THR 82 -8.068 -5.809 8.165 501 HA THR 82 HA THR 82 -10.602 -4.472 8.602 502 HB THR 82 HB THR 82 -10.367 -5.516 10.939 503 HG1 THR 82 HG1 THR 82 -8.419 -6.813 11.203 504 1HG2 THR 82 HG22 THR 82 -10.030 -7.266 8.408 505 2HG2 THR 82 HG21 THR 82 -10.271 -7.970 10.030 506 3HG2 THR 82 HG23 THR 82 -11.516 -6.901 9.318 507 H GLU 83 H GLU 83 -7.257 -4.216 10.124 508 HA GLU 83 HA GLU 83 -8.026 -2.065 11.797 509 1HB GLU 83 HB2 GLU 83 -5.833 -1.863 12.480 510 2HB GLU 83 HB1 GLU 83 -5.726 -3.470 11.737 511 1HG GLU 83 HG2 GLU 83 -4.823 -2.212 9.602 512 2HG GLU 83 HG1 GLU 83 -4.852 -0.747 10.586 513 H MET 84 H MET 84 -7.065 -2.219 8.308 514 HA MET 84 HA MET 84 -6.804 0.558 7.968 515 1HB MET 84 HB2 MET 84 -7.718 -1.511 5.892 516 2HB MET 84 HB1 MET 84 -7.465 0.183 5.610 517 1HG MET 84 HG2 MET 84 -4.996 -0.255 6.659 518 2HG MET 84 HG1 MET 84 -5.368 -1.956 6.309 519 1HE MET 84 HE2 MET 84 -6.079 1.671 4.819 520 2HE MET 84 HE1 MET 84 -4.314 1.526 4.801 521 3HE MET 84 HE3 MET 84 -5.262 1.485 3.268 522 H ASP 85 H ASP 85 -9.717 -1.622 7.386 523 HA ASP 85 HA ASP 85 -11.463 0.203 6.371 524 1HB ASP 85 HB2 ASP 85 -12.237 -2.058 6.731 525 2HB ASP 85 HB1 ASP 85 -12.052 -1.937 8.495 526 H GLU 86 H GLU 86 -10.957 -0.349 9.947 527 HA GLU 86 HA GLU 86 -12.465 1.881 10.793 528 1HB GLU 86 HB2 GLU 86 -10.072 0.377 11.982 529 2HB GLU 86 HB1 GLU 86 -10.560 1.900 12.736 530 1HG GLU 86 HG2 GLU 86 -12.845 -0.046 12.202 531 2HG GLU 86 HG1 GLU 86 -11.673 -0.526 13.446 532 H TYR 87 H TYR 87 -8.842 1.787 10.100 533 HA TYR 87 HA TYR 87 -8.420 4.446 10.693 534 1HB TYR 87 HB1 TYR 87 -7.108 2.631 8.672 535 2HB TYR 87 HB2 TYR 87 -6.724 4.304 8.601 536 HD1 TYR 87 HD2 TYR 87 -6.277 5.450 11.118 537 HD2 TYR 87 HD1 TYR 87 -5.638 1.338 10.063 538 HE1 TYR 87 HE2 TYR 87 -4.548 5.272 12.861 539 HE2 TYR 87 HE1 TYR 87 -3.780 1.205 11.704 540 HH TYR 87 HH TYR 87 -2.595 4.002 13.528 541 H ILE 88 H ILE 88 -9.520 3.245 7.352 542 HA ILE 88 HA ILE 88 -9.342 5.947 6.337 543 HB ILE 88 HB ILE 88 -11.246 3.901 5.157 544 1HG1 ILE 88 HG12 ILE 88 -8.763 3.887 3.620 545 2HG1 ILE 88 HG11 ILE 88 -8.292 3.616 5.302 546 1HG2 ILE 88 HG22 ILE 88 -11.407 6.260 4.325 547 2HG2 ILE 88 HG21 ILE 88 -9.675 6.231 3.887 548 3HG2 ILE 88 HG23 ILE 88 -10.831 5.160 3.046 549 1HD1 ILE 88 HD11 ILE 88 -10.447 2.039 3.725 550 2HD1 ILE 88 HD13 ILE 88 -8.792 1.468 4.069 551 3HD1 ILE 88 HD12 ILE 88 -9.949 1.712 5.407 552 H ARG 89 H ARG 89 -12.074 3.943 7.670 553 HA ARG 89 HA ARG 89 -14.020 6.008 7.364 554 1HB ARG 89 HB2 ARG 89 -13.834 3.842 9.548 555 2HB ARG 89 HB1 ARG 89 -15.259 4.829 9.174 556 1HG ARG 89 HG2 ARG 89 -14.443 3.634 6.632 557 2HG ARG 89 HG1 ARG 89 -14.335 2.335 7.839 558 1HD ARG 89 HD2 ARG 89 -16.717 4.112 7.273 559 2HD ARG 89 HD1 ARG 89 -16.600 2.371 6.841 560 HE ARG 89 HE ARG 89 -16.132 2.345 9.573 561 1HH1 ARG 89 HH11 ARG 89 -18.852 3.557 7.532 562 2HH1 ARG 89 HH12 ARG 89 -19.978 3.474 8.878 563 1HH2 ARG 89 HH21 ARG 89 -17.655 2.241 11.206 564 2HH2 ARG 89 HH22 ARG 89 -19.330 2.711 10.908 565 H ASN 90 H ASN 90 -11.460 5.506 9.834 566 HA ASN 90 HA ASN 90 -12.497 7.538 11.652 567 1HB ASN 90 HB2 ASN 90 -11.026 5.692 12.465 568 2HB ASN 90 HB1 ASN 90 -9.742 6.233 11.358 569 1HD2 ASN 90 HD22 ASN 90 -8.313 7.993 14.072 570 2HD2 ASN 90 HD21 ASN 90 -8.088 6.753 12.902 571 H PHE 91 H PHE 91 -10.497 7.587 8.657 572 HA PHE 91 HA PHE 91 -9.893 10.488 9.216 573 1HB PHE 91 HB2 PHE 91 -8.124 8.355 9.369 574 2HB PHE 91 HB1 PHE 91 -7.971 8.763 7.653 575 HD1 PHE 91 HD1 PHE 91 -7.812 10.017 11.173 576 HD2 PHE 91 HD2 PHE 91 -6.629 10.817 7.108 577 HE1 PHE 91 HE1 PHE 91 -6.142 11.655 11.983 578 HE2 PHE 91 HE2 PHE 91 -4.977 12.477 7.923 579 HZ PHE 91 HZ PHE 91 -4.714 12.884 10.361 580 H GLY 92 H GLY 92 -12.244 9.444 7.792 581 1HA GLY 92 HA1 GLY 92 -11.589 10.480 5.039 582 2HA GLY 92 HA2 GLY 92 -12.431 8.921 5.269 No H/Q in entry = 582 Start of MODEL 10 1 H MET 15 H MET 15 -2.725 7.818 11.630 2 HA MET 15 HA MET 15 -1.198 8.782 9.296 3 1HB MET 15 HB2 MET 15 -0.067 7.341 11.783 4 2HB MET 15 HB1 MET 15 0.850 8.103 10.455 5 1HG MET 15 HG2 MET 15 -0.573 10.283 11.093 6 2HG MET 15 HG1 MET 15 -0.829 9.455 12.651 7 1HE MET 15 HE2 MET 15 1.394 11.713 10.554 8 2HE MET 15 HE1 MET 15 0.720 12.331 12.101 9 3HE MET 15 HE3 MET 15 2.496 12.205 11.878 10 H ALA 16 H ALA 16 -2.134 5.629 10.945 11 HA ALA 16 HA ALA 16 -0.761 4.006 9.164 12 1HB ALA 16 HB3 ALA 16 -2.024 3.031 11.069 13 2HB ALA 16 HB2 ALA 16 -3.578 3.403 10.293 14 3HB ALA 16 HB1 ALA 16 -2.470 2.258 9.532 15 HA PRO 17 HA PRO 17 -4.075 4.427 5.928 16 1HB PRO 17 HB2 PRO 17 -5.602 6.920 5.910 17 2HB PRO 17 HB1 PRO 17 -6.117 5.264 6.191 18 1HG PRO 17 HG2 PRO 17 -5.763 7.475 8.159 19 2HG PRO 17 HG1 PRO 17 -6.377 5.854 8.519 20 1HD PRO 17 HD2 PRO 17 -3.732 6.879 9.077 21 2HD PRO 17 HD1 PRO 17 -4.485 5.371 9.619 22 H ALA 18 H ALA 18 -2.880 7.748 7.053 23 HA ALA 18 HA ALA 18 -2.369 8.870 4.555 24 1HB ALA 18 HB3 ALA 18 -1.834 10.036 6.770 25 2HB ALA 18 HB2 ALA 18 -0.431 8.939 6.961 26 3HB ALA 18 HB1 ALA 18 -0.481 10.095 5.602 27 H LEU 19 H LEU 19 -0.701 6.167 6.325 28 HA LEU 19 HA LEU 19 1.544 6.187 4.624 29 1HB LEU 19 HB2 LEU 19 1.200 4.957 6.927 30 2HB LEU 19 HB1 LEU 19 0.624 3.613 5.932 31 HG LEU 19 HG LEU 19 2.925 3.157 6.232 32 1HD1 LEU 19 HD12 LEU 19 2.325 3.080 3.849 33 2HD1 LEU 19 HD11 LEU 19 3.009 4.718 3.578 34 3HD1 LEU 19 HD13 LEU 19 4.060 3.396 4.115 35 1HD2 LEU 19 HD21 LEU 19 3.568 5.257 7.388 36 2HD2 LEU 19 HD23 LEU 19 4.781 4.693 6.231 37 3HD2 LEU 19 HD22 LEU 19 3.730 6.082 5.809 38 H VAL 20 H VAL 20 -1.199 3.591 4.492 39 HA VAL 20 HA VAL 20 -0.664 2.640 2.043 40 HB VAL 20 HB VAL 20 -2.482 1.746 3.299 41 1HG1 VAL 20 HG12 VAL 20 -3.559 3.877 3.891 42 2HG1 VAL 20 HG11 VAL 20 -4.182 4.119 2.242 43 3HG1 VAL 20 HG13 VAL 20 -4.762 2.741 3.242 44 1HG2 VAL 20 HG21 VAL 20 -2.250 1.161 0.852 45 2HG2 VAL 20 HG23 VAL 20 -3.947 1.104 1.411 46 3HG2 VAL 20 HG22 VAL 20 -3.380 2.493 0.446 47 H ALA 21 H ALA 21 -2.115 5.950 2.598 48 HA ALA 21 HA ALA 21 -2.724 6.328 -0.181 49 1HB ALA 21 HB3 ALA 21 -3.725 7.742 1.613 50 2HB ALA 21 HB2 ALA 21 -2.116 8.468 1.940 51 3HB ALA 21 HB1 ALA 21 -2.918 8.743 0.360 52 H ALA 22 H ALA 22 0.260 7.152 1.814 53 HA ALA 22 HA ALA 22 1.650 8.648 -0.054 54 1HB ALA 22 HB3 ALA 22 2.588 8.033 2.205 55 2HB ALA 22 HB2 ALA 22 2.876 6.363 1.616 56 3HB ALA 22 HB1 ALA 22 3.754 7.740 0.874 57 H PHE 23 H PHE 23 1.360 5.051 -0.006 58 HA PHE 23 HA PHE 23 2.516 5.061 -2.720 59 1HB PHE 23 HB2 PHE 23 3.986 3.821 -1.062 60 2HB PHE 23 HB1 PHE 23 2.818 2.482 -1.328 61 HD1 PHE 23 HD2 PHE 23 4.557 5.029 -3.624 62 HD2 PHE 23 HD1 PHE 23 3.559 0.891 -2.825 63 HE1 PHE 23 HE2 PHE 23 6.054 4.318 -5.409 64 HE2 PHE 23 HE1 PHE 23 4.778 0.243 -4.847 65 HZ PHE 23 HZ PHE 23 6.098 1.967 -6.134 66 H GLY 24 H GLY 24 -0.504 4.925 -1.419 67 1HA GLY 24 HA1 GLY 24 -1.403 3.467 -3.841 68 2HA GLY 24 HA2 GLY 24 -2.016 2.928 -2.247 69 H GLY 25 H GLY 25 -1.386 6.436 -2.817 70 1HA GLY 25 HA1 GLY 25 -4.137 6.913 -3.782 71 2HA GLY 25 HA2 GLY 25 -3.708 7.588 -2.179 72 H LYS 26 H LYS 26 -2.002 7.089 -5.344 73 HA LYS 26 HA LYS 26 -1.073 9.963 -5.224 74 1HB LYS 26 HB2 LYS 26 0.602 7.850 -6.718 75 2HB LYS 26 HB1 LYS 26 1.000 9.475 -6.162 76 1HG LYS 26 HG2 LYS 26 2.174 8.110 -4.650 77 2HG LYS 26 HG1 LYS 26 0.661 8.434 -3.780 78 1HD LYS 26 HD2 LYS 26 0.786 6.151 -3.544 79 2HD LYS 26 HD1 LYS 26 -0.074 6.050 -5.066 80 1HE LYS 26 HE2 LYS 26 2.978 5.928 -5.024 81 2HE LYS 26 HE1 LYS 26 1.932 4.491 -4.834 82 1HZ LYS 26 HZ2 LYS 26 0.916 4.936 -6.979 83 2HZ LYS 26 HZ1 LYS 26 2.096 6.216 -7.252 84 3HZ LYS 26 HZ3 LYS 26 2.567 4.537 -7.001 85 H GLU 27 H GLU 27 -3.347 10.048 -6.295 86 HA GLU 27 HA GLU 27 -4.177 8.649 -8.393 87 1HB GLU 27 HB2 GLU 27 -5.779 10.263 -8.630 88 2HB GLU 27 HB1 GLU 27 -4.893 11.227 -7.433 89 1HG GLU 27 HG2 GLU 27 -3.580 12.291 -9.323 90 2HG GLU 27 HG1 GLU 27 -4.599 11.377 -10.484 91 H ASN 28 H ASN 28 -1.418 10.917 -8.756 92 HA ASN 28 HA ASN 28 -1.136 10.903 -11.513 93 1HB ASN 28 HB2 ASN 28 0.372 12.105 -9.898 94 2HB ASN 28 HB1 ASN 28 1.100 10.547 -9.422 95 1HD2 ASN 28 HD22 ASN 28 3.535 11.112 -12.014 96 2HD2 ASN 28 HD21 ASN 28 3.263 10.637 -10.379 97 H ILE 29 H ILE 29 -0.840 8.017 -9.507 98 HA ILE 29 HA ILE 29 0.531 6.159 -10.336 99 HB ILE 29 HB ILE 29 -2.369 6.375 -9.953 100 1HG1 ILE 29 HG12 ILE 29 -1.929 3.775 -9.303 101 2HG1 ILE 29 HG11 ILE 29 -0.267 4.391 -9.148 102 1HG2 ILE 29 HG21 ILE 29 -1.789 4.294 -12.101 103 2HG2 ILE 29 HG23 ILE 29 -3.285 4.395 -11.140 104 3HG2 ILE 29 HG22 ILE 29 -2.803 5.748 -12.179 105 1HD1 ILE 29 HD11 ILE 29 -2.762 5.520 -7.708 106 2HD1 ILE 29 HD13 ILE 29 -1.517 4.476 -6.981 107 3HD1 ILE 29 HD12 ILE 29 -1.087 6.111 -7.538 108 H THR 30 H THR 30 1.183 4.648 -12.010 109 HA THR 30 HA THR 30 0.370 5.454 -14.763 110 HB THR 30 HB THR 30 2.363 6.554 -14.948 111 HG1 THR 30 HG1 THR 30 3.871 4.993 -15.882 112 1HG2 THR 30 HG23 THR 30 3.104 6.288 -12.563 113 2HG2 THR 30 HG22 THR 30 3.679 4.644 -13.004 114 3HG2 THR 30 HG21 THR 30 4.449 6.077 -13.719 115 H ASN 31 H ASN 31 2.258 2.696 -13.063 116 HA ASN 31 HA ASN 31 0.580 0.905 -14.810 117 1HB ASN 31 HB2 ASN 31 3.538 1.302 -14.915 118 2HB ASN 31 HB1 ASN 31 3.069 -0.388 -14.639 119 1HD2 ASN 31 HD22 ASN 31 2.038 1.395 -18.236 120 2HD2 ASN 31 HD21 ASN 31 2.472 2.414 -16.908 121 H LEU 32 H LEU 32 -0.498 -0.609 -13.481 122 HA LEU 32 HA LEU 32 0.918 -1.388 -10.971 123 1HB LEU 32 HB2 LEU 32 -2.008 -0.994 -10.587 124 2HB LEU 32 HB1 LEU 32 -0.645 -0.532 -9.553 125 HG LEU 32 HG LEU 32 -2.107 1.309 -10.075 126 1HD1 LEU 32 HD11 LEU 32 0.786 1.586 -11.001 127 2HD1 LEU 32 HD13 LEU 32 -0.323 2.940 -10.996 128 3HD1 LEU 32 HD12 LEU 32 0.014 2.028 -9.490 129 1HD2 LEU 32 HD21 LEU 32 -2.577 0.388 -12.531 130 2HD2 LEU 32 HD23 LEU 32 -2.724 2.111 -12.142 131 3HD2 LEU 32 HD22 LEU 32 -1.277 1.545 -12.996 132 H ASP 33 H ASP 33 -0.735 -3.188 -9.875 133 HA ASP 33 HA ASP 33 -2.218 -4.663 -11.923 134 1HB ASP 33 HB2 ASP 33 0.616 -5.268 -11.478 135 2HB ASP 33 HB1 ASP 33 -0.387 -6.667 -10.996 136 H ALA 34 H ALA 34 -3.897 -4.021 -10.372 137 HA ALA 34 HA ALA 34 -3.738 -4.925 -7.650 138 1HB ALA 34 HB3 ALA 34 -5.225 -3.054 -8.293 139 2HB ALA 34 HB2 ALA 34 -6.233 -4.170 -9.259 140 3HB ALA 34 HB1 ALA 34 -6.149 -4.352 -7.485 141 H CYS 35 H CYS 35 -4.988 -6.767 -6.614 142 HA CYS 35 HA CYS 35 -6.529 -8.540 -8.202 143 1HB CYS 35 HB2 CYS 35 -3.625 -8.865 -8.513 144 2HB CYS 35 HB1 CYS 35 -4.262 -10.310 -7.690 145 HG CYS 35 HG CYS 35 -4.293 -10.587 -10.219 146 H ILE 36 H ILE 36 -6.599 -10.913 -7.115 147 HA ILE 36 HA ILE 36 -8.085 -10.561 -5.005 148 HB ILE 36 HB ILE 36 -7.812 -12.799 -4.131 149 1HG1 ILE 36 HG12 ILE 36 -5.506 -13.465 -4.156 150 2HG1 ILE 36 HG11 ILE 36 -6.381 -14.528 -5.244 151 1HG2 ILE 36 HG22 ILE 36 -9.209 -12.347 -6.162 152 2HG2 ILE 36 HG21 ILE 36 -7.866 -12.875 -7.213 153 3HG2 ILE 36 HG23 ILE 36 -8.608 -14.020 -6.074 154 1HD1 ILE 36 HD11 ILE 36 -4.630 -12.199 -6.255 155 2HD1 ILE 36 HD13 ILE 36 -4.180 -13.913 -6.159 156 3HD1 ILE 36 HD12 ILE 36 -5.496 -13.395 -7.254 157 H THR 37 H THR 37 -4.585 -11.433 -4.146 158 HA THR 37 HA THR 37 -4.974 -9.631 -1.834 159 HB THR 37 HB THR 37 -4.020 -12.546 -1.744 160 HG1 THR 37 HG1 THR 37 -6.346 -12.263 -1.682 161 1HG2 THR 37 HG22 THR 37 -4.122 -10.314 0.384 162 2HG2 THR 37 HG21 THR 37 -4.032 -12.055 0.791 163 3HG2 THR 37 HG23 THR 37 -2.695 -11.291 -0.107 164 H ARG 38 H ARG 38 -3.857 -9.163 -4.497 165 HA ARG 38 HA ARG 38 -0.938 -8.983 -3.895 166 1HB ARG 38 HB2 ARG 38 -1.249 -11.055 -5.135 167 2HB ARG 38 HB1 ARG 38 -2.342 -10.272 -6.288 168 1HG ARG 38 HG2 ARG 38 0.272 -8.866 -6.259 169 2HG ARG 38 HG1 ARG 38 0.552 -10.603 -6.530 170 1HD ARG 38 HD2 ARG 38 -1.341 -8.844 -8.146 171 2HD ARG 38 HD1 ARG 38 0.265 -9.280 -8.687 172 HE ARG 38 HE ARG 38 -2.142 -10.979 -8.679 173 1HH1 ARG 38 HH11 ARG 38 1.477 -11.118 -8.654 174 2HH1 ARG 38 HH12 ARG 38 1.475 -12.747 -9.288 175 1HH2 ARG 38 HH21 ARG 38 -2.014 -13.066 -9.443 176 2HH2 ARG 38 HH22 ARG 38 -0.452 -13.832 -9.727 177 H LEU 39 H LEU 39 -0.590 -6.689 -4.150 178 HA LEU 39 HA LEU 39 -1.957 -5.477 -6.452 179 1HB LEU 39 HB2 LEU 39 -2.825 -3.538 -5.201 180 2HB LEU 39 HB1 LEU 39 -3.436 -5.082 -4.591 181 HG LEU 39 HG LEU 39 -1.398 -4.824 -2.823 182 1HD1 LEU 39 HD12 LEU 39 -0.615 -2.619 -3.912 183 2HD1 LEU 39 HD11 LEU 39 -2.135 -1.886 -3.371 184 3HD1 LEU 39 HD13 LEU 39 -0.975 -2.504 -2.158 185 1HD2 LEU 39 HD21 LEU 39 -3.883 -4.957 -2.232 186 2HD2 LEU 39 HD23 LEU 39 -2.995 -3.827 -1.192 187 3HD2 LEU 39 HD22 LEU 39 -4.032 -3.217 -2.513 188 H ARG 40 H ARG 40 -0.733 -3.991 -7.720 189 HA ARG 40 HA ARG 40 1.999 -3.528 -6.547 190 1HB ARG 40 HB2 ARG 40 1.766 -3.666 -9.448 191 2HB ARG 40 HB1 ARG 40 3.169 -4.109 -8.498 192 1HG ARG 40 HG2 ARG 40 0.690 -5.642 -9.204 193 2HG ARG 40 HG1 ARG 40 2.353 -5.920 -9.803 194 1HD ARG 40 HD2 ARG 40 0.787 -7.078 -7.557 195 2HD ARG 40 HD1 ARG 40 1.972 -7.779 -8.684 196 HE ARG 40 HE ARG 40 2.652 -6.263 -6.165 197 1HH1 ARG 40 HH11 ARG 40 2.940 -9.471 -7.896 198 2HH1 ARG 40 HH12 ARG 40 3.780 -10.158 -6.537 199 1HH2 ARG 40 HH21 ARG 40 3.731 -7.345 -4.531 200 2HH2 ARG 40 HH22 ARG 40 4.286 -8.986 -4.739 201 H VAL 41 H VAL 41 3.285 -1.779 -7.652 202 HA VAL 41 HA VAL 41 1.568 0.348 -8.634 203 HB VAL 41 HB VAL 41 2.910 1.480 -6.272 204 1HG1 VAL 41 HG12 VAL 41 1.134 2.620 -7.550 205 2HG1 VAL 41 HG11 VAL 41 -0.041 1.377 -7.028 206 3HG1 VAL 41 HG13 VAL 41 0.716 2.458 -5.826 207 1HG2 VAL 41 HG21 VAL 41 2.510 -0.812 -5.208 208 2HG2 VAL 41 HG23 VAL 41 1.671 0.541 -4.422 209 3HG2 VAL 41 HG22 VAL 41 0.761 -0.556 -5.452 210 H SER 42 H SER 42 3.041 0.293 -10.501 211 HA SER 42 HA SER 42 5.914 0.759 -9.848 212 1HB SER 42 HB2 SER 42 5.488 -0.983 -11.546 213 2HB SER 42 HB1 SER 42 4.539 0.159 -12.536 214 HG SER 42 HG SER 42 6.747 0.103 -13.279 215 H VAL 43 H VAL 43 6.282 2.970 -9.297 216 HA VAL 43 HA VAL 43 5.437 4.862 -11.440 217 HB VAL 43 HB VAL 43 4.454 6.327 -9.774 218 1HG1 VAL 43 HG12 VAL 43 3.089 4.354 -10.714 219 2HG1 VAL 43 HG11 VAL 43 3.302 3.528 -9.158 220 3HG1 VAL 43 HG13 VAL 43 2.391 5.060 -9.273 221 1HG2 VAL 43 HG21 VAL 43 6.084 5.591 -7.826 222 2HG2 VAL 43 HG23 VAL 43 4.417 5.898 -7.368 223 3HG2 VAL 43 HG22 VAL 43 4.993 4.217 -7.565 224 H ALA 44 H ALA 44 6.326 7.100 -11.171 225 HA ALA 44 HA ALA 44 9.156 6.897 -10.300 226 1HB ALA 44 HB3 ALA 44 8.622 7.906 -12.529 227 2HB ALA 44 HB2 ALA 44 7.668 9.183 -11.713 228 3HB ALA 44 HB1 ALA 44 9.431 9.058 -11.423 229 H ASP 45 H ASP 45 6.123 7.774 -8.747 230 HA ASP 45 HA ASP 45 7.296 9.855 -7.095 231 1HB ASP 45 HB2 ASP 45 4.970 8.016 -6.350 232 2HB ASP 45 HB1 ASP 45 5.424 9.563 -5.600 233 H VAL 46 H VAL 46 9.460 8.286 -7.093 234 HA VAL 46 HA VAL 46 9.235 6.542 -4.694 235 HB VAL 46 HB VAL 46 10.273 5.624 -6.799 236 1HG1 VAL 46 HG12 VAL 46 11.625 7.577 -7.554 237 2HG1 VAL 46 HG11 VAL 46 12.635 7.493 -6.083 238 3HG1 VAL 46 HG13 VAL 46 12.669 6.167 -7.271 239 1HG2 VAL 46 HG21 VAL 46 10.642 4.549 -4.575 240 2HG2 VAL 46 HG23 VAL 46 12.077 4.407 -5.613 241 3HG2 VAL 46 HG22 VAL 46 12.067 5.587 -4.282 242 H SER 47 H SER 47 9.158 9.724 -4.955 243 HA SER 47 HA SER 47 11.680 10.712 -4.252 244 1HB SER 47 HB2 SER 47 10.052 12.252 -5.043 245 2HB SER 47 HB1 SER 47 8.868 11.814 -3.800 246 HG SER 47 HG SER 47 11.359 13.146 -3.239 247 H LYS 48 H LYS 48 9.043 10.877 -1.728 248 HA LYS 48 HA LYS 48 11.070 9.746 0.202 249 1HB LYS 48 HB2 LYS 48 9.749 10.894 1.982 250 2HB LYS 48 HB1 LYS 48 10.474 12.012 0.809 251 1HG LYS 48 HG2 LYS 48 8.148 12.629 1.553 252 2HG LYS 48 HG1 LYS 48 8.340 12.536 -0.212 253 1HD LYS 48 HD2 LYS 48 7.188 10.355 -0.269 254 2HD LYS 48 HD1 LYS 48 7.081 10.309 1.523 255 1HE LYS 48 HE2 LYS 48 5.751 12.422 -0.325 256 2HE LYS 48 HE1 LYS 48 4.950 10.949 0.282 257 1HZ LYS 48 HZ2 LYS 48 5.302 11.740 2.601 258 2HZ LYS 48 HZ1 LYS 48 5.952 13.241 1.990 259 3HZ LYS 48 HZ3 LYS 48 4.307 12.797 1.662 260 H VAL 49 H VAL 49 8.665 8.527 -1.699 261 HA VAL 49 HA VAL 49 6.588 7.671 -0.364 262 HB VAL 49 HB VAL 49 7.209 6.835 -2.608 263 1HG1 VAL 49 HG11 VAL 49 9.386 5.158 -1.219 264 2HG1 VAL 49 HG13 VAL 49 8.835 4.935 -2.900 265 3HG1 VAL 49 HG12 VAL 49 9.603 6.459 -2.373 266 1HG2 VAL 49 HG22 VAL 49 6.496 4.631 -0.557 267 2HG2 VAL 49 HG21 VAL 49 5.443 5.644 -1.548 268 3HG2 VAL 49 HG23 VAL 49 6.517 4.392 -2.300 269 H ASP 50 H ASP 50 5.959 6.238 1.425 270 HA ASP 50 HA ASP 50 8.322 5.363 3.059 271 1HB ASP 50 HB2 ASP 50 6.574 6.991 3.911 272 2HB ASP 50 HB1 ASP 50 5.420 5.635 3.940 273 H GLN 51 H GLN 51 8.058 3.869 0.875 274 HA GLN 51 HA GLN 51 6.225 1.676 0.959 275 1HB GLN 51 HB2 GLN 51 8.457 0.339 -0.102 276 2HB GLN 51 HB1 GLN 51 7.220 1.184 -1.052 277 1HG GLN 51 HG2 GLN 51 8.465 3.134 -1.210 278 2HG GLN 51 HG1 GLN 51 9.663 2.642 0.045 279 1HE2 GLN 51 HE22 GLN 51 11.955 1.832 -2.427 280 2HE2 GLN 51 HE21 GLN 51 11.702 2.294 -0.809 281 H ALA 52 H ALA 52 9.490 2.144 2.466 282 HA ALA 52 HA ALA 52 9.746 -0.418 3.556 283 1HB ALA 52 HB3 ALA 52 11.538 1.326 3.734 284 2HB ALA 52 HB2 ALA 52 10.516 2.264 4.872 285 3HB ALA 52 HB1 ALA 52 11.147 0.651 5.346 286 H GLY 53 H GLY 53 7.650 2.325 4.680 287 1HA GLY 53 HA1 GLY 53 6.657 0.698 6.942 288 2HA GLY 53 HA2 GLY 53 5.984 2.247 6.367 289 H LEU 54 H LEU 54 5.620 1.592 3.538 290 HA LEU 54 HA LEU 54 2.996 0.821 4.026 291 1HB LEU 54 HB2 LEU 54 4.037 2.137 2.005 292 2HB LEU 54 HB1 LEU 54 4.126 0.578 1.170 293 HG LEU 54 HG LEU 54 1.442 1.189 2.409 294 1HD1 LEU 54 HD11 LEU 54 2.674 3.285 0.722 295 2HD1 LEU 54 HD13 LEU 54 1.007 2.765 0.234 296 3HD1 LEU 54 HD12 LEU 54 1.407 3.386 1.842 297 1HD2 LEU 54 HD21 LEU 54 1.724 -0.775 0.872 298 2HD2 LEU 54 HD23 LEU 54 0.523 0.387 0.274 299 3HD2 LEU 54 HD22 LEU 54 2.149 0.334 -0.451 300 H LYS 55 H LYS 55 5.767 -1.259 3.197 301 HA LYS 55 HA LYS 55 4.036 -3.371 2.342 302 1HB LYS 55 HB2 LYS 55 5.837 -4.845 2.321 303 2HB LYS 55 HB1 LYS 55 6.698 -3.309 2.027 304 1HG LYS 55 HG2 LYS 55 6.501 -4.863 4.697 305 2HG LYS 55 HG1 LYS 55 7.760 -5.104 3.509 306 1HD LYS 55 HD2 LYS 55 7.646 -2.228 4.052 307 2HD LYS 55 HD1 LYS 55 7.751 -3.126 5.583 308 1HE LYS 55 HE2 LYS 55 9.983 -2.571 4.788 309 2HE LYS 55 HE1 LYS 55 9.804 -4.339 4.691 310 1HZ LYS 55 HZ1 LYS 55 9.390 -2.493 2.312 311 2HZ LYS 55 HZ3 LYS 55 10.897 -3.237 2.703 312 3HZ LYS 55 HZ2 LYS 55 9.552 -4.238 2.287 313 H LYS 56 H LYS 56 5.307 -2.542 5.513 314 HA LYS 56 HA LYS 56 3.720 -4.841 6.616 315 1HB LYS 56 HB2 LYS 56 5.045 -4.656 8.626 316 2HB LYS 56 HB1 LYS 56 6.072 -4.715 7.179 317 1HG LYS 56 HG2 LYS 56 6.150 -2.025 7.430 318 2HG LYS 56 HG1 LYS 56 5.483 -2.322 9.029 319 1HD LYS 56 HD2 LYS 56 8.041 -3.706 7.938 320 2HD LYS 56 HD1 LYS 56 8.119 -2.089 8.660 321 1HE LYS 56 HE2 LYS 56 6.906 -4.448 10.202 322 2HE LYS 56 HE1 LYS 56 8.661 -4.144 10.170 323 1HZ LYS 56 HZ1 LYS 56 6.635 -2.081 11.092 324 2HZ LYS 56 HZ3 LYS 56 7.612 -3.082 12.122 325 3HZ LYS 56 HZ2 LYS 56 8.366 -1.918 11.084 326 H LEU 57 H LEU 57 3.261 -1.470 6.034 327 HA LEU 57 HA LEU 57 1.259 -1.393 8.230 328 1HB LEU 57 HB2 LEU 57 3.401 0.270 7.878 329 2HB LEU 57 HB1 LEU 57 2.217 1.075 6.819 330 HG LEU 57 HG LEU 57 2.124 0.504 9.858 331 1HD1 LEU 57 HD12 LEU 57 3.497 2.514 9.027 332 2HD1 LEU 57 HD11 LEU 57 1.975 3.205 8.386 333 3HD1 LEU 57 HD13 LEU 57 2.156 2.951 10.131 334 1HD2 LEU 57 HD22 LEU 57 -0.115 1.713 8.126 335 2HD2 LEU 57 HD21 LEU 57 -0.169 0.216 9.121 336 3HD2 LEU 57 HD23 LEU 57 -0.037 1.778 9.924 337 H GLY 58 H GLY 58 1.614 -1.119 4.586 338 1HA GLY 58 HA1 GLY 58 -1.307 -0.389 4.486 339 2HA GLY 58 HA2 GLY 58 -0.152 -0.139 3.187 340 H ALA 59 H ALA 59 1.221 -2.506 2.812 341 HA ALA 59 HA ALA 59 -0.961 -4.502 2.358 342 1HB ALA 59 HB3 ALA 59 0.244 -3.425 0.367 343 2HB ALA 59 HB2 ALA 59 1.759 -4.195 0.933 344 3HB ALA 59 HB1 ALA 59 0.380 -5.192 0.386 345 H ALA 60 H ALA 60 1.226 -6.629 2.092 346 HA ALA 60 HA ALA 60 2.342 -6.658 4.864 347 1HB ALA 60 HB3 ALA 60 0.044 -7.762 4.817 348 2HB ALA 60 HB2 ALA 60 0.777 -9.071 3.828 349 3HB ALA 60 HB1 ALA 60 1.418 -8.730 5.454 350 H GLY 61 H GLY 61 3.795 -6.079 2.582 351 1HA GLY 61 HA1 GLY 61 6.061 -7.379 2.555 352 2HA GLY 61 HA2 GLY 61 5.113 -8.661 1.773 353 H VAL 62 H VAL 62 7.154 -6.133 0.871 354 HA VAL 62 HA VAL 62 5.812 -6.131 -1.716 355 HB VAL 62 HB VAL 62 5.739 -3.759 -2.121 356 1HG1 VAL 62 HG11 VAL 62 4.595 -4.490 0.496 357 2HG1 VAL 62 HG13 VAL 62 5.009 -2.736 0.382 358 3HG1 VAL 62 HG12 VAL 62 3.909 -3.488 -0.712 359 1HG2 VAL 62 HG22 VAL 62 7.822 -3.471 0.062 360 2HG2 VAL 62 HG21 VAL 62 7.939 -3.097 -1.677 361 3HG2 VAL 62 HG23 VAL 62 6.970 -2.046 -0.622 362 H VAL 63 H VAL 63 7.376 -5.139 -3.456 363 HA VAL 63 HA VAL 63 10.178 -5.717 -2.617 364 HB VAL 63 HB VAL 63 10.374 -7.579 -3.900 365 1HG1 VAL 63 HG12 VAL 63 8.072 -8.094 -3.152 366 2HG1 VAL 63 HG11 VAL 63 7.380 -7.314 -4.605 367 3HG1 VAL 63 HG13 VAL 63 8.399 -8.761 -4.778 368 1HG2 VAL 63 HG22 VAL 63 9.174 -6.013 -6.240 369 2HG2 VAL 63 HG21 VAL 63 10.902 -6.190 -5.828 370 3HG2 VAL 63 HG23 VAL 63 9.953 -7.612 -6.351 371 H VAL 64 H VAL 64 11.692 -4.276 -3.705 372 HA VAL 64 HA VAL 64 10.284 -2.165 -5.314 373 HB VAL 64 HB VAL 64 12.756 -1.949 -3.535 374 1HG1 VAL 64 HG12 VAL 64 12.569 -0.382 -5.593 375 2HG1 VAL 64 HG11 VAL 64 11.112 0.311 -4.827 376 3HG1 VAL 64 HG13 VAL 64 12.709 0.422 -4.027 377 1HG2 VAL 64 HG21 VAL 64 10.676 -2.324 -2.166 378 2HG2 VAL 64 HG23 VAL 64 11.318 -0.675 -1.949 379 3HG2 VAL 64 HG22 VAL 64 9.887 -0.951 -2.980 380 H ALA 65 H ALA 65 10.932 -2.359 -7.523 381 HA ALA 65 HA ALA 65 13.767 -3.292 -8.023 382 1HB ALA 65 HB2 ALA 65 11.197 -3.956 -9.598 383 2HB ALA 65 HB1 ALA 65 12.854 -4.454 -10.031 384 3HB ALA 65 HB3 ALA 65 12.085 -5.085 -8.544 385 H GLY 66 H GLY 66 14.818 -1.277 -8.839 386 1HA GLY 66 HA1 GLY 66 13.433 0.970 -9.583 387 2HA GLY 66 HA2 GLY 66 14.994 0.555 -10.322 388 H SER 67 H SER 67 11.794 1.287 -11.207 389 HA SER 67 HA SER 67 11.265 1.118 -13.600 390 1HB SER 67 HB2 SER 67 11.070 -1.072 -14.715 391 2HB SER 67 HB1 SER 67 12.763 -0.675 -14.368 392 HG SER 67 HG SER 67 11.121 -2.490 -12.818 393 H GLY 68 H GLY 68 10.552 -0.866 -10.689 394 1HA GLY 68 HA1 GLY 68 7.957 0.016 -10.644 395 2HA GLY 68 HA2 GLY 68 7.906 -1.616 -11.410 396 H VAL 69 H VAL 69 6.555 -1.152 -8.947 397 HA VAL 69 HA VAL 69 8.315 -2.512 -6.935 398 HB VAL 69 HB VAL 69 6.313 -0.285 -6.532 399 1HG1 VAL 69 HG11 VAL 69 8.141 -1.627 -4.423 400 2HG1 VAL 69 HG13 VAL 69 7.159 -0.196 -4.114 401 3HG1 VAL 69 HG12 VAL 69 6.369 -1.736 -4.524 402 1HG2 VAL 69 HG22 VAL 69 9.371 -0.197 -6.540 403 2HG2 VAL 69 HG21 VAL 69 8.234 0.756 -7.535 404 3HG2 VAL 69 HG23 VAL 69 8.395 1.096 -5.791 405 H GLN 70 H GLN 70 6.984 -3.895 -5.486 406 HA GLN 70 HA GLN 70 4.303 -4.583 -6.645 407 1HB GLN 70 HB2 GLN 70 6.930 -6.030 -6.692 408 2HB GLN 70 HB1 GLN 70 5.555 -7.038 -6.298 409 1HG GLN 70 HG2 GLN 70 4.578 -6.771 -8.477 410 2HG GLN 70 HG1 GLN 70 5.386 -5.215 -8.763 411 1HE2 GLN 70 HE22 GLN 70 7.474 -8.639 -9.653 412 2HE2 GLN 70 HE21 GLN 70 6.025 -8.788 -8.723 413 H ALA 71 H ALA 71 2.864 -4.456 -4.896 414 HA ALA 71 HA ALA 71 3.831 -5.164 -2.253 415 1HB ALA 71 HB2 ALA 71 1.456 -3.411 -3.310 416 2HB ALA 71 HB1 ALA 71 1.713 -3.747 -1.607 417 3HB ALA 71 HB3 ALA 71 2.932 -2.850 -2.596 418 H ILE 72 H ILE 72 2.417 -6.451 -0.824 419 HA ILE 72 HA ILE 72 0.497 -8.150 -2.283 420 HB ILE 72 HB ILE 72 3.062 -9.049 -2.273 421 1HG1 ILE 72 HG12 ILE 72 1.910 -11.541 -1.996 422 2HG1 ILE 72 HG11 ILE 72 0.437 -10.578 -2.104 423 1HG2 ILE 72 HG22 ILE 72 3.211 -9.057 0.300 424 2HG2 ILE 72 HG21 ILE 72 2.035 -10.368 0.303 425 3HG2 ILE 72 HG23 ILE 72 3.604 -10.586 -0.494 426 1HD1 ILE 72 HD12 ILE 72 1.472 -9.565 -4.300 427 2HD1 ILE 72 HD11 ILE 72 2.779 -10.762 -4.114 428 3HD1 ILE 72 HD13 ILE 72 1.112 -11.326 -4.343 429 H PHE 73 H PHE 73 -1.221 -8.972 -0.677 430 HA PHE 73 HA PHE 73 -0.461 -8.242 2.126 431 1HB PHE 73 HB2 PHE 73 -2.378 -6.983 2.570 432 2HB PHE 73 HB1 PHE 73 -1.676 -6.334 1.072 433 HD1 PHE 73 HD2 PHE 73 -2.665 -7.122 -1.220 434 HD2 PHE 73 HD1 PHE 73 -4.736 -7.340 2.551 435 HE1 PHE 73 HE2 PHE 73 -4.840 -7.192 -2.401 436 HE2 PHE 73 HE1 PHE 73 -6.896 -7.493 1.365 437 HZ PHE 73 HZ PHE 73 -6.960 -7.421 -1.124 438 H GLY 74 H GLY 74 -0.109 -10.775 1.091 439 1HA GLY 74 HA1 GLY 74 -2.364 -12.267 2.399 440 2HA GLY 74 HA2 GLY 74 -1.269 -12.898 1.140 441 H THR 75 H THR 75 -0.938 -11.094 4.196 442 HA THR 75 HA THR 75 0.174 -13.470 5.547 443 HB THR 75 HB THR 75 1.967 -11.101 4.965 444 HG1 THR 75 HG1 THR 75 3.173 -12.928 4.028 445 1HG2 THR 75 HG22 THR 75 2.116 -13.203 7.214 446 2HG2 THR 75 HG21 THR 75 3.636 -12.805 6.373 447 3HG2 THR 75 HG23 THR 75 2.743 -11.526 7.177 448 H LYS 76 H LYS 76 -0.608 -9.855 5.970 449 HA LYS 76 HA LYS 76 -2.379 -10.882 8.137 450 1HB LYS 76 HB2 LYS 76 -0.458 -8.480 8.243 451 2HB LYS 76 HB1 LYS 76 -1.873 -8.708 9.320 452 1HG LYS 76 HG2 LYS 76 -0.190 -9.487 10.706 453 2HG LYS 76 HG1 LYS 76 -0.751 -10.985 9.943 454 1HD LYS 76 HD2 LYS 76 1.497 -11.289 9.533 455 2HD LYS 76 HD1 LYS 76 1.242 -10.184 8.150 456 1HE LYS 76 HE2 LYS 76 2.238 -9.331 10.950 457 2HE LYS 76 HE1 LYS 76 3.278 -9.641 9.540 458 1HZ LYS 76 HZ2 LYS 76 2.171 -7.810 8.328 459 2HZ LYS 76 HZ1 LYS 76 1.188 -7.456 9.734 460 3HZ LYS 76 HZ3 LYS 76 2.916 -7.269 9.806 461 H SER 77 H SER 77 -3.463 -10.668 5.567 462 HA SER 77 HA SER 77 -4.161 -8.112 4.767 463 1HB SER 77 HB2 SER 77 -6.216 -8.907 3.725 464 2HB SER 77 HB1 SER 77 -4.899 -10.077 3.468 465 HG SER 77 HG SER 77 -7.065 -10.422 5.307 466 H ASP 78 H ASP 78 -5.750 -10.161 7.350 467 HA ASP 78 HA ASP 78 -7.892 -8.343 7.784 468 1HB ASP 78 HB2 ASP 78 -6.579 -10.381 9.676 469 2HB ASP 78 HB1 ASP 78 -8.034 -9.443 10.104 470 H ASN 79 H ASN 79 -4.571 -8.460 9.313 471 HA ASN 79 HA ASN 79 -5.303 -6.451 11.270 472 1HB ASN 79 HB2 ASN 79 -3.201 -8.096 11.211 473 2HB ASN 79 HB1 ASN 79 -2.417 -6.732 10.358 474 1HD2 ASN 79 HD22 ASN 79 -3.511 -6.451 14.366 475 2HD2 ASN 79 HD21 ASN 79 -4.311 -7.603 13.358 476 H LEU 80 H LEU 80 -3.812 -6.430 7.970 477 HA LEU 80 HA LEU 80 -3.291 -3.553 8.022 478 1HB LEU 80 HB2 LEU 80 -3.277 -5.684 5.821 479 2HB LEU 80 HB1 LEU 80 -3.028 -3.970 5.464 480 HG LEU 80 HG LEU 80 -0.956 -5.453 5.762 481 1HD1 LEU 80 HD12 LEU 80 -0.916 -2.913 5.699 482 2HD1 LEU 80 HD11 LEU 80 -1.038 -2.869 7.467 483 3HD1 LEU 80 HD13 LEU 80 0.396 -3.583 6.690 484 1HD2 LEU 80 HD21 LEU 80 -1.514 -6.536 7.961 485 2HD2 LEU 80 HD23 LEU 80 0.047 -5.705 7.977 486 3HD2 LEU 80 HD22 LEU 80 -1.375 -4.960 8.772 487 H LYS 81 H LYS 81 -6.090 -5.648 7.214 488 HA LYS 81 HA LYS 81 -7.478 -3.468 5.868 489 1HB LYS 81 HB2 LYS 81 -8.007 -5.952 5.490 490 2HB LYS 81 HB1 LYS 81 -8.628 -5.989 7.148 491 1HG LYS 81 HG2 LYS 81 -10.668 -5.393 6.231 492 2HG LYS 81 HG1 LYS 81 -10.005 -3.763 6.022 493 1HD LYS 81 HD2 LYS 81 -10.119 -6.052 3.944 494 2HD LYS 81 HD1 LYS 81 -11.048 -4.532 3.947 495 1HE LYS 81 HE2 LYS 81 -8.684 -3.361 3.817 496 2HE LYS 81 HE1 LYS 81 -8.085 -4.964 3.306 497 1HZ LYS 81 HZ2 LYS 81 -9.892 -4.907 1.507 498 2HZ LYS 81 HZ1 LYS 81 -10.215 -3.261 1.957 499 3HZ LYS 81 HZ3 LYS 81 -8.669 -3.664 1.326 500 H THR 82 H THR 82 -7.229 -4.856 9.258 501 HA THR 82 HA THR 82 -9.410 -3.462 10.369 502 HB THR 82 HB THR 82 -6.791 -4.470 11.573 503 HG1 THR 82 HG1 THR 82 -8.602 -5.938 11.132 504 1HG2 THR 82 HG22 THR 82 -8.957 -2.876 13.055 505 2HG2 THR 82 HG21 THR 82 -7.735 -3.925 13.842 506 3HG2 THR 82 HG23 THR 82 -7.207 -2.484 12.930 507 H GLU 83 H GLU 83 -5.892 -2.378 10.447 508 HA GLU 83 HA GLU 83 -6.459 0.186 11.390 509 1HB GLU 83 HB2 GLU 83 -4.364 0.949 10.333 510 2HB GLU 83 HB1 GLU 83 -4.133 -0.673 11.049 511 1HG GLU 83 HG2 GLU 83 -4.482 -1.705 8.765 512 2HG GLU 83 HG1 GLU 83 -4.687 -0.087 8.042 513 H MET 84 H MET 84 -6.935 -1.022 7.944 514 HA MET 84 HA MET 84 -7.238 1.686 6.954 515 1HB MET 84 HB2 MET 84 -8.144 -1.022 5.775 516 2HB MET 84 HB1 MET 84 -8.455 0.552 4.988 517 1HG MET 84 HG2 MET 84 -6.110 0.992 4.639 518 2HG MET 84 HG1 MET 84 -5.605 -0.312 5.753 519 1HE MET 84 HE1 MET 84 -7.670 0.367 2.418 520 2HE MET 84 HE3 MET 84 -7.636 -1.257 1.658 521 3HE MET 84 HE2 MET 84 -8.648 -0.975 3.104 522 H ASP 85 H ASP 85 -9.531 -0.992 7.998 523 HA ASP 85 HA ASP 85 -11.950 0.246 7.684 524 1HB ASP 85 HB2 ASP 85 -11.834 -1.973 8.646 525 2HB ASP 85 HB1 ASP 85 -11.063 -1.362 10.128 526 H GLU 86 H GLU 86 -9.633 0.723 10.469 527 HA GLU 86 HA GLU 86 -11.082 2.687 11.808 528 1HB GLU 86 HB2 GLU 86 -8.137 2.071 11.622 529 2HB GLU 86 HB1 GLU 86 -8.503 3.701 12.165 530 1HG GLU 86 HG2 GLU 86 -10.049 1.466 13.555 531 2HG GLU 86 HG1 GLU 86 -8.308 1.582 13.875 532 H TYR 87 H TYR 87 -8.915 3.239 8.900 533 HA TYR 87 HA TYR 87 -9.027 6.002 9.101 534 1HB TYR 87 HB1 TYR 87 -8.091 6.228 7.064 535 2HB TYR 87 HB2 TYR 87 -7.884 4.436 7.231 536 HD1 TYR 87 HD2 TYR 87 -10.187 7.120 5.854 537 HD2 TYR 87 HD1 TYR 87 -8.527 3.187 5.271 538 HE1 TYR 87 HE2 TYR 87 -11.158 7.035 3.586 539 HE2 TYR 87 HE1 TYR 87 -9.437 3.141 2.986 540 HH TYR 87 HH TYR 87 -11.223 4.149 1.609 541 H ILE 88 H ILE 88 -11.336 3.829 7.342 542 HA ILE 88 HA ILE 88 -12.848 6.045 6.319 543 HB ILE 88 HB ILE 88 -13.984 3.226 6.805 544 1HG1 ILE 88 HG12 ILE 88 -13.271 3.496 4.024 545 2HG1 ILE 88 HG11 ILE 88 -11.878 4.089 4.932 546 1HG2 ILE 88 HG22 ILE 88 -15.652 5.055 6.259 547 2HG2 ILE 88 HG21 ILE 88 -14.717 5.446 4.786 548 3HG2 ILE 88 HG23 ILE 88 -15.528 3.859 4.942 549 1HD1 ILE 88 HD12 ILE 88 -11.779 1.933 6.200 550 2HD1 ILE 88 HD11 ILE 88 -13.169 1.323 5.273 551 3HD1 ILE 88 HD13 ILE 88 -11.615 1.688 4.456 552 H ARG 89 H ARG 89 -13.121 3.930 9.269 553 HA ARG 89 HA ARG 89 -15.520 5.184 10.208 554 1HB ARG 89 HB2 ARG 89 -13.247 3.903 11.844 555 2HB ARG 89 HB1 ARG 89 -14.888 4.243 12.418 556 1HG ARG 89 HG2 ARG 89 -15.139 2.642 9.945 557 2HG ARG 89 HG1 ARG 89 -13.921 1.858 10.974 558 1HD ARG 89 HD2 ARG 89 -16.740 2.686 11.723 559 2HD ARG 89 HD1 ARG 89 -16.219 0.985 11.470 560 HE ARG 89 HE ARG 89 -14.432 1.761 13.385 561 1HH1 ARG 89 HH11 ARG 89 -18.042 1.921 13.317 562 2HH1 ARG 89 HH12 ARG 89 -18.126 1.999 15.070 563 1HH2 ARG 89 HH21 ARG 89 -14.660 1.808 15.600 564 2HH2 ARG 89 HH22 ARG 89 -16.258 1.894 16.342 565 H ASN 90 H ASN 90 -12.059 6.098 10.408 566 HA ASN 90 HA ASN 90 -12.566 8.278 12.310 567 1HB ASN 90 HB2 ASN 90 -10.416 7.101 12.392 568 2HB ASN 90 HB1 ASN 90 -10.095 7.452 10.686 569 1HD2 ASN 90 HD22 ASN 90 -8.749 10.686 11.298 570 2HD2 ASN 90 HD21 ASN 90 -9.116 9.487 10.116 571 H PHE 91 H PHE 91 -12.743 7.878 8.770 572 HA PHE 91 HA PHE 91 -13.039 10.863 8.564 573 1HB PHE 91 HB2 PHE 91 -10.869 9.322 7.577 574 2HB PHE 91 HB1 PHE 91 -11.921 9.438 6.165 575 HD1 PHE 91 HD1 PHE 91 -10.242 11.375 8.900 576 HD2 PHE 91 HD2 PHE 91 -12.011 11.643 4.984 577 HE1 PHE 91 HE1 PHE 91 -9.124 13.555 8.551 578 HE2 PHE 91 HE2 PHE 91 -10.936 13.854 4.658 579 HZ PHE 91 HZ PHE 91 -9.455 14.794 6.419 580 H GLY 92 H GLY 92 -15.187 9.018 9.135 581 1HA GLY 92 HA1 GLY 92 -16.329 7.985 6.729 582 2HA GLY 92 HA2 GLY 92 -17.230 8.323 8.228 No H/Q in entry = 582 Start of MODEL 11 1 H MET 15 H MET 15 -3.517 9.370 11.147 2 HA MET 15 HA MET 15 -1.906 8.878 9.358 3 1HB MET 15 HB2 MET 15 0.200 8.505 10.738 4 2HB MET 15 HB1 MET 15 -0.835 9.853 11.296 5 1HG MET 15 HG2 MET 15 -1.736 8.490 13.154 6 2HG MET 15 HG1 MET 15 -0.903 7.027 12.546 7 1HE MET 15 HE1 MET 15 -0.342 10.656 13.989 8 2HE MET 15 HE3 MET 15 1.397 10.607 14.429 9 3HE MET 15 HE2 MET 15 0.922 10.721 12.709 10 H ALA 16 H ALA 16 -2.844 6.035 11.414 11 HA ALA 16 HA ALA 16 -1.051 4.235 10.259 12 1HB ALA 16 HB3 ALA 16 -2.537 3.556 12.118 13 2HB ALA 16 HB2 ALA 16 -3.954 3.546 11.058 14 3HB ALA 16 HB1 ALA 16 -2.644 2.413 10.762 15 HA PRO 17 HA PRO 17 -3.593 3.813 6.389 16 1HB PRO 17 HB2 PRO 17 -5.839 5.195 5.806 17 2HB PRO 17 HB1 PRO 17 -5.868 3.918 7.082 18 1HG PRO 17 HG2 PRO 17 -5.528 6.930 7.545 19 2HG PRO 17 HG1 PRO 17 -6.736 5.861 8.321 20 1HD PRO 17 HD2 PRO 17 -4.332 6.502 9.499 21 2HD PRO 17 HD1 PRO 17 -5.107 4.889 9.729 22 H ALA 18 H ALA 18 -3.167 7.343 7.399 23 HA ALA 18 HA ALA 18 -3.045 8.492 4.834 24 1HB ALA 18 HB2 ALA 18 -0.965 8.870 7.097 25 2HB ALA 18 HB1 ALA 18 -1.201 9.955 5.696 26 3HB ALA 18 HB3 ALA 18 -2.485 9.814 6.936 27 H LEU 19 H LEU 19 -0.889 6.152 6.530 28 HA LEU 19 HA LEU 19 1.187 6.251 4.682 29 1HB LEU 19 HB2 LEU 19 0.930 4.913 6.953 30 2HB LEU 19 HB1 LEU 19 0.385 3.582 5.899 31 HG LEU 19 HG LEU 19 2.707 3.215 6.252 32 1HD1 LEU 19 HD12 LEU 19 2.100 3.206 3.839 33 2HD1 LEU 19 HD11 LEU 19 2.729 4.869 3.642 34 3HD1 LEU 19 HD13 LEU 19 3.839 3.567 4.083 35 1HD2 LEU 19 HD22 LEU 19 3.241 6.217 5.958 36 2HD2 LEU 19 HD21 LEU 19 3.330 5.231 7.445 37 3HD2 LEU 19 HD23 LEU 19 4.499 4.961 6.133 38 H VAL 20 H VAL 20 -1.655 3.738 4.539 39 HA VAL 20 HA VAL 20 -1.008 2.894 2.051 40 HB VAL 20 HB VAL 20 -2.868 1.783 3.059 41 1HG1 VAL 20 HG11 VAL 20 -4.482 4.396 2.676 42 2HG1 VAL 20 HG13 VAL 20 -5.231 2.814 2.974 43 3HG1 VAL 20 HG12 VAL 20 -4.157 3.496 4.190 44 1HG2 VAL 20 HG21 VAL 20 -2.654 1.765 0.515 45 2HG2 VAL 20 HG23 VAL 20 -4.308 1.429 1.087 46 3HG2 VAL 20 HG22 VAL 20 -3.910 3.042 0.453 47 H ALA 21 H ALA 21 -2.607 6.074 2.813 48 HA ALA 21 HA ALA 21 -3.282 6.596 0.114 49 1HB ALA 21 HB3 ALA 21 -4.200 7.956 2.005 50 2HB ALA 21 HB2 ALA 21 -2.586 8.696 2.250 51 3HB ALA 21 HB1 ALA 21 -3.473 8.983 0.728 52 H ALA 22 H ALA 22 -0.238 7.186 2.007 53 HA ALA 22 HA ALA 22 1.019 8.952 0.305 54 1HB ALA 22 HB3 ALA 22 1.979 8.222 2.496 55 2HB ALA 22 HB2 ALA 22 2.304 6.610 1.792 56 3HB ALA 22 HB1 ALA 22 3.196 8.047 1.197 57 H PHE 23 H PHE 23 0.463 5.506 -0.538 58 HA PHE 23 HA PHE 23 2.054 6.055 -3.039 59 1HB PHE 23 HB2 PHE 23 3.070 4.496 -1.340 60 2HB PHE 23 HB1 PHE 23 1.835 3.275 -1.931 61 HD1 PHE 23 HD1 PHE 23 3.305 5.240 -4.725 62 HD2 PHE 23 HD2 PHE 23 3.881 1.948 -1.976 63 HE1 PHE 23 HE1 PHE 23 5.395 4.599 -5.863 64 HE2 PHE 23 HE2 PHE 23 5.562 1.019 -3.480 65 HZ PHE 23 HZ PHE 23 6.406 2.375 -5.418 66 H GLY 24 H GLY 24 -0.487 3.714 -1.647 67 1HA GLY 24 HA1 GLY 24 -1.633 3.222 -4.206 68 2HA GLY 24 HA2 GLY 24 -2.451 3.006 -2.631 69 H GLY 25 H GLY 25 -2.055 5.928 -1.844 70 1HA GLY 25 HA1 GLY 25 -4.397 6.946 -3.373 71 2HA GLY 25 HA2 GLY 25 -3.711 7.662 -1.911 72 H LYS 26 H LYS 26 -1.064 7.032 -4.054 73 HA LYS 26 HA LYS 26 -0.840 9.895 -4.681 74 1HB LYS 26 HB2 LYS 26 0.638 7.433 -5.672 75 2HB LYS 26 HB1 LYS 26 1.054 9.103 -6.168 76 1HG LYS 26 HG2 LYS 26 1.024 8.079 -3.296 77 2HG LYS 26 HG1 LYS 26 2.459 7.954 -4.379 78 1HD LYS 26 HD2 LYS 26 1.952 10.629 -4.602 79 2HD LYS 26 HD1 LYS 26 1.314 10.398 -2.969 80 1HE LYS 26 HE2 LYS 26 3.447 10.273 -2.072 81 2HE LYS 26 HE1 LYS 26 4.017 9.087 -3.241 82 1HZ LYS 26 HZ2 LYS 26 4.369 10.838 -4.924 83 2HZ LYS 26 HZ1 LYS 26 3.879 12.047 -3.768 84 3HZ LYS 26 HZ3 LYS 26 5.312 11.098 -3.502 85 H GLU 27 H GLU 27 -3.053 10.043 -5.807 86 HA GLU 27 HA GLU 27 -3.803 8.212 -7.779 87 1HB GLU 27 HB2 GLU 27 -5.698 9.463 -7.911 88 2HB GLU 27 HB1 GLU 27 -4.968 10.644 -6.814 89 1HG GLU 27 HG2 GLU 27 -3.965 11.831 -8.837 90 2HG GLU 27 HG1 GLU 27 -4.912 10.719 -9.876 91 H ASN 28 H ASN 28 -1.550 10.997 -8.149 92 HA ASN 28 HA ASN 28 -1.424 11.232 -10.882 93 1HB ASN 28 HB2 ASN 28 -0.002 12.551 -9.331 94 2HB ASN 28 HB1 ASN 28 0.933 11.096 -8.898 95 1HD2 ASN 28 HD22 ASN 28 3.193 11.794 -11.598 96 2HD2 ASN 28 HD21 ASN 28 3.002 11.176 -9.998 97 H ILE 29 H ILE 29 -0.183 8.508 -8.972 98 HA ILE 29 HA ILE 29 1.518 7.110 -10.323 99 HB ILE 29 HB ILE 29 -1.215 6.448 -9.186 100 1HG1 ILE 29 HG12 ILE 29 -0.136 5.807 -7.281 101 2HG1 ILE 29 HG11 ILE 29 0.852 4.651 -8.094 102 1HG2 ILE 29 HG22 ILE 29 -1.359 4.902 -11.018 103 2HG2 ILE 29 HG21 ILE 29 0.208 4.189 -10.533 104 3HG2 ILE 29 HG23 ILE 29 -1.226 4.119 -9.438 105 1HD1 ILE 29 HD11 ILE 29 1.649 7.605 -7.836 106 2HD1 ILE 29 HD13 ILE 29 2.271 6.238 -6.864 107 3HD1 ILE 29 HD12 ILE 29 2.647 6.372 -8.572 108 H THR 30 H THR 30 1.808 5.350 -11.790 109 HA THR 30 HA THR 30 0.574 5.988 -14.394 110 HB THR 30 HB THR 30 2.462 4.813 -15.358 111 HG1 THR 30 HG1 THR 30 3.986 3.787 -13.905 112 1HG2 THR 30 HG22 THR 30 3.343 6.734 -13.077 113 2HG2 THR 30 HG21 THR 30 4.371 6.214 -14.431 114 3HG2 THR 30 HG23 THR 30 2.917 7.196 -14.747 115 H ASN 31 H ASN 31 1.615 2.816 -12.741 116 HA ASN 31 HA ASN 31 -0.924 1.583 -13.750 117 1HB ASN 31 HB2 ASN 31 1.909 0.983 -14.686 118 2HB ASN 31 HB1 ASN 31 0.792 -0.378 -14.488 119 1HD2 ASN 31 HD22 ASN 31 0.126 2.151 -17.635 120 2HD2 ASN 31 HD21 ASN 31 1.300 2.600 -16.449 121 H LEU 32 H LEU 32 -1.788 0.324 -12.033 122 HA LEU 32 HA LEU 32 0.166 -1.051 -10.168 123 1HB LEU 32 HB2 LEU 32 -2.575 0.258 -9.746 124 2HB LEU 32 HB1 LEU 32 -1.985 -0.981 -8.612 125 HG LEU 32 HG LEU 32 -0.324 0.395 -7.696 126 1HD1 LEU 32 HD11 LEU 32 -0.488 2.063 -10.225 127 2HD1 LEU 32 HD13 LEU 32 0.502 2.517 -8.784 128 3HD1 LEU 32 HD12 LEU 32 0.919 1.108 -9.713 129 1HD2 LEU 32 HD22 LEU 32 -2.573 2.338 -8.403 130 2HD2 LEU 32 HD21 LEU 32 -2.500 1.231 -7.004 131 3HD2 LEU 32 HD23 LEU 32 -1.333 2.572 -7.140 132 H ASP 33 H ASP 33 -0.918 -3.094 -9.221 133 HA ASP 33 HA ASP 33 -2.727 -4.414 -11.229 134 1HB ASP 33 HB2 ASP 33 0.127 -5.011 -10.624 135 2HB ASP 33 HB1 ASP 33 -0.932 -6.438 -10.515 136 H ALA 34 H ALA 34 -3.987 -3.317 -9.273 137 HA ALA 34 HA ALA 34 -3.803 -4.621 -6.768 138 1HB ALA 34 HB3 ALA 34 -4.954 -2.479 -6.969 139 2HB ALA 34 HB2 ALA 34 -6.249 -3.244 -7.944 140 3HB ALA 34 HB1 ALA 34 -6.020 -3.712 -6.228 141 H CYS 35 H CYS 35 -4.947 -6.439 -5.838 142 HA CYS 35 HA CYS 35 -6.995 -7.802 -7.310 143 1HB CYS 35 HB2 CYS 35 -5.802 -9.188 -8.702 144 2HB CYS 35 HB1 CYS 35 -4.304 -8.361 -8.202 145 HG CYS 35 HG CYS 35 -4.087 -10.843 -7.808 146 H ILE 36 H ILE 36 -7.570 -9.961 -6.208 147 HA ILE 36 HA ILE 36 -8.393 -9.876 -3.856 148 HB ILE 36 HB ILE 36 -7.637 -12.206 -3.195 149 1HG1 ILE 36 HG12 ILE 36 -5.568 -11.982 -4.987 150 2HG1 ILE 36 HG11 ILE 36 -6.263 -13.537 -4.486 151 1HG2 ILE 36 HG22 ILE 36 -9.815 -11.771 -4.181 152 2HG2 ILE 36 HG21 ILE 36 -9.158 -11.818 -5.832 153 3HG2 ILE 36 HG23 ILE 36 -9.153 -13.290 -4.817 154 1HD1 ILE 36 HD11 ILE 36 -6.984 -12.068 -7.114 155 2HD1 ILE 36 HD13 ILE 36 -5.816 -13.391 -6.933 156 3HD1 ILE 36 HD12 ILE 36 -7.530 -13.681 -6.591 157 H THR 37 H THR 37 -5.278 -11.480 -2.879 158 HA THR 37 HA THR 37 -4.970 -9.221 -0.973 159 HB THR 37 HB THR 37 -5.200 -11.428 0.100 160 HG1 THR 37 HG1 THR 37 -3.212 -11.077 1.303 161 1HG2 THR 37 HG22 THR 37 -2.721 -12.190 -1.565 162 2HG2 THR 37 HG21 THR 37 -3.238 -13.056 -0.094 163 3HG2 THR 37 HG23 THR 37 -4.293 -13.050 -1.518 164 H ARG 38 H ARG 38 -4.023 -9.456 -4.073 165 HA ARG 38 HA ARG 38 -1.113 -9.043 -3.482 166 1HB ARG 38 HB2 ARG 38 -2.187 -10.989 -5.049 167 2HB ARG 38 HB1 ARG 38 -2.218 -9.668 -6.220 168 1HG ARG 38 HG2 ARG 38 -0.073 -10.127 -6.785 169 2HG ARG 38 HG1 ARG 38 0.461 -9.606 -5.172 170 1HD ARG 38 HD2 ARG 38 0.151 -11.888 -4.337 171 2HD ARG 38 HD1 ARG 38 -0.511 -12.448 -5.901 172 HE ARG 38 HE ARG 38 1.713 -11.680 -6.959 173 1HH1 ARG 38 HH11 ARG 38 1.503 -13.441 -3.759 174 2HH1 ARG 38 HH12 ARG 38 3.082 -14.143 -4.017 175 1HH2 ARG 38 HH21 ARG 38 3.660 -12.712 -7.142 176 2HH2 ARG 38 HH22 ARG 38 4.266 -13.758 -5.869 177 H LEU 39 H LEU 39 -0.421 -6.857 -4.035 178 HA LEU 39 HA LEU 39 -1.843 -5.526 -6.175 179 1HB LEU 39 HB2 LEU 39 -2.572 -3.523 -5.124 180 2HB LEU 39 HB1 LEU 39 -3.135 -4.858 -4.099 181 HG LEU 39 HG LEU 39 -0.922 -4.250 -2.691 182 1HD1 LEU 39 HD12 LEU 39 -0.165 -2.465 -4.380 183 2HD1 LEU 39 HD11 LEU 39 -1.609 -1.515 -3.975 184 3HD1 LEU 39 HD13 LEU 39 -0.372 -1.822 -2.725 185 1HD2 LEU 39 HD22 LEU 39 -3.478 -2.469 -2.646 186 2HD2 LEU 39 HD21 LEU 39 -3.292 -4.010 -1.796 187 3HD2 LEU 39 HD23 LEU 39 -2.304 -2.623 -1.311 188 H ARG 40 H ARG 40 -0.536 -3.372 -6.801 189 HA ARG 40 HA ARG 40 2.318 -3.899 -6.165 190 1HB ARG 40 HB1 ARG 40 1.356 -3.983 -9.017 191 2HB ARG 40 HB2 ARG 40 2.918 -4.554 -8.494 192 1HG ARG 40 HG2 ARG 40 0.199 -6.039 -8.149 193 2HG ARG 40 HG1 ARG 40 1.471 -6.314 -9.366 194 1HD ARG 40 HD2 ARG 40 2.897 -6.771 -7.219 195 2HD ARG 40 HD1 ARG 40 1.383 -7.466 -6.599 196 HE ARG 40 HE ARG 40 1.495 -8.560 -9.103 197 1HH1 ARG 40 HH11 ARG 40 3.720 -8.595 -6.292 198 2HH1 ARG 40 HH12 ARG 40 4.569 -10.016 -6.880 199 1HH2 ARG 40 HH21 ARG 40 2.613 -10.389 -9.771 200 2HH2 ARG 40 HH22 ARG 40 3.946 -11.020 -8.807 201 H VAL 41 H VAL 41 3.760 -2.084 -7.309 202 HA VAL 41 HA VAL 41 1.981 0.191 -7.969 203 HB VAL 41 HB VAL 41 4.120 0.690 -5.918 204 1HG1 VAL 41 HG11 VAL 41 1.337 1.944 -6.532 205 2HG1 VAL 41 HG13 VAL 41 2.417 2.471 -5.250 206 3HG1 VAL 41 HG12 VAL 41 2.921 2.661 -6.953 207 1HG2 VAL 41 HG21 VAL 41 2.867 -1.195 -4.887 208 2HG2 VAL 41 HG23 VAL 41 2.523 0.331 -4.053 209 3HG2 VAL 41 HG22 VAL 41 1.322 -0.341 -5.182 210 H SER 42 H SER 42 3.008 -0.698 -10.107 211 HA SER 42 HA SER 42 5.795 -0.084 -10.395 212 1HB SER 42 HB2 SER 42 5.596 -0.677 -12.787 213 2HB SER 42 HB1 SER 42 4.724 -1.862 -11.771 214 HG SER 42 HG SER 42 2.772 -0.732 -12.505 215 H VAL 43 H VAL 43 6.263 2.119 -9.866 216 HA VAL 43 HA VAL 43 5.429 4.005 -12.018 217 HB VAL 43 HB VAL 43 4.520 5.572 -10.431 218 1HG1 VAL 43 HG12 VAL 43 3.069 3.535 -11.007 219 2HG1 VAL 43 HG11 VAL 43 3.480 2.816 -9.434 220 3HG1 VAL 43 HG13 VAL 43 2.584 4.324 -9.518 221 1HG2 VAL 43 HG22 VAL 43 5.494 3.708 -8.173 222 2HG2 VAL 43 HG21 VAL 43 6.175 5.305 -8.559 223 3HG2 VAL 43 HG23 VAL 43 4.513 5.174 -7.972 224 H ALA 44 H ALA 44 6.656 6.116 -11.959 225 HA ALA 44 HA ALA 44 9.426 5.641 -10.947 226 1HB ALA 44 HB3 ALA 44 9.141 6.434 -13.299 227 2HB ALA 44 HB2 ALA 44 8.328 7.912 -12.699 228 3HB ALA 44 HB1 ALA 44 10.041 7.600 -12.284 229 H ASP 45 H ASP 45 6.461 7.319 -9.872 230 HA ASP 45 HA ASP 45 7.799 9.334 -8.323 231 1HB ASP 45 HB2 ASP 45 5.214 7.816 -7.658 232 2HB ASP 45 HB1 ASP 45 5.809 9.289 -6.851 233 H VAL 46 H VAL 46 9.814 8.042 -7.707 234 HA VAL 46 HA VAL 46 9.252 6.141 -5.442 235 HB VAL 46 HB VAL 46 10.546 5.183 -7.319 236 1HG1 VAL 46 HG11 VAL 46 12.776 7.184 -6.574 237 2HG1 VAL 46 HG13 VAL 46 12.955 5.752 -7.615 238 3HG1 VAL 46 HG12 VAL 46 11.894 7.079 -8.123 239 1HG2 VAL 46 HG21 VAL 46 10.737 4.242 -5.036 240 2HG2 VAL 46 HG23 VAL 46 12.298 4.129 -5.875 241 3HG2 VAL 46 HG22 VAL 46 12.055 5.373 -4.625 242 H SER 47 H SER 47 8.646 8.885 -5.095 243 HA SER 47 HA SER 47 11.106 10.217 -4.204 244 1HB SER 47 HB2 SER 47 9.393 11.496 -5.432 245 2HB SER 47 HB1 SER 47 8.206 11.182 -4.126 246 HG SER 47 HG SER 47 9.385 13.227 -3.822 247 H LYS 48 H LYS 48 11.517 8.399 -2.508 248 HA LYS 48 HA LYS 48 11.221 7.484 -0.410 249 1HB LYS 48 HB2 LYS 48 10.722 10.264 0.745 250 2HB LYS 48 HB1 LYS 48 11.715 8.925 1.335 251 1HG LYS 48 HG2 LYS 48 13.186 10.693 0.662 252 2HG LYS 48 HG1 LYS 48 13.372 9.448 -0.592 253 1HD LYS 48 HD2 LYS 48 12.311 10.807 -2.233 254 2HD LYS 48 HD1 LYS 48 11.254 11.624 -1.048 255 1HE LYS 48 HE2 LYS 48 13.297 12.917 -0.229 256 2HE LYS 48 HE1 LYS 48 14.206 12.216 -1.599 257 1HZ LYS 48 HZ2 LYS 48 12.465 13.195 -3.135 258 2HZ LYS 48 HZ1 LYS 48 11.685 13.915 -1.766 259 3HZ LYS 48 HZ3 LYS 48 13.295 14.413 -2.209 260 H VAL 49 H VAL 49 9.068 6.787 -1.564 261 HA VAL 49 HA VAL 49 6.701 8.190 -0.386 262 HB VAL 49 HB VAL 49 6.220 8.090 -2.578 263 1HG1 VAL 49 HG11 VAL 49 7.591 5.373 -2.935 264 2HG1 VAL 49 HG13 VAL 49 6.552 6.172 -4.131 265 3HG1 VAL 49 HG12 VAL 49 8.056 6.966 -3.609 266 1HG2 VAL 49 HG21 VAL 49 4.527 6.691 -1.108 267 2HG2 VAL 49 HG23 VAL 49 4.396 6.601 -2.892 268 3HG2 VAL 49 HG22 VAL 49 5.201 5.288 -2.002 269 H ASP 50 H ASP 50 7.798 7.470 1.715 270 HA ASP 50 HA ASP 50 8.291 5.639 3.209 271 1HB ASP 50 HB2 ASP 50 6.258 5.659 4.640 272 2HB ASP 50 HB1 ASP 50 6.700 7.281 4.050 273 H GLN 51 H GLN 51 8.671 4.124 1.232 274 HA GLN 51 HA GLN 51 6.445 2.277 0.708 275 1HB GLN 51 HB2 GLN 51 9.405 2.030 -0.094 276 2HB GLN 51 HB1 GLN 51 8.067 1.064 -0.774 277 1HG GLN 51 HG2 GLN 51 7.000 3.116 -1.698 278 2HG GLN 51 HG1 GLN 51 8.260 4.140 -0.979 279 1HE2 GLN 51 HE22 GLN 51 9.191 2.144 -4.415 280 2HE2 GLN 51 HE21 GLN 51 7.891 1.554 -3.459 281 H ALA 52 H ALA 52 9.605 2.312 2.539 282 HA ALA 52 HA ALA 52 9.425 -0.275 3.598 283 1HB ALA 52 HB3 ALA 52 11.425 1.179 3.889 284 2HB ALA 52 HB2 ALA 52 10.496 2.265 4.971 285 3HB ALA 52 HB1 ALA 52 10.829 0.571 5.465 286 H GLY 53 H GLY 53 7.376 2.606 4.349 287 1HA GLY 53 HA1 GLY 53 6.289 1.257 6.763 288 2HA GLY 53 HA2 GLY 53 5.723 2.788 6.059 289 H LEU 54 H LEU 54 5.420 1.777 3.236 290 HA LEU 54 HA LEU 54 2.719 0.962 3.804 291 1HB LEU 54 HB2 LEU 54 3.735 2.409 1.831 292 2HB LEU 54 HB1 LEU 54 3.767 0.886 0.942 293 HG LEU 54 HG LEU 54 1.096 1.571 2.313 294 1HD1 LEU 54 HD11 LEU 54 2.343 3.205 0.195 295 2HD1 LEU 54 HD13 LEU 54 0.579 3.262 0.420 296 3HD1 LEU 54 HD12 LEU 54 1.710 3.843 1.668 297 1HD2 LEU 54 HD21 LEU 54 1.320 -0.403 0.627 298 2HD2 LEU 54 HD23 LEU 54 0.127 0.836 0.165 299 3HD2 LEU 54 HD22 LEU 54 1.727 0.804 -0.622 300 H LYS 55 H LYS 55 5.609 -0.909 3.424 301 HA LYS 55 HA LYS 55 4.114 -3.171 2.332 302 1HB LYS 55 HB2 LYS 55 6.115 -4.219 2.032 303 2HB LYS 55 HB1 LYS 55 6.729 -2.544 2.034 304 1HG LYS 55 HG2 LYS 55 6.825 -4.635 4.331 305 2HG LYS 55 HG1 LYS 55 8.097 -4.298 3.132 306 1HD LYS 55 HD2 LYS 55 7.703 -1.766 4.088 307 2HD LYS 55 HD1 LYS 55 7.396 -2.698 5.575 308 1HE LYS 55 HE2 LYS 55 9.922 -2.829 3.802 309 2HE LYS 55 HE1 LYS 55 9.790 -2.033 5.391 310 1HZ LYS 55 HZ2 LYS 55 9.346 -4.200 6.449 311 2HZ LYS 55 HZ1 LYS 55 9.500 -5.020 4.925 312 3HZ LYS 55 HZ3 LYS 55 10.867 -4.196 5.615 313 H LYS 56 H LYS 56 5.121 -2.072 5.478 314 HA LYS 56 HA LYS 56 3.952 -4.578 6.636 315 1HB LYS 56 HB2 LYS 56 5.047 -4.018 8.700 316 2HB LYS 56 HB1 LYS 56 6.204 -3.983 7.349 317 1HG LYS 56 HG2 LYS 56 5.870 -1.346 7.369 318 2HG LYS 56 HG1 LYS 56 5.000 -1.589 8.891 319 1HD LYS 56 HD2 LYS 56 7.899 -2.521 8.283 320 2HD LYS 56 HD1 LYS 56 7.496 -0.946 9.013 321 1HE LYS 56 HE2 LYS 56 6.467 -2.040 10.977 322 2HE LYS 56 HE1 LYS 56 6.772 -3.658 10.283 323 1HZ LYS 56 HZ1 LYS 56 8.942 -1.641 10.954 324 2HZ LYS 56 HZ3 LYS 56 8.491 -2.997 11.938 325 3HZ LYS 56 HZ2 LYS 56 9.180 -3.262 10.359 326 H LEU 57 H LEU 57 3.125 -1.179 6.090 327 HA LEU 57 HA LEU 57 0.881 -1.477 8.031 328 1HB LEU 57 HB2 LEU 57 2.797 0.430 7.965 329 2HB LEU 57 HB1 LEU 57 1.701 1.147 6.751 330 HG LEU 57 HG LEU 57 1.136 0.402 9.710 331 1HD1 LEU 57 HD12 LEU 57 2.529 2.514 9.219 332 2HD1 LEU 57 HD11 LEU 57 1.090 3.151 8.372 333 3HD1 LEU 57 HD13 LEU 57 1.009 2.810 10.118 334 1HD2 LEU 57 HD22 LEU 57 -0.775 1.471 7.542 335 2HD2 LEU 57 HD21 LEU 57 -0.972 0.027 8.595 336 3HD2 LEU 57 HD23 LEU 57 -1.083 1.642 9.293 337 H GLY 58 H GLY 58 1.589 -0.949 4.498 338 1HA GLY 58 HA1 GLY 58 -1.336 -0.603 3.998 339 2HA GLY 58 HA2 GLY 58 -0.026 -0.390 2.834 340 H ALA 59 H ALA 59 1.521 -2.777 3.148 341 HA ALA 59 HA ALA 59 -0.449 -4.905 2.373 342 1HB ALA 59 HB3 ALA 59 0.724 -3.720 0.458 343 2HB ALA 59 HB2 ALA 59 2.284 -4.225 1.158 344 3HB ALA 59 HB1 ALA 59 1.153 -5.446 0.527 345 H ALA 60 H ALA 60 2.025 -6.774 2.212 346 HA ALA 60 HA ALA 60 2.949 -6.764 5.047 347 1HB ALA 60 HB3 ALA 60 0.674 -7.986 4.952 348 2HB ALA 60 HB2 ALA 60 1.483 -9.197 3.902 349 3HB ALA 60 HB1 ALA 60 2.067 -8.935 5.562 350 H GLY 61 H GLY 61 4.441 -6.151 2.773 351 1HA GLY 61 HA1 GLY 61 6.693 -7.414 2.537 352 2HA GLY 61 HA2 GLY 61 5.694 -8.743 1.908 353 H VAL 62 H VAL 62 7.274 -5.808 0.908 354 HA VAL 62 HA VAL 62 5.903 -6.088 -1.725 355 HB VAL 62 HB VAL 62 5.714 -3.685 -2.086 356 1HG1 VAL 62 HG11 VAL 62 4.559 -4.557 0.497 357 2HG1 VAL 62 HG13 VAL 62 4.713 -2.769 0.220 358 3HG1 VAL 62 HG12 VAL 62 3.791 -3.764 -0.845 359 1HG2 VAL 62 HG22 VAL 62 7.712 -3.342 0.150 360 2HG2 VAL 62 HG21 VAL 62 7.836 -2.913 -1.566 361 3HG2 VAL 62 HG23 VAL 62 6.759 -1.973 -0.521 362 H VAL 63 H VAL 63 7.467 -4.955 -3.428 363 HA VAL 63 HA VAL 63 10.257 -5.102 -2.471 364 HB VAL 63 HB VAL 63 10.581 -7.253 -3.083 365 1HG1 VAL 63 HG11 VAL 63 7.832 -7.232 -4.470 366 2HG1 VAL 63 HG13 VAL 63 8.906 -8.653 -4.345 367 3HG1 VAL 63 HG12 VAL 63 8.274 -7.875 -2.876 368 1HG2 VAL 63 HG21 VAL 63 11.622 -6.171 -5.017 369 2HG2 VAL 63 HG23 VAL 63 10.953 -7.771 -5.461 370 3HG2 VAL 63 HG22 VAL 63 10.103 -6.284 -5.950 371 H VAL 64 H VAL 64 11.477 -3.484 -3.484 372 HA VAL 64 HA VAL 64 9.912 -1.962 -5.507 373 HB VAL 64 HB VAL 64 12.218 -1.097 -3.694 374 1HG1 VAL 64 HG11 VAL 64 10.401 0.526 -5.577 375 2HG1 VAL 64 HG13 VAL 64 11.595 1.223 -4.443 376 3HG1 VAL 64 HG12 VAL 64 12.138 0.198 -5.804 377 1HG2 VAL 64 HG22 VAL 64 9.182 -0.601 -3.467 378 2HG2 VAL 64 HG21 VAL 64 10.183 -1.585 -2.362 379 3HG2 VAL 64 HG23 VAL 64 10.428 0.181 -2.452 380 H ALA 65 H ALA 65 10.715 -2.095 -7.677 381 HA ALA 65 HA ALA 65 13.644 -2.754 -8.031 382 1HB ALA 65 HB2 ALA 65 11.225 -4.090 -9.387 383 2HB ALA 65 HB1 ALA 65 12.944 -4.388 -9.783 384 3HB ALA 65 HB3 ALA 65 12.296 -4.855 -8.182 385 H GLY 66 H GLY 66 13.790 -0.339 -8.441 386 1HA GLY 66 HA1 GLY 66 12.521 1.398 -9.837 387 2HA GLY 66 HA2 GLY 66 14.206 1.099 -10.310 388 H SER 67 H SER 67 11.011 1.238 -11.586 389 HA SER 67 HA SER 67 10.753 0.859 -13.998 390 1HB SER 67 HB2 SER 67 12.694 -0.622 -14.513 391 2HB SER 67 HB1 SER 67 11.971 -1.916 -13.480 392 HG SER 67 HG SER 67 11.384 -2.130 -15.764 393 H GLY 68 H GLY 68 10.340 -1.217 -11.059 394 1HA GLY 68 HA1 GLY 68 7.502 -1.098 -11.474 395 2HA GLY 68 HA2 GLY 68 8.149 -2.730 -11.775 396 H VAL 69 H VAL 69 6.326 -2.102 -9.550 397 HA VAL 69 HA VAL 69 8.122 -2.843 -7.291 398 HB VAL 69 HB VAL 69 5.880 -0.781 -7.102 399 1HG1 VAL 69 HG11 VAL 69 7.686 -1.962 -4.923 400 2HG1 VAL 69 HG13 VAL 69 6.817 -0.438 -4.744 401 3HG1 VAL 69 HG12 VAL 69 5.912 -1.941 -5.044 402 1HG2 VAL 69 HG22 VAL 69 8.922 -0.425 -7.179 403 2HG2 VAL 69 HG21 VAL 69 7.687 0.328 -8.218 404 3HG2 VAL 69 HG23 VAL 69 7.856 0.836 -6.522 405 H GLN 70 H GLN 70 6.908 -4.202 -5.701 406 HA GLN 70 HA GLN 70 4.285 -5.092 -6.744 407 1HB GLN 70 HB2 GLN 70 5.684 -7.379 -5.806 408 2HB GLN 70 HB1 GLN 70 5.131 -7.092 -7.486 409 1HG GLN 70 HG2 GLN 70 7.179 -5.970 -8.129 410 2HG GLN 70 HG1 GLN 70 7.870 -6.217 -6.526 411 1HE2 GLN 70 HE22 GLN 70 7.896 -9.979 -7.280 412 2HE2 GLN 70 HE21 GLN 70 7.113 -9.091 -6.051 413 H ALA 71 H ALA 71 2.782 -5.952 -5.025 414 HA ALA 71 HA ALA 71 3.836 -5.414 -2.340 415 1HB ALA 71 HB2 ALA 71 1.497 -3.932 -3.704 416 2HB ALA 71 HB1 ALA 71 1.754 -3.937 -1.958 417 3HB ALA 71 HB3 ALA 71 2.986 -3.228 -3.070 418 H ILE 72 H ILE 72 3.212 -7.057 -0.902 419 HA ILE 72 HA ILE 72 0.879 -8.707 -1.853 420 HB ILE 72 HB ILE 72 3.773 -9.370 -1.342 421 1HG1 ILE 72 HG12 ILE 72 3.081 -11.443 -2.707 422 2HG1 ILE 72 HG11 ILE 72 1.459 -10.734 -2.810 423 1HG2 ILE 72 HG22 ILE 72 2.913 -10.346 0.783 424 2HG2 ILE 72 HG21 ILE 72 1.713 -11.285 -0.158 425 3HG2 ILE 72 HG23 ILE 72 3.456 -11.567 -0.367 426 1HD1 ILE 72 HD12 ILE 72 2.479 -8.714 -4.002 427 2HD1 ILE 72 HD11 ILE 72 4.092 -9.466 -3.841 428 3HD1 ILE 72 HD13 ILE 72 2.833 -10.251 -4.830 429 H PHE 73 H PHE 73 -0.818 -8.784 -0.261 430 HA PHE 73 HA PHE 73 0.055 -7.945 2.477 431 1HB PHE 73 HB2 PHE 73 -2.668 -8.331 2.508 432 2HB PHE 73 HB1 PHE 73 -1.835 -6.792 2.783 433 HD1 PHE 73 HD1 PHE 73 -0.954 -6.319 -0.201 434 HD2 PHE 73 HD2 PHE 73 -4.673 -7.084 1.752 435 HE1 PHE 73 HE1 PHE 73 -2.096 -6.312 -2.380 436 HE2 PHE 73 HE2 PHE 73 -5.875 -6.683 -0.384 437 HZ PHE 73 HZ PHE 73 -4.575 -6.535 -2.514 438 H GLY 74 H GLY 74 -0.495 -10.906 0.651 439 1HA GLY 74 HA1 GLY 74 -0.462 -13.061 1.494 440 2HA GLY 74 HA2 GLY 74 0.356 -12.336 2.909 441 H THR 75 H THR 75 -0.939 -14.142 4.053 442 HA THR 75 HA THR 75 -3.789 -13.785 4.293 443 HB THR 75 HB THR 75 -2.939 -15.895 5.139 444 HG1 THR 75 HG1 THR 75 -4.750 -14.896 6.300 445 1HG2 THR 75 HG22 THR 75 -1.290 -14.219 7.141 446 2HG2 THR 75 HG21 THR 75 -1.651 -15.958 7.334 447 3HG2 THR 75 HG23 THR 75 -0.668 -15.415 5.954 448 H LYS 76 H LYS 76 -0.984 -12.073 5.749 449 HA LYS 76 HA LYS 76 -2.367 -11.023 7.938 450 1HB LYS 76 HB2 LYS 76 0.223 -10.472 6.773 451 2HB LYS 76 HB1 LYS 76 -0.625 -8.948 6.829 452 1HG LYS 76 HG2 LYS 76 0.536 -9.021 8.872 453 2HG LYS 76 HG1 LYS 76 -1.134 -9.418 9.342 454 1HD LYS 76 HD2 LYS 76 -0.533 -11.831 9.506 455 2HD LYS 76 HD1 LYS 76 1.051 -11.509 8.747 456 1HE LYS 76 HE2 LYS 76 1.424 -11.830 11.116 457 2HE LYS 76 HE1 LYS 76 1.760 -10.127 10.721 458 1HZ LYS 76 HZ1 LYS 76 -0.772 -11.197 12.009 459 2HZ LYS 76 HZ3 LYS 76 0.527 -10.384 12.823 460 3HZ LYS 76 HZ2 LYS 76 -0.440 -9.511 11.675 461 H SER 77 H SER 77 -2.954 -10.243 4.488 462 HA SER 77 HA SER 77 -3.954 -7.829 4.328 463 1HB SER 77 HB2 SER 77 -6.029 -8.715 3.116 464 2HB SER 77 HB1 SER 77 -4.555 -9.540 2.596 465 HG SER 77 HG SER 77 -6.455 -10.701 4.340 466 H ASP 78 H ASP 78 -5.644 -10.221 6.523 467 HA ASP 78 HA ASP 78 -7.920 -8.502 6.818 468 1HB ASP 78 HB2 ASP 78 -6.751 -10.522 8.821 469 2HB ASP 78 HB1 ASP 78 -8.386 -9.806 8.895 470 H ASN 79 H ASN 79 -4.793 -8.758 8.675 471 HA ASN 79 HA ASN 79 -5.505 -6.743 10.572 472 1HB ASN 79 HB2 ASN 79 -3.573 -8.381 10.802 473 2HB ASN 79 HB1 ASN 79 -2.681 -7.444 9.585 474 1HD2 ASN 79 HD22 ASN 79 -1.906 -4.786 11.940 475 2HD2 ASN 79 HD21 ASN 79 -1.857 -5.231 10.276 476 H LEU 80 H LEU 80 -4.105 -6.532 7.224 477 HA LEU 80 HA LEU 80 -3.324 -3.739 7.655 478 1HB LEU 80 HB2 LEU 80 -3.493 -5.465 5.110 479 2HB LEU 80 HB1 LEU 80 -3.041 -3.747 5.084 480 HG LEU 80 HG LEU 80 -1.137 -5.362 4.974 481 1HD1 LEU 80 HD11 LEU 80 -1.121 -3.309 7.292 482 2HD1 LEU 80 HD13 LEU 80 0.333 -4.073 6.640 483 3HD1 LEU 80 HD12 LEU 80 -0.695 -3.104 5.565 484 1HD2 LEU 80 HD21 LEU 80 -1.905 -7.040 6.618 485 2HD2 LEU 80 HD23 LEU 80 -0.258 -6.452 6.989 486 3HD2 LEU 80 HD22 LEU 80 -1.635 -5.886 7.968 487 H LYS 81 H LYS 81 -5.927 -5.445 5.714 488 HA LYS 81 HA LYS 81 -7.363 -3.176 5.032 489 1HB LYS 81 HB2 LYS 81 -8.219 -5.997 5.695 490 2HB LYS 81 HB1 LYS 81 -9.511 -4.778 5.791 491 1HG LYS 81 HG2 LYS 81 -8.972 -3.962 3.484 492 2HG LYS 81 HG1 LYS 81 -7.842 -5.333 3.283 493 1HD LYS 81 HD2 LYS 81 -10.888 -5.493 3.856 494 2HD LYS 81 HD1 LYS 81 -10.094 -5.798 2.289 495 1HE LYS 81 HE2 LYS 81 -8.856 -7.754 3.324 496 2HE LYS 81 HE1 LYS 81 -9.756 -7.487 4.845 497 1HZ LYS 81 HZ2 LYS 81 -11.881 -7.855 3.651 498 2HZ LYS 81 HZ1 LYS 81 -11.020 -8.144 2.166 499 3HZ LYS 81 HZ3 LYS 81 -10.827 -9.228 3.502 500 H THR 82 H THR 82 -7.446 -4.950 8.264 501 HA THR 82 HA THR 82 -9.400 -3.351 9.436 502 HB THR 82 HB THR 82 -6.938 -4.693 10.617 503 HG1 THR 82 HG1 THR 82 -8.736 -5.952 11.495 504 1HG2 THR 82 HG22 THR 82 -8.940 -2.950 12.180 505 2HG2 THR 82 HG21 THR 82 -7.816 -4.135 12.914 506 3HG2 THR 82 HG23 THR 82 -7.161 -2.722 12.047 507 H GLU 83 H GLU 83 -5.904 -2.471 8.923 508 HA GLU 83 HA GLU 83 -6.185 0.021 10.382 509 1HB GLU 83 HB2 GLU 83 -4.246 -0.651 8.100 510 2HB GLU 83 HB1 GLU 83 -4.115 0.765 9.174 511 1HG GLU 83 HG2 GLU 83 -4.031 -2.143 10.238 512 2HG GLU 83 HG1 GLU 83 -2.597 -1.249 9.739 513 H MET 84 H MET 84 -6.727 -0.967 6.911 514 HA MET 84 HA MET 84 -7.227 1.726 6.051 515 1HB MET 84 HB2 MET 84 -8.389 -0.847 4.806 516 2HB MET 84 HB1 MET 84 -8.366 0.784 4.083 517 1HG MET 84 HG2 MET 84 -5.823 0.744 4.116 518 2HG MET 84 HG1 MET 84 -5.869 -0.912 4.772 519 1HE MET 84 HE1 MET 84 -6.900 1.419 1.815 520 2HE MET 84 HE3 MET 84 -7.071 0.274 0.451 521 3HE MET 84 HE2 MET 84 -8.381 0.417 1.661 522 H ASP 85 H ASP 85 -9.534 -0.958 7.065 523 HA ASP 85 HA ASP 85 -11.941 0.274 6.988 524 1HB ASP 85 HB2 ASP 85 -11.644 -1.975 7.954 525 2HB ASP 85 HB1 ASP 85 -10.867 -1.275 9.396 526 H GLU 86 H GLU 86 -9.317 0.836 9.445 527 HA GLU 86 HA GLU 86 -10.866 2.540 11.028 528 1HB GLU 86 HB2 GLU 86 -9.090 2.657 12.427 529 2HB GLU 86 HB1 GLU 86 -8.264 1.572 11.308 530 1HG GLU 86 HG2 GLU 86 -6.781 3.396 11.791 531 2HG GLU 86 HG1 GLU 86 -7.342 3.642 10.118 532 H TYR 87 H TYR 87 -8.867 3.437 8.088 533 HA TYR 87 HA TYR 87 -9.108 6.223 8.291 534 1HB TYR 87 HB1 TYR 87 -8.010 5.049 6.341 535 2HB TYR 87 HB2 TYR 87 -9.569 4.561 5.714 536 HD1 TYR 87 HD1 TYR 87 -11.155 6.322 4.785 537 HD2 TYR 87 HD2 TYR 87 -7.255 7.463 6.149 538 HE1 TYR 87 HE1 TYR 87 -11.238 8.313 3.344 539 HE2 TYR 87 HE2 TYR 87 -7.307 9.432 4.689 540 HH TYR 87 HH TYR 87 -8.469 10.511 2.888 541 H ILE 88 H ILE 88 -11.544 3.857 6.921 542 HA ILE 88 HA ILE 88 -13.180 6.078 6.021 543 HB ILE 88 HB ILE 88 -14.113 3.178 6.306 544 1HG1 ILE 88 HG12 ILE 88 -13.456 3.609 3.545 545 2HG1 ILE 88 HG11 ILE 88 -12.060 4.248 4.414 546 1HG2 ILE 88 HG22 ILE 88 -15.867 4.933 5.896 547 2HG2 ILE 88 HG21 ILE 88 -14.984 5.482 4.440 548 3HG2 ILE 88 HG23 ILE 88 -15.702 3.845 4.494 549 1HD1 ILE 88 HD11 ILE 88 -13.234 1.413 4.736 550 2HD1 ILE 88 HD13 ILE 88 -11.748 1.853 3.839 551 3HD1 ILE 88 HD12 ILE 88 -11.809 2.050 5.595 552 H ARG 89 H ARG 89 -13.276 3.721 8.794 553 HA ARG 89 HA ARG 89 -15.656 4.860 9.913 554 1HB ARG 89 HB2 ARG 89 -13.310 3.476 11.348 555 2HB ARG 89 HB1 ARG 89 -14.927 3.757 12.024 556 1HG ARG 89 HG2 ARG 89 -15.324 2.387 9.455 557 2HG ARG 89 HG1 ARG 89 -14.021 1.535 10.307 558 1HD ARG 89 HD2 ARG 89 -16.794 2.204 11.374 559 2HD ARG 89 HD1 ARG 89 -16.259 0.565 10.862 560 HE ARG 89 HE ARG 89 -14.383 1.314 12.795 561 1HH1 ARG 89 HH11 ARG 89 -17.962 0.881 12.746 562 2HH1 ARG 89 HH12 ARG 89 -18.018 0.603 14.481 563 1HH2 ARG 89 HH21 ARG 89 -14.553 0.914 14.993 564 2HH2 ARG 89 HH22 ARG 89 -16.124 0.591 15.730 565 H ASN 90 H ASN 90 -12.208 5.838 10.065 566 HA ASN 90 HA ASN 90 -12.659 7.803 12.186 567 1HB ASN 90 HB2 ASN 90 -10.438 6.753 11.840 568 2HB ASN 90 HB1 ASN 90 -10.345 7.431 10.191 569 1HD2 ASN 90 HD22 ASN 90 -8.340 9.954 11.718 570 2HD2 ASN 90 HD21 ASN 90 -8.331 8.568 10.694 571 H PHE 91 H PHE 91 -12.942 7.752 8.597 572 HA PHE 91 HA PHE 91 -13.371 10.734 8.674 573 1HB PHE 91 HB2 PHE 91 -11.195 9.354 7.532 574 2HB PHE 91 HB1 PHE 91 -12.298 9.486 6.153 575 HD1 PHE 91 HD1 PHE 91 -11.066 11.502 9.124 576 HD2 PHE 91 HD2 PHE 91 -11.785 11.504 4.872 577 HE1 PHE 91 HE1 PHE 91 -10.106 13.775 8.963 578 HE2 PHE 91 HE2 PHE 91 -10.735 13.741 4.705 579 HZ PHE 91 HZ PHE 91 -9.897 14.884 6.746 580 H GLY 92 H GLY 92 -15.445 8.780 9.170 581 1HA GLY 92 HA1 GLY 92 -17.625 8.484 8.409 582 2HA GLY 92 HA2 GLY 92 -17.287 9.668 7.123 No H/Q in entry = 582
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