NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
22668 | 2jq5 | 15270 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 4.725 0.384 -1.382 2 2H MET 1 HT2 MET 1 4.204 -0.004 -2.943 3 3H MET 1 HT3 MET 1 4.735 -1.225 -1.904 4 HA MET 1 HA MET 1 2.892 -0.950 -0.471 5 1HB MET 1 HB2 MET 1 2.109 1.327 -2.316 6 2HB MET 1 HB1 MET 1 1.090 0.679 -1.037 7 1HG MET 1 HG2 MET 1 2.181 2.734 -0.339 8 2HG MET 1 HG1 MET 1 2.724 1.368 0.634 9 1HE MET 1 HE1 MET 1 4.786 2.892 1.492 10 2HE MET 1 HE2 MET 1 4.207 4.217 0.483 11 3HE MET 1 HE3 MET 1 5.894 3.712 0.392 12 H ASN 2 HN ASN 2 2.120 -2.890 -1.001 13 HA ASN 2 HA ASN 2 0.743 -3.204 -3.593 14 1HB ASN 2 HB2 ASN 2 2.951 -4.376 -3.557 15 2HB ASN 2 HB1 ASN 2 2.393 -5.323 -2.183 16 1HD2 ASN 2 HD21 ASN 2 2.486 -7.299 -3.191 17 2HD2 ASN 2 HD22 ASN 2 1.446 -7.748 -4.500 18 H CYS 3 HN CYS 3 -0.806 -5.093 -3.532 19 HA CYS 3 HA CYS 3 -2.551 -4.763 -1.276 20 1HB CYS 3 HB2 CYS 3 -3.272 -5.093 -3.704 21 2HB CYS 3 HB1 CYS 3 -2.856 -6.794 -3.499 22 H VAL 4 HN VAL 4 -3.243 -6.381 0.185 23 HA VAL 4 HA VAL 4 -1.235 -8.312 0.926 24 HB VAL 4 HB VAL 4 -2.698 -8.841 2.816 25 1HG1 VAL 4 HG11 VAL 4 -1.244 -6.886 2.991 26 2HG1 VAL 4 HG12 VAL 4 -2.742 -6.641 3.889 27 3HG1 VAL 4 HG13 VAL 4 -2.518 -5.865 2.320 28 1HG2 VAL 4 HG21 VAL 4 -4.857 -7.702 3.118 29 2HG2 VAL 4 HG22 VAL 4 -4.862 -8.733 1.686 30 3HG2 VAL 4 HG23 VAL 4 -4.701 -6.985 1.513 31 H CYS 5 HN CYS 5 -2.381 -8.806 -1.654 32 HA CYS 5 HA CYS 5 -3.158 -11.543 -1.353 33 1HB CYS 5 HB2 CYS 5 -5.367 -11.490 -1.962 34 2HB CYS 5 HB1 CYS 5 -5.300 -9.890 -1.232 35 H GLY 6 HN GLY 6 -3.289 -12.615 -3.504 36 1HA GLY 6 HA2 GLY 6 -1.075 -11.966 -5.063 37 2HA GLY 6 HA1 GLY 6 -2.341 -13.086 -5.528 38 H SER 7 HN SER 7 -1.470 -9.668 -5.493 39 HA SER 7 HA SER 7 -2.253 -9.325 -8.223 40 1HB SER 7 HB2 SER 7 -3.658 -7.652 -6.104 41 2HB SER 7 HB1 SER 7 -3.850 -7.510 -7.849 42 HG SER 7 HG SER 7 -4.461 -9.935 -7.480 43 H GLY 8 HN GLY 8 -0.554 -8.151 -8.973 44 1HA GLY 8 HA2 GLY 8 1.186 -6.646 -7.269 45 2HA GLY 8 HA1 GLY 8 1.245 -6.708 -9.029 46 H LYS 9 HN LYS 9 -0.897 -5.511 -6.497 47 HA LYS 9 HA LYS 9 -1.333 -2.993 -7.929 48 1HB LYS 9 HB2 LYS 9 -3.582 -4.803 -7.021 49 2HB LYS 9 HB1 LYS 9 -3.751 -3.274 -7.868 50 1HG LYS 9 HG2 LYS 9 -2.348 -5.628 -9.099 51 2HG LYS 9 HG1 LYS 9 -4.095 -5.448 -9.184 52 1HD LYS 9 HD2 LYS 9 -2.021 -3.512 -10.243 53 2HD LYS 9 HD1 LYS 9 -3.043 -4.579 -11.203 54 1HE LYS 9 HE2 LYS 9 -5.033 -3.373 -10.409 55 2HE LYS 9 HE1 LYS 9 -4.001 -2.297 -9.468 56 1HZ LYS 9 HZ1 LYS 9 -4.605 -1.258 -11.537 57 2HZ LYS 9 HZ2 LYS 9 -4.021 -2.573 -12.425 58 3HZ LYS 9 HZ3 LYS 9 -2.946 -1.598 -11.559 59 H THR 10 HN THR 10 -2.779 -1.541 -6.517 60 HA THR 10 HA THR 10 -1.925 -1.644 -3.763 61 HB THR 10 HB THR 10 -3.226 0.415 -3.490 62 HG1 THR 10 HG1 THR 10 -4.149 1.036 -5.814 63 1HG2 THR 10 HG21 THR 10 -2.150 1.825 -5.188 64 2HG2 THR 10 HG22 THR 10 -1.754 0.387 -6.130 65 3HG2 THR 10 HG23 THR 10 -1.025 0.630 -4.541 66 H TYR 11 HN TYR 11 -3.902 -1.081 -2.130 67 HA TYR 11 HA TYR 11 -5.631 -3.330 -2.021 68 1HB TYR 11 HB2 TYR 11 -5.106 -2.278 0.057 69 2HB TYR 11 HB1 TYR 11 -5.599 -0.695 -0.534 70 HD1 TYR 11 HD2 TYR 11 -7.026 -4.099 0.121 71 HD2 TYR 11 HD1 TYR 11 -7.707 0.106 0.039 72 HE1 TYR 11 HE2 TYR 11 -9.281 -4.450 1.036 73 HE2 TYR 11 HE1 TYR 11 -9.964 -0.237 0.949 74 HH TYR 11 HH TYR 11 -11.646 -1.973 1.098 75 H ASP 12 HN ASP 12 -6.243 0.103 -2.686 76 HA ASP 12 HA ASP 12 -8.978 -0.129 -3.253 77 1HB ASP 12 HB2 ASP 12 -8.058 2.028 -2.744 78 2HB ASP 12 HB1 ASP 12 -6.933 1.935 -4.095 79 H ASP 13 HN ASP 13 -6.247 0.168 -5.545 80 HA ASP 13 HA ASP 13 -7.827 0.017 -7.866 81 1HB ASP 13 HB2 ASP 13 -4.898 -0.517 -7.385 82 2HB ASP 13 HB1 ASP 13 -5.617 -0.679 -8.983 83 H CYS 14 HN CYS 14 -6.702 -2.441 -5.744 84 HA CYS 14 HA CYS 14 -7.301 -4.542 -7.702 85 1HB CYS 14 HB2 CYS 14 -5.234 -4.900 -6.612 86 2HB CYS 14 HB1 CYS 14 -5.919 -4.585 -5.026 87 H CYS 15 HN CYS 15 -7.795 -4.599 -4.174 88 HA CYS 15 HA CYS 15 -10.112 -6.248 -4.538 89 1HB CYS 15 HB2 CYS 15 -8.667 -5.204 -2.115 90 2HB CYS 15 HB1 CYS 15 -10.201 -6.055 -1.966 91 H GLY 16 HN GLY 16 -9.637 -2.866 -4.247 92 1HA GLY 16 HA2 GLY 16 -11.775 -2.049 -2.672 93 2HA GLY 16 HA1 GLY 16 -11.054 -1.096 -3.956 94 HA PRO 17 HA PRO 17 -14.538 -1.475 -6.638 95 1HB PRO 17 HB2 PRO 17 -13.869 -3.101 -8.773 96 2HB PRO 17 HB1 PRO 17 -13.408 -1.404 -8.624 97 1HG PRO 17 HG2 PRO 17 -11.819 -3.864 -8.011 98 2HG PRO 17 HG1 PRO 17 -11.303 -2.361 -8.800 99 1HD PRO 17 HD2 PRO 17 -10.720 -2.864 -6.230 100 2HD PRO 17 HD1 PRO 17 -11.108 -1.223 -6.787 101 H LEU 18 HN LEU 18 -13.103 -4.591 -5.907 102 HA LEU 18 HA LEU 18 -15.458 -6.116 -6.505 103 1HB LEU 18 HB2 LEU 18 -12.932 -6.795 -4.985 104 2HB LEU 18 HB1 LEU 18 -14.237 -7.938 -5.228 105 HG LEU 18 HG LEU 18 -12.572 -8.444 -6.849 106 1HD1 LEU 18 HD11 LEU 18 -14.881 -8.521 -7.672 107 2HD1 LEU 18 HD12 LEU 18 -13.735 -8.131 -8.954 108 3HD1 LEU 18 HD13 LEU 18 -14.731 -6.858 -8.248 109 1HD2 LEU 18 HD21 LEU 18 -11.316 -6.361 -6.785 110 2HD2 LEU 18 HD22 LEU 18 -12.609 -5.532 -7.654 111 3HD2 LEU 18 HD23 LEU 18 -11.693 -6.815 -8.446 112 H LEU 19 HN LEU 19 -13.857 -5.086 -3.504 113 HA LEU 19 HA LEU 19 -15.858 -6.094 -1.770 114 1HB LEU 19 HB2 LEU 19 -13.541 -4.223 -1.467 115 2HB LEU 19 HB1 LEU 19 -14.718 -4.334 -0.171 116 HG LEU 19 HG LEU 19 -13.238 -6.732 -1.271 117 1HD1 LEU 19 HD11 LEU 19 -12.603 -5.072 1.174 118 2HD1 LEU 19 HD12 LEU 19 -11.630 -5.173 -0.295 119 3HD1 LEU 19 HD13 LEU 19 -11.828 -6.594 0.730 120 1HD2 LEU 19 HD21 LEU 19 -13.987 -7.799 0.802 121 2HD2 LEU 19 HD22 LEU 19 -15.350 -7.254 -0.173 122 3HD2 LEU 19 HD23 LEU 19 -14.856 -6.329 1.247 123 H ALA 20 HN ALA 20 -15.593 -3.183 -3.615 124 HA ALA 20 HA ALA 20 -17.626 -1.743 -2.178 125 1HB ALA 20 HB1 ALA 20 -15.923 -0.556 -3.473 126 2HB ALA 20 HB2 ALA 20 -17.542 -0.171 -4.056 127 3HB ALA 20 HB3 ALA 20 -16.524 -1.296 -4.957 128 H ARG 21 HN ARG 21 -17.715 -4.434 -4.116 129 HA ARG 21 HA ARG 21 -19.318 -5.594 -5.225 130 1HB ARG 21 HB2 ARG 21 -21.049 -3.796 -3.527 131 2HB ARG 21 HB1 ARG 21 -21.761 -4.930 -4.659 132 1HG ARG 21 HG2 ARG 21 -21.826 -6.037 -2.615 133 2HG ARG 21 HG1 ARG 21 -20.435 -6.737 -3.436 134 1HD ARG 21 HD2 ARG 21 -18.909 -5.532 -2.074 135 2HD ARG 21 HD1 ARG 21 -20.182 -4.475 -1.456 136 HE ARG 21 HE ARG 21 -20.943 -7.017 -0.740 137 1HH1 ARG 21 HH11 ARG 21 -18.122 -5.033 -0.089 138 2HH1 ARG 21 HH12 ARG 21 -17.833 -5.755 1.464 139 1HH2 ARG 21 HH21 ARG 21 -20.587 -7.918 1.298 140 2HH2 ARG 21 HH22 ARG 21 -19.228 -7.390 2.256 141 H THR 22 HN THR 22 -18.205 -3.065 -6.391 142 HA THR 22 HA THR 22 -20.499 -2.069 -7.935 143 HB THR 22 HB THR 22 -19.158 -0.404 -6.661 144 HG1 THR 22 HG1 THR 22 -20.022 0.724 -8.231 145 1HG2 THR 22 HG21 THR 22 -16.934 -1.423 -6.922 146 2HG2 THR 22 HG22 THR 22 -16.947 0.251 -7.476 147 3HG2 THR 22 HG23 THR 22 -16.975 -1.065 -8.649 148 H ARG 23 HN ARG 23 -17.421 -3.703 -8.314 149 HA ARG 23 HA ARG 23 -17.881 -3.787 -11.228 150 1HB ARG 23 HB2 ARG 23 -16.034 -2.257 -10.793 151 2HB ARG 23 HB1 ARG 23 -15.233 -3.465 -9.801 152 1HG ARG 23 HG2 ARG 23 -14.855 -4.875 -11.721 153 2HG ARG 23 HG1 ARG 23 -15.784 -3.780 -12.748 154 1HD ARG 23 HD2 ARG 23 -14.108 -1.996 -12.261 155 2HD ARG 23 HD1 ARG 23 -13.158 -3.189 -11.373 156 HE ARG 23 HE ARG 23 -13.603 -4.261 -13.881 157 1HH1 ARG 23 HH11 ARG 23 -11.970 -1.452 -12.565 158 2HH1 ARG 23 HH12 ARG 23 -10.844 -1.338 -13.876 159 1HH2 ARG 23 HH21 ARG 23 -12.114 -4.117 -15.603 160 2HH2 ARG 23 HH22 ARG 23 -10.932 -2.845 -15.609 161 H SER 24 HN SER 24 -17.596 -5.715 -12.218 162 HA SER 24 HA SER 24 -17.394 -8.076 -10.564 163 1HB SER 24 HB2 SER 24 -17.678 -7.839 -13.576 164 2HB SER 24 HB1 SER 24 -17.955 -9.288 -12.608 165 HG SER 24 HG SER 24 -19.466 -6.900 -12.700 166 H ALA 25 HN ALA 25 -15.733 -9.547 -10.553 167 HA ALA 25 HA ALA 25 -13.121 -8.639 -11.055 168 1HB ALA 25 HB1 ALA 25 -13.654 -10.285 -9.333 169 2HB ALA 25 HB2 ALA 25 -12.419 -10.898 -10.433 170 3HB ALA 25 HB3 ALA 25 -14.085 -11.460 -10.576 171 H ALA 26 HN ALA 26 -15.314 -10.605 -12.956 172 HA ALA 26 HA ALA 26 -15.304 -11.310 -15.111 173 1HB ALA 26 HB1 ALA 26 -14.040 -10.030 -16.752 174 2HB ALA 26 HB2 ALA 26 -13.077 -9.301 -15.466 175 3HB ALA 26 HB3 ALA 26 -14.802 -8.954 -15.581 176 H SER 27 HN SER 27 -13.249 -12.334 -13.024 177 HA SER 27 HA SER 27 -12.084 -14.319 -14.739 178 1HB SER 27 HB2 SER 27 -10.375 -12.636 -15.059 179 2HB SER 27 HB1 SER 27 -10.296 -12.313 -13.328 180 HG SER 27 HG SER 27 -9.068 -14.258 -14.801 181 HA PRO 28 HA PRO 28 -12.815 -16.669 -11.055 182 1HB PRO 28 HB2 PRO 28 -10.929 -18.662 -11.411 183 2HB PRO 28 HB1 PRO 28 -12.508 -18.628 -12.202 184 1HG PRO 28 HG2 PRO 28 -9.837 -17.791 -13.267 185 2HG PRO 28 HG1 PRO 28 -11.141 -18.679 -14.080 186 1HD PRO 28 HD2 PRO 28 -10.736 -16.058 -14.523 187 2HD PRO 28 HD1 PRO 28 -12.372 -16.749 -14.486 188 H GLU 29 HN GLU 29 -9.357 -16.282 -11.862 189 HA GLU 29 HA GLU 29 -8.412 -16.490 -9.210 190 1HB GLU 29 HB2 GLU 29 -6.337 -15.422 -10.096 191 2HB GLU 29 HB1 GLU 29 -6.879 -16.797 -11.051 192 1HG GLU 29 HG2 GLU 29 -7.739 -15.383 -12.757 193 2HG GLU 29 HG1 GLU 29 -7.509 -13.943 -11.767 194 H ALA 30 HN ALA 30 -9.334 -13.727 -11.219 195 HA ALA 30 HA ALA 30 -8.508 -11.672 -9.514 196 1HB ALA 30 HB1 ALA 30 -10.814 -11.649 -11.460 197 2HB ALA 30 HB2 ALA 30 -9.130 -11.295 -11.847 198 3HB ALA 30 HB3 ALA 30 -10.029 -10.230 -10.765 199 H LEU 31 HN LEU 31 -11.433 -13.584 -9.578 200 HA LEU 31 HA LEU 31 -12.794 -12.063 -7.568 201 1HB LEU 31 HB2 LEU 31 -13.906 -13.481 -9.312 202 2HB LEU 31 HB1 LEU 31 -13.293 -14.905 -8.500 203 HG LEU 31 HG LEU 31 -15.735 -14.268 -8.095 204 1HD1 LEU 31 HD11 LEU 31 -14.592 -15.923 -6.743 205 2HD1 LEU 31 HD12 LEU 31 -15.707 -14.963 -5.773 206 3HD1 LEU 31 HD13 LEU 31 -13.973 -14.652 -5.689 207 1HD2 LEU 31 HD21 LEU 31 -15.401 -11.871 -7.780 208 2HD2 LEU 31 HD22 LEU 31 -14.465 -12.189 -6.319 209 3HD2 LEU 31 HD23 LEU 31 -16.178 -12.603 -6.377 210 H MET 32 HN MET 32 -10.811 -14.984 -7.644 211 HA MET 32 HA MET 32 -11.384 -15.901 -5.057 212 1HB MET 32 HB2 MET 32 -10.356 -17.288 -6.824 213 2HB MET 32 HB1 MET 32 -8.874 -16.352 -6.690 214 1HG MET 32 HG2 MET 32 -10.071 -17.972 -4.447 215 2HG MET 32 HG1 MET 32 -8.807 -18.547 -5.531 216 1HE MET 32 HE1 MET 32 -7.522 -19.124 -3.193 217 2HE MET 32 HE2 MET 32 -8.753 -18.317 -2.219 218 3HE MET 32 HE3 MET 32 -7.053 -17.891 -2.022 219 H ARG 33 HN ARG 33 -8.589 -13.949 -6.200 220 HA ARG 33 HA ARG 33 -7.446 -13.945 -3.575 221 1HB ARG 33 HB2 ARG 33 -5.615 -12.817 -4.417 222 2HB ARG 33 HB1 ARG 33 -6.180 -13.708 -5.817 223 1HG ARG 33 HG2 ARG 33 -6.852 -10.812 -5.322 224 2HG ARG 33 HG1 ARG 33 -5.432 -11.341 -6.220 225 1HD ARG 33 HD2 ARG 33 -7.182 -12.691 -7.617 226 2HD ARG 33 HD1 ARG 33 -8.326 -11.522 -6.948 227 HE ARG 33 HE ARG 33 -7.096 -9.771 -8.039 228 1HH1 ARG 33 HH11 ARG 33 -6.149 -13.013 -8.966 229 2HH1 ARG 33 HH12 ARG 33 -5.436 -12.520 -10.466 230 1HH2 ARG 33 HH21 ARG 33 -6.166 -9.119 -10.024 231 2HH2 ARG 33 HH22 ARG 33 -5.447 -10.307 -11.067 232 H SER 34 HN SER 34 -9.721 -11.942 -5.196 233 HA SER 34 HA SER 34 -9.466 -9.699 -3.434 234 1HB SER 34 HB2 SER 34 -11.752 -10.543 -5.239 235 2HB SER 34 HB1 SER 34 -11.640 -8.992 -4.404 236 HG SER 34 HG SER 34 -10.595 -9.660 -6.742 237 H ARG 35 HN ARG 35 -11.485 -12.609 -3.562 238 HA ARG 35 HA ARG 35 -13.040 -12.026 -1.269 239 1HB ARG 35 HB2 ARG 35 -12.290 -14.693 -2.494 240 2HB ARG 35 HB1 ARG 35 -13.442 -14.503 -1.182 241 1HG ARG 35 HG2 ARG 35 -14.499 -12.799 -2.986 242 2HG ARG 35 HG1 ARG 35 -13.733 -13.965 -4.066 243 1HD ARG 35 HD2 ARG 35 -15.902 -14.404 -2.038 244 2HD ARG 35 HD1 ARG 35 -15.891 -14.813 -3.752 245 HE ARG 35 HE ARG 35 -13.896 -16.341 -2.651 246 1HH1 ARG 35 HH11 ARG 35 -17.342 -15.966 -2.164 247 2HH1 ARG 35 HH12 ARG 35 -17.558 -17.558 -1.511 248 1HH2 ARG 35 HH21 ARG 35 -14.155 -18.422 -1.772 249 2HH2 ARG 35 HH22 ARG 35 -15.721 -18.953 -1.245 250 H TYR 36 HN TYR 36 -9.981 -13.733 -1.733 251 HA TYR 36 HA TYR 36 -9.478 -14.642 0.823 252 1HB TYR 36 HB2 TYR 36 -7.938 -15.248 -0.871 253 2HB TYR 36 HB1 TYR 36 -7.638 -13.572 -1.318 254 HD1 TYR 36 HD1 TYR 36 -7.061 -16.076 1.384 255 HD2 TYR 36 HD2 TYR 36 -5.881 -12.359 -0.329 256 HE1 TYR 36 HE1 TYR 36 -5.098 -16.017 2.864 257 HE2 TYR 36 HE2 TYR 36 -3.917 -12.301 1.136 258 HH TYR 36 HH TYR 36 -3.211 -13.241 3.306 259 H ALA 37 HN ALA 37 -8.989 -11.396 -0.493 260 HA ALA 37 HA ALA 37 -7.735 -10.295 1.796 261 1HB ALA 37 HB1 ALA 37 -7.603 -9.248 -0.422 262 2HB ALA 37 HB2 ALA 37 -8.209 -8.123 0.792 263 3HB ALA 37 HB3 ALA 37 -9.325 -8.876 -0.349 264 H ALA 38 HN ALA 38 -11.095 -10.572 0.767 265 HA ALA 38 HA ALA 38 -12.247 -8.946 2.757 266 1HB ALA 38 HB1 ALA 38 -14.349 -10.103 2.214 267 2HB ALA 38 HB2 ALA 38 -13.442 -11.287 1.273 268 3HB ALA 38 HB3 ALA 38 -13.478 -9.600 0.766 269 H TYR 39 HN TYR 39 -11.327 -12.359 2.716 270 HA TYR 39 HA TYR 39 -12.430 -13.131 5.178 271 1HB TYR 39 HB2 TYR 39 -10.185 -14.118 3.475 272 2HB TYR 39 HB1 TYR 39 -10.205 -14.651 5.151 273 HD1 TYR 39 HD2 TYR 39 -12.335 -14.510 2.092 274 HD2 TYR 39 HD1 TYR 39 -11.548 -16.461 5.793 275 HE1 TYR 39 HE2 TYR 39 -13.985 -16.242 1.527 276 HE2 TYR 39 HE1 TYR 39 -13.187 -18.203 5.230 277 HH TYR 39 HH TYR 39 -15.150 -18.496 3.792 278 H ALA 40 HN ALA 40 -9.294 -11.671 4.404 279 HA ALA 40 HA ALA 40 -8.326 -11.604 7.074 280 1HB ALA 40 HB1 ALA 40 -6.594 -10.114 6.202 281 2HB ALA 40 HB2 ALA 40 -7.504 -9.918 4.703 282 3HB ALA 40 HB3 ALA 40 -6.835 -11.494 5.130 283 H LEU 41 HN LEU 41 -10.430 -9.563 5.235 284 HA LEU 41 HA LEU 41 -10.358 -7.441 7.265 285 1HB LEU 41 HB2 LEU 41 -11.741 -7.545 4.576 286 2HB LEU 41 HB1 LEU 41 -11.718 -6.159 5.651 287 HG LEU 41 HG LEU 41 -9.309 -7.364 4.273 288 1HD1 LEU 41 HD11 LEU 41 -10.775 -6.180 2.730 289 2HD1 LEU 41 HD12 LEU 41 -9.275 -5.290 2.985 290 3HD1 LEU 41 HD13 LEU 41 -10.758 -4.763 3.781 291 1HD2 LEU 41 HD21 LEU 41 -8.088 -5.420 5.145 292 2HD2 LEU 41 HD22 LEU 41 -8.700 -6.444 6.444 293 3HD2 LEU 41 HD23 LEU 41 -9.520 -4.931 6.053 294 H LYS 42 HN LYS 42 -11.639 -10.216 7.354 295 HA LYS 42 HA LYS 42 -13.548 -11.287 7.864 296 1HB LYS 42 HB2 LYS 42 -14.701 -10.499 9.880 297 2HB LYS 42 HB1 LYS 42 -12.956 -10.503 10.046 298 1HG LYS 42 HG2 LYS 42 -14.220 -7.953 9.217 299 2HG LYS 42 HG1 LYS 42 -14.499 -8.494 10.872 300 1HD LYS 42 HD2 LYS 42 -12.127 -8.582 11.302 301 2HD LYS 42 HD1 LYS 42 -11.766 -8.228 9.609 302 1HE LYS 42 HE2 LYS 42 -12.736 -6.039 9.813 303 2HE LYS 42 HE1 LYS 42 -13.265 -6.382 11.460 304 1HZ LYS 42 HZ1 LYS 42 -11.265 -5.064 11.491 305 2HZ LYS 42 HZ2 LYS 42 -10.454 -6.185 10.525 306 3HZ LYS 42 HZ3 LYS 42 -10.920 -6.606 12.093 307 H ASP 43 HN ASP 43 -13.906 -9.271 5.655 308 HA ASP 43 HA ASP 43 -16.740 -8.652 5.897 309 1HB ASP 43 HB2 ASP 43 -15.105 -7.164 4.622 310 2HB ASP 43 HB1 ASP 43 -15.044 -8.418 3.391 311 H PHE 44 HN PHE 44 -17.012 -11.010 6.383 312 HA PHE 44 HA PHE 44 -16.763 -12.907 4.276 313 1HB PHE 44 HB2 PHE 44 -18.194 -14.359 5.781 314 2HB PHE 44 HB1 PHE 44 -16.683 -13.787 6.473 315 HD1 PHE 44 HD1 PHE 44 -20.352 -13.359 6.511 316 HD2 PHE 44 HD2 PHE 44 -16.656 -12.387 8.397 317 HE1 PHE 44 HE1 PHE 44 -21.575 -12.475 8.453 318 HE2 PHE 44 HE2 PHE 44 -17.877 -11.501 10.338 319 HZ PHE 44 HZ PHE 44 -20.338 -11.544 10.369 320 H ASP 45 HN ASP 45 -19.041 -10.497 4.988 321 HA ASP 45 HA ASP 45 -21.376 -11.537 3.830 322 1HB ASP 45 HB2 ASP 45 -21.361 -9.426 5.081 323 2HB ASP 45 HB1 ASP 45 -20.347 -8.682 3.850 324 H TYR 46 HN TYR 46 -18.705 -9.673 2.388 325 HA TYR 46 HA TYR 46 -19.562 -9.711 -0.270 326 1HB TYR 46 HB2 TYR 46 -17.719 -8.294 0.328 327 2HB TYR 46 HB1 TYR 46 -16.769 -9.656 0.907 328 HD1 TYR 46 HD1 TYR 46 -18.341 -8.331 -2.223 329 HD2 TYR 46 HD2 TYR 46 -15.194 -10.632 -0.504 330 HE1 TYR 46 HE1 TYR 46 -17.295 -8.554 -4.438 331 HE2 TYR 46 HE2 TYR 46 -14.145 -10.855 -2.712 332 HH TYR 46 HH TYR 46 -14.831 -10.767 -5.092 333 H ILE 47 HN ILE 47 -17.689 -12.052 1.568 334 HA ILE 47 HA ILE 47 -16.904 -13.783 -0.454 335 HB ILE 47 HB ILE 47 -17.724 -14.529 2.364 336 1HG1 ILE 47 HG12 ILE 47 -16.046 -12.804 2.450 337 2HG1 ILE 47 HG11 ILE 47 -15.265 -14.335 2.828 338 1HG2 ILE 47 HG21 ILE 47 -17.559 -16.485 0.921 339 2HG2 ILE 47 HG22 ILE 47 -16.228 -16.456 2.078 340 3HG2 ILE 47 HG23 ILE 47 -15.948 -15.987 0.401 341 1HD1 ILE 47 HD11 ILE 47 -15.145 -12.833 0.227 342 2HD1 ILE 47 HD12 ILE 47 -14.469 -14.442 0.486 343 3HD1 ILE 47 HD13 ILE 47 -13.845 -13.067 1.395 344 H VAL 48 HN VAL 48 -19.712 -14.126 1.672 345 HA VAL 48 HA VAL 48 -20.918 -16.309 0.482 346 HB VAL 48 HB VAL 48 -22.284 -13.948 1.799 347 1HG1 VAL 48 HG11 VAL 48 -23.887 -15.319 0.581 348 2HG1 VAL 48 HG12 VAL 48 -24.094 -15.529 2.319 349 3HG1 VAL 48 HG13 VAL 48 -23.274 -16.772 1.372 350 1HG2 VAL 48 HG21 VAL 48 -20.554 -14.936 3.208 351 2HG2 VAL 48 HG22 VAL 48 -21.267 -16.534 2.985 352 3HG2 VAL 48 HG23 VAL 48 -22.160 -15.281 3.848 353 H GLU 49 HN GLU 49 -21.376 -12.864 -0.268 354 HA GLU 49 HA GLU 49 -23.426 -13.116 -2.144 355 1HB GLU 49 HB2 GLU 49 -21.208 -11.061 -2.020 356 2HB GLU 49 HB1 GLU 49 -22.666 -10.910 -2.994 357 1HG GLU 49 HG2 GLU 49 -24.039 -10.907 -0.997 358 2HG GLU 49 HG1 GLU 49 -22.611 -11.144 0.009 359 H THR 50 HN THR 50 -19.927 -13.322 -2.558 360 HA THR 50 HA THR 50 -20.228 -13.717 -5.441 361 HB THR 50 HB THR 50 -17.655 -13.744 -5.332 362 HG1 THR 50 HG1 THR 50 -18.031 -12.444 -2.846 363 1HG2 THR 50 HG21 THR 50 -19.156 -11.253 -4.494 364 2HG2 THR 50 HG22 THR 50 -18.931 -11.821 -6.149 365 3HG2 THR 50 HG23 THR 50 -17.540 -11.289 -5.202 366 H THR 51 HN THR 51 -20.929 -15.711 -3.241 367 HA THR 51 HA THR 51 -19.294 -17.967 -4.170 368 HB THR 51 HB THR 51 -21.395 -17.900 -1.980 369 HG1 THR 51 HG1 THR 51 -19.645 -16.760 -1.265 370 1HG2 THR 51 HG21 THR 51 -21.100 -20.133 -3.001 371 2HG2 THR 51 HG22 THR 51 -20.509 -20.085 -1.339 372 3HG2 THR 51 HG23 THR 51 -19.366 -20.037 -2.682 373 H ASP 52 HN ASP 52 -20.282 -19.801 -5.061 374 HA ASP 52 HA ASP 52 -22.082 -19.507 -7.090 375 1HB ASP 52 HB2 ASP 52 -20.579 -21.498 -6.573 376 2HB ASP 52 HB1 ASP 52 -21.815 -22.031 -5.448 377 HA PRO 53 HA PRO 53 -26.118 -18.852 -5.329 378 1HB PRO 53 HB2 PRO 53 -27.525 -20.437 -7.192 379 2HB PRO 53 HB1 PRO 53 -27.192 -18.709 -7.326 380 1HG PRO 53 HG2 PRO 53 -25.743 -21.020 -8.538 381 2HG PRO 53 HG1 PRO 53 -26.048 -19.406 -9.208 382 1HD PRO 53 HD2 PRO 53 -23.636 -20.073 -8.271 383 2HD PRO 53 HD1 PRO 53 -24.293 -18.446 -8.003 384 H GLU 54 HN GLU 54 -25.154 -22.137 -6.262 385 HA GLU 54 HA GLU 54 -27.062 -23.437 -4.562 386 1HB GLU 54 HB2 GLU 54 -24.537 -24.518 -5.845 387 2HB GLU 54 HB1 GLU 54 -25.790 -25.491 -5.086 388 1HG GLU 54 HG2 GLU 54 -27.397 -24.772 -6.770 389 2HG GLU 54 HG1 GLU 54 -26.173 -23.745 -7.515 390 H ARG 55 HN ARG 55 -23.606 -22.685 -4.339 391 HA ARG 55 HA ARG 55 -23.242 -24.088 -1.860 392 1HB ARG 55 HB2 ARG 55 -21.437 -22.018 -3.124 393 2HB ARG 55 HB1 ARG 55 -20.990 -23.181 -1.885 394 1HG ARG 55 HG2 ARG 55 -21.771 -23.806 -4.725 395 2HG ARG 55 HG1 ARG 55 -20.148 -23.854 -4.044 396 1HD ARG 55 HD2 ARG 55 -20.987 -25.601 -2.438 397 2HD ARG 55 HD1 ARG 55 -22.478 -25.645 -3.383 398 HE ARG 55 HE ARG 55 -20.009 -26.051 -4.859 399 1HH1 ARG 55 HH11 ARG 55 -22.790 -27.527 -3.316 400 2HH1 ARG 55 HH12 ARG 55 -22.558 -29.058 -4.093 401 1HH2 ARG 55 HH21 ARG 55 -19.718 -28.074 -5.891 402 2HH2 ARG 55 HH22 ARG 55 -20.833 -29.361 -5.565 403 H ARG 56 HN ARG 56 -24.199 -20.905 -2.755 404 HA ARG 56 HA ARG 56 -23.313 -19.453 -0.519 405 1HB ARG 56 HB2 ARG 56 -24.039 -18.418 -2.628 406 2HB ARG 56 HB1 ARG 56 -25.689 -18.941 -2.326 407 1HG ARG 56 HG2 ARG 56 -25.954 -17.434 -0.535 408 2HG ARG 56 HG1 ARG 56 -24.218 -17.138 -0.427 409 1HD ARG 56 HD2 ARG 56 -25.387 -15.255 -1.466 410 2HD ARG 56 HD1 ARG 56 -24.249 -16.008 -2.582 411 HE ARG 56 HE ARG 56 -27.173 -16.449 -2.656 412 1HH1 ARG 56 HH11 ARG 56 -24.080 -16.121 -4.281 413 2HH1 ARG 56 HH12 ARG 56 -24.768 -16.184 -5.872 414 1HH2 ARG 56 HH21 ARG 56 -28.068 -16.546 -4.773 415 2HH2 ARG 56 HH22 ARG 56 -27.018 -16.414 -6.148 416 H ASP 57 HN ASP 57 -26.101 -21.464 -1.066 417 HA ASP 57 HA ASP 57 -27.594 -20.683 1.228 418 1HB ASP 57 HB2 ASP 57 -28.651 -21.832 -0.658 419 2HB ASP 57 HB1 ASP 57 -27.644 -23.250 -0.388 420 H LEU 58 HN LEU 58 -24.839 -22.671 0.747 421 HA LEU 58 HA LEU 58 -25.215 -24.274 3.139 422 1HB LEU 58 HB2 LEU 58 -22.828 -24.124 1.288 423 2HB LEU 58 HB1 LEU 58 -23.144 -25.366 2.487 424 HG LEU 58 HG LEU 58 -24.803 -24.873 0.004 425 1HD1 LEU 58 HD11 LEU 58 -22.823 -27.067 0.626 426 2HD1 LEU 58 HD12 LEU 58 -22.605 -25.763 -0.542 427 3HD1 LEU 58 HD13 LEU 58 -23.855 -26.979 -0.803 428 1HD2 LEU 58 HD21 LEU 58 -26.146 -25.765 1.832 429 2HD2 LEU 58 HD22 LEU 58 -24.978 -27.063 2.080 430 3HD2 LEU 58 HD23 LEU 58 -25.907 -26.986 0.582 431 H PHE 59 HN PHE 59 -23.902 -21.250 2.377 432 HA PHE 59 HA PHE 59 -21.733 -21.278 4.277 433 1HB PHE 59 HB2 PHE 59 -22.916 -19.220 2.439 434 2HB PHE 59 HB1 PHE 59 -21.847 -18.703 3.739 435 HD1 PHE 59 HD1 PHE 59 -21.425 -21.912 1.959 436 HD2 PHE 59 HD2 PHE 59 -20.131 -17.863 2.300 437 HE1 PHE 59 HE1 PHE 59 -19.459 -22.423 0.572 438 HE2 PHE 59 HE2 PHE 59 -18.163 -18.376 0.918 439 HZ PHE 59 HZ PHE 59 -17.825 -20.657 0.051 440 H ASP 60 HN ASP 60 -21.573 -20.000 6.151 441 HA ASP 60 HA ASP 60 -24.050 -18.923 7.288 442 1HB ASP 60 HB2 ASP 60 -23.952 -21.192 8.174 443 2HB ASP 60 HB1 ASP 60 -22.273 -20.969 8.655 444 H HIS 61 HN HIS 61 -23.721 -17.237 8.734 445 HA HIS 61 HA HIS 61 -21.589 -15.546 8.245 446 1HB HIS 61 HB2 HIS 61 -23.406 -15.632 10.667 447 2HB HIS 61 HB1 HIS 61 -22.328 -14.295 10.287 448 HD1 HIS 61 HD1 HIS 61 -25.727 -15.297 9.900 449 HD2 HIS 61 HD2 HIS 61 -23.015 -13.178 7.572 450 HE1 HIS 61 HE1 HIS 61 -27.116 -14.000 8.260 451 HE2 HIS 61 HE2 HIS 61 -25.463 -12.574 7.005 452 H ASP 62 HN ASP 62 -22.041 -17.688 11.054 453 HA ASP 62 HA ASP 62 -19.655 -16.774 12.352 454 1HB ASP 62 HB2 ASP 62 -21.438 -19.155 12.908 455 2HB ASP 62 HB1 ASP 62 -20.100 -18.655 13.939 456 H VAL 63 HN VAL 63 -20.537 -19.603 10.442 457 HA VAL 63 HA VAL 63 -18.133 -21.038 10.780 458 HB VAL 63 HB VAL 63 -19.998 -21.072 8.388 459 1HG1 VAL 63 HG11 VAL 63 -19.082 -23.308 7.967 460 2HG1 VAL 63 HG12 VAL 63 -17.970 -23.110 9.321 461 3HG1 VAL 63 HG13 VAL 63 -17.820 -22.077 7.899 462 1HG2 VAL 63 HG21 VAL 63 -21.185 -21.560 10.470 463 2HG2 VAL 63 HG22 VAL 63 -19.989 -22.791 10.879 464 3HG2 VAL 63 HG23 VAL 63 -21.041 -23.014 9.481 465 H ASN 64 HN ASN 64 -19.126 -18.579 8.451 466 HA ASN 64 HA ASN 64 -16.836 -18.630 6.815 467 1HB ASN 64 HB2 ASN 64 -18.791 -16.401 7.429 468 2HB ASN 64 HB1 ASN 64 -17.508 -16.254 6.232 469 1HD2 ASN 64 HD21 ASN 64 -20.452 -16.200 5.961 470 2HD2 ASN 64 HD22 ASN 64 -20.820 -17.414 4.793 471 H ARG 65 HN ARG 65 -17.561 -16.974 9.823 472 HA ARG 65 HA ARG 65 -15.128 -15.473 9.929 473 1HB ARG 65 HB2 ARG 65 -17.108 -14.756 11.174 474 2HB ARG 65 HB1 ARG 65 -17.082 -16.245 12.112 475 1HG ARG 65 HG2 ARG 65 -14.879 -15.582 13.029 476 2HG ARG 65 HG1 ARG 65 -15.007 -14.055 12.156 477 1HD ARG 65 HD2 ARG 65 -16.992 -15.020 14.217 478 2HD ARG 65 HD1 ARG 65 -15.657 -13.920 14.558 479 HE ARG 65 HE ARG 65 -18.009 -13.324 12.888 480 1HH1 ARG 65 HH11 ARG 65 -15.186 -12.266 14.664 481 2HH1 ARG 65 HH12 ARG 65 -15.603 -10.583 14.580 482 1HH2 ARG 65 HH21 ARG 65 -18.565 -11.085 12.785 483 2HH2 ARG 65 HH22 ARG 65 -17.491 -9.917 13.485 484 H ALA 66 HN ALA 66 -16.140 -18.652 10.964 485 HA ALA 66 HA ALA 66 -14.372 -19.245 12.977 486 1HB ALA 66 HB1 ALA 66 -14.709 -21.595 12.432 487 2HB ALA 66 HB2 ALA 66 -15.339 -21.151 10.845 488 3HB ALA 66 HB3 ALA 66 -16.223 -20.699 12.302 489 H TRP 67 HN TRP 67 -13.772 -19.454 9.489 490 HA TRP 67 HA TRP 67 -11.315 -20.790 9.622 491 1HB TRP 67 HB2 TRP 67 -12.443 -18.915 7.539 492 2HB TRP 67 HB1 TRP 67 -10.908 -19.754 7.335 493 HD1 TRP 67 HD1 TRP 67 -11.301 -22.623 7.894 494 HE1 TRP 67 HE1 TRP 67 -13.060 -24.109 6.747 495 HE3 TRP 67 HE3 TRP 67 -14.548 -18.990 6.337 496 HZ2 TRP 67 HZ2 TRP 67 -15.495 -23.787 5.367 497 HZ3 TRP 67 HZ3 TRP 67 -16.567 -19.667 5.106 498 HH2 TRP 67 HH2 TRP 67 -17.030 -22.017 4.631 499 H MET 68 HN MET 68 -11.970 -17.272 9.526 500 HA MET 68 HA MET 68 -9.208 -16.561 9.505 501 1HB MET 68 HB2 MET 68 -9.900 -14.295 9.788 502 2HB MET 68 HB1 MET 68 -11.086 -15.058 8.741 503 1HG MET 68 HG2 MET 68 -12.660 -15.224 10.548 504 2HG MET 68 HG1 MET 68 -11.463 -14.640 11.702 505 1HE MET 68 HE1 MET 68 -10.064 -12.325 9.912 506 2HE MET 68 HE2 MET 68 -10.448 -12.159 11.626 507 3HE MET 68 HE3 MET 68 -10.975 -10.926 10.481 508 H GLU 69 HN GLU 69 -11.466 -17.354 11.988 509 HA GLU 69 HA GLU 69 -10.249 -16.089 14.196 510 1HB GLU 69 HB2 GLU 69 -11.926 -18.610 14.097 511 2HB GLU 69 HB1 GLU 69 -11.575 -17.679 15.548 512 1HG GLU 69 HG2 GLU 69 -12.998 -16.530 13.162 513 2HG GLU 69 HG1 GLU 69 -13.840 -17.301 14.501 514 H GLU 70 HN GLU 70 -9.596 -19.083 12.532 515 HA GLU 70 HA GLU 70 -7.610 -19.829 14.583 516 1HB GLU 70 HB2 GLU 70 -7.816 -22.134 13.614 517 2HB GLU 70 HB1 GLU 70 -9.280 -21.525 14.374 518 1HG GLU 70 HG2 GLU 70 -10.051 -20.852 12.055 519 2HG GLU 70 HG1 GLU 70 -8.696 -21.795 11.434 520 H SER 71 HN SER 71 -8.002 -18.831 11.328 521 HA SER 71 HA SER 71 -5.185 -19.498 10.766 522 1HB SER 71 HB2 SER 71 -7.442 -19.401 8.742 523 2HB SER 71 HB1 SER 71 -5.763 -19.846 8.427 524 HG SER 71 HG SER 71 -7.750 -21.257 9.839 525 H ASP 72 HN ASP 72 -4.243 -17.588 11.192 526 HA ASP 72 HA ASP 72 -5.294 -15.046 10.370 527 1HB ASP 72 HB2 ASP 72 -3.823 -15.275 12.343 528 2HB ASP 72 HB1 ASP 72 -2.519 -15.840 11.311 529 H PHE 73 HN PHE 73 -5.333 -14.455 8.267 530 HA PHE 73 HA PHE 73 -3.833 -15.906 6.309 531 1HB PHE 73 HB2 PHE 73 -5.569 -13.441 6.007 532 2HB PHE 73 HB1 PHE 73 -4.966 -14.434 4.682 533 HD1 PHE 73 HD2 PHE 73 -5.714 -16.834 4.518 534 HD2 PHE 73 HD1 PHE 73 -7.526 -14.048 7.187 535 HE1 PHE 73 HE2 PHE 73 -7.670 -18.310 4.728 536 HE2 PHE 73 HE1 PHE 73 -9.479 -15.526 7.402 537 HZ PHE 73 HZ PHE 73 -9.555 -17.658 6.172 538 H LEU 74 HN LEU 74 -1.763 -15.563 5.852 539 HA LEU 74 HA LEU 74 -0.550 -12.955 6.382 540 1HB LEU 74 HB2 LEU 74 0.539 -15.714 5.943 541 2HB LEU 74 HB1 LEU 74 1.572 -14.337 5.621 542 HG LEU 74 HG LEU 74 1.341 -13.579 7.938 543 1HD1 LEU 74 HD11 LEU 74 -0.901 -14.390 8.412 544 2HD1 LEU 74 HD12 LEU 74 0.246 -14.972 9.618 545 3HD1 LEU 74 HD13 LEU 74 -0.327 -16.056 8.350 546 1HD2 LEU 74 HD21 LEU 74 3.167 -15.091 7.379 547 2HD2 LEU 74 HD22 LEU 74 2.139 -16.484 7.721 548 3HD2 LEU 74 HD23 LEU 74 2.594 -15.382 9.021 549 H GLU 75 HN GLU 75 -0.478 -15.338 3.702 550 HA GLU 75 HA GLU 75 -0.507 -13.155 1.777 551 1HB GLU 75 HB2 GLU 75 1.882 -13.412 2.303 552 2HB GLU 75 HB1 GLU 75 1.793 -15.125 1.914 553 1HG GLU 75 HG2 GLU 75 1.281 -14.591 -0.408 554 2HG GLU 75 HG1 GLU 75 1.300 -12.870 -0.031 555 H LEU 76 HN LEU 76 -1.092 -13.768 -0.289 556 HA LEU 76 HA LEU 76 -2.079 -16.529 -0.605 557 1HB LEU 76 HB2 LEU 76 -3.828 -14.761 -0.459 558 2HB LEU 76 HB1 LEU 76 -3.130 -13.973 -1.855 559 HG LEU 76 HG LEU 76 -5.245 -15.364 -2.206 560 1HD1 LEU 76 HD11 LEU 76 -2.853 -16.003 -3.923 561 2HD1 LEU 76 HD12 LEU 76 -3.854 -14.556 -4.040 562 3HD1 LEU 76 HD13 LEU 76 -4.549 -16.139 -4.391 563 1HD2 LEU 76 HD21 LEU 76 -4.937 -17.767 -2.540 564 2HD2 LEU 76 HD22 LEU 76 -4.613 -17.301 -0.872 565 3HD2 LEU 76 HD23 LEU 76 -3.272 -17.639 -1.968 566 H ARG 77 HN ARG 77 -1.357 -17.651 -2.349 567 HA ARG 77 HA ARG 77 0.331 -16.258 -4.307 568 1HB ARG 77 HB2 ARG 77 1.826 -17.161 -2.610 569 2HB ARG 77 HB1 ARG 77 1.059 -18.739 -2.725 570 1HG ARG 77 HG2 ARG 77 1.892 -19.019 -4.983 571 2HG ARG 77 HG1 ARG 77 2.595 -17.399 -4.951 572 1HD ARG 77 HD2 ARG 77 4.067 -18.085 -3.108 573 2HD ARG 77 HD1 ARG 77 3.361 -19.701 -3.149 574 HE ARG 77 HE ARG 77 4.371 -19.014 -5.700 575 1HH1 ARG 77 HH11 ARG 77 5.455 -19.910 -2.494 576 2HH1 ARG 77 HH12 ARG 77 6.925 -20.639 -3.060 577 1HH2 ARG 77 HH21 ARG 77 6.323 -19.980 -6.441 578 2HH2 ARG 77 HH22 ARG 77 7.409 -20.689 -5.286 579 H VAL 78 HN VAL 78 -0.795 -16.553 -6.106 580 HA VAL 78 HA VAL 78 -2.359 -18.905 -6.636 581 HB VAL 78 HB VAL 78 -1.618 -16.547 -8.379 582 1HG1 VAL 78 HG11 VAL 78 -3.615 -18.755 -8.925 583 2HG1 VAL 78 HG12 VAL 78 -2.107 -18.476 -9.796 584 3HG1 VAL 78 HG13 VAL 78 -3.414 -17.297 -9.898 585 1HG2 VAL 78 HG21 VAL 78 -3.016 -15.933 -6.494 586 2HG2 VAL 78 HG22 VAL 78 -4.165 -17.209 -6.897 587 3HG2 VAL 78 HG23 VAL 78 -3.948 -15.841 -7.989 588 H LEU 79 HN LEU 79 -1.897 -20.577 -8.002 589 HA LEU 79 HA LEU 79 0.899 -20.841 -8.874 590 1HB LEU 79 HB2 LEU 79 -1.230 -22.974 -8.601 591 2HB LEU 79 HB1 LEU 79 0.467 -23.239 -8.947 592 HG LEU 79 HG LEU 79 -0.723 -22.240 -6.354 593 1HD1 LEU 79 HD11 LEU 79 0.240 -24.285 -5.420 594 2HD1 LEU 79 HD12 LEU 79 0.793 -24.760 -7.026 595 3HD1 LEU 79 HD13 LEU 79 -0.933 -24.637 -6.688 596 1HD2 LEU 79 HD21 LEU 79 2.186 -22.560 -7.098 597 2HD2 LEU 79 HD22 LEU 79 1.571 -22.222 -5.479 598 3HD2 LEU 79 HD23 LEU 79 1.348 -21.042 -6.770 599 H GLY 80 HN GLY 80 -2.424 -21.408 -9.961 600 1HA GLY 80 HA2 GLY 80 -1.767 -20.527 -12.642 601 2HA GLY 80 HA1 GLY 80 -2.195 -22.231 -12.520 602 H SER 81 HN SER 81 -3.717 -20.465 -14.042 603 HA SER 81 HA SER 81 -6.306 -20.785 -12.865 604 1HB SER 81 HB2 SER 81 -5.677 -18.741 -11.692 605 2HB SER 81 HB1 SER 81 -5.213 -17.976 -13.210 606 HG SER 81 HG SER 81 -7.196 -17.360 -13.363 607 H SER 82 HN SER 82 -7.983 -20.506 -14.380 608 HA SER 82 HA SER 82 -7.379 -19.547 -17.048 609 1HB SER 82 HB2 SER 82 -8.154 -22.446 -16.590 610 2HB SER 82 HB1 SER 82 -8.011 -21.659 -18.162 611 HG SER 82 HG SER 82 -5.751 -21.198 -16.924 612 H GLU 83 HN GLU 83 -9.118 -18.519 -17.815 613 HA GLU 83 HA GLU 83 -11.788 -19.190 -16.802 614 1HB GLU 83 HB2 GLU 83 -11.360 -16.823 -16.821 615 2HB GLU 83 HB1 GLU 83 -10.770 -16.878 -18.477 616 1HG GLU 83 HG2 GLU 83 -12.978 -17.340 -19.314 617 2HG GLU 83 HG1 GLU 83 -13.610 -17.503 -17.682 618 H LYS 84 HN LYS 84 -13.161 -20.394 -17.954 619 HA LYS 84 HA LYS 84 -12.681 -20.755 -20.840 620 1HB LYS 84 HB2 LYS 84 -13.591 -22.864 -18.858 621 2HB LYS 84 HB1 LYS 84 -13.518 -23.084 -20.600 622 1HG LYS 84 HG2 LYS 84 -11.153 -22.522 -18.813 623 2HG LYS 84 HG1 LYS 84 -11.607 -24.104 -19.451 624 1HD LYS 84 HD2 LYS 84 -10.859 -21.690 -21.108 625 2HD LYS 84 HD1 LYS 84 -9.799 -23.055 -20.757 626 1HE LYS 84 HE2 LYS 84 -11.295 -24.555 -21.954 627 2HE LYS 84 HE1 LYS 84 -12.429 -23.234 -22.239 628 1HZ LYS 84 HZ1 LYS 84 -10.655 -22.104 -23.501 629 2HZ LYS 84 HZ2 LYS 84 -11.120 -23.575 -24.191 630 3HZ LYS 84 HZ3 LYS 84 -9.675 -23.474 -23.320 631 H GLY 85 HN GLY 85 -14.195 -18.968 -21.010 632 1HA GLY 85 HA2 GLY 85 -16.249 -18.213 -21.680 633 2HA GLY 85 HA1 GLY 85 -16.782 -19.885 -21.687 634 H SER 86 HN SER 86 -17.459 -20.807 -19.610 635 HA SER 86 HA SER 86 -18.583 -18.771 -17.793 636 1HB SER 86 HB2 SER 86 -20.538 -20.422 -17.571 637 2HB SER 86 HB1 SER 86 -20.422 -19.526 -19.086 638 HG SER 86 HG SER 86 -20.146 -22.225 -18.603 639 H ARG 87 HN ARG 87 -16.500 -21.328 -18.035 640 HA ARG 87 HA ARG 87 -16.852 -22.040 -15.190 641 1HB ARG 87 HB2 ARG 87 -17.364 -23.957 -16.620 642 2HB ARG 87 HB1 ARG 87 -15.830 -23.775 -17.456 643 1HG ARG 87 HG2 ARG 87 -15.789 -25.617 -15.844 644 2HG ARG 87 HG1 ARG 87 -14.618 -24.362 -15.437 645 1HD ARG 87 HD2 ARG 87 -15.816 -25.204 -13.457 646 2HD ARG 87 HD1 ARG 87 -16.098 -23.486 -13.728 647 HE ARG 87 HE ARG 87 -18.277 -24.159 -14.720 648 1HH1 ARG 87 HH11 ARG 87 -16.667 -26.319 -12.485 649 2HH1 ARG 87 HH12 ARG 87 -18.130 -27.089 -11.969 650 1HH2 ARG 87 HH21 ARG 87 -20.209 -25.153 -14.030 651 2HH2 ARG 87 HH22 ARG 87 -20.143 -26.416 -12.840 652 H GLY 88 HN GLY 88 -15.133 -21.738 -13.895 653 1HA GLY 88 HA2 GLY 88 -12.540 -21.094 -15.173 654 2HA GLY 88 HA1 GLY 88 -13.171 -20.193 -13.800 655 H THR 89 HN THR 89 -10.668 -21.551 -13.939 656 HA THR 89 HA THR 89 -10.966 -23.210 -11.556 657 HB THR 89 HB THR 89 -9.367 -24.176 -13.950 658 HG1 THR 89 HG1 THR 89 -12.029 -24.564 -13.209 659 1HG2 THR 89 HG21 THR 89 -10.127 -25.543 -11.357 660 2HG2 THR 89 HG22 THR 89 -8.522 -24.942 -11.775 661 3HG2 THR 89 HG23 THR 89 -9.227 -26.277 -12.686 662 H VAL 90 HN VAL 90 -9.346 -22.786 -10.118 663 HA VAL 90 HA VAL 90 -6.852 -21.612 -11.108 664 HB VAL 90 HB VAL 90 -8.145 -19.661 -10.545 665 1HG1 VAL 90 HG11 VAL 90 -9.088 -19.266 -8.336 666 2HG1 VAL 90 HG12 VAL 90 -8.584 -20.876 -7.818 667 3HG1 VAL 90 HG13 VAL 90 -9.803 -20.696 -9.081 668 1HG2 VAL 90 HG21 VAL 90 -5.781 -19.580 -9.952 669 2HG2 VAL 90 HG22 VAL 90 -6.140 -20.243 -8.357 670 3HG2 VAL 90 HG23 VAL 90 -6.739 -18.645 -8.803 671 H GLU 91 HN GLU 91 -5.189 -22.580 -10.290 672 HA GLU 91 HA GLU 91 -5.340 -24.187 -7.850 673 1HB GLU 91 HB2 GLU 91 -4.229 -25.013 -9.972 674 2HB GLU 91 HB1 GLU 91 -3.024 -23.752 -9.767 675 1HG GLU 91 HG2 GLU 91 -1.993 -25.651 -8.911 676 2HG GLU 91 HG1 GLU 91 -2.578 -24.815 -7.473 677 H PHE 92 HN PHE 92 -4.388 -23.483 -5.914 678 HA PHE 92 HA PHE 92 -2.550 -21.226 -5.988 679 1HB PHE 92 HB2 PHE 92 -3.904 -19.788 -4.546 680 2HB PHE 92 HB1 PHE 92 -4.753 -20.132 -6.049 681 HD1 PHE 92 HD1 PHE 92 -4.685 -20.711 -2.426 682 HD2 PHE 92 HD2 PHE 92 -6.759 -21.492 -6.067 683 HE1 PHE 92 HE1 PHE 92 -6.624 -21.515 -1.145 684 HE2 PHE 92 HE2 PHE 92 -8.697 -22.295 -4.789 685 HZ PHE 92 HZ PHE 92 -8.635 -22.310 -2.328 686 H ILE 93 HN ILE 93 -1.882 -20.541 -3.810 687 HA ILE 93 HA ILE 93 -2.121 -22.590 -1.718 688 HB ILE 93 HB ILE 93 0.426 -21.190 -2.597 689 1HG1 ILE 93 HG12 ILE 93 -0.306 -24.127 -2.388 690 2HG1 ILE 93 HG11 ILE 93 -0.108 -23.214 -3.877 691 1HG2 ILE 93 HG21 ILE 93 -0.027 -22.880 -0.128 692 2HG2 ILE 93 HG22 ILE 93 0.295 -21.147 -0.161 693 3HG2 ILE 93 HG23 ILE 93 1.535 -22.283 -0.691 694 1HD1 ILE 93 HD11 ILE 93 2.052 -23.826 -1.871 695 2HD1 ILE 93 HD12 ILE 93 2.261 -22.895 -3.355 696 3HD1 ILE 93 HD13 ILE 93 1.826 -24.602 -3.439 697 H ALA 94 HN ALA 94 -3.029 -21.666 0.005 698 HA ALA 94 HA ALA 94 -2.731 -18.771 0.431 699 1HB ALA 94 HB1 ALA 94 -4.675 -20.720 1.685 700 2HB ALA 94 HB2 ALA 94 -5.027 -19.632 0.341 701 3HB ALA 94 HB3 ALA 94 -4.652 -18.974 1.934 702 H ARG 95 HN ARG 95 -1.132 -18.206 1.786 703 HA ARG 95 HA ARG 95 -0.220 -20.109 3.818 704 1HB ARG 95 HB2 ARG 95 1.498 -19.076 2.389 705 2HB ARG 95 HB1 ARG 95 0.988 -17.477 2.919 706 1HG ARG 95 HG2 ARG 95 1.622 -18.079 5.238 707 2HG ARG 95 HG1 ARG 95 2.210 -19.633 4.645 708 1HD ARG 95 HD2 ARG 95 3.812 -18.441 3.191 709 2HD ARG 95 HD1 ARG 95 3.241 -16.908 3.853 710 HE ARG 95 HE ARG 95 4.060 -17.743 6.057 711 1HH1 ARG 95 HH11 ARG 95 5.364 -19.123 3.120 712 2HH1 ARG 95 HH12 ARG 95 6.918 -19.453 3.810 713 1HH2 ARG 95 HH21 ARG 95 6.084 -18.217 6.987 714 2HH2 ARG 95 HH22 ARG 95 7.324 -18.961 6.024 715 H PHE 96 HN PHE 96 -0.973 -19.965 5.796 716 HA PHE 96 HA PHE 96 -1.621 -17.352 6.934 717 1HB PHE 96 HB2 PHE 96 -3.707 -18.474 7.958 718 2HB PHE 96 HB1 PHE 96 -3.784 -17.990 6.268 719 HD1 PHE 96 HD1 PHE 96 -2.959 -20.973 8.376 720 HD2 PHE 96 HD2 PHE 96 -4.563 -19.502 4.712 721 HE1 PHE 96 HE1 PHE 96 -3.606 -23.259 7.741 722 HE2 PHE 96 HE2 PHE 96 -5.216 -21.786 4.080 723 HZ PHE 96 HZ PHE 96 -4.739 -23.667 5.594 724 H ARG 97 HN ARG 97 -1.531 -17.277 9.181 725 HA ARG 97 HA ARG 97 0.131 -19.307 10.425 726 1HB ARG 97 HB2 ARG 97 0.675 -16.921 10.707 727 2HB ARG 97 HB1 ARG 97 -0.904 -16.634 11.413 728 1HG ARG 97 HG2 ARG 97 -0.329 -18.052 13.313 729 2HG ARG 97 HG1 ARG 97 1.256 -18.368 12.595 730 1HD ARG 97 HD2 ARG 97 1.176 -16.570 14.382 731 2HD ARG 97 HD1 ARG 97 1.935 -16.121 12.855 732 HE ARG 97 HE ARG 97 -0.335 -15.101 12.314 733 1HH1 ARG 97 HH11 ARG 97 0.854 -15.362 15.597 734 2HH1 ARG 97 HH12 ARG 97 0.048 -13.921 16.130 735 1HH2 ARG 97 HH21 ARG 97 -1.405 -13.229 13.011 736 2HH2 ARG 97 HH22 ARG 97 -1.265 -12.725 14.669 737 H ARG 98 HN ARG 98 -0.936 -21.019 11.206 738 HA ARG 98 HA ARG 98 -3.663 -20.627 12.252 739 1HB ARG 98 HB2 ARG 98 -3.461 -22.102 10.267 740 2HB ARG 98 HB1 ARG 98 -2.387 -23.157 11.176 741 1HG ARG 98 HG2 ARG 98 -4.150 -23.765 12.685 742 2HG ARG 98 HG1 ARG 98 -5.230 -22.555 11.987 743 1HD ARG 98 HD2 ARG 98 -5.170 -23.767 9.841 744 2HD ARG 98 HD1 ARG 98 -4.125 -24.986 10.572 745 HE ARG 98 HE ARG 98 -5.941 -25.735 11.878 746 1HH1 ARG 98 HH11 ARG 98 -6.855 -23.171 9.665 747 2HH1 ARG 98 HH12 ARG 98 -8.547 -23.570 9.711 748 1HH2 ARG 98 HH21 ARG 98 -8.179 -26.219 11.962 749 2HH2 ARG 98 HH22 ARG 98 -9.296 -25.255 11.048 750 H GLY 99 HN GLY 99 -3.493 -20.343 14.373 751 1HA GLY 99 HA2 GLY 99 -3.268 -21.260 16.560 752 2HA GLY 99 HA1 GLY 99 -2.010 -22.334 15.958 753 H GLY 100 HN GLY 100 -1.206 -21.252 18.124 754 1HA GLY 100 HA2 GLY 100 -0.052 -18.615 17.746 755 2HA GLY 100 HA1 GLY 100 0.070 -19.620 19.183 756 H GLY 101 HN GLY 101 1.281 -19.278 15.860 757 1HA GLY 101 HA2 GLY 101 3.857 -19.103 16.068 758 2HA GLY 101 HA1 GLY 101 3.711 -20.752 16.643 759 HA PRO 102 HA PRO 102 4.013 -22.497 12.746 760 1HB PRO 102 HB2 PRO 102 1.871 -24.128 12.325 761 2HB PRO 102 HB1 PRO 102 3.145 -24.476 13.501 762 1HG PRO 102 HG2 PRO 102 0.438 -23.267 13.948 763 2HG PRO 102 HG1 PRO 102 1.276 -24.512 14.894 764 1HD PRO 102 HD2 PRO 102 1.206 -21.922 15.669 765 2HD PRO 102 HD1 PRO 102 2.607 -22.964 15.988 766 H GLU 103 HN GLU 103 3.949 -21.725 10.773 767 HA GLU 103 HA GLU 103 1.528 -20.433 9.731 768 1HB GLU 103 HB2 GLU 103 4.369 -20.524 8.682 769 2HB GLU 103 HB1 GLU 103 3.037 -19.723 7.863 770 1HG GLU 103 HG2 GLU 103 2.836 -18.095 9.564 771 2HG GLU 103 HG1 GLU 103 3.892 -18.996 10.650 772 H GLN 104 HN GLN 104 0.179 -21.713 8.654 773 HA GLN 104 HA GLN 104 1.224 -24.102 7.287 774 1HB GLN 104 HB2 GLN 104 -0.434 -24.534 9.055 775 2HB GLN 104 HB1 GLN 104 -1.578 -23.466 8.255 776 1HG GLN 104 HG2 GLN 104 -1.642 -24.981 6.330 777 2HG GLN 104 HG1 GLN 104 -0.499 -26.052 7.139 778 1HE2 GLN 104 HE21 GLN 104 -1.697 -25.659 9.771 779 2HE2 GLN 104 HE22 GLN 104 -3.180 -26.543 9.759 780 H SER 105 HN SER 105 0.500 -24.557 5.158 781 HA SER 105 HA SER 105 -0.698 -22.261 3.759 782 1HB SER 105 HB2 SER 105 0.805 -22.865 1.808 783 2HB SER 105 HB1 SER 105 1.628 -22.185 3.209 784 HG SER 105 HG SER 105 1.990 -24.475 3.817 785 H HIS 106 HN HIS 106 -2.524 -22.769 2.823 786 HA HIS 106 HA HIS 106 -3.254 -25.566 2.440 787 1HB HIS 106 HB2 HIS 106 -4.756 -23.835 3.578 788 2HB HIS 106 HB1 HIS 106 -4.993 -23.126 1.987 789 HD1 HIS 106 HD1 HIS 106 -7.282 -24.373 3.733 790 HD2 HIS 106 HD2 HIS 106 -5.321 -26.295 0.612 791 HE1 HIS 106 HE1 HIS 106 -8.853 -26.169 2.952 792 HE2 HIS 106 HE2 HIS 106 -7.730 -27.171 0.938 793 H HIS 107 HN HIS 107 -2.470 -26.360 0.578 794 HA HIS 107 HA HIS 107 -2.644 -24.764 -1.883 795 1HB HIS 107 HB2 HIS 107 -0.484 -25.783 -1.571 796 2HB HIS 107 HB1 HIS 107 -1.204 -27.346 -1.218 797 HD1 HIS 107 HD1 HIS 107 0.410 -28.227 -3.148 798 HD2 HIS 107 HD2 HIS 107 -2.655 -25.713 -4.389 799 HE1 HIS 107 HE1 HIS 107 0.230 -28.551 -5.633 800 HE2 HIS 107 HE2 HIS 107 -1.795 -27.208 -6.300 801 H GLU 108 HN GLU 108 -4.410 -24.995 -3.100 802 HA GLU 108 HA GLU 108 -5.356 -27.594 -3.807 803 1HB GLU 108 HB2 GLU 108 -7.655 -27.359 -3.009 804 2HB GLU 108 HB1 GLU 108 -6.526 -27.358 -1.665 805 1HG GLU 108 HG2 GLU 108 -6.746 -24.968 -1.418 806 2HG GLU 108 HG1 GLU 108 -7.758 -24.880 -2.861 807 H ARG 109 HN ARG 109 -7.433 -27.372 -5.149 808 HA ARG 109 HA ARG 109 -7.088 -25.045 -6.928 809 1HB ARG 109 HB2 ARG 109 -6.170 -27.144 -7.859 810 2HB ARG 109 HB1 ARG 109 -7.740 -27.909 -7.675 811 1HG ARG 109 HG2 ARG 109 -8.696 -26.629 -9.387 812 2HG ARG 109 HG1 ARG 109 -7.391 -25.441 -9.348 813 1HD ARG 109 HD2 ARG 109 -7.192 -26.880 -11.305 814 2HD ARG 109 HD1 ARG 109 -5.831 -27.113 -10.208 815 HE ARG 109 HE ARG 109 -8.113 -28.980 -10.189 816 1HH1 ARG 109 HH11 ARG 109 -4.693 -28.328 -10.425 817 2HH1 ARG 109 HH12 ARG 109 -4.249 -29.990 -10.642 818 1HH2 ARG 109 HH21 ARG 109 -7.538 -31.201 -10.426 819 2HH2 ARG 109 HH22 ARG 109 -5.866 -31.633 -10.612 820 H SER 110 HN SER 110 -8.839 -23.810 -7.003 821 HA SER 110 HA SER 110 -11.425 -24.973 -6.222 822 1HB SER 110 HB2 SER 110 -10.494 -22.090 -6.229 823 2HB SER 110 HB1 SER 110 -12.109 -22.628 -5.765 824 HG SER 110 HG SER 110 -9.943 -23.852 -4.509 825 H GLN 111 HN GLN 111 -13.084 -25.043 -7.562 826 HA GLN 111 HA GLN 111 -12.827 -23.957 -10.263 827 1HB GLN 111 HB2 GLN 111 -14.936 -25.780 -9.066 828 2HB GLN 111 HB1 GLN 111 -14.868 -25.279 -10.747 829 1HG GLN 111 HG2 GLN 111 -14.024 -27.481 -10.638 830 2HG GLN 111 HG1 GLN 111 -12.645 -26.422 -10.912 831 1HE2 GLN 111 HE21 GLN 111 -11.058 -26.280 -9.364 832 2HE2 GLN 111 HE22 GLN 111 -11.002 -27.285 -7.959 833 H PHE 112 HN PHE 112 -14.233 -22.457 -11.088 834 HA PHE 112 HA PHE 112 -16.114 -21.178 -9.206 835 1HB PHE 112 HB2 PHE 112 -14.115 -19.858 -11.062 836 2HB PHE 112 HB1 PHE 112 -15.480 -18.994 -10.365 837 HD1 PHE 112 HD1 PHE 112 -12.481 -20.994 -9.418 838 HD2 PHE 112 HD2 PHE 112 -15.289 -18.004 -8.268 839 HE1 PHE 112 HE1 PHE 112 -11.162 -20.531 -7.396 840 HE2 PHE 112 HE2 PHE 112 -13.968 -17.541 -6.245 841 HZ PHE 112 HZ PHE 112 -11.903 -18.804 -5.808 842 H ARG 113 HN ARG 113 -18.024 -20.463 -10.075 843 HA ARG 113 HA ARG 113 -18.570 -21.201 -12.873 844 1HB ARG 113 HB2 ARG 113 -20.000 -22.418 -11.401 845 2HB ARG 113 HB1 ARG 113 -20.359 -20.986 -10.447 846 1HG ARG 113 HG2 ARG 113 -21.660 -20.049 -12.254 847 2HG ARG 113 HG1 ARG 113 -21.212 -21.389 -13.311 848 1HD ARG 113 HD2 ARG 113 -22.708 -21.744 -10.716 849 2HD ARG 113 HD1 ARG 113 -23.504 -21.545 -12.277 850 HE ARG 113 HE ARG 113 -22.076 -23.592 -12.912 851 1HH1 ARG 113 HH11 ARG 113 -23.313 -23.054 -9.676 852 2HH1 ARG 113 HH12 ARG 113 -23.632 -24.737 -9.385 853 1HH2 ARG 113 HH21 ARG 113 -22.424 -25.798 -12.505 854 2HH2 ARG 113 HH22 ARG 113 -23.082 -26.302 -10.980 855 H LYS 114 HN LYS 114 -19.199 -19.688 -14.290 856 HA LYS 114 HA LYS 114 -19.271 -16.898 -13.389 857 1HB LYS 114 HB2 LYS 114 -17.802 -17.787 -15.313 858 2HB LYS 114 HB1 LYS 114 -19.292 -17.846 -16.247 859 1HG LYS 114 HG2 LYS 114 -19.605 -15.475 -16.001 860 2HG LYS 114 HG1 LYS 114 -18.227 -15.369 -14.900 861 1HD LYS 114 HD2 LYS 114 -16.800 -16.257 -16.789 862 2HD LYS 114 HD1 LYS 114 -18.196 -16.028 -17.845 863 1HE LYS 114 HE2 LYS 114 -18.234 -13.650 -17.243 864 2HE LYS 114 HE1 LYS 114 -16.815 -13.888 -16.229 865 1HZ LYS 114 HZ1 LYS 114 -15.539 -14.515 -18.158 866 2HZ LYS 114 HZ2 LYS 114 -16.245 -12.999 -18.420 867 3HZ LYS 114 HZ3 LYS 114 -16.898 -14.371 -19.157 868 H ALA 115 HN ALA 115 -21.158 -15.910 -13.137 869 HA ALA 115 HA ALA 115 -23.485 -16.808 -14.700 870 1HB ALA 115 HB1 ALA 115 -24.913 -16.534 -12.734 871 2HB ALA 115 HB2 ALA 115 -23.503 -16.128 -11.756 872 3HB ALA 115 HB3 ALA 115 -23.663 -17.743 -12.444 873 H ARG 116 HN ARG 116 -24.316 -15.209 -15.824 874 HA ARG 116 HA ARG 116 -24.855 -13.155 -16.606 875 1HB ARG 116 HB2 ARG 116 -24.976 -12.497 -13.655 876 2HB ARG 116 HB1 ARG 116 -25.625 -11.485 -14.936 877 1HG ARG 116 HG2 ARG 116 -26.557 -14.271 -14.233 878 2HG ARG 116 HG1 ARG 116 -27.383 -12.765 -13.838 879 1HD ARG 116 HD2 ARG 116 -28.514 -13.562 -15.727 880 2HD ARG 116 HD1 ARG 116 -27.425 -12.336 -16.369 881 HE ARG 116 HE ARG 116 -26.753 -15.210 -16.454 882 1HH1 ARG 116 HH11 ARG 116 -27.163 -12.133 -18.083 883 2HH1 ARG 116 HH12 ARG 116 -26.539 -12.714 -19.593 884 1HH2 ARG 116 HH21 ARG 116 -25.943 -15.963 -18.451 885 2HH2 ARG 116 HH22 ARG 116 -25.845 -14.875 -19.801 886 H GLY 117 HN GLY 117 -22.024 -13.805 -16.170 887 1HA GLY 117 HA2 GLY 117 -20.180 -12.575 -16.958 888 2HA GLY 117 HA1 GLY 117 -20.997 -11.086 -16.512 889 H ARG 118 HN ARG 118 -21.563 -12.469 -13.798 890 HA ARG 118 HA ARG 118 -19.065 -11.557 -12.580 891 1HB ARG 118 HB2 ARG 118 -21.612 -12.434 -11.189 892 2HB ARG 118 HB1 ARG 118 -20.242 -11.616 -10.455 893 1HG ARG 118 HG2 ARG 118 -21.612 -9.824 -10.701 894 2HG ARG 118 HG1 ARG 118 -20.848 -9.776 -12.290 895 1HD ARG 118 HD2 ARG 118 -23.276 -9.522 -12.464 896 2HD ARG 118 HD1 ARG 118 -22.738 -11.013 -13.240 897 HE ARG 118 HE ARG 118 -23.377 -11.987 -10.894 898 1HH1 ARG 118 HH11 ARG 118 -25.158 -9.583 -12.741 899 2HH1 ARG 118 HH12 ARG 118 -26.686 -10.022 -12.036 900 1HH2 ARG 118 HH21 ARG 118 -25.369 -12.536 -9.989 901 2HH2 ARG 118 HH22 ARG 118 -26.804 -11.682 -10.472 902 H TRP 119 HN TRP 119 -17.890 -12.862 -11.085 903 HA TRP 119 HA TRP 119 -18.139 -15.724 -11.648 904 1HB TRP 119 HB2 TRP 119 -15.867 -13.989 -10.724 905 2HB TRP 119 HB1 TRP 119 -15.820 -15.730 -10.452 906 HD1 TRP 119 HD1 TRP 119 -15.349 -13.144 -13.171 907 HE1 TRP 119 HE1 TRP 119 -14.672 -14.342 -15.357 908 HE3 TRP 119 HE3 TRP 119 -16.254 -17.968 -11.767 909 HZ2 TRP 119 HZ2 TRP 119 -14.568 -16.968 -16.338 910 HZ3 TRP 119 HZ3 TRP 119 -15.848 -19.765 -13.396 911 HH2 TRP 119 HH2 TRP 119 -15.020 -19.271 -15.637 912 H TYR 120 HN TYR 120 -18.564 -17.204 -10.171 913 HA TYR 120 HA TYR 120 -18.840 -16.391 -7.354 914 1HB TYR 120 HB2 TYR 120 -20.718 -18.163 -8.950 915 2HB TYR 120 HB1 TYR 120 -20.830 -17.877 -7.218 916 HD1 TYR 120 HD2 TYR 120 -21.261 -16.356 -10.551 917 HD2 TYR 120 HD1 TYR 120 -21.757 -15.819 -6.354 918 HE1 TYR 120 HE2 TYR 120 -22.674 -14.391 -10.973 919 HE2 TYR 120 HE1 TYR 120 -23.173 -13.853 -6.770 920 HH TYR 120 HH TYR 120 -23.640 -12.236 -8.452 921 H PHE 121 HN PHE 121 -18.010 -17.786 -5.896 922 HA PHE 121 HA PHE 121 -16.239 -19.835 -6.776 923 1HB PHE 121 HB2 PHE 121 -15.595 -18.656 -4.840 924 2HB PHE 121 HB1 PHE 121 -17.161 -18.876 -4.068 925 HD1 PHE 121 HD1 PHE 121 -14.030 -20.592 -5.040 926 HD2 PHE 121 HD2 PHE 121 -17.608 -20.777 -2.732 927 HE1 PHE 121 HE1 PHE 121 -13.163 -22.559 -3.851 928 HE2 PHE 121 HE2 PHE 121 -16.747 -22.744 -1.543 929 HZ PHE 121 HZ PHE 121 -14.515 -23.636 -2.095 930 H SER 122 HN SER 122 -16.759 -21.856 -7.323 931 HA SER 122 HA SER 122 -19.370 -22.913 -6.584 932 1HB SER 122 HB2 SER 122 -17.261 -24.036 -8.450 933 2HB SER 122 HB1 SER 122 -18.899 -24.664 -8.244 934 HG SER 122 HG SER 122 -19.660 -22.590 -8.953 935 H GLU 123 HN GLU 123 -15.960 -24.016 -6.434 936 HA GLU 123 HA GLU 123 -16.202 -25.013 -3.816 937 1HB GLU 123 HB2 GLU 123 -16.077 -27.453 -4.282 938 2HB GLU 123 HB1 GLU 123 -17.617 -26.737 -4.736 939 1HG GLU 123 HG2 GLU 123 -16.780 -26.637 -7.096 940 2HG GLU 123 HG1 GLU 123 -15.371 -27.561 -6.570 941 H GLY 124 HN GLY 124 -14.299 -26.330 -3.173 942 1HA GLY 124 HA2 GLY 124 -12.024 -26.291 -4.975 943 2HA GLY 124 HA1 GLY 124 -11.919 -25.191 -3.605 944 H GLU 125 HN GLU 125 -10.572 -27.828 -4.467 945 HA GLU 125 HA GLU 125 -10.331 -28.848 -1.779 946 1HB GLU 125 HB2 GLU 125 -10.857 -31.175 -2.361 947 2HB GLU 125 HB1 GLU 125 -12.257 -30.134 -2.578 948 1HG GLU 125 HG2 GLU 125 -11.785 -30.068 -5.008 949 2HG GLU 125 HG1 GLU 125 -10.459 -31.203 -4.749 950 H ALA 126 HN ALA 126 -8.776 -30.883 -1.935 951 HA ALA 126 HA ALA 126 -6.307 -29.896 -2.705 952 1HB ALA 126 HB1 ALA 126 -5.444 -32.147 -2.296 953 2HB ALA 126 HB2 ALA 126 -7.086 -32.791 -2.327 954 3HB ALA 126 HB3 ALA 126 -6.601 -31.675 -1.051 955 H VAL 127 HN VAL 127 -5.138 -29.917 -4.514 956 HA VAL 127 HA VAL 127 -6.225 -30.275 -7.020 957 HB VAL 127 HB VAL 127 -4.319 -28.963 -7.035 958 1HG1 VAL 127 HG11 VAL 127 -2.131 -29.624 -6.111 959 2HG1 VAL 127 HG12 VAL 127 -2.852 -31.122 -5.519 960 3HG1 VAL 127 HG13 VAL 127 -3.400 -29.566 -4.890 961 1HG2 VAL 127 HG21 VAL 127 -4.296 -30.521 -8.942 962 2HG2 VAL 127 HG22 VAL 127 -3.263 -31.618 -8.024 963 3HG2 VAL 127 HG23 VAL 127 -2.673 -30.018 -8.475 964 H ASP 128 HN ASP 128 -6.765 -31.960 -8.171 965 HA ASP 128 HA ASP 128 -5.899 -34.633 -7.399 966 1HB ASP 128 HB2 ASP 128 -7.654 -35.451 -8.867 967 2HB ASP 128 HB1 ASP 128 -8.312 -34.191 -7.831 Start of MODEL 2 1 1H MET 1 HT1 MET 1 -0.481 0.097 0.574 2 2H MET 1 HT2 MET 1 -0.419 1.018 -0.843 3 3H MET 1 HT3 MET 1 0.567 1.421 0.470 4 HA MET 1 HA MET 1 1.784 0.305 -1.313 5 1HB MET 1 HB2 MET 1 1.524 -1.109 1.349 6 2HB MET 1 HB1 MET 1 2.768 -1.510 0.176 7 1HG MET 1 HG2 MET 1 3.646 0.769 0.325 8 2HG MET 1 HG1 MET 1 2.398 1.167 1.507 9 1HE MET 1 HE1 MET 1 5.792 1.000 3.559 10 2HE MET 1 HE2 MET 1 4.462 2.042 3.054 11 3HE MET 1 HE3 MET 1 5.641 1.480 1.869 12 H ASN 2 HN ASN 2 2.358 -2.378 -1.351 13 HA ASN 2 HA ASN 2 0.662 -3.409 -3.266 14 1HB ASN 2 HB2 ASN 2 1.789 -5.545 -2.939 15 2HB ASN 2 HB1 ASN 2 2.954 -4.229 -2.853 16 1HD2 ASN 2 HD21 ASN 2 3.941 -3.753 -0.881 17 2HD2 ASN 2 HD22 ASN 2 3.870 -4.829 0.468 18 H CYS 3 HN CYS 3 -0.676 -5.376 -3.185 19 HA CYS 3 HA CYS 3 -2.646 -5.032 -1.077 20 1HB CYS 3 HB2 CYS 3 -3.140 -5.173 -3.600 21 2HB CYS 3 HB1 CYS 3 -2.874 -6.905 -3.430 22 H VAL 4 HN VAL 4 -3.369 -6.641 0.302 23 HA VAL 4 HA VAL 4 -1.524 -8.595 1.161 24 HB VAL 4 HB VAL 4 -3.305 -9.412 2.645 25 1HG1 VAL 4 HG11 VAL 4 -3.697 -7.342 3.893 26 2HG1 VAL 4 HG12 VAL 4 -3.217 -6.393 2.486 27 3HG1 VAL 4 HG13 VAL 4 -2.038 -7.424 3.298 28 1HG2 VAL 4 HG21 VAL 4 -5.200 -9.273 1.103 29 2HG2 VAL 4 HG22 VAL 4 -5.121 -7.511 1.142 30 3HG2 VAL 4 HG23 VAL 4 -5.548 -8.408 2.600 31 H CYS 5 HN CYS 5 -4.005 -8.667 -1.230 32 HA CYS 5 HA CYS 5 -3.878 -11.587 -1.468 33 1HB CYS 5 HB2 CYS 5 -5.856 -11.503 -2.636 34 2HB CYS 5 HB1 CYS 5 -6.036 -10.014 -1.716 35 H GLY 6 HN GLY 6 -3.366 -12.538 -3.563 36 1HA GLY 6 HA2 GLY 6 -1.001 -11.660 -4.705 37 2HA GLY 6 HA1 GLY 6 -2.107 -12.796 -5.457 38 H SER 7 HN SER 7 -1.354 -9.395 -5.062 39 HA SER 7 HA SER 7 -1.882 -8.790 -7.805 40 1HB SER 7 HB2 SER 7 -3.630 -7.461 -5.699 41 2HB SER 7 HB1 SER 7 -3.621 -7.103 -7.425 42 HG SER 7 HG SER 7 -4.197 -9.437 -7.638 43 H GLY 8 HN GLY 8 -0.150 -7.540 -8.221 44 1HA GLY 8 HA2 GLY 8 1.308 -6.219 -6.127 45 2HA GLY 8 HA1 GLY 8 1.691 -6.206 -7.842 46 H LYS 9 HN LYS 9 -1.235 -5.126 -6.160 47 HA LYS 9 HA LYS 9 -0.675 -2.352 -6.907 48 1HB LYS 9 HB2 LYS 9 -3.445 -3.500 -7.268 49 2HB LYS 9 HB1 LYS 9 -2.780 -2.010 -7.923 50 1HG LYS 9 HG2 LYS 9 -1.167 -3.718 -9.166 51 2HG LYS 9 HG1 LYS 9 -2.530 -4.806 -8.907 52 1HD LYS 9 HD2 LYS 9 -2.591 -2.136 -10.334 53 2HD LYS 9 HD1 LYS 9 -2.688 -3.724 -11.090 54 1HE LYS 9 HE2 LYS 9 -4.832 -4.137 -10.089 55 2HE LYS 9 HE1 LYS 9 -4.710 -2.676 -9.106 56 1HZ LYS 9 HZ1 LYS 9 -6.134 -2.354 -11.046 57 2HZ LYS 9 HZ2 LYS 9 -4.848 -2.735 -12.074 58 3HZ LYS 9 HZ3 LYS 9 -4.776 -1.348 -11.111 59 H THR 10 HN THR 10 -2.328 -0.881 -5.740 60 HA THR 10 HA THR 10 -2.092 -1.468 -2.975 61 HB THR 10 HB THR 10 -3.179 0.648 -2.546 62 HG1 THR 10 HG1 THR 10 -3.748 1.634 -4.901 63 1HG2 THR 10 HG21 THR 10 -1.433 0.827 -5.010 64 2HG2 THR 10 HG22 THR 10 -0.871 0.784 -3.338 65 3HG2 THR 10 HG23 THR 10 -1.804 2.163 -3.920 66 H TYR 11 HN TYR 11 -4.024 -1.261 -1.437 67 HA TYR 11 HA TYR 11 -5.904 -3.265 -1.806 68 1HB TYR 11 HB2 TYR 11 -5.695 -2.491 0.415 69 2HB TYR 11 HB1 TYR 11 -5.905 -0.806 -0.053 70 HD1 TYR 11 HD2 TYR 11 -7.782 -4.048 0.012 71 HD2 TYR 11 HD1 TYR 11 -7.995 0.201 0.251 72 HE1 TYR 11 HE2 TYR 11 -10.188 -4.196 0.496 73 HE2 TYR 11 HE1 TYR 11 -10.402 0.058 0.730 74 HH TYR 11 HH TYR 11 -12.263 -1.533 0.333 75 H ASP 12 HN ASP 12 -6.388 0.226 -2.161 76 HA ASP 12 HA ASP 12 -9.023 0.091 -3.133 77 1HB ASP 12 HB2 ASP 12 -8.082 2.131 -2.163 78 2HB ASP 12 HB1 ASP 12 -6.927 2.250 -3.487 79 H ASP 13 HN ASP 13 -5.925 0.477 -4.815 80 HA ASP 13 HA ASP 13 -6.963 0.769 -7.409 81 1HB ASP 13 HB2 ASP 13 -4.572 1.223 -6.572 82 2HB ASP 13 HB1 ASP 13 -4.296 -0.500 -6.779 83 H CYS 14 HN CYS 14 -6.310 -2.040 -5.472 84 HA CYS 14 HA CYS 14 -6.881 -3.814 -7.743 85 1HB CYS 14 HB2 CYS 14 -4.901 -4.508 -6.678 86 2HB CYS 14 HB1 CYS 14 -5.572 -4.270 -5.069 87 H CYS 15 HN CYS 15 -7.610 -4.188 -4.261 88 HA CYS 15 HA CYS 15 -9.909 -5.755 -4.947 89 1HB CYS 15 HB2 CYS 15 -8.623 -4.980 -2.354 90 2HB CYS 15 HB1 CYS 15 -10.215 -5.734 -2.368 91 H GLY 16 HN GLY 16 -9.473 -2.401 -4.335 92 1HA GLY 16 HA2 GLY 16 -11.649 -1.710 -2.785 93 2HA GLY 16 HA1 GLY 16 -10.948 -0.672 -4.010 94 HA PRO 17 HA PRO 17 -14.495 -1.065 -6.601 95 1HB PRO 17 HB2 PRO 17 -13.759 -2.128 -9.000 96 2HB PRO 17 HB1 PRO 17 -13.316 -0.496 -8.490 97 1HG PRO 17 HG2 PRO 17 -11.692 -3.015 -8.404 98 2HG PRO 17 HG1 PRO 17 -11.203 -1.384 -8.905 99 1HD PRO 17 HD2 PRO 17 -10.614 -2.392 -6.460 100 2HD PRO 17 HD1 PRO 17 -10.921 -0.664 -6.727 101 H LEU 18 HN LEU 18 -12.748 -4.079 -6.293 102 HA LEU 18 HA LEU 18 -14.895 -5.756 -7.205 103 1HB LEU 18 HB2 LEU 18 -12.304 -6.288 -5.762 104 2HB LEU 18 HB1 LEU 18 -13.486 -7.560 -5.986 105 HG LEU 18 HG LEU 18 -11.804 -7.772 -7.688 106 1HD1 LEU 18 HD11 LEU 18 -14.086 -8.286 -8.355 107 2HD1 LEU 18 HD12 LEU 18 -13.166 -7.634 -9.709 108 3HD1 LEU 18 HD13 LEU 18 -14.333 -6.615 -8.866 109 1HD2 LEU 18 HD21 LEU 18 -11.349 -6.016 -9.326 110 2HD2 LEU 18 HD22 LEU 18 -10.940 -5.494 -7.692 111 3HD2 LEU 18 HD23 LEU 18 -12.420 -4.914 -8.458 112 H LEU 19 HN LEU 19 -13.619 -4.777 -4.063 113 HA LEU 19 HA LEU 19 -15.409 -6.354 -2.517 114 1HB LEU 19 HB2 LEU 19 -13.243 -4.470 -2.028 115 2HB LEU 19 HB1 LEU 19 -14.554 -4.246 -0.886 116 HG LEU 19 HG LEU 19 -13.242 -6.925 -1.385 117 1HD1 LEU 19 HD11 LEU 19 -11.576 -5.364 -0.529 118 2HD1 LEU 19 HD12 LEU 19 -12.017 -6.549 0.699 119 3HD1 LEU 19 HD13 LEU 19 -12.661 -4.909 0.787 120 1HD2 LEU 19 HD21 LEU 19 -15.031 -5.917 0.829 121 2HD2 LEU 19 HD22 LEU 19 -14.290 -7.516 0.749 122 3HD2 LEU 19 HD23 LEU 19 -15.490 -7.040 -0.451 123 H ALA 20 HN ALA 20 -15.640 -3.256 -4.023 124 HA ALA 20 HA ALA 20 -17.944 -2.384 -2.530 125 1HB ALA 20 HB1 ALA 20 -16.441 -0.768 -3.595 126 2HB ALA 20 HB2 ALA 20 -18.088 -0.603 -4.203 127 3HB ALA 20 HB3 ALA 20 -16.863 -1.413 -5.181 128 H ARG 21 HN ARG 21 -17.436 -4.737 -4.828 129 HA ARG 21 HA ARG 21 -18.725 -6.040 -6.142 130 1HB ARG 21 HB2 ARG 21 -20.939 -4.870 -4.438 131 2HB ARG 21 HB1 ARG 21 -21.223 -6.102 -5.659 132 1HG ARG 21 HG2 ARG 21 -21.045 -7.369 -3.743 133 2HG ARG 21 HG1 ARG 21 -19.402 -7.445 -4.377 134 1HD ARG 21 HD2 ARG 21 -18.977 -6.962 -2.175 135 2HD ARG 21 HD1 ARG 21 -19.055 -5.333 -2.841 136 HE ARG 21 HE ARG 21 -21.484 -6.502 -1.690 137 1HH1 ARG 21 HH11 ARG 21 -18.872 -4.184 -1.441 138 2HH1 ARG 21 HH12 ARG 21 -19.613 -3.291 -0.154 139 1HH2 ARG 21 HH21 ARG 21 -22.458 -5.336 0.015 140 2HH2 ARG 21 HH22 ARG 21 -21.648 -3.953 0.681 141 H THR 22 HN THR 22 -18.214 -3.107 -6.762 142 HA THR 22 HA THR 22 -20.418 -2.508 -8.577 143 HB THR 22 HB THR 22 -19.545 -0.663 -7.220 144 HG1 THR 22 HG1 THR 22 -20.324 -0.303 -9.422 145 1HG2 THR 22 HG21 THR 22 -16.947 -1.077 -8.715 146 2HG2 THR 22 HG22 THR 22 -17.214 -1.386 -6.999 147 3HG2 THR 22 HG23 THR 22 -17.305 0.261 -7.623 148 H ARG 23 HN ARG 23 -17.059 -3.528 -8.638 149 HA ARG 23 HA ARG 23 -17.087 -3.504 -11.584 150 1HB ARG 23 HB2 ARG 23 -15.216 -2.294 -10.536 151 2HB ARG 23 HB1 ARG 23 -14.751 -3.751 -9.668 152 1HG ARG 23 HG2 ARG 23 -14.317 -4.861 -11.847 153 2HG ARG 23 HG1 ARG 23 -14.686 -3.339 -12.660 154 1HD ARG 23 HD2 ARG 23 -12.846 -2.261 -11.405 155 2HD ARG 23 HD1 ARG 23 -12.455 -3.819 -10.676 156 HE ARG 23 HE ARG 23 -12.087 -3.061 -13.496 157 1HH1 ARG 23 HH11 ARG 23 -11.561 -5.357 -10.900 158 2HH1 ARG 23 HH12 ARG 23 -10.336 -6.239 -11.753 159 1HH2 ARG 23 HH21 ARG 23 -10.471 -4.222 -14.616 160 2HH2 ARG 23 HH22 ARG 23 -9.748 -5.616 -13.880 161 H SER 24 HN SER 24 -17.205 -5.368 -12.658 162 HA SER 24 HA SER 24 -17.083 -7.891 -11.243 163 1HB SER 24 HB2 SER 24 -17.559 -8.806 -13.586 164 2HB SER 24 HB1 SER 24 -18.796 -7.763 -12.886 165 HG SER 24 HG SER 24 -16.778 -6.906 -14.702 166 H ALA 25 HN ALA 25 -15.312 -9.086 -11.043 167 HA ALA 25 HA ALA 25 -12.784 -8.279 -11.923 168 1HB ALA 25 HB1 ALA 25 -13.132 -9.690 -9.968 169 2HB ALA 25 HB2 ALA 25 -12.008 -10.443 -11.096 170 3HB ALA 25 HB3 ALA 25 -13.673 -11.013 -11.003 171 H ALA 26 HN ALA 26 -15.191 -10.258 -13.442 172 HA ALA 26 HA ALA 26 -15.455 -10.919 -15.589 173 1HB ALA 26 HB1 ALA 26 -14.075 -9.954 -17.343 174 2HB ALA 26 HB2 ALA 26 -12.915 -9.387 -16.142 175 3HB ALA 26 HB3 ALA 26 -14.548 -8.722 -16.172 176 H SER 27 HN SER 27 -13.002 -12.019 -13.676 177 HA SER 27 HA SER 27 -12.624 -14.364 -15.321 178 1HB SER 27 HB2 SER 27 -10.292 -12.567 -14.591 179 2HB SER 27 HB1 SER 27 -10.113 -14.223 -15.176 180 HG SER 27 HG SER 27 -11.550 -13.365 -16.982 181 HA PRO 28 HA PRO 28 -12.788 -16.449 -11.494 182 1HB PRO 28 HB2 PRO 28 -10.954 -18.489 -11.871 183 2HB PRO 28 HB1 PRO 28 -12.599 -18.485 -12.515 184 1HG PRO 28 HG2 PRO 28 -10.031 -17.750 -13.873 185 2HG PRO 28 HG1 PRO 28 -11.400 -18.691 -14.498 186 1HD PRO 28 HD2 PRO 28 -11.054 -16.123 -15.180 187 2HD PRO 28 HD1 PRO 28 -12.679 -16.789 -14.909 188 H GLU 29 HN GLU 29 -9.400 -16.137 -12.591 189 HA GLU 29 HA GLU 29 -8.203 -16.335 -10.061 190 1HB GLU 29 HB2 GLU 29 -6.241 -15.224 -11.122 191 2HB GLU 29 HB1 GLU 29 -6.870 -16.567 -12.068 192 1HG GLU 29 HG2 GLU 29 -7.856 -15.125 -13.656 193 2HG GLU 29 HG1 GLU 29 -7.642 -13.714 -12.621 194 H ALA 30 HN ALA 30 -9.305 -13.522 -11.898 195 HA ALA 30 HA ALA 30 -8.353 -11.536 -10.153 196 1HB ALA 30 HB1 ALA 30 -10.690 -11.423 -12.064 197 2HB ALA 30 HB2 ALA 30 -9.008 -11.068 -12.459 198 3HB ALA 30 HB3 ALA 30 -9.887 -10.034 -11.331 199 H LEU 31 HN LEU 31 -11.467 -13.180 -10.395 200 HA LEU 31 HA LEU 31 -12.764 -11.791 -8.298 201 1HB LEU 31 HB2 LEU 31 -13.812 -13.170 -10.148 202 2HB LEU 31 HB1 LEU 31 -13.315 -14.603 -9.277 203 HG LEU 31 HG LEU 31 -15.732 -13.907 -9.038 204 1HD1 LEU 31 HD11 LEU 31 -14.735 -15.496 -7.506 205 2HD1 LEU 31 HD12 LEU 31 -15.880 -14.450 -6.670 206 3HD1 LEU 31 HD13 LEU 31 -14.146 -14.177 -6.492 207 1HD2 LEU 31 HD21 LEU 31 -15.376 -11.500 -8.837 208 2HD2 LEU 31 HD22 LEU 31 -14.561 -11.745 -7.291 209 3HD2 LEU 31 HD23 LEU 31 -16.273 -12.137 -7.460 210 H MET 32 HN MET 32 -10.723 -14.623 -8.440 211 HA MET 32 HA MET 32 -11.248 -15.680 -5.900 212 1HB MET 32 HB2 MET 32 -10.068 -16.916 -7.682 213 2HB MET 32 HB1 MET 32 -8.680 -15.853 -7.497 214 1HG MET 32 HG2 MET 32 -9.766 -17.643 -5.328 215 2HG MET 32 HG1 MET 32 -8.417 -18.051 -6.386 216 1HE MET 32 HE1 MET 32 -7.039 -17.223 -2.687 217 2HE MET 32 HE2 MET 32 -7.268 -18.526 -3.852 218 3HE MET 32 HE3 MET 32 -8.664 -17.801 -3.053 219 H ARG 33 HN ARG 33 -8.641 -13.429 -6.933 220 HA ARG 33 HA ARG 33 -7.494 -13.422 -4.330 221 1HB ARG 33 HB2 ARG 33 -5.922 -11.827 -5.069 222 2HB ARG 33 HB1 ARG 33 -6.187 -12.942 -6.400 223 1HG ARG 33 HG2 ARG 33 -7.972 -10.655 -6.521 224 2HG ARG 33 HG1 ARG 33 -6.275 -10.178 -6.506 225 1HD ARG 33 HD2 ARG 33 -7.479 -12.215 -8.370 226 2HD ARG 33 HD1 ARG 33 -7.184 -10.531 -8.764 227 HE ARG 33 HE ARG 33 -4.785 -11.647 -7.834 228 1HH1 ARG 33 HH11 ARG 33 -6.884 -11.867 -10.634 229 2HH1 ARG 33 HH12 ARG 33 -5.621 -12.404 -11.693 230 1HH2 ARG 33 HH21 ARG 33 -3.131 -12.345 -9.229 231 2HH2 ARG 33 HH22 ARG 33 -3.490 -12.668 -10.897 232 H SER 34 HN SER 34 -9.892 -11.460 -5.910 233 HA SER 34 HA SER 34 -9.869 -9.335 -4.007 234 1HB SER 34 HB2 SER 34 -12.171 -8.866 -4.984 235 2HB SER 34 HB1 SER 34 -10.842 -8.885 -6.142 236 HG SER 34 HG SER 34 -12.975 -10.637 -5.847 237 H ARG 35 HN ARG 35 -11.742 -12.300 -4.417 238 HA ARG 35 HA ARG 35 -13.419 -12.016 -2.178 239 1HB ARG 35 HB2 ARG 35 -13.676 -13.673 -4.069 240 2HB ARG 35 HB1 ARG 35 -12.378 -14.613 -3.345 241 1HG ARG 35 HG2 ARG 35 -13.719 -14.915 -1.322 242 2HG ARG 35 HG1 ARG 35 -15.017 -13.958 -2.038 243 1HD ARG 35 HD2 ARG 35 -15.558 -16.285 -2.282 244 2HD ARG 35 HD1 ARG 35 -15.166 -15.633 -3.872 245 HE ARG 35 HE ARG 35 -13.038 -16.763 -3.745 246 1HH1 ARG 35 HH11 ARG 35 -15.390 -17.683 -1.324 247 2HH1 ARG 35 HH12 ARG 35 -14.631 -19.200 -0.966 248 1HH2 ARG 35 HH21 ARG 35 -12.044 -18.797 -3.301 249 2HH2 ARG 35 HH22 ARG 35 -12.741 -19.836 -2.096 250 H TYR 36 HN TYR 36 -10.341 -13.759 -2.571 251 HA TYR 36 HA TYR 36 -9.974 -14.708 -0.008 252 1HB TYR 36 HB2 TYR 36 -8.418 -15.429 -1.635 253 2HB TYR 36 HB1 TYR 36 -8.009 -13.780 -2.101 254 HD1 TYR 36 HD1 TYR 36 -7.650 -16.260 0.658 255 HD2 TYR 36 HD2 TYR 36 -6.204 -12.650 -1.083 256 HE1 TYR 36 HE1 TYR 36 -5.743 -16.278 2.211 257 HE2 TYR 36 HE2 TYR 36 -4.293 -12.663 0.467 258 HH TYR 36 HH TYR 36 -3.695 -13.583 2.640 259 H ALA 37 HN ALA 37 -9.300 -11.481 -1.271 260 HA ALA 37 HA ALA 37 -7.781 -10.464 0.834 261 1HB ALA 37 HB1 ALA 37 -8.445 -8.249 0.045 262 2HB ALA 37 HB2 ALA 37 -9.737 -8.970 -0.916 263 3HB ALA 37 HB3 ALA 37 -8.051 -9.311 -1.307 264 H ALA 38 HN ALA 38 -11.274 -10.771 0.490 265 HA ALA 38 HA ALA 38 -11.967 -9.103 2.669 266 1HB ALA 38 HB1 ALA 38 -14.192 -10.033 2.458 267 2HB ALA 38 HB2 ALA 38 -13.574 -11.346 1.459 268 3HB ALA 38 HB3 ALA 38 -13.526 -9.690 0.862 269 H TYR 39 HN TYR 39 -10.976 -12.456 2.478 270 HA TYR 39 HA TYR 39 -11.828 -13.299 5.032 271 1HB TYR 39 HB2 TYR 39 -9.734 -14.218 3.112 272 2HB TYR 39 HB1 TYR 39 -9.603 -14.773 4.777 273 HD1 TYR 39 HD2 TYR 39 -11.771 -14.782 1.785 274 HD2 TYR 39 HD1 TYR 39 -11.082 -16.438 5.642 275 HE1 TYR 39 HE2 TYR 39 -13.454 -16.508 1.346 276 HE2 TYR 39 HE1 TYR 39 -12.755 -18.183 5.199 277 HH TYR 39 HH TYR 39 -14.756 -18.490 3.729 278 H ALA 40 HN ALA 40 -9.003 -11.542 3.910 279 HA ALA 40 HA ALA 40 -7.706 -11.491 6.486 280 1HB ALA 40 HB1 ALA 40 -7.100 -9.923 3.973 281 2HB ALA 40 HB2 ALA 40 -6.398 -11.481 4.409 282 3HB ALA 40 HB3 ALA 40 -6.059 -10.056 5.392 283 H LEU 41 HN LEU 41 -10.123 -9.677 4.906 284 HA LEU 41 HA LEU 41 -9.747 -7.354 6.677 285 1HB LEU 41 HB2 LEU 41 -11.506 -7.621 4.229 286 2HB LEU 41 HB1 LEU 41 -11.222 -6.151 5.145 287 HG LEU 41 HG LEU 41 -9.200 -7.649 3.468 288 1HD1 LEU 41 HD11 LEU 41 -9.186 -5.616 2.112 289 2HD1 LEU 41 HD12 LEU 41 -10.449 -4.925 3.133 290 3HD1 LEU 41 HD13 LEU 41 -10.784 -6.359 2.161 291 1HD2 LEU 41 HD21 LEU 41 -7.649 -5.823 4.014 292 2HD2 LEU 41 HD22 LEU 41 -8.098 -6.760 5.437 293 3HD2 LEU 41 HD23 LEU 41 -8.825 -5.177 5.160 294 H LYS 42 HN LYS 42 -10.957 -10.041 7.273 295 HA LYS 42 HA LYS 42 -12.761 -11.057 8.174 296 1HB LYS 42 HB2 LYS 42 -13.650 -10.003 10.177 297 2HB LYS 42 HB1 LYS 42 -11.911 -9.807 10.085 298 1HG LYS 42 HG2 LYS 42 -13.510 -7.568 9.002 299 2HG LYS 42 HG1 LYS 42 -13.631 -7.831 10.741 300 1HD LYS 42 HD2 LYS 42 -11.033 -7.505 9.223 301 2HD LYS 42 HD1 LYS 42 -11.849 -6.216 10.110 302 1HE LYS 42 HE2 LYS 42 -11.614 -7.487 12.188 303 2HE LYS 42 HE1 LYS 42 -10.830 -8.799 11.308 304 1HZ LYS 42 HZ1 LYS 42 -9.004 -7.369 10.786 305 2HZ LYS 42 HZ2 LYS 42 -9.263 -7.309 12.453 306 3HZ LYS 42 HZ3 LYS 42 -9.775 -6.031 11.472 307 H ASP 43 HN ASP 43 -13.401 -9.427 5.722 308 HA ASP 43 HA ASP 43 -16.250 -8.915 6.208 309 1HB ASP 43 HB2 ASP 43 -14.752 -7.341 4.794 310 2HB ASP 43 HB1 ASP 43 -14.860 -8.577 3.545 311 H PHE 44 HN PHE 44 -16.406 -11.231 6.690 312 HA PHE 44 HA PHE 44 -15.919 -13.187 4.699 313 1HB PHE 44 HB2 PHE 44 -17.243 -14.691 6.211 314 2HB PHE 44 HB1 PHE 44 -15.894 -13.873 6.988 315 HD1 PHE 44 HD1 PHE 44 -19.565 -13.989 6.679 316 HD2 PHE 44 HD2 PHE 44 -16.242 -12.322 8.759 317 HE1 PHE 44 HE1 PHE 44 -21.079 -13.145 8.419 318 HE2 PHE 44 HE2 PHE 44 -17.752 -11.478 10.499 319 HZ PHE 44 HZ PHE 44 -20.176 -11.885 10.332 320 H ASP 45 HN ASP 45 -18.521 -11.003 5.180 321 HA ASP 45 HA ASP 45 -20.586 -12.584 4.025 322 1HB ASP 45 HB2 ASP 45 -20.919 -10.493 5.446 323 2HB ASP 45 HB1 ASP 45 -20.502 -9.559 4.011 324 H TYR 46 HN TYR 46 -18.271 -10.230 2.723 325 HA TYR 46 HA TYR 46 -19.185 -10.083 0.096 326 1HB TYR 46 HB2 TYR 46 -17.388 -8.635 0.867 327 2HB TYR 46 HB1 TYR 46 -16.329 -10.019 1.116 328 HD1 TYR 46 HD1 TYR 46 -18.393 -8.561 -1.649 329 HD2 TYR 46 HD2 TYR 46 -14.706 -10.361 -0.513 330 HE1 TYR 46 HE1 TYR 46 -17.570 -8.319 -3.951 331 HE2 TYR 46 HE2 TYR 46 -13.877 -10.125 -2.815 332 HH TYR 46 HH TYR 46 -15.541 -8.242 -5.178 333 H ILE 47 HN ILE 47 -17.242 -12.518 1.687 334 HA ILE 47 HA ILE 47 -16.471 -14.063 -0.516 335 HB ILE 47 HB ILE 47 -17.316 -15.189 2.165 336 1HG1 ILE 47 HG12 ILE 47 -15.829 -13.369 2.665 337 2HG1 ILE 47 HG11 ILE 47 -14.913 -14.863 2.833 338 1HG2 ILE 47 HG21 ILE 47 -15.289 -16.141 0.135 339 2HG2 ILE 47 HG22 ILE 47 -16.873 -16.852 0.440 340 3HG2 ILE 47 HG23 ILE 47 -15.628 -16.907 1.688 341 1HD1 ILE 47 HD11 ILE 47 -14.823 -12.940 0.526 342 2HD1 ILE 47 HD12 ILE 47 -13.972 -14.484 0.588 343 3HD1 ILE 47 HD13 ILE 47 -13.574 -13.213 1.742 344 H VAL 48 HN VAL 48 -19.205 -14.438 1.658 345 HA VAL 48 HA VAL 48 -20.549 -16.471 0.316 346 HB VAL 48 HB VAL 48 -21.885 -14.282 1.926 347 1HG1 VAL 48 HG11 VAL 48 -22.592 -17.181 1.463 348 2HG1 VAL 48 HG12 VAL 48 -23.435 -15.774 0.812 349 3HG1 VAL 48 HG13 VAL 48 -23.450 -16.085 2.548 350 1HG2 VAL 48 HG21 VAL 48 -21.459 -15.649 3.922 351 2HG2 VAL 48 HG22 VAL 48 -19.954 -15.112 3.176 352 3HG2 VAL 48 HG23 VAL 48 -20.504 -16.772 2.952 353 H GLU 49 HN GLU 49 -20.658 -12.959 -0.159 354 HA GLU 49 HA GLU 49 -22.824 -12.823 -1.945 355 1HB GLU 49 HB2 GLU 49 -20.320 -11.119 -1.824 356 2HB GLU 49 HB1 GLU 49 -21.716 -10.745 -2.822 357 1HG GLU 49 HG2 GLU 49 -23.091 -10.634 -0.749 358 2HG GLU 49 HG1 GLU 49 -21.611 -10.845 0.186 359 H THR 50 HN THR 50 -19.367 -13.319 -2.521 360 HA THR 50 HA THR 50 -19.794 -13.590 -5.388 361 HB THR 50 HB THR 50 -17.246 -13.894 -5.378 362 HG1 THR 50 HG1 THR 50 -17.452 -12.812 -2.756 363 1HG2 THR 50 HG21 THR 50 -16.843 -11.490 -5.083 364 2HG2 THR 50 HG22 THR 50 -18.408 -11.320 -4.288 365 3HG2 THR 50 HG23 THR 50 -18.328 -11.780 -5.990 366 H THR 51 HN THR 51 -20.676 -15.638 -3.304 367 HA THR 51 HA THR 51 -19.240 -17.984 -4.331 368 HB THR 51 HB THR 51 -21.349 -17.848 -2.151 369 HG1 THR 51 HG1 THR 51 -19.055 -16.894 -1.914 370 1HG2 THR 51 HG21 THR 51 -19.461 -20.091 -2.917 371 2HG2 THR 51 HG22 THR 51 -21.185 -20.050 -3.286 372 3HG2 THR 51 HG23 THR 51 -20.643 -20.119 -1.607 373 H ASP 52 HN ASP 52 -20.344 -19.689 -5.319 374 HA ASP 52 HA ASP 52 -22.340 -19.259 -7.155 375 1HB ASP 52 HB2 ASP 52 -20.855 -21.284 -6.949 376 2HB ASP 52 HB1 ASP 52 -21.862 -21.822 -5.620 377 HA PRO 53 HA PRO 53 -26.043 -18.557 -4.780 378 1HB PRO 53 HB2 PRO 53 -27.866 -19.639 -6.582 379 2HB PRO 53 HB1 PRO 53 -27.214 -18.000 -6.663 380 1HG PRO 53 HG2 PRO 53 -26.331 -20.464 -8.125 381 2HG PRO 53 HG1 PRO 53 -26.516 -18.806 -8.734 382 1HD PRO 53 HD2 PRO 53 -24.105 -19.781 -8.149 383 2HD PRO 53 HD1 PRO 53 -24.514 -18.099 -7.752 384 H GLU 54 HN GLU 54 -25.434 -21.728 -6.190 385 HA GLU 54 HA GLU 54 -27.311 -23.075 -4.447 386 1HB GLU 54 HB2 GLU 54 -25.221 -24.214 -6.325 387 2HB GLU 54 HB1 GLU 54 -26.523 -25.116 -5.558 388 1HG GLU 54 HG2 GLU 54 -28.180 -23.889 -6.811 389 2HG GLU 54 HG1 GLU 54 -26.938 -22.839 -7.491 390 H ARG 55 HN ARG 55 -23.793 -22.770 -4.776 391 HA ARG 55 HA ARG 55 -23.125 -24.491 -2.608 392 1HB ARG 55 HB2 ARG 55 -21.537 -22.218 -3.822 393 2HB ARG 55 HB1 ARG 55 -20.891 -23.428 -2.724 394 1HG ARG 55 HG2 ARG 55 -22.026 -23.971 -5.457 395 2HG ARG 55 HG1 ARG 55 -20.316 -23.884 -5.049 396 1HD ARG 55 HD2 ARG 55 -20.746 -25.756 -3.398 397 2HD ARG 55 HD1 ARG 55 -22.336 -25.927 -4.146 398 HE ARG 55 HE ARG 55 -20.039 -26.022 -5.929 399 1HH1 ARG 55 HH11 ARG 55 -22.433 -27.832 -4.124 400 2HH1 ARG 55 HH12 ARG 55 -22.200 -29.288 -5.032 401 1HH2 ARG 55 HH21 ARG 55 -19.724 -27.947 -7.120 402 2HH2 ARG 55 HH22 ARG 55 -20.652 -29.359 -6.723 403 H ARG 56 HN ARG 56 -24.039 -21.162 -2.836 404 HA ARG 56 HA ARG 56 -23.010 -20.182 -0.418 405 1HB ARG 56 HB2 ARG 56 -23.750 -18.664 -2.114 406 2HB ARG 56 HB1 ARG 56 -25.371 -19.341 -2.104 407 1HG ARG 56 HG2 ARG 56 -25.944 -18.277 -0.125 408 2HG ARG 56 HG1 ARG 56 -24.264 -18.050 0.361 409 1HD ARG 56 HD2 ARG 56 -25.463 -15.972 -0.402 410 2HD ARG 56 HD1 ARG 56 -23.944 -16.317 -1.225 411 HE ARG 56 HE ARG 56 -26.531 -17.053 -2.431 412 1HH1 ARG 56 HH11 ARG 56 -23.445 -15.404 -2.585 413 2HH1 ARG 56 HH12 ARG 56 -23.641 -14.914 -4.236 414 1HH2 ARG 56 HH21 ARG 56 -26.801 -16.413 -4.599 415 2HH2 ARG 56 HH22 ARG 56 -25.572 -15.460 -5.376 416 H ASP 57 HN ASP 57 -25.582 -22.333 -1.046 417 HA ASP 57 HA ASP 57 -27.187 -21.944 1.240 418 1HB ASP 57 HB2 ASP 57 -27.901 -23.307 -0.678 419 2HB ASP 57 HB1 ASP 57 -26.634 -24.479 -0.332 420 H LEU 58 HN LEU 58 -24.093 -23.420 0.777 421 HA LEU 58 HA LEU 58 -24.100 -24.753 3.372 422 1HB LEU 58 HB2 LEU 58 -21.893 -24.491 1.316 423 2HB LEU 58 HB1 LEU 58 -21.868 -25.535 2.725 424 HG LEU 58 HG LEU 58 -23.771 -25.810 0.387 425 1HD1 LEU 58 HD11 LEU 58 -22.485 -27.811 -0.173 426 2HD1 LEU 58 HD12 LEU 58 -21.357 -27.463 1.137 427 3HD1 LEU 58 HD13 LEU 58 -21.479 -26.364 -0.238 428 1HD2 LEU 58 HD21 LEU 58 -24.378 -27.949 1.416 429 2HD2 LEU 58 HD22 LEU 58 -24.764 -26.591 2.471 430 3HD2 LEU 58 HD23 LEU 58 -23.342 -27.584 2.796 431 H PHE 59 HN PHE 59 -23.365 -21.710 2.107 432 HA PHE 59 HA PHE 59 -21.121 -21.142 3.858 433 1HB PHE 59 HB2 PHE 59 -22.507 -19.663 1.647 434 2HB PHE 59 HB1 PHE 59 -21.496 -18.772 2.779 435 HD1 PHE 59 HD1 PHE 59 -21.192 -22.055 0.986 436 HD2 PHE 59 HD2 PHE 59 -19.446 -18.278 1.910 437 HE1 PHE 59 HE1 PHE 59 -19.189 -22.662 -0.312 438 HE2 PHE 59 HE2 PHE 59 -17.455 -18.877 0.615 439 HZ PHE 59 HZ PHE 59 -17.315 -21.073 -0.498 440 H ASP 60 HN ASP 60 -21.964 -21.212 5.935 441 HA ASP 60 HA ASP 60 -24.010 -19.254 6.659 442 1HB ASP 60 HB2 ASP 60 -22.474 -21.259 8.339 443 2HB ASP 60 HB1 ASP 60 -23.668 -20.140 8.986 444 H HIS 61 HN HIS 61 -23.618 -17.433 7.853 445 HA HIS 61 HA HIS 61 -21.250 -16.040 7.518 446 1HB HIS 61 HB2 HIS 61 -23.432 -15.700 9.590 447 2HB HIS 61 HB1 HIS 61 -22.114 -14.551 9.383 448 HD1 HIS 61 HD1 HIS 61 -25.368 -15.581 7.928 449 HD2 HIS 61 HD2 HIS 61 -22.196 -13.080 6.942 450 HE1 HIS 61 HE1 HIS 61 -26.216 -14.107 6.077 451 HE2 HIS 61 HE2 HIS 61 -24.258 -12.650 5.449 452 H ASP 62 HN ASP 62 -22.306 -17.995 10.272 453 HA ASP 62 HA ASP 62 -20.140 -17.509 11.989 454 1HB ASP 62 HB2 ASP 62 -21.889 -19.967 11.692 455 2HB ASP 62 HB1 ASP 62 -20.728 -19.747 12.995 456 H VAL 63 HN VAL 63 -20.641 -20.102 9.614 457 HA VAL 63 HA VAL 63 -18.303 -21.541 10.112 458 HB VAL 63 HB VAL 63 -19.834 -21.311 7.505 459 1HG1 VAL 63 HG11 VAL 63 -17.835 -23.396 8.407 460 2HG1 VAL 63 HG12 VAL 63 -17.611 -22.222 7.110 461 3HG1 VAL 63 HG13 VAL 63 -18.821 -23.493 6.947 462 1HG2 VAL 63 HG21 VAL 63 -21.223 -22.065 9.373 463 2HG2 VAL 63 HG22 VAL 63 -20.053 -23.333 9.743 464 3HG2 VAL 63 HG23 VAL 63 -20.946 -23.373 8.222 465 H ASN 64 HN ASN 64 -18.909 -18.916 7.778 466 HA ASN 64 HA ASN 64 -16.351 -19.106 6.559 467 1HB ASN 64 HB2 ASN 64 -18.532 -17.895 5.714 468 2HB ASN 64 HB1 ASN 64 -17.868 -16.512 6.580 469 1HD2 ASN 64 HD21 ASN 64 -15.735 -15.763 5.954 470 2HD2 ASN 64 HD22 ASN 64 -15.198 -15.993 4.330 471 H ARG 65 HN ARG 65 -17.558 -17.435 9.378 472 HA ARG 65 HA ARG 65 -15.254 -15.801 9.814 473 1HB ARG 65 HB2 ARG 65 -17.345 -15.217 10.894 474 2HB ARG 65 HB1 ARG 65 -17.408 -16.774 11.709 475 1HG ARG 65 HG2 ARG 65 -15.421 -16.184 13.010 476 2HG ARG 65 HG1 ARG 65 -15.337 -14.628 12.184 477 1HD ARG 65 HD2 ARG 65 -17.732 -15.521 13.786 478 2HD ARG 65 HD1 ARG 65 -16.391 -14.615 14.484 479 HE ARG 65 HE ARG 65 -16.944 -12.797 12.952 480 1HH1 ARG 65 HH11 ARG 65 -19.392 -15.258 13.431 481 2HH1 ARG 65 HH12 ARG 65 -20.703 -14.202 13.004 482 1HH2 ARG 65 HH21 ARG 65 -18.679 -11.415 12.431 483 2HH2 ARG 65 HH22 ARG 65 -20.302 -12.028 12.459 484 H ALA 66 HN ALA 66 -16.236 -19.037 10.795 485 HA ALA 66 HA ALA 66 -14.359 -19.602 12.744 486 1HB ALA 66 HB1 ALA 66 -16.250 -21.061 12.198 487 2HB ALA 66 HB2 ALA 66 -14.730 -21.956 12.234 488 3HB ALA 66 HB3 ALA 66 -15.461 -21.520 10.689 489 H TRP 67 HN TRP 67 -13.915 -19.404 9.293 490 HA TRP 67 HA TRP 67 -11.490 -20.796 9.041 491 1HB TRP 67 HB2 TRP 67 -12.652 -18.490 7.471 492 2HB TRP 67 HB1 TRP 67 -11.126 -19.250 7.037 493 HD1 TRP 67 HD1 TRP 67 -14.891 -20.064 7.265 494 HE1 TRP 67 HE1 TRP 67 -15.381 -22.044 5.696 495 HE3 TRP 67 HE3 TRP 67 -10.107 -21.196 5.865 496 HZ2 TRP 67 HZ2 TRP 67 -13.933 -23.846 4.074 497 HZ3 TRP 67 HZ3 TRP 67 -9.744 -23.061 4.301 498 HH2 TRP 67 HH2 TRP 67 -11.619 -24.359 3.425 499 H MET 68 HN MET 68 -12.035 -17.291 9.484 500 HA MET 68 HA MET 68 -9.251 -16.709 9.736 501 1HB MET 68 HB2 MET 68 -9.974 -14.450 10.406 502 2HB MET 68 HB1 MET 68 -10.795 -14.992 8.949 503 1HG MET 68 HG2 MET 68 -12.803 -15.456 10.191 504 2HG MET 68 HG1 MET 68 -11.991 -15.096 11.713 505 1HE MET 68 HE1 MET 68 -10.332 -12.525 11.229 506 2HE MET 68 HE2 MET 68 -11.437 -12.725 12.589 507 3HE MET 68 HE3 MET 68 -11.505 -11.263 11.606 508 H GLU 69 HN GLU 69 -11.700 -17.742 11.921 509 HA GLU 69 HA GLU 69 -10.642 -16.717 14.332 510 1HB GLU 69 HB2 GLU 69 -12.423 -19.109 13.820 511 2HB GLU 69 HB1 GLU 69 -12.088 -18.446 15.414 512 1HG GLU 69 HG2 GLU 69 -13.351 -16.882 13.171 513 2HG GLU 69 HG1 GLU 69 -14.265 -17.730 14.411 514 H GLU 70 HN GLU 70 -10.086 -19.763 12.594 515 HA GLU 70 HA GLU 70 -8.211 -20.590 14.697 516 1HB GLU 70 HB2 GLU 70 -8.202 -22.785 13.636 517 2HB GLU 70 HB1 GLU 70 -9.845 -22.269 13.987 518 1HG GLU 70 HG2 GLU 70 -10.278 -21.793 11.699 519 2HG GLU 70 HG1 GLU 70 -8.575 -21.969 11.274 520 H SER 71 HN SER 71 -8.275 -19.503 11.377 521 HA SER 71 HA SER 71 -5.343 -19.678 11.318 522 1HB SER 71 HB2 SER 71 -5.576 -20.308 8.844 523 2HB SER 71 HB1 SER 71 -5.954 -21.562 10.023 524 HG SER 71 HG SER 71 -8.034 -19.914 9.127 525 H ASP 72 HN ASP 72 -4.575 -17.716 11.122 526 HA ASP 72 HA ASP 72 -6.090 -15.530 10.000 527 1HB ASP 72 HB2 ASP 72 -3.191 -15.635 10.908 528 2HB ASP 72 HB1 ASP 72 -4.099 -14.175 10.542 529 H PHE 73 HN PHE 73 -6.197 -15.223 7.843 530 HA PHE 73 HA PHE 73 -4.441 -16.566 6.042 531 1HB PHE 73 HB2 PHE 73 -6.561 -14.454 5.579 532 2HB PHE 73 HB1 PHE 73 -5.683 -15.261 4.281 533 HD1 PHE 73 HD1 PHE 73 -7.984 -15.846 7.133 534 HD2 PHE 73 HD2 PHE 73 -6.324 -17.402 3.529 535 HE1 PHE 73 HE1 PHE 73 -9.588 -17.709 7.201 536 HE2 PHE 73 HE2 PHE 73 -7.931 -19.264 3.591 537 HZ PHE 73 HZ PHE 73 -9.563 -19.421 5.429 538 H LEU 74 HN LEU 74 -2.455 -15.983 5.570 539 HA LEU 74 HA LEU 74 -1.576 -13.249 6.117 540 1HB LEU 74 HB2 LEU 74 -0.279 -15.913 6.119 541 2HB LEU 74 HB1 LEU 74 0.723 -14.583 5.577 542 HG LEU 74 HG LEU 74 0.402 -13.425 7.705 543 1HD1 LEU 74 HD11 LEU 74 -0.743 -14.513 9.577 544 2HD1 LEU 74 HD12 LEU 74 -1.272 -15.805 8.499 545 3HD1 LEU 74 HD13 LEU 74 -1.846 -14.156 8.248 546 1HD2 LEU 74 HD21 LEU 74 2.267 -14.981 7.507 547 2HD2 LEU 74 HD22 LEU 74 1.243 -16.307 8.061 548 3HD2 LEU 74 HD23 LEU 74 1.631 -14.975 9.151 549 H GLU 75 HN GLU 75 -1.077 -15.731 3.586 550 HA GLU 75 HA GLU 75 -0.593 -13.578 1.646 551 1HB GLU 75 HB2 GLU 75 1.604 -14.176 2.511 552 2HB GLU 75 HB1 GLU 75 1.283 -15.881 2.236 553 1HG GLU 75 HG2 GLU 75 1.103 -15.325 -0.225 554 2HG GLU 75 HG1 GLU 75 1.738 -13.731 0.182 555 H LEU 76 HN LEU 76 -0.980 -14.124 -0.487 556 HA LEU 76 HA LEU 76 -2.172 -16.777 -0.980 557 1HB LEU 76 HB2 LEU 76 -3.808 -14.971 -1.212 558 2HB LEU 76 HB1 LEU 76 -2.749 -14.128 -2.329 559 HG LEU 76 HG LEU 76 -2.989 -15.986 -3.945 560 1HD1 LEU 76 HD11 LEU 76 -4.698 -17.698 -3.589 561 2HD1 LEU 76 HD12 LEU 76 -4.971 -17.090 -1.955 562 3HD1 LEU 76 HD13 LEU 76 -3.414 -17.802 -2.384 563 1HD2 LEU 76 HD21 LEU 76 -5.300 -15.523 -4.597 564 2HD2 LEU 76 HD22 LEU 76 -4.462 -14.050 -4.112 565 3HD2 LEU 76 HD23 LEU 76 -5.612 -14.813 -3.012 566 H ARG 77 HN ARG 77 -1.206 -18.019 -2.473 567 HA ARG 77 HA ARG 77 0.822 -16.791 -4.226 568 1HB ARG 77 HB2 ARG 77 1.868 -18.191 -2.502 569 2HB ARG 77 HB1 ARG 77 0.838 -19.544 -2.954 570 1HG ARG 77 HG2 ARG 77 1.890 -19.592 -5.176 571 2HG ARG 77 HG1 ARG 77 2.938 -18.255 -4.697 572 1HD ARG 77 HD2 ARG 77 3.895 -19.641 -2.917 573 2HD ARG 77 HD1 ARG 77 2.837 -20.974 -3.383 574 HE ARG 77 HE ARG 77 4.344 -20.131 -5.613 575 1HH1 ARG 77 HH11 ARG 77 4.740 -21.818 -2.566 576 2HH1 ARG 77 HH12 ARG 77 6.074 -22.774 -3.131 577 1HH2 ARG 77 HH21 ARG 77 6.086 -21.380 -6.352 578 2HH2 ARG 77 HH22 ARG 77 6.849 -22.517 -5.285 579 H VAL 78 HN VAL 78 -0.330 -16.587 -6.072 580 HA VAL 78 HA VAL 78 -2.153 -18.643 -6.971 581 HB VAL 78 HB VAL 78 -1.223 -16.080 -8.279 582 1HG1 VAL 78 HG11 VAL 78 -3.422 -17.976 -9.134 583 2HG1 VAL 78 HG12 VAL 78 -1.912 -17.673 -9.994 584 3HG1 VAL 78 HG13 VAL 78 -3.112 -16.390 -9.842 585 1HG2 VAL 78 HG21 VAL 78 -3.814 -16.755 -6.877 586 2HG2 VAL 78 HG22 VAL 78 -3.443 -15.227 -7.677 587 3HG2 VAL 78 HG23 VAL 78 -2.531 -15.719 -6.250 588 H LEU 79 HN LEU 79 -1.442 -20.421 -7.942 589 HA LEU 79 HA LEU 79 1.238 -20.540 -9.040 590 1HB LEU 79 HB2 LEU 79 -0.884 -22.691 -8.862 591 2HB LEU 79 HB1 LEU 79 0.801 -22.941 -9.280 592 HG LEU 79 HG LEU 79 -0.264 -22.036 -6.597 593 1HD1 LEU 79 HD11 LEU 79 -0.633 -24.400 -7.048 594 2HD1 LEU 79 HD12 LEU 79 0.593 -24.179 -5.801 595 3HD1 LEU 79 HD13 LEU 79 1.074 -24.605 -7.444 596 1HD2 LEU 79 HD21 LEU 79 2.590 -22.509 -7.471 597 2HD2 LEU 79 HD22 LEU 79 2.056 -22.185 -5.821 598 3HD2 LEU 79 HD23 LEU 79 1.868 -20.951 -7.065 599 H GLY 80 HN GLY 80 -2.068 -21.148 -10.225 600 1HA GLY 80 HA2 GLY 80 -1.340 -20.172 -12.853 601 2HA GLY 80 HA1 GLY 80 -1.674 -21.898 -12.789 602 H SER 81 HN SER 81 -3.159 -20.066 -14.312 603 HA SER 81 HA SER 81 -5.784 -20.304 -13.007 604 1HB SER 81 HB2 SER 81 -6.375 -18.083 -14.065 605 2HB SER 81 HB1 SER 81 -5.192 -17.984 -12.761 606 HG SER 81 HG SER 81 -4.527 -16.746 -14.542 607 H SER 82 HN SER 82 -7.575 -20.347 -14.523 608 HA SER 82 HA SER 82 -7.018 -20.659 -17.344 609 1HB SER 82 HB2 SER 82 -8.142 -22.960 -15.711 610 2HB SER 82 HB1 SER 82 -8.051 -22.913 -17.472 611 HG SER 82 HG SER 82 -5.662 -22.409 -16.862 612 H GLU 83 HN GLU 83 -8.791 -20.184 -18.587 613 HA GLU 83 HA GLU 83 -11.405 -19.926 -17.288 614 1HB GLU 83 HB2 GLU 83 -10.402 -17.719 -17.074 615 2HB GLU 83 HB1 GLU 83 -9.989 -17.705 -18.783 616 1HG GLU 83 HG2 GLU 83 -12.396 -17.740 -19.336 617 2HG GLU 83 HG1 GLU 83 -12.769 -17.668 -17.613 618 H LYS 84 HN LYS 84 -12.873 -20.880 -18.514 619 HA LYS 84 HA LYS 84 -12.443 -21.045 -21.430 620 1HB LYS 84 HB2 LYS 84 -14.076 -22.898 -19.668 621 2HB LYS 84 HB1 LYS 84 -13.776 -23.092 -21.389 622 1HG LYS 84 HG2 LYS 84 -11.701 -23.233 -19.205 623 2HG LYS 84 HG1 LYS 84 -12.396 -24.604 -20.072 624 1HD LYS 84 HD2 LYS 84 -10.784 -22.372 -21.317 625 2HD LYS 84 HD1 LYS 84 -10.175 -23.984 -20.940 626 1HE LYS 84 HE2 LYS 84 -11.808 -24.952 -22.502 627 2HE LYS 84 HE1 LYS 84 -12.401 -23.335 -22.880 628 1HZ LYS 84 HZ1 LYS 84 -10.171 -22.785 -23.701 629 2HZ LYS 84 HZ2 LYS 84 -10.867 -24.066 -24.558 630 3HZ LYS 84 HZ3 LYS 84 -9.670 -24.374 -23.404 631 H GLY 85 HN GLY 85 -13.463 -18.730 -20.564 632 1HA GLY 85 HA2 GLY 85 -15.169 -17.290 -21.110 633 2HA GLY 85 HA1 GLY 85 -16.002 -18.638 -21.867 634 H SER 86 HN SER 86 -17.230 -20.082 -20.477 635 HA SER 86 HA SER 86 -18.724 -18.503 -18.554 636 1HB SER 86 HB2 SER 86 -20.272 -20.531 -18.652 637 2HB SER 86 HB1 SER 86 -20.054 -19.647 -20.163 638 HG SER 86 HG SER 86 -19.872 -21.920 -20.442 639 H ARG 87 HN ARG 87 -16.559 -21.245 -18.575 640 HA ARG 87 HA ARG 87 -16.851 -21.458 -15.642 641 1HB ARG 87 HB2 ARG 87 -17.775 -23.421 -16.974 642 2HB ARG 87 HB1 ARG 87 -16.135 -23.748 -17.499 643 1HG ARG 87 HG2 ARG 87 -16.928 -23.674 -14.592 644 2HG ARG 87 HG1 ARG 87 -17.035 -25.133 -15.573 645 1HD ARG 87 HD2 ARG 87 -14.548 -23.553 -14.924 646 2HD ARG 87 HD1 ARG 87 -14.970 -25.162 -14.337 647 HE ARG 87 HE ARG 87 -14.943 -25.285 -17.113 648 1HH1 ARG 87 HH11 ARG 87 -12.630 -24.694 -14.535 649 2HH1 ARG 87 HH12 ARG 87 -11.291 -25.319 -15.447 650 1HH2 ARG 87 HH21 ARG 87 -13.181 -26.088 -18.287 651 2HH2 ARG 87 HH22 ARG 87 -11.597 -26.091 -17.570 652 H GLY 88 HN GLY 88 -14.985 -21.374 -14.481 653 1HA GLY 88 HA2 GLY 88 -12.417 -21.582 -15.907 654 2HA GLY 88 HA1 GLY 88 -12.774 -20.108 -15.016 655 H THR 89 HN THR 89 -10.573 -21.402 -14.286 656 HA THR 89 HA THR 89 -11.175 -22.272 -11.592 657 HB THR 89 HB THR 89 -9.671 -24.108 -13.489 658 HG1 THR 89 HG1 THR 89 -11.463 -25.538 -13.001 659 1HG2 THR 89 HG21 THR 89 -8.737 -24.173 -11.228 660 2HG2 THR 89 HG22 THR 89 -9.597 -25.669 -11.588 661 3HG2 THR 89 HG23 THR 89 -10.346 -24.448 -10.558 662 H VAL 90 HN VAL 90 -9.395 -22.010 -10.202 663 HA VAL 90 HA VAL 90 -6.853 -21.189 -11.414 664 HB VAL 90 HB VAL 90 -7.984 -19.103 -10.872 665 1HG1 VAL 90 HG11 VAL 90 -8.606 -18.510 -8.587 666 2HG1 VAL 90 HG12 VAL 90 -8.168 -20.129 -8.039 667 3HG1 VAL 90 HG13 VAL 90 -9.516 -19.909 -9.156 668 1HG2 VAL 90 HG21 VAL 90 -5.569 -19.166 -10.584 669 2HG2 VAL 90 HG22 VAL 90 -5.760 -19.715 -8.919 670 3HG2 VAL 90 HG23 VAL 90 -6.301 -18.101 -9.384 671 H GLU 91 HN GLU 91 -5.144 -22.068 -10.498 672 HA GLU 91 HA GLU 91 -5.463 -23.643 -8.042 673 1HB GLU 91 HB2 GLU 91 -4.600 -24.907 -9.914 674 2HB GLU 91 HB1 GLU 91 -3.377 -23.684 -10.242 675 1HG GLU 91 HG2 GLU 91 -2.299 -24.200 -8.098 676 2HG GLU 91 HG1 GLU 91 -3.517 -25.439 -7.794 677 H PHE 92 HN PHE 92 -4.357 -23.126 -6.209 678 HA PHE 92 HA PHE 92 -2.230 -21.156 -6.280 679 1HB PHE 92 HB2 PHE 92 -3.370 -19.601 -4.742 680 2HB PHE 92 HB1 PHE 92 -4.213 -19.730 -6.280 681 HD1 PHE 92 HD2 PHE 92 -6.291 -21.171 -6.407 682 HD2 PHE 92 HD1 PHE 92 -4.473 -20.071 -2.713 683 HE1 PHE 92 HE2 PHE 92 -8.376 -21.703 -5.221 684 HE2 PHE 92 HE1 PHE 92 -6.561 -20.601 -1.527 685 HZ PHE 92 HZ PHE 92 -8.518 -21.416 -2.781 686 H ILE 93 HN ILE 93 -1.761 -20.541 -3.862 687 HA ILE 93 HA ILE 93 -2.100 -22.842 -2.071 688 HB ILE 93 HB ILE 93 0.496 -21.374 -2.631 689 1HG1 ILE 93 HG12 ILE 93 -0.151 -24.334 -2.750 690 2HG1 ILE 93 HG11 ILE 93 -0.093 -23.274 -4.151 691 1HG2 ILE 93 HG21 ILE 93 -0.090 -23.354 -0.423 692 2HG2 ILE 93 HG22 ILE 93 0.237 -21.632 -0.220 693 3HG2 ILE 93 HG23 ILE 93 1.500 -22.704 -0.825 694 1HD1 ILE 93 HD11 ILE 93 2.214 -23.915 -2.326 695 2HD1 ILE 93 HD12 ILE 93 2.278 -22.859 -3.737 696 3HD1 ILE 93 HD13 ILE 93 1.941 -24.578 -3.936 697 H ALA 94 HN ALA 94 -3.152 -22.114 -0.349 698 HA ALA 94 HA ALA 94 -3.113 -19.280 0.320 699 1HB ALA 94 HB1 ALA 94 -5.254 -20.462 0.280 700 2HB ALA 94 HB2 ALA 94 -4.902 -19.845 1.894 701 3HB ALA 94 HB3 ALA 94 -4.682 -21.559 1.539 702 H ARG 95 HN ARG 95 -1.591 -18.519 1.626 703 HA ARG 95 HA ARG 95 -0.383 -20.246 3.665 704 1HB ARG 95 HB2 ARG 95 1.176 -18.933 2.294 705 2HB ARG 95 HB1 ARG 95 0.358 -17.446 2.762 706 1HG ARG 95 HG2 ARG 95 0.954 -18.040 5.162 707 2HG ARG 95 HG1 ARG 95 2.016 -19.275 4.486 708 1HD ARG 95 HD2 ARG 95 2.170 -16.312 3.918 709 2HD ARG 95 HD1 ARG 95 3.223 -17.202 5.016 710 HE ARG 95 HE ARG 95 3.124 -17.622 2.089 711 1HH1 ARG 95 HH11 ARG 95 4.865 -17.541 5.131 712 2HH1 ARG 95 HH12 ARG 95 6.399 -17.910 4.403 713 1HH2 ARG 95 HH21 ARG 95 5.133 -18.134 1.135 714 2HH2 ARG 95 HH22 ARG 95 6.548 -18.266 2.133 715 H PHE 96 HN PHE 96 -1.256 -20.248 5.612 716 HA PHE 96 HA PHE 96 -2.247 -17.737 6.749 717 1HB PHE 96 HB2 PHE 96 -4.113 -19.184 7.827 718 2HB PHE 96 HB1 PHE 96 -4.305 -18.667 6.158 719 HD1 PHE 96 HD1 PHE 96 -3.211 -21.551 8.253 720 HD2 PHE 96 HD2 PHE 96 -4.661 -20.250 4.461 721 HE1 PHE 96 HE1 PHE 96 -3.504 -23.894 7.562 722 HE2 PHE 96 HE2 PHE 96 -4.959 -22.593 3.771 723 HZ PHE 96 HZ PHE 96 -4.380 -24.416 5.321 724 H ARG 97 HN ARG 97 -2.027 -17.539 8.942 725 HA ARG 97 HA ARG 97 -0.203 -19.397 10.252 726 1HB ARG 97 HB2 ARG 97 0.097 -16.907 10.385 727 2HB ARG 97 HB1 ARG 97 -1.429 -16.803 11.250 728 1HG ARG 97 HG2 ARG 97 -0.361 -18.385 12.957 729 2HG ARG 97 HG1 ARG 97 1.169 -17.999 12.164 730 1HD ARG 97 HD2 ARG 97 0.873 -16.531 14.053 731 2HD ARG 97 HD1 ARG 97 0.713 -15.589 12.569 732 HE ARG 97 HE ARG 97 -1.833 -16.484 13.413 733 1HH1 ARG 97 HH11 ARG 97 0.643 -14.160 14.249 734 2HH1 ARG 97 HH12 ARG 97 -0.458 -13.083 15.043 735 1HH2 ARG 97 HH21 ARG 97 -3.284 -15.070 14.433 736 2HH2 ARG 97 HH22 ARG 97 -2.697 -13.603 15.156 737 H ARG 98 HN ARG 98 -1.220 -21.174 11.099 738 HA ARG 98 HA ARG 98 -3.977 -20.919 12.001 739 1HB ARG 98 HB2 ARG 98 -3.031 -22.902 10.615 740 2HB ARG 98 HB1 ARG 98 -2.374 -23.469 12.148 741 1HG ARG 98 HG2 ARG 98 -4.647 -23.445 13.106 742 2HG ARG 98 HG1 ARG 98 -5.283 -22.936 11.544 743 1HD ARG 98 HD2 ARG 98 -4.253 -25.054 10.591 744 2HD ARG 98 HD1 ARG 98 -3.996 -25.564 12.262 745 HE ARG 98 HE ARG 98 -6.697 -24.789 11.425 746 1HH1 ARG 98 HH11 ARG 98 -4.502 -27.322 12.470 747 2HH1 ARG 98 HH12 ARG 98 -5.764 -28.490 12.671 748 1HH2 ARG 98 HH21 ARG 98 -8.335 -26.302 11.707 749 2HH2 ARG 98 HH22 ARG 98 -7.953 -27.914 12.235 750 H GLY 99 HN GLY 99 -3.907 -19.771 13.852 751 1HA GLY 99 HA2 GLY 99 -3.872 -19.915 16.256 752 2HA GLY 99 HA1 GLY 99 -2.451 -20.948 16.136 753 H GLY 100 HN GLY 100 -2.195 -18.914 17.830 754 1HA GLY 100 HA2 GLY 100 -1.253 -16.514 16.521 755 2HA GLY 100 HA1 GLY 100 -1.255 -16.834 18.247 756 H GLY 101 HN GLY 101 0.341 -18.199 15.339 757 1HA GLY 101 HA2 GLY 101 2.908 -17.348 15.927 758 2HA GLY 101 HA1 GLY 101 2.713 -18.872 16.775 759 HA PRO 102 HA PRO 102 3.966 -21.140 13.352 760 1HB PRO 102 HB2 PRO 102 2.299 -23.274 13.182 761 2HB PRO 102 HB1 PRO 102 3.428 -23.045 14.524 762 1HG PRO 102 HG2 PRO 102 0.495 -22.415 14.392 763 2HG PRO 102 HG1 PRO 102 1.406 -23.223 15.684 764 1HD PRO 102 HD2 PRO 102 0.729 -20.605 15.816 765 2HD PRO 102 HD1 PRO 102 2.236 -21.228 16.518 766 H GLU 103 HN GLU 103 3.946 -20.874 11.225 767 HA GLU 103 HA GLU 103 1.529 -20.124 9.810 768 1HB GLU 103 HB2 GLU 103 4.392 -20.506 8.909 769 2HB GLU 103 HB1 GLU 103 3.086 -20.088 7.809 770 1HG GLU 103 HG2 GLU 103 2.711 -18.007 9.025 771 2HG GLU 103 HG1 GLU 103 3.996 -18.428 10.157 772 H GLN 104 HN GLN 104 0.708 -21.248 8.015 773 HA GLN 104 HA GLN 104 1.688 -23.892 7.360 774 1HB GLN 104 HB2 GLN 104 0.157 -24.455 9.161 775 2HB GLN 104 HB1 GLN 104 -1.097 -23.431 8.474 776 1HG GLN 104 HG2 GLN 104 -1.274 -24.919 6.547 777 2HG GLN 104 HG1 GLN 104 0.008 -25.933 7.202 778 1HE2 GLN 104 HE21 GLN 104 -0.901 -25.775 9.945 779 2HE2 GLN 104 HE22 GLN 104 -2.332 -26.742 10.037 780 H SER 105 HN SER 105 0.933 -24.572 5.297 781 HA SER 105 HA SER 105 -0.660 -22.600 3.814 782 1HB SER 105 HB2 SER 105 0.933 -22.911 1.863 783 2HB SER 105 HB1 SER 105 1.586 -22.008 3.228 784 HG SER 105 HG SER 105 2.099 -24.589 3.629 785 H HIS 106 HN HIS 106 -1.909 -23.424 2.168 786 HA HIS 106 HA HIS 106 -1.943 -26.361 1.879 787 1HB HIS 106 HB2 HIS 106 -3.811 -25.543 3.321 788 2HB HIS 106 HB1 HIS 106 -4.362 -24.530 1.992 789 HD1 HIS 106 HD1 HIS 106 -6.155 -25.546 0.638 790 HD2 HIS 106 HD2 HIS 106 -3.808 -28.432 2.483 791 HE1 HIS 106 HE1 HIS 106 -7.229 -27.746 0.077 792 HE2 HIS 106 HE2 HIS 106 -5.937 -29.439 1.418 793 H HIS 107 HN HIS 107 -2.254 -27.121 -0.184 794 HA HIS 107 HA HIS 107 -2.311 -25.097 -2.331 795 1HB HIS 107 HB2 HIS 107 -0.219 -26.292 -2.328 796 2HB HIS 107 HB1 HIS 107 -1.035 -27.839 -2.200 797 HD1 HIS 107 HD1 HIS 107 0.326 -28.565 -4.317 798 HD2 HIS 107 HD2 HIS 107 -2.414 -25.507 -4.968 799 HE1 HIS 107 HE1 HIS 107 0.055 -28.422 -6.807 800 HE2 HIS 107 HE2 HIS 107 -1.770 -26.733 -7.152 801 H GLU 108 HN GLU 108 -4.312 -24.948 -3.098 802 HA GLU 108 HA GLU 108 -5.823 -27.428 -3.587 803 1HB GLU 108 HB2 GLU 108 -7.891 -26.278 -2.894 804 2HB GLU 108 HB1 GLU 108 -6.737 -26.428 -1.580 805 1HG GLU 108 HG2 GLU 108 -7.063 -23.919 -3.214 806 2HG GLU 108 HG1 GLU 108 -7.960 -24.239 -1.732 807 H ARG 109 HN ARG 109 -7.947 -26.683 -4.815 808 HA ARG 109 HA ARG 109 -7.205 -25.033 -7.131 809 1HB ARG 109 HB2 ARG 109 -6.746 -27.521 -7.496 810 2HB ARG 109 HB1 ARG 109 -8.472 -27.784 -7.324 811 1HG ARG 109 HG2 ARG 109 -8.688 -26.068 -9.252 812 2HG ARG 109 HG1 ARG 109 -6.977 -26.409 -9.524 813 1HD ARG 109 HD2 ARG 109 -8.182 -27.875 -10.951 814 2HD ARG 109 HD1 ARG 109 -7.604 -28.863 -9.609 815 HE ARG 109 HE ARG 109 -10.268 -27.804 -9.259 816 1HH1 ARG 109 HH11 ARG 109 -8.380 -30.523 -10.417 817 2HH1 ARG 109 HH12 ARG 109 -9.736 -31.608 -10.417 818 1HH2 ARG 109 HH21 ARG 109 -12.043 -29.245 -9.252 819 2HH2 ARG 109 HH22 ARG 109 -11.807 -30.884 -9.773 820 H SER 110 HN SER 110 -8.790 -23.475 -7.054 821 HA SER 110 HA SER 110 -11.504 -24.319 -6.274 822 1HB SER 110 HB2 SER 110 -11.927 -21.893 -5.888 823 2HB SER 110 HB1 SER 110 -10.626 -22.537 -4.888 824 HG SER 110 HG SER 110 -9.816 -21.506 -7.317 825 H GLN 111 HN GLN 111 -12.992 -24.528 -7.780 826 HA GLN 111 HA GLN 111 -12.600 -23.395 -10.437 827 1HB GLN 111 HB2 GLN 111 -14.744 -25.250 -9.351 828 2HB GLN 111 HB1 GLN 111 -14.659 -24.696 -11.017 829 1HG GLN 111 HG2 GLN 111 -13.738 -26.848 -11.041 830 2HG GLN 111 HG1 GLN 111 -12.354 -25.761 -11.111 831 1HE2 GLN 111 HE21 GLN 111 -11.033 -25.550 -9.269 832 2HE2 GLN 111 HE22 GLN 111 -11.046 -26.724 -7.997 833 H PHE 112 HN PHE 112 -14.127 -22.027 -11.425 834 HA PHE 112 HA PHE 112 -15.983 -20.634 -9.615 835 1HB PHE 112 HB2 PHE 112 -13.946 -19.393 -11.477 836 2HB PHE 112 HB1 PHE 112 -15.321 -18.499 -10.840 837 HD1 PHE 112 HD1 PHE 112 -12.199 -20.253 -9.911 838 HD2 PHE 112 HD2 PHE 112 -15.333 -17.672 -8.617 839 HE1 PHE 112 HE1 PHE 112 -10.933 -19.737 -7.868 840 HE2 PHE 112 HE2 PHE 112 -14.065 -17.156 -6.574 841 HZ PHE 112 HZ PHE 112 -11.864 -18.188 -6.197 842 H ARG 113 HN ARG 113 -17.780 -19.739 -10.591 843 HA ARG 113 HA ARG 113 -18.432 -20.740 -13.284 844 1HB ARG 113 HB2 ARG 113 -19.591 -22.077 -11.679 845 2HB ARG 113 HB1 ARG 113 -20.054 -20.671 -10.737 846 1HG ARG 113 HG2 ARG 113 -21.645 -19.996 -12.401 847 2HG ARG 113 HG1 ARG 113 -21.087 -21.254 -13.514 848 1HD ARG 113 HD2 ARG 113 -21.822 -22.982 -11.971 849 2HD ARG 113 HD1 ARG 113 -22.262 -21.770 -10.775 850 HE ARG 113 HE ARG 113 -23.667 -21.611 -13.314 851 1HH1 ARG 113 HH11 ARG 113 -23.659 -22.663 -9.969 852 2HH1 ARG 113 HH12 ARG 113 -25.349 -23.068 -9.948 853 1HH2 ARG 113 HH21 ARG 113 -25.923 -22.121 -13.278 854 2HH2 ARG 113 HH22 ARG 113 -26.633 -22.743 -11.825 855 H LYS 114 HN LYS 114 -19.257 -19.273 -14.669 856 HA LYS 114 HA LYS 114 -19.414 -16.509 -13.727 857 1HB LYS 114 HB2 LYS 114 -17.988 -17.222 -15.693 858 2HB LYS 114 HB1 LYS 114 -19.488 -17.505 -16.572 859 1HG LYS 114 HG2 LYS 114 -20.102 -15.162 -16.307 860 2HG LYS 114 HG1 LYS 114 -18.635 -14.871 -15.369 861 1HD LYS 114 HD2 LYS 114 -17.329 -15.636 -17.391 862 2HD LYS 114 HD1 LYS 114 -18.851 -15.604 -18.287 863 1HE LYS 114 HE2 LYS 114 -19.111 -13.221 -17.633 864 2HE LYS 114 HE1 LYS 114 -17.512 -13.285 -16.901 865 1HZ LYS 114 HZ1 LYS 114 -18.145 -13.697 -19.769 866 2HZ LYS 114 HZ2 LYS 114 -16.610 -13.888 -19.087 867 3HZ LYS 114 HZ3 LYS 114 -17.347 -12.369 -19.092 868 H ALA 115 HN ALA 115 -21.269 -15.451 -13.527 869 HA ALA 115 HA ALA 115 -23.580 -16.169 -15.164 870 1HB ALA 115 HB1 ALA 115 -23.873 -17.462 -13.099 871 2HB ALA 115 HB2 ALA 115 -25.091 -16.195 -13.236 872 3HB ALA 115 HB3 ALA 115 -23.720 -15.985 -12.146 873 H ARG 116 HN ARG 116 -24.632 -14.386 -15.859 874 HA ARG 116 HA ARG 116 -25.222 -12.214 -16.171 875 1HB ARG 116 HB2 ARG 116 -24.704 -12.091 -13.190 876 2HB ARG 116 HB1 ARG 116 -25.366 -10.746 -14.109 877 1HG ARG 116 HG2 ARG 116 -26.637 -13.472 -13.858 878 2HG ARG 116 HG1 ARG 116 -27.101 -12.037 -12.941 879 1HD ARG 116 HD2 ARG 116 -27.670 -10.891 -15.040 880 2HD ARG 116 HD1 ARG 116 -27.222 -12.336 -15.945 881 HE ARG 116 HE ARG 116 -29.188 -12.942 -13.992 882 1HH1 ARG 116 HH11 ARG 116 -28.777 -11.436 -17.124 883 2HH1 ARG 116 HH12 ARG 116 -30.406 -11.748 -17.632 884 1HH2 ARG 116 HH21 ARG 116 -31.341 -13.357 -14.658 885 2HH2 ARG 116 HH22 ARG 116 -31.865 -12.839 -16.227 886 H GLY 117 HN GLY 117 -22.386 -13.096 -16.393 887 1HA GLY 117 HA2 GLY 117 -20.569 -11.943 -17.309 888 2HA GLY 117 HA1 GLY 117 -21.272 -10.434 -16.737 889 H ARG 118 HN ARG 118 -21.382 -12.458 -14.174 890 HA ARG 118 HA ARG 118 -18.822 -11.423 -13.137 891 1HB ARG 118 HB2 ARG 118 -21.478 -11.573 -11.675 892 2HB ARG 118 HB1 ARG 118 -19.966 -10.946 -11.020 893 1HG ARG 118 HG2 ARG 118 -19.976 -9.093 -12.494 894 2HG ARG 118 HG1 ARG 118 -21.255 -9.788 -13.483 895 1HD ARG 118 HD2 ARG 118 -22.825 -9.514 -11.620 896 2HD ARG 118 HD1 ARG 118 -21.539 -8.788 -10.648 897 HE ARG 118 HE ARG 118 -22.318 -7.588 -13.223 898 1HH1 ARG 118 HH11 ARG 118 -22.049 -7.311 -9.738 899 2HH1 ARG 118 HH12 ARG 118 -22.351 -5.607 -9.731 900 1HH2 ARG 118 HH21 ARG 118 -22.726 -5.356 -13.206 901 2HH2 ARG 118 HH22 ARG 118 -22.734 -4.495 -11.698 902 H TRP 119 HN TRP 119 -17.648 -12.765 -11.833 903 HA TRP 119 HA TRP 119 -18.316 -15.576 -12.104 904 1HB TRP 119 HB2 TRP 119 -15.806 -14.110 -11.289 905 2HB TRP 119 HB1 TRP 119 -15.947 -15.864 -11.204 906 HD1 TRP 119 HD1 TRP 119 -15.880 -13.007 -13.799 907 HE1 TRP 119 HE1 TRP 119 -15.227 -14.019 -16.080 908 HE3 TRP 119 HE3 TRP 119 -15.936 -17.944 -12.526 909 HZ2 TRP 119 HZ2 TRP 119 -14.811 -16.579 -17.186 910 HZ3 TRP 119 HZ3 TRP 119 -15.407 -19.617 -14.252 911 HH2 TRP 119 HH2 TRP 119 -14.856 -18.946 -16.536 912 H TYR 120 HN TYR 120 -18.518 -17.028 -10.478 913 HA TYR 120 HA TYR 120 -18.500 -16.069 -7.699 914 1HB TYR 120 HB2 TYR 120 -20.687 -17.719 -9.010 915 2HB TYR 120 HB1 TYR 120 -20.569 -17.407 -7.281 916 HD1 TYR 120 HD2 TYR 120 -21.319 -15.911 -10.566 917 HD2 TYR 120 HD1 TYR 120 -21.167 -15.244 -6.361 918 HE1 TYR 120 HE2 TYR 120 -22.592 -13.826 -10.855 919 HE2 TYR 120 HE1 TYR 120 -22.440 -13.161 -6.641 920 HH TYR 120 HH TYR 120 -22.932 -11.512 -8.363 921 H PHE 121 HN PHE 121 -17.820 -17.572 -6.207 922 HA PHE 121 HA PHE 121 -16.088 -19.618 -7.062 923 1HB PHE 121 HB2 PHE 121 -15.632 -18.580 -4.987 924 2HB PHE 121 HB1 PHE 121 -17.254 -18.878 -4.377 925 HD1 PHE 121 HD1 PHE 121 -13.993 -20.438 -5.136 926 HD2 PHE 121 HD2 PHE 121 -17.812 -20.930 -3.306 927 HE1 PHE 121 HE1 PHE 121 -13.199 -22.482 -4.022 928 HE2 PHE 121 HE2 PHE 121 -17.025 -22.975 -2.198 929 HZ PHE 121 HZ PHE 121 -14.711 -23.752 -2.550 930 H SER 122 HN SER 122 -16.496 -21.626 -7.701 931 HA SER 122 HA SER 122 -19.181 -22.721 -7.401 932 1HB SER 122 HB2 SER 122 -16.819 -23.851 -8.929 933 2HB SER 122 HB1 SER 122 -18.506 -24.349 -9.070 934 HG SER 122 HG SER 122 -18.627 -21.844 -9.526 935 H GLU 123 HN GLU 123 -15.818 -23.771 -6.779 936 HA GLU 123 HA GLU 123 -16.451 -25.172 -4.417 937 1HB GLU 123 HB2 GLU 123 -16.099 -27.507 -5.332 938 2HB GLU 123 HB1 GLU 123 -17.630 -26.751 -5.752 939 1HG GLU 123 HG2 GLU 123 -16.482 -26.065 -7.940 940 2HG GLU 123 HG1 GLU 123 -15.237 -27.236 -7.501 941 H GLY 124 HN GLY 124 -14.625 -26.380 -3.563 942 1HA GLY 124 HA2 GLY 124 -12.059 -25.844 -4.897 943 2HA GLY 124 HA1 GLY 124 -12.325 -25.209 -3.278 944 H GLU 125 HN GLU 125 -10.615 -27.409 -4.648 945 HA GLU 125 HA GLU 125 -10.804 -29.291 -2.420 946 1HB GLU 125 HB2 GLU 125 -10.628 -31.222 -3.985 947 2HB GLU 125 HB1 GLU 125 -12.154 -30.358 -4.128 948 1HG GLU 125 HG2 GLU 125 -11.326 -29.205 -6.117 949 2HG GLU 125 HG1 GLU 125 -9.786 -30.053 -5.972 950 H ALA 126 HN ALA 126 -8.836 -30.547 -2.157 951 HA ALA 126 HA ALA 126 -6.489 -29.024 -2.676 952 1HB ALA 126 HB1 ALA 126 -5.289 -30.864 -1.595 953 2HB ALA 126 HB2 ALA 126 -6.744 -31.859 -1.661 954 3HB ALA 126 HB3 ALA 126 -6.717 -30.403 -0.667 955 H VAL 127 HN VAL 127 -4.756 -29.459 -4.051 956 HA VAL 127 HA VAL 127 -5.458 -30.821 -6.502 957 HB VAL 127 HB VAL 127 -2.870 -29.447 -5.724 958 1HG1 VAL 127 HG11 VAL 127 -2.494 -31.077 -7.494 959 2HG1 VAL 127 HG12 VAL 127 -2.387 -29.440 -8.143 960 3HG1 VAL 127 HG13 VAL 127 -3.835 -30.407 -8.424 961 1HG2 VAL 127 HG21 VAL 127 -4.782 -27.918 -5.768 962 2HG2 VAL 127 HG22 VAL 127 -5.170 -28.451 -7.405 963 3HG2 VAL 127 HG23 VAL 127 -3.664 -27.589 -7.092 964 H ASP 128 HN ASP 128 -5.414 -32.973 -6.428 965 HA ASP 128 HA ASP 128 -3.051 -34.298 -5.259 966 1HB ASP 128 HB2 ASP 128 -5.266 -34.763 -4.131 967 2HB ASP 128 HB1 ASP 128 -5.802 -35.521 -5.626 Start of MODEL 3 1 1H MET 1 HT1 MET 1 -0.679 2.364 -1.076 2 2H MET 1 HT2 MET 1 0.892 1.775 -1.269 3 3H MET 1 HT3 MET 1 0.520 2.769 0.046 4 HA MET 1 HA MET 1 0.710 0.464 0.712 5 1HB MET 1 HB2 MET 1 -2.115 1.566 0.809 6 2HB MET 1 HB1 MET 1 -1.513 0.258 1.820 7 1HG MET 1 HG2 MET 1 -0.520 3.103 1.821 8 2HG MET 1 HG1 MET 1 -1.557 2.355 3.036 9 1HE MET 1 HE1 MET 1 1.162 3.885 3.774 10 2HE MET 1 HE2 MET 1 1.802 2.776 4.985 11 3HE MET 1 HE3 MET 1 0.077 3.137 4.948 12 H ASN 2 HN ASN 2 0.846 -1.443 -0.274 13 HA ASN 2 HA ASN 2 -0.780 -2.082 -2.554 14 1HB ASN 2 HB2 ASN 2 1.345 -3.622 -1.053 15 2HB ASN 2 HB1 ASN 2 0.456 -4.312 -2.407 16 1HD2 ASN 2 HD21 ASN 2 3.316 -3.677 -2.106 17 2HD2 ASN 2 HD22 ASN 2 3.702 -2.633 -3.428 18 H CYS 3 HN CYS 3 -1.469 -4.647 -2.422 19 HA CYS 3 HA CYS 3 -3.595 -4.562 -0.374 20 1HB CYS 3 HB2 CYS 3 -4.102 -4.402 -2.917 21 2HB CYS 3 HB1 CYS 3 -3.727 -6.124 -2.946 22 H VAL 4 HN VAL 4 -4.042 -6.374 0.834 23 HA VAL 4 HA VAL 4 -2.150 -8.492 0.981 24 HB VAL 4 HB VAL 4 -3.871 -9.618 2.452 25 1HG1 VAL 4 HG11 VAL 4 -2.112 -8.178 3.351 26 2HG1 VAL 4 HG12 VAL 4 -3.601 -8.011 4.283 27 3HG1 VAL 4 HG13 VAL 4 -3.140 -6.763 3.123 28 1HG2 VAL 4 HG21 VAL 4 -5.811 -8.272 3.155 29 2HG2 VAL 4 HG22 VAL 4 -5.883 -8.679 1.440 30 3HG2 VAL 4 HG23 VAL 4 -5.399 -7.059 1.941 31 H CYS 5 HN CYS 5 -2.060 -9.053 -1.194 32 HA CYS 5 HA CYS 5 -3.608 -11.327 -1.928 33 1HB CYS 5 HB2 CYS 5 -3.892 -8.844 -3.646 34 2HB CYS 5 HB1 CYS 5 -4.442 -10.453 -4.094 35 H GLY 6 HN GLY 6 -2.457 -12.556 -3.457 36 1HA GLY 6 HA2 GLY 6 0.226 -11.908 -4.052 37 2HA GLY 6 HA1 GLY 6 -0.719 -13.178 -4.821 38 H SER 7 HN SER 7 -0.149 -9.694 -4.835 39 HA SER 7 HA SER 7 -0.196 -9.428 -7.656 40 1HB SER 7 HB2 SER 7 -2.322 -8.056 -7.757 41 2HB SER 7 HB1 SER 7 -2.593 -9.774 -7.451 42 HG SER 7 HG SER 7 -2.232 -8.405 -5.141 43 H GLY 8 HN GLY 8 0.959 -7.624 -8.085 44 1HA GLY 8 HA2 GLY 8 1.741 -5.852 -5.954 45 2HA GLY 8 HA1 GLY 8 2.258 -5.767 -7.633 46 H LYS 9 HN LYS 9 -0.790 -5.457 -5.842 47 HA LYS 9 HA LYS 9 -1.288 -2.880 -7.178 48 1HB LYS 9 HB2 LYS 9 -3.424 -4.981 -6.747 49 2HB LYS 9 HB1 LYS 9 -3.584 -3.462 -7.615 50 1HG LYS 9 HG2 LYS 9 -1.483 -5.076 -8.768 51 2HG LYS 9 HG1 LYS 9 -2.989 -5.978 -8.667 52 1HD LYS 9 HD2 LYS 9 -2.813 -4.831 -10.811 53 2HD LYS 9 HD1 LYS 9 -4.151 -4.178 -9.867 54 1HE LYS 9 HE2 LYS 9 -2.798 -2.268 -9.220 55 2HE LYS 9 HE1 LYS 9 -1.404 -2.937 -10.071 56 1HZ LYS 9 HZ1 LYS 9 -2.551 -1.218 -11.354 57 2HZ LYS 9 HZ2 LYS 9 -3.961 -2.147 -11.356 58 3HZ LYS 9 HZ3 LYS 9 -2.582 -2.709 -12.147 59 H THR 10 HN THR 10 -2.852 -1.559 -6.043 60 HA THR 10 HA THR 10 -2.459 -1.667 -3.188 61 HB THR 10 HB THR 10 -3.628 0.460 -3.113 62 HG1 THR 10 HG1 THR 10 -4.234 1.112 -5.522 63 1HG2 THR 10 HG21 THR 10 -2.268 1.791 -4.658 64 2HG2 THR 10 HG22 THR 10 -1.855 0.332 -5.558 65 3HG2 THR 10 HG23 THR 10 -1.302 0.529 -3.894 66 H TYR 11 HN TYR 11 -4.555 -1.056 -1.833 67 HA TYR 11 HA TYR 11 -6.384 -3.184 -1.915 68 1HB TYR 11 HB2 TYR 11 -6.229 -1.996 0.144 69 2HB TYR 11 HB1 TYR 11 -6.525 -0.445 -0.636 70 HD1 TYR 11 HD2 TYR 11 -8.156 -3.693 0.191 71 HD2 TYR 11 HD1 TYR 11 -8.721 0.418 -0.775 72 HE1 TYR 11 HE2 TYR 11 -10.558 -3.914 0.651 73 HE2 TYR 11 HE1 TYR 11 -11.126 0.198 -0.321 74 HH TYR 11 HH TYR 11 -12.835 -1.577 -0.269 75 H ASP 12 HN ASP 12 -6.699 0.166 -2.982 76 HA ASP 12 HA ASP 12 -9.337 -0.017 -3.948 77 1HB ASP 12 HB2 ASP 12 -7.211 1.919 -4.906 78 2HB ASP 12 HB1 ASP 12 -8.956 2.161 -4.899 79 H ASP 13 HN ASP 13 -6.241 0.092 -5.710 80 HA ASP 13 HA ASP 13 -7.264 -0.266 -8.283 81 1HB ASP 13 HB2 ASP 13 -4.562 -0.869 -7.082 82 2HB ASP 13 HB1 ASP 13 -4.902 -1.212 -8.774 83 H CYS 14 HN CYS 14 -6.722 -2.577 -5.761 84 HA CYS 14 HA CYS 14 -7.127 -4.798 -7.642 85 1HB CYS 14 HB2 CYS 14 -5.223 -5.194 -6.319 86 2HB CYS 14 HB1 CYS 14 -6.021 -4.659 -4.848 87 H CYS 15 HN CYS 15 -8.122 -4.564 -4.207 88 HA CYS 15 HA CYS 15 -10.464 -6.118 -4.821 89 1HB CYS 15 HB2 CYS 15 -9.398 -4.977 -2.245 90 2HB CYS 15 HB1 CYS 15 -10.952 -5.802 -2.333 91 H GLY 16 HN GLY 16 -9.866 -2.740 -4.689 92 1HA GLY 16 HA2 GLY 16 -12.028 -1.716 -3.318 93 2HA GLY 16 HA1 GLY 16 -11.236 -0.902 -4.653 94 HA PRO 17 HA PRO 17 -14.736 -1.388 -7.289 95 1HB PRO 17 HB2 PRO 17 -14.045 -2.883 -9.465 96 2HB PRO 17 HB1 PRO 17 -13.480 -1.229 -9.210 97 1HG PRO 17 HG2 PRO 17 -12.072 -3.818 -8.645 98 2HG PRO 17 HG1 PRO 17 -11.441 -2.346 -9.409 99 1HD PRO 17 HD2 PRO 17 -10.959 -2.924 -6.820 100 2HD PRO 17 HD1 PRO 17 -11.178 -1.254 -7.382 101 H LEU 18 HN LEU 18 -13.226 -4.418 -6.474 102 HA LEU 18 HA LEU 18 -15.437 -6.084 -7.220 103 1HB LEU 18 HB2 LEU 18 -12.887 -6.528 -5.691 104 2HB LEU 18 HB1 LEU 18 -14.132 -7.760 -5.703 105 HG LEU 18 HG LEU 18 -12.516 -8.328 -7.370 106 1HD1 LEU 18 HD11 LEU 18 -14.949 -7.176 -8.727 107 2HD1 LEU 18 HD12 LEU 18 -14.855 -8.749 -7.933 108 3HD1 LEU 18 HD13 LEU 18 -13.885 -8.428 -9.368 109 1HD2 LEU 18 HD21 LEU 18 -12.943 -5.583 -8.556 110 2HD2 LEU 18 HD22 LEU 18 -11.945 -6.867 -9.242 111 3HD2 LEU 18 HD23 LEU 18 -11.500 -6.132 -7.701 112 H LEU 19 HN LEU 19 -14.159 -4.859 -4.152 113 HA LEU 19 HA LEU 19 -16.164 -6.020 -2.518 114 1HB LEU 19 HB2 LEU 19 -14.086 -3.894 -2.152 115 2HB LEU 19 HB1 LEU 19 -15.339 -4.070 -0.936 116 HG LEU 19 HG LEU 19 -13.594 -6.387 -1.793 117 1HD1 LEU 19 HD11 LEU 19 -13.137 -4.479 0.506 118 2HD1 LEU 19 HD12 LEU 19 -12.138 -4.618 -0.941 119 3HD1 LEU 19 HD13 LEU 19 -12.235 -5.963 0.194 120 1HD2 LEU 19 HD21 LEU 19 -15.269 -5.887 0.670 121 2HD2 LEU 19 HD22 LEU 19 -14.293 -7.322 0.352 122 3HD2 LEU 19 HD23 LEU 19 -15.684 -6.959 -0.668 123 H ALA 20 HN ALA 20 -15.845 -2.946 -4.193 124 HA ALA 20 HA ALA 20 -18.152 -1.696 -3.155 125 1HB ALA 20 HB1 ALA 20 -18.014 -0.235 -5.115 126 2HB ALA 20 HB2 ALA 20 -16.862 -1.340 -5.866 127 3HB ALA 20 HB3 ALA 20 -16.423 -0.478 -4.392 128 H ARG 21 HN ARG 21 -17.745 -4.320 -5.310 129 HA ARG 21 HA ARG 21 -19.181 -5.699 -6.394 130 1HB ARG 21 HB2 ARG 21 -21.334 -4.169 -4.902 131 2HB ARG 21 HB1 ARG 21 -21.564 -5.697 -5.741 132 1HG ARG 21 HG2 ARG 21 -19.669 -5.321 -3.424 133 2HG ARG 21 HG1 ARG 21 -21.331 -5.886 -3.260 134 1HD ARG 21 HD2 ARG 21 -19.290 -7.255 -5.013 135 2HD ARG 21 HD1 ARG 21 -19.548 -7.682 -3.321 136 HE ARG 21 HE ARG 21 -21.995 -7.707 -4.780 137 1HH1 ARG 21 HH11 ARG 21 -19.081 -9.590 -4.282 138 2HH1 ARG 21 HH12 ARG 21 -19.871 -11.111 -4.548 139 1HH2 ARG 21 HH21 ARG 21 -23.031 -9.710 -5.111 140 2HH2 ARG 21 HH22 ARG 21 -22.110 -11.180 -5.018 141 H THR 22 HN THR 22 -18.508 -2.869 -7.289 142 HA THR 22 HA THR 22 -20.737 -2.215 -9.048 143 HB THR 22 HB THR 22 -19.562 -0.407 -7.821 144 HG1 THR 22 HG1 THR 22 -19.908 -0.482 -10.558 145 1HG2 THR 22 HG21 THR 22 -17.314 0.289 -8.506 146 2HG2 THR 22 HG22 THR 22 -17.202 -1.105 -9.580 147 3HG2 THR 22 HG23 THR 22 -17.296 -1.341 -7.834 148 H ARG 23 HN ARG 23 -17.698 -3.844 -9.131 149 HA ARG 23 HA ARG 23 -17.856 -4.052 -12.068 150 1HB ARG 23 HB2 ARG 23 -16.023 -2.556 -11.589 151 2HB ARG 23 HB1 ARG 23 -15.388 -3.647 -10.364 152 1HG ARG 23 HG2 ARG 23 -14.961 -5.322 -12.161 153 2HG ARG 23 HG1 ARG 23 -15.455 -4.110 -13.344 154 1HD ARG 23 HD2 ARG 23 -13.633 -2.675 -12.728 155 2HD ARG 23 HD1 ARG 23 -13.216 -3.710 -11.360 156 HE ARG 23 HE ARG 23 -13.110 -4.927 -14.004 157 1HH1 ARG 23 HH11 ARG 23 -11.329 -3.354 -11.433 158 2HH1 ARG 23 HH12 ARG 23 -9.815 -4.078 -11.864 159 1HH2 ARG 23 HH21 ARG 23 -11.108 -5.852 -14.601 160 2HH2 ARG 23 HH22 ARG 23 -9.686 -5.489 -13.674 161 H SER 24 HN SER 24 -17.564 -6.049 -12.906 162 HA SER 24 HA SER 24 -17.446 -8.321 -11.125 163 1HB SER 24 HB2 SER 24 -17.512 -8.236 -14.160 164 2HB SER 24 HB1 SER 24 -17.843 -9.639 -13.143 165 HG SER 24 HG SER 24 -19.495 -7.618 -13.884 166 H ALA 25 HN ALA 25 -15.741 -9.767 -10.937 167 HA ALA 25 HA ALA 25 -13.128 -8.851 -11.242 168 1HB ALA 25 HB1 ALA 25 -13.780 -10.600 -9.657 169 2HB ALA 25 HB2 ALA 25 -12.427 -11.113 -10.663 170 3HB ALA 25 HB3 ALA 25 -14.051 -11.716 -10.996 171 H ALA 26 HN ALA 26 -15.094 -10.834 -13.372 172 HA ALA 26 HA ALA 26 -14.954 -11.315 -15.576 173 1HB ALA 26 HB1 ALA 26 -14.471 -8.925 -15.827 174 2HB ALA 26 HB2 ALA 26 -13.622 -9.892 -17.032 175 3HB ALA 26 HB3 ALA 26 -12.748 -9.254 -15.639 176 H SER 27 HN SER 27 -12.810 -12.331 -13.435 177 HA SER 27 HA SER 27 -11.713 -14.315 -15.194 178 1HB SER 27 HB2 SER 27 -9.825 -12.362 -13.835 179 2HB SER 27 HB1 SER 27 -9.328 -13.854 -14.630 180 HG SER 27 HG SER 27 -10.562 -12.836 -16.510 181 HA PRO 28 HA PRO 28 -12.226 -16.738 -11.555 182 1HB PRO 28 HB2 PRO 28 -10.111 -18.524 -11.855 183 2HB PRO 28 HB1 PRO 28 -11.692 -18.677 -12.626 184 1HG PRO 28 HG2 PRO 28 -9.136 -17.597 -13.740 185 2HG PRO 28 HG1 PRO 28 -10.369 -18.598 -14.529 186 1HD PRO 28 HD2 PRO 28 -10.194 -15.960 -14.998 187 2HD PRO 28 HD1 PRO 28 -11.768 -16.781 -14.924 188 H GLU 29 HN GLU 29 -8.737 -16.100 -12.153 189 HA GLU 29 HA GLU 29 -8.075 -16.282 -9.401 190 1HB GLU 29 HB2 GLU 29 -5.889 -15.167 -10.149 191 2HB GLU 29 HB1 GLU 29 -6.280 -16.739 -10.819 192 1HG GLU 29 HG2 GLU 29 -5.402 -15.437 -12.578 193 2HG GLU 29 HG1 GLU 29 -7.134 -15.571 -12.862 194 H ALA 30 HN ALA 30 -8.987 -13.616 -11.479 195 HA ALA 30 HA ALA 30 -8.350 -11.491 -9.766 196 1HB ALA 30 HB1 ALA 30 -8.946 -11.168 -12.114 197 2HB ALA 30 HB2 ALA 30 -9.966 -10.187 -11.062 198 3HB ALA 30 HB3 ALA 30 -10.601 -11.673 -11.772 199 H LEU 31 HN LEU 31 -10.998 -13.754 -9.769 200 HA LEU 31 HA LEU 31 -12.597 -12.248 -7.894 201 1HB LEU 31 HB2 LEU 31 -13.506 -13.791 -9.675 202 2HB LEU 31 HB1 LEU 31 -12.905 -15.138 -8.733 203 HG LEU 31 HG LEU 31 -15.381 -14.620 -8.527 204 1HD1 LEU 31 HD11 LEU 31 -13.793 -14.629 -5.965 205 2HD1 LEU 31 HD12 LEU 31 -14.246 -16.046 -6.912 206 3HD1 LEU 31 HD13 LEU 31 -15.493 -15.068 -6.140 207 1HD2 LEU 31 HD21 LEU 31 -15.213 -12.188 -8.449 208 2HD2 LEU 31 HD22 LEU 31 -14.374 -12.287 -6.899 209 3HD2 LEU 31 HD23 LEU 31 -16.050 -12.819 -7.031 210 H MET 32 HN MET 32 -10.467 -15.095 -7.800 211 HA MET 32 HA MET 32 -11.011 -15.686 -5.070 212 1HB MET 32 HB2 MET 32 -9.316 -17.318 -5.183 213 2HB MET 32 HB1 MET 32 -10.006 -17.278 -6.799 214 1HG MET 32 HG2 MET 32 -8.142 -15.969 -7.603 215 2HG MET 32 HG1 MET 32 -7.471 -15.875 -5.975 216 1HE MET 32 HE1 MET 32 -5.137 -16.785 -6.618 217 2HE MET 32 HE2 MET 32 -5.645 -16.776 -8.307 218 3HE MET 32 HE3 MET 32 -4.874 -18.208 -7.625 219 H ARG 33 HN ARG 33 -8.738 -13.569 -6.690 220 HA ARG 33 HA ARG 33 -7.097 -13.206 -4.364 221 1HB ARG 33 HB2 ARG 33 -5.625 -12.468 -5.862 222 2HB ARG 33 HB1 ARG 33 -6.826 -12.663 -7.120 223 1HG ARG 33 HG2 ARG 33 -6.623 -10.129 -5.512 224 2HG ARG 33 HG1 ARG 33 -5.618 -10.420 -6.929 225 1HD ARG 33 HD2 ARG 33 -7.841 -10.904 -8.145 226 2HD ARG 33 HD1 ARG 33 -8.603 -10.107 -6.768 227 HE ARG 33 HE ARG 33 -6.507 -8.513 -7.824 228 1HH1 ARG 33 HH11 ARG 33 -9.820 -9.466 -8.463 229 2HH1 ARG 33 HH12 ARG 33 -10.141 -8.102 -9.490 230 1HH2 ARG 33 HH21 ARG 33 -6.933 -6.725 -9.166 231 2HH2 ARG 33 HH22 ARG 33 -8.509 -6.524 -9.864 232 H SER 34 HN SER 34 -9.926 -11.640 -5.680 233 HA SER 34 HA SER 34 -9.792 -9.411 -3.858 234 1HB SER 34 HB2 SER 34 -12.200 -9.079 -4.548 235 2HB SER 34 HB1 SER 34 -11.055 -9.094 -5.889 236 HG SER 34 HG SER 34 -13.180 -10.622 -5.559 237 H ARG 35 HN ARG 35 -11.546 -12.465 -4.058 238 HA ARG 35 HA ARG 35 -13.029 -12.370 -1.720 239 1HB ARG 35 HB2 ARG 35 -13.319 -14.088 -3.440 240 2HB ARG 35 HB1 ARG 35 -11.737 -14.757 -3.068 241 1HG ARG 35 HG2 ARG 35 -12.539 -15.370 -0.823 242 2HG ARG 35 HG1 ARG 35 -14.131 -14.727 -1.230 243 1HD ARG 35 HD2 ARG 35 -14.034 -17.174 -1.469 244 2HD ARG 35 HD1 ARG 35 -14.373 -16.374 -3.005 245 HE ARG 35 HE ARG 35 -11.847 -16.655 -3.364 246 1HH1 ARG 35 HH11 ARG 35 -13.836 -18.946 -1.610 247 2HH1 ARG 35 HH12 ARG 35 -12.830 -20.305 -2.002 248 1HH2 ARG 35 HH21 ARG 35 -10.535 -18.467 -3.883 249 2HH2 ARG 35 HH22 ARG 35 -10.974 -20.036 -3.287 250 H TYR 36 HN TYR 36 -9.752 -13.695 -2.181 251 HA TYR 36 HA TYR 36 -9.239 -14.597 0.383 252 1HB TYR 36 HB2 TYR 36 -7.676 -15.108 -1.357 253 2HB TYR 36 HB1 TYR 36 -7.393 -13.405 -1.699 254 HD1 TYR 36 HD1 TYR 36 -6.738 -16.125 0.735 255 HD2 TYR 36 HD2 TYR 36 -5.774 -12.152 -0.463 256 HE1 TYR 36 HE1 TYR 36 -4.813 -16.130 2.266 257 HE2 TYR 36 HE2 TYR 36 -3.852 -12.149 1.064 258 HH TYR 36 HH TYR 36 -3.092 -13.286 3.062 259 H ALA 37 HN ALA 37 -8.787 -11.343 -0.938 260 HA ALA 37 HA ALA 37 -7.493 -10.232 1.293 261 1HB ALA 37 HB1 ALA 37 -7.469 -9.172 -0.903 262 2HB ALA 37 HB2 ALA 37 -8.065 -8.060 0.329 263 3HB ALA 37 HB3 ALA 37 -9.197 -8.843 -0.775 264 H ALA 38 HN ALA 38 -10.883 -10.748 0.576 265 HA ALA 38 HA ALA 38 -12.023 -8.980 2.423 266 1HB ALA 38 HB1 ALA 38 -14.030 -10.372 2.277 267 2HB ALA 38 HB2 ALA 38 -13.095 -11.645 1.492 268 3HB ALA 38 HB3 ALA 38 -13.326 -10.095 0.683 269 H TYR 39 HN TYR 39 -10.955 -12.348 2.807 270 HA TYR 39 HA TYR 39 -11.728 -12.581 5.524 271 1HB TYR 39 HB2 TYR 39 -9.986 -14.132 3.676 272 2HB TYR 39 HB1 TYR 39 -9.709 -14.367 5.394 273 HD1 TYR 39 HD2 TYR 39 -12.876 -13.833 5.893 274 HD2 TYR 39 HD1 TYR 39 -10.575 -16.534 3.528 275 HE1 TYR 39 HE2 TYR 39 -14.709 -15.466 5.974 276 HE2 TYR 39 HE1 TYR 39 -12.408 -18.170 3.619 277 HH TYR 39 HH TYR 39 -14.353 -18.680 5.132 278 H ALA 40 HN ALA 40 -8.776 -11.477 3.954 279 HA ALA 40 HA ALA 40 -7.274 -11.177 6.366 280 1HB ALA 40 HB1 ALA 40 -6.189 -11.417 4.182 281 2HB ALA 40 HB2 ALA 40 -5.686 -9.931 4.989 282 3HB ALA 40 HB3 ALA 40 -6.861 -9.867 3.674 283 H LEU 41 HN LEU 41 -9.593 -9.253 4.669 284 HA LEU 41 HA LEU 41 -9.126 -6.919 6.385 285 1HB LEU 41 HB2 LEU 41 -10.986 -7.315 4.028 286 2HB LEU 41 HB1 LEU 41 -10.798 -5.814 4.919 287 HG LEU 41 HG LEU 41 -8.600 -7.171 3.341 288 1HD1 LEU 41 HD11 LEU 41 -10.259 -4.747 2.657 289 2HD1 LEU 41 HD12 LEU 41 -10.339 -6.323 1.870 290 3HD1 LEU 41 HD13 LEU 41 -8.877 -5.347 1.740 291 1HD2 LEU 41 HD21 LEU 41 -7.376 -5.071 3.681 292 2HD2 LEU 41 HD22 LEU 41 -7.732 -5.874 5.209 293 3HD2 LEU 41 HD23 LEU 41 -8.683 -4.476 4.705 294 H LYS 42 HN LYS 42 -10.283 -9.615 7.059 295 HA LYS 42 HA LYS 42 -11.942 -10.601 8.192 296 1HB LYS 42 HB2 LYS 42 -12.557 -9.456 10.318 297 2HB LYS 42 HB1 LYS 42 -10.840 -9.610 10.026 298 1HG LYS 42 HG2 LYS 42 -12.286 -7.054 9.399 299 2HG LYS 42 HG1 LYS 42 -11.770 -7.428 11.041 300 1HD LYS 42 HD2 LYS 42 -10.045 -7.033 8.595 301 2HD LYS 42 HD1 LYS 42 -10.063 -6.080 10.074 302 1HE LYS 42 HE2 LYS 42 -9.150 -8.951 9.836 303 2HE LYS 42 HE1 LYS 42 -8.098 -7.543 9.947 304 1HZ LYS 42 HZ1 LYS 42 -10.044 -8.346 12.038 305 2HZ LYS 42 HZ2 LYS 42 -8.893 -7.112 12.148 306 3HZ LYS 42 HZ3 LYS 42 -8.399 -8.726 12.064 307 H ASP 43 HN ASP 43 -12.944 -9.056 5.899 308 HA ASP 43 HA ASP 43 -15.724 -8.738 6.808 309 1HB ASP 43 HB2 ASP 43 -14.804 -6.916 5.360 310 2HB ASP 43 HB1 ASP 43 -14.586 -8.096 4.070 311 H PHE 44 HN PHE 44 -16.087 -10.916 7.153 312 HA PHE 44 HA PHE 44 -15.615 -12.930 5.199 313 1HB PHE 44 HB2 PHE 44 -17.101 -14.314 6.709 314 2HB PHE 44 HB1 PHE 44 -15.696 -13.599 7.488 315 HD1 PHE 44 HD1 PHE 44 -19.362 -13.253 7.050 316 HD2 PHE 44 HD2 PHE 44 -15.937 -12.118 9.309 317 HE1 PHE 44 HE1 PHE 44 -20.816 -12.222 8.737 318 HE2 PHE 44 HE2 PHE 44 -17.392 -11.086 11.002 319 HZ PHE 44 HZ PHE 44 -19.836 -11.135 10.717 320 H ASP 45 HN ASP 45 -17.916 -10.507 5.403 321 HA ASP 45 HA ASP 45 -20.242 -11.830 4.474 322 1HB ASP 45 HB2 ASP 45 -20.283 -9.632 5.602 323 2HB ASP 45 HB1 ASP 45 -19.460 -8.913 4.223 324 H TYR 46 HN TYR 46 -17.754 -9.908 2.794 325 HA TYR 46 HA TYR 46 -18.833 -10.060 0.220 326 1HB TYR 46 HB2 TYR 46 -17.022 -8.520 0.764 327 2HB TYR 46 HB1 TYR 46 -15.927 -9.863 1.067 328 HD1 TYR 46 HD1 TYR 46 -18.070 -8.451 -1.657 329 HD2 TYR 46 HD2 TYR 46 -14.499 -10.539 -0.643 330 HE1 TYR 46 HE1 TYR 46 -17.366 -8.390 -4.010 331 HE2 TYR 46 HE2 TYR 46 -13.789 -10.482 -2.994 332 HH TYR 46 HH TYR 46 -15.450 -8.590 -5.365 333 H ILE 47 HN ILE 47 -16.857 -12.321 2.017 334 HA ILE 47 HA ILE 47 -16.082 -14.109 0.034 335 HB ILE 47 HB ILE 47 -17.001 -14.811 2.837 336 1HG1 ILE 47 HG12 ILE 47 -15.236 -13.062 2.788 337 2HG1 ILE 47 HG11 ILE 47 -14.687 -14.562 3.523 338 1HG2 ILE 47 HG21 ILE 47 -16.829 -16.774 1.395 339 2HG2 ILE 47 HG22 ILE 47 -15.549 -16.774 2.612 340 3HG2 ILE 47 HG23 ILE 47 -15.184 -16.316 0.946 341 1HD1 ILE 47 HD11 ILE 47 -14.083 -13.639 0.724 342 2HD1 ILE 47 HD12 ILE 47 -13.531 -15.148 1.454 343 3HD1 ILE 47 HD13 ILE 47 -12.982 -13.602 2.101 344 H VAL 48 HN VAL 48 -19.020 -14.123 2.013 345 HA VAL 48 HA VAL 48 -20.237 -16.383 0.895 346 HB VAL 48 HB VAL 48 -21.691 -13.979 2.034 347 1HG1 VAL 48 HG11 VAL 48 -23.156 -15.605 0.983 348 2HG1 VAL 48 HG12 VAL 48 -23.358 -15.651 2.734 349 3HG1 VAL 48 HG13 VAL 48 -22.422 -16.907 1.921 350 1HG2 VAL 48 HG21 VAL 48 -21.499 -15.057 4.232 351 2HG2 VAL 48 HG22 VAL 48 -19.917 -14.636 3.576 352 3HG2 VAL 48 HG23 VAL 48 -20.474 -16.309 3.527 353 H GLU 49 HN GLU 49 -20.402 -12.967 0.024 354 HA GLU 49 HA GLU 49 -22.397 -13.364 -2.000 355 1HB GLU 49 HB2 GLU 49 -20.730 -10.980 -1.203 356 2HB GLU 49 HB1 GLU 49 -21.881 -10.933 -2.533 357 1HG GLU 49 HG2 GLU 49 -22.514 -11.526 0.357 358 2HG GLU 49 HG1 GLU 49 -22.875 -10.034 -0.511 359 H THR 50 HN THR 50 -19.117 -14.016 -1.993 360 HA THR 50 HA THR 50 -19.099 -13.884 -4.944 361 HB THR 50 HB THR 50 -16.570 -14.227 -4.699 362 HG1 THR 50 HG1 THR 50 -17.130 -13.266 -2.073 363 1HG2 THR 50 HG21 THR 50 -17.585 -12.120 -5.425 364 2HG2 THR 50 HG22 THR 50 -16.171 -11.831 -4.409 365 3HG2 THR 50 HG23 THR 50 -17.791 -11.634 -3.740 366 H THR 51 HN THR 51 -19.996 -15.905 -2.730 367 HA THR 51 HA THR 51 -18.634 -18.279 -3.729 368 HB THR 51 HB THR 51 -20.938 -18.091 -1.766 369 HG1 THR 51 HG1 THR 51 -18.725 -17.123 -1.258 370 1HG2 THR 51 HG21 THR 51 -20.652 -20.295 -2.896 371 2HG2 THR 51 HG22 THR 51 -20.338 -20.365 -1.160 372 3HG2 THR 51 HG23 THR 51 -18.992 -20.348 -2.300 373 H ASP 52 HN ASP 52 -19.777 -19.951 -4.824 374 HA ASP 52 HA ASP 52 -21.450 -19.253 -6.897 375 1HB ASP 52 HB2 ASP 52 -20.163 -21.419 -6.577 376 2HB ASP 52 HB1 ASP 52 -21.465 -21.949 -5.526 377 HA PRO 53 HA PRO 53 -25.385 -18.295 -5.102 378 1HB PRO 53 HB2 PRO 53 -26.962 -19.479 -7.119 379 2HB PRO 53 HB1 PRO 53 -26.400 -17.807 -7.074 380 1HG PRO 53 HG2 PRO 53 -25.265 -20.153 -8.524 381 2HG PRO 53 HG1 PRO 53 -25.330 -18.449 -9.014 382 1HD PRO 53 HD2 PRO 53 -23.053 -19.563 -8.148 383 2HD PRO 53 HD1 PRO 53 -23.466 -17.886 -7.731 384 H GLU 54 HN GLU 54 -24.688 -21.560 -6.227 385 HA GLU 54 HA GLU 54 -26.819 -22.752 -4.671 386 1HB GLU 54 HB2 GLU 54 -24.491 -24.109 -6.053 387 2HB GLU 54 HB1 GLU 54 -25.974 -24.874 -5.493 388 1HG GLU 54 HG2 GLU 54 -25.670 -22.908 -7.755 389 2HG GLU 54 HG1 GLU 54 -26.075 -24.619 -7.871 390 H ARG 55 HN ARG 55 -23.278 -22.566 -4.524 391 HA ARG 55 HA ARG 55 -23.010 -24.217 -2.217 392 1HB ARG 55 HB2 ARG 55 -21.067 -22.143 -3.252 393 2HB ARG 55 HB1 ARG 55 -20.697 -23.462 -2.152 394 1HG ARG 55 HG2 ARG 55 -21.532 -23.724 -5.032 395 2HG ARG 55 HG1 ARG 55 -19.909 -23.941 -4.388 396 1HD ARG 55 HD2 ARG 55 -20.833 -25.805 -2.966 397 2HD ARG 55 HD1 ARG 55 -22.336 -25.659 -3.883 398 HE ARG 55 HE ARG 55 -19.873 -26.063 -5.396 399 1HH1 ARG 55 HH11 ARG 55 -22.842 -27.426 -4.139 400 2HH1 ARG 55 HH12 ARG 55 -22.763 -28.838 -5.143 401 1HH2 ARG 55 HH21 ARG 55 -19.757 -27.914 -6.712 402 2HH2 ARG 55 HH22 ARG 55 -20.992 -29.133 -6.587 403 H ARG 56 HN ARG 56 -23.730 -20.883 -2.698 404 HA ARG 56 HA ARG 56 -22.798 -19.792 -0.289 405 1HB ARG 56 HB2 ARG 56 -23.523 -18.447 -2.236 406 2HB ARG 56 HB1 ARG 56 -25.189 -18.929 -1.940 407 1HG ARG 56 HG2 ARG 56 -25.226 -17.749 0.151 408 2HG ARG 56 HG1 ARG 56 -23.499 -17.408 0.038 409 1HD ARG 56 HD2 ARG 56 -24.810 -15.444 -0.557 410 2HD ARG 56 HD1 ARG 56 -23.899 -16.031 -1.948 411 HE ARG 56 HE ARG 56 -26.332 -17.231 -2.199 412 1HH1 ARG 56 HH11 ARG 56 -25.313 -13.901 -1.793 413 2HH1 ARG 56 HH12 ARG 56 -26.633 -13.261 -2.719 414 1HH2 ARG 56 HH21 ARG 56 -28.052 -16.397 -3.414 415 2HH2 ARG 56 HH22 ARG 56 -28.194 -14.683 -3.653 416 H ASP 57 HN ASP 57 -25.554 -21.743 -1.029 417 HA ASP 57 HA ASP 57 -27.154 -21.207 1.234 418 1HB ASP 57 HB2 ASP 57 -27.997 -22.412 -0.733 419 2HB ASP 57 HB1 ASP 57 -26.894 -23.745 -0.407 420 H LEU 58 HN LEU 58 -24.283 -23.070 0.765 421 HA LEU 58 HA LEU 58 -24.518 -24.559 3.246 422 1HB LEU 58 HB2 LEU 58 -22.166 -24.347 1.355 423 2HB LEU 58 HB1 LEU 58 -22.396 -25.552 2.608 424 HG LEU 58 HG LEU 58 -24.102 -25.268 0.124 425 1HD1 LEU 58 HD11 LEU 58 -22.006 -27.327 0.823 426 2HD1 LEU 58 HD12 LEU 58 -21.854 -26.062 -0.397 427 3HD1 LEU 58 HD13 LEU 58 -23.044 -27.347 -0.603 428 1HD2 LEU 58 HD21 LEU 58 -25.088 -27.399 0.811 429 2HD2 LEU 58 HD22 LEU 58 -25.365 -26.146 2.021 430 3HD2 LEU 58 HD23 LEU 58 -24.127 -27.374 2.291 431 H PHE 59 HN PHE 59 -23.502 -21.494 2.327 432 HA PHE 59 HA PHE 59 -21.370 -21.249 4.301 433 1HB PHE 59 HB2 PHE 59 -22.433 -19.506 2.100 434 2HB PHE 59 HB1 PHE 59 -21.498 -18.774 3.399 435 HD1 PHE 59 HD1 PHE 59 -21.087 -22.030 1.594 436 HD2 PHE 59 HD2 PHE 59 -19.445 -18.216 2.549 437 HE1 PHE 59 HE1 PHE 59 -18.994 -22.646 0.455 438 HE2 PHE 59 HE2 PHE 59 -17.359 -18.822 1.412 439 HZ PHE 59 HZ PHE 59 -17.123 -21.043 0.363 440 H ASP 60 HN ASP 60 -21.399 -19.224 5.665 441 HA ASP 60 HA ASP 60 -23.840 -17.959 6.335 442 1HB ASP 60 HB2 ASP 60 -24.334 -20.094 7.450 443 2HB ASP 60 HB1 ASP 60 -22.818 -19.993 8.341 444 H HIS 61 HN HIS 61 -23.540 -16.233 7.764 445 HA HIS 61 HA HIS 61 -21.065 -14.972 7.600 446 1HB HIS 61 HB2 HIS 61 -23.413 -14.448 9.434 447 2HB HIS 61 HB1 HIS 61 -22.013 -13.385 9.333 448 HD1 HIS 61 HD1 HIS 61 -25.279 -13.871 7.897 449 HD2 HIS 61 HD2 HIS 61 -21.640 -12.384 6.548 450 HE1 HIS 61 HE1 HIS 61 -25.822 -12.501 5.858 451 HE2 HIS 61 HE2 HIS 61 -23.626 -11.482 5.159 452 H ASP 62 HN ASP 62 -22.434 -16.862 10.274 453 HA ASP 62 HA ASP 62 -20.463 -16.227 12.205 454 1HB ASP 62 HB2 ASP 62 -22.718 -17.407 12.575 455 2HB ASP 62 HB1 ASP 62 -21.918 -18.874 12.056 456 H VAL 63 HN VAL 63 -20.826 -18.903 9.966 457 HA VAL 63 HA VAL 63 -18.625 -20.407 10.869 458 HB VAL 63 HB VAL 63 -19.767 -20.532 8.073 459 1HG1 VAL 63 HG11 VAL 63 -18.572 -22.612 9.898 460 2HG1 VAL 63 HG12 VAL 63 -17.791 -21.888 8.491 461 3HG1 VAL 63 HG13 VAL 63 -19.212 -22.913 8.282 462 1HG2 VAL 63 HG21 VAL 63 -21.648 -20.498 9.641 463 2HG2 VAL 63 HG22 VAL 63 -20.909 -21.801 10.572 464 3HG2 VAL 63 HG23 VAL 63 -21.457 -22.097 8.921 465 H ASN 64 HN ASN 64 -19.014 -18.155 8.157 466 HA ASN 64 HA ASN 64 -16.410 -18.360 7.124 467 1HB ASN 64 HB2 ASN 64 -18.422 -16.102 7.044 468 2HB ASN 64 HB1 ASN 64 -16.884 -16.035 6.193 469 1HD2 ASN 64 HD21 ASN 64 -17.772 -15.956 4.179 470 2HD2 ASN 64 HD22 ASN 64 -18.596 -17.289 3.453 471 H ARG 65 HN ARG 65 -17.768 -16.385 9.705 472 HA ARG 65 HA ARG 65 -15.535 -14.739 10.192 473 1HB ARG 65 HB2 ARG 65 -17.710 -14.235 11.165 474 2HB ARG 65 HB1 ARG 65 -17.678 -15.732 12.089 475 1HG ARG 65 HG2 ARG 65 -15.714 -14.891 13.333 476 2HG ARG 65 HG1 ARG 65 -15.832 -13.371 12.446 477 1HD ARG 65 HD2 ARG 65 -18.056 -12.988 13.370 478 2HD ARG 65 HD1 ARG 65 -17.981 -14.532 14.221 479 HE ARG 65 HE ARG 65 -15.804 -12.789 14.882 480 1HH1 ARG 65 HH11 ARG 65 -19.143 -13.560 15.598 481 2HH1 ARG 65 HH12 ARG 65 -19.093 -12.872 17.191 482 1HH2 ARG 65 HH21 ARG 65 -15.722 -11.904 16.989 483 2HH2 ARG 65 HH22 ARG 65 -17.142 -11.939 17.987 484 H ALA 66 HN ALA 66 -16.517 -17.839 11.616 485 HA ALA 66 HA ALA 66 -14.585 -18.167 13.540 486 1HB ALA 66 HB1 ALA 66 -15.731 -20.320 11.754 487 2HB ALA 66 HB2 ALA 66 -16.460 -19.706 13.238 488 3HB ALA 66 HB3 ALA 66 -14.931 -20.582 13.305 489 H TRP 67 HN TRP 67 -14.335 -18.849 10.080 490 HA TRP 67 HA TRP 67 -11.819 -20.107 10.139 491 1HB TRP 67 HB2 TRP 67 -13.505 -20.089 8.228 492 2HB TRP 67 HB1 TRP 67 -12.905 -18.486 7.823 493 HD1 TRP 67 HD1 TRP 67 -9.831 -19.958 8.764 494 HE1 TRP 67 HE1 TRP 67 -8.602 -21.093 6.817 495 HE3 TRP 67 HE3 TRP 67 -13.717 -20.325 5.461 496 HZ2 TRP 67 HZ2 TRP 67 -9.196 -22.023 4.218 497 HZ3 TRP 67 HZ3 TRP 67 -13.301 -21.352 3.265 498 HH2 TRP 67 HH2 TRP 67 -11.085 -22.183 2.657 499 H MET 68 HN MET 68 -12.688 -16.699 9.460 500 HA MET 68 HA MET 68 -10.008 -15.860 9.041 501 1HB MET 68 HB2 MET 68 -10.826 -13.650 8.917 502 2HB MET 68 HB1 MET 68 -12.133 -14.647 8.296 503 1HG MET 68 HG2 MET 68 -13.289 -14.481 10.438 504 2HG MET 68 HG1 MET 68 -11.970 -13.505 11.081 505 1HE MET 68 HE1 MET 68 -13.386 -11.493 11.807 506 2HE MET 68 HE2 MET 68 -14.835 -12.409 11.391 507 3HE MET 68 HE3 MET 68 -14.647 -10.751 10.821 508 H GLU 69 HN GLU 69 -11.854 -16.417 11.895 509 HA GLU 69 HA GLU 69 -10.298 -14.757 13.645 510 1HB GLU 69 HB2 GLU 69 -12.176 -17.053 14.263 511 2HB GLU 69 HB1 GLU 69 -11.489 -15.964 15.460 512 1HG GLU 69 HG2 GLU 69 -13.328 -15.157 13.211 513 2HG GLU 69 HG1 GLU 69 -13.806 -15.391 14.887 514 H GLU 70 HN GLU 70 -10.263 -18.167 12.713 515 HA GLU 70 HA GLU 70 -8.163 -18.785 14.625 516 1HB GLU 70 HB2 GLU 70 -8.341 -21.087 13.718 517 2HB GLU 70 HB1 GLU 70 -9.880 -20.450 14.285 518 1HG GLU 70 HG2 GLU 70 -10.531 -19.956 11.979 519 2HG GLU 70 HG1 GLU 70 -8.987 -20.584 11.407 520 H SER 71 HN SER 71 -8.426 -17.983 11.253 521 HA SER 71 HA SER 71 -5.657 -18.864 10.773 522 1HB SER 71 HB2 SER 71 -7.832 -18.184 8.775 523 2HB SER 71 HB1 SER 71 -6.218 -18.779 8.381 524 HG SER 71 HG SER 71 -7.906 -20.227 10.115 525 H ASP 72 HN ASP 72 -4.149 -17.364 10.843 526 HA ASP 72 HA ASP 72 -4.746 -14.553 10.286 527 1HB ASP 72 HB2 ASP 72 -3.351 -15.130 12.261 528 2HB ASP 72 HB1 ASP 72 -2.179 -15.887 11.200 529 H PHE 73 HN PHE 73 -4.856 -14.203 8.106 530 HA PHE 73 HA PHE 73 -3.435 -15.868 6.258 531 1HB PHE 73 HB2 PHE 73 -5.134 -13.401 5.816 532 2HB PHE 73 HB1 PHE 73 -4.496 -14.416 4.525 533 HD1 PHE 73 HD2 PHE 73 -5.358 -16.675 4.169 534 HD2 PHE 73 HD1 PHE 73 -6.973 -14.150 7.198 535 HE1 PHE 73 HE2 PHE 73 -7.306 -18.163 4.368 536 HE2 PHE 73 HE1 PHE 73 -8.920 -15.639 7.402 537 HZ PHE 73 HZ PHE 73 -9.090 -17.647 5.987 538 H LEU 74 HN LEU 74 -1.419 -15.633 5.606 539 HA LEU 74 HA LEU 74 0.025 -13.154 6.076 540 1HB LEU 74 HB2 LEU 74 0.826 -15.941 5.294 541 2HB LEU 74 HB1 LEU 74 1.938 -14.615 5.022 542 HG LEU 74 HG LEU 74 1.954 -14.111 7.429 543 1HD1 LEU 74 HD11 LEU 74 0.160 -16.520 7.701 544 2HD1 LEU 74 HD12 LEU 74 -0.284 -14.844 8.027 545 3HD1 LEU 74 HD13 LEU 74 0.922 -15.649 9.031 546 1HD2 LEU 74 HD21 LEU 74 3.636 -15.629 6.561 547 2HD2 LEU 74 HD22 LEU 74 2.545 -17.000 6.771 548 3HD2 LEU 74 HD23 LEU 74 3.151 -16.132 8.182 549 H GLU 75 HN GLU 75 -0.278 -15.361 3.273 550 HA GLU 75 HA GLU 75 -0.548 -13.152 1.433 551 1HB GLU 75 HB2 GLU 75 1.853 -13.078 1.714 552 2HB GLU 75 HB1 GLU 75 1.983 -14.818 1.509 553 1HG GLU 75 HG2 GLU 75 2.750 -13.784 -0.492 554 2HG GLU 75 HG1 GLU 75 1.200 -14.542 -0.841 555 H LEU 76 HN LEU 76 -1.167 -13.797 -0.638 556 HA LEU 76 HA LEU 76 -2.079 -16.576 -0.881 557 1HB LEU 76 HB2 LEU 76 -3.722 -14.740 -1.228 558 2HB LEU 76 HB1 LEU 76 -2.750 -14.147 -2.563 559 HG LEU 76 HG LEU 76 -3.147 -16.305 -3.755 560 1HD1 LEU 76 HD11 LEU 76 -5.042 -16.836 -1.466 561 2HD1 LEU 76 HD12 LEU 76 -3.572 -17.736 -1.843 562 3HD1 LEU 76 HD13 LEU 76 -4.941 -17.778 -2.954 563 1HD2 LEU 76 HD21 LEU 76 -5.470 -15.823 -4.372 564 2HD2 LEU 76 HD22 LEU 76 -4.513 -14.347 -4.254 565 3HD2 LEU 76 HD23 LEU 76 -5.631 -14.778 -2.959 566 H ARG 77 HN ARG 77 -1.213 -17.928 -2.371 567 HA ARG 77 HA ARG 77 0.928 -16.865 -4.083 568 1HB ARG 77 HB2 ARG 77 1.716 -18.423 -2.319 569 2HB ARG 77 HB1 ARG 77 0.636 -19.661 -2.949 570 1HG ARG 77 HG2 ARG 77 1.851 -19.680 -5.058 571 2HG ARG 77 HG1 ARG 77 2.908 -18.396 -4.473 572 1HD ARG 77 HD2 ARG 77 3.659 -19.919 -2.652 573 2HD ARG 77 HD1 ARG 77 2.688 -21.203 -3.381 574 HE ARG 77 HE ARG 77 4.486 -20.007 -5.253 575 1HH1 ARG 77 HH11 ARG 77 4.305 -22.376 -2.668 576 2HH1 ARG 77 HH12 ARG 77 5.661 -23.283 -3.255 577 1HH2 ARG 77 HH21 ARG 77 6.273 -21.194 -5.995 578 2HH2 ARG 77 HH22 ARG 77 6.789 -22.605 -5.126 579 H VAL 78 HN VAL 78 0.033 -16.575 -6.002 580 HA VAL 78 HA VAL 78 -2.065 -18.328 -6.993 581 HB VAL 78 HB VAL 78 -0.796 -15.861 -8.188 582 1HG1 VAL 78 HG11 VAL 78 -1.749 -17.278 -9.937 583 2HG1 VAL 78 HG12 VAL 78 -2.734 -15.832 -9.721 584 3HG1 VAL 78 HG13 VAL 78 -3.274 -17.374 -9.053 585 1HG2 VAL 78 HG21 VAL 78 -1.976 -15.356 -6.134 586 2HG2 VAL 78 HG22 VAL 78 -3.407 -16.205 -6.718 587 3HG2 VAL 78 HG23 VAL 78 -2.874 -14.725 -7.515 588 H LEU 79 HN LEU 79 -1.583 -20.096 -8.145 589 HA LEU 79 HA LEU 79 1.093 -20.406 -9.256 590 1HB LEU 79 HB2 LEU 79 -1.185 -22.389 -9.104 591 2HB LEU 79 HB1 LEU 79 0.468 -22.753 -9.568 592 HG LEU 79 HG LEU 79 -0.461 -21.857 -6.831 593 1HD1 LEU 79 HD11 LEU 79 0.618 -24.513 -7.776 594 2HD1 LEU 79 HD12 LEU 79 -1.053 -24.165 -7.331 595 3HD1 LEU 79 HD13 LEU 79 0.216 -24.090 -6.110 596 1HD2 LEU 79 HD21 LEU 79 1.747 -20.951 -7.308 597 2HD2 LEU 79 HD22 LEU 79 2.321 -22.549 -7.785 598 3HD2 LEU 79 HD23 LEU 79 1.853 -22.242 -6.111 599 H GLY 80 HN GLY 80 -2.261 -20.887 -10.418 600 1HA GLY 80 HA2 GLY 80 -1.808 -19.540 -12.876 601 2HA GLY 80 HA1 GLY 80 -1.674 -21.277 -13.113 602 H SER 81 HN SER 81 -3.631 -19.685 -14.363 603 HA SER 81 HA SER 81 -6.076 -20.840 -13.235 604 1HB SER 81 HB2 SER 81 -7.272 -18.676 -13.528 605 2HB SER 81 HB1 SER 81 -5.997 -18.578 -12.314 606 HG SER 81 HG SER 81 -4.757 -17.415 -13.677 607 H SER 82 HN SER 82 -7.855 -20.889 -14.752 608 HA SER 82 HA SER 82 -7.324 -20.171 -17.521 609 1HB SER 82 HB2 SER 82 -8.025 -23.015 -16.717 610 2HB SER 82 HB1 SER 82 -7.908 -22.411 -18.371 611 HG SER 82 HG SER 82 -5.649 -21.784 -17.121 612 H GLU 83 HN GLU 83 -9.083 -19.182 -18.265 613 HA GLU 83 HA GLU 83 -11.655 -19.527 -16.956 614 1HB GLU 83 HB2 GLU 83 -11.026 -17.259 -17.552 615 2HB GLU 83 HB1 GLU 83 -10.773 -17.726 -19.230 616 1HG GLU 83 HG2 GLU 83 -13.155 -18.203 -19.473 617 2HG GLU 83 HG1 GLU 83 -13.421 -17.780 -17.786 618 H LYS 84 HN LYS 84 -13.098 -20.958 -17.611 619 HA LYS 84 HA LYS 84 -12.883 -22.092 -20.326 620 1HB LYS 84 HB2 LYS 84 -14.226 -23.372 -17.930 621 2HB LYS 84 HB1 LYS 84 -13.805 -24.133 -19.458 622 1HG LYS 84 HG2 LYS 84 -11.838 -23.122 -17.405 623 2HG LYS 84 HG1 LYS 84 -12.304 -24.807 -17.642 624 1HD LYS 84 HD2 LYS 84 -11.006 -23.078 -19.754 625 2HD LYS 84 HD1 LYS 84 -10.129 -24.191 -18.705 626 1HE LYS 84 HE2 LYS 84 -11.432 -26.063 -19.610 627 2HE LYS 84 HE1 LYS 84 -12.310 -24.947 -20.656 628 1HZ LYS 84 HZ1 LYS 84 -9.387 -25.459 -20.748 629 2HZ LYS 84 HZ2 LYS 84 -10.233 -24.401 -21.755 630 3HZ LYS 84 HZ3 LYS 84 -10.527 -26.062 -21.840 631 H GLY 85 HN GLY 85 -14.103 -19.781 -20.370 632 1HA GLY 85 HA2 GLY 85 -16.022 -18.740 -21.060 633 2HA GLY 85 HA1 GLY 85 -16.722 -20.337 -21.268 634 H SER 86 HN SER 86 -18.217 -21.034 -19.841 635 HA SER 86 HA SER 86 -19.190 -19.109 -17.897 636 1HB SER 86 HB2 SER 86 -20.336 -21.811 -18.641 637 2HB SER 86 HB1 SER 86 -21.165 -20.502 -17.796 638 HG SER 86 HG SER 86 -20.380 -19.358 -19.935 639 H ARG 87 HN ARG 87 -16.931 -21.476 -17.817 640 HA ARG 87 HA ARG 87 -17.231 -21.790 -14.906 641 1HB ARG 87 HB2 ARG 87 -17.864 -23.891 -16.338 642 2HB ARG 87 HB1 ARG 87 -16.135 -24.024 -16.620 643 1HG ARG 87 HG2 ARG 87 -16.713 -25.475 -14.813 644 2HG ARG 87 HG1 ARG 87 -15.800 -24.119 -14.146 645 1HD ARG 87 HD2 ARG 87 -17.817 -23.079 -13.346 646 2HD ARG 87 HD1 ARG 87 -18.819 -24.271 -14.172 647 HE ARG 87 HE ARG 87 -17.243 -24.695 -11.731 648 1HH1 ARG 87 HH11 ARG 87 -19.487 -25.943 -14.117 649 2HH1 ARG 87 HH12 ARG 87 -20.017 -27.253 -13.115 650 1HH2 ARG 87 HH21 ARG 87 -17.959 -26.416 -10.399 651 2HH2 ARG 87 HH22 ARG 87 -19.144 -27.529 -11.006 652 H GLY 88 HN GLY 88 -15.054 -22.401 -13.924 653 1HA GLY 88 HA2 GLY 88 -12.719 -21.855 -15.552 654 2HA GLY 88 HA1 GLY 88 -13.090 -20.611 -14.364 655 H THR 89 HN THR 89 -10.716 -21.992 -14.298 656 HA THR 89 HA THR 89 -10.947 -23.247 -11.673 657 HB THR 89 HB THR 89 -9.420 -24.573 -13.936 658 HG1 THR 89 HG1 THR 89 -12.034 -24.812 -13.079 659 1HG2 THR 89 HG21 THR 89 -8.431 -24.933 -11.712 660 2HG2 THR 89 HG22 THR 89 -9.134 -26.420 -12.347 661 3HG2 THR 89 HG23 THR 89 -9.990 -25.499 -11.110 662 H VAL 90 HN VAL 90 -9.254 -22.773 -10.368 663 HA VAL 90 HA VAL 90 -6.755 -21.800 -11.519 664 HB VAL 90 HB VAL 90 -8.018 -19.744 -11.118 665 1HG1 VAL 90 HG11 VAL 90 -8.252 -20.676 -8.255 666 2HG1 VAL 90 HG12 VAL 90 -9.569 -20.551 -9.421 667 3HG1 VAL 90 HG13 VAL 90 -8.742 -19.095 -8.868 668 1HG2 VAL 90 HG21 VAL 90 -5.606 -19.689 -10.744 669 2HG2 VAL 90 HG22 VAL 90 -5.840 -20.154 -9.060 670 3HG2 VAL 90 HG23 VAL 90 -6.431 -18.594 -9.634 671 H GLU 91 HN GLU 91 -5.028 -22.472 -10.408 672 HA GLU 91 HA GLU 91 -5.508 -23.919 -7.888 673 1HB GLU 91 HB2 GLU 91 -4.543 -25.157 -9.888 674 2HB GLU 91 HB1 GLU 91 -3.106 -24.156 -9.717 675 1HG GLU 91 HG2 GLU 91 -2.753 -25.036 -7.465 676 2HG GLU 91 HG1 GLU 91 -4.203 -26.027 -7.623 677 H PHE 92 HN PHE 92 -4.513 -23.238 -6.057 678 HA PHE 92 HA PHE 92 -2.329 -21.336 -6.184 679 1HB PHE 92 HB2 PHE 92 -3.503 -19.609 -4.872 680 2HB PHE 92 HB1 PHE 92 -4.245 -19.855 -6.447 681 HD1 PHE 92 HD2 PHE 92 -6.441 -20.923 -6.639 682 HD2 PHE 92 HD1 PHE 92 -4.679 -20.153 -2.834 683 HE1 PHE 92 HE2 PHE 92 -8.626 -21.251 -5.562 684 HE2 PHE 92 HE1 PHE 92 -6.865 -20.480 -1.755 685 HZ PHE 92 HZ PHE 92 -8.842 -21.029 -3.118 686 H ILE 93 HN ILE 93 -1.843 -20.547 -3.883 687 HA ILE 93 HA ILE 93 -2.293 -22.667 -1.896 688 HB ILE 93 HB ILE 93 0.366 -21.361 -2.552 689 1HG1 ILE 93 HG12 ILE 93 -0.452 -24.273 -2.674 690 2HG1 ILE 93 HG11 ILE 93 -0.325 -23.219 -4.072 691 1HG2 ILE 93 HG21 ILE 93 0.116 -21.597 -0.147 692 2HG2 ILE 93 HG22 ILE 93 1.301 -22.753 -0.754 693 3HG2 ILE 93 HG23 ILE 93 -0.325 -23.295 -0.339 694 1HD1 ILE 93 HD11 ILE 93 1.623 -24.630 -3.878 695 2HD1 ILE 93 HD12 ILE 93 1.923 -24.034 -2.246 696 3HD1 ILE 93 HD13 ILE 93 2.071 -22.943 -3.624 697 H ALA 94 HN ALA 94 -3.317 -21.718 -0.247 698 HA ALA 94 HA ALA 94 -2.965 -18.872 0.293 699 1HB ALA 94 HB1 ALA 94 -5.234 -19.808 0.315 700 2HB ALA 94 HB2 ALA 94 -4.797 -19.165 1.899 701 3HB ALA 94 HB3 ALA 94 -4.775 -20.907 1.617 702 H ARG 95 HN ARG 95 -1.265 -18.297 1.515 703 HA ARG 95 HA ARG 95 -0.230 -20.171 3.516 704 1HB ARG 95 HB2 ARG 95 1.389 -19.180 1.952 705 2HB ARG 95 HB1 ARG 95 0.924 -17.566 2.479 706 1HG ARG 95 HG2 ARG 95 1.752 -18.059 4.731 707 2HG ARG 95 HG1 ARG 95 2.209 -19.682 4.210 708 1HD ARG 95 HD2 ARG 95 3.791 -18.732 2.609 709 2HD ARG 95 HD1 ARG 95 3.312 -17.101 3.087 710 HE ARG 95 HE ARG 95 4.108 -18.331 5.415 711 1HH1 ARG 95 HH11 ARG 95 5.604 -17.657 2.325 712 2HH1 ARG 95 HH12 ARG 95 7.198 -17.510 2.983 713 1HH2 ARG 95 HH21 ARG 95 6.178 -18.129 6.296 714 2HH2 ARG 95 HH22 ARG 95 7.525 -17.758 5.266 715 H PHE 96 HN PHE 96 -0.888 -19.992 5.533 716 HA PHE 96 HA PHE 96 -1.436 -17.357 6.672 717 1HB PHE 96 HB2 PHE 96 -3.508 -18.426 7.791 718 2HB PHE 96 HB1 PHE 96 -3.639 -17.928 6.109 719 HD1 PHE 96 HD1 PHE 96 -2.685 -20.960 8.093 720 HD2 PHE 96 HD2 PHE 96 -4.640 -19.395 4.645 721 HE1 PHE 96 HE1 PHE 96 -3.401 -23.227 7.472 722 HE2 PHE 96 HE2 PHE 96 -5.364 -21.662 4.023 723 HZ PHE 96 HZ PHE 96 -4.746 -23.582 5.439 724 H ARG 97 HN ARG 97 -1.904 -17.622 9.082 725 HA ARG 97 HA ARG 97 -0.028 -19.572 10.249 726 1HB ARG 97 HB2 ARG 97 0.834 -17.246 10.251 727 2HB ARG 97 HB1 ARG 97 -0.599 -16.719 11.105 728 1HG ARG 97 HG2 ARG 97 0.027 -18.006 13.049 729 2HG ARG 97 HG1 ARG 97 1.417 -18.676 12.191 730 1HD ARG 97 HD2 ARG 97 1.955 -16.781 13.752 731 2HD ARG 97 HD1 ARG 97 2.484 -16.543 12.087 732 HE ARG 97 HE ARG 97 0.316 -15.203 11.875 733 1HH1 ARG 97 HH11 ARG 97 2.196 -15.386 14.834 734 2HH1 ARG 97 HH12 ARG 97 1.661 -13.838 15.405 735 1HH2 ARG 97 HH21 ARG 97 -0.352 -13.173 12.609 736 2HH2 ARG 97 HH22 ARG 97 0.209 -12.579 14.144 737 H ARG 98 HN ARG 98 -0.987 -20.926 11.661 738 HA ARG 98 HA ARG 98 -3.763 -20.446 12.370 739 1HB ARG 98 HB2 ARG 98 -1.961 -22.840 12.765 740 2HB ARG 98 HB1 ARG 98 -3.626 -22.771 13.330 741 1HG ARG 98 HG2 ARG 98 -4.326 -22.338 10.977 742 2HG ARG 98 HG1 ARG 98 -2.659 -22.645 10.485 743 1HD ARG 98 HD2 ARG 98 -4.485 -24.582 11.913 744 2HD ARG 98 HD1 ARG 98 -4.047 -24.637 10.207 745 HE ARG 98 HE ARG 98 -1.748 -24.709 11.901 746 1HH1 ARG 98 HH11 ARG 98 -4.350 -26.681 10.640 747 2HH1 ARG 98 HH12 ARG 98 -3.452 -28.162 10.749 748 1HH2 ARG 98 HH21 ARG 98 -0.570 -26.675 12.070 749 2HH2 ARG 98 HH22 ARG 98 -1.314 -28.160 11.565 750 H GLY 99 HN GLY 99 -4.540 -20.012 14.326 751 1HA GLY 99 HA2 GLY 99 -4.642 -19.566 16.564 752 2HA GLY 99 HA1 GLY 99 -3.213 -20.570 16.761 753 H GLY 100 HN GLY 100 -1.171 -19.622 16.729 754 1HA GLY 100 HA2 GLY 100 -0.747 -16.844 16.224 755 2HA GLY 100 HA1 GLY 100 -0.864 -17.167 17.950 756 H GLY 101 HN GLY 101 0.561 -19.089 15.323 757 1HA GLY 101 HA2 GLY 101 3.250 -18.453 15.938 758 2HA GLY 101 HA1 GLY 101 2.789 -19.927 16.776 759 HA PRO 102 HA PRO 102 3.692 -22.355 13.295 760 1HB PRO 102 HB2 PRO 102 1.669 -24.165 13.128 761 2HB PRO 102 HB1 PRO 102 2.866 -24.181 14.430 762 1HG PRO 102 HG2 PRO 102 0.088 -23.042 14.432 763 2HG PRO 102 HG1 PRO 102 0.886 -24.039 15.664 764 1HD PRO 102 HD2 PRO 102 0.687 -21.357 15.905 765 2HD PRO 102 HD1 PRO 102 2.099 -22.252 16.506 766 H GLU 103 HN GLU 103 3.637 -22.066 11.172 767 HA GLU 103 HA GLU 103 1.372 -20.763 9.901 768 1HB GLU 103 HB2 GLU 103 4.115 -21.567 8.919 769 2HB GLU 103 HB1 GLU 103 2.893 -20.879 7.861 770 1HG GLU 103 HG2 GLU 103 2.895 -18.820 9.104 771 2HG GLU 103 HG1 GLU 103 3.991 -19.500 10.306 772 H GLN 104 HN GLN 104 0.700 -21.568 7.733 773 HA GLN 104 HA GLN 104 1.224 -24.276 6.970 774 1HB GLN 104 HB2 GLN 104 -0.594 -24.671 8.606 775 2HB GLN 104 HB1 GLN 104 -1.613 -23.521 7.747 776 1HG GLN 104 HG2 GLN 104 -1.358 -25.021 5.713 777 2HG GLN 104 HG1 GLN 104 -0.649 -26.212 6.799 778 1HE2 GLN 104 HE21 GLN 104 -2.422 -25.478 9.011 779 2HE2 GLN 104 HE22 GLN 104 -3.970 -26.138 8.615 780 H SER 105 HN SER 105 0.650 -24.613 4.786 781 HA SER 105 HA SER 105 -0.556 -22.306 3.417 782 1HB SER 105 HB2 SER 105 1.029 -22.846 1.492 783 2HB SER 105 HB1 SER 105 1.772 -22.128 2.917 784 HG SER 105 HG SER 105 3.057 -23.785 2.746 785 H HIS 106 HN HIS 106 -2.425 -22.933 2.617 786 HA HIS 106 HA HIS 106 -2.939 -25.759 2.142 787 1HB HIS 106 HB2 HIS 106 -4.531 -24.309 3.440 788 2HB HIS 106 HB1 HIS 106 -4.866 -23.428 1.955 789 HD1 HIS 106 HD1 HIS 106 -5.446 -26.750 3.613 790 HD2 HIS 106 HD2 HIS 106 -6.576 -24.716 0.170 791 HE1 HIS 106 HE1 HIS 106 -7.335 -28.082 2.632 792 HE2 HIS 106 HE2 HIS 106 -8.138 -26.711 0.682 793 H HIS 107 HN HIS 107 -2.353 -26.508 0.244 794 HA HIS 107 HA HIS 107 -2.428 -24.825 -2.151 795 1HB HIS 107 HB2 HIS 107 -0.364 -26.058 -1.697 796 2HB HIS 107 HB1 HIS 107 -1.250 -27.571 -1.637 797 HD1 HIS 107 HD1 HIS 107 0.513 -28.307 -3.494 798 HD2 HIS 107 HD2 HIS 107 -2.243 -25.418 -4.663 799 HE1 HIS 107 HE1 HIS 107 0.612 -28.255 -6.006 800 HE2 HIS 107 HE2 HIS 107 -1.053 -26.499 -6.696 801 H GLU 108 HN GLU 108 -4.475 -24.771 -2.959 802 HA GLU 108 HA GLU 108 -5.786 -27.367 -3.438 803 1HB GLU 108 HB2 GLU 108 -7.956 -26.361 -3.008 804 2HB GLU 108 HB1 GLU 108 -6.920 -26.202 -1.598 805 1HG GLU 108 HG2 GLU 108 -6.537 -23.882 -2.055 806 2HG GLU 108 HG1 GLU 108 -7.362 -24.002 -3.609 807 H ARG 109 HN ARG 109 -7.209 -27.461 -5.200 808 HA ARG 109 HA ARG 109 -6.764 -25.436 -7.298 809 1HB ARG 109 HB2 ARG 109 -5.920 -27.623 -7.945 810 2HB ARG 109 HB1 ARG 109 -7.435 -28.388 -7.489 811 1HG ARG 109 HG2 ARG 109 -8.586 -27.291 -9.311 812 2HG ARG 109 HG1 ARG 109 -7.126 -26.391 -9.730 813 1HD ARG 109 HD2 ARG 109 -7.558 -28.377 -11.184 814 2HD ARG 109 HD1 ARG 109 -5.990 -28.399 -10.376 815 HE ARG 109 HE ARG 109 -7.228 -29.892 -8.686 816 1HH1 ARG 109 HH11 ARG 109 -7.927 -29.834 -12.116 817 2HH1 ARG 109 HH12 ARG 109 -8.422 -31.496 -12.167 818 1HH2 ARG 109 HH21 ARG 109 -7.861 -32.095 -8.760 819 2HH2 ARG 109 HH22 ARG 109 -8.352 -32.783 -10.274 820 H SER 110 HN SER 110 -8.440 -24.063 -7.242 821 HA SER 110 HA SER 110 -11.063 -25.057 -6.376 822 1HB SER 110 HB2 SER 110 -10.095 -23.207 -5.071 823 2HB SER 110 HB1 SER 110 -10.002 -22.220 -6.528 824 HG SER 110 HG SER 110 -12.461 -23.325 -5.705 825 H GLN 111 HN GLN 111 -12.810 -24.994 -7.641 826 HA GLN 111 HA GLN 111 -12.567 -23.917 -10.356 827 1HB GLN 111 HB2 GLN 111 -14.640 -25.770 -9.154 828 2HB GLN 111 HB1 GLN 111 -14.667 -25.180 -10.806 829 1HG GLN 111 HG2 GLN 111 -13.822 -27.371 -10.891 830 2HG GLN 111 HG1 GLN 111 -12.446 -26.303 -11.144 831 1HE2 GLN 111 HE21 GLN 111 -10.818 -26.240 -9.624 832 2HE2 GLN 111 HE22 GLN 111 -10.699 -27.374 -8.323 833 H PHE 112 HN PHE 112 -13.863 -22.325 -11.084 834 HA PHE 112 HA PHE 112 -15.815 -21.128 -9.217 835 1HB PHE 112 HB2 PHE 112 -13.821 -19.729 -11.029 836 2HB PHE 112 HB1 PHE 112 -15.173 -18.908 -10.259 837 HD1 PHE 112 HD1 PHE 112 -12.093 -20.861 -9.530 838 HD2 PHE 112 HD2 PHE 112 -14.981 -18.090 -8.070 839 HE1 PHE 112 HE1 PHE 112 -10.723 -20.489 -7.522 840 HE2 PHE 112 HE2 PHE 112 -13.610 -17.717 -6.062 841 HZ PHE 112 HZ PHE 112 -11.479 -18.917 -5.786 842 H ARG 113 HN ARG 113 -17.747 -20.476 -10.141 843 HA ARG 113 HA ARG 113 -18.083 -21.102 -13.000 844 1HB ARG 113 HB2 ARG 113 -19.483 -22.506 -11.620 845 2HB ARG 113 HB1 ARG 113 -20.110 -21.112 -10.753 846 1HG ARG 113 HG2 ARG 113 -21.437 -20.431 -12.539 847 2HG ARG 113 HG1 ARG 113 -20.496 -21.348 -13.716 848 1HD ARG 113 HD2 ARG 113 -22.712 -22.341 -13.272 849 2HD ARG 113 HD1 ARG 113 -21.383 -23.428 -12.877 850 HE ARG 113 HE ARG 113 -22.032 -22.111 -10.528 851 1HH1 ARG 113 HH11 ARG 113 -23.617 -24.280 -12.790 852 2HH1 ARG 113 HH12 ARG 113 -24.674 -24.952 -11.586 853 1HH2 ARG 113 HH21 ARG 113 -23.406 -23.031 -8.948 854 2HH2 ARG 113 HH22 ARG 113 -24.541 -24.264 -9.415 855 H LYS 114 HN LYS 114 -18.895 -19.628 -14.365 856 HA LYS 114 HA LYS 114 -18.926 -16.859 -13.461 857 1HB LYS 114 HB2 LYS 114 -17.789 -17.905 -15.600 858 2HB LYS 114 HB1 LYS 114 -19.392 -17.724 -16.300 859 1HG LYS 114 HG2 LYS 114 -19.339 -15.353 -15.971 860 2HG LYS 114 HG1 LYS 114 -17.848 -15.468 -15.031 861 1HD LYS 114 HD2 LYS 114 -16.788 -16.484 -17.119 862 2HD LYS 114 HD1 LYS 114 -18.230 -15.950 -17.984 863 1HE LYS 114 HE2 LYS 114 -17.786 -13.648 -17.305 864 2HE LYS 114 HE1 LYS 114 -16.362 -14.174 -16.415 865 1HZ LYS 114 HZ1 LYS 114 -15.304 -14.835 -18.429 866 2HZ LYS 114 HZ2 LYS 114 -15.873 -13.258 -18.651 867 3HZ LYS 114 HZ3 LYS 114 -16.702 -14.558 -19.337 868 H ALA 115 HN ALA 115 -20.828 -16.290 -12.564 869 HA ALA 115 HA ALA 115 -23.327 -17.098 -13.910 870 1HB ALA 115 HB1 ALA 115 -23.081 -18.014 -11.636 871 2HB ALA 115 HB2 ALA 115 -24.440 -16.897 -11.755 872 3HB ALA 115 HB3 ALA 115 -22.934 -16.375 -11.000 873 H ARG 116 HN ARG 116 -24.332 -15.539 -14.926 874 HA ARG 116 HA ARG 116 -25.093 -13.517 -15.602 875 1HB ARG 116 HB2 ARG 116 -25.707 -13.584 -12.996 876 2HB ARG 116 HB1 ARG 116 -24.563 -12.250 -12.942 877 1HG ARG 116 HG2 ARG 116 -26.751 -11.330 -13.174 878 2HG ARG 116 HG1 ARG 116 -25.917 -11.114 -14.716 879 1HD ARG 116 HD2 ARG 116 -27.041 -13.153 -15.565 880 2HD ARG 116 HD1 ARG 116 -27.925 -13.270 -14.045 881 HE ARG 116 HE ARG 116 -28.189 -10.835 -15.664 882 1HH1 ARG 116 HH11 ARG 116 -29.616 -13.717 -14.275 883 2HH1 ARG 116 HH12 ARG 116 -31.224 -13.324 -14.799 884 1HH2 ARG 116 HH21 ARG 116 -30.314 -10.321 -16.360 885 2HH2 ARG 116 HH22 ARG 116 -31.618 -11.404 -15.979 886 H GLY 117 HN GLY 117 -22.190 -14.191 -15.592 887 1HA GLY 117 HA2 GLY 117 -20.473 -13.042 -16.711 888 2HA GLY 117 HA1 GLY 117 -21.215 -11.515 -16.263 889 H ARG 118 HN ARG 118 -21.337 -12.899 -13.412 890 HA ARG 118 HA ARG 118 -18.677 -11.909 -12.637 891 1HB ARG 118 HB2 ARG 118 -21.112 -12.483 -10.915 892 2HB ARG 118 HB1 ARG 118 -19.563 -11.924 -10.308 893 1HG ARG 118 HG2 ARG 118 -20.971 -10.036 -10.396 894 2HG ARG 118 HG1 ARG 118 -19.846 -9.877 -11.743 895 1HD ARG 118 HD2 ARG 118 -21.576 -10.765 -13.260 896 2HD ARG 118 HD1 ARG 118 -22.698 -10.860 -11.902 897 HE ARG 118 HE ARG 118 -21.581 -8.360 -13.011 898 1HH1 ARG 118 HH11 ARG 118 -24.072 -10.087 -11.253 899 2HH1 ARG 118 HH12 ARG 118 -25.138 -8.722 -11.171 900 1HH2 ARG 118 HH21 ARG 118 -22.990 -6.567 -12.927 901 2HH2 ARG 118 HH22 ARG 118 -24.531 -6.721 -12.141 902 H TRP 119 HN TRP 119 -17.308 -13.156 -11.321 903 HA TRP 119 HA TRP 119 -17.657 -16.023 -11.653 904 1HB TRP 119 HB2 TRP 119 -15.334 -14.306 -10.769 905 2HB TRP 119 HB1 TRP 119 -15.294 -16.067 -10.678 906 HD1 TRP 119 HD1 TRP 119 -14.990 -13.210 -13.155 907 HE1 TRP 119 HE1 TRP 119 -14.418 -14.177 -15.475 908 HE3 TRP 119 HE3 TRP 119 -15.710 -18.158 -12.158 909 HZ2 TRP 119 HZ2 TRP 119 -14.312 -16.701 -16.709 910 HZ3 TRP 119 HZ3 TRP 119 -15.364 -19.790 -13.964 911 HH2 TRP 119 HH2 TRP 119 -14.679 -19.075 -16.197 912 H TYR 120 HN TYR 120 -17.987 -17.453 -10.059 913 HA TYR 120 HA TYR 120 -18.022 -16.513 -7.276 914 1HB TYR 120 HB2 TYR 120 -20.223 -18.066 -8.668 915 2HB TYR 120 HB1 TYR 120 -20.125 -17.838 -6.926 916 HD1 TYR 120 HD1 TYR 120 -20.493 -15.604 -5.938 917 HD2 TYR 120 HD2 TYR 120 -20.964 -16.275 -10.118 918 HE1 TYR 120 HE1 TYR 120 -21.720 -13.484 -6.136 919 HE2 TYR 120 HE2 TYR 120 -22.190 -14.155 -10.322 920 HH TYR 120 HH TYR 120 -23.423 -12.598 -9.000 921 H PHE 121 HN PHE 121 -17.394 -18.005 -5.780 922 HA PHE 121 HA PHE 121 -15.751 -20.146 -6.638 923 1HB PHE 121 HB2 PHE 121 -15.128 -19.087 -4.630 924 2HB PHE 121 HB1 PHE 121 -16.743 -19.222 -3.943 925 HD1 PHE 121 HD1 PHE 121 -13.748 -21.189 -4.913 926 HD2 PHE 121 HD2 PHE 121 -17.334 -21.071 -2.616 927 HE1 PHE 121 HE1 PHE 121 -13.087 -23.261 -3.773 928 HE2 PHE 121 HE2 PHE 121 -16.677 -23.144 -1.474 929 HZ PHE 121 HZ PHE 121 -14.546 -24.242 -2.047 930 H SER 122 HN SER 122 -16.424 -22.051 -7.373 931 HA SER 122 HA SER 122 -19.083 -23.027 -6.668 932 1HB SER 122 HB2 SER 122 -17.086 -24.094 -8.685 933 2HB SER 122 HB1 SER 122 -18.759 -24.625 -8.499 934 HG SER 122 HG SER 122 -19.362 -22.410 -8.970 935 H GLU 123 HN GLU 123 -15.761 -24.374 -6.812 936 HA GLU 123 HA GLU 123 -16.100 -25.583 -4.242 937 1HB GLU 123 HB2 GLU 123 -15.687 -27.930 -5.000 938 2HB GLU 123 HB1 GLU 123 -17.273 -27.306 -5.414 939 1HG GLU 123 HG2 GLU 123 -15.061 -27.167 -7.420 940 2HG GLU 123 HG1 GLU 123 -15.896 -28.694 -7.140 941 H GLY 124 HN GLY 124 -14.140 -27.079 -3.788 942 1HA GLY 124 HA2 GLY 124 -11.721 -26.603 -5.209 943 2HA GLY 124 HA1 GLY 124 -11.854 -25.524 -3.822 944 H GLU 125 HN GLU 125 -9.925 -27.660 -4.242 945 HA GLU 125 HA GLU 125 -10.238 -29.042 -1.731 946 1HB GLU 125 HB2 GLU 125 -10.094 -31.311 -2.702 947 2HB GLU 125 HB1 GLU 125 -11.577 -30.489 -3.168 948 1HG GLU 125 HG2 GLU 125 -10.551 -29.921 -5.341 949 2HG GLU 125 HG1 GLU 125 -9.114 -30.831 -4.874 950 H ALA 126 HN ALA 126 -8.306 -30.033 -1.025 951 HA ALA 126 HA ALA 126 -5.900 -28.868 -1.828 952 1HB ALA 126 HB1 ALA 126 -4.805 -30.547 -0.422 953 2HB ALA 126 HB2 ALA 126 -6.303 -31.477 -0.356 954 3HB ALA 126 HB3 ALA 126 -6.226 -29.875 0.378 955 H VAL 127 HN VAL 127 -4.647 -29.211 -3.534 956 HA VAL 127 HA VAL 127 -5.103 -31.623 -5.164 957 HB VAL 127 HB VAL 127 -5.548 -29.529 -6.346 958 1HG1 VAL 127 HG11 VAL 127 -4.117 -28.029 -5.079 959 2HG1 VAL 127 HG12 VAL 127 -3.759 -27.909 -6.801 960 3HG1 VAL 127 HG13 VAL 127 -2.678 -28.810 -5.738 961 1HG2 VAL 127 HG21 VAL 127 -4.057 -29.844 -8.284 962 2HG2 VAL 127 HG22 VAL 127 -4.670 -31.375 -7.661 963 3HG2 VAL 127 HG23 VAL 127 -3.016 -30.877 -7.305 964 H ASP 128 HN ASP 128 -3.457 -32.992 -5.633 965 HA ASP 128 HA ASP 128 -0.840 -32.410 -4.390 966 1HB ASP 128 HB2 ASP 128 -2.206 -35.080 -4.847 967 2HB ASP 128 HB1 ASP 128 -0.562 -34.891 -4.244 Start of MODEL 4 1 1H MET 1 HT1 MET 1 3.672 0.116 -0.768 2 2H MET 1 HT2 MET 1 3.426 1.750 -0.415 3 3H MET 1 HT3 MET 1 3.220 1.187 -1.995 4 HA MET 1 HA MET 1 1.589 0.363 0.330 5 1HB MET 1 HB2 MET 1 1.222 2.734 -0.317 6 2HB MET 1 HB1 MET 1 0.874 2.218 -1.961 7 1HG MET 1 HG2 MET 1 -1.047 0.910 -1.095 8 2HG MET 1 HG1 MET 1 -0.726 1.567 0.509 9 1HE MET 1 HE1 MET 1 0.145 4.554 -0.161 10 2HE MET 1 HE2 MET 1 -0.992 4.161 1.129 11 3HE MET 1 HE3 MET 1 -1.399 5.400 -0.058 12 H ASN 2 HN ASN 2 1.524 -1.799 -0.144 13 HA ASN 2 HA ASN 2 0.699 -2.598 -2.861 14 1HB ASN 2 HB2 ASN 2 1.900 -4.294 -0.646 15 2HB ASN 2 HB1 ASN 2 1.534 -4.838 -2.280 16 1HD2 ASN 2 HD21 ASN 2 2.814 -4.047 -4.015 17 2HD2 ASN 2 HD22 ASN 2 4.397 -3.418 -3.732 18 H CYS 3 HN CYS 3 -0.241 -5.201 -2.015 19 HA CYS 3 HA CYS 3 -2.486 -4.634 -0.216 20 1HB CYS 3 HB2 CYS 3 -3.128 -4.292 -2.694 21 2HB CYS 3 HB1 CYS 3 -2.938 -6.039 -2.854 22 H VAL 4 HN VAL 4 -3.258 -6.485 0.869 23 HA VAL 4 HA VAL 4 -1.561 -8.771 0.949 24 HB VAL 4 HB VAL 4 -3.358 -9.797 2.378 25 1HG1 VAL 4 HG11 VAL 4 -1.519 -8.491 3.325 26 2HG1 VAL 4 HG12 VAL 4 -2.999 -8.274 4.259 27 3HG1 VAL 4 HG13 VAL 4 -2.464 -7.013 3.145 28 1HG2 VAL 4 HG21 VAL 4 -4.724 -7.130 1.956 29 2HG2 VAL 4 HG22 VAL 4 -5.224 -8.375 3.104 30 3HG2 VAL 4 HG23 VAL 4 -5.295 -8.692 1.370 31 H CYS 5 HN CYS 5 -1.501 -9.245 -1.253 32 HA CYS 5 HA CYS 5 -3.271 -11.279 -2.158 33 1HB CYS 5 HB2 CYS 5 -3.363 -8.623 -3.619 34 2HB CYS 5 HB1 CYS 5 -4.053 -10.126 -4.218 35 H GLY 6 HN GLY 6 -2.498 -12.189 -4.243 36 1HA GLY 6 HA2 GLY 6 0.264 -11.734 -4.851 37 2HA GLY 6 HA1 GLY 6 -0.873 -12.677 -5.813 38 H SER 7 HN SER 7 -0.490 -9.271 -4.854 39 HA SER 7 HA SER 7 -0.626 -8.331 -7.576 40 1HB SER 7 HB2 SER 7 -2.826 -7.540 -5.638 41 2HB SER 7 HB1 SER 7 -2.692 -7.098 -7.339 42 HG SER 7 HG SER 7 -2.923 -9.378 -7.804 43 H GLY 8 HN GLY 8 0.842 -6.731 -7.580 44 1HA GLY 8 HA2 GLY 8 1.886 -5.576 -5.204 45 2HA GLY 8 HA1 GLY 8 2.228 -5.052 -6.847 46 H LYS 9 HN LYS 9 -0.831 -4.828 -7.109 47 HA LYS 9 HA LYS 9 -1.029 -2.053 -6.837 48 1HB LYS 9 HB2 LYS 9 -3.387 -3.940 -6.814 49 2HB LYS 9 HB1 LYS 9 -3.327 -2.292 -7.427 50 1HG LYS 9 HG2 LYS 9 -1.764 -3.054 -9.191 51 2HG LYS 9 HG1 LYS 9 -1.963 -4.708 -8.604 52 1HD LYS 9 HD2 LYS 9 -3.421 -4.398 -10.486 53 2HD LYS 9 HD1 LYS 9 -4.412 -4.491 -9.030 54 1HE LYS 9 HE2 LYS 9 -4.664 -2.079 -9.004 55 2HE LYS 9 HE1 LYS 9 -3.574 -1.922 -10.382 56 1HZ LYS 9 HZ1 LYS 9 -5.919 -1.776 -11.017 57 2HZ LYS 9 HZ2 LYS 9 -6.182 -3.344 -10.439 58 3HZ LYS 9 HZ3 LYS 9 -5.147 -3.088 -11.754 59 H THR 10 HN THR 10 -2.584 -0.865 -5.495 60 HA THR 10 HA THR 10 -2.083 -1.368 -2.718 61 HB THR 10 HB THR 10 -3.256 0.718 -2.305 62 HG1 THR 10 HG1 THR 10 -3.986 1.613 -4.642 63 1HG2 THR 10 HG21 THR 10 -1.637 0.903 -4.852 64 2HG2 THR 10 HG22 THR 10 -0.991 0.924 -3.211 65 3HG2 THR 10 HG23 THR 10 -2.012 2.246 -3.774 66 H TYR 11 HN TYR 11 -4.028 -1.039 -1.140 67 HA TYR 11 HA TYR 11 -5.944 -3.042 -1.329 68 1HB TYR 11 HB2 TYR 11 -5.660 -2.088 0.811 69 2HB TYR 11 HB1 TYR 11 -5.842 -0.446 0.204 70 HD1 TYR 11 HD2 TYR 11 -7.791 -3.610 0.692 71 HD2 TYR 11 HD1 TYR 11 -7.895 0.640 0.419 72 HE1 TYR 11 HE2 TYR 11 -10.173 -3.626 1.313 73 HE2 TYR 11 HE1 TYR 11 -10.271 0.629 1.037 74 HH TYR 11 HH TYR 11 -12.175 -0.881 0.978 75 H ASP 12 HN ASP 12 -6.264 0.412 -2.074 76 HA ASP 12 HA ASP 12 -8.936 0.317 -2.944 77 1HB ASP 12 HB2 ASP 12 -6.719 2.289 -3.549 78 2HB ASP 12 HB1 ASP 12 -8.401 2.537 -4.005 79 H ASP 13 HN ASP 13 -5.925 0.493 -4.859 80 HA ASP 13 HA ASP 13 -7.254 0.416 -7.358 81 1HB ASP 13 HB2 ASP 13 -4.367 -0.196 -6.674 82 2HB ASP 13 HB1 ASP 13 -4.987 -0.026 -8.313 83 H CYS 14 HN CYS 14 -6.421 -2.073 -5.151 84 HA CYS 14 HA CYS 14 -6.858 -4.119 -7.226 85 1HB CYS 14 HB2 CYS 14 -4.874 -4.674 -6.132 86 2HB CYS 14 HB1 CYS 14 -5.481 -4.186 -4.560 87 H CYS 15 HN CYS 15 -7.605 -4.051 -3.724 88 HA CYS 15 HA CYS 15 -9.873 -5.749 -4.176 89 1HB CYS 15 HB2 CYS 15 -8.650 -4.519 -1.723 90 2HB CYS 15 HB1 CYS 15 -10.202 -5.348 -1.646 91 H GLY 16 HN GLY 16 -9.460 -2.332 -4.041 92 1HA GLY 16 HA2 GLY 16 -11.716 -1.482 -2.678 93 2HA GLY 16 HA1 GLY 16 -10.930 -0.579 -3.958 94 HA PRO 17 HA PRO 17 -14.235 -1.179 -6.807 95 1HB PRO 17 HB2 PRO 17 -13.397 -2.832 -8.854 96 2HB PRO 17 HB1 PRO 17 -12.985 -1.120 -8.719 97 1HG PRO 17 HG2 PRO 17 -11.372 -3.525 -7.961 98 2HG PRO 17 HG1 PRO 17 -10.848 -2.023 -8.748 99 1HD PRO 17 HD2 PRO 17 -10.419 -2.479 -6.128 100 2HD PRO 17 HD1 PRO 17 -10.772 -0.853 -6.749 101 H LEU 18 HN LEU 18 -12.731 -4.206 -5.886 102 HA LEU 18 HA LEU 18 -14.949 -5.869 -6.622 103 1HB LEU 18 HB2 LEU 18 -12.470 -6.340 -4.964 104 2HB LEU 18 HB1 LEU 18 -13.698 -7.573 -5.165 105 HG LEU 18 HG LEU 18 -11.877 -7.993 -6.690 106 1HD1 LEU 18 HD11 LEU 18 -14.299 -6.952 -8.149 107 2HD1 LEU 18 HD12 LEU 18 -14.096 -8.566 -7.466 108 3HD1 LEU 18 HD13 LEU 18 -13.086 -8.047 -8.814 109 1HD2 LEU 18 HD21 LEU 18 -10.976 -5.736 -6.870 110 2HD2 LEU 18 HD22 LEU 18 -12.381 -5.237 -7.812 111 3HD2 LEU 18 HD23 LEU 18 -11.260 -6.433 -8.465 112 H LEU 19 HN LEU 19 -13.633 -4.727 -3.533 113 HA LEU 19 HA LEU 19 -15.662 -5.915 -1.937 114 1HB LEU 19 HB2 LEU 19 -13.515 -3.872 -1.424 115 2HB LEU 19 HB1 LEU 19 -14.696 -4.263 -0.186 116 HG LEU 19 HG LEU 19 -12.994 -6.396 -1.483 117 1HD1 LEU 19 HD11 LEU 19 -12.364 -4.861 1.042 118 2HD1 LEU 19 HD12 LEU 19 -11.492 -4.727 -0.486 119 3HD1 LEU 19 HD13 LEU 19 -11.472 -6.246 0.409 120 1HD2 LEU 19 HD21 LEU 19 -13.525 -7.641 0.547 121 2HD2 LEU 19 HD22 LEU 19 -14.991 -7.149 -0.299 122 3HD2 LEU 19 HD23 LEU 19 -14.474 -6.279 1.146 123 H ALA 20 HN ALA 20 -15.445 -2.962 -3.698 124 HA ALA 20 HA ALA 20 -17.602 -1.654 -2.287 125 1HB ALA 20 HB1 ALA 20 -16.298 -0.969 -4.926 126 2HB ALA 20 HB2 ALA 20 -15.831 -0.337 -3.347 127 3HB ALA 20 HB3 ALA 20 -17.410 0.061 -4.022 128 H ARG 21 HN ARG 21 -17.421 -4.141 -4.526 129 HA ARG 21 HA ARG 21 -18.857 -5.205 -5.905 130 1HB ARG 21 HB2 ARG 21 -20.825 -3.668 -4.219 131 2HB ARG 21 HB1 ARG 21 -21.372 -4.670 -5.554 132 1HG ARG 21 HG2 ARG 21 -21.568 -5.958 -3.573 133 2HG ARG 21 HG1 ARG 21 -20.202 -6.603 -4.481 134 1HD ARG 21 HD2 ARG 21 -19.718 -6.463 -2.085 135 2HD ARG 21 HD1 ARG 21 -18.649 -5.427 -3.030 136 HE ARG 21 HE ARG 21 -20.300 -3.589 -2.361 137 1HH1 ARG 21 HH11 ARG 21 -19.643 -6.381 -0.358 138 2HH1 ARG 21 HH12 ARG 21 -19.853 -5.517 1.131 139 1HH2 ARG 21 HH21 ARG 21 -20.571 -2.447 -0.387 140 2HH2 ARG 21 HH22 ARG 21 -20.380 -3.295 1.117 141 H THR 22 HN THR 22 -17.954 -2.230 -6.376 142 HA THR 22 HA THR 22 -19.897 -1.293 -8.289 143 HB THR 22 HB THR 22 -18.593 0.323 -6.969 144 HG1 THR 22 HG1 THR 22 -18.251 0.336 -9.793 145 1HG2 THR 22 HG21 THR 22 -16.497 -0.926 -6.778 146 2HG2 THR 22 HG22 THR 22 -16.212 0.690 -7.424 147 3HG2 THR 22 HG23 THR 22 -16.199 -0.705 -8.503 148 H ARG 23 HN ARG 23 -17.263 -3.445 -8.312 149 HA ARG 23 HA ARG 23 -17.467 -3.775 -11.188 150 1HB ARG 23 HB2 ARG 23 -15.713 -2.149 -11.140 151 2HB ARG 23 HB1 ARG 23 -14.909 -2.955 -9.801 152 1HG ARG 23 HG2 ARG 23 -14.349 -4.837 -11.252 153 2HG ARG 23 HG1 ARG 23 -15.180 -4.055 -12.598 154 1HD ARG 23 HD2 ARG 23 -12.827 -2.868 -11.125 155 2HD ARG 23 HD1 ARG 23 -12.698 -3.784 -12.626 156 HE ARG 23 HE ARG 23 -13.883 -1.118 -12.295 157 1HH1 ARG 23 HH11 ARG 23 -12.973 -3.774 -14.395 158 2HH1 ARG 23 HH12 ARG 23 -13.055 -2.820 -15.845 159 1HH2 ARG 23 HH21 ARG 23 -13.999 0.133 -14.221 160 2HH2 ARG 23 HH22 ARG 23 -13.631 -0.613 -15.746 161 H SER 24 HN SER 24 -17.085 -5.842 -11.830 162 HA SER 24 HA SER 24 -16.405 -7.798 -9.758 163 1HB SER 24 HB2 SER 24 -17.240 -9.473 -11.416 164 2HB SER 24 HB1 SER 24 -18.453 -8.270 -10.983 165 HG SER 24 HG SER 24 -18.092 -7.233 -12.927 166 H ALA 25 HN ALA 25 -14.839 -9.453 -10.199 167 HA ALA 25 HA ALA 25 -12.424 -8.407 -11.220 168 1HB ALA 25 HB1 ALA 25 -11.465 -10.565 -10.663 169 2HB ALA 25 HB2 ALA 25 -13.075 -11.266 -10.506 170 3HB ALA 25 HB3 ALA 25 -12.539 -10.023 -9.375 171 H ALA 26 HN ALA 26 -14.898 -10.392 -12.639 172 HA ALA 26 HA ALA 26 -15.259 -11.190 -14.729 173 1HB ALA 26 HB1 ALA 26 -14.789 -8.872 -15.379 174 2HB ALA 26 HB2 ALA 26 -14.259 -10.016 -16.612 175 3HB ALA 26 HB3 ALA 26 -13.077 -9.266 -15.539 176 H SER 27 HN SER 27 -12.748 -12.062 -12.996 177 HA SER 27 HA SER 27 -11.908 -14.132 -14.848 178 1HB SER 27 HB2 SER 27 -10.277 -12.345 -15.295 179 2HB SER 27 HB1 SER 27 -9.916 -12.222 -13.575 180 HG SER 27 HG SER 27 -8.521 -13.586 -15.071 181 HA PRO 28 HA PRO 28 -12.360 -16.468 -11.128 182 1HB PRO 28 HB2 PRO 28 -10.647 -18.566 -11.705 183 2HB PRO 28 HB1 PRO 28 -12.300 -18.428 -12.312 184 1HG PRO 28 HG2 PRO 28 -9.719 -17.732 -13.663 185 2HG PRO 28 HG1 PRO 28 -11.154 -18.533 -14.332 186 1HD PRO 28 HD2 PRO 28 -10.651 -15.936 -14.803 187 2HD PRO 28 HD1 PRO 28 -12.311 -16.529 -14.580 188 H GLU 29 HN GLU 29 -9.020 -16.105 -12.310 189 HA GLU 29 HA GLU 29 -7.771 -16.554 -9.805 190 1HB GLU 29 HB2 GLU 29 -5.758 -15.596 -10.871 191 2HB GLU 29 HB1 GLU 29 -6.536 -16.797 -11.894 192 1HG GLU 29 HG2 GLU 29 -7.528 -15.051 -13.248 193 2HG GLU 29 HG1 GLU 29 -6.853 -13.814 -12.190 194 H ALA 30 HN ALA 30 -8.750 -13.626 -11.532 195 HA ALA 30 HA ALA 30 -7.702 -11.782 -9.659 196 1HB ALA 30 HB1 ALA 30 -9.942 -11.409 -11.654 197 2HB ALA 30 HB2 ALA 30 -8.225 -11.153 -11.966 198 3HB ALA 30 HB3 ALA 30 -9.076 -10.120 -10.817 199 H LEU 31 HN LEU 31 -10.601 -13.653 -9.809 200 HA LEU 31 HA LEU 31 -12.063 -12.067 -7.900 201 1HB LEU 31 HB2 LEU 31 -13.171 -13.282 -9.732 202 2HB LEU 31 HB1 LEU 31 -12.628 -14.803 -9.063 203 HG LEU 31 HG LEU 31 -15.074 -14.071 -8.686 204 1HD1 LEU 31 HD11 LEU 31 -15.187 -15.176 -6.549 205 2HD1 LEU 31 HD12 LEU 31 -13.449 -14.969 -6.326 206 3HD1 LEU 31 HD13 LEU 31 -14.056 -16.005 -7.618 207 1HD2 LEU 31 HD21 LEU 31 -13.757 -12.421 -6.535 208 2HD2 LEU 31 HD22 LEU 31 -15.488 -12.706 -6.714 209 3HD2 LEU 31 HD23 LEU 31 -14.614 -11.792 -7.943 210 H MET 32 HN MET 32 -10.258 -15.135 -7.851 211 HA MET 32 HA MET 32 -10.973 -15.697 -5.139 212 1HB MET 32 HB2 MET 32 -9.372 -17.520 -5.243 213 2HB MET 32 HB1 MET 32 -10.353 -17.496 -6.699 214 1HG MET 32 HG2 MET 32 -8.159 -17.984 -7.382 215 2HG MET 32 HG1 MET 32 -8.450 -16.306 -7.833 216 1HE MET 32 HE1 MET 32 -5.811 -16.074 -8.196 217 2HE MET 32 HE2 MET 32 -5.543 -17.730 -7.651 218 3HE MET 32 HE3 MET 32 -4.619 -16.407 -6.940 219 H ARG 33 HN ARG 33 -8.360 -13.946 -6.689 220 HA ARG 33 HA ARG 33 -6.776 -13.818 -4.295 221 1HB ARG 33 HB2 ARG 33 -5.153 -13.315 -5.734 222 2HB ARG 33 HB1 ARG 33 -6.319 -13.317 -7.040 223 1HG ARG 33 HG2 ARG 33 -5.765 -10.858 -5.392 224 2HG ARG 33 HG1 ARG 33 -4.806 -11.289 -6.807 225 1HD ARG 33 HD2 ARG 33 -7.024 -11.394 -8.068 226 2HD ARG 33 HD1 ARG 33 -7.728 -10.578 -6.674 227 HE ARG 33 HE ARG 33 -5.418 -9.218 -7.674 228 1HH1 ARG 33 HH11 ARG 33 -8.861 -9.676 -8.194 229 2HH1 ARG 33 HH12 ARG 33 -9.043 -8.204 -9.101 230 1HH2 ARG 33 HH21 ARG 33 -5.677 -7.278 -8.857 231 2HH2 ARG 33 HH22 ARG 33 -7.244 -6.840 -9.464 232 H SER 34 HN SER 34 -9.346 -11.922 -5.655 233 HA SER 34 HA SER 34 -8.950 -9.677 -3.888 234 1HB SER 34 HB2 SER 34 -11.299 -9.079 -4.608 235 2HB SER 34 HB1 SER 34 -10.147 -9.256 -5.932 236 HG SER 34 HG SER 34 -12.438 -10.529 -5.590 237 H ARG 35 HN ARG 35 -11.033 -12.547 -3.975 238 HA ARG 35 HA ARG 35 -12.379 -12.098 -1.546 239 1HB ARG 35 HB2 ARG 35 -11.741 -14.657 -3.034 240 2HB ARG 35 HB1 ARG 35 -12.752 -14.614 -1.594 241 1HG ARG 35 HG2 ARG 35 -14.314 -13.115 -2.763 242 2HG ARG 35 HG1 ARG 35 -13.299 -13.206 -4.204 243 1HD ARG 35 HD2 ARG 35 -14.931 -14.787 -4.639 244 2HD ARG 35 HD1 ARG 35 -13.627 -15.769 -3.983 245 HE ARG 35 HE ARG 35 -15.948 -14.887 -2.382 246 1HH1 ARG 35 HH11 ARG 35 -13.651 -17.365 -3.320 247 2HH1 ARG 35 HH12 ARG 35 -14.413 -18.603 -2.372 248 1HH2 ARG 35 HH21 ARG 35 -16.970 -16.540 -1.175 249 2HH2 ARG 35 HH22 ARG 35 -16.288 -18.136 -1.161 250 H TYR 36 HN TYR 36 -9.318 -13.729 -2.262 251 HA TYR 36 HA TYR 36 -8.629 -14.734 0.212 252 1HB TYR 36 HB2 TYR 36 -7.158 -15.141 -1.625 253 2HB TYR 36 HB1 TYR 36 -6.942 -13.423 -1.930 254 HD1 TYR 36 HD1 TYR 36 -5.991 -16.223 0.295 255 HD2 TYR 36 HD2 TYR 36 -5.315 -12.136 -0.706 256 HE1 TYR 36 HE1 TYR 36 -3.951 -16.222 1.672 257 HE2 TYR 36 HE2 TYR 36 -3.280 -12.126 0.669 258 HH TYR 36 HH TYR 36 -2.309 -13.350 2.529 259 H ALA 37 HN ALA 37 -8.184 -11.440 -1.002 260 HA ALA 37 HA ALA 37 -6.975 -10.411 1.341 261 1HB ALA 37 HB1 ALA 37 -8.440 -8.944 -0.852 262 2HB ALA 37 HB2 ALA 37 -6.723 -9.346 -0.843 263 3HB ALA 37 HB3 ALA 37 -7.369 -8.217 0.347 264 H ALA 38 HN ALA 38 -10.316 -10.541 0.191 265 HA ALA 38 HA ALA 38 -11.515 -8.890 2.099 266 1HB ALA 38 HB1 ALA 38 -13.594 -10.056 1.587 267 2HB ALA 38 HB2 ALA 38 -12.689 -11.359 0.814 268 3HB ALA 38 HB3 ALA 38 -12.681 -9.742 0.110 269 H TYR 39 HN TYR 39 -10.734 -12.320 2.185 270 HA TYR 39 HA TYR 39 -11.849 -12.843 4.744 271 1HB TYR 39 HB2 TYR 39 -10.780 -14.369 2.686 272 2HB TYR 39 HB1 TYR 39 -9.576 -14.540 3.955 273 HD1 TYR 39 HD2 TYR 39 -13.156 -14.095 4.714 274 HD2 TYR 39 HD1 TYR 39 -9.987 -16.899 4.258 275 HE1 TYR 39 HE2 TYR 39 -14.549 -15.836 5.751 276 HE2 TYR 39 HE1 TYR 39 -11.370 -18.643 5.291 277 HH TYR 39 HH TYR 39 -13.368 -18.697 6.914 278 H ALA 40 HN ALA 40 -8.665 -11.868 3.587 279 HA ALA 40 HA ALA 40 -7.350 -11.991 6.119 280 1HB ALA 40 HB1 ALA 40 -5.544 -10.771 5.020 281 2HB ALA 40 HB2 ALA 40 -6.597 -10.418 3.649 282 3HB ALA 40 HB3 ALA 40 -6.123 -12.082 3.991 283 H LEU 41 HN LEU 41 -9.398 -9.695 4.564 284 HA LEU 41 HA LEU 41 -8.783 -7.574 6.485 285 1HB LEU 41 HB2 LEU 41 -10.664 -7.661 4.117 286 2HB LEU 41 HB1 LEU 41 -10.448 -6.264 5.156 287 HG LEU 41 HG LEU 41 -8.298 -7.505 3.425 288 1HD1 LEU 41 HD11 LEU 41 -8.501 -5.456 2.091 289 2HD1 LEU 41 HD12 LEU 41 -9.865 -4.946 3.088 290 3HD1 LEU 41 HD13 LEU 41 -9.994 -6.394 2.088 291 1HD2 LEU 41 HD21 LEU 41 -7.374 -6.497 5.450 292 2HD2 LEU 41 HD22 LEU 41 -8.251 -5.003 5.120 293 3HD2 LEU 41 HD23 LEU 41 -6.970 -5.532 4.029 294 H LYS 42 HN LYS 42 -10.135 -10.230 6.984 295 HA LYS 42 HA LYS 42 -11.805 -11.158 8.152 296 1HB LYS 42 HB2 LYS 42 -12.325 -10.167 10.281 297 2HB LYS 42 HB1 LYS 42 -10.625 -9.940 9.932 298 1HG LYS 42 HG2 LYS 42 -12.466 -7.708 9.242 299 2HG LYS 42 HG1 LYS 42 -12.169 -8.022 10.950 300 1HD LYS 42 HD2 LYS 42 -10.032 -7.518 8.867 301 2HD LYS 42 HD1 LYS 42 -10.631 -6.329 10.023 302 1HE LYS 42 HE2 LYS 42 -9.254 -8.926 10.721 303 2HE LYS 42 HE1 LYS 42 -8.507 -7.329 10.745 304 1HZ LYS 42 HZ1 LYS 42 -9.172 -7.961 12.950 305 2HZ LYS 42 HZ2 LYS 42 -10.761 -8.242 12.452 306 3HZ LYS 42 HZ3 LYS 42 -10.138 -6.672 12.438 307 H ASP 43 HN ASP 43 -12.671 -9.455 5.831 308 HA ASP 43 HA ASP 43 -15.456 -9.013 6.677 309 1HB ASP 43 HB2 ASP 43 -14.272 -7.220 5.311 310 2HB ASP 43 HB1 ASP 43 -14.277 -8.353 3.963 311 H PHE 44 HN PHE 44 -15.716 -11.289 6.950 312 HA PHE 44 HA PHE 44 -15.423 -13.142 4.826 313 1HB PHE 44 HB2 PHE 44 -16.655 -14.692 6.246 314 2HB PHE 44 HB1 PHE 44 -15.480 -13.808 7.210 315 HD1 PHE 44 HD2 PHE 44 -16.270 -11.932 8.683 316 HD2 PHE 44 HD1 PHE 44 -18.969 -14.595 6.741 317 HE1 PHE 44 HE2 PHE 44 -18.047 -11.263 10.240 318 HE2 PHE 44 HE1 PHE 44 -20.750 -13.922 8.296 319 HZ PHE 44 HZ PHE 44 -20.290 -12.256 10.048 320 H ASP 45 HN ASP 45 -17.767 -10.772 5.536 321 HA ASP 45 HA ASP 45 -20.094 -11.928 4.485 322 1HB ASP 45 HB2 ASP 45 -20.173 -9.868 5.794 323 2HB ASP 45 HB1 ASP 45 -19.255 -9.015 4.556 324 H TYR 46 HN TYR 46 -17.543 -9.986 2.918 325 HA TYR 46 HA TYR 46 -18.723 -9.960 0.356 326 1HB TYR 46 HB2 TYR 46 -16.883 -8.430 0.959 327 2HB TYR 46 HB1 TYR 46 -15.770 -9.794 1.040 328 HD1 TYR 46 HD1 TYR 46 -18.155 -8.151 -1.323 329 HD2 TYR 46 HD2 TYR 46 -14.525 -10.335 -0.871 330 HE1 TYR 46 HE1 TYR 46 -17.715 -7.911 -3.727 331 HE2 TYR 46 HE2 TYR 46 -14.076 -10.094 -3.277 332 HH TYR 46 HH TYR 46 -15.930 -7.986 -5.285 333 H ILE 47 HN ILE 47 -16.612 -12.260 1.970 334 HA ILE 47 HA ILE 47 -16.009 -13.960 -0.164 335 HB ILE 47 HB ILE 47 -16.595 -14.701 2.717 336 1HG1 ILE 47 HG12 ILE 47 -14.751 -13.099 2.481 337 2HG1 ILE 47 HG11 ILE 47 -14.155 -14.672 2.994 338 1HG2 ILE 47 HG21 ILE 47 -15.181 -16.316 0.586 339 2HG2 ILE 47 HG22 ILE 47 -16.779 -16.653 1.250 340 3HG2 ILE 47 HG23 ILE 47 -15.353 -16.767 2.285 341 1HD1 ILE 47 HD11 ILE 47 -14.026 -13.550 0.207 342 2HD1 ILE 47 HD12 ILE 47 -13.452 -15.144 0.699 343 3HD1 ILE 47 HD13 ILE 47 -12.690 -13.693 1.349 344 H VAL 48 HN VAL 48 -18.759 -13.926 2.044 345 HA VAL 48 HA VAL 48 -20.136 -16.098 0.860 346 HB VAL 48 HB VAL 48 -21.305 -13.829 2.499 347 1HG1 VAL 48 HG11 VAL 48 -22.285 -16.654 2.053 348 2HG1 VAL 48 HG12 VAL 48 -23.000 -15.188 1.383 349 3HG1 VAL 48 HG13 VAL 48 -23.024 -15.462 3.124 350 1HG2 VAL 48 HG21 VAL 48 -20.946 -15.261 4.450 351 2HG2 VAL 48 HG22 VAL 48 -19.419 -14.866 3.660 352 3HG2 VAL 48 HG23 VAL 48 -20.145 -16.457 3.430 353 H GLU 49 HN GLU 49 -20.162 -12.606 0.306 354 HA GLU 49 HA GLU 49 -22.418 -12.451 -1.370 355 1HB GLU 49 HB2 GLU 49 -19.910 -10.751 -1.391 356 2HB GLU 49 HB1 GLU 49 -21.394 -10.358 -2.246 357 1HG GLU 49 HG2 GLU 49 -22.571 -10.301 -0.056 358 2HG GLU 49 HG1 GLU 49 -21.013 -10.532 0.735 359 H THR 50 HN THR 50 -19.044 -13.206 -2.043 360 HA THR 50 HA THR 50 -19.585 -13.405 -4.911 361 HB THR 50 HB THR 50 -17.030 -13.917 -4.931 362 HG1 THR 50 HG1 THR 50 -17.096 -12.492 -2.486 363 1HG2 THR 50 HG21 THR 50 -18.072 -11.186 -4.149 364 2HG2 THR 50 HG22 THR 50 -18.009 -11.846 -5.785 365 3HG2 THR 50 HG23 THR 50 -16.513 -11.514 -4.908 366 H THR 51 HN THR 51 -20.353 -15.377 -2.643 367 HA THR 51 HA THR 51 -19.218 -17.810 -3.785 368 HB THR 51 HB THR 51 -21.333 -17.526 -1.627 369 HG1 THR 51 HG1 THR 51 -19.358 -16.698 -0.909 370 1HG2 THR 51 HG21 THR 51 -20.839 -19.864 -1.130 371 2HG2 THR 51 HG22 THR 51 -19.640 -19.909 -2.423 372 3HG2 THR 51 HG23 THR 51 -21.349 -19.709 -2.815 373 H ASP 52 HN ASP 52 -20.582 -19.390 -4.792 374 HA ASP 52 HA ASP 52 -22.298 -18.493 -6.753 375 1HB ASP 52 HB2 ASP 52 -21.178 -20.765 -6.551 376 2HB ASP 52 HB1 ASP 52 -22.467 -21.205 -5.447 377 HA PRO 53 HA PRO 53 -26.101 -17.183 -4.801 378 1HB PRO 53 HB2 PRO 53 -27.611 -18.545 -6.868 379 2HB PRO 53 HB1 PRO 53 -27.346 -16.814 -6.664 380 1HG PRO 53 HG2 PRO 53 -25.977 -18.717 -8.434 381 2HG PRO 53 HG1 PRO 53 -26.037 -16.948 -8.521 382 1HD PRO 53 HD2 PRO 53 -23.799 -18.323 -7.836 383 2HD PRO 53 HD1 PRO 53 -24.155 -16.705 -7.204 384 H GLU 54 HN GLU 54 -25.566 -20.470 -5.878 385 HA GLU 54 HA GLU 54 -27.728 -21.520 -4.227 386 1HB GLU 54 HB2 GLU 54 -25.842 -22.845 -6.186 387 2HB GLU 54 HB1 GLU 54 -27.184 -23.652 -5.373 388 1HG GLU 54 HG2 GLU 54 -28.772 -22.179 -6.468 389 2HG GLU 54 HG1 GLU 54 -27.455 -21.278 -7.216 390 H ARG 55 HN ARG 55 -24.187 -21.796 -4.531 391 HA ARG 55 HA ARG 55 -23.889 -23.665 -2.396 392 1HB ARG 55 HB2 ARG 55 -21.802 -21.738 -3.451 393 2HB ARG 55 HB1 ARG 55 -21.504 -23.202 -2.525 394 1HG ARG 55 HG2 ARG 55 -22.688 -23.098 -5.291 395 2HG ARG 55 HG1 ARG 55 -21.011 -23.467 -4.912 396 1HD ARG 55 HD2 ARG 55 -21.647 -25.487 -3.775 397 2HD ARG 55 HD1 ARG 55 -23.359 -25.080 -3.911 398 HE ARG 55 HE ARG 55 -23.216 -25.454 -6.278 399 1HH1 ARG 55 HH11 ARG 55 -20.401 -26.515 -4.474 400 2HH1 ARG 55 HH12 ARG 55 -19.864 -27.595 -5.718 401 1HH2 ARG 55 HH21 ARG 55 -22.489 -26.874 -7.909 402 2HH2 ARG 55 HH22 ARG 55 -21.032 -27.790 -7.663 403 H ARG 56 HN ARG 56 -24.302 -20.265 -2.548 404 HA ARG 56 HA ARG 56 -23.015 -19.444 -0.191 405 1HB ARG 56 HB2 ARG 56 -23.723 -17.890 -1.943 406 2HB ARG 56 HB1 ARG 56 -25.410 -18.257 -1.615 407 1HG ARG 56 HG2 ARG 56 -25.292 -17.212 0.535 408 2HG ARG 56 HG1 ARG 56 -23.542 -17.020 0.399 409 1HD ARG 56 HD2 ARG 56 -23.839 -15.498 -1.476 410 2HD ARG 56 HD1 ARG 56 -25.590 -15.706 -1.393 411 HE ARG 56 HE ARG 56 -24.109 -14.603 0.891 412 1HH1 ARG 56 HH11 ARG 56 -26.545 -14.239 -1.584 413 2HH1 ARG 56 HH12 ARG 56 -27.140 -12.735 -0.949 414 1HH2 ARG 56 HH21 ARG 56 -24.850 -12.616 1.707 415 2HH2 ARG 56 HH22 ARG 56 -26.178 -11.815 0.924 416 H ASP 57 HN ASP 57 -26.101 -20.945 -0.764 417 HA ASP 57 HA ASP 57 -27.317 -20.358 1.729 418 1HB ASP 57 HB2 ASP 57 -28.634 -21.119 -0.179 419 2HB ASP 57 HB1 ASP 57 -27.772 -22.655 -0.197 420 H LEU 58 HN LEU 58 -24.923 -22.640 0.731 421 HA LEU 58 HA LEU 58 -25.232 -24.453 2.943 422 1HB LEU 58 HB2 LEU 58 -22.861 -24.130 1.091 423 2HB LEU 58 HB1 LEU 58 -23.218 -25.516 2.106 424 HG LEU 58 HG LEU 58 -24.825 -24.617 -0.297 425 1HD1 LEU 58 HD11 LEU 58 -22.690 -25.613 -0.916 426 2HD1 LEU 58 HD12 LEU 58 -24.025 -26.686 -1.330 427 3HD1 LEU 58 HD13 LEU 58 -23.036 -27.019 0.092 428 1HD2 LEU 58 HD21 LEU 58 -26.267 -25.603 1.404 429 2HD2 LEU 58 HD22 LEU 58 -25.208 -27.010 1.508 430 3HD2 LEU 58 HD23 LEU 58 -26.101 -26.684 0.022 431 H PHE 59 HN PHE 59 -23.753 -21.429 2.475 432 HA PHE 59 HA PHE 59 -21.621 -21.736 4.385 433 1HB PHE 59 HB2 PHE 59 -22.730 -19.416 2.811 434 2HB PHE 59 HB1 PHE 59 -21.563 -19.148 4.100 435 HD1 PHE 59 HD1 PHE 59 -21.485 -22.115 1.898 436 HD2 PHE 59 HD2 PHE 59 -19.850 -18.258 2.691 437 HE1 PHE 59 HE1 PHE 59 -19.633 -22.582 0.349 438 HE2 PHE 59 HE2 PHE 59 -17.996 -18.727 1.145 439 HZ PHE 59 HZ PHE 59 -17.884 -20.889 -0.029 440 H ASP 60 HN ASP 60 -21.422 -20.269 6.258 441 HA ASP 60 HA ASP 60 -23.898 -19.273 7.428 442 1HB ASP 60 HB2 ASP 60 -23.811 -21.545 8.323 443 2HB ASP 60 HB1 ASP 60 -22.139 -21.312 8.828 444 H HIS 61 HN HIS 61 -23.560 -17.495 8.676 445 HA HIS 61 HA HIS 61 -21.235 -16.017 8.227 446 1HB HIS 61 HB2 HIS 61 -23.390 -15.619 10.313 447 2HB HIS 61 HB1 HIS 61 -22.155 -14.426 9.923 448 HD1 HIS 61 HD1 HIS 61 -25.458 -15.621 8.898 449 HD2 HIS 61 HD2 HIS 61 -22.375 -13.406 7.205 450 HE1 HIS 61 HE1 HIS 61 -26.472 -14.462 6.911 451 HE2 HIS 61 HE2 HIS 61 -24.611 -13.054 5.958 452 H ASP 62 HN ASP 62 -22.242 -17.803 11.136 453 HA ASP 62 HA ASP 62 -20.090 -16.891 12.753 454 1HB ASP 62 HB2 ASP 62 -21.943 -19.268 13.028 455 2HB ASP 62 HB1 ASP 62 -20.739 -18.840 14.239 456 H VAL 63 HN VAL 63 -20.671 -19.970 11.072 457 HA VAL 63 HA VAL 63 -18.234 -21.184 11.790 458 HB VAL 63 HB VAL 63 -19.906 -21.706 9.316 459 1HG1 VAL 63 HG11 VAL 63 -18.874 -23.944 9.353 460 2HG1 VAL 63 HG12 VAL 63 -17.840 -23.436 10.689 461 3HG1 VAL 63 HG13 VAL 63 -17.680 -22.670 9.109 462 1HG2 VAL 63 HG21 VAL 63 -21.235 -21.931 11.342 463 2HG2 VAL 63 HG22 VAL 63 -20.013 -22.985 12.053 464 3HG2 VAL 63 HG23 VAL 63 -20.922 -23.518 10.639 465 H ASN 64 HN ASN 64 -19.138 -19.186 9.019 466 HA ASN 64 HA ASN 64 -16.768 -19.502 7.530 467 1HB ASN 64 HB2 ASN 64 -18.945 -18.515 6.700 468 2HB ASN 64 HB1 ASN 64 -18.538 -17.041 7.570 469 1HD2 ASN 64 HD21 ASN 64 -16.264 -19.108 5.841 470 2HD2 ASN 64 HD22 ASN 64 -15.854 -17.941 4.639 471 H ARG 65 HN ARG 65 -17.755 -17.005 9.866 472 HA ARG 65 HA ARG 65 -15.397 -15.485 9.791 473 1HB ARG 65 HB2 ARG 65 -17.465 -14.665 10.837 474 2HB ARG 65 HB1 ARG 65 -17.321 -15.882 12.101 475 1HG ARG 65 HG2 ARG 65 -15.298 -14.847 12.928 476 2HG ARG 65 HG1 ARG 65 -15.306 -13.692 11.597 477 1HD ARG 65 HD2 ARG 65 -16.135 -12.619 13.588 478 2HD ARG 65 HD1 ARG 65 -17.453 -12.795 12.432 479 HE ARG 65 HE ARG 65 -18.231 -14.696 13.776 480 1HH1 ARG 65 HH11 ARG 65 -16.017 -12.422 15.275 481 2HH1 ARG 65 HH12 ARG 65 -16.554 -12.776 16.887 482 1HH2 ARG 65 HH21 ARG 65 -18.941 -15.146 15.907 483 2HH2 ARG 65 HH22 ARG 65 -18.216 -14.312 17.246 484 H ALA 66 HN ALA 66 -16.344 -18.183 11.878 485 HA ALA 66 HA ALA 66 -14.338 -18.140 13.743 486 1HB ALA 66 HB1 ALA 66 -14.760 -20.516 14.088 487 2HB ALA 66 HB2 ALA 66 -15.596 -20.603 12.535 488 3HB ALA 66 HB3 ALA 66 -16.267 -19.633 13.847 489 H TRP 67 HN TRP 67 -14.166 -19.480 10.472 490 HA TRP 67 HA TRP 67 -11.693 -20.821 10.832 491 1HB TRP 67 HB2 TRP 67 -13.189 -21.410 8.987 492 2HB TRP 67 HB1 TRP 67 -12.970 -19.812 8.275 493 HD1 TRP 67 HD1 TRP 67 -11.054 -19.591 6.557 494 HE1 TRP 67 HE1 TRP 67 -9.062 -21.048 5.836 495 HE3 TRP 67 HE3 TRP 67 -11.413 -23.272 10.091 496 HZ2 TRP 67 HZ2 TRP 67 -7.808 -23.436 6.648 497 HZ3 TRP 67 HZ3 TRP 67 -9.774 -25.109 10.048 498 HH2 TRP 67 HH2 TRP 67 -8.009 -25.188 8.360 499 H MET 68 HN MET 68 -12.470 -17.644 9.375 500 HA MET 68 HA MET 68 -9.768 -17.037 8.741 501 1HB MET 68 HB2 MET 68 -10.518 -14.831 8.192 502 2HB MET 68 HB1 MET 68 -11.770 -15.953 7.679 503 1HG MET 68 HG2 MET 68 -13.088 -15.414 9.646 504 2HG MET 68 HG1 MET 68 -11.821 -14.328 10.215 505 1HE MET 68 HE1 MET 68 -13.407 -12.307 10.484 506 2HE MET 68 HE2 MET 68 -14.759 -13.349 10.041 507 3HE MET 68 HE3 MET 68 -14.563 -11.781 9.260 508 H GLU 69 HN GLU 69 -11.578 -16.883 11.649 509 HA GLU 69 HA GLU 69 -10.044 -14.930 13.033 510 1HB GLU 69 HB2 GLU 69 -11.648 -17.254 14.138 511 2HB GLU 69 HB1 GLU 69 -11.069 -15.877 15.067 512 1HG GLU 69 HG2 GLU 69 -13.015 -15.722 12.774 513 2HG GLU 69 HG1 GLU 69 -13.463 -15.725 14.473 514 H GLU 70 HN GLU 70 -9.691 -18.363 12.452 515 HA GLU 70 HA GLU 70 -7.220 -18.394 14.065 516 1HB GLU 70 HB2 GLU 70 -7.426 -20.826 14.101 517 2HB GLU 70 HB1 GLU 70 -8.900 -20.080 14.701 518 1HG GLU 70 HG2 GLU 70 -9.980 -20.468 12.537 519 2HG GLU 70 HG1 GLU 70 -8.501 -21.217 11.936 520 H SER 71 HN SER 71 -7.940 -17.608 11.099 521 HA SER 71 HA SER 71 -5.684 -19.075 9.892 522 1HB SER 71 HB2 SER 71 -7.800 -19.758 8.851 523 2HB SER 71 HB1 SER 71 -8.192 -18.075 8.508 524 HG SER 71 HG SER 71 -6.452 -17.989 7.096 525 H ASP 72 HN ASP 72 -4.280 -17.439 10.640 526 HA ASP 72 HA ASP 72 -4.560 -14.704 9.779 527 1HB ASP 72 HB2 ASP 72 -3.366 -15.239 11.851 528 2HB ASP 72 HB1 ASP 72 -2.214 -16.223 10.963 529 H PHE 73 HN PHE 73 -4.404 -14.272 7.633 530 HA PHE 73 HA PHE 73 -2.973 -16.036 5.863 531 1HB PHE 73 HB2 PHE 73 -4.484 -13.465 5.349 532 2HB PHE 73 HB1 PHE 73 -3.751 -14.446 4.081 533 HD1 PHE 73 HD2 PHE 73 -4.569 -16.762 3.684 534 HD2 PHE 73 HD1 PHE 73 -6.567 -14.078 6.321 535 HE1 PHE 73 HE2 PHE 73 -6.578 -18.177 3.597 536 HE2 PHE 73 HE1 PHE 73 -8.577 -15.493 6.238 537 HZ PHE 73 HZ PHE 73 -8.582 -17.545 4.877 538 H LEU 74 HN LEU 74 -0.972 -15.860 5.127 539 HA LEU 74 HA LEU 74 0.543 -13.425 5.778 540 1HB LEU 74 HB2 LEU 74 1.365 -16.304 5.496 541 2HB LEU 74 HB1 LEU 74 2.548 -15.020 5.353 542 HG LEU 74 HG LEU 74 1.962 -14.262 7.653 543 1HD1 LEU 74 HD11 LEU 74 -0.300 -15.116 7.807 544 2HD1 LEU 74 HD12 LEU 74 0.695 -15.754 9.115 545 3HD1 LEU 74 HD13 LEU 74 0.299 -16.773 7.730 546 1HD2 LEU 74 HD21 LEU 74 3.869 -15.721 7.280 547 2HD2 LEU 74 HD22 LEU 74 2.834 -17.141 7.423 548 3HD2 LEU 74 HD23 LEU 74 3.090 -16.090 8.818 549 H GLU 75 HN GLU 75 0.242 -15.894 3.204 550 HA GLU 75 HA GLU 75 1.112 -13.927 1.221 551 1HB GLU 75 HB2 GLU 75 3.191 -14.961 2.041 552 2HB GLU 75 HB1 GLU 75 2.541 -16.558 1.706 553 1HG GLU 75 HG2 GLU 75 4.080 -15.991 -0.026 554 2HG GLU 75 HG1 GLU 75 2.454 -15.966 -0.705 555 H LEU 76 HN LEU 76 0.618 -14.517 -0.935 556 HA LEU 76 HA LEU 76 -1.044 -16.933 -1.278 557 1HB LEU 76 HB2 LEU 76 -2.408 -14.873 -1.364 558 2HB LEU 76 HB1 LEU 76 -1.379 -14.247 -2.640 559 HG LEU 76 HG LEU 76 -2.101 -16.121 -4.108 560 1HD1 LEU 76 HD11 LEU 76 -4.034 -17.477 -3.470 561 2HD1 LEU 76 HD12 LEU 76 -4.014 -16.757 -1.860 562 3HD1 LEU 76 HD13 LEU 76 -2.664 -17.759 -2.396 563 1HD2 LEU 76 HD21 LEU 76 -4.356 -15.281 -4.545 564 2HD2 LEU 76 HD22 LEU 76 -3.223 -13.963 -4.250 565 3HD2 LEU 76 HD23 LEU 76 -4.355 -14.452 -2.987 566 H ARG 77 HN ARG 77 -0.776 -18.048 -3.241 567 HA ARG 77 HA ARG 77 1.425 -17.214 -4.982 568 1HB ARG 77 HB2 ARG 77 2.467 -18.658 -3.326 569 2HB ARG 77 HB1 ARG 77 1.231 -19.885 -3.565 570 1HG ARG 77 HG2 ARG 77 2.028 -20.246 -5.854 571 2HG ARG 77 HG1 ARG 77 3.268 -19.011 -5.615 572 1HD ARG 77 HD2 ARG 77 4.336 -20.325 -3.913 573 2HD ARG 77 HD1 ARG 77 3.016 -21.495 -3.919 574 HE ARG 77 HE ARG 77 4.204 -21.294 -6.492 575 1HH1 ARG 77 HH11 ARG 77 4.796 -22.593 -3.293 576 2HH1 ARG 77 HH12 ARG 77 5.726 -23.937 -3.873 577 1HH2 ARG 77 HH21 ARG 77 5.455 -23.041 -7.254 578 2HH2 ARG 77 HH22 ARG 77 6.114 -24.184 -6.128 579 H VAL 78 HN VAL 78 0.287 -16.975 -6.801 580 HA VAL 78 HA VAL 78 -1.856 -18.755 -7.554 581 HB VAL 78 HB VAL 78 -0.495 -16.570 -9.148 582 1HG1 VAL 78 HG11 VAL 78 -1.701 -18.128 -10.587 583 2HG1 VAL 78 HG12 VAL 78 -2.546 -16.582 -10.516 584 3HG1 VAL 78 HG13 VAL 78 -3.145 -17.958 -9.588 585 1HG2 VAL 78 HG21 VAL 78 -1.456 -15.674 -7.106 586 2HG2 VAL 78 HG22 VAL 78 -2.994 -16.462 -7.458 587 3HG2 VAL 78 HG23 VAL 78 -2.409 -15.165 -8.501 588 H LEU 79 HN LEU 79 -1.658 -20.569 -8.744 589 HA LEU 79 HA LEU 79 1.005 -21.210 -9.818 590 1HB LEU 79 HB2 LEU 79 -1.316 -23.050 -9.214 591 2HB LEU 79 HB1 LEU 79 0.287 -23.546 -9.729 592 HG LEU 79 HG LEU 79 -0.399 -22.202 -7.105 593 1HD1 LEU 79 HD11 LEU 79 -1.128 -24.520 -7.200 594 2HD1 LEU 79 HD12 LEU 79 0.245 -24.340 -6.109 595 3HD1 LEU 79 HD13 LEU 79 0.482 -25.022 -7.718 596 1HD2 LEU 79 HD21 LEU 79 1.946 -22.593 -6.508 597 2HD2 LEU 79 HD22 LEU 79 1.805 -21.507 -7.889 598 3HD2 LEU 79 HD23 LEU 79 2.264 -23.192 -8.137 599 H GLY 80 HN GLY 80 -2.443 -21.597 -10.656 600 1HA GLY 80 HA2 GLY 80 -1.850 -21.015 -13.443 601 2HA GLY 80 HA1 GLY 80 -2.409 -22.653 -13.122 602 H SER 81 HN SER 81 -3.807 -20.857 -14.758 603 HA SER 81 HA SER 81 -6.347 -20.721 -13.375 604 1HB SER 81 HB2 SER 81 -6.631 -18.273 -14.064 605 2HB SER 81 HB1 SER 81 -5.540 -18.576 -12.713 606 HG SER 81 HG SER 81 -4.978 -17.238 -14.859 607 H SER 82 HN SER 82 -8.064 -20.919 -14.772 608 HA SER 82 HA SER 82 -7.658 -20.519 -17.630 609 1HB SER 82 HB2 SER 82 -8.512 -23.202 -16.500 610 2HB SER 82 HB1 SER 82 -8.390 -22.788 -18.210 611 HG SER 82 HG SER 82 -6.060 -22.192 -17.207 612 H GLU 83 HN GLU 83 -9.418 -19.637 -18.506 613 HA GLU 83 HA GLU 83 -12.011 -19.867 -17.134 614 1HB GLU 83 HB2 GLU 83 -11.321 -17.583 -17.598 615 2HB GLU 83 HB1 GLU 83 -11.017 -17.974 -19.285 616 1HG GLU 83 HG2 GLU 83 -13.441 -18.431 -19.571 617 2HG GLU 83 HG1 GLU 83 -13.702 -17.911 -17.908 618 H LYS 84 HN LYS 84 -13.369 -21.383 -17.894 619 HA LYS 84 HA LYS 84 -13.090 -22.223 -20.711 620 1HB LYS 84 HB2 LYS 84 -14.329 -23.900 -18.520 621 2HB LYS 84 HB1 LYS 84 -13.780 -24.418 -20.107 622 1HG LYS 84 HG2 LYS 84 -12.022 -23.530 -17.823 623 2HG LYS 84 HG1 LYS 84 -12.273 -25.189 -18.365 624 1HD LYS 84 HD2 LYS 84 -11.089 -22.994 -20.070 625 2HD LYS 84 HD1 LYS 84 -10.138 -24.164 -19.158 626 1HE LYS 84 HE2 LYS 84 -11.182 -25.987 -20.450 627 2HE LYS 84 HE1 LYS 84 -12.087 -24.792 -21.380 628 1HZ LYS 84 HZ1 LYS 84 -9.977 -23.867 -22.145 629 2HZ LYS 84 HZ2 LYS 84 -10.128 -25.495 -22.577 630 3HZ LYS 84 HZ3 LYS 84 -9.128 -25.053 -21.285 631 H GLY 85 HN GLY 85 -14.481 -20.308 -21.091 632 1HA GLY 85 HA2 GLY 85 -16.511 -19.562 -21.869 633 2HA GLY 85 HA1 GLY 85 -17.183 -21.139 -21.484 634 H SER 86 HN SER 86 -18.638 -21.211 -19.899 635 HA SER 86 HA SER 86 -19.060 -18.802 -18.292 636 1HB SER 86 HB2 SER 86 -21.255 -20.017 -17.737 637 2HB SER 86 HB1 SER 86 -21.035 -19.480 -19.402 638 HG SER 86 HG SER 86 -20.759 -21.516 -20.056 639 H ARG 87 HN ARG 87 -17.243 -21.421 -17.915 640 HA ARG 87 HA ARG 87 -17.452 -21.302 -15.004 641 1HB ARG 87 HB2 ARG 87 -18.770 -23.263 -15.686 642 2HB ARG 87 HB1 ARG 87 -17.412 -23.880 -16.605 643 1HG ARG 87 HG2 ARG 87 -17.124 -23.409 -13.664 644 2HG ARG 87 HG1 ARG 87 -17.964 -24.841 -14.254 645 1HD ARG 87 HD2 ARG 87 -15.118 -24.033 -14.843 646 2HD ARG 87 HD1 ARG 87 -15.651 -25.390 -13.851 647 HE ARG 87 HE ARG 87 -16.362 -25.295 -16.706 648 1HH1 ARG 87 HH11 ARG 87 -14.704 -26.863 -14.048 649 2HH1 ARG 87 HH12 ARG 87 -14.299 -28.277 -14.968 650 1HH2 ARG 87 HH21 ARG 87 -15.836 -27.156 -17.918 651 2HH2 ARG 87 HH22 ARG 87 -14.956 -28.446 -17.167 652 H GLY 88 HN GLY 88 -15.472 -21.505 -13.979 653 1HA GLY 88 HA2 GLY 88 -13.114 -21.940 -15.690 654 2HA GLY 88 HA1 GLY 88 -13.254 -20.446 -14.772 655 H THR 89 HN THR 89 -11.077 -21.786 -14.267 656 HA THR 89 HA THR 89 -11.445 -22.777 -11.565 657 HB THR 89 HB THR 89 -10.139 -24.502 -13.695 658 HG1 THR 89 HG1 THR 89 -12.692 -24.381 -12.687 659 1HG2 THR 89 HG21 THR 89 -9.004 -24.719 -11.547 660 2HG2 THR 89 HG22 THR 89 -9.933 -26.176 -11.900 661 3HG2 THR 89 HG23 THR 89 -10.548 -24.998 -10.742 662 H VAL 90 HN VAL 90 -9.588 -22.553 -10.304 663 HA VAL 90 HA VAL 90 -7.115 -21.701 -11.616 664 HB VAL 90 HB VAL 90 -8.215 -19.596 -11.163 665 1HG1 VAL 90 HG11 VAL 90 -8.879 -18.901 -8.923 666 2HG1 VAL 90 HG12 VAL 90 -8.443 -20.488 -8.290 667 3HG1 VAL 90 HG13 VAL 90 -9.774 -20.331 -9.437 668 1HG2 VAL 90 HG21 VAL 90 -6.032 -20.105 -9.133 669 2HG2 VAL 90 HG22 VAL 90 -6.561 -18.520 -9.700 670 3HG2 VAL 90 HG23 VAL 90 -5.799 -19.648 -10.821 671 H GLU 91 HN GLU 91 -5.353 -22.460 -10.681 672 HA GLU 91 HA GLU 91 -5.570 -23.982 -8.173 673 1HB GLU 91 HB2 GLU 91 -4.664 -25.097 -10.234 674 2HB GLU 91 HB1 GLU 91 -3.354 -23.927 -10.250 675 1HG GLU 91 HG2 GLU 91 -2.355 -25.738 -9.243 676 2HG GLU 91 HG1 GLU 91 -2.883 -24.805 -7.845 677 H PHE 92 HN PHE 92 -4.673 -23.123 -6.342 678 HA PHE 92 HA PHE 92 -2.444 -21.256 -6.581 679 1HB PHE 92 HB2 PHE 92 -3.502 -19.504 -5.268 680 2HB PHE 92 HB1 PHE 92 -4.459 -19.825 -6.707 681 HD1 PHE 92 HD2 PHE 92 -6.602 -21.085 -6.510 682 HD2 PHE 92 HD1 PHE 92 -4.403 -19.808 -3.090 683 HE1 PHE 92 HE2 PHE 92 -8.598 -21.396 -5.108 684 HE2 PHE 92 HE1 PHE 92 -6.398 -20.120 -1.687 685 HZ PHE 92 HZ PHE 92 -8.500 -20.915 -2.696 686 H ILE 93 HN ILE 93 -1.725 -20.535 -4.358 687 HA ILE 93 HA ILE 93 -2.189 -22.559 -2.277 688 HB ILE 93 HB ILE 93 0.514 -21.496 -3.153 689 1HG1 ILE 93 HG12 ILE 93 -0.500 -24.344 -2.997 690 2HG1 ILE 93 HG11 ILE 93 -0.414 -23.405 -4.478 691 1HG2 ILE 93 HG21 ILE 93 0.412 -21.548 -0.721 692 2HG2 ILE 93 HG22 ILE 93 1.466 -22.831 -1.314 693 3HG2 ILE 93 HG23 ILE 93 -0.165 -23.215 -0.761 694 1HD1 ILE 93 HD11 ILE 93 1.916 -24.220 -2.754 695 2HD1 ILE 93 HD12 ILE 93 2.019 -23.261 -4.231 696 3HD1 ILE 93 HD13 ILE 93 1.456 -24.930 -4.301 697 H ALA 94 HN ALA 94 -3.208 -21.387 -0.767 698 HA ALA 94 HA ALA 94 -2.321 -18.670 -0.144 699 1HB ALA 94 HB1 ALA 94 -4.731 -19.066 -0.319 700 2HB ALA 94 HB2 ALA 94 -4.291 -18.593 1.322 701 3HB ALA 94 HB3 ALA 94 -4.634 -20.284 0.954 702 H ARG 95 HN ARG 95 -0.667 -18.499 1.237 703 HA ARG 95 HA ARG 95 -0.202 -20.585 3.237 704 1HB ARG 95 HB2 ARG 95 1.722 -19.855 1.870 705 2HB ARG 95 HB1 ARG 95 1.516 -18.209 2.459 706 1HG ARG 95 HG2 ARG 95 1.934 -19.045 4.771 707 2HG ARG 95 HG1 ARG 95 2.283 -20.632 4.088 708 1HD ARG 95 HD2 ARG 95 4.116 -19.633 2.767 709 2HD ARG 95 HD1 ARG 95 3.773 -18.070 3.510 710 HE ARG 95 HE ARG 95 4.492 -18.967 5.620 711 1HH1 ARG 95 HH11 ARG 95 5.209 -20.982 2.839 712 2HH1 ARG 95 HH12 ARG 95 6.485 -21.843 3.641 713 1HH2 ARG 95 HH21 ARG 95 6.174 -20.106 6.664 714 2HH2 ARG 95 HH22 ARG 95 7.016 -21.362 5.806 715 H PHE 96 HN PHE 96 -1.015 -20.334 5.185 716 HA PHE 96 HA PHE 96 -1.175 -17.641 6.338 717 1HB PHE 96 HB2 PHE 96 -3.346 -18.399 7.451 718 2HB PHE 96 HB1 PHE 96 -3.421 -18.005 5.740 719 HD1 PHE 96 HD1 PHE 96 -2.570 -21.086 7.718 720 HD2 PHE 96 HD2 PHE 96 -4.893 -19.342 4.600 721 HE1 PHE 96 HE1 PHE 96 -3.602 -23.269 7.266 722 HE2 PHE 96 HE2 PHE 96 -5.930 -21.524 4.152 723 HZ PHE 96 HZ PHE 96 -5.286 -23.492 5.485 724 H ARG 97 HN ARG 97 -2.014 -18.120 8.789 725 HA ARG 97 HA ARG 97 -0.152 -20.106 9.912 726 1HB ARG 97 HB2 ARG 97 0.658 -17.759 10.143 727 2HB ARG 97 HB1 ARG 97 -0.810 -17.360 11.017 728 1HG ARG 97 HG2 ARG 97 -0.198 -18.841 12.819 729 2HG ARG 97 HG1 ARG 97 1.214 -19.402 11.918 730 1HD ARG 97 HD2 ARG 97 1.732 -17.704 13.673 731 2HD ARG 97 HD1 ARG 97 2.245 -17.247 12.049 732 HE ARG 97 HE ARG 97 0.252 -15.804 11.951 733 1HH1 ARG 97 HH11 ARG 97 1.421 -16.828 15.088 734 2HH1 ARG 97 HH12 ARG 97 0.682 -15.507 15.936 735 1HH2 ARG 97 HH21 ARG 97 -0.696 -14.062 13.036 736 2HH2 ARG 97 HH22 ARG 97 -0.521 -13.915 14.758 737 H ARG 98 HN ARG 98 -1.193 -21.592 11.097 738 HA ARG 98 HA ARG 98 -4.035 -21.387 11.420 739 1HB ARG 98 HB2 ARG 98 -2.910 -23.515 10.831 740 2HB ARG 98 HB1 ARG 98 -2.135 -23.532 12.410 741 1HG ARG 98 HG2 ARG 98 -4.301 -23.726 13.501 742 2HG ARG 98 HG1 ARG 98 -5.117 -23.626 11.941 743 1HD ARG 98 HD2 ARG 98 -5.019 -25.930 12.640 744 2HD ARG 98 HD1 ARG 98 -3.963 -25.704 11.247 745 HE ARG 98 HE ARG 98 -2.426 -25.400 13.568 746 1HH1 ARG 98 HH11 ARG 98 -4.193 -27.908 11.871 747 2HH1 ARG 98 HH12 ARG 98 -3.179 -29.190 12.462 748 1HH2 ARG 98 HH21 ARG 98 -1.105 -27.092 14.351 749 2HH2 ARG 98 HH22 ARG 98 -1.434 -28.728 13.875 750 H GLY 99 HN GLY 99 -5.229 -21.215 13.279 751 1HA GLY 99 HA2 GLY 99 -4.250 -19.784 15.476 752 2HA GLY 99 HA1 GLY 99 -5.767 -20.671 15.438 753 H GLY 100 HN GLY 100 -2.335 -20.912 16.083 754 1HA GLY 100 HA2 GLY 100 -2.561 -22.581 18.314 755 2HA GLY 100 HA1 GLY 100 -2.243 -23.599 16.914 756 H GLY 101 HN GLY 101 -0.669 -21.513 15.564 757 1HA GLY 101 HA2 GLY 101 1.350 -20.268 16.733 758 2HA GLY 101 HA1 GLY 101 1.840 -21.932 17.005 759 HA PRO 102 HA PRO 102 3.833 -22.151 13.184 760 1HB PRO 102 HB2 PRO 102 3.185 -24.557 12.113 761 2HB PRO 102 HB1 PRO 102 4.163 -24.396 13.578 762 1HG PRO 102 HG2 PRO 102 1.228 -24.972 13.320 763 2HG PRO 102 HG1 PRO 102 2.432 -25.754 14.363 764 1HD PRO 102 HD2 PRO 102 0.744 -23.845 15.282 765 2HD PRO 102 HD1 PRO 102 2.393 -24.034 15.912 766 H GLU 103 HN GLU 103 3.784 -22.041 10.924 767 HA GLU 103 HA GLU 103 1.392 -20.990 9.752 768 1HB GLU 103 HB2 GLU 103 4.028 -21.769 8.478 769 2HB GLU 103 HB1 GLU 103 2.755 -20.848 7.692 770 1HG GLU 103 HG2 GLU 103 3.099 -18.981 9.109 771 2HG GLU 103 HG1 GLU 103 4.137 -19.908 10.193 772 H GLN 104 HN GLN 104 0.594 -21.834 7.644 773 HA GLN 104 HA GLN 104 0.960 -24.619 7.037 774 1HB GLN 104 HB2 GLN 104 -0.676 -24.816 8.833 775 2HB GLN 104 HB1 GLN 104 -1.710 -23.621 8.065 776 1HG GLN 104 HG2 GLN 104 -2.157 -25.110 6.227 777 2HG GLN 104 HG1 GLN 104 -0.998 -26.284 6.845 778 1HE2 GLN 104 HE21 GLN 104 -1.783 -25.993 9.611 779 2HE2 GLN 104 HE22 GLN 104 -3.326 -26.755 9.763 780 H SER 105 HN SER 105 0.245 -25.121 4.969 781 HA SER 105 HA SER 105 -0.448 -22.784 3.340 782 1HB SER 105 HB2 SER 105 0.365 -24.255 1.439 783 2HB SER 105 HB1 SER 105 1.593 -23.823 2.630 784 HG SER 105 HG SER 105 1.441 -26.117 1.954 785 H HIS 106 HN HIS 106 -2.094 -22.844 1.849 786 HA HIS 106 HA HIS 106 -3.961 -25.126 1.989 787 1HB HIS 106 HB2 HIS 106 -4.614 -22.763 2.985 788 2HB HIS 106 HB1 HIS 106 -4.866 -22.337 1.299 789 HD1 HIS 106 HD1 HIS 106 -7.124 -22.878 0.381 790 HD2 HIS 106 HD2 HIS 106 -6.253 -25.086 3.788 791 HE1 HIS 106 HE1 HIS 106 -9.268 -24.031 1.006 792 HE2 HIS 106 HE2 HIS 106 -8.614 -25.586 2.874 793 H HIS 107 HN HIS 107 -3.591 -26.208 0.147 794 HA HIS 107 HA HIS 107 -3.231 -24.681 -2.355 795 1HB HIS 107 HB2 HIS 107 -1.107 -25.703 -1.648 796 2HB HIS 107 HB1 HIS 107 -1.882 -27.274 -1.539 797 HD1 HIS 107 HD1 HIS 107 0.380 -27.487 -3.246 798 HD2 HIS 107 HD2 HIS 107 -3.183 -25.981 -4.755 799 HE1 HIS 107 HE1 HIS 107 0.562 -27.685 -5.743 800 HE2 HIS 107 HE2 HIS 107 -1.708 -26.999 -6.592 801 H GLU 108 HN GLU 108 -4.964 -24.961 -3.592 802 HA GLU 108 HA GLU 108 -5.858 -27.603 -4.227 803 1HB GLU 108 HB2 GLU 108 -8.225 -27.239 -3.567 804 2HB GLU 108 HB1 GLU 108 -7.134 -27.344 -2.196 805 1HG GLU 108 HG2 GLU 108 -8.081 -24.725 -3.340 806 2HG GLU 108 HG1 GLU 108 -8.940 -25.588 -2.066 807 H ARG 109 HN ARG 109 -7.464 -27.688 -5.839 808 HA ARG 109 HA ARG 109 -7.272 -25.472 -7.731 809 1HB ARG 109 HB2 ARG 109 -6.838 -27.981 -8.264 810 2HB ARG 109 HB1 ARG 109 -8.586 -28.152 -8.215 811 1HG ARG 109 HG2 ARG 109 -8.750 -26.425 -9.994 812 2HG ARG 109 HG1 ARG 109 -6.988 -26.412 -10.088 813 1HD ARG 109 HD2 ARG 109 -7.740 -27.850 -11.821 814 2HD ARG 109 HD1 ARG 109 -7.111 -28.897 -10.549 815 HE ARG 109 HE ARG 109 -9.959 -28.457 -11.181 816 1HH1 ARG 109 HH11 ARG 109 -7.443 -30.390 -9.682 817 2HH1 ARG 109 HH12 ARG 109 -8.537 -31.647 -9.190 818 1HH2 ARG 109 HH21 ARG 109 -11.378 -30.124 -10.582 819 2HH2 ARG 109 HH22 ARG 109 -10.776 -31.499 -9.708 820 H SER 110 HN SER 110 -8.847 -23.976 -7.565 821 HA SER 110 HA SER 110 -11.406 -24.748 -6.361 822 1HB SER 110 HB2 SER 110 -11.691 -22.231 -6.145 823 2HB SER 110 HB1 SER 110 -10.371 -22.937 -5.213 824 HG SER 110 HG SER 110 -8.915 -22.137 -6.656 825 H GLN 111 HN GLN 111 -13.282 -24.682 -7.416 826 HA GLN 111 HA GLN 111 -13.297 -23.921 -10.244 827 1HB GLN 111 HB2 GLN 111 -15.243 -25.535 -8.578 828 2HB GLN 111 HB1 GLN 111 -15.554 -25.068 -10.242 829 1HG GLN 111 HG2 GLN 111 -14.797 -27.311 -10.248 830 2HG GLN 111 HG1 GLN 111 -13.503 -26.318 -10.908 831 1HE2 GLN 111 HE21 GLN 111 -11.595 -26.127 -9.784 832 2HE2 GLN 111 HE22 GLN 111 -11.199 -27.112 -8.421 833 H PHE 112 HN PHE 112 -14.525 -22.314 -11.028 834 HA PHE 112 HA PHE 112 -16.294 -20.839 -9.191 835 1HB PHE 112 HB2 PHE 112 -14.198 -19.664 -11.042 836 2HB PHE 112 HB1 PHE 112 -15.472 -18.715 -10.282 837 HD1 PHE 112 HD2 PHE 112 -15.438 -18.263 -7.899 838 HD2 PHE 112 HD1 PHE 112 -12.341 -20.533 -9.741 839 HE1 PHE 112 HE2 PHE 112 -14.046 -17.990 -5.890 840 HE2 PHE 112 HE1 PHE 112 -10.953 -20.264 -7.734 841 HZ PHE 112 HZ PHE 112 -11.800 -18.991 -5.804 842 H ARG 113 HN ARG 113 -18.121 -20.018 -10.102 843 HA ARG 113 HA ARG 113 -18.704 -20.836 -12.868 844 1HB ARG 113 HB2 ARG 113 -20.155 -21.840 -11.218 845 2HB ARG 113 HB1 ARG 113 -20.489 -20.275 -10.493 846 1HG ARG 113 HG2 ARG 113 -21.728 -19.583 -12.449 847 2HG ARG 113 HG1 ARG 113 -21.308 -21.084 -13.283 848 1HD ARG 113 HD2 ARG 113 -22.526 -22.380 -11.645 849 2HD ARG 113 HD1 ARG 113 -22.847 -20.934 -10.692 850 HE ARG 113 HE ARG 113 -23.868 -20.792 -13.375 851 1HH1 ARG 113 HH11 ARG 113 -24.478 -21.784 -10.080 852 2HH1 ARG 113 HH12 ARG 113 -26.202 -21.874 -10.277 853 1HH2 ARG 113 HH21 ARG 113 -26.146 -20.857 -13.646 854 2HH2 ARG 113 HH22 ARG 113 -27.152 -21.320 -12.309 855 H LYS 114 HN LYS 114 -19.536 -19.374 -14.326 856 HA LYS 114 HA LYS 114 -19.208 -16.544 -13.592 857 1HB LYS 114 HB2 LYS 114 -17.875 -17.677 -15.491 858 2HB LYS 114 HB1 LYS 114 -19.382 -17.624 -16.396 859 1HG LYS 114 HG2 LYS 114 -19.444 -15.207 -16.215 860 2HG LYS 114 HG1 LYS 114 -17.990 -15.225 -15.213 861 1HD LYS 114 HD2 LYS 114 -16.848 -16.389 -17.183 862 2HD LYS 114 HD1 LYS 114 -18.259 -15.916 -18.133 863 1HE LYS 114 HE2 LYS 114 -17.842 -13.562 -17.514 864 2HE LYS 114 HE1 LYS 114 -16.395 -14.062 -16.644 865 1HZ LYS 114 HZ1 LYS 114 -15.436 -14.855 -18.689 866 2HZ LYS 114 HZ2 LYS 114 -15.912 -13.245 -18.896 867 3HZ LYS 114 HZ3 LYS 114 -16.846 -14.493 -19.550 868 H ALA 115 HN ALA 115 -21.109 -15.735 -12.970 869 HA ALA 115 HA ALA 115 -23.510 -16.325 -14.583 870 1HB ALA 115 HB1 ALA 115 -24.817 -15.681 -12.598 871 2HB ALA 115 HB2 ALA 115 -23.319 -15.420 -11.705 872 3HB ALA 115 HB3 ALA 115 -23.741 -17.038 -12.264 873 H ARG 116 HN ARG 116 -24.107 -14.744 -15.887 874 HA ARG 116 HA ARG 116 -24.414 -12.712 -16.834 875 1HB ARG 116 HB2 ARG 116 -24.550 -11.946 -13.918 876 2HB ARG 116 HB1 ARG 116 -24.753 -10.753 -15.192 877 1HG ARG 116 HG2 ARG 116 -26.913 -11.486 -14.422 878 2HG ARG 116 HG1 ARG 116 -26.659 -12.048 -16.075 879 1HD ARG 116 HD2 ARG 116 -26.008 -14.263 -15.180 880 2HD ARG 116 HD1 ARG 116 -26.370 -13.685 -13.555 881 HE ARG 116 HE ARG 116 -28.559 -13.421 -15.410 882 1HH1 ARG 116 HH11 ARG 116 -26.985 -15.487 -13.072 883 2HH1 ARG 116 HH12 ARG 116 -28.367 -16.505 -12.838 884 1HH2 ARG 116 HH21 ARG 116 -30.391 -14.752 -15.108 885 2HH2 ARG 116 HH22 ARG 116 -30.307 -16.094 -14.009 886 H GLY 117 HN GLY 117 -21.678 -13.695 -16.254 887 1HA GLY 117 HA2 GLY 117 -19.668 -12.824 -17.108 888 2HA GLY 117 HA1 GLY 117 -20.288 -11.197 -16.876 889 H ARG 118 HN ARG 118 -21.065 -12.387 -14.034 890 HA ARG 118 HA ARG 118 -18.528 -11.571 -12.816 891 1HB ARG 118 HB2 ARG 118 -21.184 -12.130 -11.453 892 2HB ARG 118 HB1 ARG 118 -19.756 -11.446 -10.699 893 1HG ARG 118 HG2 ARG 118 -21.118 -9.601 -11.036 894 2HG ARG 118 HG1 ARG 118 -20.013 -9.532 -12.409 895 1HD ARG 118 HD2 ARG 118 -21.700 -10.550 -13.841 896 2HD ARG 118 HD1 ARG 118 -22.795 -10.711 -12.468 897 HE ARG 118 HE ARG 118 -21.887 -8.084 -13.481 898 1HH1 ARG 118 HH11 ARG 118 -24.416 -10.211 -12.308 899 2HH1 ARG 118 HH12 ARG 118 -25.662 -9.010 -12.456 900 1HH2 ARG 118 HH21 ARG 118 -23.525 -6.515 -13.684 901 2HH2 ARG 118 HH22 ARG 118 -25.160 -6.916 -13.267 902 H TRP 119 HN TRP 119 -17.425 -12.886 -11.325 903 HA TRP 119 HA TRP 119 -17.939 -15.749 -11.681 904 1HB TRP 119 HB2 TRP 119 -15.480 -14.213 -10.828 905 2HB TRP 119 HB1 TRP 119 -15.592 -15.969 -10.729 906 HD1 TRP 119 HD1 TRP 119 -15.165 -13.141 -13.245 907 HE1 TRP 119 HE1 TRP 119 -14.562 -14.154 -15.534 908 HE3 TRP 119 HE3 TRP 119 -15.998 -18.062 -12.189 909 HZ2 TRP 119 HZ2 TRP 119 -14.475 -16.701 -16.733 910 HZ3 TRP 119 HZ3 TRP 119 -15.647 -19.724 -13.964 911 HH2 TRP 119 HH2 TRP 119 -14.902 -19.058 -16.192 912 H TYR 120 HN TYR 120 -18.438 -17.065 -10.071 913 HA TYR 120 HA TYR 120 -18.380 -16.075 -7.297 914 1HB TYR 120 HB2 TYR 120 -20.616 -17.651 -8.618 915 2HB TYR 120 HB1 TYR 120 -20.528 -17.263 -6.904 916 HD1 TYR 120 HD2 TYR 120 -21.180 -15.932 -10.263 917 HD2 TYR 120 HD1 TYR 120 -20.985 -15.005 -6.109 918 HE1 TYR 120 HE2 TYR 120 -22.361 -13.818 -10.683 919 HE2 TYR 120 HE1 TYR 120 -22.167 -12.890 -6.522 920 HH TYR 120 HH TYR 120 -22.617 -11.350 -8.303 921 H PHE 121 HN PHE 121 -17.974 -17.661 -5.731 922 HA PHE 121 HA PHE 121 -16.416 -19.892 -6.595 923 1HB PHE 121 HB2 PHE 121 -15.748 -18.886 -4.558 924 2HB PHE 121 HB1 PHE 121 -17.375 -18.957 -3.888 925 HD1 PHE 121 HD1 PHE 121 -14.337 -20.889 -4.633 926 HD2 PHE 121 HD2 PHE 121 -18.224 -20.984 -2.886 927 HE1 PHE 121 HE1 PHE 121 -13.805 -23.038 -3.560 928 HE2 PHE 121 HE2 PHE 121 -17.699 -23.129 -1.815 929 HZ PHE 121 HZ PHE 121 -15.481 -24.159 -2.145 930 H SER 122 HN SER 122 -17.108 -21.857 -7.144 931 HA SER 122 HA SER 122 -19.837 -22.655 -6.405 932 1HB SER 122 HB2 SER 122 -17.978 -23.837 -8.489 933 2HB SER 122 HB1 SER 122 -19.665 -24.284 -8.227 934 HG SER 122 HG SER 122 -20.212 -22.094 -8.754 935 H GLU 123 HN GLU 123 -16.569 -24.102 -6.671 936 HA GLU 123 HA GLU 123 -16.819 -25.522 -4.207 937 1HB GLU 123 HB2 GLU 123 -16.753 -27.816 -5.255 938 2HB GLU 123 HB1 GLU 123 -18.290 -26.975 -5.407 939 1HG GLU 123 HG2 GLU 123 -17.651 -26.316 -7.712 940 2HG GLU 123 HG1 GLU 123 -16.187 -27.286 -7.547 941 H GLY 124 HN GLY 124 -15.004 -27.421 -4.309 942 1HA GLY 124 HA2 GLY 124 -12.761 -26.940 -5.997 943 2HA GLY 124 HA1 GLY 124 -12.528 -26.179 -4.428 944 H GLU 125 HN GLU 125 -10.766 -28.090 -5.150 945 HA GLU 125 HA GLU 125 -11.345 -30.196 -3.207 946 1HB GLU 125 HB2 GLU 125 -10.524 -31.963 -4.718 947 2HB GLU 125 HB1 GLU 125 -11.985 -31.206 -5.338 948 1HG GLU 125 HG2 GLU 125 -10.734 -29.949 -6.950 949 2HG GLU 125 HG1 GLU 125 -9.206 -30.473 -6.244 950 H ALA 126 HN ALA 126 -9.577 -30.816 -2.058 951 HA ALA 126 HA ALA 126 -7.274 -29.226 -2.001 952 1HB ALA 126 HB1 ALA 126 -6.366 -30.883 -0.454 953 2HB ALA 126 HB2 ALA 126 -7.619 -32.031 -0.928 954 3HB ALA 126 HB3 ALA 126 -8.058 -30.546 -0.084 955 H VAL 127 HN VAL 127 -5.473 -29.226 -3.190 956 HA VAL 127 HA VAL 127 -4.796 -31.564 -4.837 957 HB VAL 127 HB VAL 127 -5.375 -28.775 -5.858 958 1HG1 VAL 127 HG11 VAL 127 -4.492 -29.541 -8.062 959 2HG1 VAL 127 HG12 VAL 127 -3.800 -30.944 -7.244 960 3HG1 VAL 127 HG13 VAL 127 -3.256 -29.316 -6.822 961 1HG2 VAL 127 HG21 VAL 127 -7.267 -30.306 -5.817 962 2HG2 VAL 127 HG22 VAL 127 -6.346 -31.499 -6.731 963 3HG2 VAL 127 HG23 VAL 127 -6.787 -29.964 -7.479 964 H ASP 128 HN ASP 128 -2.622 -31.695 -5.428 965 HA ASP 128 HA ASP 128 -0.858 -29.469 -4.726 966 1HB ASP 128 HB2 ASP 128 -0.579 -32.296 -3.726 967 2HB ASP 128 HB1 ASP 128 0.850 -31.298 -3.973 Start of MODEL 5 1 1H MET 1 HT1 MET 1 3.140 1.150 -0.815 2 2H MET 1 HT2 MET 1 2.432 0.377 0.512 3 3H MET 1 HT3 MET 1 2.423 2.063 0.418 4 HA MET 1 HA MET 1 0.269 1.200 -0.118 5 1HB MET 1 HB2 MET 1 1.780 2.283 -2.511 6 2HB MET 1 HB1 MET 1 0.029 2.176 -2.416 7 1HG MET 1 HG2 MET 1 0.060 3.688 -0.475 8 2HG MET 1 HG1 MET 1 1.811 3.827 -0.634 9 1HE MET 1 HE1 MET 1 1.555 6.485 -0.711 10 2HE MET 1 HE2 MET 1 -0.198 6.337 -0.583 11 3HE MET 1 HE3 MET 1 0.512 7.330 -1.855 12 H ASN 2 HN ASN 2 -0.050 -0.980 -0.018 13 HA ASN 2 HA ASN 2 0.261 -2.484 -2.513 14 1HB ASN 2 HB2 ASN 2 1.345 -3.368 0.177 15 2HB ASN 2 HB1 ASN 2 1.115 -4.462 -1.183 16 1HD2 ASN 2 HD21 ASN 2 2.429 -4.234 -3.014 17 2HD2 ASN 2 HD22 ASN 2 3.933 -3.386 -2.950 18 H CYS 3 HN CYS 3 -0.607 -4.908 -1.761 19 HA CYS 3 HA CYS 3 -2.994 -4.680 -0.111 20 1HB CYS 3 HB2 CYS 3 -3.446 -4.042 -2.642 21 2HB CYS 3 HB1 CYS 3 -3.369 -5.787 -2.882 22 H VAL 4 HN VAL 4 -3.587 -6.679 0.741 23 HA VAL 4 HA VAL 4 -1.714 -8.828 0.513 24 HB VAL 4 HB VAL 4 -3.352 -10.094 1.954 25 1HG1 VAL 4 HG11 VAL 4 -2.967 -8.700 3.940 26 2HG1 VAL 4 HG12 VAL 4 -2.548 -7.337 2.900 27 3HG1 VAL 4 HG13 VAL 4 -1.532 -8.778 2.916 28 1HG2 VAL 4 HG21 VAL 4 -5.405 -9.012 1.158 29 2HG2 VAL 4 HG22 VAL 4 -4.881 -7.485 1.868 30 3HG2 VAL 4 HG23 VAL 4 -5.245 -8.863 2.908 31 H CYS 5 HN CYS 5 -2.015 -8.797 -1.885 32 HA CYS 5 HA CYS 5 -3.537 -11.082 -2.710 33 1HB CYS 5 HB2 CYS 5 -4.147 -8.517 -4.173 34 2HB CYS 5 HB1 CYS 5 -4.949 -10.072 -4.328 35 H GLY 6 HN GLY 6 -2.522 -12.062 -4.448 36 1HA GLY 6 HA2 GLY 6 -0.128 -11.129 -5.563 37 2HA GLY 6 HA1 GLY 6 -1.185 -12.330 -6.300 38 H SER 7 HN SER 7 -0.154 -9.047 -6.319 39 HA SER 7 HA SER 7 -1.316 -8.431 -8.814 40 1HB SER 7 HB2 SER 7 -2.893 -6.612 -7.933 41 2HB SER 7 HB1 SER 7 -3.441 -8.277 -7.741 42 HG SER 7 HG SER 7 -2.202 -7.928 -5.571 43 H GLY 8 HN GLY 8 -0.183 -7.109 -5.721 44 1HA GLY 8 HA2 GLY 8 1.606 -5.700 -5.321 45 2HA GLY 8 HA1 GLY 8 1.892 -5.613 -7.053 46 H LYS 9 HN LYS 9 -1.320 -4.982 -6.299 47 HA LYS 9 HA LYS 9 -0.880 -2.097 -6.677 48 1HB LYS 9 HB2 LYS 9 -3.488 -3.581 -7.072 49 2HB LYS 9 HB1 LYS 9 -3.049 -1.982 -7.667 50 1HG LYS 9 HG2 LYS 9 -1.168 -3.327 -8.918 51 2HG LYS 9 HG1 LYS 9 -2.274 -4.670 -8.689 52 1HD LYS 9 HD2 LYS 9 -3.027 -2.050 -9.989 53 2HD LYS 9 HD1 LYS 9 -2.531 -3.489 -10.878 54 1HE LYS 9 HE2 LYS 9 -4.449 -4.699 -10.156 55 2HE LYS 9 HE1 LYS 9 -4.859 -3.463 -8.963 56 1HZ LYS 9 HZ1 LYS 9 -4.875 -3.047 -11.904 57 2HZ LYS 9 HZ2 LYS 9 -5.345 -1.926 -10.725 58 3HZ LYS 9 HZ3 LYS 9 -6.250 -3.336 -10.957 59 H THR 10 HN THR 10 -2.527 -0.678 -5.586 60 HA THR 10 HA THR 10 -2.328 -1.119 -2.797 61 HB THR 10 HB THR 10 -3.570 0.984 -2.532 62 HG1 THR 10 HG1 THR 10 -3.715 1.341 -5.312 63 1HG2 THR 10 HG21 THR 10 -2.030 2.457 -3.750 64 2HG2 THR 10 HG22 THR 10 -1.518 1.096 -4.748 65 3HG2 THR 10 HG23 THR 10 -1.176 1.099 -3.018 66 H TYR 11 HN TYR 11 -4.327 -0.718 -1.348 67 HA TYR 11 HA TYR 11 -6.107 -2.875 -1.609 68 1HB TYR 11 HB2 TYR 11 -5.716 -2.001 0.581 69 2HB TYR 11 HB1 TYR 11 -6.194 -0.378 0.096 70 HD1 TYR 11 HD2 TYR 11 -7.606 -3.839 0.361 71 HD2 TYR 11 HD1 TYR 11 -8.349 0.349 0.600 72 HE1 TYR 11 HE2 TYR 11 -9.906 -4.290 1.101 73 HE2 TYR 11 HE1 TYR 11 -10.649 -0.098 1.339 74 HH TYR 11 HH TYR 11 -12.317 -1.993 1.106 75 H ASP 12 HN ASP 12 -6.699 0.606 -1.989 76 HA ASP 12 HA ASP 12 -9.374 0.353 -2.844 77 1HB ASP 12 HB2 ASP 12 -7.415 2.626 -3.277 78 2HB ASP 12 HB1 ASP 12 -9.154 2.728 -3.540 79 H ASP 13 HN ASP 13 -6.323 0.562 -4.622 80 HA ASP 13 HA ASP 13 -7.422 0.761 -7.218 81 1HB ASP 13 HB2 ASP 13 -4.978 1.110 -6.562 82 2HB ASP 13 HB1 ASP 13 -4.831 -0.639 -6.499 83 H CYS 14 HN CYS 14 -6.151 -2.035 -5.459 84 HA CYS 14 HA CYS 14 -6.987 -3.910 -7.439 85 1HB CYS 14 HB2 CYS 14 -5.108 -4.663 -6.357 86 2HB CYS 14 HB1 CYS 14 -5.615 -4.049 -4.793 87 H CYS 15 HN CYS 15 -7.934 -3.814 -3.971 88 HA CYS 15 HA CYS 15 -10.163 -5.553 -4.510 89 1HB CYS 15 HB2 CYS 15 -9.135 -4.208 -2.020 90 2HB CYS 15 HB1 CYS 15 -10.675 -5.059 -2.026 91 H GLY 16 HN GLY 16 -9.783 -2.099 -4.317 92 1HA GLY 16 HA2 GLY 16 -12.107 -1.273 -3.105 93 2HA GLY 16 HA1 GLY 16 -11.287 -0.367 -4.360 94 HA PRO 17 HA PRO 17 -14.562 -1.055 -7.222 95 1HB PRO 17 HB2 PRO 17 -13.608 -2.358 -9.414 96 2HB PRO 17 HB1 PRO 17 -13.191 -0.685 -9.031 97 1HG PRO 17 HG2 PRO 17 -11.627 -3.191 -8.505 98 2HG PRO 17 HG1 PRO 17 -11.063 -1.637 -9.149 99 1HD PRO 17 HD2 PRO 17 -10.718 -2.329 -6.559 100 2HD PRO 17 HD1 PRO 17 -11.003 -0.647 -7.056 101 H LEU 18 HN LEU 18 -12.880 -4.010 -6.409 102 HA LEU 18 HA LEU 18 -14.926 -5.790 -7.359 103 1HB LEU 18 HB2 LEU 18 -12.418 -6.088 -5.751 104 2HB LEU 18 HB1 LEU 18 -13.600 -7.379 -5.692 105 HG LEU 18 HG LEU 18 -11.855 -7.858 -7.326 106 1HD1 LEU 18 HD11 LEU 18 -13.268 -8.373 -9.239 107 2HD1 LEU 18 HD12 LEU 18 -14.515 -7.293 -8.614 108 3HD1 LEU 18 HD13 LEU 18 -14.072 -8.745 -7.715 109 1HD2 LEU 18 HD21 LEU 18 -11.244 -5.572 -7.935 110 2HD2 LEU 18 HD22 LEU 18 -12.785 -5.380 -8.775 111 3HD2 LEU 18 HD23 LEU 18 -11.600 -6.550 -9.360 112 H LEU 19 HN LEU 19 -13.883 -4.689 -4.147 113 HA LEU 19 HA LEU 19 -15.879 -6.028 -2.678 114 1HB LEU 19 HB2 LEU 19 -14.125 -3.650 -2.080 115 2HB LEU 19 HB1 LEU 19 -15.291 -4.247 -0.912 116 HG LEU 19 HG LEU 19 -13.142 -6.026 -2.074 117 1HD1 LEU 19 HD11 LEU 19 -12.045 -4.127 -0.987 118 2HD1 LEU 19 HD12 LEU 19 -11.824 -5.614 -0.067 119 3HD1 LEU 19 HD13 LEU 19 -12.996 -4.410 0.473 120 1HD2 LEU 19 HD21 LEU 19 -14.782 -6.214 0.450 121 2HD2 LEU 19 HD22 LEU 19 -13.569 -7.374 -0.100 122 3HD2 LEU 19 HD23 LEU 19 -15.048 -7.138 -1.028 123 H ALA 20 HN ALA 20 -15.806 -2.945 -4.323 124 HA ALA 20 HA ALA 20 -18.230 -1.913 -3.237 125 1HB ALA 20 HB1 ALA 20 -16.536 -0.476 -4.278 126 2HB ALA 20 HB2 ALA 20 -18.111 -0.278 -5.048 127 3HB ALA 20 HB3 ALA 20 -16.855 -1.230 -5.841 128 H ARG 21 HN ARG 21 -17.646 -4.488 -5.276 129 HA ARG 21 HA ARG 21 -18.957 -5.906 -6.451 130 1HB ARG 21 HB2 ARG 21 -21.190 -4.307 -5.177 131 2HB ARG 21 HB1 ARG 21 -21.446 -5.772 -6.115 132 1HG ARG 21 HG2 ARG 21 -19.765 -5.630 -3.614 133 2HG ARG 21 HG1 ARG 21 -21.458 -6.125 -3.656 134 1HD ARG 21 HD2 ARG 21 -19.275 -7.484 -5.241 135 2HD ARG 21 HD1 ARG 21 -19.791 -8.009 -3.639 136 HE ARG 21 HE ARG 21 -22.103 -8.142 -4.805 137 1HH1 ARG 21 HH11 ARG 21 -19.040 -8.902 -6.328 138 2HH1 ARG 21 HH12 ARG 21 -19.705 -10.137 -7.338 139 1HH2 ARG 21 HH21 ARG 21 -22.979 -9.780 -6.131 140 2HH2 ARG 21 HH22 ARG 21 -21.950 -10.644 -7.231 141 H THR 22 HN THR 22 -18.294 -3.015 -7.394 142 HA THR 22 HA THR 22 -20.274 -2.683 -9.508 143 HB THR 22 HB THR 22 -19.556 -0.643 -8.416 144 HG1 THR 22 HG1 THR 22 -19.529 -1.010 -10.999 145 1HG2 THR 22 HG21 THR 22 -17.338 -1.356 -7.656 146 2HG2 THR 22 HG22 THR 22 -17.245 0.166 -8.543 147 3HG2 THR 22 HG23 THR 22 -16.756 -1.339 -9.322 148 H ARG 23 HN ARG 23 -17.051 -3.913 -9.052 149 HA ARG 23 HA ARG 23 -16.711 -4.137 -11.973 150 1HB ARG 23 HB2 ARG 23 -14.932 -2.884 -10.833 151 2HB ARG 23 HB1 ARG 23 -14.623 -4.261 -9.784 152 1HG ARG 23 HG2 ARG 23 -13.902 -5.586 -11.702 153 2HG ARG 23 HG1 ARG 23 -14.266 -4.239 -12.784 154 1HD ARG 23 HD2 ARG 23 -12.602 -2.864 -11.568 155 2HD ARG 23 HD1 ARG 23 -12.202 -4.266 -10.580 156 HE ARG 23 HE ARG 23 -11.158 -5.263 -12.429 157 1HH1 ARG 23 HH11 ARG 23 -12.553 -2.158 -13.272 158 2HH1 ARG 23 HH12 ARG 23 -11.523 -1.935 -14.653 159 1HH2 ARG 23 HH21 ARG 23 -9.817 -4.965 -14.260 160 2HH2 ARG 23 HH22 ARG 23 -9.987 -3.525 -15.217 161 H SER 24 HN SER 24 -16.682 -6.062 -12.889 162 HA SER 24 HA SER 24 -16.780 -8.476 -11.265 163 1HB SER 24 HB2 SER 24 -17.142 -9.551 -13.554 164 2HB SER 24 HB1 SER 24 -18.387 -8.411 -13.043 165 HG SER 24 HG SER 24 -17.407 -8.258 -15.285 166 H ALA 25 HN ALA 25 -14.991 -9.635 -10.856 167 HA ALA 25 HA ALA 25 -12.424 -8.911 -11.591 168 1HB ALA 25 HB1 ALA 25 -13.416 -11.649 -10.790 169 2HB ALA 25 HB2 ALA 25 -12.887 -10.366 -9.701 170 3HB ALA 25 HB3 ALA 25 -11.730 -11.130 -10.791 171 H ALA 26 HN ALA 26 -14.709 -10.965 -13.257 172 HA ALA 26 HA ALA 26 -14.773 -11.856 -15.340 173 1HB ALA 26 HB1 ALA 26 -12.568 -9.880 -15.941 174 2HB ALA 26 HB2 ALA 26 -14.297 -9.531 -15.989 175 3HB ALA 26 HB3 ALA 26 -13.600 -10.690 -17.121 176 H SER 27 HN SER 27 -12.568 -12.663 -13.276 177 HA SER 27 HA SER 27 -11.433 -14.756 -14.891 178 1HB SER 27 HB2 SER 27 -9.604 -12.696 -13.610 179 2HB SER 27 HB1 SER 27 -9.075 -14.192 -14.381 180 HG SER 27 HG SER 27 -10.428 -13.203 -16.235 181 HA PRO 28 HA PRO 28 -12.150 -16.774 -10.975 182 1HB PRO 28 HB2 PRO 28 -10.409 -18.911 -11.396 183 2HB PRO 28 HB1 PRO 28 -12.086 -18.840 -11.946 184 1HG PRO 28 HG2 PRO 28 -9.569 -18.247 -13.456 185 2HG PRO 28 HG1 PRO 28 -11.026 -19.103 -13.998 186 1HD PRO 28 HD2 PRO 28 -10.576 -16.571 -14.724 187 2HD PRO 28 HD1 PRO 28 -12.218 -17.120 -14.320 188 H GLU 29 HN GLU 29 -8.799 -16.509 -12.159 189 HA GLU 29 HA GLU 29 -7.518 -16.735 -9.667 190 1HB GLU 29 HB2 GLU 29 -5.600 -15.585 -10.788 191 2HB GLU 29 HB1 GLU 29 -6.229 -16.958 -11.688 192 1HG GLU 29 HG2 GLU 29 -7.316 -15.549 -13.260 193 2HG GLU 29 HG1 GLU 29 -7.028 -14.117 -12.274 194 H ALA 30 HN ALA 30 -8.655 -13.897 -11.459 195 HA ALA 30 HA ALA 30 -7.740 -11.952 -9.619 196 1HB ALA 30 HB1 ALA 30 -9.994 -11.756 -11.622 197 2HB ALA 30 HB2 ALA 30 -8.294 -11.417 -11.947 198 3HB ALA 30 HB3 ALA 30 -9.194 -10.402 -10.821 199 H LEU 31 HN LEU 31 -10.688 -13.831 -9.880 200 HA LEU 31 HA LEU 31 -12.245 -12.386 -8.020 201 1HB LEU 31 HB2 LEU 31 -13.027 -14.108 -9.710 202 2HB LEU 31 HB1 LEU 31 -12.426 -15.345 -8.627 203 HG LEU 31 HG LEU 31 -14.910 -14.950 -8.551 204 1HD1 LEU 31 HD11 LEU 31 -15.113 -15.094 -6.140 205 2HD1 LEU 31 HD12 LEU 31 -13.465 -14.498 -5.945 206 3HD1 LEU 31 HD13 LEU 31 -13.754 -16.061 -6.710 207 1HD2 LEU 31 HD21 LEU 31 -14.123 -12.360 -7.215 208 2HD2 LEU 31 HD22 LEU 31 -15.759 -13.006 -7.358 209 3HD2 LEU 31 HD23 LEU 31 -14.875 -12.520 -8.803 210 H MET 32 HN MET 32 -10.190 -15.281 -7.669 211 HA MET 32 HA MET 32 -10.441 -15.543 -4.874 212 1HB MET 32 HB2 MET 32 -8.340 -16.420 -6.844 213 2HB MET 32 HB1 MET 32 -8.091 -16.650 -5.119 214 1HG MET 32 HG2 MET 32 -10.363 -17.765 -6.751 215 2HG MET 32 HG1 MET 32 -8.970 -18.659 -6.142 216 1HE MET 32 HE1 MET 32 -8.761 -17.110 -3.203 217 2HE MET 32 HE2 MET 32 -8.433 -18.820 -3.483 218 3HE MET 32 HE3 MET 32 -9.575 -18.336 -2.230 219 H ARG 33 HN ARG 33 -8.047 -13.866 -6.855 220 HA ARG 33 HA ARG 33 -6.375 -12.960 -4.824 221 1HB ARG 33 HB2 ARG 33 -5.335 -12.629 -6.801 222 2HB ARG 33 HB1 ARG 33 -6.836 -12.386 -7.670 223 1HG ARG 33 HG2 ARG 33 -5.758 -10.199 -5.931 224 2HG ARG 33 HG1 ARG 33 -5.068 -10.482 -7.529 225 1HD ARG 33 HD2 ARG 33 -7.635 -10.455 -8.235 226 2HD ARG 33 HD1 ARG 33 -7.775 -9.485 -6.769 227 HE ARG 33 HE ARG 33 -5.687 -8.633 -8.571 228 1HH1 ARG 33 HH11 ARG 33 -9.083 -8.286 -7.715 229 2HH1 ARG 33 HH12 ARG 33 -9.256 -6.775 -8.557 230 1HH2 ARG 33 HH21 ARG 33 -5.947 -6.652 -9.671 231 2HH2 ARG 33 HH22 ARG 33 -7.494 -5.858 -9.669 232 H SER 34 HN SER 34 -9.389 -11.627 -6.026 233 HA SER 34 HA SER 34 -9.179 -9.182 -4.519 234 1HB SER 34 HB2 SER 34 -11.583 -10.434 -5.871 235 2HB SER 34 HB1 SER 34 -11.459 -8.769 -5.298 236 HG SER 34 HG SER 34 -10.508 -9.907 -7.595 237 H ARG 35 HN ARG 35 -11.085 -12.189 -4.175 238 HA ARG 35 HA ARG 35 -12.464 -11.184 -1.888 239 1HB ARG 35 HB2 ARG 35 -13.620 -13.251 -1.789 240 2HB ARG 35 HB1 ARG 35 -13.435 -12.851 -3.487 241 1HG ARG 35 HG2 ARG 35 -11.700 -14.487 -3.750 242 2HG ARG 35 HG1 ARG 35 -11.658 -14.789 -2.011 243 1HD ARG 35 HD2 ARG 35 -14.016 -15.566 -2.136 244 2HD ARG 35 HD1 ARG 35 -13.953 -15.371 -3.888 245 HE ARG 35 HE ARG 35 -12.134 -17.074 -3.840 246 1HH1 ARG 35 HH11 ARG 35 -14.488 -16.939 -1.257 247 2HH1 ARG 35 HH12 ARG 35 -14.302 -18.605 -0.814 248 1HH2 ARG 35 HH21 ARG 35 -11.896 -19.276 -3.294 249 2HH2 ARG 35 HH22 ARG 35 -12.833 -19.944 -1.995 250 H TYR 36 HN TYR 36 -9.593 -13.154 -2.328 251 HA TYR 36 HA TYR 36 -9.342 -14.265 0.206 252 1HB TYR 36 HB2 TYR 36 -7.753 -14.887 -1.491 253 2HB TYR 36 HB1 TYR 36 -7.200 -13.223 -1.665 254 HD1 TYR 36 HD1 TYR 36 -7.280 -16.094 0.703 255 HD2 TYR 36 HD2 TYR 36 -5.443 -12.386 -0.318 256 HE1 TYR 36 HE1 TYR 36 -5.559 -16.479 2.415 257 HE2 TYR 36 HE2 TYR 36 -3.717 -12.767 1.391 258 HH TYR 36 HH TYR 36 -3.404 -14.032 3.433 259 H ALA 37 HN ALA 37 -8.621 -11.007 -0.908 260 HA ALA 37 HA ALA 37 -7.312 -10.054 1.384 261 1HB ALA 37 HB1 ALA 37 -7.870 -7.818 0.568 262 2HB ALA 37 HB2 ALA 37 -9.024 -8.513 -0.571 263 3HB ALA 37 HB3 ALA 37 -7.301 -8.849 -0.745 264 H ALA 38 HN ALA 38 -10.697 -10.488 0.618 265 HA ALA 38 HA ALA 38 -11.804 -8.992 2.737 266 1HB ALA 38 HB1 ALA 38 -12.951 -11.421 1.352 267 2HB ALA 38 HB2 ALA 38 -13.118 -9.752 0.805 268 3HB ALA 38 HB3 ALA 38 -13.848 -10.258 2.328 269 H TYR 39 HN TYR 39 -10.740 -12.368 2.488 270 HA TYR 39 HA TYR 39 -11.456 -13.177 5.093 271 1HB TYR 39 HB2 TYR 39 -9.553 -14.157 3.016 272 2HB TYR 39 HB1 TYR 39 -9.252 -14.688 4.664 273 HD1 TYR 39 HD2 TYR 39 -12.743 -14.145 3.965 274 HD2 TYR 39 HD1 TYR 39 -9.585 -16.980 3.614 275 HE1 TYR 39 HE2 TYR 39 -14.392 -15.950 3.705 276 HE2 TYR 39 HE1 TYR 39 -11.228 -18.786 3.356 277 HH TYR 39 HH TYR 39 -13.697 -19.153 4.040 278 H ALA 40 HN ALA 40 -8.469 -11.766 3.805 279 HA ALA 40 HA ALA 40 -7.055 -11.763 6.266 280 1HB ALA 40 HB1 ALA 40 -5.925 -11.670 4.097 281 2HB ALA 40 HB2 ALA 40 -5.454 -10.314 5.122 282 3HB ALA 40 HB3 ALA 40 -6.604 -10.068 3.806 283 H LEU 41 HN LEU 41 -9.371 -9.598 4.852 284 HA LEU 41 HA LEU 41 -8.891 -7.609 6.969 285 1HB LEU 41 HB2 LEU 41 -10.453 -7.388 4.390 286 2HB LEU 41 HB1 LEU 41 -10.301 -6.107 5.582 287 HG LEU 41 HG LEU 41 -8.028 -7.309 3.984 288 1HD1 LEU 41 HD11 LEU 41 -9.493 -5.914 2.628 289 2HD1 LEU 41 HD12 LEU 41 -7.933 -5.134 2.883 290 3HD1 LEU 41 HD13 LEU 41 -9.344 -4.601 3.797 291 1HD2 LEU 41 HD21 LEU 41 -8.020 -5.035 5.976 292 2HD2 LEU 41 HD22 LEU 41 -6.659 -5.524 4.965 293 3HD2 LEU 41 HD23 LEU 41 -7.278 -6.620 6.199 294 H LYS 42 HN LYS 42 -10.354 -10.264 6.993 295 HA LYS 42 HA LYS 42 -12.195 -11.232 7.847 296 1HB LYS 42 HB2 LYS 42 -12.920 -10.330 10.051 297 2HB LYS 42 HB1 LYS 42 -11.195 -10.584 9.893 298 1HG LYS 42 HG2 LYS 42 -12.250 -7.850 9.365 299 2HG LYS 42 HG1 LYS 42 -12.220 -8.422 11.033 300 1HD LYS 42 HD2 LYS 42 -9.854 -8.247 9.151 301 2HD LYS 42 HD1 LYS 42 -10.183 -7.187 10.522 302 1HE LYS 42 HE2 LYS 42 -10.039 -9.197 12.010 303 2HE LYS 42 HE1 LYS 42 -9.522 -10.133 10.608 304 1HZ LYS 42 HZ1 LYS 42 -8.116 -7.797 11.775 305 2HZ LYS 42 HZ2 LYS 42 -7.627 -8.617 10.381 306 3HZ LYS 42 HZ3 LYS 42 -7.627 -9.412 11.874 307 H ASP 43 HN ASP 43 -12.867 -9.337 5.707 308 HA ASP 43 HA ASP 43 -15.653 -8.778 6.479 309 1HB ASP 43 HB2 ASP 43 -14.441 -6.938 5.316 310 2HB ASP 43 HB1 ASP 43 -14.203 -7.994 3.928 311 H PHE 44 HN PHE 44 -16.149 -11.037 6.583 312 HA PHE 44 HA PHE 44 -15.798 -12.738 4.315 313 1HB PHE 44 HB2 PHE 44 -17.233 -14.341 5.565 314 2HB PHE 44 HB1 PHE 44 -15.875 -13.744 6.506 315 HD1 PHE 44 HD2 PHE 44 -16.224 -12.296 8.426 316 HD2 PHE 44 HD1 PHE 44 -19.519 -13.757 6.151 317 HE1 PHE 44 HE2 PHE 44 -17.759 -11.661 10.241 318 HE2 PHE 44 HE1 PHE 44 -21.053 -13.125 7.966 319 HZ PHE 44 HZ PHE 44 -20.174 -12.077 10.012 320 H ASP 45 HN ASP 45 -17.949 -10.289 5.040 321 HA ASP 45 HA ASP 45 -20.360 -10.989 3.896 322 1HB ASP 45 HB2 ASP 45 -20.028 -8.854 5.000 323 2HB ASP 45 HB1 ASP 45 -18.864 -8.358 3.778 324 H TYR 46 HN TYR 46 -17.574 -9.488 2.223 325 HA TYR 46 HA TYR 46 -18.675 -9.600 -0.355 326 1HB TYR 46 HB2 TYR 46 -16.750 -8.190 0.164 327 2HB TYR 46 HB1 TYR 46 -15.753 -9.606 0.463 328 HD1 TYR 46 HD1 TYR 46 -17.878 -8.136 -2.252 329 HD2 TYR 46 HD2 TYR 46 -14.368 -10.335 -1.252 330 HE1 TYR 46 HE1 TYR 46 -17.214 -8.147 -4.618 331 HE2 TYR 46 HE2 TYR 46 -13.698 -10.348 -3.617 332 HH TYR 46 HH TYR 46 -14.801 -10.154 -5.840 333 H ILE 47 HN ILE 47 -16.956 -12.004 1.519 334 HA ILE 47 HA ILE 47 -16.345 -13.822 -0.543 335 HB ILE 47 HB ILE 47 -17.015 -14.454 2.342 336 1HG1 ILE 47 HG12 ILE 47 -15.171 -12.822 2.099 337 2HG1 ILE 47 HG11 ILE 47 -14.604 -14.360 2.735 338 1HG2 ILE 47 HG21 ILE 47 -15.725 -16.513 1.978 339 2HG2 ILE 47 HG22 ILE 47 -15.508 -16.079 0.282 340 3HG2 ILE 47 HG23 ILE 47 -17.122 -16.431 0.900 341 1HD1 ILE 47 HD11 ILE 47 -13.059 -13.453 1.107 342 2HD1 ILE 47 HD12 ILE 47 -14.334 -13.419 -0.110 343 3HD1 ILE 47 HD13 ILE 47 -13.761 -14.962 0.525 344 H VAL 48 HN VAL 48 -19.162 -13.571 1.600 345 HA VAL 48 HA VAL 48 -20.580 -15.765 0.525 346 HB VAL 48 HB VAL 48 -21.799 -13.298 1.800 347 1HG1 VAL 48 HG11 VAL 48 -22.764 -16.157 1.637 348 2HG1 VAL 48 HG12 VAL 48 -23.425 -14.780 0.755 349 3HG1 VAL 48 HG13 VAL 48 -23.568 -14.851 2.511 350 1HG2 VAL 48 HG21 VAL 48 -20.702 -15.770 3.154 351 2HG2 VAL 48 HG22 VAL 48 -21.605 -14.480 3.949 352 3HG2 VAL 48 HG23 VAL 48 -20.024 -14.144 3.243 353 H GLU 49 HN GLU 49 -20.368 -12.370 -0.339 354 HA GLU 49 HA GLU 49 -22.419 -12.464 -2.346 355 1HB GLU 49 HB2 GLU 49 -20.296 -10.424 -1.672 356 2HB GLU 49 HB1 GLU 49 -21.437 -10.207 -2.993 357 1HG GLU 49 HG2 GLU 49 -22.184 -10.582 -0.094 358 2HG GLU 49 HG1 GLU 49 -22.115 -9.036 -0.941 359 H THR 50 HN THR 50 -19.299 -13.686 -2.293 360 HA THR 50 HA THR 50 -19.186 -13.630 -5.243 361 HB THR 50 HB THR 50 -16.731 -14.258 -4.947 362 HG1 THR 50 HG1 THR 50 -17.244 -13.298 -2.312 363 1HG2 THR 50 HG21 THR 50 -17.628 -11.543 -3.964 364 2HG2 THR 50 HG22 THR 50 -17.440 -12.024 -5.651 365 3HG2 THR 50 HG23 THR 50 -16.029 -11.936 -4.596 366 H THR 51 HN THR 51 -20.516 -15.445 -3.148 367 HA THR 51 HA THR 51 -19.386 -18.002 -4.036 368 HB THR 51 HB THR 51 -21.617 -17.529 -2.035 369 HG1 THR 51 HG1 THR 51 -19.298 -16.801 -1.577 370 1HG2 THR 51 HG21 THR 51 -21.590 -19.769 -3.131 371 2HG2 THR 51 HG22 THR 51 -21.249 -19.847 -1.400 372 3HG2 THR 51 HG23 THR 51 -19.933 -19.991 -2.565 373 H ASP 52 HN ASP 52 -20.741 -19.559 -5.052 374 HA ASP 52 HA ASP 52 -22.392 -18.726 -7.104 375 1HB ASP 52 HB2 ASP 52 -21.308 -20.981 -6.818 376 2HB ASP 52 HB1 ASP 52 -22.565 -21.375 -5.660 377 HA PRO 53 HA PRO 53 -26.199 -17.444 -5.204 378 1HB PRO 53 HB2 PRO 53 -27.928 -18.361 -7.208 379 2HB PRO 53 HB1 PRO 53 -27.124 -16.790 -7.180 380 1HG PRO 53 HG2 PRO 53 -26.342 -19.293 -8.613 381 2HG PRO 53 HG1 PRO 53 -26.232 -17.607 -9.154 382 1HD PRO 53 HD2 PRO 53 -24.063 -18.929 -8.320 383 2HD PRO 53 HD1 PRO 53 -24.289 -17.213 -7.919 384 H GLU 54 HN GLU 54 -25.788 -20.725 -6.383 385 HA GLU 54 HA GLU 54 -27.981 -21.743 -4.758 386 1HB GLU 54 HB2 GLU 54 -25.943 -23.216 -6.452 387 2HB GLU 54 HB1 GLU 54 -27.369 -23.928 -5.710 388 1HG GLU 54 HG2 GLU 54 -27.414 -21.763 -7.810 389 2HG GLU 54 HG1 GLU 54 -27.638 -23.483 -8.121 390 H ARG 55 HN ARG 55 -24.450 -22.130 -4.981 391 HA ARG 55 HA ARG 55 -24.205 -23.828 -2.729 392 1HB ARG 55 HB2 ARG 55 -22.073 -22.022 -3.900 393 2HB ARG 55 HB1 ARG 55 -21.807 -23.439 -2.892 394 1HG ARG 55 HG2 ARG 55 -22.998 -23.438 -5.660 395 2HG ARG 55 HG1 ARG 55 -21.353 -23.906 -5.242 396 1HD ARG 55 HD2 ARG 55 -22.112 -25.809 -4.032 397 2HD ARG 55 HD1 ARG 55 -23.787 -25.264 -4.096 398 HE ARG 55 HE ARG 55 -23.973 -26.107 -6.214 399 1HH1 ARG 55 HH11 ARG 55 -20.588 -26.129 -5.283 400 2HH1 ARG 55 HH12 ARG 55 -20.085 -27.004 -6.698 401 1HH2 ARG 55 HH21 ARG 55 -23.303 -27.287 -8.048 402 2HH2 ARG 55 HH22 ARG 55 -21.622 -27.677 -8.251 403 H ARG 56 HN ARG 56 -24.684 -20.456 -2.980 404 HA ARG 56 HA ARG 56 -23.370 -19.551 -0.664 405 1HB ARG 56 HB2 ARG 56 -24.456 -18.173 -2.566 406 2HB ARG 56 HB1 ARG 56 -25.959 -18.366 -1.672 407 1HG ARG 56 HG2 ARG 56 -24.882 -17.313 0.294 408 2HG ARG 56 HG1 ARG 56 -23.432 -17.052 -0.676 409 1HD ARG 56 HD2 ARG 56 -24.610 -15.006 -0.712 410 2HD ARG 56 HD1 ARG 56 -24.906 -15.752 -2.283 411 HE ARG 56 HE ARG 56 -27.031 -16.591 -0.904 412 1HH1 ARG 56 HH11 ARG 56 -25.605 -13.395 -1.146 413 2HH1 ARG 56 HH12 ARG 56 -27.105 -12.574 -0.867 414 1HH2 ARG 56 HH21 ARG 56 -28.989 -15.512 -0.523 415 2HH2 ARG 56 HH22 ARG 56 -29.034 -13.775 -0.513 416 H ASP 57 HN ASP 57 -26.326 -21.294 -1.145 417 HA ASP 57 HA ASP 57 -27.548 -20.815 1.366 418 1HB ASP 57 HB2 ASP 57 -28.790 -21.798 -0.506 419 2HB ASP 57 HB1 ASP 57 -27.753 -23.221 -0.472 420 H LEU 58 HN LEU 58 -24.997 -22.910 0.297 421 HA LEU 58 HA LEU 58 -24.956 -24.565 2.657 422 1HB LEU 58 HB2 LEU 58 -22.871 -24.242 0.487 423 2HB LEU 58 HB1 LEU 58 -22.929 -25.526 1.680 424 HG LEU 58 HG LEU 58 -24.958 -25.072 -0.520 425 1HD1 LEU 58 HD11 LEU 58 -22.856 -27.215 -0.194 426 2HD1 LEU 58 HD12 LEU 58 -22.827 -25.899 -1.368 427 3HD1 LEU 58 HD13 LEU 58 -24.072 -27.142 -1.471 428 1HD2 LEU 58 HD21 LEU 58 -26.010 -26.011 1.466 429 2HD2 LEU 58 HD22 LEU 58 -24.776 -27.269 1.547 430 3HD2 LEU 58 HD23 LEU 58 -25.903 -27.224 0.191 431 H PHE 59 HN PHE 59 -23.981 -21.443 1.989 432 HA PHE 59 HA PHE 59 -21.653 -21.447 3.735 433 1HB PHE 59 HB2 PHE 59 -22.891 -19.498 1.849 434 2HB PHE 59 HB1 PHE 59 -21.990 -18.834 3.206 435 HD1 PHE 59 HD1 PHE 59 -21.402 -21.809 1.007 436 HD2 PHE 59 HD2 PHE 59 -19.960 -18.070 2.458 437 HE1 PHE 59 HE1 PHE 59 -19.291 -22.148 -0.213 438 HE2 PHE 59 HE2 PHE 59 -17.855 -18.401 1.240 439 HZ PHE 59 HZ PHE 59 -17.513 -20.446 -0.097 440 H ASP 60 HN ASP 60 -21.773 -21.134 5.827 441 HA ASP 60 HA ASP 60 -24.095 -19.719 6.973 442 1HB ASP 60 HB2 ASP 60 -22.136 -21.664 8.230 443 2HB ASP 60 HB1 ASP 60 -23.307 -20.733 9.156 444 H HIS 61 HN HIS 61 -23.697 -18.067 8.515 445 HA HIS 61 HA HIS 61 -21.521 -16.389 7.768 446 1HB HIS 61 HB2 HIS 61 -23.434 -16.089 10.103 447 2HB HIS 61 HB1 HIS 61 -22.398 -14.824 9.447 448 HD1 HIS 61 HD1 HIS 61 -23.147 -13.703 7.243 449 HD2 HIS 61 HD2 HIS 61 -25.731 -16.662 8.601 450 HE1 HIS 61 HE1 HIS 61 -25.217 -13.487 5.839 451 HE2 HIS 61 HE2 HIS 61 -26.841 -15.135 6.835 452 H ASP 62 HN ASP 62 -22.270 -18.307 10.639 453 HA ASP 62 HA ASP 62 -20.010 -17.591 12.169 454 1HB ASP 62 HB2 ASP 62 -21.670 -20.130 12.208 455 2HB ASP 62 HB1 ASP 62 -20.465 -19.713 13.422 456 H VAL 63 HN VAL 63 -20.618 -20.469 10.163 457 HA VAL 63 HA VAL 63 -18.111 -21.663 10.497 458 HB VAL 63 HB VAL 63 -19.950 -21.905 8.100 459 1HG1 VAL 63 HG11 VAL 63 -18.890 -24.106 7.778 460 2HG1 VAL 63 HG12 VAL 63 -17.774 -23.754 9.099 461 3HG1 VAL 63 HG13 VAL 63 -17.729 -22.786 7.625 462 1HG2 VAL 63 HG21 VAL 63 -20.860 -23.885 9.245 463 2HG2 VAL 63 HG22 VAL 63 -21.132 -22.409 10.171 464 3HG2 VAL 63 HG23 VAL 63 -19.855 -23.528 10.650 465 H ASN 64 HN ASN 64 -19.236 -19.272 8.162 466 HA ASN 64 HA ASN 64 -16.985 -19.260 6.472 467 1HB ASN 64 HB2 ASN 64 -19.203 -18.145 6.009 468 2HB ASN 64 HB1 ASN 64 -18.745 -16.882 7.144 469 1HD2 ASN 64 HD21 ASN 64 -19.353 -16.688 4.318 470 2HD2 ASN 64 HD22 ASN 64 -17.962 -15.995 3.566 471 H ARG 65 HN ARG 65 -17.771 -17.358 9.370 472 HA ARG 65 HA ARG 65 -15.367 -15.846 9.380 473 1HB ARG 65 HB2 ARG 65 -17.559 -15.345 10.628 474 2HB ARG 65 HB1 ARG 65 -17.008 -16.504 11.832 475 1HG ARG 65 HG2 ARG 65 -14.930 -15.116 12.085 476 2HG ARG 65 HG1 ARG 65 -15.687 -13.911 11.043 477 1HD ARG 65 HD2 ARG 65 -16.175 -13.140 13.183 478 2HD ARG 65 HD1 ARG 65 -17.644 -14.004 12.734 479 HE ARG 65 HE ARG 65 -15.567 -14.979 14.588 480 1HH1 ARG 65 HH11 ARG 65 -18.836 -15.148 13.342 481 2HH1 ARG 65 HH12 ARG 65 -19.386 -16.212 14.596 482 1HH2 ARG 65 HH21 ARG 65 -16.294 -16.376 16.226 483 2HH2 ARG 65 HH22 ARG 65 -17.945 -16.917 16.220 484 H ALA 66 HN ALA 66 -16.283 -18.967 10.625 485 HA ALA 66 HA ALA 66 -14.452 -19.420 12.617 486 1HB ALA 66 HB1 ALA 66 -14.746 -21.799 12.186 487 2HB ALA 66 HB2 ALA 66 -15.433 -21.439 10.602 488 3HB ALA 66 HB3 ALA 66 -16.284 -20.944 12.065 489 H TRP 67 HN TRP 67 -13.902 -19.525 9.139 490 HA TRP 67 HA TRP 67 -11.394 -20.828 9.234 491 1HB TRP 67 HB2 TRP 67 -12.718 -19.087 7.163 492 2HB TRP 67 HB1 TRP 67 -11.075 -19.682 6.938 493 HD1 TRP 67 HD1 TRP 67 -11.022 -22.567 7.517 494 HE1 TRP 67 HE1 TRP 67 -12.536 -24.316 6.400 495 HE3 TRP 67 HE3 TRP 67 -14.789 -19.487 5.953 496 HZ2 TRP 67 HZ2 TRP 67 -15.003 -24.382 5.026 497 HZ3 TRP 67 HZ3 TRP 67 -16.690 -20.472 4.742 498 HH2 TRP 67 HH2 TRP 67 -16.794 -22.870 4.287 499 H MET 68 HN MET 68 -12.218 -17.350 9.134 500 HA MET 68 HA MET 68 -9.495 -16.506 9.294 501 1HB MET 68 HB2 MET 68 -10.339 -14.278 9.755 502 2HB MET 68 HB1 MET 68 -11.281 -15.002 8.461 503 1HG MET 68 HG2 MET 68 -13.178 -15.157 9.738 504 2HG MET 68 HG1 MET 68 -12.287 -15.239 11.255 505 1HE MET 68 HE1 MET 68 -10.323 -12.832 11.167 506 2HE MET 68 HE2 MET 68 -11.349 -13.198 12.554 507 3HE MET 68 HE3 MET 68 -11.291 -11.558 11.908 508 H GLU 69 HN GLU 69 -11.814 -17.587 11.586 509 HA GLU 69 HA GLU 69 -10.583 -16.423 13.904 510 1HB GLU 69 HB2 GLU 69 -12.591 -18.681 13.669 511 2HB GLU 69 HB1 GLU 69 -12.147 -17.864 15.162 512 1HG GLU 69 HG2 GLU 69 -13.377 -16.458 12.798 513 2HG GLU 69 HG1 GLU 69 -14.315 -17.137 14.124 514 H GLU 70 HN GLU 70 -10.444 -19.528 12.229 515 HA GLU 70 HA GLU 70 -8.846 -20.743 14.312 516 1HB GLU 70 HB2 GLU 70 -8.850 -22.735 12.953 517 2HB GLU 70 HB1 GLU 70 -10.476 -22.070 12.984 518 1HG GLU 70 HG2 GLU 70 -10.181 -21.149 10.762 519 2HG GLU 70 HG1 GLU 70 -8.509 -21.703 10.726 520 H SER 71 HN SER 71 -8.275 -19.011 11.356 521 HA SER 71 HA SER 71 -5.402 -19.235 11.799 522 1HB SER 71 HB2 SER 71 -6.694 -19.975 9.156 523 2HB SER 71 HB1 SER 71 -4.959 -19.808 9.427 524 HG SER 71 HG SER 71 -6.014 -21.439 11.282 525 H ASP 72 HN ASP 72 -4.298 -17.437 11.278 526 HA ASP 72 HA ASP 72 -5.807 -15.123 10.346 527 1HB ASP 72 HB2 ASP 72 -3.011 -15.412 11.477 528 2HB ASP 72 HB1 ASP 72 -3.697 -13.879 10.945 529 H PHE 73 HN PHE 73 -6.005 -15.060 8.178 530 HA PHE 73 HA PHE 73 -4.188 -16.231 6.366 531 1HB PHE 73 HB2 PHE 73 -6.355 -14.166 5.907 532 2HB PHE 73 HB1 PHE 73 -5.494 -15.007 4.620 533 HD1 PHE 73 HD2 PHE 73 -5.801 -17.426 4.288 534 HD2 PHE 73 HD1 PHE 73 -8.065 -15.274 7.187 535 HE1 PHE 73 HE2 PHE 73 -7.380 -19.303 4.443 536 HE2 PHE 73 HE1 PHE 73 -9.643 -17.156 7.349 537 HZ PHE 73 HZ PHE 73 -9.303 -19.171 5.977 538 H LEU 74 HN LEU 74 -2.414 -15.500 5.387 539 HA LEU 74 HA LEU 74 -1.482 -12.804 6.156 540 1HB LEU 74 HB2 LEU 74 0.154 -15.304 5.675 541 2HB LEU 74 HB1 LEU 74 0.787 -13.741 6.152 542 HG LEU 74 HG LEU 74 -1.014 -15.501 7.829 543 1HD1 LEU 74 HD11 LEU 74 1.922 -14.855 8.115 544 2HD1 LEU 74 HD12 LEU 74 1.240 -16.406 7.630 545 3HD1 LEU 74 HD13 LEU 74 0.956 -15.790 9.256 546 1HD2 LEU 74 HD21 LEU 74 -0.576 -13.890 9.629 547 2HD2 LEU 74 HD22 LEU 74 -1.434 -13.147 8.280 548 3HD2 LEU 74 HD23 LEU 74 0.294 -12.860 8.492 549 H GLU 75 HN GLU 75 -1.123 -15.323 3.649 550 HA GLU 75 HA GLU 75 -0.544 -13.270 1.642 551 1HB GLU 75 HB2 GLU 75 1.642 -13.792 2.556 552 2HB GLU 75 HB1 GLU 75 1.338 -15.516 2.405 553 1HG GLU 75 HG2 GLU 75 1.217 -15.178 -0.083 554 2HG GLU 75 HG1 GLU 75 1.778 -13.527 0.188 555 H LEU 76 HN LEU 76 -1.004 -13.910 -0.460 556 HA LEU 76 HA LEU 76 -2.082 -16.641 -0.815 557 1HB LEU 76 HB2 LEU 76 -3.821 -14.890 -0.961 558 2HB LEU 76 HB1 LEU 76 -2.913 -14.099 -2.236 559 HG LEU 76 HG LEU 76 -3.213 -16.152 -3.646 560 1HD1 LEU 76 HD11 LEU 76 -4.930 -17.776 -3.002 561 2HD1 LEU 76 HD12 LEU 76 -5.085 -16.991 -1.430 562 3HD1 LEU 76 HD13 LEU 76 -3.573 -17.783 -1.876 563 1HD2 LEU 76 HD21 LEU 76 -5.751 -14.819 -2.694 564 2HD2 LEU 76 HD22 LEU 76 -5.555 -15.707 -4.206 565 3HD2 LEU 76 HD23 LEU 76 -4.660 -14.211 -3.939 566 H ARG 77 HN ARG 77 -1.579 -17.719 -2.742 567 HA ARG 77 HA ARG 77 0.210 -16.410 -4.644 568 1HB ARG 77 HB2 ARG 77 1.765 -17.506 -3.139 569 2HB ARG 77 HB1 ARG 77 0.849 -19.009 -3.221 570 1HG ARG 77 HG2 ARG 77 1.405 -19.249 -5.575 571 2HG ARG 77 HG1 ARG 77 2.278 -17.717 -5.545 572 1HD ARG 77 HD2 ARG 77 3.861 -18.673 -3.921 573 2HD ARG 77 HD1 ARG 77 2.987 -20.207 -3.985 574 HE ARG 77 HE ARG 77 4.064 -19.098 -6.474 575 1HH1 ARG 77 HH11 ARG 77 4.298 -21.523 -3.950 576 2HH1 ARG 77 HH12 ARG 77 5.279 -22.584 -4.909 577 1HH2 ARG 77 HH21 ARG 77 5.332 -20.500 -7.719 578 2HH2 ARG 77 HH22 ARG 77 5.869 -22.010 -7.039 579 H VAL 78 HN VAL 78 -0.925 -16.573 -6.462 580 HA VAL 78 HA VAL 78 -2.635 -18.857 -6.997 581 HB VAL 78 HB VAL 78 -2.010 -16.401 -8.657 582 1HG1 VAL 78 HG11 VAL 78 -2.638 -18.266 -10.109 583 2HG1 VAL 78 HG12 VAL 78 -3.925 -17.061 -10.059 584 3HG1 VAL 78 HG13 VAL 78 -4.080 -18.556 -9.136 585 1HG2 VAL 78 HG21 VAL 78 -4.271 -15.674 -8.023 586 2HG2 VAL 78 HG22 VAL 78 -3.239 -15.893 -6.610 587 3HG2 VAL 78 HG23 VAL 78 -4.448 -17.112 -7.015 588 H LEU 79 HN LEU 79 -1.991 -20.627 -8.062 589 HA LEU 79 HA LEU 79 0.700 -20.670 -9.199 590 1HB LEU 79 HB2 LEU 79 -1.228 -22.930 -8.633 591 2HB LEU 79 HB1 LEU 79 0.429 -23.118 -9.178 592 HG LEU 79 HG LEU 79 -0.455 -21.976 -6.520 593 1HD1 LEU 79 HD11 LEU 79 0.943 -24.561 -7.208 594 2HD1 LEU 79 HD12 LEU 79 -0.725 -24.388 -6.657 595 3HD1 LEU 79 HD13 LEU 79 0.607 -23.969 -5.580 596 1HD2 LEU 79 HD21 LEU 79 2.328 -22.402 -7.617 597 2HD2 LEU 79 HD22 LEU 79 1.936 -21.935 -5.961 598 3HD2 LEU 79 HD23 LEU 79 1.556 -20.849 -7.296 599 H GLY 80 HN GLY 80 -2.599 -21.655 -10.119 600 1HA GLY 80 HA2 GLY 80 -1.935 -21.145 -12.926 601 2HA GLY 80 HA1 GLY 80 -2.444 -22.774 -12.499 602 H SER 81 HN SER 81 -3.840 -21.203 -14.331 603 HA SER 81 HA SER 81 -6.449 -21.118 -13.119 604 1HB SER 81 HB2 SER 81 -6.827 -18.702 -13.832 605 2HB SER 81 HB1 SER 81 -5.780 -18.924 -12.431 606 HG SER 81 HG SER 81 -4.911 -17.432 -13.945 607 H SER 82 HN SER 82 -8.090 -21.242 -14.620 608 HA SER 82 HA SER 82 -7.524 -20.834 -17.449 609 1HB SER 82 HB2 SER 82 -8.494 -23.488 -16.336 610 2HB SER 82 HB1 SER 82 -8.472 -23.066 -18.048 611 HG SER 82 HG SER 82 -6.076 -22.710 -16.713 612 H GLU 83 HN GLU 83 -9.213 -19.871 -18.398 613 HA GLU 83 HA GLU 83 -11.857 -20.022 -17.105 614 1HB GLU 83 HB2 GLU 83 -11.049 -17.739 -17.356 615 2HB GLU 83 HB1 GLU 83 -10.727 -18.002 -19.065 616 1HG GLU 83 HG2 GLU 83 -13.132 -18.316 -19.462 617 2HG GLU 83 HG1 GLU 83 -13.443 -18.027 -17.753 618 H LYS 84 HN LYS 84 -13.170 -21.456 -18.003 619 HA LYS 84 HA LYS 84 -12.903 -22.042 -20.880 620 1HB LYS 84 HB2 LYS 84 -14.239 -23.815 -18.825 621 2HB LYS 84 HB1 LYS 84 -13.740 -24.237 -20.456 622 1HG LYS 84 HG2 LYS 84 -11.921 -23.639 -18.128 623 2HG LYS 84 HG1 LYS 84 -12.244 -25.225 -18.830 624 1HD LYS 84 HD2 LYS 84 -10.975 -22.915 -20.308 625 2HD LYS 84 HD1 LYS 84 -10.078 -24.229 -19.550 626 1HE LYS 84 HE2 LYS 84 -11.257 -25.834 -21.020 627 2HE LYS 84 HE1 LYS 84 -12.069 -24.481 -21.810 628 1HZ LYS 84 HZ1 LYS 84 -10.120 -25.259 -23.039 629 2HZ LYS 84 HZ2 LYS 84 -9.126 -24.882 -21.723 630 3HZ LYS 84 HZ3 LYS 84 -9.945 -23.651 -22.548 631 H GLY 85 HN GLY 85 -14.163 -19.961 -20.972 632 1HA GLY 85 HA2 GLY 85 -16.112 -18.967 -21.663 633 2HA GLY 85 HA1 GLY 85 -16.870 -20.551 -21.621 634 H SER 86 HN SER 86 -18.274 -20.998 -20.020 635 HA SER 86 HA SER 86 -18.825 -18.879 -18.087 636 1HB SER 86 HB2 SER 86 -20.425 -21.371 -18.747 637 2HB SER 86 HB1 SER 86 -20.966 -20.013 -17.757 638 HG SER 86 HG SER 86 -20.167 -18.940 -19.989 639 H ARG 87 HN ARG 87 -17.155 -21.793 -18.224 640 HA ARG 87 HA ARG 87 -17.299 -22.148 -15.305 641 1HB ARG 87 HB2 ARG 87 -16.640 -24.010 -17.570 642 2HB ARG 87 HB1 ARG 87 -15.978 -24.323 -15.975 643 1HG ARG 87 HG2 ARG 87 -18.920 -23.991 -16.529 644 2HG ARG 87 HG1 ARG 87 -18.089 -25.547 -16.501 645 1HD ARG 87 HD2 ARG 87 -18.142 -23.605 -14.185 646 2HD ARG 87 HD1 ARG 87 -19.251 -24.965 -14.366 647 HE ARG 87 HE ARG 87 -16.542 -25.821 -14.526 648 1HH1 ARG 87 HH11 ARG 87 -18.952 -24.780 -12.199 649 2HH1 ARG 87 HH12 ARG 87 -18.292 -25.731 -10.902 650 1HH2 ARG 87 HH21 ARG 87 -15.697 -27.092 -12.817 651 2HH2 ARG 87 HH22 ARG 87 -16.470 -27.050 -11.258 652 H GLY 88 HN GLY 88 -15.335 -22.313 -14.135 653 1HA GLY 88 HA2 GLY 88 -12.829 -21.778 -15.505 654 2HA GLY 88 HA1 GLY 88 -13.405 -20.484 -14.460 655 H THR 89 HN THR 89 -10.996 -21.907 -14.090 656 HA THR 89 HA THR 89 -11.458 -22.900 -11.397 657 HB THR 89 HB THR 89 -9.985 -24.606 -13.428 658 HG1 THR 89 HG1 THR 89 -12.657 -24.525 -12.621 659 1HG2 THR 89 HG21 THR 89 -10.034 -26.308 -11.656 660 2HG2 THR 89 HG22 THR 89 -10.819 -25.158 -10.573 661 3HG2 THR 89 HG23 THR 89 -9.171 -24.862 -11.129 662 H VAL 90 HN VAL 90 -9.703 -22.601 -10.062 663 HA VAL 90 HA VAL 90 -7.164 -21.747 -11.246 664 HB VAL 90 HB VAL 90 -8.310 -19.651 -10.845 665 1HG1 VAL 90 HG11 VAL 90 -9.106 -18.977 -8.640 666 2HG1 VAL 90 HG12 VAL 90 -8.681 -20.562 -7.991 667 3HG1 VAL 90 HG13 VAL 90 -9.952 -20.418 -9.207 668 1HG2 VAL 90 HG21 VAL 90 -5.919 -19.678 -10.376 669 2HG2 VAL 90 HG22 VAL 90 -6.232 -20.160 -8.708 670 3HG2 VAL 90 HG23 VAL 90 -6.748 -18.573 -9.280 671 H GLU 91 HN GLU 91 -5.470 -22.577 -10.239 672 HA GLU 91 HA GLU 91 -5.856 -23.972 -7.675 673 1HB GLU 91 HB2 GLU 91 -4.998 -25.247 -9.684 674 2HB GLU 91 HB1 GLU 91 -3.562 -24.232 -9.642 675 1HG GLU 91 HG2 GLU 91 -3.057 -25.060 -7.385 676 2HG GLU 91 HG1 GLU 91 -4.481 -26.098 -7.458 677 H PHE 92 HN PHE 92 -4.702 -23.320 -5.883 678 HA PHE 92 HA PHE 92 -2.655 -21.268 -6.173 679 1HB PHE 92 HB2 PHE 92 -3.872 -19.663 -4.724 680 2HB PHE 92 HB1 PHE 92 -4.693 -19.944 -6.255 681 HD1 PHE 92 HD2 PHE 92 -6.710 -21.443 -6.307 682 HD2 PHE 92 HD1 PHE 92 -4.943 -20.120 -2.659 683 HE1 PHE 92 HE2 PHE 92 -8.775 -22.017 -5.100 684 HE2 PHE 92 HE1 PHE 92 -7.007 -20.694 -1.451 685 HZ PHE 92 HZ PHE 92 -8.925 -21.643 -2.671 686 H ILE 93 HN ILE 93 -2.137 -20.412 -3.870 687 HA ILE 93 HA ILE 93 -2.287 -22.520 -1.840 688 HB ILE 93 HB ILE 93 0.215 -21.108 -2.798 689 1HG1 ILE 93 HG12 ILE 93 -0.433 -24.033 -2.311 690 2HG1 ILE 93 HG11 ILE 93 -0.331 -23.250 -3.882 691 1HG2 ILE 93 HG21 ILE 93 -0.145 -22.583 -0.181 692 2HG2 ILE 93 HG22 ILE 93 0.160 -20.856 -0.377 693 3HG2 ILE 93 HG23 ILE 93 1.395 -22.026 -0.839 694 1HD1 ILE 93 HD11 ILE 93 1.938 -23.611 -1.936 695 2HD1 ILE 93 HD12 ILE 93 2.046 -22.827 -3.514 696 3HD1 ILE 93 HD13 ILE 93 1.662 -24.545 -3.407 697 H ALA 94 HN ALA 94 -3.180 -21.684 -0.085 698 HA ALA 94 HA ALA 94 -3.043 -18.779 0.376 699 1HB ALA 94 HB1 ALA 94 -4.967 -19.105 1.855 700 2HB ALA 94 HB2 ALA 94 -4.895 -20.846 1.575 701 3HB ALA 94 HB3 ALA 94 -5.287 -19.755 0.247 702 H ARG 95 HN ARG 95 -1.510 -18.138 1.745 703 HA ARG 95 HA ARG 95 -0.540 -19.952 3.827 704 1HB ARG 95 HB2 ARG 95 1.136 -18.756 2.427 705 2HB ARG 95 HB1 ARG 95 0.514 -17.223 3.029 706 1HG ARG 95 HG2 ARG 95 1.024 -18.466 5.373 707 2HG ARG 95 HG1 ARG 95 2.246 -19.224 4.355 708 1HD ARG 95 HD2 ARG 95 1.859 -16.250 4.709 709 2HD ARG 95 HD1 ARG 95 3.076 -17.223 5.531 710 HE ARG 95 HE ARG 95 3.020 -16.989 2.590 711 1HH1 ARG 95 HH11 ARG 95 4.709 -16.759 5.656 712 2HH1 ARG 95 HH12 ARG 95 6.236 -16.378 4.917 713 1HH2 ARG 95 HH21 ARG 95 5.010 -16.472 1.633 714 2HH2 ARG 95 HH22 ARG 95 6.416 -16.239 2.628 715 H PHE 96 HN PHE 96 -0.847 -19.620 5.937 716 HA PHE 96 HA PHE 96 -1.918 -17.128 6.966 717 1HB PHE 96 HB2 PHE 96 -3.775 -18.509 8.142 718 2HB PHE 96 HB1 PHE 96 -4.012 -18.079 6.451 719 HD1 PHE 96 HD1 PHE 96 -2.796 -20.849 8.634 720 HD2 PHE 96 HD2 PHE 96 -4.455 -19.728 4.872 721 HE1 PHE 96 HE1 PHE 96 -3.079 -23.220 8.050 722 HE2 PHE 96 HE2 PHE 96 -4.743 -22.099 4.293 723 HZ PHE 96 HZ PHE 96 -4.055 -23.847 5.885 724 H ARG 97 HN ARG 97 -1.997 -17.169 9.355 725 HA ARG 97 HA ARG 97 0.117 -18.839 10.457 726 1HB ARG 97 HB2 ARG 97 0.001 -16.373 10.930 727 2HB ARG 97 HB1 ARG 97 -1.492 -16.657 11.816 728 1HG ARG 97 HG2 ARG 97 -0.342 -17.982 13.455 729 2HG ARG 97 HG1 ARG 97 1.149 -17.937 12.508 730 1HD ARG 97 HD2 ARG 97 1.222 -16.367 14.392 731 2HD ARG 97 HD1 ARG 97 1.318 -15.533 12.842 732 HE ARG 97 HE ARG 97 -1.143 -15.678 14.481 733 1HH1 ARG 97 HH11 ARG 97 0.983 -13.958 12.293 734 2HH1 ARG 97 HH12 ARG 97 0.069 -12.486 12.359 735 1HH2 ARG 97 HH21 ARG 97 -2.343 -13.743 14.569 736 2HH2 ARG 97 HH22 ARG 97 -1.817 -12.358 13.661 737 H ARG 98 HN ARG 98 -0.404 -20.758 11.237 738 HA ARG 98 HA ARG 98 -3.169 -21.492 11.543 739 1HB ARG 98 HB2 ARG 98 -1.283 -22.900 10.509 740 2HB ARG 98 HB1 ARG 98 -0.778 -23.232 12.159 741 1HG ARG 98 HG2 ARG 98 -2.138 -25.043 11.295 742 2HG ARG 98 HG1 ARG 98 -2.970 -24.233 12.626 743 1HD ARG 98 HD2 ARG 98 -4.458 -23.128 11.152 744 2HD ARG 98 HD1 ARG 98 -3.475 -23.520 9.744 745 HE ARG 98 HE ARG 98 -4.176 -25.953 10.644 746 1HH1 ARG 98 HH11 ARG 98 -6.073 -23.084 9.960 747 2HH1 ARG 98 HH12 ARG 98 -7.499 -23.984 9.546 748 1HH2 ARG 98 HH21 ARG 98 -6.018 -27.119 10.031 749 2HH2 ARG 98 HH22 ARG 98 -7.460 -26.280 9.558 750 H GLY 99 HN GLY 99 -4.207 -20.987 13.355 751 1HA GLY 99 HA2 GLY 99 -4.742 -20.941 15.591 752 2HA GLY 99 HA1 GLY 99 -3.297 -21.893 15.910 753 H GLY 100 HN GLY 100 -2.198 -20.829 17.441 754 1HA GLY 100 HA2 GLY 100 -1.672 -17.946 17.003 755 2HA GLY 100 HA1 GLY 100 -1.869 -18.660 18.599 756 H GLY 101 HN GLY 101 -0.100 -20.071 15.894 757 1HA GLY 101 HA2 GLY 101 2.445 -19.481 17.235 758 2HA GLY 101 HA1 GLY 101 2.007 -21.163 16.989 759 HA PRO 102 HA PRO 102 4.321 -20.694 13.279 760 1HB PRO 102 HB2 PRO 102 3.954 -23.127 12.199 761 2HB PRO 102 HB1 PRO 102 4.866 -22.909 13.699 762 1HG PRO 102 HG2 PRO 102 2.018 -23.774 13.325 763 2HG PRO 102 HG1 PRO 102 3.257 -24.448 14.402 764 1HD PRO 102 HD2 PRO 102 1.324 -22.691 15.234 765 2HD PRO 102 HD1 PRO 102 2.916 -22.831 16.005 766 H GLU 103 HN GLU 103 4.158 -20.835 10.930 767 HA GLU 103 HA GLU 103 1.545 -20.036 9.941 768 1HB GLU 103 HB2 GLU 103 4.230 -20.247 8.547 769 2HB GLU 103 HB1 GLU 103 2.759 -19.628 7.811 770 1HG GLU 103 HG2 GLU 103 2.724 -17.748 9.291 771 2HG GLU 103 HG1 GLU 103 4.061 -18.400 10.232 772 H GLN 104 HN GLN 104 0.757 -20.981 7.911 773 HA GLN 104 HA GLN 104 1.691 -23.562 7.073 774 1HB GLN 104 HB2 GLN 104 0.319 -24.296 8.943 775 2HB GLN 104 HB1 GLN 104 -1.018 -23.285 8.413 776 1HG GLN 104 HG2 GLN 104 -1.281 -24.654 6.409 777 2HG GLN 104 HG1 GLN 104 0.084 -25.652 6.901 778 1HE2 GLN 104 HE21 GLN 104 -0.632 -25.682 9.709 779 2HE2 GLN 104 HE22 GLN 104 -2.009 -26.718 9.845 780 H SER 105 HN SER 105 0.842 -24.118 5.039 781 HA SER 105 HA SER 105 -0.838 -22.064 3.770 782 1HB SER 105 HB2 SER 105 0.629 -22.498 1.692 783 2HB SER 105 HB1 SER 105 1.324 -21.526 2.989 784 HG SER 105 HG SER 105 2.248 -23.797 1.951 785 H HIS 106 HN HIS 106 -2.588 -22.884 2.872 786 HA HIS 106 HA HIS 106 -2.830 -25.738 2.376 787 1HB HIS 106 HB2 HIS 106 -4.750 -23.418 2.230 788 2HB HIS 106 HB1 HIS 106 -5.155 -24.957 1.485 789 HD1 HIS 106 HD1 HIS 106 -3.805 -26.613 3.951 790 HD2 HIS 106 HD2 HIS 106 -6.773 -23.705 4.130 791 HE1 HIS 106 HE1 HIS 106 -5.035 -27.033 6.103 792 HE2 HIS 106 HE2 HIS 106 -6.914 -25.354 6.118 793 H HIS 107 HN HIS 107 -3.052 -26.665 0.363 794 HA HIS 107 HA HIS 107 -2.708 -24.895 -1.970 795 1HB HIS 107 HB2 HIS 107 -0.577 -26.033 -1.519 796 2HB HIS 107 HB1 HIS 107 -1.388 -27.591 -1.527 797 HD1 HIS 107 HD1 HIS 107 0.474 -28.088 -3.415 798 HD2 HIS 107 HD2 HIS 107 -2.544 -25.424 -4.462 799 HE1 HIS 107 HE1 HIS 107 0.523 -27.964 -5.923 800 HE2 HIS 107 HE2 HIS 107 -1.402 -26.467 -6.537 801 H GLU 108 HN GLU 108 -4.739 -24.904 -2.696 802 HA GLU 108 HA GLU 108 -5.917 -27.505 -3.405 803 1HB GLU 108 HB2 GLU 108 -8.147 -26.669 -2.784 804 2HB GLU 108 HB1 GLU 108 -7.072 -26.742 -1.398 805 1HG GLU 108 HG2 GLU 108 -7.529 -24.194 -2.925 806 2HG GLU 108 HG1 GLU 108 -8.594 -24.710 -1.621 807 H ARG 109 HN ARG 109 -8.046 -26.884 -4.751 808 HA ARG 109 HA ARG 109 -7.417 -24.783 -6.688 809 1HB ARG 109 HB2 ARG 109 -6.428 -26.828 -7.603 810 2HB ARG 109 HB1 ARG 109 -7.949 -27.685 -7.395 811 1HG ARG 109 HG2 ARG 109 -8.999 -26.430 -9.106 812 2HG ARG 109 HG1 ARG 109 -7.675 -25.264 -9.159 813 1HD ARG 109 HD2 ARG 109 -7.599 -26.818 -11.055 814 2HD ARG 109 HD1 ARG 109 -6.174 -26.964 -10.027 815 HE ARG 109 HE ARG 109 -8.375 -28.837 -9.570 816 1HH1 ARG 109 HH11 ARG 109 -5.191 -28.238 -10.904 817 2HH1 ARG 109 HH12 ARG 109 -4.787 -29.918 -11.037 818 1HH2 ARG 109 HH21 ARG 109 -7.839 -31.054 -9.727 819 2HH2 ARG 109 HH22 ARG 109 -6.289 -31.519 -10.352 820 H SER 110 HN SER 110 -9.186 -23.580 -6.948 821 HA SER 110 HA SER 110 -11.762 -24.724 -6.101 822 1HB SER 110 HB2 SER 110 -10.929 -22.778 -4.808 823 2HB SER 110 HB1 SER 110 -10.933 -21.813 -6.282 824 HG SER 110 HG SER 110 -13.318 -23.092 -5.733 825 H GLN 111 HN GLN 111 -13.433 -24.842 -7.450 826 HA GLN 111 HA GLN 111 -13.141 -23.844 -10.188 827 1HB GLN 111 HB2 GLN 111 -15.173 -25.750 -8.990 828 2HB GLN 111 HB1 GLN 111 -15.114 -25.269 -10.678 829 1HG GLN 111 HG2 GLN 111 -14.139 -27.397 -10.587 830 2HG GLN 111 HG1 GLN 111 -12.795 -26.274 -10.760 831 1HE2 GLN 111 HE21 GLN 111 -11.331 -26.058 -9.082 832 2HE2 GLN 111 HE22 GLN 111 -11.290 -27.127 -7.724 833 H PHE 112 HN PHE 112 -14.597 -22.416 -11.082 834 HA PHE 112 HA PHE 112 -16.528 -21.142 -9.253 835 1HB PHE 112 HB2 PHE 112 -14.527 -19.774 -11.076 836 2HB PHE 112 HB1 PHE 112 -15.869 -18.945 -10.297 837 HD1 PHE 112 HD1 PHE 112 -12.666 -20.678 -9.721 838 HD2 PHE 112 HD2 PHE 112 -15.787 -18.356 -7.990 839 HE1 PHE 112 HE1 PHE 112 -11.282 -20.304 -7.725 840 HE2 PHE 112 HE2 PHE 112 -14.404 -17.982 -5.994 841 HZ PHE 112 HZ PHE 112 -12.152 -18.955 -5.859 842 H ARG 113 HN ARG 113 -18.285 -20.117 -10.260 843 HA ARG 113 HA ARG 113 -18.812 -20.917 -13.046 844 1HB ARG 113 HB2 ARG 113 -20.381 -21.947 -11.511 845 2HB ARG 113 HB1 ARG 113 -20.715 -20.400 -10.746 846 1HG ARG 113 HG2 ARG 113 -21.807 -19.593 -12.743 847 2HG ARG 113 HG1 ARG 113 -21.366 -21.059 -13.621 848 1HD ARG 113 HD2 ARG 113 -22.706 -22.374 -11.986 849 2HD ARG 113 HD1 ARG 113 -23.207 -20.862 -11.230 850 HE ARG 113 HE ARG 113 -23.823 -20.728 -13.957 851 1HH1 ARG 113 HH11 ARG 113 -24.814 -22.494 -11.095 852 2HH1 ARG 113 HH12 ARG 113 -26.422 -22.775 -11.674 853 1HH2 ARG 113 HH21 ARG 113 -25.930 -21.090 -14.718 854 2HH2 ARG 113 HH22 ARG 113 -27.063 -21.977 -13.745 855 H LYS 114 HN LYS 114 -19.318 -19.364 -14.498 856 HA LYS 114 HA LYS 114 -19.032 -16.590 -13.613 857 1HB LYS 114 HB2 LYS 114 -17.723 -17.701 -15.558 858 2HB LYS 114 HB1 LYS 114 -19.213 -17.504 -16.473 859 1HG LYS 114 HG2 LYS 114 -19.132 -15.122 -16.218 860 2HG LYS 114 HG1 LYS 114 -17.775 -15.242 -15.094 861 1HD LYS 114 HD2 LYS 114 -16.506 -16.365 -17.009 862 2HD LYS 114 HD1 LYS 114 -17.808 -15.794 -18.054 863 1HE LYS 114 HE2 LYS 114 -17.359 -13.490 -17.318 864 2HE LYS 114 HE1 LYS 114 -16.034 -14.075 -16.316 865 1HZ LYS 114 HZ1 LYS 114 -16.175 -14.412 -19.266 866 2HZ LYS 114 HZ2 LYS 114 -14.873 -14.820 -18.265 867 3HZ LYS 114 HZ3 LYS 114 -15.297 -13.201 -18.483 868 H ALA 115 HN ALA 115 -20.905 -15.729 -12.984 869 HA ALA 115 HA ALA 115 -23.298 -16.148 -14.666 870 1HB ALA 115 HB1 ALA 115 -23.532 -17.290 -12.513 871 2HB ALA 115 HB2 ALA 115 -24.662 -15.942 -12.639 872 3HB ALA 115 HB3 ALA 115 -23.200 -15.778 -11.665 873 H ARG 116 HN ARG 116 -24.046 -14.361 -15.572 874 HA ARG 116 HA ARG 116 -24.502 -12.186 -16.044 875 1HB ARG 116 HB2 ARG 116 -25.190 -12.498 -13.429 876 2HB ARG 116 HB1 ARG 116 -23.980 -11.238 -13.266 877 1HG ARG 116 HG2 ARG 116 -26.427 -11.071 -15.027 878 2HG ARG 116 HG1 ARG 116 -26.287 -10.374 -13.415 879 1HD ARG 116 HD2 ARG 116 -24.358 -9.020 -14.255 880 2HD ARG 116 HD1 ARG 116 -24.708 -9.625 -15.874 881 HE ARG 116 HE ARG 116 -27.075 -8.560 -14.948 882 1HH1 ARG 116 HH11 ARG 116 -23.848 -7.417 -15.628 883 2HH1 ARG 116 HH12 ARG 116 -24.336 -5.776 -15.899 884 1HH2 ARG 116 HH21 ARG 116 -27.747 -6.399 -15.345 885 2HH2 ARG 116 HH22 ARG 116 -26.559 -5.198 -15.746 886 H GLY 117 HN GLY 117 -21.705 -13.307 -15.880 887 1HA GLY 117 HA2 GLY 117 -19.750 -12.360 -16.764 888 2HA GLY 117 HA1 GLY 117 -20.320 -10.767 -16.290 889 H ARG 118 HN ARG 118 -20.896 -12.269 -13.554 890 HA ARG 118 HA ARG 118 -18.238 -11.633 -12.479 891 1HB ARG 118 HB2 ARG 118 -20.760 -12.218 -10.902 892 2HB ARG 118 HB1 ARG 118 -19.259 -11.549 -10.287 893 1HG ARG 118 HG2 ARG 118 -20.574 -9.675 -10.399 894 2HG ARG 118 HG1 ARG 118 -19.765 -9.606 -11.966 895 1HD ARG 118 HD2 ARG 118 -21.701 -10.583 -13.047 896 2HD ARG 118 HD1 ARG 118 -22.499 -10.802 -11.490 897 HE ARG 118 HE ARG 118 -21.867 -8.152 -12.640 898 1HH1 ARG 118 HH11 ARG 118 -24.022 -10.316 -10.919 899 2HH1 ARG 118 HH12 ARG 118 -25.239 -9.105 -10.668 900 1HH2 ARG 118 HH21 ARG 118 -23.476 -6.560 -12.317 901 2HH2 ARG 118 HH22 ARG 118 -24.920 -6.972 -11.447 902 H TRP 119 HN TRP 119 -17.120 -13.090 -11.149 903 HA TRP 119 HA TRP 119 -17.750 -15.895 -11.649 904 1HB TRP 119 HB2 TRP 119 -15.284 -14.460 -10.667 905 2HB TRP 119 HB1 TRP 119 -15.440 -16.211 -10.553 906 HD1 TRP 119 HD1 TRP 119 -14.689 -13.456 -13.041 907 HE1 TRP 119 HE1 TRP 119 -14.137 -14.524 -15.324 908 HE3 TRP 119 HE3 TRP 119 -16.096 -18.250 -12.047 909 HZ2 TRP 119 HZ2 TRP 119 -14.297 -17.052 -16.534 910 HZ3 TRP 119 HZ3 TRP 119 -15.876 -19.941 -13.825 911 HH2 TRP 119 HH2 TRP 119 -14.993 -19.349 -16.025 912 H TYR 120 HN TYR 120 -18.506 -17.233 -10.161 913 HA TYR 120 HA TYR 120 -18.531 -16.384 -7.341 914 1HB TYR 120 HB2 TYR 120 -20.787 -17.640 -8.928 915 2HB TYR 120 HB1 TYR 120 -20.792 -17.474 -7.175 916 HD1 TYR 120 HD1 TYR 120 -20.675 -15.140 -6.185 917 HD2 TYR 120 HD2 TYR 120 -21.478 -15.836 -10.307 918 HE1 TYR 120 HE1 TYR 120 -21.602 -12.877 -6.380 919 HE2 TYR 120 HE2 TYR 120 -22.410 -13.568 -10.510 920 HH TYR 120 HH TYR 120 -23.408 -11.843 -9.050 921 H PHE 121 HN PHE 121 -17.902 -17.874 -5.909 922 HA PHE 121 HA PHE 121 -16.541 -20.186 -6.666 923 1HB PHE 121 HB2 PHE 121 -15.976 -19.226 -4.587 924 2HB PHE 121 HB1 PHE 121 -17.642 -19.242 -4.020 925 HD1 PHE 121 HD1 PHE 121 -14.629 -21.278 -4.580 926 HD2 PHE 121 HD2 PHE 121 -18.607 -21.229 -3.053 927 HE1 PHE 121 HE1 PHE 121 -14.226 -23.430 -3.458 928 HE2 PHE 121 HE2 PHE 121 -18.212 -23.379 -1.934 929 HZ PHE 121 HZ PHE 121 -16.015 -24.482 -2.130 930 H SER 122 HN SER 122 -17.205 -22.127 -7.280 931 HA SER 122 HA SER 122 -19.967 -22.949 -6.701 932 1HB SER 122 HB2 SER 122 -17.995 -24.057 -8.721 933 2HB SER 122 HB1 SER 122 -19.678 -24.552 -8.540 934 HG SER 122 HG SER 122 -19.380 -21.847 -8.823 935 H GLU 123 HN GLU 123 -16.801 -24.571 -7.074 936 HA GLU 123 HA GLU 123 -17.092 -25.830 -4.478 937 1HB GLU 123 HB2 GLU 123 -16.741 -28.120 -5.381 938 2HB GLU 123 HB1 GLU 123 -18.292 -27.431 -5.834 939 1HG GLU 123 HG2 GLU 123 -15.951 -27.264 -7.699 940 2HG GLU 123 HG1 GLU 123 -16.911 -28.736 -7.592 941 H GLY 124 HN GLY 124 -15.104 -27.574 -4.419 942 1HA GLY 124 HA2 GLY 124 -12.773 -27.413 -5.714 943 2HA GLY 124 HA1 GLY 124 -12.751 -25.910 -4.798 944 H GLU 125 HN GLU 125 -10.972 -28.199 -4.574 945 HA GLU 125 HA GLU 125 -11.084 -28.511 -1.699 946 1HB GLU 125 HB2 GLU 125 -11.061 -30.949 -1.702 947 2HB GLU 125 HB1 GLU 125 -12.525 -30.370 -2.486 948 1HG GLU 125 HG2 GLU 125 -11.493 -30.774 -4.683 949 2HG GLU 125 HG1 GLU 125 -10.052 -31.393 -3.879 950 H ALA 126 HN ALA 126 -9.155 -30.104 -1.084 951 HA ALA 126 HA ALA 126 -6.759 -28.945 -1.910 952 1HB ALA 126 HB1 ALA 126 -5.646 -30.797 -0.763 953 2HB ALA 126 HB2 ALA 126 -7.164 -31.693 -0.713 954 3HB ALA 126 HB3 ALA 126 -6.999 -30.187 0.189 955 H VAL 127 HN VAL 127 -5.515 -29.203 -3.642 956 HA VAL 127 HA VAL 127 -6.410 -30.892 -5.788 957 HB VAL 127 HB VAL 127 -5.558 -28.630 -6.230 958 1HG1 VAL 127 HG11 VAL 127 -3.160 -28.131 -6.074 959 2HG1 VAL 127 HG12 VAL 127 -2.886 -29.699 -5.316 960 3HG1 VAL 127 HG13 VAL 127 -3.862 -28.481 -4.494 961 1HG2 VAL 127 HG21 VAL 127 -3.855 -30.794 -7.476 962 2HG2 VAL 127 HG22 VAL 127 -4.097 -29.173 -8.126 963 3HG2 VAL 127 HG23 VAL 127 -5.457 -30.289 -8.016 964 H ASP 128 HN ASP 128 -5.226 -32.559 -6.791 965 HA ASP 128 HA ASP 128 -3.343 -33.939 -5.006 966 1HB ASP 128 HB2 ASP 128 -3.913 -35.978 -6.182 967 2HB ASP 128 HB1 ASP 128 -5.399 -35.171 -5.700 Start of MODEL 6 1 1H MET 1 HT1 MET 1 0.151 0.585 -0.293 2 2H MET 1 HT2 MET 1 1.603 1.341 0.122 3 3H MET 1 HT3 MET 1 1.459 -0.337 0.244 4 HA MET 1 HA MET 1 1.368 1.244 -2.253 5 1HB MET 1 HB2 MET 1 3.628 1.099 -1.329 6 2HB MET 1 HB1 MET 1 3.470 -0.645 -1.159 7 1HG MET 1 HG2 MET 1 3.243 -0.819 -3.624 8 2HG MET 1 HG1 MET 1 3.540 0.915 -3.736 9 1HE MET 1 HE1 MET 1 6.636 -2.150 -2.200 10 2HE MET 1 HE2 MET 1 5.071 -2.606 -2.872 11 3HE MET 1 HE3 MET 1 5.155 -1.753 -1.329 12 H ASN 2 HN ASN 2 1.897 -2.090 -1.074 13 HA ASN 2 HA ASN 2 0.665 -3.133 -3.505 14 1HB ASN 2 HB2 ASN 2 2.862 -3.983 -2.361 15 2HB ASN 2 HB1 ASN 2 1.779 -4.812 -1.251 16 1HD2 ASN 2 HD21 ASN 2 3.683 -5.952 -3.091 17 2HD2 ASN 2 HD22 ASN 2 2.789 -6.984 -4.151 18 H CYS 3 HN CYS 3 -0.249 -5.592 -2.196 19 HA CYS 3 HA CYS 3 -2.466 -4.725 -0.505 20 1HB CYS 3 HB2 CYS 3 -3.112 -4.628 -2.990 21 2HB CYS 3 HB1 CYS 3 -2.917 -6.380 -3.003 22 H VAL 4 HN VAL 4 -3.398 -6.527 0.677 23 HA VAL 4 HA VAL 4 -1.631 -8.732 1.103 24 HB VAL 4 HB VAL 4 -3.465 -9.653 2.549 25 1HG1 VAL 4 HG11 VAL 4 -2.696 -6.770 3.032 26 2HG1 VAL 4 HG12 VAL 4 -1.732 -8.187 3.450 27 3HG1 VAL 4 HG13 VAL 4 -3.274 -7.900 4.258 28 1HG2 VAL 4 HG21 VAL 4 -4.897 -7.104 1.773 29 2HG2 VAL 4 HG22 VAL 4 -5.421 -8.249 3.009 30 3HG2 VAL 4 HG23 VAL 4 -5.376 -8.737 1.314 31 H CYS 5 HN CYS 5 -1.563 -9.229 -1.188 32 HA CYS 5 HA CYS 5 -3.062 -11.553 -1.849 33 1HB CYS 5 HB2 CYS 5 -3.449 -9.186 -3.697 34 2HB CYS 5 HB1 CYS 5 -4.142 -10.791 -3.875 35 H GLY 6 HN GLY 6 -1.447 -12.791 -2.699 36 1HA GLY 6 HA2 GLY 6 0.969 -11.824 -3.749 37 2HA GLY 6 HA1 GLY 6 0.326 -13.440 -4.009 38 H SER 7 HN SER 7 0.314 -10.132 -5.213 39 HA SER 7 HA SER 7 -0.192 -11.090 -7.920 40 1HB SER 7 HB2 SER 7 -1.941 -8.940 -6.692 41 2HB SER 7 HB1 SER 7 -2.095 -9.651 -8.300 42 HG SER 7 HG SER 7 -2.264 -11.714 -6.916 43 H GLY 8 HN GLY 8 0.738 -8.512 -5.716 44 1HA GLY 8 HA2 GLY 8 2.322 -6.851 -6.030 45 2HA GLY 8 HA1 GLY 8 2.500 -7.367 -7.702 46 H LYS 9 HN LYS 9 -0.452 -6.412 -6.028 47 HA LYS 9 HA LYS 9 -0.710 -4.096 -7.846 48 1HB LYS 9 HB2 LYS 9 -2.939 -5.938 -6.939 49 2HB LYS 9 HB1 LYS 9 -3.126 -4.525 -7.959 50 1HG LYS 9 HG2 LYS 9 -1.343 -6.770 -8.816 51 2HG LYS 9 HG1 LYS 9 -3.089 -6.885 -9.012 52 1HD LYS 9 HD2 LYS 9 -1.377 -4.649 -10.107 53 2HD LYS 9 HD1 LYS 9 -1.933 -6.040 -11.039 54 1HE LYS 9 HE2 LYS 9 -4.280 -5.369 -10.511 55 2HE LYS 9 HE1 LYS 9 -3.643 -3.912 -9.749 56 1HZ LYS 9 HZ1 LYS 9 -2.661 -3.295 -11.878 57 2HZ LYS 9 HZ2 LYS 9 -4.336 -3.471 -12.003 58 3HZ LYS 9 HZ3 LYS 9 -3.315 -4.677 -12.599 59 H THR 10 HN THR 10 -1.891 -2.329 -7.002 60 HA THR 10 HA THR 10 -1.437 -1.840 -4.228 61 HB THR 10 HB THR 10 -2.484 0.327 -4.594 62 HG1 THR 10 HG1 THR 10 -3.078 0.083 -7.232 63 1HG2 THR 10 HG21 THR 10 -0.855 -0.476 -7.015 64 2HG2 THR 10 HG22 THR 10 -0.200 0.049 -5.463 65 3HG2 THR 10 HG23 THR 10 -1.129 1.174 -6.453 66 H TYR 11 HN TYR 11 -3.339 -0.855 -2.879 67 HA TYR 11 HA TYR 11 -5.282 -2.837 -2.421 68 1HB TYR 11 HB2 TYR 11 -4.628 -1.238 -0.679 69 2HB TYR 11 HB1 TYR 11 -5.304 0.089 -1.618 70 HD1 TYR 11 HD2 TYR 11 -6.354 -3.195 -0.156 71 HD2 TYR 11 HD1 TYR 11 -7.452 0.818 -1.076 72 HE1 TYR 11 HE2 TYR 11 -8.525 -3.541 0.939 73 HE2 TYR 11 HE1 TYR 11 -9.628 0.477 0.019 74 HH TYR 11 HH TYR 11 -11.117 -1.300 0.657 75 H ASP 12 HN ASP 12 -5.469 0.298 -4.060 76 HA ASP 12 HA ASP 12 -8.222 0.200 -4.699 77 1HB ASP 12 HB2 ASP 12 -6.138 1.668 -6.330 78 2HB ASP 12 HB1 ASP 12 -7.826 2.099 -6.090 79 H ASP 13 HN ASP 13 -5.350 -0.344 -6.730 80 HA ASP 13 HA ASP 13 -6.771 -0.992 -9.070 81 1HB ASP 13 HB2 ASP 13 -3.926 -1.499 -8.201 82 2HB ASP 13 HB1 ASP 13 -4.517 -2.022 -9.774 83 H CYS 14 HN CYS 14 -5.915 -2.890 -6.324 84 HA CYS 14 HA CYS 14 -6.506 -5.385 -7.733 85 1HB CYS 14 HB2 CYS 14 -4.561 -5.479 -6.347 86 2HB CYS 14 HB1 CYS 14 -5.429 -4.812 -4.972 87 H CYS 15 HN CYS 15 -7.338 -4.646 -4.356 88 HA CYS 15 HA CYS 15 -9.810 -6.073 -4.665 89 1HB CYS 15 HB2 CYS 15 -8.498 -4.730 -2.308 90 2HB CYS 15 HB1 CYS 15 -10.102 -5.448 -2.202 91 H GLY 16 HN GLY 16 -8.964 -2.770 -4.991 92 1HA GLY 16 HA2 GLY 16 -10.890 -1.412 -3.571 93 2HA GLY 16 HA1 GLY 16 -10.163 -0.821 -5.050 94 HA PRO 17 HA PRO 17 -13.938 -1.203 -7.265 95 1HB PRO 17 HB2 PRO 17 -13.628 -2.986 -9.329 96 2HB PRO 17 HB1 PRO 17 -12.957 -1.354 -9.325 97 1HG PRO 17 HG2 PRO 17 -11.616 -3.955 -8.734 98 2HG PRO 17 HG1 PRO 17 -10.998 -2.548 -9.615 99 1HD PRO 17 HD2 PRO 17 -10.318 -3.100 -7.039 100 2HD PRO 17 HD1 PRO 17 -10.393 -1.449 -7.685 101 H LEU 18 HN LEU 18 -12.671 -4.296 -6.270 102 HA LEU 18 HA LEU 18 -15.125 -5.748 -6.621 103 1HB LEU 18 HB2 LEU 18 -12.570 -6.406 -5.145 104 2HB LEU 18 HB1 LEU 18 -13.936 -7.499 -5.230 105 HG LEU 18 HG LEU 18 -12.359 -8.231 -6.852 106 1HD1 LEU 18 HD11 LEU 18 -14.690 -8.302 -7.577 107 2HD1 LEU 18 HD12 LEU 18 -13.596 -8.059 -8.938 108 3HD1 LEU 18 HD13 LEU 18 -14.522 -6.700 -8.298 109 1HD2 LEU 18 HD21 LEU 18 -11.022 -6.200 -7.031 110 2HD2 LEU 18 HD22 LEU 18 -12.314 -5.417 -7.942 111 3HD2 LEU 18 HD23 LEU 18 -11.470 -6.806 -8.626 112 H LEU 19 HN LEU 19 -13.340 -4.516 -3.798 113 HA LEU 19 HA LEU 19 -15.361 -5.288 -1.937 114 1HB LEU 19 HB2 LEU 19 -12.880 -3.601 -1.733 115 2HB LEU 19 HB1 LEU 19 -14.005 -3.715 -0.391 116 HG LEU 19 HG LEU 19 -12.632 -6.100 -1.654 117 1HD1 LEU 19 HD11 LEU 19 -10.999 -4.639 -0.572 118 2HD1 LEU 19 HD12 LEU 19 -11.221 -6.130 0.342 119 3HD1 LEU 19 HD13 LEU 19 -11.968 -4.633 0.902 120 1HD2 LEU 19 HD21 LEU 19 -14.753 -6.651 -0.598 121 2HD2 LEU 19 HD22 LEU 19 -14.250 -5.830 0.880 122 3HD2 LEU 19 HD23 LEU 19 -13.405 -7.283 0.346 123 H ALA 20 HN ALA 20 -14.827 -2.500 -3.913 124 HA ALA 20 HA ALA 20 -16.673 -0.806 -2.507 125 1HB ALA 20 HB1 ALA 20 -14.937 0.145 -3.944 126 2HB ALA 20 HB2 ALA 20 -16.542 0.629 -4.492 127 3HB ALA 20 HB3 ALA 20 -15.660 -0.635 -5.351 128 H ARG 21 HN ARG 21 -17.085 -3.610 -4.227 129 HA ARG 21 HA ARG 21 -18.810 -4.687 -5.223 130 1HB ARG 21 HB2 ARG 21 -20.270 -2.717 -3.474 131 2HB ARG 21 HB1 ARG 21 -21.168 -3.773 -4.549 132 1HG ARG 21 HG2 ARG 21 -21.187 -4.842 -2.465 133 2HG ARG 21 HG1 ARG 21 -19.991 -5.714 -3.419 134 1HD ARG 21 HD2 ARG 21 -18.187 -4.649 -2.258 135 2HD ARG 21 HD1 ARG 21 -19.292 -3.531 -1.454 136 HE ARG 21 HE ARG 21 -20.156 -6.025 -0.712 137 1HH1 ARG 21 HH11 ARG 21 -17.135 -4.272 -0.403 138 2HH1 ARG 21 HH12 ARG 21 -16.670 -5.092 1.054 139 1HH2 ARG 21 HH21 ARG 21 -19.546 -7.063 1.241 140 2HH2 ARG 21 HH22 ARG 21 -18.024 -6.653 1.982 141 H THR 22 HN THR 22 -17.602 -2.273 -6.546 142 HA THR 22 HA THR 22 -19.875 -1.207 -8.059 143 HB THR 22 HB THR 22 -18.284 0.411 -7.067 144 HG1 THR 22 HG1 THR 22 -19.204 0.369 -9.560 145 1HG2 THR 22 HG21 THR 22 -16.216 -0.890 -7.267 146 2HG2 THR 22 HG22 THR 22 -16.046 0.685 -8.043 147 3HG2 THR 22 HG23 THR 22 -16.295 -0.759 -9.025 148 H ARG 23 HN ARG 23 -17.300 -3.459 -8.391 149 HA ARG 23 HA ARG 23 -17.919 -3.746 -11.250 150 1HB ARG 23 HB2 ARG 23 -15.872 -2.410 -11.172 151 2HB ARG 23 HB1 ARG 23 -15.121 -3.581 -10.095 152 1HG ARG 23 HG2 ARG 23 -15.311 -5.284 -11.906 153 2HG ARG 23 HG1 ARG 23 -15.902 -4.012 -12.978 154 1HD ARG 23 HD2 ARG 23 -13.212 -4.071 -11.602 155 2HD ARG 23 HD1 ARG 23 -13.511 -4.434 -13.301 156 HE ARG 23 HE ARG 23 -14.487 -1.854 -12.680 157 1HH1 ARG 23 HH11 ARG 23 -11.502 -3.606 -13.219 158 2HH1 ARG 23 HH12 ARG 23 -10.608 -2.193 -13.682 159 1HH2 ARG 23 HH21 ARG 23 -13.304 0.011 -13.321 160 2HH2 ARG 23 HH22 ARG 23 -11.628 -0.150 -13.752 161 H SER 24 HN SER 24 -18.029 -5.818 -11.933 162 HA SER 24 HA SER 24 -17.371 -7.971 -10.076 163 1HB SER 24 HB2 SER 24 -18.385 -9.422 -11.886 164 2HB SER 24 HB1 SER 24 -19.485 -8.221 -11.211 165 HG SER 24 HG SER 24 -18.117 -7.233 -13.343 166 H ALA 25 HN ALA 25 -15.602 -9.254 -10.294 167 HA ALA 25 HA ALA 25 -13.345 -8.256 -11.545 168 1HB ALA 25 HB1 ALA 25 -12.258 -10.360 -10.962 169 2HB ALA 25 HB2 ALA 25 -13.834 -11.100 -10.670 170 3HB ALA 25 HB3 ALA 25 -13.276 -9.779 -9.644 171 H ALA 26 HN ALA 26 -15.690 -10.541 -12.787 172 HA ALA 26 HA ALA 26 -16.023 -11.486 -14.820 173 1HB ALA 26 HB1 ALA 26 -15.874 -9.187 -15.626 174 2HB ALA 26 HB2 ALA 26 -15.188 -10.310 -16.801 175 3HB ALA 26 HB3 ALA 26 -14.124 -9.342 -15.780 176 H SER 27 HN SER 27 -13.426 -11.994 -13.117 177 HA SER 27 HA SER 27 -12.404 -14.053 -14.892 178 1HB SER 27 HB2 SER 27 -10.911 -12.173 -15.381 179 2HB SER 27 HB1 SER 27 -10.614 -11.928 -13.661 180 HG SER 27 HG SER 27 -9.908 -14.212 -15.202 181 HA PRO 28 HA PRO 28 -12.801 -16.292 -11.094 182 1HB PRO 28 HB2 PRO 28 -10.940 -18.290 -11.624 183 2HB PRO 28 HB1 PRO 28 -12.617 -18.291 -12.179 184 1HG PRO 28 HG2 PRO 28 -10.136 -17.483 -13.646 185 2HG PRO 28 HG1 PRO 28 -11.544 -18.387 -14.236 186 1HD PRO 28 HD2 PRO 28 -11.216 -15.790 -14.815 187 2HD PRO 28 HD1 PRO 28 -12.829 -16.463 -14.491 188 H GLU 29 HN GLU 29 -9.431 -15.918 -12.244 189 HA GLU 29 HA GLU 29 -8.293 -16.161 -9.646 190 1HB GLU 29 HB2 GLU 29 -6.199 -15.430 -10.707 191 2HB GLU 29 HB1 GLU 29 -7.000 -16.676 -11.658 192 1HG GLU 29 HG2 GLU 29 -7.813 -15.034 -13.217 193 2HG GLU 29 HG1 GLU 29 -7.169 -13.723 -12.231 194 H ALA 30 HN ALA 30 -9.124 -13.394 -11.700 195 HA ALA 30 HA ALA 30 -8.013 -11.370 -10.099 196 1HB ALA 30 HB1 ALA 30 -10.418 -11.179 -11.922 197 2HB ALA 30 HB2 ALA 30 -8.735 -11.017 -12.426 198 3HB ALA 30 HB3 ALA 30 -9.446 -9.830 -11.331 199 H LEU 31 HN LEU 31 -11.091 -13.029 -10.002 200 HA LEU 31 HA LEU 31 -12.225 -11.375 -7.951 201 1HB LEU 31 HB2 LEU 31 -13.361 -12.965 -9.719 202 2HB LEU 31 HB1 LEU 31 -13.100 -14.198 -8.505 203 HG LEU 31 HG LEU 31 -14.712 -11.671 -8.094 204 1HD1 LEU 31 HD11 LEU 31 -16.658 -13.137 -8.137 205 2HD1 LEU 31 HD12 LEU 31 -15.619 -14.505 -8.541 206 3HD1 LEU 31 HD13 LEU 31 -15.786 -13.159 -9.670 207 1HD2 LEU 31 HD21 LEU 31 -13.742 -12.463 -6.005 208 2HD2 LEU 31 HD22 LEU 31 -14.352 -14.089 -6.317 209 3HD2 LEU 31 HD23 LEU 31 -15.478 -12.763 -6.029 210 H MET 32 HN MET 32 -10.554 -14.473 -8.115 211 HA MET 32 HA MET 32 -10.981 -15.290 -5.467 212 1HB MET 32 HB2 MET 32 -10.291 -16.817 -7.267 213 2HB MET 32 HB1 MET 32 -8.722 -16.029 -7.343 214 1HG MET 32 HG2 MET 32 -9.752 -17.403 -4.870 215 2HG MET 32 HG1 MET 32 -8.807 -18.222 -6.111 216 1HE MET 32 HE1 MET 32 -5.384 -16.342 -5.922 217 2HE MET 32 HE2 MET 32 -6.734 -16.041 -7.016 218 3HE MET 32 HE3 MET 32 -6.260 -17.697 -6.635 219 H ARG 33 HN ARG 33 -8.147 -13.621 -6.910 220 HA ARG 33 HA ARG 33 -6.731 -13.664 -4.442 221 1HB ARG 33 HB2 ARG 33 -4.955 -12.837 -5.563 222 2HB ARG 33 HB1 ARG 33 -5.893 -13.302 -6.966 223 1HG ARG 33 HG2 ARG 33 -5.916 -10.513 -5.821 224 2HG ARG 33 HG1 ARG 33 -4.771 -11.049 -7.047 225 1HD ARG 33 HD2 ARG 33 -6.979 -11.781 -8.303 226 2HD ARG 33 HD1 ARG 33 -7.705 -10.548 -7.267 227 HE ARG 33 HE ARG 33 -5.368 -9.925 -8.959 228 1HH1 ARG 33 HH11 ARG 33 -8.681 -9.262 -8.015 229 2HH1 ARG 33 HH12 ARG 33 -8.813 -7.862 -9.040 230 1HH2 ARG 33 HH21 ARG 33 -5.559 -8.084 -10.295 231 2HH2 ARG 33 HH22 ARG 33 -7.060 -7.206 -10.327 232 H SER 34 HN SER 34 -9.073 -11.522 -5.798 233 HA SER 34 HA SER 34 -8.671 -9.423 -3.871 234 1HB SER 34 HB2 SER 34 -11.120 -10.056 -5.552 235 2HB SER 34 HB1 SER 34 -10.798 -8.542 -4.703 236 HG SER 34 HG SER 34 -10.232 -8.870 -7.100 237 H ARG 35 HN ARG 35 -10.563 -12.343 -4.150 238 HA ARG 35 HA ARG 35 -12.371 -11.897 -2.023 239 1HB ARG 35 HB2 ARG 35 -12.434 -13.605 -3.999 240 2HB ARG 35 HB1 ARG 35 -11.485 -14.631 -2.935 241 1HG ARG 35 HG2 ARG 35 -13.271 -14.583 -1.274 242 2HG ARG 35 HG1 ARG 35 -14.217 -13.515 -2.314 243 1HD ARG 35 HD2 ARG 35 -14.137 -15.313 -4.070 244 2HD ARG 35 HD1 ARG 35 -13.412 -16.374 -2.861 245 HE ARG 35 HE ARG 35 -16.123 -15.206 -2.671 246 1HH1 ARG 35 HH11 ARG 35 -13.843 -17.765 -1.942 247 2HH1 ARG 35 HH12 ARG 35 -15.026 -18.781 -1.184 248 1HH2 ARG 35 HH21 ARG 35 -17.689 -16.554 -1.693 249 2HH2 ARG 35 HH22 ARG 35 -17.218 -18.098 -1.065 250 H TYR 36 HN TYR 36 -9.263 -13.570 -2.255 251 HA TYR 36 HA TYR 36 -9.002 -14.577 0.313 252 1HB TYR 36 HB2 TYR 36 -7.334 -15.172 -1.262 253 2HB TYR 36 HB1 TYR 36 -6.986 -13.494 -1.658 254 HD1 TYR 36 HD1 TYR 36 -6.537 -16.114 0.932 255 HD2 TYR 36 HD2 TYR 36 -5.364 -12.250 -0.426 256 HE1 TYR 36 HE1 TYR 36 -4.674 -16.115 2.537 257 HE2 TYR 36 HE2 TYR 36 -3.503 -12.243 1.177 258 HH TYR 36 HH TYR 36 -2.788 -13.285 3.178 259 H ALA 37 HN ALA 37 -8.275 -11.337 -0.897 260 HA ALA 37 HA ALA 37 -7.072 -10.326 1.428 261 1HB ALA 37 HB1 ALA 37 -7.454 -8.116 0.454 262 2HB ALA 37 HB2 ALA 37 -8.547 -8.827 -0.735 263 3HB ALA 37 HB3 ALA 37 -6.836 -9.252 -0.745 264 H ALA 38 HN ALA 38 -10.433 -10.560 0.441 265 HA ALA 38 HA ALA 38 -11.523 -8.764 2.314 266 1HB ALA 38 HB1 ALA 38 -13.657 -9.938 1.909 267 2HB ALA 38 HB2 ALA 38 -12.778 -11.181 1.017 268 3HB ALA 38 HB3 ALA 38 -12.814 -9.525 0.415 269 H TYR 39 HN TYR 39 -10.562 -12.138 2.560 270 HA TYR 39 HA TYR 39 -11.721 -12.639 5.103 271 1HB TYR 39 HB2 TYR 39 -9.733 -13.990 3.366 272 2HB TYR 39 HB1 TYR 39 -9.598 -14.337 5.086 273 HD1 TYR 39 HD2 TYR 39 -11.838 -14.553 2.157 274 HD2 TYR 39 HD1 TYR 39 -11.207 -15.703 6.202 275 HE1 TYR 39 HE2 TYR 39 -13.684 -16.160 1.987 276 HE2 TYR 39 HE1 TYR 39 -13.045 -17.324 6.037 277 HH TYR 39 HH TYR 39 -15.124 -17.607 4.629 278 H ALA 40 HN ALA 40 -8.512 -11.530 4.083 279 HA ALA 40 HA ALA 40 -7.404 -11.319 6.688 280 1HB ALA 40 HB1 ALA 40 -6.004 -11.428 4.686 281 2HB ALA 40 HB2 ALA 40 -5.653 -9.972 5.619 282 3HB ALA 40 HB3 ALA 40 -6.628 -9.867 4.152 283 H LEU 41 HN LEU 41 -9.287 -9.182 4.665 284 HA LEU 41 HA LEU 41 -9.077 -6.955 6.531 285 1HB LEU 41 HB2 LEU 41 -10.634 -7.231 3.951 286 2HB LEU 41 HB1 LEU 41 -10.479 -5.756 4.888 287 HG LEU 41 HG LEU 41 -8.222 -7.208 3.488 288 1HD1 LEU 41 HD11 LEU 41 -8.165 -5.247 2.026 289 2HD1 LEU 41 HD12 LEU 41 -9.575 -4.586 2.854 290 3HD1 LEU 41 HD13 LEU 41 -9.714 -6.083 1.931 291 1HD2 LEU 41 HD21 LEU 41 -8.193 -4.620 5.048 292 2HD2 LEU 41 HD22 LEU 41 -6.846 -5.277 4.118 293 3HD2 LEU 41 HD23 LEU 41 -7.441 -6.139 5.536 294 H LYS 42 HN LYS 42 -10.515 -9.674 6.845 295 HA LYS 42 HA LYS 42 -12.420 -10.561 7.653 296 1HB LYS 42 HB2 LYS 42 -13.152 -9.541 9.822 297 2HB LYS 42 HB1 LYS 42 -11.449 -9.923 9.702 298 1HG LYS 42 HG2 LYS 42 -12.434 -7.136 9.187 299 2HG LYS 42 HG1 LYS 42 -12.179 -7.720 10.830 300 1HD LYS 42 HD2 LYS 42 -10.100 -7.593 8.637 301 2HD LYS 42 HD1 LYS 42 -10.217 -6.512 10.021 302 1HE LYS 42 HE2 LYS 42 -9.710 -8.320 11.536 303 2HE LYS 42 HE1 LYS 42 -9.764 -9.492 10.219 304 1HZ LYS 42 HZ1 LYS 42 -7.494 -8.903 10.788 305 2HZ LYS 42 HZ2 LYS 42 -7.807 -7.271 10.474 306 3HZ LYS 42 HZ3 LYS 42 -7.858 -8.399 9.215 307 H ASP 43 HN ASP 43 -12.996 -8.851 5.430 308 HA ASP 43 HA ASP 43 -15.772 -8.116 6.076 309 1HB ASP 43 HB2 ASP 43 -14.533 -6.408 4.802 310 2HB ASP 43 HB1 ASP 43 -14.171 -7.588 3.548 311 H PHE 44 HN PHE 44 -16.207 -10.387 6.410 312 HA PHE 44 HA PHE 44 -15.851 -12.270 4.301 313 1HB PHE 44 HB2 PHE 44 -17.131 -13.821 5.724 314 2HB PHE 44 HB1 PHE 44 -15.835 -13.029 6.605 315 HD1 PHE 44 HD1 PHE 44 -19.491 -13.222 6.158 316 HD2 PHE 44 HD2 PHE 44 -16.295 -11.586 8.459 317 HE1 PHE 44 HE1 PHE 44 -21.091 -12.549 7.902 318 HE2 PHE 44 HE2 PHE 44 -17.893 -10.914 10.200 319 HZ PHE 44 HZ PHE 44 -20.294 -11.393 9.924 320 H ASP 45 HN ASP 45 -18.126 -9.845 4.807 321 HA ASP 45 HA ASP 45 -20.470 -10.944 3.722 322 1HB ASP 45 HB2 ASP 45 -20.517 -8.764 4.776 323 2HB ASP 45 HB1 ASP 45 -19.381 -8.118 3.597 324 H TYR 46 HN TYR 46 -17.799 -9.205 2.135 325 HA TYR 46 HA TYR 46 -18.697 -9.365 -0.496 326 1HB TYR 46 HB2 TYR 46 -16.828 -7.950 0.008 327 2HB TYR 46 HB1 TYR 46 -15.883 -9.295 0.632 328 HD1 TYR 46 HD1 TYR 46 -17.315 -7.855 -2.488 329 HD2 TYR 46 HD2 TYR 46 -14.504 -10.576 -0.800 330 HE1 TYR 46 HE1 TYR 46 -16.293 -8.173 -4.702 331 HE2 TYR 46 HE2 TYR 46 -13.480 -10.895 -3.008 332 HH TYR 46 HH TYR 46 -14.098 -10.674 -5.372 333 H ILE 47 HN ILE 47 -17.065 -11.736 1.492 334 HA ILE 47 HA ILE 47 -16.381 -13.607 -0.501 335 HB ILE 47 HB ILE 47 -17.165 -14.192 2.364 336 1HG1 ILE 47 HG12 ILE 47 -15.410 -12.509 2.328 337 2HG1 ILE 47 HG11 ILE 47 -14.727 -14.048 2.839 338 1HG2 ILE 47 HG21 ILE 47 -15.795 -16.200 2.118 339 2HG2 ILE 47 HG22 ILE 47 -15.445 -15.771 0.443 340 3HG2 ILE 47 HG23 ILE 47 -17.093 -16.178 0.921 341 1HD1 ILE 47 HD11 ILE 47 -14.494 -12.799 0.113 342 2HD1 ILE 47 HD12 ILE 47 -13.868 -14.387 0.560 343 3HD1 ILE 47 HD13 ILE 47 -13.227 -12.938 1.332 344 H VAL 48 HN VAL 48 -19.160 -13.485 1.694 345 HA VAL 48 HA VAL 48 -20.576 -15.665 0.700 346 HB VAL 48 HB VAL 48 -21.762 -13.125 1.853 347 1HG1 VAL 48 HG11 VAL 48 -23.630 -14.583 2.535 348 2HG1 VAL 48 HG12 VAL 48 -22.878 -15.929 1.676 349 3HG1 VAL 48 HG13 VAL 48 -23.444 -14.516 0.783 350 1HG2 VAL 48 HG21 VAL 48 -20.063 -14.062 3.340 351 2HG2 VAL 48 HG22 VAL 48 -20.844 -15.641 3.261 352 3HG2 VAL 48 HG23 VAL 48 -21.676 -14.282 4.018 353 H GLU 49 HN GLU 49 -20.724 -12.251 -0.268 354 HA GLU 49 HA GLU 49 -22.785 -12.435 -2.141 355 1HB GLU 49 HB2 GLU 49 -20.382 -10.595 -2.097 356 2HB GLU 49 HB1 GLU 49 -21.770 -10.383 -3.157 357 1HG GLU 49 HG2 GLU 49 -21.772 -10.278 -0.146 358 2HG GLU 49 HG1 GLU 49 -21.949 -8.917 -1.253 359 H THR 50 HN THR 50 -19.339 -13.083 -2.475 360 HA THR 50 HA THR 50 -19.594 -13.505 -5.346 361 HB THR 50 HB THR 50 -17.113 -13.935 -5.224 362 HG1 THR 50 HG1 THR 50 -17.195 -12.870 -2.607 363 1HG2 THR 50 HG21 THR 50 -18.073 -11.321 -4.040 364 2HG2 THR 50 HG22 THR 50 -18.008 -11.708 -5.759 365 3HG2 THR 50 HG23 THR 50 -16.517 -11.590 -4.825 366 H THR 51 HN THR 51 -20.754 -15.329 -3.169 367 HA THR 51 HA THR 51 -19.416 -17.831 -3.923 368 HB THR 51 HB THR 51 -21.578 -17.439 -1.840 369 HG1 THR 51 HG1 THR 51 -19.743 -16.349 -1.156 370 1HG2 THR 51 HG21 THR 51 -21.325 -19.735 -2.798 371 2HG2 THR 51 HG22 THR 51 -20.939 -19.647 -1.078 372 3HG2 THR 51 HG23 THR 51 -19.641 -19.727 -2.269 373 H ASP 52 HN ASP 52 -20.537 -19.505 -4.862 374 HA ASP 52 HA ASP 52 -22.457 -19.104 -6.784 375 1HB ASP 52 HB2 ASP 52 -20.983 -21.133 -6.407 376 2HB ASP 52 HB1 ASP 52 -22.121 -21.637 -5.173 377 HA PRO 53 HA PRO 53 -26.267 -18.259 -4.665 378 1HB PRO 53 HB2 PRO 53 -27.945 -19.717 -6.399 379 2HB PRO 53 HB1 PRO 53 -27.496 -18.018 -6.559 380 1HG PRO 53 HG2 PRO 53 -26.329 -20.422 -7.893 381 2HG PRO 53 HG1 PRO 53 -26.589 -18.791 -8.541 382 1HD PRO 53 HD2 PRO 53 -24.149 -19.606 -7.829 383 2HD PRO 53 HD1 PRO 53 -24.676 -17.943 -7.496 384 H GLU 54 HN GLU 54 -25.671 -21.606 -5.718 385 HA GLU 54 HA GLU 54 -27.561 -22.689 -3.828 386 1HB GLU 54 HB2 GLU 54 -25.517 -24.033 -5.612 387 2HB GLU 54 HB1 GLU 54 -26.690 -24.894 -4.622 388 1HG GLU 54 HG2 GLU 54 -28.519 -23.885 -5.865 389 2HG GLU 54 HG1 GLU 54 -27.374 -22.950 -6.824 390 H ARG 55 HN ARG 55 -24.060 -22.297 -4.003 391 HA ARG 55 HA ARG 55 -23.560 -23.854 -1.615 392 1HB ARG 55 HB2 ARG 55 -21.647 -21.893 -2.904 393 2HB ARG 55 HB1 ARG 55 -21.254 -23.286 -1.906 394 1HG ARG 55 HG2 ARG 55 -22.435 -23.392 -4.676 395 2HG ARG 55 HG1 ARG 55 -20.745 -23.661 -4.272 396 1HD ARG 55 HD2 ARG 55 -21.216 -25.675 -3.157 397 2HD ARG 55 HD1 ARG 55 -22.940 -25.318 -3.059 398 HE ARG 55 HE ARG 55 -23.134 -25.784 -5.399 399 1HH1 ARG 55 HH11 ARG 55 -19.977 -26.592 -4.088 400 2HH1 ARG 55 HH12 ARG 55 -19.631 -27.745 -5.334 401 1HH2 ARG 55 HH21 ARG 55 -22.665 -27.279 -7.026 402 2HH2 ARG 55 HH22 ARG 55 -21.161 -28.145 -7.002 403 H ARG 56 HN ARG 56 -24.375 -20.631 -2.391 404 HA ARG 56 HA ARG 56 -23.144 -19.237 -0.268 405 1HB ARG 56 HB2 ARG 56 -23.876 -18.159 -2.340 406 2HB ARG 56 HB1 ARG 56 -25.551 -18.526 -1.961 407 1HG ARG 56 HG2 ARG 56 -25.593 -16.967 -0.183 408 2HG ARG 56 HG1 ARG 56 -23.835 -16.796 -0.196 409 1HD ARG 56 HD2 ARG 56 -24.955 -14.870 -1.232 410 2HD ARG 56 HD1 ARG 56 -23.925 -15.727 -2.377 411 HE ARG 56 HE ARG 56 -26.842 -16.181 -2.302 412 1HH1 ARG 56 HH11 ARG 56 -23.919 -15.401 -4.084 413 2HH1 ARG 56 HH12 ARG 56 -24.736 -15.286 -5.610 414 1HH2 ARG 56 HH21 ARG 56 -27.903 -16.023 -4.329 415 2HH2 ARG 56 HH22 ARG 56 -26.980 -15.627 -5.745 416 H ASP 57 HN ASP 57 -26.061 -21.086 -0.495 417 HA ASP 57 HA ASP 57 -27.415 -20.008 1.752 418 1HB ASP 57 HB2 ASP 57 -28.491 -21.440 -0.002 419 2HB ASP 57 HB1 ASP 57 -27.625 -22.827 0.652 420 H LEU 58 HN LEU 58 -24.881 -22.350 1.349 421 HA LEU 58 HA LEU 58 -25.037 -23.484 3.975 422 1HB LEU 58 HB2 LEU 58 -22.734 -23.478 2.012 423 2HB LEU 58 HB1 LEU 58 -22.880 -24.514 3.420 424 HG LEU 58 HG LEU 58 -24.704 -24.579 1.006 425 1HD1 LEU 58 HD11 LEU 58 -22.467 -25.403 0.487 426 2HD1 LEU 58 HD12 LEU 58 -23.641 -26.717 0.499 427 3HD1 LEU 58 HD13 LEU 58 -22.541 -26.505 1.862 428 1HD2 LEU 58 HD21 LEU 58 -24.596 -26.367 3.439 429 2HD2 LEU 58 HD22 LEU 58 -25.600 -26.631 2.013 430 3HD2 LEU 58 HD23 LEU 58 -25.878 -25.224 3.037 431 H PHE 59 HN PHE 59 -23.656 -20.648 2.612 432 HA PHE 59 HA PHE 59 -21.570 -20.259 4.517 433 1HB PHE 59 HB2 PHE 59 -22.838 -18.544 2.403 434 2HB PHE 59 HB1 PHE 59 -21.766 -17.811 3.591 435 HD1 PHE 59 HD1 PHE 59 -21.587 -21.099 1.813 436 HD2 PHE 59 HD2 PHE 59 -19.797 -17.296 2.517 437 HE1 PHE 59 HE1 PHE 59 -19.632 -21.773 0.481 438 HE2 PHE 59 HE2 PHE 59 -17.847 -17.965 1.184 439 HZ PHE 59 HZ PHE 59 -17.758 -20.207 0.165 440 H ASP 60 HN ASP 60 -22.321 -20.340 6.577 441 HA ASP 60 HA ASP 60 -24.329 -18.435 7.475 442 1HB ASP 60 HB2 ASP 60 -24.366 -20.553 8.609 443 2HB ASP 60 HB1 ASP 60 -22.636 -20.481 8.930 444 H HIS 61 HN HIS 61 -23.864 -16.738 8.961 445 HA HIS 61 HA HIS 61 -21.665 -15.162 8.240 446 1HB HIS 61 HB2 HIS 61 -23.374 -14.950 10.736 447 2HB HIS 61 HB1 HIS 61 -22.340 -13.679 10.090 448 HD1 HIS 61 HD1 HIS 61 -25.753 -14.548 10.195 449 HD2 HIS 61 HD2 HIS 61 -23.237 -13.168 7.185 450 HE1 HIS 61 HE1 HIS 61 -27.265 -13.568 8.446 451 HE2 HIS 61 HE2 HIS 61 -25.732 -12.934 6.550 452 H ASP 62 HN ASP 62 -22.245 -16.990 11.242 453 HA ASP 62 HA ASP 62 -19.803 -16.288 12.487 454 1HB ASP 62 HB2 ASP 62 -21.650 -18.643 12.960 455 2HB ASP 62 HB1 ASP 62 -20.306 -18.212 14.010 456 H VAL 63 HN VAL 63 -20.819 -19.139 10.649 457 HA VAL 63 HA VAL 63 -18.439 -20.621 10.936 458 HB VAL 63 HB VAL 63 -20.468 -20.709 8.686 459 1HG1 VAL 63 HG11 VAL 63 -18.339 -22.713 9.457 460 2HG1 VAL 63 HG12 VAL 63 -18.369 -21.733 7.990 461 3HG1 VAL 63 HG13 VAL 63 -19.598 -22.972 8.248 462 1HG2 VAL 63 HG21 VAL 63 -21.470 -21.154 10.861 463 2HG2 VAL 63 HG22 VAL 63 -20.227 -22.355 11.212 464 3HG2 VAL 63 HG23 VAL 63 -21.388 -22.641 9.915 465 H ASN 64 HN ASN 64 -19.476 -18.291 8.481 466 HA ASN 64 HA ASN 64 -17.262 -18.630 6.752 467 1HB ASN 64 HB2 ASN 64 -19.466 -17.494 6.187 468 2HB ASN 64 HB1 ASN 64 -18.884 -16.091 7.077 469 1HD2 ASN 64 HD21 ASN 64 -18.944 -14.802 5.232 470 2HD2 ASN 64 HD22 ASN 64 -17.783 -14.953 3.965 471 H ARG 65 HN ARG 65 -17.829 -16.659 9.593 472 HA ARG 65 HA ARG 65 -15.365 -15.206 9.471 473 1HB ARG 65 HB2 ARG 65 -17.113 -14.243 10.780 474 2HB ARG 65 HB1 ARG 65 -17.349 -15.731 11.690 475 1HG ARG 65 HG2 ARG 65 -15.198 -15.451 12.771 476 2HG ARG 65 HG1 ARG 65 -14.873 -14.012 11.810 477 1HD ARG 65 HD2 ARG 65 -16.617 -12.798 12.912 478 2HD ARG 65 HD1 ARG 65 -17.204 -14.260 13.711 479 HE ARG 65 HE ARG 65 -14.980 -14.281 14.875 480 1HH1 ARG 65 HH11 ARG 65 -16.343 -11.275 13.715 481 2HH1 ARG 65 HH12 ARG 65 -15.522 -10.306 14.894 482 1HH2 ARG 65 HH21 ARG 65 -13.891 -13.016 16.411 483 2HH2 ARG 65 HH22 ARG 65 -14.120 -11.297 16.438 484 H ALA 66 HN ALA 66 -16.423 -18.224 10.922 485 HA ALA 66 HA ALA 66 -14.481 -18.691 12.801 486 1HB ALA 66 HB1 ALA 66 -16.460 -20.108 12.469 487 2HB ALA 66 HB2 ALA 66 -14.978 -21.059 12.574 488 3HB ALA 66 HB3 ALA 66 -15.731 -20.772 11.006 489 H TRP 67 HN TRP 67 -14.284 -19.308 9.320 490 HA TRP 67 HA TRP 67 -11.899 -20.780 9.329 491 1HB TRP 67 HB2 TRP 67 -13.376 -20.703 7.378 492 2HB TRP 67 HB1 TRP 67 -13.016 -18.995 7.150 493 HD1 TRP 67 HD1 TRP 67 -11.149 -18.499 5.460 494 HE1 TRP 67 HE1 TRP 67 -9.238 -19.830 4.373 495 HE3 TRP 67 HE3 TRP 67 -11.639 -22.891 8.039 496 HZ2 TRP 67 HZ2 TRP 67 -8.083 -22.392 4.577 497 HZ3 TRP 67 HZ3 TRP 67 -10.085 -24.731 7.530 498 HH2 TRP 67 HH2 TRP 67 -8.345 -24.485 5.834 499 H MET 68 HN MET 68 -12.401 -17.262 8.892 500 HA MET 68 HA MET 68 -9.607 -16.737 8.577 501 1HB MET 68 HB2 MET 68 -10.167 -14.392 8.621 502 2HB MET 68 HB1 MET 68 -11.356 -15.241 7.650 503 1HG MET 68 HG2 MET 68 -12.939 -15.159 9.508 504 2HG MET 68 HG1 MET 68 -11.742 -14.316 10.492 505 1HE MET 68 HE1 MET 68 -13.408 -12.338 11.002 506 2HE MET 68 HE2 MET 68 -14.661 -13.167 10.078 507 3HE MET 68 HE3 MET 68 -14.311 -11.468 9.762 508 H GLU 69 HN GLU 69 -11.642 -17.210 11.279 509 HA GLU 69 HA GLU 69 -10.051 -15.804 13.203 510 1HB GLU 69 HB2 GLU 69 -12.127 -17.982 13.558 511 2HB GLU 69 HB1 GLU 69 -11.425 -17.039 14.867 512 1HG GLU 69 HG2 GLU 69 -13.000 -15.884 12.574 513 2HG GLU 69 HG1 GLU 69 -13.670 -16.253 14.158 514 H GLU 70 HN GLU 70 -10.319 -19.175 12.137 515 HA GLU 70 HA GLU 70 -8.214 -20.031 13.942 516 1HB GLU 70 HB2 GLU 70 -8.545 -22.259 12.889 517 2HB GLU 70 HB1 GLU 70 -10.025 -21.581 13.553 518 1HG GLU 70 HG2 GLU 70 -10.757 -20.934 11.327 519 2HG GLU 70 HG1 GLU 70 -9.248 -21.530 10.639 520 H SER 71 HN SER 71 -8.485 -18.848 10.741 521 HA SER 71 HA SER 71 -5.727 -19.698 10.133 522 1HB SER 71 HB2 SER 71 -7.891 -18.905 8.162 523 2HB SER 71 HB1 SER 71 -6.297 -19.558 7.778 524 HG SER 71 HG SER 71 -8.560 -20.844 8.808 525 H ASP 72 HN ASP 72 -4.600 -18.010 10.987 526 HA ASP 72 HA ASP 72 -5.278 -15.253 10.515 527 1HB ASP 72 HB2 ASP 72 -4.052 -16.025 12.549 528 2HB ASP 72 HB1 ASP 72 -2.695 -16.475 11.534 529 H PHE 73 HN PHE 73 -5.338 -14.937 8.291 530 HA PHE 73 HA PHE 73 -3.623 -16.156 6.452 531 1HB PHE 73 HB2 PHE 73 -5.324 -13.672 6.195 532 2HB PHE 73 HB1 PHE 73 -4.480 -14.417 4.838 533 HD1 PHE 73 HD2 PHE 73 -5.045 -16.772 4.191 534 HD2 PHE 73 HD1 PHE 73 -7.388 -14.546 6.967 535 HE1 PHE 73 HE2 PHE 73 -6.908 -18.344 3.874 536 HE2 PHE 73 HE1 PHE 73 -9.249 -16.121 6.656 537 HZ PHE 73 HZ PHE 73 -9.011 -18.020 5.109 538 H LEU 74 HN LEU 74 -1.688 -15.736 5.677 539 HA LEU 74 HA LEU 74 -0.262 -13.366 6.703 540 1HB LEU 74 HB2 LEU 74 0.838 -16.076 5.922 541 2HB LEU 74 HB1 LEU 74 1.781 -14.728 6.532 542 HG LEU 74 HG LEU 74 -0.362 -16.195 8.085 543 1HD1 LEU 74 HD11 LEU 74 1.597 -17.593 7.712 544 2HD1 LEU 74 HD12 LEU 74 1.489 -17.097 9.400 545 3HD1 LEU 74 HD13 LEU 74 2.645 -16.311 8.324 546 1HD2 LEU 74 HD21 LEU 74 1.578 -14.050 8.958 547 2HD2 LEU 74 HD22 LEU 74 0.465 -14.928 10.008 548 3HD2 LEU 74 HD23 LEU 74 -0.164 -13.857 8.758 549 H GLU 75 HN GLU 75 -0.405 -15.612 3.927 550 HA GLU 75 HA GLU 75 -0.108 -13.455 2.065 551 1HB GLU 75 HB2 GLU 75 2.239 -13.766 2.789 552 2HB GLU 75 HB1 GLU 75 2.160 -15.450 2.291 553 1HG GLU 75 HG2 GLU 75 1.915 -14.831 -0.010 554 2HG GLU 75 HG1 GLU 75 1.739 -13.129 0.415 555 H LEU 76 HN LEU 76 -0.477 -14.071 -0.080 556 HA LEU 76 HA LEU 76 -1.663 -16.751 -0.400 557 1HB LEU 76 HB2 LEU 76 -3.192 -14.837 -0.715 558 2HB LEU 76 HB1 LEU 76 -2.139 -14.202 -1.965 559 HG LEU 76 HG LEU 76 -2.597 -16.244 -3.330 560 1HD1 LEU 76 HD11 LEU 76 -3.177 -17.773 -1.523 561 2HD1 LEU 76 HD12 LEU 76 -4.473 -17.685 -2.715 562 3HD1 LEU 76 HD13 LEU 76 -4.631 -16.834 -1.178 563 1HD2 LEU 76 HD21 LEU 76 -3.843 -14.179 -3.718 564 2HD2 LEU 76 HD22 LEU 76 -5.036 -14.660 -2.511 565 3HD2 LEU 76 HD23 LEU 76 -4.858 -15.594 -3.997 566 H ARG 77 HN ARG 77 -1.001 -18.067 -2.055 567 HA ARG 77 HA ARG 77 1.048 -17.043 -3.904 568 1HB ARG 77 HB2 ARG 77 2.218 -18.356 -2.226 569 2HB ARG 77 HB1 ARG 77 1.086 -19.688 -2.419 570 1HG ARG 77 HG2 ARG 77 1.908 -20.155 -4.624 571 2HG ARG 77 HG1 ARG 77 2.908 -18.701 -4.611 572 1HD ARG 77 HD2 ARG 77 3.242 -20.998 -2.679 573 2HD ARG 77 HD1 ARG 77 4.153 -20.835 -4.180 574 HE ARG 77 HE ARG 77 4.576 -18.468 -2.915 575 1HH1 ARG 77 HH11 ARG 77 5.013 -21.815 -1.949 576 2HH1 ARG 77 HH12 ARG 77 6.329 -21.453 -0.876 577 1HH2 ARG 77 HH21 ARG 77 6.335 -18.017 -1.535 578 2HH2 ARG 77 HH22 ARG 77 7.071 -19.305 -0.631 579 H VAL 78 HN VAL 78 -0.153 -16.903 -5.692 580 HA VAL 78 HA VAL 78 -2.168 -18.867 -6.359 581 HB VAL 78 HB VAL 78 -1.146 -16.496 -7.938 582 1HG1 VAL 78 HG11 VAL 78 -3.619 -18.190 -8.353 583 2HG1 VAL 78 HG12 VAL 78 -2.199 -18.145 -9.398 584 3HG1 VAL 78 HG13 VAL 78 -3.226 -16.720 -9.245 585 1HG2 VAL 78 HG21 VAL 78 -2.137 -15.801 -5.831 586 2HG2 VAL 78 HG22 VAL 78 -3.579 -16.761 -6.166 587 3HG2 VAL 78 HG23 VAL 78 -3.195 -15.364 -7.173 588 H LEU 79 HN LEU 79 -1.793 -20.670 -7.479 589 HA LEU 79 HA LEU 79 0.846 -21.114 -8.602 590 1HB LEU 79 HB2 LEU 79 -1.518 -22.983 -8.340 591 2HB LEU 79 HB1 LEU 79 0.091 -23.448 -8.862 592 HG LEU 79 HG LEU 79 -0.680 -22.438 -6.115 593 1HD1 LEU 79 HD11 LEU 79 0.276 -25.145 -7.046 594 2HD1 LEU 79 HD12 LEU 79 -1.355 -24.738 -6.516 595 3HD1 LEU 79 HD13 LEU 79 -0.017 -24.674 -5.372 596 1HD2 LEU 79 HD21 LEU 79 1.532 -21.608 -6.716 597 2HD2 LEU 79 HD22 LEU 79 2.038 -23.237 -7.168 598 3HD2 LEU 79 HD23 LEU 79 1.652 -22.867 -5.487 599 H GLY 80 HN GLY 80 -2.534 -21.275 -9.751 600 1HA GLY 80 HA2 GLY 80 -1.901 -20.154 -12.278 601 2HA GLY 80 HA1 GLY 80 -2.010 -21.903 -12.420 602 H SER 81 HN SER 81 -3.725 -20.394 -13.866 603 HA SER 81 HA SER 81 -6.271 -21.265 -12.831 604 1HB SER 81 HB2 SER 81 -7.347 -19.041 -13.011 605 2HB SER 81 HB1 SER 81 -6.098 -19.063 -11.767 606 HG SER 81 HG SER 81 -4.715 -17.992 -13.167 607 H SER 82 HN SER 82 -7.911 -21.306 -14.440 608 HA SER 82 HA SER 82 -7.238 -20.447 -17.142 609 1HB SER 82 HB2 SER 82 -7.983 -23.319 -16.493 610 2HB SER 82 HB1 SER 82 -7.768 -22.651 -18.111 611 HG SER 82 HG SER 82 -5.693 -22.445 -16.226 612 H GLU 83 HN GLU 83 -8.993 -19.746 -18.228 613 HA GLU 83 HA GLU 83 -11.628 -20.109 -16.963 614 1HB GLU 83 HB2 GLU 83 -10.876 -17.778 -17.176 615 2HB GLU 83 HB1 GLU 83 -10.663 -17.993 -18.908 616 1HG GLU 83 HG2 GLU 83 -13.058 -18.354 -19.176 617 2HG GLU 83 HG1 GLU 83 -13.287 -18.189 -17.435 618 H LYS 84 HN LYS 84 -12.859 -21.575 -17.895 619 HA LYS 84 HA LYS 84 -12.557 -22.133 -20.775 620 1HB LYS 84 HB2 LYS 84 -13.599 -24.009 -18.628 621 2HB LYS 84 HB1 LYS 84 -13.268 -24.412 -20.309 622 1HG LYS 84 HG2 LYS 84 -11.181 -23.544 -18.308 623 2HG LYS 84 HG1 LYS 84 -11.535 -25.219 -18.732 624 1HD LYS 84 HD2 LYS 84 -10.843 -23.257 -20.892 625 2HD LYS 84 HD1 LYS 84 -9.561 -23.940 -19.895 626 1HE LYS 84 HE2 LYS 84 -9.910 -25.196 -21.991 627 2HE LYS 84 HE1 LYS 84 -10.174 -26.182 -20.556 628 1HZ LYS 84 HZ1 LYS 84 -12.340 -24.914 -22.138 629 2HZ LYS 84 HZ2 LYS 84 -12.530 -25.995 -20.856 630 3HZ LYS 84 HZ3 LYS 84 -11.847 -26.518 -22.308 631 H GLY 85 HN GLY 85 -14.052 -20.421 -21.247 632 1HA GLY 85 HA2 GLY 85 -16.134 -19.666 -21.858 633 2HA GLY 85 HA1 GLY 85 -16.750 -21.269 -21.484 634 H SER 86 HN SER 86 -18.125 -21.419 -19.829 635 HA SER 86 HA SER 86 -18.388 -19.147 -17.990 636 1HB SER 86 HB2 SER 86 -20.246 -21.496 -18.475 637 2HB SER 86 HB1 SER 86 -20.588 -20.105 -17.444 638 HG SER 86 HG SER 86 -19.860 -19.636 -20.110 639 H ARG 87 HN ARG 87 -16.768 -21.989 -18.103 640 HA ARG 87 HA ARG 87 -17.007 -22.536 -15.214 641 1HB ARG 87 HB2 ARG 87 -17.291 -24.481 -16.711 642 2HB ARG 87 HB1 ARG 87 -15.731 -24.154 -17.446 643 1HG ARG 87 HG2 ARG 87 -15.449 -25.968 -15.941 644 2HG ARG 87 HG1 ARG 87 -14.676 -24.561 -15.211 645 1HD ARG 87 HD2 ARG 87 -16.565 -24.236 -13.736 646 2HD ARG 87 HD1 ARG 87 -17.457 -25.530 -14.540 647 HE ARG 87 HE ARG 87 -14.912 -26.301 -13.378 648 1HH1 ARG 87 HH11 ARG 87 -18.387 -26.124 -12.967 649 2HH1 ARG 87 HH12 ARG 87 -18.421 -27.284 -11.677 650 1HH2 ARG 87 HH21 ARG 87 -14.967 -27.835 -11.667 651 2HH2 ARG 87 HH22 ARG 87 -16.484 -28.236 -10.931 652 H GLY 88 HN GLY 88 -15.315 -22.014 -13.888 653 1HA GLY 88 HA2 GLY 88 -12.744 -21.286 -15.159 654 2HA GLY 88 HA1 GLY 88 -13.510 -20.210 -13.998 655 H THR 89 HN THR 89 -10.918 -21.717 -13.985 656 HA THR 89 HA THR 89 -11.258 -22.898 -11.315 657 HB THR 89 HB THR 89 -9.563 -24.158 -13.494 658 HG1 THR 89 HG1 THR 89 -11.179 -25.619 -13.757 659 1HG2 THR 89 HG21 THR 89 -8.713 -24.532 -11.228 660 2HG2 THR 89 HG22 THR 89 -9.370 -26.024 -11.901 661 3HG2 THR 89 HG23 THR 89 -10.301 -25.105 -10.716 662 H VAL 90 HN VAL 90 -9.731 -22.262 -9.898 663 HA VAL 90 HA VAL 90 -7.139 -21.343 -10.900 664 HB VAL 90 HB VAL 90 -8.302 -19.264 -10.614 665 1HG1 VAL 90 HG11 VAL 90 -9.021 -20.157 -7.820 666 2HG1 VAL 90 HG12 VAL 90 -10.129 -20.017 -9.186 667 3HG1 VAL 90 HG13 VAL 90 -9.359 -18.574 -8.526 668 1HG2 VAL 90 HG21 VAL 90 -6.499 -19.734 -8.230 669 2HG2 VAL 90 HG22 VAL 90 -6.928 -18.162 -8.907 670 3HG2 VAL 90 HG23 VAL 90 -5.976 -19.302 -9.859 671 H GLU 91 HN GLU 91 -5.592 -22.373 -9.915 672 HA GLU 91 HA GLU 91 -6.081 -23.628 -7.304 673 1HB GLU 91 HB2 GLU 91 -5.388 -25.189 -9.019 674 2HB GLU 91 HB1 GLU 91 -4.018 -24.174 -9.455 675 1HG GLU 91 HG2 GLU 91 -2.986 -24.598 -7.299 676 2HG GLU 91 HG1 GLU 91 -4.378 -25.556 -6.801 677 H PHE 92 HN PHE 92 -4.909 -23.069 -5.542 678 HA PHE 92 HA PHE 92 -2.522 -21.461 -5.760 679 1HB PHE 92 HB2 PHE 92 -3.443 -19.572 -4.431 680 2HB PHE 92 HB1 PHE 92 -4.189 -19.715 -6.017 681 HD1 PHE 92 HD2 PHE 92 -6.497 -20.638 -6.218 682 HD2 PHE 92 HD1 PHE 92 -4.732 -19.775 -2.435 683 HE1 PHE 92 HE2 PHE 92 -8.722 -20.669 -5.176 684 HE2 PHE 92 HE1 PHE 92 -6.960 -19.803 -1.391 685 HZ PHE 92 HZ PHE 92 -8.957 -20.249 -2.760 686 H ILE 93 HN ILE 93 -2.018 -20.630 -3.393 687 HA ILE 93 HA ILE 93 -2.714 -22.698 -1.424 688 HB ILE 93 HB ILE 93 0.070 -21.672 -2.048 689 1HG1 ILE 93 HG12 ILE 93 -1.016 -24.503 -1.976 690 2HG1 ILE 93 HG11 ILE 93 -0.795 -23.564 -3.444 691 1HG2 ILE 93 HG21 ILE 93 0.846 -23.024 -0.137 692 2HG2 ILE 93 HG22 ILE 93 -0.832 -23.366 0.288 693 3HG2 ILE 93 HG23 ILE 93 -0.222 -21.713 0.366 694 1HD1 ILE 93 HD11 ILE 93 1.375 -24.445 -1.553 695 2HD1 ILE 93 HD12 ILE 93 1.615 -23.476 -3.007 696 3HD1 ILE 93 HD13 ILE 93 1.018 -25.130 -3.138 697 H ALA 94 HN ALA 94 -3.661 -21.715 0.219 698 HA ALA 94 HA ALA 94 -3.133 -18.914 0.825 699 1HB ALA 94 HB1 ALA 94 -5.453 -19.732 0.816 700 2HB ALA 94 HB2 ALA 94 -4.989 -19.129 2.408 701 3HB ALA 94 HB3 ALA 94 -5.058 -20.866 2.107 702 H ARG 95 HN ARG 95 -1.394 -18.489 2.033 703 HA ARG 95 HA ARG 95 -0.467 -20.432 4.024 704 1HB ARG 95 HB2 ARG 95 1.138 -19.414 2.396 705 2HB ARG 95 HB1 ARG 95 0.813 -17.841 3.111 706 1HG ARG 95 HG2 ARG 95 1.689 -18.655 5.265 707 2HG ARG 95 HG1 ARG 95 2.054 -20.211 4.512 708 1HD ARG 95 HD2 ARG 95 3.284 -17.521 3.949 709 2HD ARG 95 HD1 ARG 95 4.085 -19.006 4.469 710 HE ARG 95 HE ARG 95 3.348 -19.891 2.198 711 1HH1 ARG 95 HH11 ARG 95 4.316 -16.581 2.803 712 2HH1 ARG 95 HH12 ARG 95 4.604 -16.227 1.131 713 1HH2 ARG 95 HH21 ARG 95 3.733 -19.442 0.012 714 2HH2 ARG 95 HH22 ARG 95 4.277 -17.861 -0.464 715 H PHE 96 HN PHE 96 -1.027 -20.202 6.084 716 HA PHE 96 HA PHE 96 -1.564 -17.554 7.179 717 1HB PHE 96 HB2 PHE 96 -3.721 -18.480 8.203 718 2HB PHE 96 HB1 PHE 96 -3.763 -18.078 6.492 719 HD1 PHE 96 HD1 PHE 96 -2.894 -21.060 8.601 720 HD2 PHE 96 HD2 PHE 96 -4.905 -19.551 5.161 721 HE1 PHE 96 HE1 PHE 96 -3.703 -23.321 8.084 722 HE2 PHE 96 HE2 PHE 96 -5.720 -21.812 4.647 723 HZ PHE 96 HZ PHE 96 -5.122 -23.700 6.111 724 H ARG 97 HN ARG 97 -1.558 -17.491 9.443 725 HA ARG 97 HA ARG 97 -0.063 -19.623 10.737 726 1HB ARG 97 HB2 ARG 97 0.635 -17.302 11.071 727 2HB ARG 97 HB1 ARG 97 -0.958 -16.881 11.663 728 1HG ARG 97 HG2 ARG 97 -0.627 -18.297 13.619 729 2HG ARG 97 HG1 ARG 97 0.969 -18.764 13.014 730 1HD ARG 97 HD2 ARG 97 0.909 -16.913 14.766 731 2HD ARG 97 HD1 ARG 97 1.830 -16.585 13.298 732 HE ARG 97 HE ARG 97 -0.496 -15.501 12.630 733 1HH1 ARG 97 HH11 ARG 97 1.226 -15.280 15.670 734 2HH1 ARG 97 HH12 ARG 97 0.644 -13.685 16.019 735 1HH2 ARG 97 HH21 ARG 97 -1.244 -13.416 13.073 736 2HH2 ARG 97 HH22 ARG 97 -0.765 -12.619 14.542 737 H ARG 98 HN ARG 98 -1.037 -21.116 12.018 738 HA ARG 98 HA ARG 98 -3.878 -21.228 12.111 739 1HB ARG 98 HB2 ARG 98 -2.267 -23.210 12.054 740 2HB ARG 98 HB1 ARG 98 -1.978 -22.909 13.762 741 1HG ARG 98 HG2 ARG 98 -3.611 -24.670 13.497 742 2HG ARG 98 HG1 ARG 98 -4.378 -23.249 14.212 743 1HD ARG 98 HD2 ARG 98 -5.254 -22.620 12.003 744 2HD ARG 98 HD1 ARG 98 -4.492 -24.045 11.297 745 HE ARG 98 HE ARG 98 -6.090 -25.015 13.303 746 1HH1 ARG 98 HH11 ARG 98 -6.615 -23.063 10.435 747 2HH1 ARG 98 HH12 ARG 98 -8.239 -23.631 10.201 748 1HH2 ARG 98 HH21 ARG 98 -8.221 -25.754 12.980 749 2HH2 ARG 98 HH22 ARG 98 -9.147 -25.145 11.637 750 H GLY 99 HN GLY 99 -4.894 -19.734 13.285 751 1HA GLY 99 HA2 GLY 99 -5.568 -18.449 15.054 752 2HA GLY 99 HA1 GLY 99 -4.832 -19.658 16.099 753 H GLY 100 HN GLY 100 -2.691 -19.406 16.764 754 1HA GLY 100 HA2 GLY 100 -1.231 -17.000 15.964 755 2HA GLY 100 HA1 GLY 100 -1.674 -17.140 17.662 756 H GLY 101 HN GLY 101 -0.952 -19.970 15.790 757 1HA GLY 101 HA2 GLY 101 1.567 -20.271 17.315 758 2HA GLY 101 HA1 GLY 101 0.492 -21.602 16.926 759 HA PRO 102 HA PRO 102 3.348 -22.303 13.669 760 1HB PRO 102 HB2 PRO 102 2.170 -24.391 12.460 761 2HB PRO 102 HB1 PRO 102 2.809 -24.515 14.104 762 1HG PRO 102 HG2 PRO 102 -0.021 -24.144 13.195 763 2HG PRO 102 HG1 PRO 102 0.613 -25.177 14.490 764 1HD PRO 102 HD2 PRO 102 -0.530 -22.690 14.890 765 2HD PRO 102 HD1 PRO 102 0.608 -23.461 16.010 766 H GLU 103 HN GLU 103 3.752 -21.525 11.674 767 HA GLU 103 HA GLU 103 1.632 -20.370 10.095 768 1HB GLU 103 HB2 GLU 103 4.594 -20.671 9.520 769 2HB GLU 103 HB1 GLU 103 3.458 -19.771 8.522 770 1HG GLU 103 HG2 GLU 103 3.019 -18.237 10.350 771 2HG GLU 103 HG1 GLU 103 4.094 -19.158 11.397 772 H GLN 104 HN GLN 104 0.357 -21.665 9.014 773 HA GLN 104 HA GLN 104 1.410 -24.166 7.862 774 1HB GLN 104 HB2 GLN 104 -0.296 -24.366 9.692 775 2HB GLN 104 HB1 GLN 104 -1.440 -23.510 8.669 776 1HG GLN 104 HG2 GLN 104 -1.361 -25.312 7.036 777 2HG GLN 104 HG1 GLN 104 -0.153 -26.157 8.007 778 1HE2 GLN 104 HE21 GLN 104 -0.777 -27.083 9.984 779 2HE2 GLN 104 HE22 GLN 104 -2.432 -27.427 10.343 780 H SER 105 HN SER 105 0.518 -24.822 5.794 781 HA SER 105 HA SER 105 -0.558 -22.578 4.219 782 1HB SER 105 HB2 SER 105 0.874 -23.568 2.303 783 2HB SER 105 HB1 SER 105 1.697 -22.629 3.549 784 HG SER 105 HG SER 105 2.402 -24.515 4.493 785 H HIS 106 HN HIS 106 -2.491 -23.070 3.528 786 HA HIS 106 HA HIS 106 -3.243 -25.861 3.045 787 1HB HIS 106 HB2 HIS 106 -4.730 -24.478 4.457 788 2HB HIS 106 HB1 HIS 106 -4.944 -23.350 3.124 789 HD1 HIS 106 HD1 HIS 106 -6.469 -24.097 1.171 790 HD2 HIS 106 HD2 HIS 106 -6.219 -26.836 4.287 791 HE1 HIS 106 HE1 HIS 106 -8.336 -25.735 0.783 792 HE2 HIS 106 HE2 HIS 106 -8.264 -27.279 2.770 793 H HIS 107 HN HIS 107 -3.535 -26.642 1.055 794 HA HIS 107 HA HIS 107 -3.302 -24.782 -1.226 795 1HB HIS 107 HB2 HIS 107 -1.358 -26.240 -1.028 796 2HB HIS 107 HB1 HIS 107 -2.386 -27.658 -0.931 797 HD1 HIS 107 HD1 HIS 107 -0.619 -28.258 -2.963 798 HD2 HIS 107 HD2 HIS 107 -3.672 -25.567 -3.794 799 HE1 HIS 107 HE1 HIS 107 -0.816 -28.216 -5.461 800 HE2 HIS 107 HE2 HIS 107 -2.835 -26.792 -5.908 801 H GLU 108 HN GLU 108 -5.145 -24.565 -2.330 802 HA GLU 108 HA GLU 108 -6.846 -26.939 -2.687 803 1HB GLU 108 HB2 GLU 108 -8.870 -25.581 -2.432 804 2HB GLU 108 HB1 GLU 108 -7.912 -25.585 -0.960 805 1HG GLU 108 HG2 GLU 108 -7.693 -23.352 -2.954 806 2HG GLU 108 HG1 GLU 108 -8.970 -23.381 -1.741 807 H ARG 109 HN ARG 109 -8.463 -26.619 -4.406 808 HA ARG 109 HA ARG 109 -7.566 -24.834 -6.569 809 1HB ARG 109 HB2 ARG 109 -6.921 -27.143 -7.104 810 2HB ARG 109 HB1 ARG 109 -8.562 -27.693 -6.798 811 1HG ARG 109 HG2 ARG 109 -9.370 -26.402 -8.701 812 2HG ARG 109 HG1 ARG 109 -7.738 -25.796 -8.994 813 1HD ARG 109 HD2 ARG 109 -8.288 -27.640 -10.504 814 2HD ARG 109 HD1 ARG 109 -6.956 -28.066 -9.429 815 HE ARG 109 HE ARG 109 -9.660 -28.894 -8.662 816 1HH1 ARG 109 HH11 ARG 109 -6.482 -29.777 -9.866 817 2HH1 ARG 109 HH12 ARG 109 -6.746 -31.478 -9.658 818 1HH2 ARG 109 HH21 ARG 109 -9.979 -31.127 -8.346 819 2HH2 ARG 109 HH22 ARG 109 -8.731 -32.249 -8.799 820 H SER 110 HN SER 110 -9.110 -23.302 -6.553 821 HA SER 110 HA SER 110 -11.840 -24.023 -5.815 822 1HB SER 110 HB2 SER 110 -10.543 -21.312 -6.217 823 2HB SER 110 HB1 SER 110 -12.199 -21.573 -5.666 824 HG SER 110 HG SER 110 -9.777 -22.182 -4.348 825 H GLN 111 HN GLN 111 -13.373 -24.328 -7.265 826 HA GLN 111 HA GLN 111 -12.997 -23.279 -9.984 827 1HB GLN 111 HB2 GLN 111 -14.514 -25.647 -8.920 828 2HB GLN 111 HB1 GLN 111 -15.017 -24.902 -10.430 829 1HG GLN 111 HG2 GLN 111 -13.611 -26.436 -11.297 830 2HG GLN 111 HG1 GLN 111 -12.426 -25.177 -10.984 831 1HE2 GLN 111 HE21 GLN 111 -12.567 -25.742 -8.038 832 2HE2 GLN 111 HE22 GLN 111 -11.667 -27.195 -7.823 833 H PHE 112 HN PHE 112 -14.333 -21.834 -10.796 834 HA PHE 112 HA PHE 112 -16.558 -20.859 -9.128 835 1HB PHE 112 HB2 PHE 112 -14.749 -19.362 -11.053 836 2HB PHE 112 HB1 PHE 112 -16.161 -18.660 -10.273 837 HD1 PHE 112 HD1 PHE 112 -12.952 -20.391 -9.427 838 HD2 PHE 112 HD2 PHE 112 -15.883 -17.508 -8.288 839 HE1 PHE 112 HE1 PHE 112 -11.560 -19.723 -7.511 840 HE2 PHE 112 HE2 PHE 112 -14.491 -16.845 -6.374 841 HZ PHE 112 HZ PHE 112 -12.326 -17.951 -5.984 842 H ARG 113 HN ARG 113 -18.535 -20.671 -10.063 843 HA ARG 113 HA ARG 113 -18.786 -21.326 -12.921 844 1HB ARG 113 HB2 ARG 113 -20.118 -22.766 -11.520 845 2HB ARG 113 HB1 ARG 113 -20.794 -21.393 -10.655 846 1HG ARG 113 HG2 ARG 113 -22.104 -20.738 -12.515 847 2HG ARG 113 HG1 ARG 113 -21.236 -21.823 -13.601 848 1HD ARG 113 HD2 ARG 113 -23.476 -22.668 -12.985 849 2HD ARG 113 HD1 ARG 113 -22.176 -23.756 -12.504 850 HE ARG 113 HE ARG 113 -22.634 -22.223 -10.281 851 1HH1 ARG 113 HH11 ARG 113 -24.640 -24.239 -12.325 852 2HH1 ARG 113 HH12 ARG 113 -25.693 -24.714 -11.036 853 1HH2 ARG 113 HH21 ARG 113 -24.004 -22.865 -8.581 854 2HH2 ARG 113 HH22 ARG 113 -25.316 -23.958 -8.900 855 H LYS 114 HN LYS 114 -19.326 -19.777 -14.328 856 HA LYS 114 HA LYS 114 -19.662 -17.075 -13.370 857 1HB LYS 114 HB2 LYS 114 -18.344 -17.858 -15.461 858 2HB LYS 114 HB1 LYS 114 -19.914 -17.922 -16.253 859 1HG LYS 114 HG2 LYS 114 -20.263 -15.546 -15.747 860 2HG LYS 114 HG1 LYS 114 -18.686 -15.489 -14.955 861 1HD LYS 114 HD2 LYS 114 -17.703 -16.262 -17.171 862 2HD LYS 114 HD1 LYS 114 -19.287 -15.933 -17.878 863 1HE LYS 114 HE2 LYS 114 -19.095 -13.595 -16.979 864 2HE LYS 114 HE1 LYS 114 -17.434 -13.973 -16.528 865 1HZ LYS 114 HZ1 LYS 114 -17.476 -12.861 -18.643 866 2HZ LYS 114 HZ2 LYS 114 -18.552 -13.997 -19.278 867 3HZ LYS 114 HZ3 LYS 114 -16.977 -14.462 -18.878 868 H ALA 115 HN ALA 115 -21.589 -16.561 -12.569 869 HA ALA 115 HA ALA 115 -24.013 -17.401 -14.022 870 1HB ALA 115 HB1 ALA 115 -23.725 -16.701 -11.094 871 2HB ALA 115 HB2 ALA 115 -23.862 -18.329 -11.756 872 3HB ALA 115 HB3 ALA 115 -25.211 -17.203 -11.902 873 H ARG 116 HN ARG 116 -25.139 -15.854 -14.964 874 HA ARG 116 HA ARG 116 -25.967 -13.841 -15.591 875 1HB ARG 116 HB2 ARG 116 -26.642 -13.924 -13.109 876 2HB ARG 116 HB1 ARG 116 -25.303 -12.820 -12.825 877 1HG ARG 116 HG2 ARG 116 -27.390 -11.600 -12.996 878 2HG ARG 116 HG1 ARG 116 -26.334 -11.189 -14.350 879 1HD ARG 116 HD2 ARG 116 -27.574 -12.739 -15.787 880 2HD ARG 116 HD1 ARG 116 -28.618 -13.164 -14.432 881 HE ARG 116 HE ARG 116 -28.758 -10.404 -14.741 882 1HH1 ARG 116 HH11 ARG 116 -29.551 -13.256 -16.626 883 2HH1 ARG 116 HH12 ARG 116 -30.876 -12.490 -17.447 884 1HH2 ARG 116 HH21 ARG 116 -30.508 -9.410 -15.827 885 2HH2 ARG 116 HH22 ARG 116 -31.415 -10.319 -16.996 886 H GLY 117 HN GLY 117 -23.040 -14.448 -15.711 887 1HA GLY 117 HA2 GLY 117 -21.424 -13.256 -16.934 888 2HA GLY 117 HA1 GLY 117 -22.190 -11.750 -16.458 889 H ARG 118 HN ARG 118 -22.056 -13.227 -13.610 890 HA ARG 118 HA ARG 118 -19.368 -12.159 -13.009 891 1HB ARG 118 HB2 ARG 118 -21.593 -12.729 -11.027 892 2HB ARG 118 HB1 ARG 118 -20.079 -11.900 -10.705 893 1HG ARG 118 HG2 ARG 118 -21.597 -10.163 -10.815 894 2HG ARG 118 HG1 ARG 118 -20.917 -10.174 -12.443 895 1HD ARG 118 HD2 ARG 118 -22.853 -11.514 -13.204 896 2HD ARG 118 HD1 ARG 118 -23.540 -11.403 -11.584 897 HE ARG 118 HE ARG 118 -22.991 -9.000 -13.207 898 1HH1 ARG 118 HH11 ARG 118 -25.183 -10.965 -11.295 899 2HH1 ARG 118 HH12 ARG 118 -26.469 -9.807 -11.359 900 1HH2 ARG 118 HH21 ARG 118 -24.690 -7.486 -13.298 901 2HH2 ARG 118 HH22 ARG 118 -26.194 -7.826 -12.498 902 H TRP 119 HN TRP 119 -17.987 -13.405 -11.591 903 HA TRP 119 HA TRP 119 -18.434 -16.274 -11.878 904 1HB TRP 119 HB2 TRP 119 -16.031 -14.661 -10.989 905 2HB TRP 119 HB1 TRP 119 -16.077 -16.423 -10.957 906 HD1 TRP 119 HD1 TRP 119 -15.631 -13.499 -13.326 907 HE1 TRP 119 HE1 TRP 119 -15.054 -14.397 -15.673 908 HE3 TRP 119 HE3 TRP 119 -16.564 -18.459 -12.544 909 HZ2 TRP 119 HZ2 TRP 119 -15.024 -16.875 -17.011 910 HZ3 TRP 119 HZ3 TRP 119 -16.244 -20.027 -14.410 911 HH2 TRP 119 HH2 TRP 119 -15.489 -19.250 -16.599 912 H TYR 120 HN TYR 120 -18.861 -17.627 -10.222 913 HA TYR 120 HA TYR 120 -18.952 -16.495 -7.506 914 1HB TYR 120 HB2 TYR 120 -21.053 -18.157 -8.910 915 2HB TYR 120 HB1 TYR 120 -21.019 -17.933 -7.165 916 HD1 TYR 120 HD1 TYR 120 -21.528 -15.754 -6.177 917 HD2 TYR 120 HD2 TYR 120 -21.723 -16.335 -10.390 918 HE1 TYR 120 HE1 TYR 120 -22.797 -13.666 -6.400 919 HE2 TYR 120 HE2 TYR 120 -22.997 -14.244 -10.621 920 HH TYR 120 HH TYR 120 -23.413 -12.042 -7.947 921 H PHE 121 HN PHE 121 -18.008 -17.680 -6.003 922 HA PHE 121 HA PHE 121 -16.462 -19.941 -6.567 923 1HB PHE 121 HB2 PHE 121 -15.845 -18.630 -4.688 924 2HB PHE 121 HB1 PHE 121 -17.455 -18.734 -3.981 925 HD1 PHE 121 HD1 PHE 121 -14.320 -20.565 -4.600 926 HD2 PHE 121 HD2 PHE 121 -18.108 -20.610 -2.653 927 HE1 PHE 121 HE1 PHE 121 -13.622 -22.515 -3.282 928 HE2 PHE 121 HE2 PHE 121 -17.418 -22.559 -1.333 929 HZ PHE 121 HZ PHE 121 -15.163 -23.513 -1.639 930 H SER 122 HN SER 122 -17.084 -21.971 -6.957 931 HA SER 122 HA SER 122 -19.725 -22.840 -6.000 932 1HB SER 122 HB2 SER 122 -18.011 -24.015 -8.209 933 2HB SER 122 HB1 SER 122 -19.656 -24.500 -7.795 934 HG SER 122 HG SER 122 -20.359 -22.413 -8.385 935 H GLU 123 HN GLU 123 -16.349 -23.951 -6.293 936 HA GLU 123 HA GLU 123 -16.701 -25.643 -3.957 937 1HB GLU 123 HB2 GLU 123 -15.777 -27.642 -5.233 938 2HB GLU 123 HB1 GLU 123 -17.443 -27.195 -5.583 939 1HG GLU 123 HG2 GLU 123 -16.583 -25.933 -7.580 940 2HG GLU 123 HG1 GLU 123 -15.006 -26.659 -7.271 941 H GLY 124 HN GLY 124 -14.908 -25.753 -2.769 942 1HA GLY 124 HA2 GLY 124 -12.333 -24.949 -4.006 943 2HA GLY 124 HA1 GLY 124 -12.812 -24.471 -2.382 944 H GLU 125 HN GLU 125 -11.877 -27.164 -4.411 945 HA GLU 125 HA GLU 125 -11.927 -29.085 -2.258 946 1HB GLU 125 HB2 GLU 125 -11.118 -30.659 -3.978 947 2HB GLU 125 HB1 GLU 125 -12.537 -29.769 -4.517 948 1HG GLU 125 HG2 GLU 125 -10.989 -28.211 -5.726 949 2HG GLU 125 HG1 GLU 125 -9.673 -29.310 -5.326 950 H ALA 126 HN ALA 126 -10.241 -29.784 -1.054 951 HA ALA 126 HA ALA 126 -7.757 -28.331 -1.143 952 1HB ALA 126 HB1 ALA 126 -7.138 -29.657 0.810 953 2HB ALA 126 HB2 ALA 126 -8.538 -30.702 0.565 954 3HB ALA 126 HB3 ALA 126 -8.767 -29.007 0.994 955 H VAL 127 HN VAL 127 -6.428 -28.788 -2.796 956 HA VAL 127 HA VAL 127 -5.945 -31.594 -3.516 957 HB VAL 127 HB VAL 127 -5.123 -30.718 -5.666 958 1HG1 VAL 127 HG11 VAL 127 -7.449 -31.433 -5.472 959 2HG1 VAL 127 HG12 VAL 127 -7.293 -30.097 -6.613 960 3HG1 VAL 127 HG13 VAL 127 -7.916 -29.801 -4.989 961 1HG2 VAL 127 HG21 VAL 127 -5.519 -28.378 -6.296 962 2HG2 VAL 127 HG22 VAL 127 -4.387 -28.507 -4.950 963 3HG2 VAL 127 HG23 VAL 127 -6.060 -28.034 -4.652 964 H ASP 128 HN ASP 128 -3.782 -32.212 -4.003 965 HA ASP 128 HA ASP 128 -1.710 -30.486 -2.810 966 1HB ASP 128 HB2 ASP 128 -2.158 -32.394 -1.335 967 2HB ASP 128 HB1 ASP 128 -1.915 -33.511 -2.675 Start of MODEL 7 1 1H MET 1 HT1 MET 1 1.807 1.054 -0.521 2 2H MET 1 HT2 MET 1 0.979 2.210 0.391 3 3H MET 1 HT3 MET 1 0.378 1.729 -1.115 4 HA MET 1 HA MET 1 0.633 -0.008 1.264 5 1HB MET 1 HB2 MET 1 -1.828 1.201 -0.033 6 2HB MET 1 HB1 MET 1 -1.852 0.022 1.271 7 1HG MET 1 HG2 MET 1 -2.252 2.220 2.157 8 2HG MET 1 HG1 MET 1 -0.687 1.636 2.722 9 1HE MET 1 HE1 MET 1 -2.565 4.004 0.241 10 2HE MET 1 HE2 MET 1 -1.548 3.090 -0.875 11 3HE MET 1 HE3 MET 1 -1.235 4.804 -0.598 12 H ASN 2 HN ASN 2 1.198 -1.962 0.500 13 HA ASN 2 HA ASN 2 0.317 -2.847 -2.126 14 1HB ASN 2 HB2 ASN 2 1.667 -4.880 -1.651 15 2HB ASN 2 HB1 ASN 2 2.598 -3.396 -1.495 16 1HD2 ASN 2 HD21 ASN 2 3.377 -2.790 0.499 17 2HD2 ASN 2 HD22 ASN 2 3.338 -3.829 1.880 18 H CYS 3 HN CYS 3 -1.266 -4.284 -2.527 19 HA CYS 3 HA CYS 3 -3.117 -4.882 -0.379 20 1HB CYS 3 HB2 CYS 3 -3.592 -4.226 -2.908 21 2HB CYS 3 HB1 CYS 3 -3.442 -5.966 -3.156 22 H VAL 4 HN VAL 4 -3.303 -6.802 0.656 23 HA VAL 4 HA VAL 4 -1.496 -8.935 0.192 24 HB VAL 4 HB VAL 4 -2.975 -10.244 1.762 25 1HG1 VAL 4 HG11 VAL 4 -2.405 -8.874 3.721 26 2HG1 VAL 4 HG12 VAL 4 -2.096 -7.496 2.662 27 3HG1 VAL 4 HG13 VAL 4 -1.080 -8.934 2.557 28 1HG2 VAL 4 HG21 VAL 4 -4.532 -7.650 1.877 29 2HG2 VAL 4 HG22 VAL 4 -4.772 -9.046 2.929 30 3HG2 VAL 4 HG23 VAL 4 -5.113 -9.172 1.203 31 H CYS 5 HN CYS 5 -1.772 -9.211 -2.043 32 HA CYS 5 HA CYS 5 -3.551 -11.321 -2.778 33 1HB CYS 5 HB2 CYS 5 -3.914 -8.678 -4.197 34 2HB CYS 5 HB1 CYS 5 -4.720 -10.188 -4.591 35 H GLY 6 HN GLY 6 -2.606 -12.503 -4.420 36 1HA GLY 6 HA2 GLY 6 -0.136 -11.901 -5.567 37 2HA GLY 6 HA1 GLY 6 -1.318 -13.008 -6.258 38 H SER 7 HN SER 7 -0.144 -9.724 -6.212 39 HA SER 7 HA SER 7 -0.846 -9.123 -8.865 40 1HB SER 7 HB2 SER 7 -2.610 -7.350 -8.307 41 2HB SER 7 HB1 SER 7 -3.145 -9.027 -8.197 42 HG SER 7 HG SER 7 -2.335 -8.653 -5.853 43 H GLY 8 HN GLY 8 -0.521 -7.683 -5.624 44 1HA GLY 8 HA2 GLY 8 1.273 -6.384 -4.869 45 2HA GLY 8 HA1 GLY 8 1.804 -6.177 -6.530 46 H LYS 9 HN LYS 9 -1.299 -5.531 -6.853 47 HA LYS 9 HA LYS 9 -0.897 -2.718 -7.026 48 1HB LYS 9 HB2 LYS 9 -3.573 -4.120 -7.149 49 2HB LYS 9 HB1 LYS 9 -3.110 -2.600 -7.907 50 1HG LYS 9 HG2 LYS 9 -1.360 -4.135 -9.146 51 2HG LYS 9 HG1 LYS 9 -2.510 -5.402 -8.734 52 1HD LYS 9 HD2 LYS 9 -3.153 -2.874 -10.268 53 2HD LYS 9 HD1 LYS 9 -2.935 -4.476 -10.973 54 1HE LYS 9 HE2 LYS 9 -4.886 -5.308 -9.870 55 2HE LYS 9 HE1 LYS 9 -5.029 -3.846 -8.894 56 1HZ LYS 9 HZ1 LYS 9 -5.371 -4.009 -11.840 57 2HZ LYS 9 HZ2 LYS 9 -5.466 -2.593 -10.922 58 3HZ LYS 9 HZ3 LYS 9 -6.608 -3.819 -10.703 59 H THR 10 HN THR 10 -2.645 -1.189 -6.062 60 HA THR 10 HA THR 10 -2.401 -1.341 -3.224 61 HB THR 10 HB THR 10 -3.586 0.787 -3.156 62 HG1 THR 10 HG1 THR 10 -4.168 1.594 -5.428 63 1HG2 THR 10 HG21 THR 10 -1.682 0.665 -5.502 64 2HG2 THR 10 HG22 THR 10 -1.226 0.849 -3.808 65 3HG2 THR 10 HG23 THR 10 -2.136 2.123 -4.619 66 H TYR 11 HN TYR 11 -4.400 -0.875 -1.816 67 HA TYR 11 HA TYR 11 -6.236 -2.972 -1.902 68 1HB TYR 11 HB2 TYR 11 -5.813 -1.711 0.143 69 2HB TYR 11 HB1 TYR 11 -6.470 -0.250 -0.582 70 HD1 TYR 11 HD2 TYR 11 -7.441 -3.731 0.357 71 HD2 TYR 11 HD1 TYR 11 -8.726 0.284 -0.251 72 HE1 TYR 11 HE2 TYR 11 -9.657 -4.309 1.249 73 HE2 TYR 11 HE1 TYR 11 -10.945 -0.287 0.643 74 HH TYR 11 HH TYR 11 -12.361 -2.278 0.946 75 H ASP 12 HN ASP 12 -6.698 0.432 -2.764 76 HA ASP 12 HA ASP 12 -9.304 0.220 -3.772 77 1HB ASP 12 HB2 ASP 12 -7.116 2.188 -4.517 78 2HB ASP 12 HB1 ASP 12 -8.827 2.389 -4.878 79 H ASP 13 HN ASP 13 -6.202 0.368 -5.520 80 HA ASP 13 HA ASP 13 -7.223 0.190 -8.107 81 1HB ASP 13 HB2 ASP 13 -4.788 0.681 -7.259 82 2HB ASP 13 HB1 ASP 13 -4.575 -1.059 -7.395 83 H CYS 14 HN CYS 14 -6.532 -2.280 -5.759 84 HA CYS 14 HA CYS 14 -7.069 -4.398 -7.709 85 1HB CYS 14 HB2 CYS 14 -5.134 -4.923 -6.525 86 2HB CYS 14 HB1 CYS 14 -5.780 -4.344 -4.999 87 H CYS 15 HN CYS 15 -7.951 -4.195 -4.232 88 HA CYS 15 HA CYS 15 -10.239 -5.856 -4.750 89 1HB CYS 15 HB2 CYS 15 -9.128 -4.603 -2.251 90 2HB CYS 15 HB1 CYS 15 -10.676 -5.439 -2.249 91 H GLY 16 HN GLY 16 -9.786 -2.436 -4.658 92 1HA GLY 16 HA2 GLY 16 -11.960 -1.509 -3.247 93 2HA GLY 16 HA1 GLY 16 -11.239 -0.661 -4.601 94 HA PRO 17 HA PRO 17 -14.797 -1.355 -7.106 95 1HB PRO 17 HB2 PRO 17 -14.064 -2.723 -9.354 96 2HB PRO 17 HB1 PRO 17 -13.647 -1.033 -9.064 97 1HG PRO 17 HG2 PRO 17 -11.976 -3.486 -8.709 98 2HG PRO 17 HG1 PRO 17 -11.517 -1.901 -9.353 99 1HD PRO 17 HD2 PRO 17 -10.936 -2.698 -6.814 100 2HD PRO 17 HD1 PRO 17 -11.203 -1.000 -7.258 101 H LEU 18 HN LEU 18 -13.063 -4.314 -6.418 102 HA LEU 18 HA LEU 18 -15.181 -6.073 -7.234 103 1HB LEU 18 HB2 LEU 18 -12.626 -6.514 -5.698 104 2HB LEU 18 HB1 LEU 18 -13.791 -7.799 -5.948 105 HG LEU 18 HG LEU 18 -12.099 -8.063 -7.594 106 1HD1 LEU 18 HD11 LEU 18 -13.336 -7.810 -9.691 107 2HD1 LEU 18 HD12 LEU 18 -14.504 -6.774 -8.874 108 3HD1 LEU 18 HD13 LEU 18 -14.345 -8.467 -8.404 109 1HD2 LEU 18 HD21 LEU 18 -12.528 -5.180 -8.369 110 2HD2 LEU 18 HD22 LEU 18 -11.441 -6.319 -9.165 111 3HD2 LEU 18 HD23 LEU 18 -11.133 -5.822 -7.502 112 H LEU 19 HN LEU 19 -13.953 -4.930 -4.113 113 HA LEU 19 HA LEU 19 -15.662 -6.466 -2.491 114 1HB LEU 19 HB2 LEU 19 -14.030 -3.992 -2.065 115 2HB LEU 19 HB1 LEU 19 -15.152 -4.500 -0.816 116 HG LEU 19 HG LEU 19 -13.087 -6.409 -1.907 117 1HD1 LEU 19 HD11 LEU 19 -11.893 -4.404 -1.135 118 2HD1 LEU 19 HD12 LEU 19 -11.599 -5.794 -0.092 119 3HD1 LEU 19 HD13 LEU 19 -12.712 -4.524 0.424 120 1HD2 LEU 19 HD21 LEU 19 -13.384 -7.499 0.244 121 2HD2 LEU 19 HD22 LEU 19 -14.929 -7.335 -0.590 122 3HD2 LEU 19 HD23 LEU 19 -14.526 -6.249 0.740 123 H ALA 20 HN ALA 20 -16.118 -3.365 -4.067 124 HA ALA 20 HA ALA 20 -18.654 -2.851 -2.788 125 1HB ALA 20 HB1 ALA 20 -17.266 -1.003 -3.585 126 2HB ALA 20 HB2 ALA 20 -18.837 -1.001 -4.388 127 3HB ALA 20 HB3 ALA 20 -17.410 -1.595 -5.241 128 H ARG 21 HN ARG 21 -17.553 -4.809 -5.307 129 HA ARG 21 HA ARG 21 -18.481 -6.103 -6.891 130 1HB ARG 21 HB2 ARG 21 -20.992 -5.602 -5.283 131 2HB ARG 21 HB1 ARG 21 -20.959 -6.651 -6.693 132 1HG ARG 21 HG2 ARG 21 -20.659 -8.199 -5.041 133 2HG ARG 21 HG1 ARG 21 -18.979 -7.808 -5.401 134 1HD ARG 21 HD2 ARG 21 -18.982 -7.699 -3.102 135 2HD ARG 21 HD1 ARG 21 -19.299 -6.014 -3.515 136 HE ARG 21 HE ARG 21 -21.678 -7.601 -3.151 137 1HH1 ARG 21 HH11 ARG 21 -19.316 -5.550 -1.560 138 2HH1 ARG 21 HH12 ARG 21 -20.318 -5.278 -0.169 139 1HH2 ARG 21 HH21 ARG 21 -22.957 -7.281 -1.307 140 2HH2 ARG 21 HH22 ARG 21 -22.379 -6.271 -0.017 141 H THR 22 HN THR 22 -18.587 -3.011 -6.965 142 HA THR 22 HA THR 22 -20.683 -2.328 -8.752 143 HB THR 22 HB THR 22 -19.580 -0.587 -7.462 144 HG1 THR 22 HG1 THR 22 -19.577 0.876 -9.058 145 1HG2 THR 22 HG21 THR 22 -17.325 -1.540 -7.348 146 2HG2 THR 22 HG22 THR 22 -17.280 0.125 -7.931 147 3HG2 THR 22 HG23 THR 22 -17.093 -1.213 -9.067 148 H ARG 23 HN ARG 23 -17.484 -3.651 -9.144 149 HA ARG 23 HA ARG 23 -17.847 -3.668 -12.072 150 1HB ARG 23 HB2 ARG 23 -16.043 -2.172 -11.557 151 2HB ARG 23 HB1 ARG 23 -15.324 -3.329 -10.447 152 1HG ARG 23 HG2 ARG 23 -14.773 -4.806 -12.303 153 2HG ARG 23 HG1 ARG 23 -15.544 -3.690 -13.435 154 1HD ARG 23 HD2 ARG 23 -13.918 -1.995 -12.977 155 2HD ARG 23 HD1 ARG 23 -13.240 -2.930 -11.644 156 HE ARG 23 HE ARG 23 -13.107 -4.297 -14.167 157 1HH1 ARG 23 HH11 ARG 23 -11.564 -1.882 -12.163 158 2HH1 ARG 23 HH12 ARG 23 -9.978 -2.166 -12.810 159 1HH2 ARG 23 HH21 ARG 23 -11.006 -4.676 -15.033 160 2HH2 ARG 23 HH22 ARG 23 -9.665 -3.748 -14.436 161 H SER 24 HN SER 24 -17.809 -5.589 -13.025 162 HA SER 24 HA SER 24 -17.379 -7.975 -11.430 163 1HB SER 24 HB2 SER 24 -18.183 -7.683 -14.345 164 2HB SER 24 HB1 SER 24 -18.249 -9.167 -13.392 165 HG SER 24 HG SER 24 -19.700 -6.782 -12.837 166 H ALA 25 HN ALA 25 -15.436 -8.879 -11.261 167 HA ALA 25 HA ALA 25 -13.109 -8.090 -12.504 168 1HB ALA 25 HB1 ALA 25 -13.718 -10.845 -11.424 169 2HB ALA 25 HB2 ALA 25 -13.174 -9.464 -10.474 170 3HB ALA 25 HB3 ALA 25 -12.113 -10.166 -11.693 171 H ALA 26 HN ALA 26 -15.380 -10.586 -13.504 172 HA ALA 26 HA ALA 26 -15.712 -11.705 -15.442 173 1HB ALA 26 HB1 ALA 26 -15.738 -9.450 -16.405 174 2HB ALA 26 HB2 ALA 26 -15.071 -10.632 -17.531 175 3HB ALA 26 HB3 ALA 26 -13.995 -9.541 -16.659 176 H SER 27 HN SER 27 -13.064 -11.957 -13.800 177 HA SER 27 HA SER 27 -11.923 -13.999 -15.539 178 1HB SER 27 HB2 SER 27 -10.244 -11.809 -14.271 179 2HB SER 27 HB1 SER 27 -9.613 -13.212 -15.131 180 HG SER 27 HG SER 27 -11.438 -11.942 -16.654 181 HA PRO 28 HA PRO 28 -12.412 -16.265 -11.801 182 1HB PRO 28 HB2 PRO 28 -10.355 -18.128 -12.194 183 2HB PRO 28 HB1 PRO 28 -12.008 -18.270 -12.798 184 1HG PRO 28 HG2 PRO 28 -9.547 -17.335 -14.206 185 2HG PRO 28 HG1 PRO 28 -10.903 -18.294 -14.828 186 1HD PRO 28 HD2 PRO 28 -10.651 -15.686 -15.413 187 2HD PRO 28 HD1 PRO 28 -12.246 -16.420 -15.144 188 H GLU 29 HN GLU 29 -8.956 -15.813 -12.626 189 HA GLU 29 HA GLU 29 -8.082 -15.911 -9.929 190 1HB GLU 29 HB2 GLU 29 -5.941 -14.988 -10.821 191 2HB GLU 29 HB1 GLU 29 -6.511 -16.412 -11.685 192 1HG GLU 29 HG2 GLU 29 -7.114 -15.193 -13.566 193 2HG GLU 29 HG1 GLU 29 -7.165 -13.668 -12.684 194 H ALA 30 HN ALA 30 -8.994 -13.269 -12.080 195 HA ALA 30 HA ALA 30 -8.023 -11.116 -10.578 196 1HB ALA 30 HB1 ALA 30 -9.590 -9.731 -11.836 197 2HB ALA 30 HB2 ALA 30 -10.449 -11.174 -12.376 198 3HB ALA 30 HB3 ALA 30 -8.787 -10.892 -12.893 199 H LEU 31 HN LEU 31 -11.082 -12.838 -10.457 200 HA LEU 31 HA LEU 31 -12.206 -11.220 -8.380 201 1HB LEU 31 HB2 LEU 31 -13.544 -12.502 -10.041 202 2HB LEU 31 HB1 LEU 31 -12.964 -13.995 -9.337 203 HG LEU 31 HG LEU 31 -15.329 -13.229 -8.732 204 1HD1 LEU 31 HD11 LEU 31 -15.171 -14.046 -6.440 205 2HD1 LEU 31 HD12 LEU 31 -13.419 -13.851 -6.479 206 3HD1 LEU 31 HD13 LEU 31 -14.200 -15.026 -7.539 207 1HD2 LEU 31 HD21 LEU 31 -15.540 -11.629 -6.909 208 2HD2 LEU 31 HD22 LEU 31 -14.808 -10.876 -8.325 209 3HD2 LEU 31 HD23 LEU 31 -13.802 -11.330 -6.949 210 H MET 32 HN MET 32 -10.533 -14.328 -8.555 211 HA MET 32 HA MET 32 -11.040 -15.154 -5.925 212 1HB MET 32 HB2 MET 32 -10.318 -16.648 -7.769 213 2HB MET 32 HB1 MET 32 -8.710 -15.945 -7.685 214 1HG MET 32 HG2 MET 32 -10.001 -17.298 -5.330 215 2HG MET 32 HG1 MET 32 -9.059 -18.177 -6.532 216 1HE MET 32 HE1 MET 32 -5.497 -16.714 -6.106 217 2HE MET 32 HE2 MET 32 -6.728 -16.279 -7.293 218 3HE MET 32 HE3 MET 32 -6.485 -17.970 -6.853 219 H ARG 33 HN ARG 33 -8.144 -13.482 -7.262 220 HA ARG 33 HA ARG 33 -6.785 -13.579 -4.770 221 1HB ARG 33 HB2 ARG 33 -5.001 -12.582 -5.771 222 2HB ARG 33 HB1 ARG 33 -5.837 -13.133 -7.212 223 1HG ARG 33 HG2 ARG 33 -6.345 -10.381 -6.146 224 2HG ARG 33 HG1 ARG 33 -4.893 -10.716 -7.084 225 1HD ARG 33 HD2 ARG 33 -7.602 -11.492 -8.108 226 2HD ARG 33 HD1 ARG 33 -6.996 -9.851 -8.295 227 HE ARG 33 HE ARG 33 -5.611 -12.232 -9.370 228 1HH1 ARG 33 HH11 ARG 33 -6.669 -8.908 -9.688 229 2HH1 ARG 33 HH12 ARG 33 -5.912 -8.677 -11.228 230 1HH2 ARG 33 HH21 ARG 33 -4.613 -11.920 -11.431 231 2HH2 ARG 33 HH22 ARG 33 -4.745 -10.370 -12.200 232 H SER 34 HN SER 34 -9.068 -11.370 -6.143 233 HA SER 34 HA SER 34 -8.681 -9.294 -4.183 234 1HB SER 34 HB2 SER 34 -11.020 -9.825 -6.045 235 2HB SER 34 HB1 SER 34 -10.733 -8.335 -5.139 236 HG SER 34 HG SER 34 -9.766 -9.044 -7.522 237 H ARG 35 HN ARG 35 -10.673 -12.135 -4.565 238 HA ARG 35 HA ARG 35 -12.518 -11.677 -2.484 239 1HB ARG 35 HB2 ARG 35 -12.706 -13.368 -4.357 240 2HB ARG 35 HB1 ARG 35 -11.524 -14.351 -3.506 241 1HG ARG 35 HG2 ARG 35 -13.071 -14.491 -1.584 242 2HG ARG 35 HG1 ARG 35 -14.262 -13.575 -2.509 243 1HD ARG 35 HD2 ARG 35 -14.126 -15.370 -4.271 244 2HD ARG 35 HD1 ARG 35 -13.143 -16.306 -3.145 245 HE ARG 35 HE ARG 35 -15.872 -15.425 -2.445 246 1HH1 ARG 35 HH11 ARG 35 -13.487 -17.968 -2.793 247 2HH1 ARG 35 HH12 ARG 35 -14.517 -19.201 -2.149 248 1HH2 ARG 35 HH21 ARG 35 -17.241 -17.047 -1.602 249 2HH2 ARG 35 HH22 ARG 35 -16.662 -18.676 -1.469 250 H TYR 36 HN TYR 36 -9.444 -13.436 -2.618 251 HA TYR 36 HA TYR 36 -9.315 -14.465 -0.057 252 1HB TYR 36 HB2 TYR 36 -7.644 -15.123 -1.616 253 2HB TYR 36 HB1 TYR 36 -7.150 -13.459 -1.909 254 HD1 TYR 36 HD1 TYR 36 -7.057 -16.213 0.580 255 HD2 TYR 36 HD2 TYR 36 -5.502 -12.409 -0.548 256 HE1 TYR 36 HE1 TYR 36 -5.300 -16.427 2.287 257 HE2 TYR 36 HE2 TYR 36 -3.744 -12.616 1.158 258 HH TYR 36 HH TYR 36 -3.341 -13.816 3.252 259 H ALA 37 HN ALA 37 -8.395 -11.234 -1.172 260 HA ALA 37 HA ALA 37 -7.124 -10.309 1.122 261 1HB ALA 37 HB1 ALA 37 -7.073 -9.116 -1.010 262 2HB ALA 37 HB2 ALA 37 -7.591 -8.056 0.300 263 3HB ALA 37 HB3 ALA 37 -8.779 -8.707 -0.830 264 H ALA 38 HN ALA 38 -10.547 -10.518 0.355 265 HA ALA 38 HA ALA 38 -11.551 -8.900 2.424 266 1HB ALA 38 HB1 ALA 38 -12.849 -11.309 1.138 267 2HB ALA 38 HB2 ALA 38 -12.902 -9.659 0.517 268 3HB ALA 38 HB3 ALA 38 -13.671 -10.046 2.056 269 H TYR 39 HN TYR 39 -10.556 -12.268 2.338 270 HA TYR 39 HA TYR 39 -11.611 -12.977 4.892 271 1HB TYR 39 HB2 TYR 39 -10.440 -14.343 2.738 272 2HB TYR 39 HB1 TYR 39 -9.303 -14.569 4.060 273 HD1 TYR 39 HD2 TYR 39 -12.974 -14.261 4.463 274 HD2 TYR 39 HD1 TYR 39 -9.643 -16.910 4.389 275 HE1 TYR 39 HE2 TYR 39 -14.398 -16.066 5.327 276 HE2 TYR 39 HE1 TYR 39 -11.062 -18.723 5.251 277 HH TYR 39 HH TYR 39 -13.241 -18.875 6.618 278 H ALA 40 HN ALA 40 -8.460 -11.900 3.716 279 HA ALA 40 HA ALA 40 -7.118 -12.114 6.225 280 1HB ALA 40 HB1 ALA 40 -6.392 -10.483 3.785 281 2HB ALA 40 HB2 ALA 40 -5.907 -12.149 4.098 282 3HB ALA 40 HB3 ALA 40 -5.323 -10.851 5.140 283 H LEU 41 HN LEU 41 -9.032 -9.656 4.676 284 HA LEU 41 HA LEU 41 -8.340 -7.657 6.705 285 1HB LEU 41 HB2 LEU 41 -10.034 -7.437 4.208 286 2HB LEU 41 HB1 LEU 41 -9.645 -6.106 5.285 287 HG LEU 41 HG LEU 41 -7.632 -7.685 3.665 288 1HD1 LEU 41 HD11 LEU 41 -7.399 -5.643 2.340 289 2HD1 LEU 41 HD12 LEU 41 -8.704 -4.894 3.260 290 3HD1 LEU 41 HD13 LEU 41 -9.034 -6.298 2.244 291 1HD2 LEU 41 HD21 LEU 41 -6.036 -5.964 4.373 292 2HD2 LEU 41 HD22 LEU 41 -6.678 -6.859 5.749 293 3HD2 LEU 41 HD23 LEU 41 -7.274 -5.236 5.397 294 H LYS 42 HN LYS 42 -10.032 -10.140 7.025 295 HA LYS 42 HA LYS 42 -11.911 -10.878 7.998 296 1HB LYS 42 HB2 LYS 42 -12.539 -9.850 10.095 297 2HB LYS 42 HB1 LYS 42 -10.797 -9.905 9.935 298 1HG LYS 42 HG2 LYS 42 -12.158 -7.383 9.143 299 2HG LYS 42 HG1 LYS 42 -12.110 -7.779 10.860 300 1HD LYS 42 HD2 LYS 42 -9.726 -7.518 9.014 301 2HD LYS 42 HD1 LYS 42 -10.221 -6.364 10.251 302 1HE LYS 42 HE2 LYS 42 -9.292 -9.200 10.722 303 2HE LYS 42 HE1 LYS 42 -8.360 -7.736 11.028 304 1HZ LYS 42 HZ1 LYS 42 -9.281 -8.519 13.070 305 2HZ LYS 42 HZ2 LYS 42 -10.839 -8.588 12.421 306 3HZ LYS 42 HZ3 LYS 42 -10.087 -7.091 12.654 307 H ASP 43 HN ASP 43 -12.336 -8.928 5.699 308 HA ASP 43 HA ASP 43 -15.162 -8.337 6.231 309 1HB ASP 43 HB2 ASP 43 -13.277 -7.593 3.993 310 2HB ASP 43 HB1 ASP 43 -15.018 -7.504 3.753 311 H PHE 44 HN PHE 44 -15.044 -10.806 6.555 312 HA PHE 44 HA PHE 44 -14.720 -12.498 4.298 313 1HB PHE 44 HB2 PHE 44 -15.587 -14.284 5.804 314 2HB PHE 44 HB1 PHE 44 -14.257 -13.366 6.497 315 HD1 PHE 44 HD2 PHE 44 -14.625 -11.860 8.381 316 HD2 PHE 44 HD1 PHE 44 -17.820 -14.155 6.740 317 HE1 PHE 44 HE2 PHE 44 -15.976 -11.406 10.383 318 HE2 PHE 44 HE1 PHE 44 -19.174 -13.700 8.743 319 HZ PHE 44 HZ PHE 44 -18.253 -12.325 10.566 320 H ASP 45 HN ASP 45 -17.324 -10.589 5.355 321 HA ASP 45 HA ASP 45 -19.546 -12.042 4.481 322 1HB ASP 45 HB2 ASP 45 -19.616 -9.855 5.716 323 2HB ASP 45 HB1 ASP 45 -19.154 -9.044 4.222 324 H TYR 46 HN TYR 46 -17.174 -10.147 2.727 325 HA TYR 46 HA TYR 46 -18.477 -10.081 0.226 326 1HB TYR 46 HB2 TYR 46 -16.630 -8.570 0.704 327 2HB TYR 46 HB1 TYR 46 -15.519 -9.921 0.886 328 HD1 TYR 46 HD1 TYR 46 -17.922 -8.593 -1.659 329 HD2 TYR 46 HD2 TYR 46 -14.124 -10.369 -0.913 330 HE1 TYR 46 HE1 TYR 46 -17.390 -8.459 -4.051 331 HE2 TYR 46 HE2 TYR 46 -13.586 -10.235 -3.307 332 HH TYR 46 HH TYR 46 -15.556 -8.466 -5.528 333 H ILE 47 HN ILE 47 -16.461 -12.482 1.792 334 HA ILE 47 HA ILE 47 -15.834 -14.126 -0.381 335 HB ILE 47 HB ILE 47 -16.510 -15.004 2.439 336 1HG1 ILE 47 HG12 ILE 47 -14.703 -13.316 2.351 337 2HG1 ILE 47 HG11 ILE 47 -14.119 -14.885 2.887 338 1HG2 ILE 47 HG21 ILE 47 -16.553 -16.867 0.860 339 2HG2 ILE 47 HG22 ILE 47 -15.169 -16.996 1.946 340 3HG2 ILE 47 HG23 ILE 47 -14.941 -16.436 0.289 341 1HD1 ILE 47 HD11 ILE 47 -12.560 -13.812 1.371 342 2HD1 ILE 47 HD12 ILE 47 -13.803 -13.743 0.122 343 3HD1 ILE 47 HD13 ILE 47 -13.194 -15.303 0.677 344 H VAL 48 HN VAL 48 -18.693 -14.007 1.683 345 HA VAL 48 HA VAL 48 -20.063 -16.176 0.470 346 HB VAL 48 HB VAL 48 -21.273 -13.826 1.955 347 1HG1 VAL 48 HG11 VAL 48 -23.081 -15.412 2.488 348 2HG1 VAL 48 HG12 VAL 48 -22.298 -16.629 1.478 349 3HG1 VAL 48 HG13 VAL 48 -22.922 -15.147 0.751 350 1HG2 VAL 48 HG21 VAL 48 -19.513 -14.865 3.301 351 2HG2 VAL 48 HG22 VAL 48 -20.247 -16.451 3.058 352 3HG2 VAL 48 HG23 VAL 48 -21.105 -15.212 3.976 353 H GLU 49 HN GLU 49 -20.163 -12.662 0.030 354 HA GLU 49 HA GLU 49 -22.158 -12.469 -1.899 355 1HB GLU 49 HB2 GLU 49 -19.659 -10.808 -1.515 356 2HB GLU 49 HB1 GLU 49 -20.963 -10.364 -2.607 357 1HG GLU 49 HG2 GLU 49 -21.293 -10.768 0.362 358 2HG GLU 49 HG1 GLU 49 -21.026 -9.208 -0.412 359 H THR 50 HN THR 50 -18.874 -13.574 -2.213 360 HA THR 50 HA THR 50 -19.092 -13.626 -5.146 361 HB THR 50 HB THR 50 -16.586 -14.212 -4.963 362 HG1 THR 50 HG1 THR 50 -16.740 -12.927 -2.453 363 1HG2 THR 50 HG21 THR 50 -17.567 -11.493 -4.070 364 2HG2 THR 50 HG22 THR 50 -17.399 -12.041 -5.739 365 3HG2 THR 50 HG23 THR 50 -15.968 -11.844 -4.728 366 H THR 51 HN THR 51 -20.298 -15.559 -3.131 367 HA THR 51 HA THR 51 -19.020 -18.034 -4.064 368 HB THR 51 HB THR 51 -21.241 -17.709 -2.027 369 HG1 THR 51 HG1 THR 51 -19.366 -16.817 -1.199 370 1HG2 THR 51 HG21 THR 51 -21.173 -19.929 -3.115 371 2HG2 THR 51 HG22 THR 51 -20.707 -20.020 -1.415 372 3HG2 THR 51 HG23 THR 51 -19.471 -20.083 -2.673 373 H ASP 52 HN ASP 52 -20.263 -19.635 -5.139 374 HA ASP 52 HA ASP 52 -21.848 -18.834 -7.232 375 1HB ASP 52 HB2 ASP 52 -20.742 -21.139 -6.739 376 2HB ASP 52 HB1 ASP 52 -22.249 -21.521 -5.925 377 HA PRO 53 HA PRO 53 -25.721 -17.657 -5.343 378 1HB PRO 53 HB2 PRO 53 -27.309 -18.227 -7.575 379 2HB PRO 53 HB1 PRO 53 -26.496 -16.693 -7.258 380 1HG PRO 53 HG2 PRO 53 -25.644 -18.968 -9.000 381 2HG PRO 53 HG1 PRO 53 -25.473 -17.222 -9.267 382 1HD PRO 53 HD2 PRO 53 -23.390 -18.719 -8.495 383 2HD PRO 53 HD1 PRO 53 -23.608 -17.069 -7.874 384 H GLU 54 HN GLU 54 -25.036 -20.740 -6.767 385 HA GLU 54 HA GLU 54 -27.417 -21.991 -5.635 386 1HB GLU 54 HB2 GLU 54 -25.118 -23.305 -7.098 387 2HB GLU 54 HB1 GLU 54 -26.712 -23.983 -6.796 388 1HG GLU 54 HG2 GLU 54 -26.011 -21.706 -8.640 389 2HG GLU 54 HG1 GLU 54 -26.588 -23.310 -9.087 390 H ARG 55 HN ARG 55 -23.969 -21.723 -5.020 391 HA ARG 55 HA ARG 55 -24.037 -23.804 -2.955 392 1HB ARG 55 HB2 ARG 55 -21.732 -22.085 -3.919 393 2HB ARG 55 HB1 ARG 55 -21.605 -23.429 -2.795 394 1HG ARG 55 HG2 ARG 55 -22.508 -23.660 -5.657 395 2HG ARG 55 HG1 ARG 55 -20.876 -23.976 -5.087 396 1HD ARG 55 HD2 ARG 55 -21.737 -25.769 -3.642 397 2HD ARG 55 HD1 ARG 55 -23.367 -25.460 -4.241 398 HE ARG 55 HE ARG 55 -22.599 -26.177 -6.438 399 1HH1 ARG 55 HH11 ARG 55 -20.573 -27.043 -3.709 400 2HH1 ARG 55 HH12 ARG 55 -19.813 -28.365 -4.541 401 1HH2 ARG 55 HH21 ARG 55 -21.574 -27.925 -7.522 402 2HH2 ARG 55 HH22 ARG 55 -20.370 -28.859 -6.690 403 H ARG 56 HN ARG 56 -24.475 -20.460 -3.198 404 HA ARG 56 HA ARG 56 -23.042 -19.523 -0.961 405 1HB ARG 56 HB2 ARG 56 -24.182 -18.244 -2.961 406 2HB ARG 56 HB1 ARG 56 -25.559 -18.169 -1.870 407 1HG ARG 56 HG2 ARG 56 -24.087 -17.107 -0.172 408 2HG ARG 56 HG1 ARG 56 -22.793 -17.084 -1.369 409 1HD ARG 56 HD2 ARG 56 -23.702 -14.946 -1.506 410 2HD ARG 56 HD1 ARG 56 -24.468 -15.798 -2.848 411 HE ARG 56 HE ARG 56 -26.328 -16.161 -1.044 412 1HH1 ARG 56 HH11 ARG 56 -24.477 -13.263 -1.707 413 2HH1 ARG 56 HH12 ARG 56 -25.638 -12.202 -0.982 414 1HH2 ARG 56 HH21 ARG 56 -27.871 -14.755 -0.107 415 2HH2 ARG 56 HH22 ARG 56 -27.579 -13.045 -0.096 416 H ASP 57 HN ASP 57 -26.022 -21.194 -1.222 417 HA ASP 57 HA ASP 57 -27.255 -20.368 1.191 418 1HB ASP 57 HB2 ASP 57 -28.448 -21.530 -0.654 419 2HB ASP 57 HB1 ASP 57 -27.544 -22.997 -0.297 420 H LEU 58 HN LEU 58 -24.760 -22.658 0.422 421 HA LEU 58 HA LEU 58 -24.884 -24.041 2.958 422 1HB LEU 58 HB2 LEU 58 -22.879 -24.199 0.695 423 2HB LEU 58 HB1 LEU 58 -22.860 -25.227 2.114 424 HG LEU 58 HG LEU 58 -25.175 -26.024 1.414 425 1HD1 LEU 58 HD11 LEU 58 -25.765 -25.787 -0.949 426 2HD1 LEU 58 HD12 LEU 58 -24.416 -24.672 -1.170 427 3HD1 LEU 58 HD13 LEU 58 -25.758 -24.235 -0.112 428 1HD2 LEU 58 HD21 LEU 58 -24.287 -27.624 -0.203 429 2HD2 LEU 58 HD22 LEU 58 -23.161 -27.379 1.131 430 3HD2 LEU 58 HD23 LEU 58 -22.857 -26.615 -0.429 431 H PHE 59 HN PHE 59 -23.784 -21.073 2.113 432 HA PHE 59 HA PHE 59 -21.357 -21.142 3.745 433 1HB PHE 59 HB2 PHE 59 -22.451 -19.291 1.682 434 2HB PHE 59 HB1 PHE 59 -21.459 -18.576 2.948 435 HD1 PHE 59 HD1 PHE 59 -21.189 -21.838 1.131 436 HD2 PHE 59 HD2 PHE 59 -19.402 -18.078 2.045 437 HE1 PHE 59 HE1 PHE 59 -19.145 -22.521 -0.058 438 HE2 PHE 59 HE2 PHE 59 -17.360 -18.756 0.858 439 HZ PHE 59 HZ PHE 59 -17.227 -20.980 -0.194 440 H ASP 60 HN ASP 60 -21.299 -20.489 5.766 441 HA ASP 60 HA ASP 60 -23.429 -18.714 6.789 442 1HB ASP 60 HB2 ASP 60 -22.018 -20.999 8.199 443 2HB ASP 60 HB1 ASP 60 -23.041 -19.826 9.021 444 H HIS 61 HN HIS 61 -22.797 -17.091 8.211 445 HA HIS 61 HA HIS 61 -20.276 -15.931 7.751 446 1HB HIS 61 HB2 HIS 61 -22.414 -15.374 9.814 447 2HB HIS 61 HB1 HIS 61 -20.930 -14.435 9.733 448 HD1 HIS 61 HD1 HIS 61 -24.269 -14.745 8.216 449 HD2 HIS 61 HD2 HIS 61 -20.657 -12.896 7.307 450 HE1 HIS 61 HE1 HIS 61 -24.809 -13.025 6.467 451 HE2 HIS 61 HE2 HIS 61 -22.584 -12.050 5.806 452 H ASP 62 HN ASP 62 -21.551 -17.667 10.573 453 HA ASP 62 HA ASP 62 -19.328 -17.299 12.254 454 1HB ASP 62 HB2 ASP 62 -21.454 -19.450 12.225 455 2HB ASP 62 HB1 ASP 62 -20.232 -19.324 13.486 456 H VAL 63 HN VAL 63 -20.150 -19.969 10.067 457 HA VAL 63 HA VAL 63 -18.028 -21.666 10.754 458 HB VAL 63 HB VAL 63 -19.386 -21.427 8.056 459 1HG1 VAL 63 HG11 VAL 63 -17.303 -22.677 7.912 460 2HG1 VAL 63 HG12 VAL 63 -18.680 -23.766 7.742 461 3HG1 VAL 63 HG13 VAL 63 -17.796 -23.695 9.267 462 1HG2 VAL 63 HG21 VAL 63 -20.835 -23.251 8.842 463 2HG2 VAL 63 HG22 VAL 63 -21.008 -21.807 9.839 464 3HG2 VAL 63 HG23 VAL 63 -20.064 -23.177 10.428 465 H ASN 64 HN ASN 64 -18.292 -19.324 8.080 466 HA ASN 64 HA ASN 64 -15.705 -19.653 7.057 467 1HB ASN 64 HB2 ASN 64 -17.457 -17.176 7.038 468 2HB ASN 64 HB1 ASN 64 -16.014 -17.392 6.053 469 1HD2 ASN 64 HD21 ASN 64 -18.747 -16.930 5.209 470 2HD2 ASN 64 HD22 ASN 64 -19.184 -18.269 4.212 471 H ARG 65 HN ARG 65 -16.947 -17.573 9.620 472 HA ARG 65 HA ARG 65 -14.606 -16.101 10.122 473 1HB ARG 65 HB2 ARG 65 -16.811 -15.500 11.055 474 2HB ARG 65 HB1 ARG 65 -16.769 -16.931 12.078 475 1HG ARG 65 HG2 ARG 65 -14.781 -16.042 13.221 476 2HG ARG 65 HG1 ARG 65 -14.860 -14.597 12.213 477 1HD ARG 65 HD2 ARG 65 -16.987 -15.530 14.145 478 2HD ARG 65 HD1 ARG 65 -15.845 -14.215 14.423 479 HE ARG 65 HE ARG 65 -17.808 -14.130 12.217 480 1HH1 ARG 65 HH11 ARG 65 -16.358 -12.703 15.065 481 2HH1 ARG 65 HH12 ARG 65 -17.162 -11.179 14.863 482 1HH2 ARG 65 HH21 ARG 65 -18.902 -12.153 11.977 483 2HH2 ARG 65 HH22 ARG 65 -18.632 -10.872 13.118 484 H ALA 66 HN ALA 66 -15.786 -19.146 11.522 485 HA ALA 66 HA ALA 66 -13.863 -19.591 13.448 486 1HB ALA 66 HB1 ALA 66 -15.851 -20.996 13.164 487 2HB ALA 66 HB2 ALA 66 -14.385 -21.973 13.234 488 3HB ALA 66 HB3 ALA 66 -15.170 -21.669 11.683 489 H TRP 67 HN TRP 67 -13.731 -20.334 9.994 490 HA TRP 67 HA TRP 67 -11.291 -21.707 9.958 491 1HB TRP 67 HB2 TRP 67 -12.720 -20.077 7.852 492 2HB TRP 67 HB1 TRP 67 -11.206 -20.912 7.522 493 HD1 TRP 67 HD1 TRP 67 -14.115 -22.404 9.592 494 HE1 TRP 67 HE1 TRP 67 -14.950 -24.522 8.389 495 HE3 TRP 67 HE3 TRP 67 -11.279 -22.101 5.349 496 HZ2 TRP 67 HZ2 TRP 67 -14.476 -25.878 5.964 497 HZ3 TRP 67 HZ3 TRP 67 -11.531 -23.848 3.635 498 HH2 TRP 67 HH2 TRP 67 -13.097 -25.699 3.937 499 H MET 68 HN MET 68 -11.948 -18.224 9.491 500 HA MET 68 HA MET 68 -9.187 -17.586 9.091 501 1HB MET 68 HB2 MET 68 -9.835 -15.292 9.049 502 2HB MET 68 HB1 MET 68 -11.092 -16.198 8.222 503 1HG MET 68 HG2 MET 68 -12.570 -15.996 10.079 504 2HG MET 68 HG1 MET 68 -11.292 -15.344 11.103 505 1HE MET 68 HE1 MET 68 -9.848 -13.385 9.000 506 2HE MET 68 HE2 MET 68 -10.157 -12.946 10.680 507 3HE MET 68 HE3 MET 68 -10.646 -11.860 9.382 508 H GLU 69 HN GLU 69 -11.122 -18.104 11.875 509 HA GLU 69 HA GLU 69 -9.511 -16.536 13.675 510 1HB GLU 69 HB2 GLU 69 -11.598 -18.665 14.211 511 2HB GLU 69 HB1 GLU 69 -10.828 -17.688 15.455 512 1HG GLU 69 HG2 GLU 69 -12.532 -16.634 13.200 513 2HG GLU 69 HG1 GLU 69 -13.057 -16.853 14.865 514 H GLU 70 HN GLU 70 -9.799 -19.977 12.846 515 HA GLU 70 HA GLU 70 -7.695 -20.753 14.658 516 1HB GLU 70 HB2 GLU 70 -7.916 -22.986 13.611 517 2HB GLU 70 HB1 GLU 70 -9.455 -22.349 14.173 518 1HG GLU 70 HG2 GLU 70 -10.111 -21.787 11.934 519 2HG GLU 70 HG1 GLU 70 -8.517 -22.208 11.313 520 H SER 71 HN SER 71 -7.883 -19.648 11.390 521 HA SER 71 HA SER 71 -4.993 -20.104 11.083 522 1HB SER 71 HB2 SER 71 -7.038 -20.527 8.883 523 2HB SER 71 HB1 SER 71 -5.296 -20.783 8.766 524 HG SER 71 HG SER 71 -7.152 -22.219 10.360 525 H ASP 72 HN ASP 72 -4.191 -18.097 11.147 526 HA ASP 72 HA ASP 72 -5.585 -15.808 10.062 527 1HB ASP 72 HB2 ASP 72 -4.009 -15.758 12.072 528 2HB ASP 72 HB1 ASP 72 -2.683 -15.963 10.936 529 H PHE 73 HN PHE 73 -5.605 -15.409 7.895 530 HA PHE 73 HA PHE 73 -3.799 -16.817 6.154 531 1HB PHE 73 HB2 PHE 73 -5.995 -14.810 5.611 532 2HB PHE 73 HB1 PHE 73 -5.041 -15.570 4.338 533 HD1 PHE 73 HD1 PHE 73 -7.382 -16.278 7.130 534 HD2 PHE 73 HD2 PHE 73 -5.538 -17.749 3.579 535 HE1 PHE 73 HE1 PHE 73 -8.874 -18.232 7.166 536 HE2 PHE 73 HE2 PHE 73 -7.033 -19.703 3.612 537 HZ PHE 73 HZ PHE 73 -8.701 -19.948 5.408 538 H LEU 74 HN LEU 74 -1.832 -16.189 5.652 539 HA LEU 74 HA LEU 74 -1.059 -13.394 6.060 540 1HB LEU 74 HB2 LEU 74 0.460 -15.975 6.076 541 2HB LEU 74 HB1 LEU 74 1.316 -14.488 5.724 542 HG LEU 74 HG LEU 74 0.564 -13.577 7.920 543 1HD1 LEU 74 HD11 LEU 74 -0.321 -15.113 9.600 544 2HD1 LEU 74 HD12 LEU 74 -0.460 -16.373 8.373 545 3HD1 LEU 74 HD13 LEU 74 -1.433 -14.908 8.248 546 1HD2 LEU 74 HD21 LEU 74 2.101 -14.904 9.277 547 2HD2 LEU 74 HD22 LEU 74 2.768 -14.593 7.675 548 3HD2 LEU 74 HD23 LEU 74 2.092 -16.177 8.055 549 H GLU 75 HN GLU 75 -0.918 -15.949 3.594 550 HA GLU 75 HA GLU 75 -0.197 -13.942 1.586 551 1HB GLU 75 HB2 GLU 75 1.971 -14.703 2.267 552 2HB GLU 75 HB1 GLU 75 1.459 -16.383 2.258 553 1HG GLU 75 HG2 GLU 75 1.220 -16.280 -0.193 554 2HG GLU 75 HG1 GLU 75 1.785 -14.611 -0.162 555 H LEU 76 HN LEU 76 -0.987 -14.353 -0.412 556 HA LEU 76 HA LEU 76 -2.224 -16.984 -0.910 557 1HB LEU 76 HB2 LEU 76 -3.799 -15.098 -1.043 558 2HB LEU 76 HB1 LEU 76 -2.773 -14.316 -2.232 559 HG LEU 76 HG LEU 76 -3.165 -16.265 -3.763 560 1HD1 LEU 76 HD11 LEU 76 -5.223 -17.041 -1.696 561 2HD1 LEU 76 HD12 LEU 76 -3.752 -17.933 -2.087 562 3HD1 LEU 76 HD13 LEU 76 -5.029 -17.770 -3.292 563 1HD2 LEU 76 HD21 LEU 76 -5.435 -15.597 -4.400 564 2HD2 LEU 76 HD22 LEU 76 -4.421 -14.202 -4.036 565 3HD2 LEU 76 HD23 LEU 76 -5.618 -14.753 -2.862 566 H ARG 77 HN ARG 77 -1.487 -18.173 -2.599 567 HA ARG 77 HA ARG 77 0.604 -17.001 -4.310 568 1HB ARG 77 HB2 ARG 77 1.633 -18.411 -2.591 569 2HB ARG 77 HB1 ARG 77 0.569 -19.743 -3.015 570 1HG ARG 77 HG2 ARG 77 1.632 -19.934 -5.195 571 2HG ARG 77 HG1 ARG 77 2.658 -18.542 -4.834 572 1HD ARG 77 HD2 ARG 77 3.704 -19.738 -3.006 573 2HD ARG 77 HD1 ARG 77 2.616 -21.105 -3.237 574 HE ARG 77 HE ARG 77 3.858 -20.869 -5.642 575 1HH1 ARG 77 HH11 ARG 77 5.062 -21.027 -2.364 576 2HH1 ARG 77 HH12 ARG 77 6.465 -21.959 -2.780 577 1HH2 ARG 77 HH21 ARG 77 5.710 -22.071 -6.211 578 2HH2 ARG 77 HH22 ARG 77 6.838 -22.551 -4.980 579 H VAL 78 HN VAL 78 -0.551 -16.766 -6.132 580 HA VAL 78 HA VAL 78 -2.500 -18.714 -6.995 581 HB VAL 78 HB VAL 78 -1.420 -16.271 -8.416 582 1HG1 VAL 78 HG11 VAL 78 -3.891 -17.921 -8.983 583 2HG1 VAL 78 HG12 VAL 78 -2.434 -17.858 -9.975 584 3HG1 VAL 78 HG13 VAL 78 -3.447 -16.425 -9.806 585 1HG2 VAL 78 HG21 VAL 78 -2.477 -15.662 -6.314 586 2HG2 VAL 78 HG22 VAL 78 -3.912 -16.593 -6.742 587 3HG2 VAL 78 HG23 VAL 78 -3.484 -15.156 -7.671 588 H LEU 79 HN LEU 79 -1.996 -20.490 -8.109 589 HA LEU 79 HA LEU 79 0.680 -20.765 -9.223 590 1HB LEU 79 HB2 LEU 79 -1.538 -22.804 -8.957 591 2HB LEU 79 HB1 LEU 79 0.119 -23.141 -9.423 592 HG LEU 79 HG LEU 79 -0.793 -22.122 -6.723 593 1HD1 LEU 79 HD11 LEU 79 0.306 -24.808 -7.551 594 2HD1 LEU 79 HD12 LEU 79 -1.359 -24.460 -7.086 595 3HD1 LEU 79 HD13 LEU 79 -0.064 -24.306 -5.900 596 1HD2 LEU 79 HD21 LEU 79 1.982 -22.829 -7.689 597 2HD2 LEU 79 HD22 LEU 79 1.540 -22.427 -6.029 598 3HD2 LEU 79 HD23 LEU 79 1.393 -21.212 -7.297 599 H GLY 80 HN GLY 80 -2.687 -21.213 -10.333 600 1HA GLY 80 HA2 GLY 80 -2.061 -20.160 -12.933 601 2HA GLY 80 HA1 GLY 80 -2.270 -21.906 -12.957 602 H SER 81 HN SER 81 -3.920 -20.116 -14.377 603 HA SER 81 HA SER 81 -6.505 -20.676 -13.112 604 1HB SER 81 HB2 SER 81 -7.303 -18.386 -13.721 605 2HB SER 81 HB1 SER 81 -6.032 -18.369 -12.499 606 HG SER 81 HG SER 81 -5.004 -17.098 -13.812 607 H SER 82 HN SER 82 -8.287 -20.686 -14.626 608 HA SER 82 HA SER 82 -7.711 -20.497 -17.465 609 1HB SER 82 HB2 SER 82 -8.686 -23.113 -16.264 610 2HB SER 82 HB1 SER 82 -8.401 -22.787 -17.974 611 HG SER 82 HG SER 82 -6.150 -22.205 -17.008 612 H GLU 83 HN GLU 83 -9.381 -19.360 -18.248 613 HA GLU 83 HA GLU 83 -12.068 -19.748 -17.112 614 1HB GLU 83 HB2 GLU 83 -11.402 -17.423 -17.176 615 2HB GLU 83 HB1 GLU 83 -10.941 -17.550 -18.869 616 1HG GLU 83 HG2 GLU 83 -13.228 -17.827 -19.540 617 2HG GLU 83 HG1 GLU 83 -13.756 -17.928 -17.867 618 H LYS 84 HN LYS 84 -13.342 -21.144 -18.144 619 HA LYS 84 HA LYS 84 -12.931 -21.560 -21.039 620 1HB LYS 84 HB2 LYS 84 -14.206 -23.588 -19.202 621 2HB LYS 84 HB1 LYS 84 -13.508 -23.838 -20.795 622 1HG LYS 84 HG2 LYS 84 -11.987 -23.232 -18.262 623 2HG LYS 84 HG1 LYS 84 -12.103 -24.800 -19.060 624 1HD LYS 84 HD2 LYS 84 -10.907 -22.325 -20.311 625 2HD LYS 84 HD1 LYS 84 -9.971 -23.585 -19.510 626 1HE LYS 84 HE2 LYS 84 -10.810 -25.222 -21.151 627 2HE LYS 84 HE1 LYS 84 -11.711 -23.937 -21.956 628 1HZ LYS 84 HZ1 LYS 84 -9.643 -22.822 -22.452 629 2HZ LYS 84 HZ2 LYS 84 -9.591 -24.404 -23.047 630 3HZ LYS 84 HZ3 LYS 84 -8.761 -24.008 -21.629 631 H GLY 85 HN GLY 85 -14.391 -19.796 -21.448 632 1HA GLY 85 HA2 GLY 85 -16.434 -19.088 -22.233 633 2HA GLY 85 HA1 GLY 85 -17.069 -20.687 -21.882 634 H SER 86 HN SER 86 -17.607 -21.132 -19.584 635 HA SER 86 HA SER 86 -18.230 -18.726 -18.016 636 1HB SER 86 HB2 SER 86 -20.211 -20.946 -18.611 637 2HB SER 86 HB1 SER 86 -20.497 -19.563 -17.551 638 HG SER 86 HG SER 86 -19.637 -18.597 -19.849 639 H ARG 87 HN ARG 87 -17.286 -22.018 -18.194 640 HA ARG 87 HA ARG 87 -17.283 -22.324 -15.280 641 1HB ARG 87 HB2 ARG 87 -17.988 -24.230 -16.746 642 2HB ARG 87 HB1 ARG 87 -16.374 -24.254 -17.439 643 1HG ARG 87 HG2 ARG 87 -16.557 -26.003 -15.808 644 2HG ARG 87 HG1 ARG 87 -15.455 -24.768 -15.197 645 1HD ARG 87 HD2 ARG 87 -17.153 -23.890 -13.736 646 2HD ARG 87 HD1 ARG 87 -18.378 -24.938 -14.455 647 HE ARG 87 HE ARG 87 -16.302 -26.535 -13.443 648 1HH1 ARG 87 HH11 ARG 87 -18.897 -24.481 -12.271 649 2HH1 ARG 87 HH12 ARG 87 -19.062 -25.345 -10.778 650 1HH2 ARG 87 HH21 ARG 87 -16.549 -27.688 -11.519 651 2HH2 ARG 87 HH22 ARG 87 -17.738 -27.192 -10.350 652 H GLY 88 HN GLY 88 -15.426 -22.092 -14.093 653 1HA GLY 88 HA2 GLY 88 -12.882 -21.833 -15.562 654 2HA GLY 88 HA1 GLY 88 -13.402 -20.535 -14.496 655 H THR 89 HN THR 89 -11.005 -21.809 -14.150 656 HA THR 89 HA THR 89 -11.356 -22.855 -11.461 657 HB THR 89 HB THR 89 -9.855 -24.423 -13.585 658 HG1 THR 89 HG1 THR 89 -12.432 -24.514 -12.723 659 1HG2 THR 89 HG21 THR 89 -8.735 -24.572 -11.425 660 2HG2 THR 89 HG22 THR 89 -9.535 -26.099 -11.797 661 3HG2 THR 89 HG23 THR 89 -10.260 -24.983 -10.640 662 H VAL 90 HN VAL 90 -9.671 -22.316 -10.143 663 HA VAL 90 HA VAL 90 -7.138 -21.486 -11.347 664 HB VAL 90 HB VAL 90 -8.254 -19.366 -11.088 665 1HG1 VAL 90 HG11 VAL 90 -9.129 -18.552 -8.961 666 2HG1 VAL 90 HG12 VAL 90 -8.758 -20.101 -8.202 667 3HG1 VAL 90 HG13 VAL 90 -9.972 -20.012 -9.478 668 1HG2 VAL 90 HG21 VAL 90 -6.279 -19.755 -8.831 669 2HG2 VAL 90 HG22 VAL 90 -6.736 -18.209 -9.550 670 3HG2 VAL 90 HG23 VAL 90 -5.880 -19.411 -10.515 671 H GLU 91 HN GLU 91 -5.516 -22.414 -10.354 672 HA GLU 91 HA GLU 91 -5.976 -23.759 -7.791 673 1HB GLU 91 HB2 GLU 91 -5.123 -25.073 -9.742 674 2HB GLU 91 HB1 GLU 91 -3.678 -24.069 -9.750 675 1HG GLU 91 HG2 GLU 91 -3.095 -24.862 -7.521 676 2HG GLU 91 HG1 GLU 91 -4.566 -25.833 -7.468 677 H PHE 92 HN PHE 92 -4.894 -23.197 -5.973 678 HA PHE 92 HA PHE 92 -2.652 -21.346 -6.112 679 1HB PHE 92 HB2 PHE 92 -3.750 -19.740 -4.553 680 2HB PHE 92 HB1 PHE 92 -4.517 -19.805 -6.135 681 HD1 PHE 92 HD1 PHE 92 -4.892 -20.582 -2.571 682 HD2 PHE 92 HD2 PHE 92 -6.745 -20.727 -6.407 683 HE1 PHE 92 HE1 PHE 92 -7.067 -21.013 -1.505 684 HE2 PHE 92 HE2 PHE 92 -8.919 -21.157 -5.344 685 HZ PHE 92 HZ PHE 92 -9.083 -21.300 -2.889 686 H ILE 93 HN ILE 93 -1.810 -20.860 -3.926 687 HA ILE 93 HA ILE 93 -2.356 -22.983 -1.955 688 HB ILE 93 HB ILE 93 0.313 -21.753 -2.708 689 1HG1 ILE 93 HG12 ILE 93 -0.550 -24.658 -2.604 690 2HG1 ILE 93 HG11 ILE 93 -0.524 -23.694 -4.072 691 1HG2 ILE 93 HG21 ILE 93 -0.322 -23.541 -0.355 692 2HG2 ILE 93 HG22 ILE 93 0.167 -21.848 -0.280 693 3HG2 ILE 93 HG23 ILE 93 1.296 -23.065 -0.873 694 1HD1 ILE 93 HD11 ILE 93 1.431 -25.110 -3.922 695 2HD1 ILE 93 HD12 ILE 93 1.857 -24.394 -2.368 696 3HD1 ILE 93 HD13 ILE 93 1.896 -23.412 -3.834 697 H ALA 94 HN ALA 94 -3.312 -22.084 -0.258 698 HA ALA 94 HA ALA 94 -2.911 -19.256 0.344 699 1HB ALA 94 HB1 ALA 94 -4.780 -19.532 1.898 700 2HB ALA 94 HB2 ALA 94 -4.798 -21.268 1.583 701 3HB ALA 94 HB3 ALA 94 -5.200 -20.134 0.294 702 H ARG 95 HN ARG 95 -1.331 -18.696 1.697 703 HA ARG 95 HA ARG 95 -0.340 -20.616 3.673 704 1HB ARG 95 HB2 ARG 95 1.354 -19.419 2.345 705 2HB ARG 95 HB1 ARG 95 0.708 -17.878 2.899 706 1HG ARG 95 HG2 ARG 95 1.192 -18.942 5.284 707 2HG ARG 95 HG1 ARG 95 2.363 -19.879 4.359 708 1HD ARG 95 HD2 ARG 95 2.189 -16.867 4.496 709 2HD ARG 95 HD1 ARG 95 3.375 -17.876 5.319 710 HE ARG 95 HE ARG 95 3.198 -17.797 2.375 711 1HH1 ARG 95 HH11 ARG 95 5.047 -17.463 5.342 712 2HH1 ARG 95 HH12 ARG 95 6.563 -17.279 4.510 713 1HH2 ARG 95 HH21 ARG 95 5.165 -17.503 1.301 714 2HH2 ARG 95 HH22 ARG 95 6.629 -17.294 2.214 715 H PHE 96 HN PHE 96 -0.942 -20.509 5.724 716 HA PHE 96 HA PHE 96 -1.778 -17.956 6.865 717 1HB PHE 96 HB2 PHE 96 -3.690 -19.269 8.017 718 2HB PHE 96 HB1 PHE 96 -3.906 -18.762 6.346 719 HD1 PHE 96 HD1 PHE 96 -2.763 -21.696 8.368 720 HD2 PHE 96 HD2 PHE 96 -4.581 -20.317 4.768 721 HE1 PHE 96 HE1 PHE 96 -3.243 -24.020 7.718 722 HE2 PHE 96 HE2 PHE 96 -5.065 -22.637 4.123 723 HZ PHE 96 HZ PHE 96 -4.398 -24.492 5.595 724 H ARG 97 HN ARG 97 -1.629 -17.870 9.139 725 HA ARG 97 HA ARG 97 0.363 -19.683 10.227 726 1HB ARG 97 HB2 ARG 97 0.579 -17.211 10.493 727 2HB ARG 97 HB1 ARG 97 -0.899 -17.208 11.440 728 1HG ARG 97 HG2 ARG 97 0.141 -18.545 13.161 729 2HG ARG 97 HG1 ARG 97 1.605 -18.709 12.186 730 1HD ARG 97 HD2 ARG 97 1.633 -16.964 14.059 731 2HD ARG 97 HD1 ARG 97 2.186 -16.453 12.466 732 HE ARG 97 HE ARG 97 0.500 -14.928 12.429 733 1HH1 ARG 97 HH11 ARG 97 -0.428 -17.434 14.697 734 2HH1 ARG 97 HH12 ARG 97 -1.829 -16.588 15.257 735 1HH2 ARG 97 HH21 ARG 97 -1.326 -13.815 13.153 736 2HH2 ARG 97 HH22 ARG 97 -2.356 -14.522 14.362 737 H ARG 98 HN ARG 98 -0.313 -21.467 11.190 738 HA ARG 98 HA ARG 98 -3.063 -21.867 11.865 739 1HB ARG 98 HB2 ARG 98 -1.465 -23.618 10.952 740 2HB ARG 98 HB1 ARG 98 -0.728 -23.668 12.547 741 1HG ARG 98 HG2 ARG 98 -2.277 -25.496 12.315 742 2HG ARG 98 HG1 ARG 98 -2.901 -24.351 13.504 743 1HD ARG 98 HD2 ARG 98 -4.416 -23.415 11.836 744 2HD ARG 98 HD1 ARG 98 -3.755 -24.492 10.606 745 HE ARG 98 HE ARG 98 -4.654 -26.108 12.672 746 1HH1 ARG 98 HH11 ARG 98 -6.048 -23.848 10.377 747 2HH1 ARG 98 HH12 ARG 98 -7.606 -24.619 10.382 748 1HH2 ARG 98 HH21 ARG 98 -6.700 -27.130 12.643 749 2HH2 ARG 98 HH22 ARG 98 -7.968 -26.483 11.650 750 H GLY 99 HN GLY 99 -3.939 -21.060 13.641 751 1HA GLY 99 HA2 GLY 99 -4.305 -20.516 15.831 752 2HA GLY 99 HA1 GLY 99 -3.055 -21.680 16.246 753 H GLY 100 HN GLY 100 -1.046 -20.976 16.786 754 1HA GLY 100 HA2 GLY 100 -0.335 -18.166 16.416 755 2HA GLY 100 HA1 GLY 100 -0.527 -18.723 18.075 756 H GLY 101 HN GLY 101 0.847 -20.356 15.238 757 1HA GLY 101 HA2 GLY 101 3.517 -20.182 16.430 758 2HA GLY 101 HA1 GLY 101 2.837 -21.783 16.193 759 HA PRO 102 HA PRO 102 4.817 -21.546 12.277 760 1HB PRO 102 HB2 PRO 102 4.064 -23.890 11.240 761 2HB PRO 102 HB1 PRO 102 5.069 -23.819 12.693 762 1HG PRO 102 HG2 PRO 102 2.121 -24.302 12.453 763 2HG PRO 102 HG1 PRO 102 3.307 -25.115 13.492 764 1HD PRO 102 HD2 PRO 102 1.633 -23.070 14.320 765 2HD PRO 102 HD1 PRO 102 3.164 -23.501 15.109 766 H GLU 103 HN GLU 103 4.479 -21.383 10.018 767 HA GLU 103 HA GLU 103 1.792 -20.539 9.222 768 1HB GLU 103 HB2 GLU 103 4.422 -20.388 7.718 769 2HB GLU 103 HB1 GLU 103 2.894 -19.699 7.189 770 1HG GLU 103 HG2 GLU 103 2.914 -18.081 8.916 771 2HG GLU 103 HG1 GLU 103 4.249 -18.886 9.741 772 H GLN 104 HN GLN 104 0.527 -22.103 8.485 773 HA GLN 104 HA GLN 104 1.692 -24.393 7.056 774 1HB GLN 104 HB2 GLN 104 0.272 -24.913 9.013 775 2HB GLN 104 HB1 GLN 104 -1.069 -24.056 8.266 776 1HG GLN 104 HG2 GLN 104 -1.127 -25.678 6.453 777 2HG GLN 104 HG1 GLN 104 0.261 -26.520 7.143 778 1HE2 GLN 104 HE21 GLN 104 -3.135 -25.836 7.476 779 2HE2 GLN 104 HE22 GLN 104 -3.472 -27.065 8.639 780 H SER 105 HN SER 105 0.865 -25.010 5.028 781 HA SER 105 HA SER 105 -0.574 -22.857 3.622 782 1HB SER 105 HB2 SER 105 0.685 -23.764 1.579 783 2HB SER 105 HB1 SER 105 1.638 -22.889 2.776 784 HG SER 105 HG SER 105 2.190 -25.215 1.873 785 H HIS 106 HN HIS 106 -2.187 -23.374 2.210 786 HA HIS 106 HA HIS 106 -3.075 -26.190 2.141 787 1HB HIS 106 HB2 HIS 106 -4.544 -24.736 3.512 788 2HB HIS 106 HB1 HIS 106 -4.783 -23.680 2.129 789 HD1 HIS 106 HD1 HIS 106 -6.071 -26.720 3.733 790 HD2 HIS 106 HD2 HIS 106 -6.352 -24.882 0.016 791 HE1 HIS 106 HE1 HIS 106 -8.051 -27.776 2.606 792 HE2 HIS 106 HE2 HIS 106 -8.325 -26.494 0.454 793 H HIS 107 HN HIS 107 -2.533 -26.920 0.190 794 HA HIS 107 HA HIS 107 -2.619 -25.204 -2.168 795 1HB HIS 107 HB2 HIS 107 -0.674 -26.611 -1.943 796 2HB HIS 107 HB1 HIS 107 -1.664 -28.037 -1.701 797 HD1 HIS 107 HD1 HIS 107 -0.751 -29.357 -3.656 798 HD2 HIS 107 HD2 HIS 107 -2.248 -25.638 -4.763 799 HE1 HIS 107 HE1 HIS 107 -0.735 -29.345 -6.168 800 HE2 HIS 107 HE2 HIS 107 -1.500 -27.034 -6.815 801 H GLU 108 HN GLU 108 -4.605 -24.916 -2.985 802 HA GLU 108 HA GLU 108 -6.296 -27.288 -3.408 803 1HB GLU 108 HB2 GLU 108 -7.273 -26.286 -1.499 804 2HB GLU 108 HB1 GLU 108 -7.100 -24.663 -2.152 805 1HG GLU 108 HG2 GLU 108 -8.841 -25.064 -3.760 806 2HG GLU 108 HG1 GLU 108 -8.925 -26.764 -3.310 807 H ARG 109 HN ARG 109 -7.531 -27.306 -5.215 808 HA ARG 109 HA ARG 109 -7.178 -25.088 -7.128 809 1HB ARG 109 HB2 ARG 109 -6.101 -27.148 -7.891 810 2HB ARG 109 HB1 ARG 109 -7.588 -28.050 -7.639 811 1HG ARG 109 HG2 ARG 109 -8.672 -26.914 -9.438 812 2HG ARG 109 HG1 ARG 109 -7.336 -25.770 -9.594 813 1HD ARG 109 HD2 ARG 109 -7.296 -27.513 -11.338 814 2HD ARG 109 HD1 ARG 109 -5.853 -27.536 -10.326 815 HE ARG 109 HE ARG 109 -8.092 -29.409 -9.876 816 1HH1 ARG 109 HH11 ARG 109 -4.670 -28.779 -10.308 817 2HH1 ARG 109 HH12 ARG 109 -4.220 -30.449 -10.171 818 1HH2 ARG 109 HH21 ARG 109 -7.486 -31.599 -9.633 819 2HH2 ARG 109 HH22 ARG 109 -5.811 -32.040 -9.745 820 H SER 110 HN SER 110 -8.967 -23.887 -6.904 821 HA SER 110 HA SER 110 -11.508 -25.183 -6.262 822 1HB SER 110 HB2 SER 110 -10.919 -22.215 -6.321 823 2HB SER 110 HB1 SER 110 -12.226 -23.045 -5.475 824 HG SER 110 HG SER 110 -10.856 -23.686 -3.937 825 H GLN 111 HN GLN 111 -13.282 -25.115 -7.539 826 HA GLN 111 HA GLN 111 -13.006 -24.038 -10.246 827 1HB GLN 111 HB2 GLN 111 -15.091 -25.853 -9.009 828 2HB GLN 111 HB1 GLN 111 -15.184 -25.240 -10.651 829 1HG GLN 111 HG2 GLN 111 -14.364 -27.472 -10.726 830 2HG GLN 111 HG1 GLN 111 -13.042 -26.390 -11.152 831 1HE2 GLN 111 HE21 GLN 111 -11.268 -26.260 -9.816 832 2HE2 GLN 111 HE22 GLN 111 -11.000 -27.337 -8.494 833 H PHE 112 HN PHE 112 -14.311 -22.461 -11.045 834 HA PHE 112 HA PHE 112 -16.177 -21.138 -9.187 835 1HB PHE 112 HB2 PHE 112 -14.090 -19.855 -10.974 836 2HB PHE 112 HB1 PHE 112 -15.420 -18.958 -10.255 837 HD1 PHE 112 HD1 PHE 112 -12.483 -21.075 -9.376 838 HD2 PHE 112 HD2 PHE 112 -15.216 -18.059 -8.114 839 HE1 PHE 112 HE1 PHE 112 -11.141 -20.706 -7.348 840 HE2 PHE 112 HE2 PHE 112 -13.877 -17.691 -6.085 841 HZ PHE 112 HZ PHE 112 -11.837 -19.014 -5.700 842 H ARG 113 HN ARG 113 -17.839 -19.910 -10.240 843 HA ARG 113 HA ARG 113 -18.432 -20.755 -13.001 844 1HB ARG 113 HB2 ARG 113 -19.971 -21.873 -11.559 845 2HB ARG 113 HB1 ARG 113 -20.249 -20.418 -10.612 846 1HG ARG 113 HG2 ARG 113 -21.395 -19.393 -12.516 847 2HG ARG 113 HG1 ARG 113 -21.111 -20.850 -13.473 848 1HD ARG 113 HD2 ARG 113 -22.475 -22.157 -11.976 849 2HD ARG 113 HD1 ARG 113 -22.634 -20.795 -10.865 850 HE ARG 113 HE ARG 113 -23.641 -20.426 -13.575 851 1HH1 ARG 113 HH11 ARG 113 -24.331 -21.078 -10.196 852 2HH1 ARG 113 HH12 ARG 113 -26.018 -20.697 -10.343 853 1HH2 ARG 113 HH21 ARG 113 -25.846 -19.900 -13.771 854 2HH2 ARG 113 HH22 ARG 113 -26.886 -20.025 -12.387 855 H LYS 114 HN LYS 114 -18.950 -19.187 -14.422 856 HA LYS 114 HA LYS 114 -18.745 -16.419 -13.515 857 1HB LYS 114 HB2 LYS 114 -17.445 -17.416 -15.491 858 2HB LYS 114 HB1 LYS 114 -18.968 -17.354 -16.371 859 1HG LYS 114 HG2 LYS 114 -19.069 -14.982 -16.188 860 2HG LYS 114 HG1 LYS 114 -17.725 -14.953 -15.044 861 1HD LYS 114 HD2 LYS 114 -16.302 -15.953 -16.899 862 2HD LYS 114 HD1 LYS 114 -17.645 -15.599 -17.991 863 1HE LYS 114 HE2 LYS 114 -17.518 -13.238 -17.369 864 2HE LYS 114 HE1 LYS 114 -16.181 -13.591 -16.281 865 1HZ LYS 114 HZ1 LYS 114 -15.527 -12.699 -18.504 866 2HZ LYS 114 HZ2 LYS 114 -16.070 -14.145 -19.193 867 3HZ LYS 114 HZ3 LYS 114 -14.790 -14.165 -18.086 868 H ALA 115 HN ALA 115 -20.616 -15.593 -12.823 869 HA ALA 115 HA ALA 115 -23.027 -15.987 -14.483 870 1HB ALA 115 HB1 ALA 115 -24.387 -15.886 -12.462 871 2HB ALA 115 HB2 ALA 115 -22.938 -15.702 -11.474 872 3HB ALA 115 HB3 ALA 115 -23.220 -17.204 -12.353 873 H ARG 116 HN ARG 116 -23.875 -14.179 -15.262 874 HA ARG 116 HA ARG 116 -24.306 -11.994 -15.686 875 1HB ARG 116 HB2 ARG 116 -25.194 -12.214 -13.282 876 2HB ARG 116 HB1 ARG 116 -23.711 -11.418 -12.776 877 1HG ARG 116 HG2 ARG 116 -25.474 -9.791 -12.918 878 2HG ARG 116 HG1 ARG 116 -24.307 -9.480 -14.205 879 1HD ARG 116 HD2 ARG 116 -26.571 -9.267 -15.059 880 2HD ARG 116 HD1 ARG 116 -25.775 -10.657 -15.797 881 HE ARG 116 HE ARG 116 -27.819 -10.793 -13.668 882 1HH1 ARG 116 HH11 ARG 116 -26.112 -12.274 -16.356 883 2HH1 ARG 116 HH12 ARG 116 -27.126 -13.680 -16.380 884 1HH2 ARG 116 HH21 ARG 116 -29.137 -12.635 -13.703 885 2HH2 ARG 116 HH22 ARG 116 -28.834 -13.896 -14.857 886 H GLY 117 HN GLY 117 -21.502 -13.108 -15.639 887 1HA GLY 117 HA2 GLY 117 -19.564 -12.138 -16.532 888 2HA GLY 117 HA1 GLY 117 -20.128 -10.558 -16.015 889 H ARG 118 HN ARG 118 -20.672 -12.089 -13.312 890 HA ARG 118 HA ARG 118 -18.043 -11.458 -12.200 891 1HB ARG 118 HB2 ARG 118 -20.559 -12.311 -10.740 892 2HB ARG 118 HB1 ARG 118 -19.073 -11.746 -9.998 893 1HG ARG 118 HG2 ARG 118 -20.473 -9.911 -9.870 894 2HG ARG 118 HG1 ARG 118 -19.494 -9.565 -11.296 895 1HD ARG 118 HD2 ARG 118 -21.265 -10.257 -12.757 896 2HD ARG 118 HD1 ARG 118 -22.219 -10.858 -11.401 897 HE ARG 118 HE ARG 118 -21.714 -8.034 -12.055 898 1HH1 ARG 118 HH11 ARG 118 -23.445 -10.465 -10.216 899 2HH1 ARG 118 HH12 ARG 118 -24.674 -9.367 -9.674 900 1HH2 ARG 118 HH21 ARG 118 -23.331 -6.581 -11.332 901 2HH2 ARG 118 HH22 ARG 118 -24.611 -7.158 -10.313 902 H TRP 119 HN TRP 119 -16.961 -12.973 -10.801 903 HA TRP 119 HA TRP 119 -17.518 -15.765 -11.510 904 1HB TRP 119 HB2 TRP 119 -15.001 -14.315 -10.743 905 2HB TRP 119 HB1 TRP 119 -15.121 -16.061 -10.522 906 HD1 TRP 119 HD1 TRP 119 -14.684 -13.435 -13.226 907 HE1 TRP 119 HE1 TRP 119 -14.319 -14.631 -15.488 908 HE3 TRP 119 HE3 TRP 119 -15.830 -18.193 -11.814 909 HZ2 TRP 119 HZ2 TRP 119 -14.533 -17.231 -16.512 910 HZ3 TRP 119 HZ3 TRP 119 -15.740 -19.983 -13.500 911 HH2 TRP 119 HH2 TRP 119 -15.101 -19.509 -15.806 912 H TYR 120 HN TYR 120 -18.210 -17.126 -10.061 913 HA TYR 120 HA TYR 120 -18.190 -16.344 -7.219 914 1HB TYR 120 HB2 TYR 120 -20.351 -17.795 -8.774 915 2HB TYR 120 HB1 TYR 120 -20.367 -17.537 -7.035 916 HD1 TYR 120 HD1 TYR 120 -20.725 -15.276 -6.114 917 HD2 TYR 120 HD2 TYR 120 -20.909 -16.006 -10.305 918 HE1 TYR 120 HE1 TYR 120 -21.853 -13.118 -6.435 919 HE2 TYR 120 HE2 TYR 120 -22.039 -13.848 -10.633 920 HH TYR 120 HH TYR 120 -22.304 -11.503 -8.084 921 H PHE 121 HN PHE 121 -17.635 -17.908 -5.762 922 HA PHE 121 HA PHE 121 -16.137 -20.142 -6.634 923 1HB PHE 121 HB2 PHE 121 -15.527 -19.221 -4.550 924 2HB PHE 121 HB1 PHE 121 -17.178 -19.264 -3.942 925 HD1 PHE 121 HD1 PHE 121 -14.164 -21.261 -4.619 926 HD2 PHE 121 HD2 PHE 121 -18.103 -21.274 -2.996 927 HE1 PHE 121 HE1 PHE 121 -13.723 -23.432 -3.559 928 HE2 PHE 121 HE2 PHE 121 -17.671 -23.445 -1.937 929 HZ PHE 121 HZ PHE 121 -15.469 -24.527 -2.208 930 H SER 122 HN SER 122 -16.833 -22.063 -7.318 931 HA SER 122 HA SER 122 -19.597 -22.868 -6.761 932 1HB SER 122 HB2 SER 122 -17.594 -24.045 -8.711 933 2HB SER 122 HB1 SER 122 -19.301 -24.473 -8.590 934 HG SER 122 HG SER 122 -19.759 -22.244 -9.109 935 H GLU 123 HN GLU 123 -16.288 -24.182 -6.660 936 HA GLU 123 HA GLU 123 -16.808 -25.753 -4.338 937 1HB GLU 123 HB2 GLU 123 -16.459 -27.973 -5.447 938 2HB GLU 123 HB1 GLU 123 -17.992 -27.202 -5.852 939 1HG GLU 123 HG2 GLU 123 -16.769 -26.316 -7.933 940 2HG GLU 123 HG1 GLU 123 -15.541 -27.523 -7.555 941 H GLY 124 HN GLY 124 -14.911 -27.305 -3.961 942 1HA GLY 124 HA2 GLY 124 -12.470 -27.061 -5.299 943 2HA GLY 124 HA1 GLY 124 -12.513 -25.829 -4.042 944 H GLU 125 HN GLU 125 -10.599 -27.708 -3.870 945 HA GLU 125 HA GLU 125 -11.021 -28.789 -1.296 946 1HB GLU 125 HB2 GLU 125 -10.840 -31.185 -1.837 947 2HB GLU 125 HB1 GLU 125 -12.326 -30.483 -2.466 948 1HG GLU 125 HG2 GLU 125 -11.221 -30.296 -4.691 949 2HG GLU 125 HG1 GLU 125 -9.834 -31.158 -4.024 950 H ALA 126 HN ALA 126 -9.112 -29.711 -0.409 951 HA ALA 126 HA ALA 126 -6.689 -28.653 -1.326 952 1HB ALA 126 HB1 ALA 126 -5.621 -30.102 0.345 953 2HB ALA 126 HB2 ALA 126 -7.136 -30.985 0.544 954 3HB ALA 126 HB3 ALA 126 -7.040 -29.285 1.001 955 H VAL 127 HN VAL 127 -5.781 -29.161 -3.196 956 HA VAL 127 HA VAL 127 -6.204 -31.763 -4.405 957 HB VAL 127 HB VAL 127 -6.454 -29.818 -5.835 958 1HG1 VAL 127 HG11 VAL 127 -4.951 -28.279 -4.683 959 2HG1 VAL 127 HG12 VAL 127 -4.589 -28.352 -6.407 960 3HG1 VAL 127 HG13 VAL 127 -3.558 -29.199 -5.253 961 1HG2 VAL 127 HG21 VAL 127 -5.643 -31.873 -6.870 962 2HG2 VAL 127 HG22 VAL 127 -3.976 -31.390 -6.554 963 3HG2 VAL 127 HG23 VAL 127 -4.968 -30.458 -7.677 964 H ASP 128 HN ASP 128 -4.775 -33.363 -4.452 965 HA ASP 128 HA ASP 128 -2.255 -33.073 -3.054 966 1HB ASP 128 HB2 ASP 128 -3.632 -35.056 -2.642 967 2HB ASP 128 HB1 ASP 128 -3.551 -35.491 -4.347 Start of MODEL 8 1 1H MET 1 HT1 MET 1 3.768 0.020 1.070 2 2H MET 1 HT2 MET 1 3.147 0.345 -0.469 3 3H MET 1 HT3 MET 1 3.887 -1.143 -0.153 4 HA MET 1 HA MET 1 2.163 -1.738 1.383 5 1HB MET 1 HB2 MET 1 0.998 0.948 0.595 6 2HB MET 1 HB1 MET 1 0.106 -0.294 1.462 7 1HG MET 1 HG2 MET 1 1.680 -0.148 3.319 8 2HG MET 1 HG1 MET 1 2.603 1.077 2.448 9 1HE MET 1 HE1 MET 1 1.468 1.420 5.442 10 2HE MET 1 HE2 MET 1 0.886 3.083 5.375 11 3HE MET 1 HE3 MET 1 2.420 2.656 4.617 12 H ASN 2 HN ASN 2 1.738 -3.414 0.084 13 HA ASN 2 HA ASN 2 0.310 -2.915 -2.447 14 1HB ASN 2 HB2 ASN 2 1.891 -5.344 -1.549 15 2HB ASN 2 HB1 ASN 2 0.981 -5.248 -3.052 16 1HD2 ASN 2 HD21 ASN 2 1.727 -2.426 -3.489 17 2HD2 ASN 2 HD22 ASN 2 3.372 -2.464 -4.012 18 H CYS 3 HN CYS 3 -1.239 -4.768 -2.992 19 HA CYS 3 HA CYS 3 -3.115 -4.964 -0.781 20 1HB CYS 3 HB2 CYS 3 -3.600 -4.431 -3.311 21 2HB CYS 3 HB1 CYS 3 -3.564 -6.186 -3.489 22 H VAL 4 HN VAL 4 -3.407 -6.765 0.445 23 HA VAL 4 HA VAL 4 -1.899 -9.115 0.146 24 HB VAL 4 HB VAL 4 -3.613 -10.164 1.699 25 1HG1 VAL 4 HG11 VAL 4 -1.570 -9.091 2.503 26 2HG1 VAL 4 HG12 VAL 4 -2.908 -8.827 3.623 27 3HG1 VAL 4 HG13 VAL 4 -2.393 -7.532 2.541 28 1HG2 VAL 4 HG21 VAL 4 -5.555 -8.839 1.022 29 2HG2 VAL 4 HG22 VAL 4 -4.785 -7.376 1.635 30 3HG2 VAL 4 HG23 VAL 4 -5.248 -8.662 2.751 31 H CYS 5 HN CYS 5 -2.062 -9.624 -2.010 32 HA CYS 5 HA CYS 5 -4.096 -11.460 -2.785 33 1HB CYS 5 HB2 CYS 5 -4.012 -8.782 -4.190 34 2HB CYS 5 HB1 CYS 5 -4.877 -10.193 -4.784 35 H GLY 6 HN GLY 6 -3.652 -12.316 -5.021 36 1HA GLY 6 HA2 GLY 6 -0.874 -12.256 -5.766 37 2HA GLY 6 HA1 GLY 6 -2.182 -13.024 -6.662 38 H SER 7 HN SER 7 -1.422 -9.696 -5.674 39 HA SER 7 HA SER 7 -1.303 -8.709 -8.365 40 1HB SER 7 HB2 SER 7 -3.590 -7.774 -6.594 41 2HB SER 7 HB1 SER 7 -3.252 -7.263 -8.248 42 HG SER 7 HG SER 7 -3.573 -9.554 -8.801 43 H GLY 8 HN GLY 8 0.320 -7.279 -8.204 44 1HA GLY 8 HA2 GLY 8 1.247 -6.296 -5.690 45 2HA GLY 8 HA1 GLY 8 1.868 -5.854 -7.272 46 H LYS 9 HN LYS 9 -1.312 -5.271 -7.508 47 HA LYS 9 HA LYS 9 -1.020 -2.445 -7.355 48 1HB LYS 9 HB2 LYS 9 -3.618 -3.985 -7.565 49 2HB LYS 9 HB1 LYS 9 -3.304 -2.333 -8.090 50 1HG LYS 9 HG2 LYS 9 -1.578 -3.364 -9.668 51 2HG LYS 9 HG1 LYS 9 -2.355 -4.905 -9.315 52 1HD LYS 9 HD2 LYS 9 -3.718 -2.461 -10.470 53 2HD LYS 9 HD1 LYS 9 -3.205 -3.875 -11.388 54 1HE LYS 9 HE2 LYS 9 -4.730 -5.260 -9.978 55 2HE LYS 9 HE1 LYS 9 -5.312 -3.773 -9.228 56 1HZ LYS 9 HZ1 LYS 9 -6.017 -3.007 -11.426 57 2HZ LYS 9 HZ2 LYS 9 -6.776 -4.457 -11.003 58 3HZ LYS 9 HZ3 LYS 9 -5.498 -4.466 -12.108 59 H THR 10 HN THR 10 -2.626 -1.079 -6.148 60 HA THR 10 HA THR 10 -2.328 -1.539 -3.352 61 HB THR 10 HB THR 10 -3.546 0.566 -3.072 62 HG1 THR 10 HG1 THR 10 -3.961 1.371 -5.548 63 1HG2 THR 10 HG21 THR 10 -2.105 2.043 -4.411 64 2HG2 THR 10 HG22 THR 10 -1.634 0.670 -5.412 65 3HG2 THR 10 HG23 THR 10 -1.184 0.712 -3.707 66 H TYR 11 HN TYR 11 -4.381 -1.006 -1.941 67 HA TYR 11 HA TYR 11 -6.274 -3.063 -2.125 68 1HB TYR 11 HB2 TYR 11 -5.918 -1.997 -0.004 69 2HB TYR 11 HB1 TYR 11 -6.312 -0.414 -0.661 70 HD1 TYR 11 HD2 TYR 11 -7.814 -3.750 0.074 71 HD2 TYR 11 HD1 TYR 11 -8.504 0.412 -0.516 72 HE1 TYR 11 HE2 TYR 11 -10.153 -4.040 0.770 73 HE2 TYR 11 HE1 TYR 11 -10.843 0.129 0.180 74 HH TYR 11 HH TYR 11 -11.979 -2.610 1.741 75 H ASP 12 HN ASP 12 -6.507 0.378 -2.986 76 HA ASP 12 HA ASP 12 -9.166 0.288 -3.932 77 1HB ASP 12 HB2 ASP 12 -8.183 2.412 -3.339 78 2HB ASP 12 HB1 ASP 12 -6.906 2.213 -4.535 79 H ASP 13 HN ASP 13 -6.096 0.384 -5.763 80 HA ASP 13 HA ASP 13 -7.239 0.225 -8.306 81 1HB ASP 13 HB2 ASP 13 -4.511 -0.572 -7.290 82 2HB ASP 13 HB1 ASP 13 -4.952 -0.749 -8.984 83 H CYS 14 HN CYS 14 -6.448 -2.301 -6.018 84 HA CYS 14 HA CYS 14 -7.176 -4.349 -7.979 85 1HB CYS 14 HB2 CYS 14 -5.261 -5.049 -6.888 86 2HB CYS 14 HB1 CYS 14 -5.772 -4.414 -5.334 87 H CYS 15 HN CYS 15 -7.975 -4.109 -4.476 88 HA CYS 15 HA CYS 15 -10.354 -5.655 -4.940 89 1HB CYS 15 HB2 CYS 15 -9.143 -4.433 -2.474 90 2HB CYS 15 HB1 CYS 15 -10.737 -5.180 -2.439 91 H GLY 16 HN GLY 16 -9.711 -2.285 -4.944 92 1HA GLY 16 HA2 GLY 16 -11.832 -1.167 -3.593 93 2HA GLY 16 HA1 GLY 16 -11.060 -0.433 -4.985 94 HA PRO 17 HA PRO 17 -14.614 -1.083 -7.536 95 1HB PRO 17 HB2 PRO 17 -13.949 -2.757 -9.599 96 2HB PRO 17 HB1 PRO 17 -13.423 -1.074 -9.496 97 1HG PRO 17 HG2 PRO 17 -11.934 -3.573 -8.780 98 2HG PRO 17 HG1 PRO 17 -11.358 -2.134 -9.641 99 1HD PRO 17 HD2 PRO 17 -10.821 -2.551 -7.028 100 2HD PRO 17 HD1 PRO 17 -11.074 -0.923 -7.690 101 H LEU 18 HN LEU 18 -13.127 -4.113 -6.563 102 HA LEU 18 HA LEU 18 -15.409 -5.737 -7.201 103 1HB LEU 18 HB2 LEU 18 -12.891 -6.269 -5.625 104 2HB LEU 18 HB1 LEU 18 -14.171 -7.458 -5.758 105 HG LEU 18 HG LEU 18 -12.488 -8.021 -7.357 106 1HD1 LEU 18 HD11 LEU 18 -13.723 -7.959 -9.448 107 2HD1 LEU 18 HD12 LEU 18 -14.781 -6.702 -8.808 108 3HD1 LEU 18 HD13 LEU 18 -14.798 -8.316 -8.096 109 1HD2 LEU 18 HD21 LEU 18 -11.365 -5.859 -7.513 110 2HD2 LEU 18 HD22 LEU 18 -12.722 -5.209 -8.434 111 3HD2 LEU 18 HD23 LEU 18 -11.734 -6.503 -9.113 112 H LEU 19 HN LEU 19 -13.979 -4.567 -4.159 113 HA LEU 19 HA LEU 19 -16.066 -5.583 -2.514 114 1HB LEU 19 HB2 LEU 19 -13.743 -3.744 -2.120 115 2HB LEU 19 HB1 LEU 19 -15.004 -3.753 -0.902 116 HG LEU 19 HG LEU 19 -13.677 -6.320 -1.770 117 1HD1 LEU 19 HD11 LEU 19 -12.745 -4.463 0.424 118 2HD1 LEU 19 HD12 LEU 19 -11.877 -4.829 -1.069 119 3HD1 LEU 19 HD13 LEU 19 -12.145 -6.096 0.127 120 1HD2 LEU 19 HD21 LEU 19 -15.757 -6.495 -0.508 121 2HD2 LEU 19 HD22 LEU 19 -15.081 -5.481 0.768 122 3HD2 LEU 19 HD23 LEU 19 -14.388 -7.071 0.442 123 H ALA 20 HN ALA 20 -15.689 -2.732 -4.411 124 HA ALA 20 HA ALA 20 -17.727 -1.169 -3.175 125 1HB ALA 20 HB1 ALA 20 -17.645 0.177 -5.219 126 2HB ALA 20 HB2 ALA 20 -16.662 -1.061 -6.002 127 3HB ALA 20 HB3 ALA 20 -16.023 -0.169 -4.621 128 H ARG 21 HN ARG 21 -17.809 -4.003 -4.990 129 HA ARG 21 HA ARG 21 -19.483 -5.323 -5.764 130 1HB ARG 21 HB2 ARG 21 -21.340 -3.284 -4.506 131 2HB ARG 21 HB1 ARG 21 -21.805 -4.883 -5.064 132 1HG ARG 21 HG2 ARG 21 -19.866 -4.317 -2.822 133 2HG ARG 21 HG1 ARG 21 -21.562 -4.755 -2.622 134 1HD ARG 21 HD2 ARG 21 -19.418 -6.459 -3.899 135 2HD ARG 21 HD1 ARG 21 -20.103 -6.686 -2.291 136 HE ARG 21 HE ARG 21 -21.427 -7.228 -4.852 137 1HH1 ARG 21 HH11 ARG 21 -21.589 -7.246 -1.349 138 2HH1 ARG 21 HH12 ARG 21 -22.877 -8.408 -1.296 139 1HH2 ARG 21 HH21 ARG 21 -23.121 -8.782 -4.763 140 2HH2 ARG 21 HH22 ARG 21 -23.740 -9.275 -3.215 141 H THR 22 HN THR 22 -18.632 -2.596 -7.103 142 HA THR 22 HA THR 22 -20.956 -2.144 -8.806 143 HB THR 22 HB THR 22 -19.890 -0.163 -7.866 144 HG1 THR 22 HG1 THR 22 -20.828 0.139 -9.878 145 1HG2 THR 22 HG21 THR 22 -17.584 -0.997 -7.685 146 2HG2 THR 22 HG22 THR 22 -17.644 0.539 -8.549 147 3HG2 THR 22 HG23 THR 22 -17.433 -0.967 -9.443 148 H ARG 23 HN ARG 23 -17.588 -3.205 -9.076 149 HA ARG 23 HA ARG 23 -17.994 -3.605 -11.965 150 1HB ARG 23 HB2 ARG 23 -16.124 -2.145 -11.453 151 2HB ARG 23 HB1 ARG 23 -15.441 -3.346 -10.364 152 1HG ARG 23 HG2 ARG 23 -15.068 -4.860 -12.241 153 2HG ARG 23 HG1 ARG 23 -15.788 -3.686 -13.342 154 1HD ARG 23 HD2 ARG 23 -14.004 -2.100 -12.841 155 2HD ARG 23 HD1 ARG 23 -13.299 -3.239 -11.691 156 HE ARG 23 HE ARG 23 -13.435 -4.623 -14.049 157 1HH1 ARG 23 HH11 ARG 23 -11.980 -1.596 -13.066 158 2HH1 ARG 23 HH12 ARG 23 -10.661 -1.721 -14.186 159 1HH2 ARG 23 HH21 ARG 23 -11.707 -4.796 -15.520 160 2HH2 ARG 23 HH22 ARG 23 -10.503 -3.547 -15.578 161 H SER 24 HN SER 24 -17.656 -5.547 -12.912 162 HA SER 24 HA SER 24 -17.481 -7.884 -11.185 163 1HB SER 24 HB2 SER 24 -17.877 -9.076 -13.422 164 2HB SER 24 HB1 SER 24 -19.182 -8.047 -12.834 165 HG SER 24 HG SER 24 -17.205 -7.225 -14.709 166 H ALA 25 HN ALA 25 -15.714 -9.161 -11.019 167 HA ALA 25 HA ALA 25 -13.176 -8.366 -11.830 168 1HB ALA 25 HB1 ALA 25 -13.581 -9.954 -10.012 169 2HB ALA 25 HB2 ALA 25 -12.436 -10.604 -11.186 170 3HB ALA 25 HB3 ALA 25 -14.109 -11.166 -11.179 171 H ALA 26 HN ALA 26 -15.501 -10.478 -13.398 172 HA ALA 26 HA ALA 26 -15.744 -11.200 -15.525 173 1HB ALA 26 HB1 ALA 26 -14.705 -9.994 -17.335 174 2HB ALA 26 HB2 ALA 26 -13.522 -9.287 -16.234 175 3HB ALA 26 HB3 ALA 26 -15.225 -8.851 -16.097 176 H SER 27 HN SER 27 -13.255 -11.972 -13.663 177 HA SER 27 HA SER 27 -12.415 -14.137 -15.396 178 1HB SER 27 HB2 SER 27 -10.776 -12.386 -15.949 179 2HB SER 27 HB1 SER 27 -10.408 -12.169 -14.240 180 HG SER 27 HG SER 27 -9.205 -13.775 -15.868 181 HA PRO 28 HA PRO 28 -12.896 -16.259 -11.564 182 1HB PRO 28 HB2 PRO 28 -11.136 -18.360 -11.973 183 2HB PRO 28 HB1 PRO 28 -12.781 -18.289 -12.613 184 1HG PRO 28 HG2 PRO 28 -10.190 -17.641 -13.969 185 2HG PRO 28 HG1 PRO 28 -11.606 -18.500 -14.607 186 1HD PRO 28 HD2 PRO 28 -11.127 -15.932 -15.232 187 2HD PRO 28 HD1 PRO 28 -12.782 -16.531 -14.994 188 H GLU 29 HN GLU 29 -9.538 -15.933 -12.697 189 HA GLU 29 HA GLU 29 -8.370 -16.117 -10.118 190 1HB GLU 29 HB2 GLU 29 -6.343 -15.164 -11.221 191 2HB GLU 29 HB1 GLU 29 -7.004 -16.572 -12.043 192 1HG GLU 29 HG2 GLU 29 -7.922 -15.250 -13.777 193 2HG GLU 29 HG1 GLU 29 -7.632 -13.755 -12.889 194 H ALA 30 HN ALA 30 -9.480 -13.432 -12.110 195 HA ALA 30 HA ALA 30 -8.436 -11.331 -10.546 196 1HB ALA 30 HB1 ALA 30 -9.999 -9.891 -11.749 197 2HB ALA 30 HB2 ALA 30 -10.863 -11.309 -12.343 198 3HB ALA 30 HB3 ALA 30 -9.200 -11.013 -12.850 199 H LEU 31 HN LEU 31 -11.228 -13.337 -10.210 200 HA LEU 31 HA LEU 31 -12.547 -11.613 -8.304 201 1HB LEU 31 HB2 LEU 31 -13.761 -13.080 -9.924 202 2HB LEU 31 HB1 LEU 31 -13.149 -14.480 -9.071 203 HG LEU 31 HG LEU 31 -15.567 -13.737 -8.616 204 1HD1 LEU 31 HD11 LEU 31 -15.452 -14.362 -6.252 205 2HD1 LEU 31 HD12 LEU 31 -13.698 -14.173 -6.290 206 3HD1 LEU 31 HD13 LEU 31 -14.475 -15.419 -7.269 207 1HD2 LEU 31 HD21 LEU 31 -15.123 -11.349 -8.356 208 2HD2 LEU 31 HD22 LEU 31 -14.145 -11.678 -6.925 209 3HD2 LEU 31 HD23 LEU 31 -15.874 -12.022 -6.911 210 H MET 32 HN MET 32 -10.821 -14.732 -8.224 211 HA MET 32 HA MET 32 -11.412 -15.282 -5.541 212 1HB MET 32 HB2 MET 32 -9.685 -17.022 -5.658 213 2HB MET 32 HB1 MET 32 -10.762 -17.055 -7.043 214 1HG MET 32 HG2 MET 32 -8.590 -17.462 -7.855 215 2HG MET 32 HG1 MET 32 -9.000 -15.814 -8.324 216 1HE MET 32 HE1 MET 32 -6.036 -17.074 -8.330 217 2HE MET 32 HE2 MET 32 -5.116 -15.711 -7.694 218 3HE MET 32 HE3 MET 32 -6.403 -15.433 -8.866 219 H ARG 33 HN ARG 33 -8.612 -13.544 -6.917 220 HA ARG 33 HA ARG 33 -7.240 -13.574 -4.393 221 1HB ARG 33 HB2 ARG 33 -5.472 -12.495 -5.396 222 2HB ARG 33 HB1 ARG 33 -6.198 -13.304 -6.772 223 1HG ARG 33 HG2 ARG 33 -6.716 -10.417 -6.074 224 2HG ARG 33 HG1 ARG 33 -5.441 -10.948 -7.166 225 1HD ARG 33 HD2 ARG 33 -7.238 -12.078 -8.529 226 2HD ARG 33 HD1 ARG 33 -8.418 -11.242 -7.518 227 HE ARG 33 HE ARG 33 -7.777 -9.200 -8.475 228 1HH1 ARG 33 HH11 ARG 33 -6.002 -11.892 -9.823 229 2HH1 ARG 33 HH12 ARG 33 -5.422 -11.004 -11.191 230 1HH2 ARG 33 HH21 ARG 33 -7.015 -8.013 -10.290 231 2HH2 ARG 33 HH22 ARG 33 -5.994 -8.798 -11.453 232 H SER 34 HN SER 34 -9.548 -11.477 -5.906 233 HA SER 34 HA SER 34 -9.176 -9.280 -4.085 234 1HB SER 34 HB2 SER 34 -11.561 -9.951 -5.841 235 2HB SER 34 HB1 SER 34 -11.214 -8.388 -5.096 236 HG SER 34 HG SER 34 -10.414 -9.244 -7.449 237 H ARG 35 HN ARG 35 -11.333 -12.028 -4.402 238 HA ARG 35 HA ARG 35 -12.945 -11.690 -2.147 239 1HB ARG 35 HB2 ARG 35 -13.455 -13.319 -3.855 240 2HB ARG 35 HB1 ARG 35 -11.935 -14.154 -3.589 241 1HG ARG 35 HG2 ARG 35 -12.711 -14.906 -1.403 242 2HG ARG 35 HG1 ARG 35 -14.228 -14.027 -1.630 243 1HD ARG 35 HD2 ARG 35 -14.789 -15.407 -3.541 244 2HD ARG 35 HD1 ARG 35 -13.229 -16.221 -3.453 245 HE ARG 35 HE ARG 35 -13.958 -17.362 -1.514 246 1HH1 ARG 35 HH11 ARG 35 -16.449 -15.305 -2.853 247 2HH1 ARG 35 HH12 ARG 35 -17.748 -16.218 -2.157 248 1HH2 ARG 35 HH21 ARG 35 -15.692 -18.582 -0.619 249 2HH2 ARG 35 HH22 ARG 35 -17.328 -18.072 -0.903 250 H TYR 36 HN TYR 36 -9.825 -13.301 -2.560 251 HA TYR 36 HA TYR 36 -9.407 -14.297 -0.013 252 1HB TYR 36 HB2 TYR 36 -7.912 -14.881 -1.794 253 2HB TYR 36 HB1 TYR 36 -7.469 -13.199 -2.060 254 HD1 TYR 36 HD1 TYR 36 -7.220 -15.958 0.440 255 HD2 TYR 36 HD2 TYR 36 -5.597 -12.286 -0.986 256 HE1 TYR 36 HE1 TYR 36 -5.290 -16.231 1.937 257 HE2 TYR 36 HE2 TYR 36 -3.665 -12.554 0.503 258 HH TYR 36 HH TYR 36 -3.109 -13.721 2.596 259 H ALA 37 HN ALA 37 -8.641 -11.066 -1.274 260 HA ALA 37 HA ALA 37 -7.362 -10.050 1.002 261 1HB ALA 37 HB1 ALA 37 -8.958 -8.557 -1.082 262 2HB ALA 37 HB2 ALA 37 -7.240 -8.948 -1.165 263 3HB ALA 37 HB3 ALA 37 -7.831 -7.831 0.065 264 H ALA 38 HN ALA 38 -10.782 -10.067 0.081 265 HA ALA 38 HA ALA 38 -11.744 -8.477 2.200 266 1HB ALA 38 HB1 ALA 38 -13.078 -8.984 0.207 267 2HB ALA 38 HB2 ALA 38 -13.935 -9.425 1.684 268 3HB ALA 38 HB3 ALA 38 -13.170 -10.675 0.700 269 H TYR 39 HN TYR 39 -10.877 -11.839 1.972 270 HA TYR 39 HA TYR 39 -12.100 -12.600 4.452 271 1HB TYR 39 HB2 TYR 39 -11.233 -14.002 2.285 272 2HB TYR 39 HB1 TYR 39 -9.877 -14.250 3.376 273 HD1 TYR 39 HD2 TYR 39 -13.329 -13.857 4.603 274 HD2 TYR 39 HD1 TYR 39 -10.256 -16.629 3.592 275 HE1 TYR 39 HE2 TYR 39 -14.585 -15.655 5.720 276 HE2 TYR 39 HE1 TYR 39 -11.509 -18.427 4.699 277 HH TYR 39 HH TYR 39 -13.283 -18.537 6.595 278 H ALA 40 HN ALA 40 -8.909 -11.595 3.379 279 HA ALA 40 HA ALA 40 -7.553 -11.942 5.840 280 1HB ALA 40 HB1 ALA 40 -5.884 -10.402 4.912 281 2HB ALA 40 HB2 ALA 40 -6.999 -9.971 3.613 282 3HB ALA 40 HB3 ALA 40 -6.366 -11.614 3.724 283 H LEU 41 HN LEU 41 -9.538 -9.388 4.489 284 HA LEU 41 HA LEU 41 -9.176 -7.626 6.776 285 1HB LEU 41 HB2 LEU 41 -11.040 -7.414 4.398 286 2HB LEU 41 HB1 LEU 41 -10.764 -6.158 5.591 287 HG LEU 41 HG LEU 41 -8.708 -7.226 3.643 288 1HD1 LEU 41 HD11 LEU 41 -10.141 -4.569 3.729 289 2HD1 LEU 41 HD12 LEU 41 -10.416 -5.861 2.560 290 3HD1 LEU 41 HD13 LEU 41 -8.865 -5.024 2.598 291 1HD2 LEU 41 HD21 LEU 41 -8.493 -5.004 5.680 292 2HD2 LEU 41 HD22 LEU 41 -7.280 -5.406 4.464 293 3HD2 LEU 41 HD23 LEU 41 -7.664 -6.560 5.740 294 H LYS 42 HN LYS 42 -10.480 -10.386 6.783 295 HA LYS 42 HA LYS 42 -12.211 -11.518 7.625 296 1HB LYS 42 HB2 LYS 42 -12.928 -10.853 9.907 297 2HB LYS 42 HB1 LYS 42 -11.193 -10.967 9.687 298 1HG LYS 42 HG2 LYS 42 -12.472 -8.297 9.394 299 2HG LYS 42 HG1 LYS 42 -12.311 -8.982 11.013 300 1HD LYS 42 HD2 LYS 42 -9.920 -9.185 10.744 301 2HD LYS 42 HD1 LYS 42 -10.026 -8.675 9.058 302 1HE LYS 42 HE2 LYS 42 -10.825 -6.494 9.748 303 2HE LYS 42 HE1 LYS 42 -10.788 -6.993 11.439 304 1HZ LYS 42 HZ1 LYS 42 -8.464 -6.673 9.618 305 2HZ LYS 42 HZ2 LYS 42 -8.361 -7.344 11.170 306 3HZ LYS 42 HZ3 LYS 42 -8.837 -5.734 10.976 307 H ASP 43 HN ASP 43 -13.034 -9.335 5.720 308 HA ASP 43 HA ASP 43 -15.783 -8.911 6.585 309 1HB ASP 43 HB2 ASP 43 -14.487 -7.226 5.147 310 2HB ASP 43 HB1 ASP 43 -14.695 -8.356 3.812 311 H PHE 44 HN PHE 44 -15.911 -11.270 6.893 312 HA PHE 44 HA PHE 44 -15.829 -13.083 4.738 313 1HB PHE 44 HB2 PHE 44 -17.081 -14.608 6.288 314 2HB PHE 44 HB1 PHE 44 -15.608 -13.928 6.964 315 HD1 PHE 44 HD1 PHE 44 -19.277 -13.904 7.107 316 HD2 PHE 44 HD2 PHE 44 -15.682 -12.382 8.814 317 HE1 PHE 44 HE1 PHE 44 -20.541 -13.100 9.053 318 HE2 PHE 44 HE2 PHE 44 -16.948 -11.576 10.762 319 HZ PHE 44 HZ PHE 44 -19.380 -11.933 10.885 320 H ASP 45 HN ASP 45 -18.083 -10.701 5.496 321 HA ASP 45 HA ASP 45 -20.446 -11.934 4.518 322 1HB ASP 45 HB2 ASP 45 -20.487 -9.932 5.964 323 2HB ASP 45 HB1 ASP 45 -19.769 -8.985 4.662 324 H TYR 46 HN TYR 46 -18.034 -9.770 2.997 325 HA TYR 46 HA TYR 46 -19.218 -9.734 0.441 326 1HB TYR 46 HB2 TYR 46 -17.415 -8.176 1.032 327 2HB TYR 46 HB1 TYR 46 -16.277 -9.511 1.177 328 HD1 TYR 46 HD1 TYR 46 -18.530 -7.844 -1.292 329 HD2 TYR 46 HD2 TYR 46 -15.001 -10.153 -0.684 330 HE1 TYR 46 HE1 TYR 46 -17.972 -7.618 -3.675 331 HE2 TYR 46 HE2 TYR 46 -14.439 -9.929 -3.066 332 HH TYR 46 HH TYR 46 -16.155 -7.773 -5.161 333 H ILE 47 HN ILE 47 -17.193 -12.039 2.076 334 HA ILE 47 HA ILE 47 -16.443 -13.633 -0.120 335 HB ILE 47 HB ILE 47 -16.901 -14.569 2.724 336 1HG1 ILE 47 HG12 ILE 47 -15.426 -12.621 2.720 337 2HG1 ILE 47 HG11 ILE 47 -14.500 -14.075 3.071 338 1HG2 ILE 47 HG21 ILE 47 -15.255 -16.291 2.192 339 2HG2 ILE 47 HG22 ILE 47 -15.106 -15.661 0.550 340 3HG2 ILE 47 HG23 ILE 47 -16.627 -16.377 1.084 341 1HD1 ILE 47 HD11 ILE 47 -14.624 -12.638 0.433 342 2HD1 ILE 47 HD12 ILE 47 -13.722 -14.120 0.751 343 3HD1 ILE 47 HD13 ILE 47 -13.284 -12.627 1.579 344 H VAL 48 HN VAL 48 -19.110 -14.049 2.230 345 HA VAL 48 HA VAL 48 -20.207 -16.325 0.991 346 HB VAL 48 HB VAL 48 -20.766 -15.629 3.310 347 1HG1 VAL 48 HG11 VAL 48 -22.451 -13.515 1.970 348 2HG1 VAL 48 HG12 VAL 48 -21.050 -13.247 3.008 349 3HG1 VAL 48 HG13 VAL 48 -22.523 -13.944 3.678 350 1HG2 VAL 48 HG21 VAL 48 -22.155 -17.264 2.129 351 2HG2 VAL 48 HG22 VAL 48 -23.173 -15.958 1.520 352 3HG2 VAL 48 HG23 VAL 48 -23.110 -16.293 3.250 353 H GLU 49 HN GLU 49 -20.685 -12.893 0.454 354 HA GLU 49 HA GLU 49 -22.872 -13.031 -1.314 355 1HB GLU 49 HB2 GLU 49 -20.683 -11.022 -0.845 356 2HB GLU 49 HB1 GLU 49 -21.835 -10.792 -2.154 357 1HG GLU 49 HG2 GLU 49 -22.644 -11.193 0.719 358 2HG GLU 49 HG1 GLU 49 -22.382 -9.610 -0.015 359 H THR 50 HN THR 50 -19.387 -13.288 -1.867 360 HA THR 50 HA THR 50 -19.783 -13.470 -4.755 361 HB THR 50 HB THR 50 -17.266 -13.646 -4.813 362 HG1 THR 50 HG1 THR 50 -17.278 -12.787 -2.122 363 1HG2 THR 50 HG21 THR 50 -18.423 -11.240 -3.389 364 2HG2 THR 50 HG22 THR 50 -18.401 -11.498 -5.134 365 3HG2 THR 50 HG23 THR 50 -16.887 -11.283 -4.255 366 H THR 51 HN THR 51 -20.560 -15.585 -2.663 367 HA THR 51 HA THR 51 -19.052 -17.857 -3.750 368 HB THR 51 HB THR 51 -21.069 -17.832 -1.479 369 HG1 THR 51 HG1 THR 51 -19.324 -16.785 -0.687 370 1HG2 THR 51 HG21 THR 51 -19.096 -19.952 -2.371 371 2HG2 THR 51 HG22 THR 51 -20.847 -20.032 -2.566 372 3HG2 THR 51 HG23 THR 51 -20.136 -20.048 -0.950 373 H ASP 52 HN ASP 52 -20.196 -19.650 -4.657 374 HA ASP 52 HA ASP 52 -22.047 -19.112 -6.613 375 1HB ASP 52 HB2 ASP 52 -20.621 -21.227 -6.228 376 2HB ASP 52 HB1 ASP 52 -21.920 -21.772 -5.185 377 HA PRO 53 HA PRO 53 -25.890 -18.322 -4.507 378 1HB PRO 53 HB2 PRO 53 -27.555 -19.465 -6.466 379 2HB PRO 53 HB1 PRO 53 -27.019 -17.785 -6.407 380 1HG PRO 53 HG2 PRO 53 -25.924 -20.071 -7.984 381 2HG PRO 53 HG1 PRO 53 -26.073 -18.361 -8.434 382 1HD PRO 53 HD2 PRO 53 -23.709 -19.411 -7.739 383 2HD PRO 53 HD1 PRO 53 -24.151 -17.759 -7.257 384 H GLU 54 HN GLU 54 -25.147 -21.507 -5.825 385 HA GLU 54 HA GLU 54 -27.156 -22.859 -4.262 386 1HB GLU 54 HB2 GLU 54 -24.767 -24.065 -5.679 387 2HB GLU 54 HB1 GLU 54 -26.223 -24.904 -5.157 388 1HG GLU 54 HG2 GLU 54 -25.943 -22.896 -7.376 389 2HG GLU 54 HG1 GLU 54 -26.370 -24.601 -7.505 390 H ARG 55 HN ARG 55 -23.677 -22.305 -4.061 391 HA ARG 55 HA ARG 55 -23.317 -24.011 -1.771 392 1HB ARG 55 HB2 ARG 55 -21.464 -21.907 -2.925 393 2HB ARG 55 HB1 ARG 55 -21.028 -23.103 -1.715 394 1HG ARG 55 HG2 ARG 55 -21.846 -23.667 -4.559 395 2HG ARG 55 HG1 ARG 55 -20.215 -23.749 -3.896 396 1HD ARG 55 HD2 ARG 55 -21.111 -25.489 -2.278 397 2HD ARG 55 HD1 ARG 55 -22.564 -25.528 -3.278 398 HE ARG 55 HE ARG 55 -20.304 -25.876 -4.913 399 1HH1 ARG 55 HH11 ARG 55 -22.219 -27.617 -2.544 400 2HH1 ARG 55 HH12 ARG 55 -21.688 -29.178 -3.085 401 1HH2 ARG 55 HH21 ARG 55 -19.620 -27.944 -5.623 402 2HH2 ARG 55 HH22 ARG 55 -20.227 -29.361 -4.820 403 H ARG 56 HN ARG 56 -24.164 -20.703 -2.294 404 HA ARG 56 HA ARG 56 -23.227 -19.563 0.092 405 1HB ARG 56 HB2 ARG 56 -24.024 -18.263 -1.874 406 2HB ARG 56 HB1 ARG 56 -25.674 -18.744 -1.499 407 1HG ARG 56 HG2 ARG 56 -25.688 -17.491 0.508 408 2HG ARG 56 HG1 ARG 56 -23.944 -17.262 0.462 409 1HD ARG 56 HD2 ARG 56 -25.087 -15.213 -0.165 410 2HD ARG 56 HD1 ARG 56 -24.180 -15.855 -1.532 411 HE ARG 56 HE ARG 56 -26.594 -16.874 -2.006 412 1HH1 ARG 56 HH11 ARG 56 -25.680 -13.618 -1.056 413 2HH1 ARG 56 HH12 ARG 56 -27.000 -12.876 -1.897 414 1HH2 ARG 56 HH21 ARG 56 -28.307 -15.886 -3.142 415 2HH2 ARG 56 HH22 ARG 56 -28.483 -14.160 -3.095 416 H ASP 57 HN ASP 57 -25.892 -21.634 -0.563 417 HA ASP 57 HA ASP 57 -27.440 -21.217 1.760 418 1HB ASP 57 HB2 ASP 57 -28.338 -22.488 -0.086 419 2HB ASP 57 HB1 ASP 57 -27.026 -23.657 0.012 420 H LEU 58 HN LEU 58 -24.681 -23.310 1.066 421 HA LEU 58 HA LEU 58 -24.627 -24.382 3.775 422 1HB LEU 58 HB2 LEU 58 -22.682 -24.844 1.498 423 2HB LEU 58 HB1 LEU 58 -22.751 -25.740 3.001 424 HG LEU 58 HG LEU 58 -25.113 -26.450 2.266 425 1HD1 LEU 58 HD11 LEU 58 -25.476 -26.492 -0.166 426 2HD1 LEU 58 HD12 LEU 58 -24.053 -25.472 -0.382 427 3HD1 LEU 58 HD13 LEU 58 -25.460 -24.855 0.485 428 1HD2 LEU 58 HD21 LEU 58 -22.708 -27.423 0.722 429 2HD2 LEU 58 HD22 LEU 58 -24.226 -28.296 0.928 430 3HD2 LEU 58 HD23 LEU 58 -23.203 -27.966 2.325 431 H PHE 59 HN PHE 59 -23.372 -21.766 2.058 432 HA PHE 59 HA PHE 59 -20.851 -21.590 3.480 433 1HB PHE 59 HB2 PHE 59 -21.506 -20.895 0.980 434 2HB PHE 59 HB1 PHE 59 -21.886 -19.367 1.760 435 HD1 PHE 59 HD1 PHE 59 -19.209 -21.791 1.045 436 HD2 PHE 59 HD2 PHE 59 -20.153 -17.895 2.481 437 HE1 PHE 59 HE1 PHE 59 -16.837 -21.169 0.909 438 HE2 PHE 59 HE2 PHE 59 -17.780 -17.272 2.352 439 HZ PHE 59 HZ PHE 59 -16.117 -18.909 1.566 440 H ASP 60 HN ASP 60 -21.873 -21.454 5.604 441 HA ASP 60 HA ASP 60 -23.551 -19.261 6.317 442 1HB ASP 60 HB2 ASP 60 -21.898 -21.126 8.040 443 2HB ASP 60 HB1 ASP 60 -23.038 -19.947 8.675 444 H HIS 61 HN HIS 61 -23.074 -17.295 7.147 445 HA HIS 61 HA HIS 61 -20.602 -16.033 6.908 446 1HB HIS 61 HB2 HIS 61 -22.878 -15.485 8.839 447 2HB HIS 61 HB1 HIS 61 -21.491 -14.423 8.659 448 HD1 HIS 61 HD1 HIS 61 -24.665 -15.456 6.974 449 HD2 HIS 61 HD2 HIS 61 -21.504 -12.822 6.361 450 HE1 HIS 61 HE1 HIS 61 -25.419 -13.903 5.149 451 HE2 HIS 61 HE2 HIS 61 -23.595 -12.171 4.983 452 H ASP 62 HN ASP 62 -22.006 -17.872 9.520 453 HA ASP 62 HA ASP 62 -20.196 -17.262 11.577 454 1HB ASP 62 HB2 ASP 62 -21.777 -19.824 11.235 455 2HB ASP 62 HB1 ASP 62 -21.166 -19.152 12.744 456 H VAL 63 HN VAL 63 -20.323 -20.042 9.363 457 HA VAL 63 HA VAL 63 -18.065 -21.390 10.356 458 HB VAL 63 HB VAL 63 -19.143 -21.434 7.520 459 1HG1 VAL 63 HG11 VAL 63 -18.091 -23.645 7.369 460 2HG1 VAL 63 HG12 VAL 63 -17.428 -23.443 8.992 461 3HG1 VAL 63 HG13 VAL 63 -16.896 -22.386 7.684 462 1HG2 VAL 63 HG21 VAL 63 -20.422 -23.404 8.231 463 2HG2 VAL 63 HG22 VAL 63 -20.882 -21.974 9.154 464 3HG2 VAL 63 HG23 VAL 63 -19.835 -23.193 9.882 465 H ASN 64 HN ASN 64 -18.456 -18.905 7.899 466 HA ASN 64 HA ASN 64 -15.848 -18.822 6.899 467 1HB ASN 64 HB2 ASN 64 -17.833 -16.559 7.254 468 2HB ASN 64 HB1 ASN 64 -16.364 -16.458 6.289 469 1HD2 ASN 64 HD21 ASN 64 -19.108 -16.126 5.451 470 2HD2 ASN 64 HD22 ASN 64 -19.404 -17.319 4.241 471 H ARG 65 HN ARG 65 -17.318 -17.110 9.638 472 HA ARG 65 HA ARG 65 -15.066 -15.667 10.460 473 1HB ARG 65 HB2 ARG 65 -17.258 -15.197 11.383 474 2HB ARG 65 HB1 ARG 65 -17.355 -16.805 12.086 475 1HG ARG 65 HG2 ARG 65 -15.416 -16.224 13.533 476 2HG ARG 65 HG1 ARG 65 -15.478 -14.584 12.885 477 1HD ARG 65 HD2 ARG 65 -17.701 -15.978 14.382 478 2HD ARG 65 HD1 ARG 65 -16.616 -14.763 15.053 479 HE ARG 65 HE ARG 65 -18.503 -14.196 12.847 480 1HH1 ARG 65 HH11 ARG 65 -16.940 -13.325 15.849 481 2HH1 ARG 65 HH12 ARG 65 -17.778 -11.813 16.002 482 1HH2 ARG 65 HH21 ARG 65 -19.639 -12.201 13.060 483 2HH2 ARG 65 HH22 ARG 65 -19.295 -11.170 14.417 484 H ALA 66 HN ALA 66 -16.281 -18.795 11.642 485 HA ALA 66 HA ALA 66 -14.300 -19.427 13.442 486 1HB ALA 66 HB1 ALA 66 -15.756 -21.345 11.616 487 2HB ALA 66 HB2 ALA 66 -16.357 -20.727 13.155 488 3HB ALA 66 HB3 ALA 66 -14.932 -21.765 13.119 489 H TRP 67 HN TRP 67 -14.309 -19.928 9.942 490 HA TRP 67 HA TRP 67 -11.880 -21.386 9.843 491 1HB TRP 67 HB2 TRP 67 -13.560 -21.471 8.039 492 2HB TRP 67 HB1 TRP 67 -13.237 -19.782 7.658 493 HD1 TRP 67 HD1 TRP 67 -11.058 -19.239 6.248 494 HE1 TRP 67 HE1 TRP 67 -9.401 -20.707 4.944 495 HE3 TRP 67 HE3 TRP 67 -12.400 -23.816 8.092 496 HZ2 TRP 67 HZ2 TRP 67 -8.745 -23.438 4.720 497 HZ3 TRP 67 HZ3 TRP 67 -11.205 -25.808 7.278 498 HH2 TRP 67 HH2 TRP 67 -9.415 -25.621 5.626 499 H MET 68 HN MET 68 -12.638 -17.934 9.288 500 HA MET 68 HA MET 68 -9.995 -17.225 8.547 501 1HB MET 68 HB2 MET 68 -10.680 -14.948 8.661 502 2HB MET 68 HB1 MET 68 -12.071 -15.853 8.083 503 1HG MET 68 HG2 MET 68 -13.033 -15.796 10.337 504 2HG MET 68 HG1 MET 68 -11.644 -14.869 10.901 505 1HE MET 68 HE1 MET 68 -14.581 -13.863 11.404 506 2HE MET 68 HE2 MET 68 -14.449 -12.163 10.955 507 3HE MET 68 HE3 MET 68 -13.152 -12.938 11.864 508 H GLU 69 HN GLU 69 -11.525 -17.731 11.613 509 HA GLU 69 HA GLU 69 -9.550 -16.355 13.173 510 1HB GLU 69 HB2 GLU 69 -11.471 -18.532 14.044 511 2HB GLU 69 HB1 GLU 69 -10.566 -17.462 15.105 512 1HG GLU 69 HG2 GLU 69 -11.806 -15.538 14.039 513 2HG GLU 69 HG1 GLU 69 -12.814 -16.736 13.246 514 H GLU 70 HN GLU 70 -10.095 -19.723 12.191 515 HA GLU 70 HA GLU 70 -7.842 -20.694 13.715 516 1HB GLU 70 HB2 GLU 70 -8.408 -22.889 12.802 517 2HB GLU 70 HB1 GLU 70 -9.838 -22.089 13.440 518 1HG GLU 70 HG2 GLU 70 -10.544 -21.498 11.193 519 2HG GLU 70 HG1 GLU 70 -9.081 -22.218 10.523 520 H SER 71 HN SER 71 -7.867 -18.924 11.011 521 HA SER 71 HA SER 71 -5.216 -19.792 10.307 522 1HB SER 71 HB2 SER 71 -5.778 -20.030 7.850 523 2HB SER 71 HB1 SER 71 -6.389 -21.323 8.880 524 HG SER 71 HG SER 71 -8.306 -19.603 8.866 525 H ASP 72 HN ASP 72 -4.207 -17.906 10.449 526 HA ASP 72 HA ASP 72 -5.457 -15.422 9.612 527 1HB ASP 72 HB2 ASP 72 -4.045 -15.476 11.641 528 2HB ASP 72 HB1 ASP 72 -2.661 -15.962 10.667 529 H PHE 73 HN PHE 73 -5.597 -15.180 7.461 530 HA PHE 73 HA PHE 73 -3.901 -16.462 5.605 531 1HB PHE 73 HB2 PHE 73 -5.877 -14.199 5.245 532 2HB PHE 73 HB1 PHE 73 -5.083 -15.039 3.914 533 HD1 PHE 73 HD1 PHE 73 -7.557 -15.339 6.613 534 HD2 PHE 73 HD2 PHE 73 -5.690 -17.301 3.322 535 HE1 PHE 73 HE1 PHE 73 -9.272 -17.098 6.689 536 HE2 PHE 73 HE2 PHE 73 -7.411 -19.056 3.390 537 HZ PHE 73 HZ PHE 73 -9.201 -18.957 5.076 538 H LEU 74 HN LEU 74 -1.980 -15.958 4.896 539 HA LEU 74 HA LEU 74 -0.833 -13.343 5.608 540 1HB LEU 74 HB2 LEU 74 0.578 -15.924 4.902 541 2HB LEU 74 HB1 LEU 74 1.329 -14.460 5.508 542 HG LEU 74 HG LEU 74 -0.632 -16.149 7.075 543 1HD1 LEU 74 HD11 LEU 74 1.453 -17.360 6.636 544 2HD1 LEU 74 HD12 LEU 74 1.282 -16.940 8.341 545 3HD1 LEU 74 HD13 LEU 74 2.374 -16.014 7.309 546 1HD2 LEU 74 HD21 LEU 74 1.138 -13.854 7.923 547 2HD2 LEU 74 HD22 LEU 74 0.123 -14.826 8.990 548 3HD2 LEU 74 HD23 LEU 74 -0.618 -13.808 7.755 549 H GLU 75 HN GLU 75 -0.756 -15.788 3.018 550 HA GLU 75 HA GLU 75 -0.233 -13.729 1.019 551 1HB GLU 75 HB2 GLU 75 1.997 -14.247 1.776 552 2HB GLU 75 HB1 GLU 75 1.680 -15.972 1.701 553 1HG GLU 75 HG2 GLU 75 1.509 -15.822 -0.748 554 2HG GLU 75 HG1 GLU 75 1.871 -14.099 -0.654 555 H LEU 76 HN LEU 76 -1.187 -14.216 -0.870 556 HA LEU 76 HA LEU 76 -2.137 -16.963 -1.322 557 1HB LEU 76 HB2 LEU 76 -3.902 -15.325 -1.423 558 2HB LEU 76 HB1 LEU 76 -2.983 -14.316 -2.520 559 HG LEU 76 HG LEU 76 -3.625 -17.067 -3.478 560 1HD1 LEU 76 HD11 LEU 76 -5.874 -16.438 -4.175 561 2HD1 LEU 76 HD12 LEU 76 -5.721 -14.896 -3.331 562 3HD1 LEU 76 HD13 LEU 76 -5.733 -16.405 -2.418 563 1HD2 LEU 76 HD21 LEU 76 -3.950 -15.858 -5.597 564 2HD2 LEU 76 HD22 LEU 76 -2.374 -15.520 -4.883 565 3HD2 LEU 76 HD23 LEU 76 -3.669 -14.329 -4.759 566 H ARG 77 HN ARG 77 -1.566 -18.068 -3.204 567 HA ARG 77 HA ARG 77 0.568 -16.881 -4.825 568 1HB ARG 77 HB2 ARG 77 1.615 -18.096 -2.949 569 2HB ARG 77 HB1 ARG 77 0.734 -19.550 -3.398 570 1HG ARG 77 HG2 ARG 77 1.961 -19.758 -5.434 571 2HG ARG 77 HG1 ARG 77 2.705 -18.171 -5.214 572 1HD ARG 77 HD2 ARG 77 3.117 -20.600 -3.462 573 2HD ARG 77 HD1 ARG 77 4.269 -19.950 -4.629 574 HE ARG 77 HE ARG 77 3.371 -18.327 -2.336 575 1HH1 ARG 77 HH11 ARG 77 5.938 -19.847 -4.162 576 2HH1 ARG 77 HH12 ARG 77 7.209 -19.074 -3.270 577 1HH2 ARG 77 HH21 ARG 77 5.030 -17.307 -1.147 578 2HH2 ARG 77 HH22 ARG 77 6.691 -17.631 -1.546 579 H VAL 78 HN VAL 78 -0.368 -16.923 -6.755 580 HA VAL 78 HA VAL 78 -2.313 -18.867 -7.546 581 HB VAL 78 HB VAL 78 -0.870 -16.785 -9.191 582 1HG1 VAL 78 HG11 VAL 78 -1.887 -18.495 -10.603 583 2HG1 VAL 78 HG12 VAL 78 -2.774 -16.978 -10.746 584 3HG1 VAL 78 HG13 VAL 78 -3.428 -18.292 -9.769 585 1HG2 VAL 78 HG21 VAL 78 -3.510 -16.623 -7.743 586 2HG2 VAL 78 HG22 VAL 78 -2.882 -15.401 -8.849 587 3HG2 VAL 78 HG23 VAL 78 -2.032 -15.747 -7.343 588 H LEU 79 HN LEU 79 -2.067 -20.652 -8.815 589 HA LEU 79 HA LEU 79 0.661 -21.293 -9.749 590 1HB LEU 79 HB2 LEU 79 -1.602 -23.186 -9.077 591 2HB LEU 79 HB1 LEU 79 0.011 -23.651 -9.590 592 HG LEU 79 HG LEU 79 -0.712 -22.274 -6.995 593 1HD1 LEU 79 HD11 LEU 79 0.308 -25.057 -7.556 594 2HD1 LEU 79 HD12 LEU 79 -1.323 -24.628 -7.039 595 3HD1 LEU 79 HD13 LEU 79 0.044 -24.356 -5.959 596 1HD2 LEU 79 HD21 LEU 79 1.453 -21.485 -7.792 597 2HD2 LEU 79 HD22 LEU 79 1.993 -23.148 -8.022 598 3HD2 LEU 79 HD23 LEU 79 1.652 -22.547 -6.399 599 H GLY 80 HN GLY 80 -2.776 -21.813 -10.552 600 1HA GLY 80 HA2 GLY 80 -2.209 -21.290 -13.364 601 2HA GLY 80 HA1 GLY 80 -2.783 -22.910 -12.983 602 H SER 81 HN SER 81 -4.180 -21.151 -14.665 603 HA SER 81 HA SER 81 -6.743 -21.098 -13.388 604 1HB SER 81 HB2 SER 81 -7.077 -18.608 -13.732 605 2HB SER 81 HB1 SER 81 -5.972 -19.036 -12.426 606 HG SER 81 HG SER 81 -5.491 -17.495 -14.518 607 H SER 82 HN SER 82 -8.409 -21.019 -14.863 608 HA SER 82 HA SER 82 -7.911 -20.234 -17.617 609 1HB SER 82 HB2 SER 82 -8.836 -23.043 -16.926 610 2HB SER 82 HB1 SER 82 -8.641 -22.380 -18.549 611 HG SER 82 HG SER 82 -6.348 -21.965 -17.445 612 H GLU 83 HN GLU 83 -9.677 -19.255 -18.438 613 HA GLU 83 HA GLU 83 -12.236 -19.522 -17.027 614 1HB GLU 83 HB2 GLU 83 -11.498 -17.234 -17.470 615 2HB GLU 83 HB1 GLU 83 -11.348 -17.586 -19.187 616 1HG GLU 83 HG2 GLU 83 -13.786 -17.998 -19.286 617 2HG GLU 83 HG1 GLU 83 -13.905 -17.555 -17.585 618 H LYS 84 HN LYS 84 -13.568 -21.040 -17.732 619 HA LYS 84 HA LYS 84 -13.478 -21.880 -20.548 620 1HB LYS 84 HB2 LYS 84 -14.869 -23.292 -18.257 621 2HB LYS 84 HB1 LYS 84 -14.500 -23.941 -19.848 622 1HG LYS 84 HG2 LYS 84 -12.484 -23.218 -17.724 623 2HG LYS 84 HG1 LYS 84 -13.017 -24.847 -18.135 624 1HD LYS 84 HD2 LYS 84 -11.703 -23.002 -20.130 625 2HD LYS 84 HD1 LYS 84 -10.786 -24.097 -19.100 626 1HE LYS 84 HE2 LYS 84 -11.079 -25.170 -21.211 627 2HE LYS 84 HE1 LYS 84 -12.127 -25.989 -20.056 628 1HZ LYS 84 HZ1 LYS 84 -13.052 -23.885 -21.933 629 2HZ LYS 84 HZ2 LYS 84 -14.014 -24.865 -20.946 630 3HZ LYS 84 HZ3 LYS 84 -13.165 -25.542 -22.240 631 H GLY 85 HN GLY 85 -14.610 -19.586 -20.569 632 1HA GLY 85 HA2 GLY 85 -16.503 -18.480 -21.247 633 2HA GLY 85 HA1 GLY 85 -17.312 -20.037 -21.331 634 H SER 86 HN SER 86 -18.674 -20.642 -19.713 635 HA SER 86 HA SER 86 -19.357 -18.600 -17.743 636 1HB SER 86 HB2 SER 86 -20.758 -21.208 -18.413 637 2HB SER 86 HB1 SER 86 -21.394 -19.919 -17.390 638 HG SER 86 HG SER 86 -21.954 -20.074 -19.797 639 H ARG 87 HN ARG 87 -17.634 -21.531 -17.939 640 HA ARG 87 HA ARG 87 -17.718 -21.907 -15.015 641 1HB ARG 87 HB2 ARG 87 -17.823 -23.768 -17.130 642 2HB ARG 87 HB1 ARG 87 -16.196 -23.918 -16.488 643 1HG ARG 87 HG2 ARG 87 -18.768 -24.220 -14.940 644 2HG ARG 87 HG1 ARG 87 -17.679 -25.515 -15.433 645 1HD ARG 87 HD2 ARG 87 -15.906 -24.514 -14.025 646 2HD ARG 87 HD1 ARG 87 -17.052 -23.283 -13.492 647 HE ARG 87 HE ARG 87 -17.218 -26.164 -12.885 648 1HH1 ARG 87 HH11 ARG 87 -18.109 -22.848 -12.170 649 2HH1 ARG 87 HH12 ARG 87 -18.937 -23.256 -10.698 650 1HH2 ARG 87 HH21 ARG 87 -18.291 -26.697 -10.951 651 2HH2 ARG 87 HH22 ARG 87 -19.046 -25.446 -10.012 652 H GLY 88 HN GLY 88 -15.747 -21.920 -13.848 653 1HA GLY 88 HA2 GLY 88 -13.308 -21.254 -15.354 654 2HA GLY 88 HA1 GLY 88 -13.827 -20.186 -14.055 655 H THR 89 HN THR 89 -11.383 -21.760 -14.312 656 HA THR 89 HA THR 89 -11.559 -23.104 -11.712 657 HB THR 89 HB THR 89 -10.126 -24.326 -14.092 658 HG1 THR 89 HG1 THR 89 -12.193 -25.768 -13.028 659 1HG2 THR 89 HG21 THR 89 -10.669 -25.391 -11.309 660 2HG2 THR 89 HG22 THR 89 -9.103 -24.870 -11.931 661 3HG2 THR 89 HG23 THR 89 -9.896 -26.287 -12.618 662 H VAL 90 HN VAL 90 -9.976 -22.428 -10.406 663 HA VAL 90 HA VAL 90 -7.400 -21.638 -11.562 664 HB VAL 90 HB VAL 90 -8.496 -19.516 -11.274 665 1HG1 VAL 90 HG11 VAL 90 -10.260 -20.184 -9.725 666 2HG1 VAL 90 HG12 VAL 90 -9.417 -18.748 -9.145 667 3HG1 VAL 90 HG13 VAL 90 -9.079 -20.321 -8.421 668 1HG2 VAL 90 HG21 VAL 90 -7.009 -18.407 -9.668 669 2HG2 VAL 90 HG22 VAL 90 -6.135 -19.589 -10.641 670 3HG2 VAL 90 HG23 VAL 90 -6.579 -19.973 -8.978 671 H GLU 91 HN GLU 91 -5.782 -22.580 -10.552 672 HA GLU 91 HA GLU 91 -6.257 -23.791 -7.910 673 1HB GLU 91 HB2 GLU 91 -5.688 -25.305 -9.851 674 2HB GLU 91 HB1 GLU 91 -4.119 -24.515 -9.934 675 1HG GLU 91 HG2 GLU 91 -3.599 -25.271 -7.679 676 2HG GLU 91 HG1 GLU 91 -5.190 -26.021 -7.552 677 H PHE 92 HN PHE 92 -4.993 -23.202 -6.214 678 HA PHE 92 HA PHE 92 -2.575 -21.668 -6.614 679 1HB PHE 92 HB2 PHE 92 -3.379 -19.688 -5.366 680 2HB PHE 92 HB1 PHE 92 -4.239 -19.911 -6.883 681 HD1 PHE 92 HD2 PHE 92 -6.568 -20.831 -6.852 682 HD2 PHE 92 HD1 PHE 92 -4.526 -19.686 -3.290 683 HE1 PHE 92 HE2 PHE 92 -8.715 -20.734 -5.655 684 HE2 PHE 92 HE1 PHE 92 -6.672 -19.587 -2.091 685 HZ PHE 92 HZ PHE 92 -8.769 -20.110 -3.272 686 H ILE 93 HN ILE 93 -1.981 -20.715 -4.292 687 HA ILE 93 HA ILE 93 -2.473 -22.808 -2.279 688 HB ILE 93 HB ILE 93 0.149 -21.427 -2.925 689 1HG1 ILE 93 HG12 ILE 93 -0.574 -24.371 -2.866 690 2HG1 ILE 93 HG11 ILE 93 -0.463 -23.402 -4.328 691 1HG2 ILE 93 HG21 ILE 93 -0.497 -23.249 -0.597 692 2HG2 ILE 93 HG22 ILE 93 -0.120 -21.528 -0.503 693 3HG2 ILE 93 HG23 ILE 93 1.113 -22.671 -1.032 694 1HD1 ILE 93 HD11 ILE 93 1.789 -24.017 -2.427 695 2HD1 ILE 93 HD12 ILE 93 1.914 -23.017 -3.876 696 3HD1 ILE 93 HD13 ILE 93 1.530 -24.733 -4.018 697 H ALA 94 HN ALA 94 -3.553 -21.940 -0.656 698 HA ALA 94 HA ALA 94 -3.274 -19.133 0.046 699 1HB ALA 94 HB1 ALA 94 -5.046 -19.600 1.685 700 2HB ALA 94 HB2 ALA 94 -4.973 -21.315 1.277 701 3HB ALA 94 HB3 ALA 94 -5.503 -20.144 0.070 702 H ARG 95 HN ARG 95 -1.519 -18.619 1.161 703 HA ARG 95 HA ARG 95 -0.381 -20.469 3.125 704 1HB ARG 95 HB2 ARG 95 1.157 -19.428 1.522 705 2HB ARG 95 HB1 ARG 95 0.625 -17.830 2.022 706 1HG ARG 95 HG2 ARG 95 1.496 -18.402 4.334 707 2HG ARG 95 HG1 ARG 95 2.246 -19.820 3.597 708 1HD ARG 95 HD2 ARG 95 3.479 -18.370 2.056 709 2HD ARG 95 HD1 ARG 95 2.716 -16.954 2.775 710 HE ARG 95 HE ARG 95 3.955 -18.260 4.856 711 1HH1 ARG 95 HH11 ARG 95 4.935 -16.809 1.814 712 2HH1 ARG 95 HH12 ARG 95 6.512 -16.365 2.393 713 1HH2 ARG 95 HH21 ARG 95 6.017 -17.680 5.619 714 2HH2 ARG 95 HH22 ARG 95 7.139 -16.885 4.554 715 H PHE 96 HN PHE 96 -1.141 -20.317 5.132 716 HA PHE 96 HA PHE 96 -1.653 -17.664 6.276 717 1HB PHE 96 HB2 PHE 96 -3.700 -18.717 7.431 718 2HB PHE 96 HB1 PHE 96 -3.861 -18.273 5.737 719 HD1 PHE 96 HD1 PHE 96 -2.553 -21.298 7.541 720 HD2 PHE 96 HD2 PHE 96 -5.212 -19.732 4.603 721 HE1 PHE 96 HE1 PHE 96 -3.309 -23.574 7.014 722 HE2 PHE 96 HE2 PHE 96 -5.975 -22.009 4.081 723 HZ PHE 96 HZ PHE 96 -5.026 -23.933 5.288 724 H ARG 97 HN ARG 97 -1.720 -17.690 8.646 725 HA ARG 97 HA ARG 97 0.089 -19.688 9.752 726 1HB ARG 97 HB2 ARG 97 0.416 -17.269 10.264 727 2HB ARG 97 HB1 ARG 97 -1.146 -17.254 11.074 728 1HG ARG 97 HG2 ARG 97 -0.329 -18.866 12.715 729 2HG ARG 97 HG1 ARG 97 1.228 -18.932 11.886 730 1HD ARG 97 HD2 ARG 97 1.571 -16.549 12.349 731 2HD ARG 97 HD1 ARG 97 0.015 -16.486 13.178 732 HE ARG 97 HE ARG 97 1.407 -18.461 14.464 733 1HH1 ARG 97 HH11 ARG 97 2.027 -15.098 13.735 734 2HH1 ARG 97 HH12 ARG 97 2.930 -14.814 15.188 735 1HH2 ARG 97 HH21 ARG 97 2.599 -18.094 16.388 736 2HH2 ARG 97 HH22 ARG 97 3.255 -16.515 16.694 737 H ARG 98 HN ARG 98 -0.644 -21.427 10.802 738 HA ARG 98 HA ARG 98 -3.455 -21.897 10.919 739 1HB ARG 98 HB2 ARG 98 -1.774 -23.670 10.431 740 2HB ARG 98 HB1 ARG 98 -1.199 -23.551 12.088 741 1HG ARG 98 HG2 ARG 98 -2.686 -25.464 11.790 742 2HG ARG 98 HG1 ARG 98 -3.371 -24.290 12.917 743 1HD ARG 98 HD2 ARG 98 -4.793 -23.402 11.126 744 2HD ARG 98 HD1 ARG 98 -4.104 -24.569 9.997 745 HE ARG 98 HE ARG 98 -5.049 -26.190 11.889 746 1HH1 ARG 98 HH11 ARG 98 -6.556 -23.410 10.379 747 2HH1 ARG 98 HH12 ARG 98 -8.157 -24.069 10.485 748 1HH2 ARG 98 HH21 ARG 98 -7.154 -27.044 12.029 749 2HH2 ARG 98 HH22 ARG 98 -8.501 -26.114 11.440 750 H GLY 99 HN GLY 99 -4.837 -21.678 12.572 751 1HA GLY 99 HA2 GLY 99 -4.190 -20.259 14.917 752 2HA GLY 99 HA1 GLY 99 -5.684 -21.142 14.632 753 H GLY 100 HN GLY 100 -2.347 -21.474 15.668 754 1HA GLY 100 HA2 GLY 100 -2.822 -23.169 17.820 755 2HA GLY 100 HA1 GLY 100 -2.483 -24.194 16.429 756 H GLY 101 HN GLY 101 -0.656 -22.212 15.214 757 1HA GLY 101 HA2 GLY 101 1.335 -21.365 16.978 758 2HA GLY 101 HA1 GLY 101 1.757 -22.988 16.463 759 HA PRO 102 HA PRO 102 3.878 -21.061 13.171 760 1HB PRO 102 HB2 PRO 102 4.493 -23.189 11.674 761 2HB PRO 102 HB1 PRO 102 5.097 -23.038 13.331 762 1HG PRO 102 HG2 PRO 102 2.740 -24.609 12.320 763 2HG PRO 102 HG1 PRO 102 4.032 -25.128 13.423 764 1HD PRO 102 HD2 PRO 102 1.582 -24.275 14.276 765 2HD PRO 102 HD1 PRO 102 3.064 -24.090 15.236 766 H GLU 103 HN GLU 103 4.092 -21.305 10.653 767 HA GLU 103 HA GLU 103 1.604 -20.572 9.449 768 1HB GLU 103 HB2 GLU 103 4.322 -21.118 8.216 769 2HB GLU 103 HB1 GLU 103 2.943 -20.466 7.341 770 1HG GLU 103 HG2 GLU 103 2.963 -18.491 8.803 771 2HG GLU 103 HG1 GLU 103 4.365 -19.143 9.649 772 H GLN 104 HN GLN 104 0.740 -21.627 7.531 773 HA GLN 104 HA GLN 104 1.401 -24.428 7.120 774 1HB GLN 104 HB2 GLN 104 -0.387 -24.311 8.913 775 2HB GLN 104 HB1 GLN 104 -1.443 -23.576 7.717 776 1HG GLN 104 HG2 GLN 104 -1.282 -25.589 6.333 777 2HG GLN 104 HG1 GLN 104 -0.218 -26.325 7.532 778 1HE2 GLN 104 HE21 GLN 104 -3.473 -25.447 6.746 779 2HE2 GLN 104 HE22 GLN 104 -4.233 -26.262 8.066 780 H SER 105 HN SER 105 0.970 -25.070 5.036 781 HA SER 105 HA SER 105 0.027 -22.927 3.249 782 1HB SER 105 HB2 SER 105 1.444 -24.057 1.509 783 2HB SER 105 HB1 SER 105 2.366 -23.426 2.875 784 HG SER 105 HG SER 105 1.543 -26.125 2.499 785 H HIS 106 HN HIS 106 -1.954 -23.278 2.575 786 HA HIS 106 HA HIS 106 -2.879 -26.028 2.103 787 1HB HIS 106 HB2 HIS 106 -4.352 -24.924 3.585 788 2HB HIS 106 HB1 HIS 106 -4.303 -23.429 2.661 789 HD1 HIS 106 HD1 HIS 106 -5.454 -27.018 1.980 790 HD2 HIS 106 HD2 HIS 106 -6.564 -23.072 1.301 791 HE1 HIS 106 HE1 HIS 106 -7.633 -27.131 0.724 792 HE2 HIS 106 HE2 HIS 106 -8.149 -24.730 0.136 793 H HIS 107 HN HIS 107 -3.408 -26.696 0.110 794 HA HIS 107 HA HIS 107 -3.189 -24.775 -2.121 795 1HB HIS 107 HB2 HIS 107 -1.113 -26.010 -1.970 796 2HB HIS 107 HB1 HIS 107 -1.967 -27.532 -1.826 797 HD1 HIS 107 HD1 HIS 107 -0.115 -27.936 -3.834 798 HD2 HIS 107 HD2 HIS 107 -3.524 -25.741 -4.758 799 HE1 HIS 107 HE1 HIS 107 -0.312 -28.017 -6.336 800 HE2 HIS 107 HE2 HIS 107 -2.407 -26.734 -6.870 801 H GLU 108 HN GLU 108 -5.104 -24.689 -3.131 802 HA GLU 108 HA GLU 108 -6.593 -27.212 -3.497 803 1HB GLU 108 HB2 GLU 108 -8.697 -26.076 -3.159 804 2HB GLU 108 HB1 GLU 108 -7.678 -25.825 -1.751 805 1HG GLU 108 HG2 GLU 108 -7.766 -23.772 -3.933 806 2HG GLU 108 HG1 GLU 108 -9.047 -23.847 -2.726 807 H ARG 109 HN ARG 109 -8.307 -26.967 -5.175 808 HA ARG 109 HA ARG 109 -7.552 -25.162 -7.374 809 1HB ARG 109 HB2 ARG 109 -6.787 -27.411 -7.932 810 2HB ARG 109 HB1 ARG 109 -8.359 -28.083 -7.531 811 1HG ARG 109 HG2 ARG 109 -9.368 -27.051 -9.433 812 2HG ARG 109 HG1 ARG 109 -7.908 -26.116 -9.768 813 1HD ARG 109 HD2 ARG 109 -8.186 -28.092 -11.252 814 2HD ARG 109 HD1 ARG 109 -6.686 -28.109 -10.328 815 HE ARG 109 HE ARG 109 -9.067 -29.702 -9.588 816 1HH1 ARG 109 HH11 ARG 109 -5.592 -29.334 -9.863 817 2HH1 ARG 109 HH12 ARG 109 -5.257 -30.971 -9.394 818 1HH2 ARG 109 HH21 ARG 109 -8.618 -31.843 -8.899 819 2HH2 ARG 109 HH22 ARG 109 -6.970 -32.389 -8.817 820 H SER 110 HN SER 110 -9.165 -23.710 -7.303 821 HA SER 110 HA SER 110 -11.802 -24.578 -6.385 822 1HB SER 110 HB2 SER 110 -10.636 -21.794 -6.642 823 2HB SER 110 HB1 SER 110 -12.199 -22.195 -5.928 824 HG SER 110 HG SER 110 -9.702 -22.350 -4.848 825 H GLN 111 HN GLN 111 -13.469 -24.731 -7.681 826 HA GLN 111 HA GLN 111 -13.401 -23.643 -10.385 827 1HB GLN 111 HB2 GLN 111 -15.449 -25.383 -8.979 828 2HB GLN 111 HB1 GLN 111 -15.561 -24.865 -10.654 829 1HG GLN 111 HG2 GLN 111 -14.769 -27.104 -10.632 830 2HG GLN 111 HG1 GLN 111 -13.429 -26.066 -11.109 831 1HE2 GLN 111 HE21 GLN 111 -11.916 -27.621 -10.512 832 2HE2 GLN 111 HE22 GLN 111 -11.560 -27.978 -8.858 833 H PHE 112 HN PHE 112 -14.843 -22.115 -11.137 834 HA PHE 112 HA PHE 112 -16.526 -20.729 -9.153 835 1HB PHE 112 HB2 PHE 112 -14.565 -19.509 -11.114 836 2HB PHE 112 HB1 PHE 112 -15.858 -18.578 -10.365 837 HD1 PHE 112 HD1 PHE 112 -12.865 -20.647 -9.580 838 HD2 PHE 112 HD2 PHE 112 -15.570 -17.637 -8.247 839 HE1 PHE 112 HE1 PHE 112 -11.433 -20.223 -7.627 840 HE2 PHE 112 HE2 PHE 112 -14.139 -17.215 -6.293 841 HZ PHE 112 HZ PHE 112 -12.069 -18.507 -5.982 842 H ARG 113 HN ARG 113 -18.287 -19.538 -10.074 843 HA ARG 113 HA ARG 113 -19.101 -20.428 -12.768 844 1HB ARG 113 HB2 ARG 113 -20.503 -21.495 -11.122 845 2HB ARG 113 HB1 ARG 113 -20.770 -19.973 -10.283 846 1HG ARG 113 HG2 ARG 113 -22.161 -19.149 -12.012 847 2HG ARG 113 HG1 ARG 113 -21.671 -20.433 -13.118 848 1HD ARG 113 HD2 ARG 113 -22.766 -22.089 -11.681 849 2HD ARG 113 HD1 ARG 113 -23.247 -20.811 -10.568 850 HE ARG 113 HE ARG 113 -25.049 -20.476 -11.899 851 1HH1 ARG 113 HH11 ARG 113 -22.486 -21.725 -13.955 852 2HH1 ARG 113 HH12 ARG 113 -23.494 -21.774 -15.366 853 1HH2 ARG 113 HH21 ARG 113 -26.354 -20.577 -13.744 854 2HH2 ARG 113 HH22 ARG 113 -25.684 -21.124 -15.251 855 H LYS 114 HN LYS 114 -19.861 -18.889 -14.169 856 HA LYS 114 HA LYS 114 -19.495 -16.102 -13.296 857 1HB LYS 114 HB2 LYS 114 -18.172 -17.141 -15.242 858 2HB LYS 114 HB1 LYS 114 -19.673 -17.029 -16.155 859 1HG LYS 114 HG2 LYS 114 -19.729 -14.627 -15.828 860 2HG LYS 114 HG1 LYS 114 -18.281 -14.711 -14.821 861 1HD LYS 114 HD2 LYS 114 -17.109 -15.727 -16.829 862 2HD LYS 114 HD1 LYS 114 -18.525 -15.262 -17.774 863 1HE LYS 114 HE2 LYS 114 -18.187 -12.927 -17.100 864 2HE LYS 114 HE1 LYS 114 -16.759 -13.400 -16.183 865 1HZ LYS 114 HZ1 LYS 114 -17.097 -13.724 -19.119 866 2HZ LYS 114 HZ2 LYS 114 -15.718 -14.149 -18.232 867 3HZ LYS 114 HZ3 LYS 114 -16.172 -12.524 -18.370 868 H ALA 115 HN ALA 115 -21.246 -14.981 -12.895 869 HA ALA 115 HA ALA 115 -23.603 -15.270 -14.625 870 1HB ALA 115 HB1 ALA 115 -24.080 -16.473 -12.542 871 2HB ALA 115 HB2 ALA 115 -25.084 -15.031 -12.686 872 3HB ALA 115 HB3 ALA 115 -23.686 -15.027 -11.610 873 H ARG 116 HN ARG 116 -24.225 -13.374 -15.441 874 HA ARG 116 HA ARG 116 -24.470 -11.147 -15.819 875 1HB ARG 116 HB2 ARG 116 -23.974 -10.943 -12.837 876 2HB ARG 116 HB1 ARG 116 -24.499 -9.606 -13.850 877 1HG ARG 116 HG2 ARG 116 -26.044 -12.161 -13.423 878 2HG ARG 116 HG1 ARG 116 -26.339 -10.639 -12.580 879 1HD ARG 116 HD2 ARG 116 -26.765 -9.561 -14.776 880 2HD ARG 116 HD1 ARG 116 -26.587 -11.138 -15.549 881 HE ARG 116 HE ARG 116 -28.494 -11.521 -13.629 882 1HH1 ARG 116 HH11 ARG 116 -28.150 -9.348 -16.351 883 2HH1 ARG 116 HH12 ARG 116 -29.856 -9.222 -16.630 884 1HH2 ARG 116 HH21 ARG 116 -30.733 -11.343 -13.970 885 2HH2 ARG 116 HH22 ARG 116 -31.332 -10.343 -15.259 886 H GLY 117 HN GLY 117 -21.740 -12.552 -15.626 887 1HA GLY 117 HA2 GLY 117 -19.657 -11.783 -16.388 888 2HA GLY 117 HA1 GLY 117 -20.114 -10.142 -15.952 889 H ARG 118 HN ARG 118 -21.030 -11.636 -13.308 890 HA ARG 118 HA ARG 118 -18.474 -11.183 -11.959 891 1HB ARG 118 HB2 ARG 118 -21.270 -11.555 -10.840 892 2HB ARG 118 HB1 ARG 118 -19.833 -11.346 -9.852 893 1HG ARG 118 HG2 ARG 118 -20.773 -9.227 -9.897 894 2HG ARG 118 HG1 ARG 118 -19.511 -9.137 -11.124 895 1HD ARG 118 HD2 ARG 118 -21.292 -9.652 -12.837 896 2HD ARG 118 HD1 ARG 118 -22.484 -9.447 -11.552 897 HE ARG 118 HE ARG 118 -21.036 -7.384 -12.939 898 1HH1 ARG 118 HH11 ARG 118 -22.777 -8.158 -9.988 899 2HH1 ARG 118 HH12 ARG 118 -23.104 -6.500 -9.603 900 1HH2 ARG 118 HH21 ARG 118 -21.474 -5.207 -12.422 901 2HH2 ARG 118 HH22 ARG 118 -22.370 -4.824 -10.988 902 H TRP 119 HN TRP 119 -17.375 -12.749 -10.882 903 HA TRP 119 HA TRP 119 -18.199 -15.502 -11.391 904 1HB TRP 119 HB2 TRP 119 -15.585 -14.248 -10.551 905 2HB TRP 119 HB1 TRP 119 -15.841 -15.992 -10.522 906 HD1 TRP 119 HD1 TRP 119 -15.346 -13.085 -12.959 907 HE1 TRP 119 HE1 TRP 119 -14.912 -14.064 -15.304 908 HE3 TRP 119 HE3 TRP 119 -16.381 -17.976 -11.991 909 HZ2 TRP 119 HZ2 TRP 119 -15.018 -16.575 -16.572 910 HZ3 TRP 119 HZ3 TRP 119 -16.205 -19.611 -13.823 911 HH2 TRP 119 HH2 TRP 119 -15.536 -18.922 -16.069 912 H TYR 120 HN TYR 120 -18.599 -16.981 -9.836 913 HA TYR 120 HA TYR 120 -18.538 -16.110 -7.024 914 1HB TYR 120 HB2 TYR 120 -20.782 -17.592 -8.433 915 2HB TYR 120 HB1 TYR 120 -20.695 -17.329 -6.693 916 HD1 TYR 120 HD1 TYR 120 -21.045 -15.091 -5.749 917 HD2 TYR 120 HD2 TYR 120 -21.374 -15.771 -9.943 918 HE1 TYR 120 HE1 TYR 120 -22.164 -12.919 -6.010 919 HE2 TYR 120 HE2 TYR 120 -22.494 -13.598 -10.210 920 HH TYR 120 HH TYR 120 -23.796 -12.008 -8.838 921 H PHE 121 HN PHE 121 -17.719 -17.565 -5.637 922 HA PHE 121 HA PHE 121 -16.205 -19.738 -6.592 923 1HB PHE 121 HB2 PHE 121 -15.458 -18.662 -4.632 924 2HB PHE 121 HB1 PHE 121 -17.012 -18.844 -3.827 925 HD1 PHE 121 HD1 PHE 121 -13.997 -20.668 -4.965 926 HD2 PHE 121 HD2 PHE 121 -17.512 -20.781 -2.559 927 HE1 PHE 121 HE1 PHE 121 -13.203 -22.732 -3.896 928 HE2 PHE 121 HE2 PHE 121 -16.725 -22.845 -1.490 929 HZ PHE 121 HZ PHE 121 -14.560 -23.824 -2.152 930 H SER 122 HN SER 122 -16.869 -21.676 -7.220 931 HA SER 122 HA SER 122 -19.529 -22.609 -6.470 932 1HB SER 122 HB2 SER 122 -17.570 -23.692 -8.511 933 2HB SER 122 HB1 SER 122 -19.231 -24.240 -8.287 934 HG SER 122 HG SER 122 -19.766 -21.914 -8.684 935 H GLU 123 HN GLU 123 -16.162 -23.745 -6.395 936 HA GLU 123 HA GLU 123 -16.480 -25.205 -4.008 937 1HB GLU 123 HB2 GLU 123 -16.129 -27.518 -5.059 938 2HB GLU 123 HB1 GLU 123 -17.747 -26.838 -5.154 939 1HG GLU 123 HG2 GLU 123 -17.140 -26.040 -7.478 940 2HG GLU 123 HG1 GLU 123 -15.696 -27.043 -7.345 941 H GLY 124 HN GLY 124 -14.499 -26.636 -3.614 942 1HA GLY 124 HA2 GLY 124 -12.164 -25.914 -5.199 943 2HA GLY 124 HA1 GLY 124 -12.221 -25.236 -3.577 944 H GLU 125 HN GLU 125 -11.188 -27.804 -5.405 945 HA GLU 125 HA GLU 125 -11.335 -29.785 -3.262 946 1HB GLU 125 HB2 GLU 125 -10.384 -31.326 -4.945 947 2HB GLU 125 HB1 GLU 125 -11.849 -30.539 -5.518 948 1HG GLU 125 HG2 GLU 125 -10.401 -28.908 -6.743 949 2HG GLU 125 HG1 GLU 125 -9.009 -29.889 -6.286 950 H ALA 126 HN ALA 126 -9.681 -30.216 -1.917 951 HA ALA 126 HA ALA 126 -7.346 -28.586 -1.931 952 1HB ALA 126 HB1 ALA 126 -8.350 -29.393 0.145 953 2HB ALA 126 HB2 ALA 126 -6.662 -29.888 0.020 954 3HB ALA 126 HB3 ALA 126 -7.949 -31.053 -0.298 955 H VAL 127 HN VAL 127 -5.857 -28.841 -3.457 956 HA VAL 127 HA VAL 127 -5.193 -31.459 -4.537 957 HB VAL 127 HB VAL 127 -4.018 -28.740 -5.196 958 1HG1 VAL 127 HG11 VAL 127 -3.215 -29.822 -7.253 959 2HG1 VAL 127 HG12 VAL 127 -3.829 -31.372 -6.673 960 3HG1 VAL 127 HG13 VAL 127 -2.520 -30.562 -5.811 961 1HG2 VAL 127 HG21 VAL 127 -5.464 -28.788 -7.173 962 2HG2 VAL 127 HG22 VAL 127 -6.408 -28.815 -5.684 963 3HG2 VAL 127 HG23 VAL 127 -6.185 -30.298 -6.613 964 H ASP 128 HN ASP 128 -3.622 -32.688 -3.693 965 HA ASP 128 HA ASP 128 -1.360 -31.413 -2.332 966 1HB ASP 128 HB2 ASP 128 -3.140 -32.004 -0.642 967 2HB ASP 128 HB1 ASP 128 -2.923 -33.693 -1.090 Start of MODEL 9 1 1H MET 1 HT1 MET 1 0.813 0.115 -0.035 2 2H MET 1 HT2 MET 1 -0.576 0.829 -0.672 3 3H MET 1 HT3 MET 1 0.717 1.798 -0.175 4 HA MET 1 HA MET 1 0.669 1.649 -2.562 5 1HB MET 1 HB2 MET 1 2.945 0.087 -1.308 6 2HB MET 1 HB1 MET 1 2.974 0.784 -2.922 7 1HG MET 1 HG2 MET 1 2.752 3.021 -1.966 8 2HG MET 1 HG1 MET 1 2.718 2.324 -0.346 9 1HE MET 1 HE1 MET 1 4.712 3.940 0.388 10 2HE MET 1 HE2 MET 1 4.728 4.633 -1.234 11 3HE MET 1 HE3 MET 1 6.230 4.072 -0.501 12 H ASN 2 HN ASN 2 1.097 -1.549 -1.053 13 HA ASN 2 HA ASN 2 0.318 -2.804 -3.602 14 1HB ASN 2 HB2 ASN 2 1.368 -4.858 -2.714 15 2HB ASN 2 HB1 ASN 2 2.504 -3.518 -2.774 16 1HD2 ASN 2 HD21 ASN 2 3.844 -4.452 -1.242 17 2HD2 ASN 2 HD22 ASN 2 3.422 -4.550 0.433 18 H CYS 3 HN CYS 3 -0.531 -5.248 -2.792 19 HA CYS 3 HA CYS 3 -2.747 -4.727 -0.915 20 1HB CYS 3 HB2 CYS 3 -3.526 -4.822 -3.310 21 2HB CYS 3 HB1 CYS 3 -2.936 -6.481 -3.383 22 H VAL 4 HN VAL 4 -3.296 -6.428 0.442 23 HA VAL 4 HA VAL 4 -1.283 -8.413 0.931 24 HB VAL 4 HB VAL 4 -2.763 -9.180 2.743 25 1HG1 VAL 4 HG11 VAL 4 -2.521 -6.170 2.594 26 2HG1 VAL 4 HG12 VAL 4 -1.283 -7.290 3.163 27 3HG1 VAL 4 HG13 VAL 4 -2.787 -7.108 4.065 28 1HG2 VAL 4 HG21 VAL 4 -4.921 -8.922 1.647 29 2HG2 VAL 4 HG22 VAL 4 -4.737 -7.168 1.640 30 3HG2 VAL 4 HG23 VAL 4 -4.909 -8.031 3.170 31 H CYS 5 HN CYS 5 -2.306 -8.702 -1.683 32 HA CYS 5 HA CYS 5 -3.012 -11.432 -1.737 33 1HB CYS 5 HB2 CYS 5 -5.260 -11.458 -2.010 34 2HB CYS 5 HB1 CYS 5 -5.223 -9.863 -1.272 35 H GLY 6 HN GLY 6 -1.518 -11.818 -3.272 36 1HA GLY 6 HA2 GLY 6 -0.569 -11.943 -5.352 37 2HA GLY 6 HA1 GLY 6 -2.212 -11.739 -5.927 38 H SER 7 HN SER 7 -2.898 -9.741 -6.649 39 HA SER 7 HA SER 7 -1.131 -8.251 -8.136 40 1HB SER 7 HB2 SER 7 -3.779 -7.270 -7.038 41 2HB SER 7 HB1 SER 7 -2.971 -6.723 -8.509 42 HG SER 7 HG SER 7 -3.234 -8.854 -9.339 43 H GLY 8 HN GLY 8 0.273 -6.684 -7.725 44 1HA GLY 8 HA2 GLY 8 0.670 -5.731 -5.037 45 2HA GLY 8 HA1 GLY 8 1.628 -5.321 -6.450 46 H LYS 9 HN LYS 9 -1.619 -4.800 -7.102 47 HA LYS 9 HA LYS 9 -1.401 -1.947 -6.928 48 1HB LYS 9 HB2 LYS 9 -3.895 -3.612 -7.378 49 2HB LYS 9 HB1 LYS 9 -3.699 -1.902 -7.734 50 1HG LYS 9 HG2 LYS 9 -1.908 -2.551 -9.359 51 2HG LYS 9 HG1 LYS 9 -2.377 -4.230 -9.105 52 1HD LYS 9 HD2 LYS 9 -4.207 -2.036 -10.107 53 2HD LYS 9 HD1 LYS 9 -3.412 -3.236 -11.125 54 1HE LYS 9 HE2 LYS 9 -4.616 -5.023 -9.953 55 2HE LYS 9 HE1 LYS 9 -5.405 -3.823 -8.930 56 1HZ LYS 9 HZ1 LYS 9 -5.684 -4.037 -11.879 57 2HZ LYS 9 HZ2 LYS 9 -6.442 -2.883 -10.904 58 3HZ LYS 9 HZ3 LYS 9 -6.836 -4.518 -10.740 59 H THR 10 HN THR 10 -2.945 -0.605 -5.668 60 HA THR 10 HA THR 10 -2.760 -1.216 -2.924 61 HB THR 10 HB THR 10 -4.169 0.784 -2.554 62 HG1 THR 10 HG1 THR 10 -4.493 1.821 -4.895 63 1HG2 THR 10 HG21 THR 10 -2.066 1.139 -4.696 64 2HG2 THR 10 HG22 THR 10 -1.788 1.114 -2.955 65 3HG2 THR 10 HG23 THR 10 -2.715 2.427 -3.681 66 H TYR 11 HN TYR 11 -4.859 -0.787 -1.539 67 HA TYR 11 HA TYR 11 -6.562 -2.953 -1.574 68 1HB TYR 11 HB2 TYR 11 -6.389 -1.600 0.394 69 2HB TYR 11 HB1 TYR 11 -6.901 -0.157 -0.471 70 HD1 TYR 11 HD2 TYR 11 -8.126 -3.499 0.653 71 HD2 TYR 11 HD1 TYR 11 -9.155 0.484 -0.447 72 HE1 TYR 11 HE2 TYR 11 -10.441 -3.897 1.378 73 HE2 TYR 11 HE1 TYR 11 -11.472 0.092 0.274 74 HH TYR 11 HH TYR 11 -13.005 -1.863 0.591 75 H ASP 12 HN ASP 12 -7.333 0.356 -2.658 76 HA ASP 12 HA ASP 12 -9.828 -0.454 -3.777 77 1HB ASP 12 HB2 ASP 12 -9.954 1.883 -4.620 78 2HB ASP 12 HB1 ASP 12 -9.635 1.775 -2.893 79 H ASP 13 HN ASP 13 -6.670 0.441 -5.206 80 HA ASP 13 HA ASP 13 -7.452 0.263 -7.889 81 1HB ASP 13 HB2 ASP 13 -4.796 -0.108 -6.527 82 2HB ASP 13 HB1 ASP 13 -4.954 -0.435 -8.248 83 H CYS 14 HN CYS 14 -6.544 -2.258 -5.617 84 HA CYS 14 HA CYS 14 -6.847 -4.278 -7.725 85 1HB CYS 14 HB2 CYS 14 -4.907 -4.710 -6.457 86 2HB CYS 14 HB1 CYS 14 -5.719 -4.407 -4.933 87 H CYS 15 HN CYS 15 -7.798 -4.396 -4.287 88 HA CYS 15 HA CYS 15 -9.926 -6.203 -4.949 89 1HB CYS 15 HB2 CYS 15 -8.835 -5.069 -2.398 90 2HB CYS 15 HB1 CYS 15 -10.374 -5.924 -2.395 91 H GLY 16 HN GLY 16 -9.761 -2.797 -4.706 92 1HA GLY 16 HA2 GLY 16 -12.026 -2.088 -3.305 93 2HA GLY 16 HA1 GLY 16 -11.331 -1.137 -4.600 94 HA PRO 17 HA PRO 17 -14.719 -1.865 -7.316 95 1HB PRO 17 HB2 PRO 17 -13.905 -3.440 -9.431 96 2HB PRO 17 HB1 PRO 17 -13.554 -1.716 -9.277 97 1HG PRO 17 HG2 PRO 17 -11.816 -4.066 -8.642 98 2HG PRO 17 HG1 PRO 17 -11.387 -2.531 -9.417 99 1HD PRO 17 HD2 PRO 17 -10.827 -3.028 -6.827 100 2HD PRO 17 HD1 PRO 17 -11.256 -1.403 -7.399 101 H LEU 18 HN LEU 18 -13.041 -4.829 -6.500 102 HA LEU 18 HA LEU 18 -15.244 -6.568 -7.093 103 1HB LEU 18 HB2 LEU 18 -12.696 -6.994 -5.521 104 2HB LEU 18 HB1 LEU 18 -13.886 -8.252 -5.780 105 HG LEU 18 HG LEU 18 -12.176 -8.637 -7.363 106 1HD1 LEU 18 HD11 LEU 18 -14.412 -7.203 -8.786 107 2HD1 LEU 18 HD12 LEU 18 -14.411 -8.890 -8.270 108 3HD1 LEU 18 HD13 LEU 18 -13.285 -8.349 -9.513 109 1HD2 LEU 18 HD21 LEU 18 -11.341 -6.951 -8.925 110 2HD2 LEU 18 HD22 LEU 18 -11.050 -6.479 -7.250 111 3HD2 LEU 18 HD23 LEU 18 -12.363 -5.732 -8.162 112 H LEU 19 HN LEU 19 -13.772 -5.342 -4.104 113 HA LEU 19 HA LEU 19 -15.600 -6.503 -2.312 114 1HB LEU 19 HB2 LEU 19 -13.635 -4.247 -2.156 115 2HB LEU 19 HB1 LEU 19 -14.766 -4.482 -0.834 116 HG LEU 19 HG LEU 19 -12.933 -6.679 -1.811 117 1HD1 LEU 19 HD11 LEU 19 -11.558 -4.797 -1.072 118 2HD1 LEU 19 HD12 LEU 19 -11.467 -6.137 0.070 119 3HD1 LEU 19 HD13 LEU 19 -12.457 -4.725 0.445 120 1HD2 LEU 19 HD21 LEU 19 -14.455 -6.290 0.769 121 2HD2 LEU 19 HD22 LEU 19 -13.401 -7.651 0.381 122 3HD2 LEU 19 HD23 LEU 19 -14.886 -7.399 -0.533 123 H ALA 20 HN ALA 20 -15.662 -3.503 -4.122 124 HA ALA 20 HA ALA 20 -17.979 -2.444 -2.794 125 1HB ALA 20 HB1 ALA 20 -16.353 -0.976 -3.902 126 2HB ALA 20 HB2 ALA 20 -17.972 -0.759 -4.564 127 3HB ALA 20 HB3 ALA 20 -16.771 -1.687 -5.461 128 H ARG 21 HN ARG 21 -17.523 -4.968 -4.927 129 HA ARG 21 HA ARG 21 -18.866 -6.280 -6.196 130 1HB ARG 21 HB2 ARG 21 -20.970 -4.898 -4.515 131 2HB ARG 21 HB1 ARG 21 -21.345 -6.206 -5.628 132 1HG ARG 21 HG2 ARG 21 -19.341 -6.494 -3.398 133 2HG ARG 21 HG1 ARG 21 -21.059 -6.843 -3.198 134 1HD ARG 21 HD2 ARG 21 -19.271 -8.149 -5.257 135 2HD ARG 21 HD1 ARG 21 -19.679 -8.856 -3.692 136 HE ARG 21 HE ARG 21 -22.107 -8.401 -4.697 137 1HH1 ARG 21 HH11 ARG 21 -19.302 -9.882 -6.175 138 2HH1 ARG 21 HH12 ARG 21 -20.233 -10.899 -7.219 139 1HH2 ARG 21 HH21 ARG 21 -23.337 -9.739 -6.076 140 2HH2 ARG 21 HH22 ARG 21 -22.529 -10.819 -7.169 141 H THR 22 HN THR 22 -18.200 -3.462 -7.022 142 HA THR 22 HA THR 22 -20.501 -2.710 -8.659 143 HB THR 22 HB THR 22 -19.342 -0.974 -7.294 144 HG1 THR 22 HG1 THR 22 -18.955 -0.349 -10.035 145 1HG2 THR 22 HG21 THR 22 -17.164 -0.118 -8.022 146 2HG2 THR 22 HG22 THR 22 -17.052 -1.401 -9.227 147 3HG2 THR 22 HG23 THR 22 -17.040 -1.801 -7.508 148 H ARG 23 HN ARG 23 -17.668 -4.522 -8.965 149 HA ARG 23 HA ARG 23 -17.914 -4.477 -11.877 150 1HB ARG 23 HB2 ARG 23 -16.131 -2.880 -11.480 151 2HB ARG 23 HB1 ARG 23 -15.309 -4.007 -10.406 152 1HG ARG 23 HG2 ARG 23 -14.953 -5.535 -12.305 153 2HG ARG 23 HG1 ARG 23 -15.735 -4.369 -13.373 154 1HD ARG 23 HD2 ARG 23 -13.987 -2.751 -12.950 155 2HD ARG 23 HD1 ARG 23 -13.246 -3.818 -11.753 156 HE ARG 23 HE ARG 23 -13.355 -5.285 -14.076 157 1HH1 ARG 23 HH11 ARG 23 -11.916 -2.235 -13.145 158 2HH1 ARG 23 HH12 ARG 23 -10.560 -2.411 -14.213 159 1HH2 ARG 23 HH21 ARG 23 -11.597 -5.508 -15.485 160 2HH2 ARG 23 HH22 ARG 23 -10.394 -4.257 -15.568 161 H SER 24 HN SER 24 -17.450 -6.373 -12.861 162 HA SER 24 HA SER 24 -17.080 -8.728 -11.222 163 1HB SER 24 HB2 SER 24 -17.355 -9.894 -13.459 164 2HB SER 24 HB1 SER 24 -18.718 -8.883 -12.977 165 HG SER 24 HG SER 24 -17.551 -8.745 -15.235 166 H ALA 25 HN ALA 25 -15.259 -9.957 -11.115 167 HA ALA 25 HA ALA 25 -12.751 -8.859 -11.735 168 1HB ALA 25 HB1 ALA 25 -13.120 -10.472 -9.926 169 2HB ALA 25 HB2 ALA 25 -11.833 -10.995 -11.012 170 3HB ALA 25 HB3 ALA 25 -13.430 -11.735 -11.118 171 H ALA 26 HN ALA 26 -14.878 -10.892 -13.570 172 HA ALA 26 HA ALA 26 -14.882 -11.591 -15.723 173 1HB ALA 26 HB1 ALA 26 -13.496 -10.437 -17.360 174 2HB ALA 26 HB2 ALA 26 -12.519 -9.742 -16.066 175 3HB ALA 26 HB3 ALA 26 -14.215 -9.289 -16.230 176 H SER 27 HN SER 27 -12.722 -12.564 -13.577 177 HA SER 27 HA SER 27 -11.793 -14.759 -15.174 178 1HB SER 27 HB2 SER 27 -9.791 -12.739 -14.112 179 2HB SER 27 HB1 SER 27 -9.358 -14.353 -14.674 180 HG SER 27 HG SER 27 -10.798 -13.349 -16.593 181 HA PRO 28 HA PRO 28 -12.306 -16.807 -11.311 182 1HB PRO 28 HB2 PRO 28 -10.374 -18.786 -11.564 183 2HB PRO 28 HB1 PRO 28 -11.990 -18.853 -12.273 184 1HG PRO 28 HG2 PRO 28 -9.397 -18.051 -13.539 185 2HG PRO 28 HG1 PRO 28 -10.714 -19.036 -14.207 186 1HD PRO 28 HD2 PRO 28 -10.415 -16.470 -14.909 187 2HD PRO 28 HD1 PRO 28 -12.031 -17.172 -14.683 188 H GLU 29 HN GLU 29 -8.833 -16.491 -12.162 189 HA GLU 29 HA GLU 29 -7.869 -16.580 -9.525 190 1HB GLU 29 HB2 GLU 29 -5.796 -15.577 -10.423 191 2HB GLU 29 HB1 GLU 29 -6.373 -16.907 -11.419 192 1HG GLU 29 HG2 GLU 29 -7.108 -15.463 -13.123 193 2HG GLU 29 HG1 GLU 29 -7.015 -14.046 -12.079 194 H ALA 30 HN ALA 30 -8.803 -13.866 -11.575 195 HA ALA 30 HA ALA 30 -7.958 -11.776 -9.917 196 1HB ALA 30 HB1 ALA 30 -10.237 -11.797 -11.901 197 2HB ALA 30 HB2 ALA 30 -8.546 -11.464 -12.273 198 3HB ALA 30 HB3 ALA 30 -9.454 -10.361 -11.238 199 H LEU 31 HN LEU 31 -10.913 -13.662 -9.984 200 HA LEU 31 HA LEU 31 -12.302 -12.069 -8.053 201 1HB LEU 31 HB2 LEU 31 -13.378 -13.564 -9.769 202 2HB LEU 31 HB1 LEU 31 -12.806 -14.946 -8.862 203 HG LEU 31 HG LEU 31 -15.231 -14.339 -8.532 204 1HD1 LEU 31 HD11 LEU 31 -13.533 -14.365 -6.058 205 2HD1 LEU 31 HD12 LEU 31 -14.093 -15.774 -6.960 206 3HD1 LEU 31 HD13 LEU 31 -15.257 -14.731 -6.144 207 1HD2 LEU 31 HD21 LEU 31 -14.975 -11.911 -8.516 208 2HD2 LEU 31 HD22 LEU 31 -14.088 -12.014 -6.994 209 3HD2 LEU 31 HD23 LEU 31 -15.786 -12.489 -7.061 210 H MET 32 HN MET 32 -10.564 -15.169 -7.959 211 HA MET 32 HA MET 32 -11.165 -15.784 -5.297 212 1HB MET 32 HB2 MET 32 -10.335 -17.445 -6.917 213 2HB MET 32 HB1 MET 32 -8.752 -16.673 -6.891 214 1HG MET 32 HG2 MET 32 -8.902 -18.705 -5.476 215 2HG MET 32 HG1 MET 32 -8.432 -17.255 -4.586 216 1HE MET 32 HE1 MET 32 -9.400 -19.775 -2.977 217 2HE MET 32 HE2 MET 32 -10.522 -19.031 -1.840 218 3HE MET 32 HE3 MET 32 -9.006 -18.222 -2.239 219 H ARG 33 HN ARG 33 -8.246 -14.229 -6.659 220 HA ARG 33 HA ARG 33 -6.941 -14.133 -4.150 221 1HB ARG 33 HB2 ARG 33 -5.155 -13.431 -5.300 222 2HB ARG 33 HB1 ARG 33 -6.119 -13.722 -6.732 223 1HG ARG 33 HG2 ARG 33 -6.107 -11.039 -5.388 224 2HG ARG 33 HG1 ARG 33 -4.836 -11.508 -6.510 225 1HD ARG 33 HD2 ARG 33 -6.840 -12.079 -8.096 226 2HD ARG 33 HD1 ARG 33 -7.738 -10.992 -7.032 227 HE ARG 33 HE ARG 33 -5.209 -10.017 -8.127 228 1HH1 ARG 33 HH11 ARG 33 -8.714 -9.930 -8.263 229 2HH1 ARG 33 HH12 ARG 33 -8.758 -8.527 -9.282 230 1HH2 ARG 33 HH21 ARG 33 -5.277 -8.167 -9.440 231 2HH2 ARG 33 HH22 ARG 33 -6.808 -7.515 -9.933 232 H SER 34 HN SER 34 -9.269 -12.065 -5.668 233 HA SER 34 HA SER 34 -8.918 -9.842 -3.904 234 1HB SER 34 HB2 SER 34 -11.329 -10.662 -5.554 235 2HB SER 34 HB1 SER 34 -11.106 -9.095 -4.773 236 HG SER 34 HG SER 34 -10.345 -9.758 -7.164 237 H ARG 35 HN ARG 35 -10.950 -12.736 -3.946 238 HA ARG 35 HA ARG 35 -12.501 -12.157 -1.674 239 1HB ARG 35 HB2 ARG 35 -11.689 -14.770 -2.952 240 2HB ARG 35 HB1 ARG 35 -12.702 -14.716 -1.517 241 1HG ARG 35 HG2 ARG 35 -14.217 -13.169 -2.940 242 2HG ARG 35 HG1 ARG 35 -13.315 -13.829 -4.308 243 1HD ARG 35 HD2 ARG 35 -15.045 -15.293 -2.323 244 2HD ARG 35 HD1 ARG 35 -15.221 -15.212 -4.075 245 HE ARG 35 HE ARG 35 -13.034 -16.510 -4.104 246 1HH1 ARG 35 HH11 ARG 35 -15.414 -16.813 -1.561 247 2HH1 ARG 35 HH12 ARG 35 -14.886 -18.390 -1.068 248 1HH2 ARG 35 HH21 ARG 35 -12.351 -18.609 -3.482 249 2HH2 ARG 35 HH22 ARG 35 -13.154 -19.421 -2.173 250 H TYR 36 HN TYR 36 -9.382 -13.825 -2.010 251 HA TYR 36 HA TYR 36 -8.978 -14.652 0.597 252 1HB TYR 36 HB2 TYR 36 -7.391 -15.283 -1.092 253 2HB TYR 36 HB1 TYR 36 -6.988 -13.602 -1.428 254 HD1 TYR 36 HD1 TYR 36 -6.549 -16.376 0.973 255 HD2 TYR 36 HD2 TYR 36 -5.429 -12.389 -0.035 256 HE1 TYR 36 HE1 TYR 36 -4.711 -16.480 2.604 257 HE2 TYR 36 HE2 TYR 36 -3.594 -12.484 1.595 258 HH TYR 36 HH TYR 36 -2.958 -13.706 3.581 259 H ALA 37 HN ALA 37 -8.439 -11.460 -0.811 260 HA ALA 37 HA ALA 37 -7.156 -10.263 1.378 261 1HB ALA 37 HB1 ALA 37 -7.183 -9.248 -0.838 262 2HB ALA 37 HB2 ALA 37 -7.814 -8.126 0.369 263 3HB ALA 37 HB3 ALA 37 -8.922 -8.979 -0.708 264 H ALA 38 HN ALA 38 -10.576 -10.655 0.588 265 HA ALA 38 HA ALA 38 -11.616 -8.998 2.620 266 1HB ALA 38 HB1 ALA 38 -13.741 -10.115 2.202 267 2HB ALA 38 HB2 ALA 38 -12.912 -11.381 1.298 268 3HB ALA 38 HB3 ALA 38 -12.931 -9.730 0.684 269 H TYR 39 HN TYR 39 -10.755 -12.440 2.560 270 HA TYR 39 HA TYR 39 -11.675 -13.134 5.119 271 1HB TYR 39 HB2 TYR 39 -9.559 -14.216 3.300 272 2HB TYR 39 HB1 TYR 39 -9.544 -14.742 4.980 273 HD1 TYR 39 HD2 TYR 39 -11.724 -14.547 1.970 274 HD2 TYR 39 HD1 TYR 39 -10.989 -16.455 5.702 275 HE1 TYR 39 HE2 TYR 39 -13.466 -16.199 1.466 276 HE2 TYR 39 HE1 TYR 39 -12.723 -18.126 5.197 277 HH TYR 39 HH TYR 39 -14.782 -18.282 3.741 278 H ALA 40 HN ALA 40 -8.532 -11.856 4.065 279 HA ALA 40 HA ALA 40 -7.370 -11.727 6.652 280 1HB ALA 40 HB1 ALA 40 -5.650 -10.344 5.601 281 2HB ALA 40 HB2 ALA 40 -6.660 -10.162 4.166 282 3HB ALA 40 HB3 ALA 40 -6.027 -11.749 4.602 283 H LEU 41 HN LEU 41 -9.490 -9.642 4.880 284 HA LEU 41 HA LEU 41 -9.185 -7.452 6.805 285 1HB LEU 41 HB2 LEU 41 -10.808 -7.639 4.255 286 2HB LEU 41 HB1 LEU 41 -10.679 -6.209 5.264 287 HG LEU 41 HG LEU 41 -8.392 -7.508 3.766 288 1HD1 LEU 41 HD11 LEU 41 -9.894 -4.951 3.212 289 2HD1 LEU 41 HD12 LEU 41 -9.957 -6.431 2.254 290 3HD1 LEU 41 HD13 LEU 41 -8.457 -5.510 2.353 291 1HD2 LEU 41 HD21 LEU 41 -7.631 -6.451 5.824 292 2HD2 LEU 41 HD22 LEU 41 -8.471 -4.962 5.390 293 3HD2 LEU 41 HD23 LEU 41 -7.109 -5.524 4.418 294 H LYS 42 HN LYS 42 -10.510 -10.175 7.166 295 HA LYS 42 HA LYS 42 -12.232 -11.133 8.218 296 1HB LYS 42 HB2 LYS 42 -13.126 -9.960 10.202 297 2HB LYS 42 HB1 LYS 42 -11.379 -9.949 10.104 298 1HG LYS 42 HG2 LYS 42 -11.963 -7.829 10.891 299 2HG LYS 42 HG1 LYS 42 -11.582 -7.583 9.191 300 1HD LYS 42 HD2 LYS 42 -13.571 -6.323 9.831 301 2HD LYS 42 HD1 LYS 42 -13.980 -7.573 8.656 302 1HE LYS 42 HE2 LYS 42 -15.640 -7.419 10.469 303 2HE LYS 42 HE1 LYS 42 -14.847 -8.993 10.430 304 1HZ LYS 42 HZ1 LYS 42 -14.039 -6.784 12.236 305 2HZ LYS 42 HZ2 LYS 42 -13.498 -8.386 12.278 306 3HZ LYS 42 HZ3 LYS 42 -15.097 -8.023 12.680 307 H ASP 43 HN ASP 43 -12.927 -9.312 5.810 308 HA ASP 43 HA ASP 43 -15.775 -8.920 6.369 309 1HB ASP 43 HB2 ASP 43 -14.405 -7.133 5.183 310 2HB ASP 43 HB1 ASP 43 -14.314 -8.227 3.807 311 H PHE 44 HN PHE 44 -15.928 -11.307 6.568 312 HA PHE 44 HA PHE 44 -15.720 -12.901 4.206 313 1HB PHE 44 HB2 PHE 44 -16.944 -14.628 5.514 314 2HB PHE 44 HB1 PHE 44 -15.518 -14.010 6.331 315 HD1 PHE 44 HD1 PHE 44 -19.201 -14.042 6.317 316 HD2 PHE 44 HD2 PHE 44 -15.691 -12.824 8.405 317 HE1 PHE 44 HE1 PHE 44 -20.553 -13.586 8.320 318 HE2 PHE 44 HE2 PHE 44 -17.042 -12.366 10.409 319 HZ PHE 44 HZ PHE 44 -19.473 -12.746 10.368 320 H ASP 45 HN ASP 45 -17.901 -10.603 5.248 321 HA ASP 45 HA ASP 45 -20.367 -11.380 4.247 322 1HB ASP 45 HB2 ASP 45 -19.952 -9.289 5.502 323 2HB ASP 45 HB1 ASP 45 -19.077 -8.634 4.124 324 H TYR 46 HN TYR 46 -17.780 -9.612 2.557 325 HA TYR 46 HA TYR 46 -18.906 -9.558 0.012 326 1HB TYR 46 HB2 TYR 46 -17.019 -8.189 0.337 327 2HB TYR 46 HB1 TYR 46 -16.054 -9.506 0.992 328 HD1 TYR 46 HD1 TYR 46 -17.686 -8.384 -2.178 329 HD2 TYR 46 HD2 TYR 46 -14.536 -10.617 -0.383 330 HE1 TYR 46 HE1 TYR 46 -16.694 -8.769 -4.392 331 HE2 TYR 46 HE2 TYR 46 -13.540 -11.004 -2.593 332 HH TYR 46 HH TYR 46 -14.658 -9.367 -5.422 333 H ILE 47 HN ILE 47 -17.024 -12.056 1.606 334 HA ILE 47 HA ILE 47 -16.458 -13.699 -0.587 335 HB ILE 47 HB ILE 47 -17.025 -14.570 2.258 336 1HG1 ILE 47 HG12 ILE 47 -15.311 -12.855 2.230 337 2HG1 ILE 47 HG11 ILE 47 -14.551 -14.415 2.529 338 1HG2 ILE 47 HG21 ILE 47 -15.474 -15.945 0.054 339 2HG2 ILE 47 HG22 ILE 47 -17.035 -16.448 0.701 340 3HG2 ILE 47 HG23 ILE 47 -15.598 -16.505 1.723 341 1HD1 ILE 47 HD11 ILE 47 -14.592 -12.894 -0.064 342 2HD1 ILE 47 HD12 ILE 47 -13.928 -14.516 0.143 343 3HD1 ILE 47 HD13 ILE 47 -13.212 -13.156 1.004 344 H VAL 48 HN VAL 48 -19.116 -13.882 1.738 345 HA VAL 48 HA VAL 48 -20.566 -15.949 0.553 346 HB VAL 48 HB VAL 48 -21.721 -13.575 2.045 347 1HG1 VAL 48 HG11 VAL 48 -23.516 -15.139 2.667 348 2HG1 VAL 48 HG12 VAL 48 -22.782 -16.375 1.642 349 3HG1 VAL 48 HG13 VAL 48 -23.425 -14.898 0.922 350 1HG2 VAL 48 HG21 VAL 48 -20.682 -16.199 3.136 351 2HG2 VAL 48 HG22 VAL 48 -21.483 -14.936 4.071 352 3HG2 VAL 48 HG23 VAL 48 -19.916 -14.621 3.327 353 H GLU 49 HN GLU 49 -20.567 -12.479 -0.094 354 HA GLU 49 HA GLU 49 -22.733 -12.477 -1.926 355 1HB GLU 49 HB2 GLU 49 -20.436 -10.537 -1.582 356 2HB GLU 49 HB1 GLU 49 -21.823 -10.251 -2.625 357 1HG GLU 49 HG2 GLU 49 -21.874 -10.592 0.369 358 2HG GLU 49 HG1 GLU 49 -22.092 -9.087 -0.524 359 H THR 50 HN THR 50 -19.346 -13.238 -2.264 360 HA THR 50 HA THR 50 -19.638 -13.336 -5.189 361 HB THR 50 HB THR 50 -17.085 -13.823 -5.055 362 HG1 THR 50 HG1 THR 50 -17.423 -12.478 -2.570 363 1HG2 THR 50 HG21 THR 50 -18.186 -11.099 -4.346 364 2HG2 THR 50 HG22 THR 50 -18.060 -11.773 -5.972 365 3HG2 THR 50 HG23 THR 50 -16.600 -11.424 -5.047 366 H THR 51 HN THR 51 -20.645 -15.292 -3.099 367 HA THR 51 HA THR 51 -19.372 -17.714 -4.165 368 HB THR 51 HB THR 51 -21.484 -17.471 -1.999 369 HG1 THR 51 HG1 THR 51 -19.214 -16.648 -1.632 370 1HG2 THR 51 HG21 THR 51 -21.466 -19.651 -3.199 371 2HG2 THR 51 HG22 THR 51 -20.970 -19.802 -1.512 372 3HG2 THR 51 HG23 THR 51 -19.759 -19.830 -2.793 373 H ASP 52 HN ASP 52 -20.647 -19.322 -5.158 374 HA ASP 52 HA ASP 52 -22.472 -18.638 -7.081 375 1HB ASP 52 HB2 ASP 52 -21.314 -20.821 -6.915 376 2HB ASP 52 HB1 ASP 52 -22.320 -21.232 -5.541 377 HA PRO 53 HA PRO 53 -26.187 -17.467 -4.956 378 1HB PRO 53 HB2 PRO 53 -28.021 -18.393 -6.838 379 2HB PRO 53 HB1 PRO 53 -27.192 -16.835 -6.907 380 1HG PRO 53 HG2 PRO 53 -26.500 -19.412 -8.275 381 2HG PRO 53 HG1 PRO 53 -26.468 -17.758 -8.920 382 1HD PRO 53 HD2 PRO 53 -24.215 -18.970 -8.181 383 2HD PRO 53 HD1 PRO 53 -24.463 -17.249 -7.820 384 H GLU 54 HN GLU 54 -25.729 -20.748 -6.103 385 HA GLU 54 HA GLU 54 -27.872 -21.766 -4.389 386 1HB GLU 54 HB2 GLU 54 -26.022 -23.288 -6.243 387 2HB GLU 54 HB1 GLU 54 -27.487 -23.900 -5.484 388 1HG GLU 54 HG2 GLU 54 -28.851 -22.404 -6.795 389 2HG GLU 54 HG1 GLU 54 -27.417 -21.635 -7.474 390 H ARG 55 HN ARG 55 -24.354 -22.130 -4.849 391 HA ARG 55 HA ARG 55 -23.943 -23.882 -2.658 392 1HB ARG 55 HB2 ARG 55 -21.930 -21.939 -3.826 393 2HB ARG 55 HB1 ARG 55 -21.574 -23.380 -2.882 394 1HG ARG 55 HG2 ARG 55 -22.815 -23.317 -5.627 395 2HG ARG 55 HG1 ARG 55 -21.151 -23.747 -5.249 396 1HD ARG 55 HD2 ARG 55 -21.830 -25.722 -4.112 397 2HD ARG 55 HD1 ARG 55 -23.524 -25.235 -4.135 398 HE ARG 55 HE ARG 55 -23.482 -25.568 -6.561 399 1HH1 ARG 55 HH11 ARG 55 -20.878 -27.036 -4.715 400 2HH1 ARG 55 HH12 ARG 55 -20.605 -28.292 -5.882 401 1HH2 ARG 55 HH21 ARG 55 -23.121 -27.244 -8.075 402 2HH2 ARG 55 HH22 ARG 55 -21.876 -28.417 -7.773 403 H ARG 56 HN ARG 56 -24.297 -20.454 -2.911 404 HA ARG 56 HA ARG 56 -23.160 -19.604 -0.493 405 1HB ARG 56 HB2 ARG 56 -23.876 -18.079 -2.302 406 2HB ARG 56 HB1 ARG 56 -25.556 -18.472 -1.962 407 1HG ARG 56 HG2 ARG 56 -25.241 -17.535 0.330 408 2HG ARG 56 HG1 ARG 56 -23.628 -17.012 -0.163 409 1HD ARG 56 HD2 ARG 56 -25.220 -15.181 -0.363 410 2HD ARG 56 HD1 ARG 56 -24.626 -15.660 -1.956 411 HE ARG 56 HE ARG 56 -27.126 -16.869 -1.077 412 1HH1 ARG 56 HH11 ARG 56 -25.591 -14.358 -2.976 413 2HH1 ARG 56 HH12 ARG 56 -26.984 -14.098 -3.975 414 1HH2 ARG 56 HH21 ARG 56 -28.946 -16.526 -2.382 415 2HH2 ARG 56 HH22 ARG 56 -28.895 -15.322 -3.636 416 H ASP 57 HN ASP 57 -26.249 -21.049 -1.259 417 HA ASP 57 HA ASP 57 -27.548 -20.558 1.215 418 1HB ASP 57 HB2 ASP 57 -28.741 -21.197 -0.859 419 2HB ASP 57 HB1 ASP 57 -27.992 -22.788 -0.796 420 H LEU 58 HN LEU 58 -25.151 -22.791 0.178 421 HA LEU 58 HA LEU 58 -25.489 -24.585 2.447 422 1HB LEU 58 HB2 LEU 58 -23.294 -24.573 0.366 423 2HB LEU 58 HB1 LEU 58 -23.723 -25.889 1.444 424 HG LEU 58 HG LEU 58 -25.422 -24.840 -0.828 425 1HD1 LEU 58 HD11 LEU 58 -23.895 -27.428 -0.552 426 2HD1 LEU 58 HD12 LEU 58 -23.483 -26.081 -1.614 427 3HD1 LEU 58 HD13 LEU 58 -24.966 -26.994 -1.886 428 1HD2 LEU 58 HD21 LEU 58 -25.918 -27.150 1.056 429 2HD2 LEU 58 HD22 LEU 58 -26.896 -26.740 -0.354 430 3HD2 LEU 58 HD23 LEU 58 -26.812 -25.629 1.013 431 H PHE 59 HN PHE 59 -23.959 -21.678 1.764 432 HA PHE 59 HA PHE 59 -21.625 -21.993 3.416 433 1HB PHE 59 HB2 PHE 59 -22.837 -19.819 1.793 434 2HB PHE 59 HB1 PHE 59 -21.874 -19.299 3.169 435 HD1 PHE 59 HD1 PHE 59 -21.329 -22.220 0.908 436 HD2 PHE 59 HD2 PHE 59 -19.971 -18.398 2.218 437 HE1 PHE 59 HE1 PHE 59 -19.271 -22.497 -0.415 438 HE2 PHE 59 HE2 PHE 59 -17.919 -18.670 0.900 439 HZ PHE 59 HZ PHE 59 -17.561 -20.722 -0.418 440 H ASP 60 HN ASP 60 -21.256 -21.167 5.437 441 HA ASP 60 HA ASP 60 -23.545 -19.998 6.891 442 1HB ASP 60 HB2 ASP 60 -21.451 -21.855 8.068 443 2HB ASP 60 HB1 ASP 60 -22.800 -21.129 8.932 444 H HIS 61 HN HIS 61 -23.037 -18.334 8.320 445 HA HIS 61 HA HIS 61 -20.736 -16.771 7.760 446 1HB HIS 61 HB2 HIS 61 -22.660 -16.623 10.106 447 2HB HIS 61 HB1 HIS 61 -21.468 -15.392 9.703 448 HD1 HIS 61 HD1 HIS 61 -22.484 -13.482 8.523 449 HD2 HIS 61 HD2 HIS 61 -24.463 -17.035 7.669 450 HE1 HIS 61 HE1 HIS 61 -24.344 -12.860 6.954 451 HE2 HIS 61 HE2 HIS 61 -25.438 -15.041 6.345 452 H ASP 62 HN ASP 62 -21.564 -19.132 10.182 453 HA ASP 62 HA ASP 62 -19.568 -18.747 12.072 454 1HB ASP 62 HB2 ASP 62 -20.816 -21.361 11.170 455 2HB ASP 62 HB1 ASP 62 -19.917 -21.128 12.666 456 H VAL 63 HN VAL 63 -19.514 -20.879 9.217 457 HA VAL 63 HA VAL 63 -16.929 -21.907 9.620 458 HB VAL 63 HB VAL 63 -18.380 -21.548 6.982 459 1HG1 VAL 63 HG11 VAL 63 -16.007 -22.003 6.662 460 2HG1 VAL 63 HG12 VAL 63 -16.968 -23.406 6.197 461 3HG1 VAL 63 HG13 VAL 63 -16.108 -23.396 7.738 462 1HG2 VAL 63 HG21 VAL 63 -19.726 -22.804 8.592 463 2HG2 VAL 63 HG22 VAL 63 -18.374 -23.901 8.882 464 3HG2 VAL 63 HG23 VAL 63 -19.150 -23.854 7.298 465 H ASN 64 HN ASN 64 -18.045 -19.269 7.505 466 HA ASN 64 HA ASN 64 -15.550 -18.569 6.454 467 1HB ASN 64 HB2 ASN 64 -18.105 -17.008 6.824 468 2HB ASN 64 HB1 ASN 64 -16.681 -16.282 6.086 469 1HD2 ASN 64 HD21 ASN 64 -19.355 -16.933 4.989 470 2HD2 ASN 64 HD22 ASN 64 -19.044 -17.906 3.597 471 H ARG 65 HN ARG 65 -17.178 -17.502 9.395 472 HA ARG 65 HA ARG 65 -15.263 -15.560 10.170 473 1HB ARG 65 HB2 ARG 65 -17.402 -15.517 11.242 474 2HB ARG 65 HB1 ARG 65 -17.264 -17.200 11.736 475 1HG ARG 65 HG2 ARG 65 -15.380 -16.563 13.219 476 2HG ARG 65 HG1 ARG 65 -15.656 -14.876 12.786 477 1HD ARG 65 HD2 ARG 65 -17.767 -16.643 14.013 478 2HD ARG 65 HD1 ARG 65 -16.676 -15.635 14.963 479 HE ARG 65 HE ARG 65 -18.880 -14.744 13.278 480 1HH1 ARG 65 HH11 ARG 65 -16.089 -13.898 15.208 481 2HH1 ARG 65 HH12 ARG 65 -16.589 -12.256 15.452 482 1HH2 ARG 65 HH21 ARG 65 -19.552 -12.573 13.600 483 2HH2 ARG 65 HH22 ARG 65 -18.551 -11.498 14.531 484 H ALA 66 HN ALA 66 -15.689 -18.973 11.020 485 HA ALA 66 HA ALA 66 -13.753 -19.289 12.930 486 1HB ALA 66 HB1 ALA 66 -15.374 -21.021 12.326 487 2HB ALA 66 HB2 ALA 66 -13.730 -21.660 12.343 488 3HB ALA 66 HB3 ALA 66 -14.519 -21.297 10.808 489 H TRP 67 HN TRP 67 -13.341 -19.391 9.413 490 HA TRP 67 HA TRP 67 -10.746 -20.312 9.237 491 1HB TRP 67 HB2 TRP 67 -12.311 -18.392 7.531 492 2HB TRP 67 HB1 TRP 67 -10.634 -18.763 7.147 493 HD1 TRP 67 HD1 TRP 67 -14.129 -20.204 6.921 494 HE1 TRP 67 HE1 TRP 67 -14.036 -22.443 5.656 495 HE3 TRP 67 HE3 TRP 67 -9.058 -20.840 6.761 496 HZ2 TRP 67 HZ2 TRP 67 -12.075 -24.242 4.713 497 HZ3 TRP 67 HZ3 TRP 67 -8.153 -22.845 5.659 498 HH2 TRP 67 HH2 TRP 67 -9.632 -24.511 4.657 499 H MET 68 HN MET 68 -11.718 -16.864 9.450 500 HA MET 68 HA MET 68 -9.054 -15.911 9.434 501 1HB MET 68 HB2 MET 68 -9.943 -13.752 10.071 502 2HB MET 68 HB1 MET 68 -10.995 -14.477 8.865 503 1HG MET 68 HG2 MET 68 -12.696 -14.871 10.401 504 2HG MET 68 HG1 MET 68 -11.612 -14.751 11.785 505 1HE MET 68 HE1 MET 68 -9.959 -12.135 11.187 506 2HE MET 68 HE2 MET 68 -10.677 -12.494 12.757 507 3HE MET 68 HE3 MET 68 -10.935 -10.918 12.009 508 H GLU 69 HN GLU 69 -11.069 -17.156 11.960 509 HA GLU 69 HA GLU 69 -9.610 -15.870 14.097 510 1HB GLU 69 HB2 GLU 69 -11.597 -18.133 14.354 511 2HB GLU 69 HB1 GLU 69 -11.119 -16.976 15.590 512 1HG GLU 69 HG2 GLU 69 -12.113 -15.184 14.081 513 2HG GLU 69 HG1 GLU 69 -12.811 -16.503 13.155 514 H GLU 70 HN GLU 70 -9.901 -19.179 12.816 515 HA GLU 70 HA GLU 70 -7.902 -20.133 14.711 516 1HB GLU 70 HB2 GLU 70 -8.436 -22.352 13.935 517 2HB GLU 70 HB1 GLU 70 -9.934 -21.483 14.234 518 1HG GLU 70 HG2 GLU 70 -10.137 -21.053 11.810 519 2HG GLU 70 HG1 GLU 70 -8.673 -21.996 11.541 520 H SER 71 HN SER 71 -7.917 -18.780 11.640 521 HA SER 71 HA SER 71 -5.178 -19.743 11.185 522 1HB SER 71 HB2 SER 71 -7.325 -19.556 9.050 523 2HB SER 71 HB1 SER 71 -5.626 -19.926 8.758 524 HG SER 71 HG SER 71 -6.998 -21.487 10.623 525 H ASP 72 HN ASP 72 -4.007 -17.978 11.467 526 HA ASP 72 HA ASP 72 -4.907 -15.338 10.740 527 1HB ASP 72 HB2 ASP 72 -3.436 -15.692 12.694 528 2HB ASP 72 HB1 ASP 72 -2.180 -16.324 11.638 529 H PHE 73 HN PHE 73 -4.985 -14.797 8.625 530 HA PHE 73 HA PHE 73 -3.480 -16.214 6.652 531 1HB PHE 73 HB2 PHE 73 -5.207 -13.734 6.439 532 2HB PHE 73 HB1 PHE 73 -4.498 -14.566 5.057 533 HD1 PHE 73 HD2 PHE 73 -5.144 -16.969 4.625 534 HD2 PHE 73 HD1 PHE 73 -7.229 -14.491 7.395 535 HE1 PHE 73 HE2 PHE 73 -7.064 -18.505 4.551 536 HE2 PHE 73 HE1 PHE 73 -9.149 -16.027 7.326 537 HZ PHE 73 HZ PHE 73 -9.069 -18.037 5.903 538 H LEU 74 HN LEU 74 -1.436 -15.898 6.135 539 HA LEU 74 HA LEU 74 -0.106 -13.382 6.796 540 1HB LEU 74 HB2 LEU 74 0.867 -16.117 6.013 541 2HB LEU 74 HB1 LEU 74 1.931 -14.734 5.860 542 HG LEU 74 HG LEU 74 1.638 -14.304 8.311 543 1HD1 LEU 74 HD11 LEU 74 0.775 -16.128 9.715 544 2HD1 LEU 74 HD12 LEU 74 0.234 -16.972 8.263 545 3HD1 LEU 74 HD13 LEU 74 -0.475 -15.416 8.694 546 1HD2 LEU 74 HD21 LEU 74 3.108 -16.138 9.018 547 2HD2 LEU 74 HD22 LEU 74 3.598 -15.461 7.466 548 3HD2 LEU 74 HD23 LEU 74 2.741 -17.002 7.524 549 H GLU 75 HN GLU 75 -0.267 -15.566 3.966 550 HA GLU 75 HA GLU 75 -0.152 -13.332 2.127 551 1HB GLU 75 HB2 GLU 75 2.189 -13.509 2.751 552 2HB GLU 75 HB1 GLU 75 2.173 -15.243 2.471 553 1HG GLU 75 HG2 GLU 75 1.829 -14.857 0.079 554 2HG GLU 75 HG1 GLU 75 1.833 -13.116 0.361 555 H LEU 76 HN LEU 76 -0.620 -13.925 -0.011 556 HA LEU 76 HA LEU 76 -1.562 -16.698 -0.376 557 1HB LEU 76 HB2 LEU 76 -3.338 -15.010 -0.518 558 2HB LEU 76 HB1 LEU 76 -2.438 -14.149 -1.753 559 HG LEU 76 HG LEU 76 -2.669 -16.149 -3.243 560 1HD1 LEU 76 HD11 LEU 76 -2.994 -17.857 -1.544 561 2HD1 LEU 76 HD12 LEU 76 -4.342 -17.845 -2.680 562 3HD1 LEU 76 HD13 LEU 76 -4.533 -17.128 -1.080 563 1HD2 LEU 76 HD21 LEU 76 -5.018 -15.749 -3.804 564 2HD2 LEU 76 HD22 LEU 76 -4.167 -14.241 -3.473 565 3HD2 LEU 76 HD23 LEU 76 -5.250 -14.927 -2.260 566 H ARG 77 HN ARG 77 -0.899 -17.842 -2.158 567 HA ARG 77 HA ARG 77 0.883 -16.513 -4.078 568 1HB ARG 77 HB2 ARG 77 2.289 -17.706 -2.451 569 2HB ARG 77 HB1 ARG 77 1.391 -19.189 -2.743 570 1HG ARG 77 HG2 ARG 77 2.187 -19.246 -5.043 571 2HG ARG 77 HG1 ARG 77 3.047 -17.723 -4.799 572 1HD ARG 77 HD2 ARG 77 4.378 -18.842 -3.008 573 2HD ARG 77 HD1 ARG 77 3.589 -20.362 -3.434 574 HE ARG 77 HE ARG 77 4.711 -19.263 -5.755 575 1HH1 ARG 77 HH11 ARG 77 5.742 -20.686 -2.720 576 2HH1 ARG 77 HH12 ARG 77 7.251 -21.252 -3.359 577 1HH2 ARG 77 HH21 ARG 77 6.708 -20.012 -6.580 578 2HH2 ARG 77 HH22 ARG 77 7.801 -20.864 -5.533 579 H VAL 78 HN VAL 78 -0.543 -16.514 -5.744 580 HA VAL 78 HA VAL 78 -2.144 -18.800 -6.433 581 HB VAL 78 HB VAL 78 -1.522 -16.286 -8.003 582 1HG1 VAL 78 HG11 VAL 78 -3.461 -16.873 -9.394 583 2HG1 VAL 78 HG12 VAL 78 -3.641 -18.387 -8.507 584 3HG1 VAL 78 HG13 VAL 78 -2.204 -18.107 -9.492 585 1HG2 VAL 78 HG21 VAL 78 -3.763 -15.554 -7.306 586 2HG2 VAL 78 HG22 VAL 78 -2.704 -15.821 -5.922 587 3HG2 VAL 78 HG23 VAL 78 -3.934 -17.016 -6.334 588 H LEU 79 HN LEU 79 -1.583 -20.474 -7.706 589 HA LEU 79 HA LEU 79 1.142 -20.542 -8.741 590 1HB LEU 79 HB2 LEU 79 -0.945 -22.726 -8.570 591 2HB LEU 79 HB1 LEU 79 0.727 -22.950 -9.052 592 HG LEU 79 HG LEU 79 -0.248 -22.118 -6.312 593 1HD1 LEU 79 HD11 LEU 79 1.058 -24.662 -7.276 594 2HD1 LEU 79 HD12 LEU 79 -0.627 -24.471 -6.792 595 3HD1 LEU 79 HD13 LEU 79 0.658 -24.278 -5.601 596 1HD2 LEU 79 HD21 LEU 79 2.105 -22.282 -5.625 597 2HD2 LEU 79 HD22 LEU 79 1.858 -21.009 -6.819 598 3HD2 LEU 79 HD23 LEU 79 2.574 -22.546 -7.306 599 H GLY 80 HN GLY 80 -2.127 -21.329 -9.946 600 1HA GLY 80 HA2 GLY 80 -1.522 -20.200 -12.535 601 2HA GLY 80 HA1 GLY 80 -1.633 -21.956 -12.539 602 H SER 81 HN SER 81 -3.360 -20.684 -14.108 603 HA SER 81 HA SER 81 -5.920 -21.205 -12.836 604 1HB SER 81 HB2 SER 81 -6.852 -19.009 -13.643 605 2HB SER 81 HB1 SER 81 -5.672 -18.853 -12.342 606 HG SER 81 HG SER 81 -5.176 -17.355 -13.919 607 H SER 82 HN SER 82 -7.596 -21.605 -14.307 608 HA SER 82 HA SER 82 -6.970 -21.584 -17.170 609 1HB SER 82 HB2 SER 82 -8.077 -24.005 -15.705 610 2HB SER 82 HB1 SER 82 -7.762 -23.886 -17.437 611 HG SER 82 HG SER 82 -5.524 -23.537 -16.859 612 H GLU 83 HN GLU 83 -8.591 -20.540 -18.157 613 HA GLU 83 HA GLU 83 -11.276 -20.619 -16.936 614 1HB GLU 83 HB2 GLU 83 -10.196 -18.372 -17.072 615 2HB GLU 83 HB1 GLU 83 -10.130 -18.540 -18.821 616 1HG GLU 83 HG2 GLU 83 -12.590 -18.673 -18.883 617 2HG GLU 83 HG1 GLU 83 -12.630 -18.450 -17.135 618 H LYS 84 HN LYS 84 -12.627 -21.923 -17.963 619 HA LYS 84 HA LYS 84 -12.266 -22.415 -20.849 620 1HB LYS 84 HB2 LYS 84 -13.628 -24.149 -18.766 621 2HB LYS 84 HB1 LYS 84 -13.434 -24.550 -20.466 622 1HG LYS 84 HG2 LYS 84 -11.241 -24.250 -18.424 623 2HG LYS 84 HG1 LYS 84 -11.813 -25.749 -19.162 624 1HD LYS 84 HD2 LYS 84 -11.127 -24.816 -21.388 625 2HD LYS 84 HD1 LYS 84 -10.394 -23.458 -20.529 626 1HE LYS 84 HE2 LYS 84 -8.967 -25.058 -19.298 627 2HE LYS 84 HE1 LYS 84 -9.663 -26.370 -20.249 628 1HZ LYS 84 HZ1 LYS 84 -7.605 -25.746 -21.229 629 2HZ LYS 84 HZ2 LYS 84 -8.022 -24.110 -21.247 630 3HZ LYS 84 HZ3 LYS 84 -8.832 -25.198 -22.260 631 H GLY 85 HN GLY 85 -13.510 -20.116 -20.318 632 1HA GLY 85 HA2 GLY 85 -15.389 -19.095 -21.282 633 2HA GLY 85 HA1 GLY 85 -16.224 -20.641 -21.257 634 H SER 86 HN SER 86 -17.819 -20.812 -19.820 635 HA SER 86 HA SER 86 -18.134 -18.838 -17.740 636 1HB SER 86 HB2 SER 86 -20.234 -20.173 -17.231 637 2HB SER 86 HB1 SER 86 -20.140 -19.504 -18.858 638 HG SER 86 HG SER 86 -20.382 -21.458 -19.545 639 H ARG 87 HN ARG 87 -16.907 -22.049 -18.026 640 HA ARG 87 HA ARG 87 -16.776 -22.448 -15.137 641 1HB ARG 87 HB2 ARG 87 -15.911 -24.138 -17.500 642 2HB ARG 87 HB1 ARG 87 -15.658 -24.604 -15.830 643 1HG ARG 87 HG2 ARG 87 -18.423 -23.951 -16.739 644 2HG ARG 87 HG1 ARG 87 -17.713 -25.498 -17.193 645 1HD ARG 87 HD2 ARG 87 -19.027 -25.719 -15.157 646 2HD ARG 87 HD1 ARG 87 -17.322 -26.018 -14.832 647 HE ARG 87 HE ARG 87 -17.918 -23.313 -14.307 648 1HH1 ARG 87 HH11 ARG 87 -18.623 -26.496 -13.034 649 2HH1 ARG 87 HH12 ARG 87 -18.733 -25.956 -11.389 650 1HH2 ARG 87 HH21 ARG 87 -18.046 -22.606 -12.139 651 2HH2 ARG 87 HH22 ARG 87 -18.424 -23.738 -10.882 652 H GLY 88 HN GLY 88 -14.946 -22.050 -13.972 653 1HA GLY 88 HA2 GLY 88 -12.367 -21.849 -15.323 654 2HA GLY 88 HA1 GLY 88 -12.967 -20.375 -14.574 655 H THR 89 HN THR 89 -10.699 -22.357 -14.021 656 HA THR 89 HA THR 89 -11.247 -22.661 -11.141 657 HB THR 89 HB THR 89 -9.677 -24.636 -12.826 658 HG1 THR 89 HG1 THR 89 -11.577 -25.995 -12.356 659 1HG2 THR 89 HG21 THR 89 -9.012 -24.545 -10.462 660 2HG2 THR 89 HG22 THR 89 -9.821 -26.065 -10.843 661 3HG2 THR 89 HG23 THR 89 -10.691 -24.797 -9.981 662 H VAL 90 HN VAL 90 -9.466 -22.334 -9.768 663 HA VAL 90 HA VAL 90 -6.927 -21.546 -11.020 664 HB VAL 90 HB VAL 90 -8.104 -19.453 -10.568 665 1HG1 VAL 90 HG11 VAL 90 -8.716 -18.773 -8.301 666 2HG1 VAL 90 HG12 VAL 90 -8.241 -20.359 -7.690 667 3HG1 VAL 90 HG13 VAL 90 -9.605 -20.213 -8.799 668 1HG2 VAL 90 HG21 VAL 90 -5.683 -19.466 -10.300 669 2HG2 VAL 90 HG22 VAL 90 -5.854 -19.937 -8.608 670 3HG2 VAL 90 HG23 VAL 90 -6.426 -18.358 -9.146 671 H GLU 91 HN GLU 91 -5.159 -22.249 -9.971 672 HA GLU 91 HA GLU 91 -5.561 -23.736 -7.457 673 1HB GLU 91 HB2 GLU 91 -4.727 -24.981 -9.495 674 2HB GLU 91 HB1 GLU 91 -3.271 -23.998 -9.425 675 1HG GLU 91 HG2 GLU 91 -2.756 -24.892 -7.217 676 2HG GLU 91 HG1 GLU 91 -4.239 -25.846 -7.248 677 H PHE 92 HN PHE 92 -4.421 -23.133 -5.664 678 HA PHE 92 HA PHE 92 -2.334 -21.110 -5.894 679 1HB PHE 92 HB2 PHE 92 -3.506 -19.522 -4.423 680 2HB PHE 92 HB1 PHE 92 -4.412 -19.795 -5.908 681 HD1 PHE 92 HD2 PHE 92 -6.471 -21.167 -5.875 682 HD2 PHE 92 HD1 PHE 92 -4.403 -20.151 -2.288 683 HE1 PHE 92 HE2 PHE 92 -8.449 -21.791 -4.556 684 HE2 PHE 92 HE1 PHE 92 -6.380 -20.777 -0.969 685 HZ PHE 92 HZ PHE 92 -8.406 -21.597 -2.102 686 H ILE 93 HN ILE 93 -1.713 -20.380 -3.608 687 HA ILE 93 HA ILE 93 -1.950 -22.533 -1.627 688 HB ILE 93 HB ILE 93 0.598 -21.151 -2.518 689 1HG1 ILE 93 HG12 ILE 93 -0.154 -24.084 -2.306 690 2HG1 ILE 93 HG11 ILE 93 -0.050 -23.160 -3.798 691 1HG2 ILE 93 HG21 ILE 93 1.738 -22.311 -0.664 692 2HG2 ILE 93 HG22 ILE 93 0.173 -22.851 -0.055 693 3HG2 ILE 93 HG23 ILE 93 0.560 -21.131 -0.090 694 1HD1 ILE 93 HD11 ILE 93 2.231 -23.794 -1.940 695 2HD1 ILE 93 HD12 ILE 93 2.347 -22.841 -3.421 696 3HD1 ILE 93 HD13 ILE 93 1.905 -24.547 -3.502 697 H ALA 94 HN ALA 94 -3.056 -21.600 -0.027 698 HA ALA 94 HA ALA 94 -2.643 -18.781 0.632 699 1HB ALA 94 HB1 ALA 94 -4.574 -19.045 2.110 700 2HB ALA 94 HB2 ALA 94 -4.614 -20.776 1.768 701 3HB ALA 94 HB3 ALA 94 -4.949 -19.615 0.484 702 H ARG 95 HN ARG 95 -1.017 -18.333 1.978 703 HA ARG 95 HA ARG 95 -0.099 -20.361 3.879 704 1HB ARG 95 HB2 ARG 95 1.615 -19.337 2.489 705 2HB ARG 95 HB1 ARG 95 1.117 -17.729 2.999 706 1HG ARG 95 HG2 ARG 95 1.796 -18.290 5.314 707 2HG ARG 95 HG1 ARG 95 2.373 -19.854 4.737 708 1HD ARG 95 HD2 ARG 95 4.008 -18.782 3.321 709 2HD ARG 95 HD1 ARG 95 3.365 -17.190 3.722 710 HE ARG 95 HE ARG 95 4.128 -18.431 6.109 711 1HH1 ARG 95 HH11 ARG 95 5.640 -17.256 3.172 712 2HH1 ARG 95 HH12 ARG 95 7.119 -16.808 3.962 713 1HH2 ARG 95 HH21 ARG 95 6.067 -17.868 7.147 714 2HH2 ARG 95 HH22 ARG 95 7.367 -17.167 6.228 715 H PHE 96 HN PHE 96 -0.977 -20.336 5.819 716 HA PHE 96 HA PHE 96 -1.413 -17.764 7.162 717 1HB PHE 96 HB2 PHE 96 -3.512 -18.851 8.195 718 2HB PHE 96 HB1 PHE 96 -3.622 -18.251 6.546 719 HD1 PHE 96 HD1 PHE 96 -2.430 -21.465 8.077 720 HD2 PHE 96 HD2 PHE 96 -5.010 -19.559 5.272 721 HE1 PHE 96 HE1 PHE 96 -3.237 -23.661 7.329 722 HE2 PHE 96 HE2 PHE 96 -5.823 -21.757 4.528 723 HZ PHE 96 HZ PHE 96 -4.937 -23.810 5.557 724 H ARG 97 HN ARG 97 -1.859 -18.146 9.551 725 HA ARG 97 HA ARG 97 -0.040 -20.234 10.562 726 1HB ARG 97 HB2 ARG 97 0.721 -17.850 10.821 727 2HB ARG 97 HB1 ARG 97 -0.693 -17.553 11.818 728 1HG ARG 97 HG2 ARG 97 0.095 -19.086 13.495 729 2HG ARG 97 HG1 ARG 97 1.441 -19.580 12.463 730 1HD ARG 97 HD2 ARG 97 1.011 -16.784 13.528 731 2HD ARG 97 HD1 ARG 97 2.109 -17.973 14.228 732 HE ARG 97 HE ARG 97 3.367 -17.896 12.123 733 1HH1 ARG 97 HH11 ARG 97 1.202 -15.224 12.819 734 2HH1 ARG 97 HH12 ARG 97 2.033 -14.114 11.778 735 1HH2 ARG 97 HH21 ARG 97 4.462 -16.441 10.762 736 2HH2 ARG 97 HH22 ARG 97 3.894 -14.807 10.612 737 H ARG 98 HN ARG 98 -1.177 -21.828 11.486 738 HA ARG 98 HA ARG 98 -3.939 -21.444 12.181 739 1HB ARG 98 HB2 ARG 98 -3.066 -23.527 11.106 740 2HB ARG 98 HB1 ARG 98 -2.214 -23.900 12.600 741 1HG ARG 98 HG2 ARG 98 -4.281 -24.146 13.796 742 2HG ARG 98 HG1 ARG 98 -5.206 -23.556 12.415 743 1HD ARG 98 HD2 ARG 98 -5.366 -25.977 12.571 744 2HD ARG 98 HD1 ARG 98 -4.495 -25.512 11.110 745 HE ARG 98 HE ARG 98 -2.796 -26.086 13.374 746 1HH1 ARG 98 HH11 ARG 98 -4.472 -27.473 10.607 747 2HH1 ARG 98 HH12 ARG 98 -3.410 -28.846 10.510 748 1HH2 ARG 98 HH21 ARG 98 -1.431 -27.898 13.240 749 2HH2 ARG 98 HH22 ARG 98 -1.684 -29.081 11.994 750 H GLY 99 HN GLY 99 -4.843 -21.270 14.150 751 1HA GLY 99 HA2 GLY 99 -5.041 -20.896 16.400 752 2HA GLY 99 HA1 GLY 99 -3.625 -21.915 16.617 753 H GLY 100 HN GLY 100 -1.596 -20.990 16.759 754 1HA GLY 100 HA2 GLY 100 -1.102 -18.214 16.297 755 2HA GLY 100 HA1 GLY 100 -1.305 -18.551 18.012 756 H GLY 101 HN GLY 101 0.086 -20.795 15.698 757 1HA GLY 101 HA2 GLY 101 2.794 -20.207 16.630 758 2HA GLY 101 HA1 GLY 101 2.145 -21.789 17.037 759 HA PRO 102 HA PRO 102 3.596 -23.344 13.234 760 1HB PRO 102 HB2 PRO 102 1.772 -25.220 12.548 761 2HB PRO 102 HB1 PRO 102 2.840 -25.404 13.945 762 1HG PRO 102 HG2 PRO 102 -0.020 -24.494 13.857 763 2HG PRO 102 HG1 PRO 102 0.754 -25.638 14.972 764 1HD PRO 102 HD2 PRO 102 0.282 -23.045 15.628 765 2HD PRO 102 HD1 PRO 102 1.669 -23.953 16.264 766 H GLU 103 HN GLU 103 3.674 -22.528 11.262 767 HA GLU 103 HA GLU 103 1.317 -21.380 10.002 768 1HB GLU 103 HB2 GLU 103 4.239 -21.486 9.221 769 2HB GLU 103 HB1 GLU 103 2.998 -20.843 8.152 770 1HG GLU 103 HG2 GLU 103 2.450 -19.120 9.757 771 2HG GLU 103 HG1 GLU 103 3.590 -19.798 10.917 772 H GLN 104 HN GLN 104 0.388 -22.144 8.129 773 HA GLN 104 HA GLN 104 1.359 -24.671 7.008 774 1HB GLN 104 HB2 GLN 104 -0.399 -25.285 8.603 775 2HB GLN 104 HB1 GLN 104 -1.497 -24.126 7.869 776 1HG GLN 104 HG2 GLN 104 -1.363 -25.434 5.751 777 2HG GLN 104 HG1 GLN 104 -0.406 -26.638 6.612 778 1HE2 GLN 104 HE21 GLN 104 -1.922 -26.379 9.088 779 2HE2 GLN 104 HE22 GLN 104 -3.451 -27.135 8.801 780 H SER 105 HN SER 105 0.928 -24.912 4.831 781 HA SER 105 HA SER 105 -0.168 -22.535 3.484 782 1HB SER 105 HB2 SER 105 1.170 -23.395 1.506 783 2HB SER 105 HB1 SER 105 2.139 -22.875 2.885 784 HG SER 105 HG SER 105 1.374 -25.568 2.406 785 H HIS 106 HN HIS 106 -2.211 -22.867 2.883 786 HA HIS 106 HA HIS 106 -3.237 -25.526 2.389 787 1HB HIS 106 HB2 HIS 106 -4.537 -23.729 3.590 788 2HB HIS 106 HB1 HIS 106 -4.658 -22.867 2.063 789 HD1 HIS 106 HD1 HIS 106 -7.300 -23.244 2.784 790 HD2 HIS 106 HD2 HIS 106 -5.207 -26.537 1.351 791 HE1 HIS 106 HE1 HIS 106 -9.046 -24.929 2.143 792 HE2 HIS 106 HE2 HIS 106 -7.751 -26.970 1.446 793 H HIS 107 HN HIS 107 -2.599 -26.389 0.520 794 HA HIS 107 HA HIS 107 -2.639 -24.739 -1.918 795 1HB HIS 107 HB2 HIS 107 -0.498 -25.806 -1.503 796 2HB HIS 107 HB1 HIS 107 -1.269 -27.372 -1.311 797 HD1 HIS 107 HD1 HIS 107 0.253 -28.302 -3.203 798 HD2 HIS 107 HD2 HIS 107 -2.351 -25.299 -4.417 799 HE1 HIS 107 HE1 HIS 107 0.281 -28.362 -5.711 800 HE2 HIS 107 HE2 HIS 107 -1.242 -26.494 -6.428 801 H GLU 108 HN GLU 108 -4.621 -24.822 -2.776 802 HA GLU 108 HA GLU 108 -5.727 -27.474 -3.382 803 1HB GLU 108 HB2 GLU 108 -7.953 -26.827 -2.773 804 2HB GLU 108 HB1 GLU 108 -6.911 -26.525 -1.390 805 1HG GLU 108 HG2 GLU 108 -6.952 -24.185 -1.749 806 2HG GLU 108 HG1 GLU 108 -7.680 -24.371 -3.345 807 H ARG 109 HN ARG 109 -7.852 -26.922 -4.790 808 HA ARG 109 HA ARG 109 -7.150 -24.941 -6.837 809 1HB ARG 109 HB2 ARG 109 -6.307 -27.254 -7.446 810 2HB ARG 109 HB1 ARG 109 -7.979 -27.795 -7.451 811 1HG ARG 109 HG2 ARG 109 -8.499 -26.321 -9.282 812 2HG ARG 109 HG1 ARG 109 -6.883 -25.615 -9.221 813 1HD ARG 109 HD2 ARG 109 -5.940 -27.858 -9.755 814 2HD ARG 109 HD1 ARG 109 -7.586 -28.468 -9.933 815 HE ARG 109 HE ARG 109 -7.784 -27.338 -11.943 816 1HH1 ARG 109 HH11 ARG 109 -4.726 -26.592 -10.409 817 2HH1 ARG 109 HH12 ARG 109 -4.096 -25.748 -11.789 818 1HH2 ARG 109 HH21 ARG 109 -6.910 -26.252 -13.790 819 2HH2 ARG 109 HH22 ARG 109 -5.323 -25.556 -13.688 820 H SER 110 HN SER 110 -8.851 -23.591 -6.578 821 HA SER 110 HA SER 110 -11.470 -24.669 -5.859 822 1HB SER 110 HB2 SER 110 -10.530 -21.791 -5.997 823 2HB SER 110 HB1 SER 110 -12.054 -22.357 -5.314 824 HG SER 110 HG SER 110 -10.316 -23.752 -4.049 825 H GLN 111 HN GLN 111 -13.197 -24.669 -7.150 826 HA GLN 111 HA GLN 111 -12.887 -23.733 -9.908 827 1HB GLN 111 HB2 GLN 111 -14.982 -25.528 -8.648 828 2HB GLN 111 HB1 GLN 111 -14.928 -25.089 -10.348 829 1HG GLN 111 HG2 GLN 111 -14.027 -27.288 -10.096 830 2HG GLN 111 HG1 GLN 111 -12.715 -26.193 -10.524 831 1HE2 GLN 111 HE21 GLN 111 -11.133 -27.533 -9.678 832 2HE2 GLN 111 HE22 GLN 111 -10.922 -27.764 -7.978 833 H PHE 112 HN PHE 112 -14.329 -22.339 -10.878 834 HA PHE 112 HA PHE 112 -16.181 -20.883 -9.109 835 1HB PHE 112 HB2 PHE 112 -14.117 -19.703 -10.991 836 2HB PHE 112 HB1 PHE 112 -15.443 -18.773 -10.299 837 HD1 PHE 112 HD1 PHE 112 -12.345 -20.622 -9.515 838 HD2 PHE 112 HD2 PHE 112 -15.385 -18.029 -8.037 839 HE1 PHE 112 HE1 PHE 112 -11.012 -20.211 -7.492 840 HE2 PHE 112 HE2 PHE 112 -14.050 -17.616 -6.013 841 HZ PHE 112 HZ PHE 112 -11.865 -18.709 -5.739 842 H ARG 113 HN ARG 113 -17.880 -19.797 -10.187 843 HA ARG 113 HA ARG 113 -18.549 -20.858 -12.851 844 1HB ARG 113 HB2 ARG 113 -19.916 -21.970 -11.219 845 2HB ARG 113 HB1 ARG 113 -20.284 -20.457 -10.406 846 1HG ARG 113 HG2 ARG 113 -21.654 -19.734 -12.250 847 2HG ARG 113 HG1 ARG 113 -21.185 -21.144 -13.204 848 1HD ARG 113 HD2 ARG 113 -22.236 -22.615 -11.553 849 2HD ARG 113 HD1 ARG 113 -22.671 -21.217 -10.575 850 HE ARG 113 HE ARG 113 -23.717 -21.231 -13.280 851 1HH1 ARG 113 HH11 ARG 113 -24.275 -21.883 -9.884 852 2HH1 ARG 113 HH12 ARG 113 -25.991 -22.086 -10.067 853 1HH2 ARG 113 HH21 ARG 113 -25.977 -21.443 -13.529 854 2HH2 ARG 113 HH22 ARG 113 -26.970 -21.809 -12.153 855 H LYS 114 HN LYS 114 -18.908 -19.342 -14.332 856 HA LYS 114 HA LYS 114 -19.082 -16.558 -13.562 857 1HB LYS 114 HB2 LYS 114 -17.787 -17.488 -15.561 858 2HB LYS 114 HB1 LYS 114 -19.349 -17.688 -16.346 859 1HG LYS 114 HG2 LYS 114 -19.764 -15.279 -16.108 860 2HG LYS 114 HG1 LYS 114 -18.178 -15.092 -15.353 861 1HD LYS 114 HD2 LYS 114 -17.172 -16.052 -17.446 862 2HD LYS 114 HD1 LYS 114 -18.776 -15.971 -18.179 863 1HE LYS 114 HE2 LYS 114 -18.795 -13.524 -17.646 864 2HE LYS 114 HE1 LYS 114 -17.111 -13.677 -17.155 865 1HZ LYS 114 HZ1 LYS 114 -18.212 -14.210 -19.860 866 2HZ LYS 114 HZ2 LYS 114 -16.610 -14.503 -19.404 867 3HZ LYS 114 HZ3 LYS 114 -17.210 -12.920 -19.411 868 H ALA 115 HN ALA 115 -20.997 -15.945 -12.771 869 HA ALA 115 HA ALA 115 -23.451 -16.826 -14.145 870 1HB ALA 115 HB1 ALA 115 -24.633 -16.404 -12.061 871 2HB ALA 115 HB2 ALA 115 -23.145 -15.828 -11.309 872 3HB ALA 115 HB3 ALA 115 -23.294 -17.519 -11.788 873 H ARG 116 HN ARG 116 -24.239 -15.345 -15.454 874 HA ARG 116 HA ARG 116 -24.906 -13.373 -16.355 875 1HB ARG 116 HB2 ARG 116 -25.943 -13.477 -13.857 876 2HB ARG 116 HB1 ARG 116 -24.997 -12.005 -13.707 877 1HG ARG 116 HG2 ARG 116 -27.103 -12.509 -15.809 878 2HG ARG 116 HG1 ARG 116 -27.347 -11.594 -14.323 879 1HD ARG 116 HD2 ARG 116 -25.690 -9.957 -15.038 880 2HD ARG 116 HD1 ARG 116 -25.381 -10.889 -16.504 881 HE ARG 116 HE ARG 116 -28.048 -10.402 -16.611 882 1HH1 ARG 116 HH11 ARG 116 -25.245 -8.345 -16.184 883 2HH1 ARG 116 HH12 ARG 116 -25.957 -6.991 -17.001 884 1HH2 ARG 116 HH21 ARG 116 -28.988 -8.612 -17.684 885 2HH2 ARG 116 HH22 ARG 116 -28.083 -7.140 -17.846 886 H GLY 117 HN GLY 117 -22.177 -13.752 -16.401 887 1HA GLY 117 HA2 GLY 117 -20.485 -12.370 -17.250 888 2HA GLY 117 HA1 GLY 117 -21.325 -10.977 -16.577 889 H ARG 118 HN ARG 118 -21.436 -12.673 -13.986 890 HA ARG 118 HA ARG 118 -18.901 -11.530 -13.008 891 1HB ARG 118 HB2 ARG 118 -21.460 -12.056 -11.476 892 2HB ARG 118 HB1 ARG 118 -20.059 -11.150 -10.913 893 1HG ARG 118 HG2 ARG 118 -20.505 -9.341 -12.350 894 2HG ARG 118 HG1 ARG 118 -21.613 -10.291 -13.341 895 1HD ARG 118 HD2 ARG 118 -23.163 -10.416 -11.434 896 2HD ARG 118 HD1 ARG 118 -22.076 -9.387 -10.500 897 HE ARG 118 HE ARG 118 -23.206 -8.434 -13.046 898 1HH1 ARG 118 HH11 ARG 118 -22.802 -8.055 -9.586 899 2HH1 ARG 118 HH12 ARG 118 -23.641 -6.539 -9.538 900 1HH2 ARG 118 HH21 ARG 118 -24.309 -6.443 -12.963 901 2HH2 ARG 118 HH22 ARG 118 -24.479 -5.618 -11.442 902 H TRP 119 HN TRP 119 -17.489 -12.805 -11.928 903 HA TRP 119 HA TRP 119 -17.961 -15.647 -11.936 904 1HB TRP 119 HB2 TRP 119 -15.581 -13.918 -11.284 905 2HB TRP 119 HB1 TRP 119 -15.570 -15.650 -10.953 906 HD1 TRP 119 HD1 TRP 119 -15.508 -13.157 -13.861 907 HE1 TRP 119 HE1 TRP 119 -14.899 -14.430 -16.020 908 HE3 TRP 119 HE3 TRP 119 -15.730 -17.936 -12.074 909 HZ2 TRP 119 HZ2 TRP 119 -14.572 -17.098 -16.850 910 HZ3 TRP 119 HZ3 TRP 119 -15.264 -19.796 -13.617 911 HH2 TRP 119 HH2 TRP 119 -14.697 -19.383 -15.958 912 H TYR 120 HN TYR 120 -18.418 -16.927 -10.286 913 HA TYR 120 HA TYR 120 -18.311 -15.877 -7.539 914 1HB TYR 120 HB2 TYR 120 -20.613 -17.385 -8.820 915 2HB TYR 120 HB1 TYR 120 -20.469 -17.085 -7.091 916 HD1 TYR 120 HD1 TYR 120 -20.495 -14.710 -6.264 917 HD2 TYR 120 HD2 TYR 120 -21.499 -15.713 -10.274 918 HE1 TYR 120 HE1 TYR 120 -21.587 -12.529 -6.525 919 HE2 TYR 120 HE2 TYR 120 -22.600 -13.529 -10.546 920 HH TYR 120 HH TYR 120 -23.622 -11.783 -9.131 921 H PHE 121 HN PHE 121 -18.023 -17.478 -5.926 922 HA PHE 121 HA PHE 121 -16.339 -19.639 -6.674 923 1HB PHE 121 HB2 PHE 121 -15.933 -18.604 -4.580 924 2HB PHE 121 HB1 PHE 121 -17.606 -18.785 -4.067 925 HD1 PHE 121 HD2 PHE 121 -18.434 -20.942 -3.271 926 HD2 PHE 121 HD1 PHE 121 -14.353 -20.416 -4.373 927 HE1 PHE 121 HE2 PHE 121 -17.863 -23.025 -2.108 928 HE2 PHE 121 HE1 PHE 121 -13.772 -22.500 -3.205 929 HZ PHE 121 HZ PHE 121 -15.523 -23.807 -2.066 930 H SER 122 HN SER 122 -16.809 -21.715 -7.129 931 HA SER 122 HA SER 122 -19.597 -22.613 -6.839 932 1HB SER 122 HB2 SER 122 -17.345 -23.863 -8.444 933 2HB SER 122 HB1 SER 122 -19.047 -24.324 -8.487 934 HG SER 122 HG SER 122 -19.077 -21.798 -8.984 935 H GLU 123 HN GLU 123 -16.283 -23.850 -6.446 936 HA GLU 123 HA GLU 123 -16.888 -25.213 -4.007 937 1HB GLU 123 HB2 GLU 123 -16.474 -27.506 -4.902 938 2HB GLU 123 HB1 GLU 123 -17.962 -26.786 -5.505 939 1HG GLU 123 HG2 GLU 123 -16.618 -26.094 -7.553 940 2HG GLU 123 HG1 GLU 123 -15.362 -27.178 -6.960 941 H GLY 124 HN GLY 124 -14.938 -26.680 -3.430 942 1HA GLY 124 HA2 GLY 124 -12.435 -25.822 -4.666 943 2HA GLY 124 HA1 GLY 124 -12.688 -25.348 -2.990 944 H GLU 125 HN GLU 125 -11.054 -27.465 -4.717 945 HA GLU 125 HA GLU 125 -11.369 -29.644 -2.751 946 1HB GLU 125 HB2 GLU 125 -10.878 -31.256 -4.557 947 2HB GLU 125 HB1 GLU 125 -12.363 -30.362 -4.854 948 1HG GLU 125 HG2 GLU 125 -11.227 -28.935 -6.453 949 2HG GLU 125 HG1 GLU 125 -9.693 -29.733 -6.110 950 H ALA 126 HN ALA 126 -9.487 -30.718 -2.142 951 HA ALA 126 HA ALA 126 -7.043 -29.235 -2.355 952 1HB ALA 126 HB1 ALA 126 -6.089 -31.030 -0.978 953 2HB ALA 126 HB2 ALA 126 -7.566 -31.973 -1.181 954 3HB ALA 126 HB3 ALA 126 -7.610 -30.443 -0.304 955 H VAL 127 HN VAL 127 -5.883 -29.270 -4.165 956 HA VAL 127 HA VAL 127 -6.042 -31.361 -6.101 957 HB VAL 127 HB VAL 127 -5.615 -29.046 -6.780 958 1HG1 VAL 127 HG11 VAL 127 -3.438 -27.983 -6.389 959 2HG1 VAL 127 HG12 VAL 127 -2.958 -29.341 -5.371 960 3HG1 VAL 127 HG13 VAL 127 -4.293 -28.299 -4.879 961 1HG2 VAL 127 HG21 VAL 127 -3.770 -29.457 -8.353 962 2HG2 VAL 127 HG22 VAL 127 -4.873 -30.829 -8.264 963 3HG2 VAL 127 HG23 VAL 127 -3.315 -30.896 -7.439 964 H ASP 128 HN ASP 128 -4.585 -32.967 -6.564 965 HA ASP 128 HA ASP 128 -2.634 -33.588 -4.466 966 1HB ASP 128 HB2 ASP 128 -4.325 -35.313 -5.061 967 2HB ASP 128 HB1 ASP 128 -3.692 -35.344 -6.704 Start of MODEL 10 1 1H MET 1 HT1 MET 1 0.096 1.320 2.265 2 2H MET 1 HT2 MET 1 1.564 0.484 2.224 3 3H MET 1 HT3 MET 1 0.961 1.063 3.696 4 HA MET 1 HA MET 1 0.637 -1.309 3.506 5 1HB MET 1 HB2 MET 1 -1.009 -0.008 4.778 6 2HB MET 1 HB1 MET 1 -1.921 0.312 3.308 7 1HG MET 1 HG2 MET 1 -2.344 -2.118 3.089 8 2HG MET 1 HG1 MET 1 -1.515 -2.369 4.625 9 1HE MET 1 HE1 MET 1 -3.656 -3.649 5.568 10 2HE MET 1 HE2 MET 1 -4.499 -3.396 4.041 11 3HE MET 1 HE3 MET 1 -5.283 -2.968 5.562 12 H ASN 2 HN ASN 2 0.933 -2.719 1.900 13 HA ASN 2 HA ASN 2 -0.313 -2.379 -0.691 14 1HB ASN 2 HB2 ASN 2 1.390 -4.612 0.457 15 2HB ASN 2 HB1 ASN 2 0.774 -4.598 -1.192 16 1HD2 ASN 2 HD21 ASN 2 2.833 -4.599 -2.077 17 2HD2 ASN 2 HD22 ASN 2 3.862 -3.210 -2.037 18 H CYS 3 HN CYS 3 -1.340 -4.603 -1.563 19 HA CYS 3 HA CYS 3 -3.631 -4.999 0.209 20 1HB CYS 3 HB2 CYS 3 -3.733 -4.494 -2.356 21 2HB CYS 3 HB1 CYS 3 -3.402 -6.221 -2.526 22 H VAL 4 HN VAL 4 -3.807 -6.766 1.467 23 HA VAL 4 HA VAL 4 -2.195 -9.031 1.396 24 HB VAL 4 HB VAL 4 -4.173 -10.197 2.537 25 1HG1 VAL 4 HG11 VAL 4 -2.326 -9.162 3.757 26 2HG1 VAL 4 HG12 VAL 4 -3.853 -8.928 4.610 27 3HG1 VAL 4 HG13 VAL 4 -3.141 -7.600 3.691 28 1HG2 VAL 4 HG21 VAL 4 -5.329 -7.406 2.330 29 2HG2 VAL 4 HG22 VAL 4 -5.975 -8.703 3.332 30 3HG2 VAL 4 HG23 VAL 4 -5.976 -8.865 1.577 31 H CYS 5 HN CYS 5 -1.854 -9.687 -0.618 32 HA CYS 5 HA CYS 5 -3.566 -11.529 -1.886 33 1HB CYS 5 HB2 CYS 5 -3.377 -8.780 -3.133 34 2HB CYS 5 HB1 CYS 5 -3.800 -10.214 -4.060 35 H GLY 6 HN GLY 6 -2.524 -12.312 -3.977 36 1HA GLY 6 HA2 GLY 6 0.354 -12.201 -3.830 37 2HA GLY 6 HA1 GLY 6 -0.603 -13.045 -5.041 38 H SER 7 HN SER 7 -0.627 -9.627 -4.134 39 HA SER 7 HA SER 7 0.492 -8.767 -6.648 40 1HB SER 7 HB2 SER 7 -2.387 -8.047 -5.994 41 2HB SER 7 HB1 SER 7 -1.483 -7.600 -7.440 42 HG SER 7 HG SER 7 -1.393 -9.850 -7.952 43 H GLY 8 HN GLY 8 1.643 -6.993 -6.193 44 1HA GLY 8 HA2 GLY 8 1.669 -5.864 -3.592 45 2HA GLY 8 HA1 GLY 8 2.565 -5.279 -4.984 46 H LYS 9 HN LYS 9 -0.372 -5.224 -6.207 47 HA LYS 9 HA LYS 9 -0.757 -2.493 -6.198 48 1HB LYS 9 HB2 LYS 9 -2.963 -4.559 -6.400 49 2HB LYS 9 HB1 LYS 9 -3.024 -2.904 -6.993 50 1HG LYS 9 HG2 LYS 9 -1.111 -3.501 -8.520 51 2HG LYS 9 HG1 LYS 9 -1.354 -5.180 -8.042 52 1HD LYS 9 HD2 LYS 9 -2.535 -4.838 -10.097 53 2HD LYS 9 HD1 LYS 9 -3.738 -4.962 -8.812 54 1HE LYS 9 HE2 LYS 9 -3.857 -2.491 -8.733 55 2HE LYS 9 HE1 LYS 9 -2.717 -2.413 -10.074 56 1HZ LYS 9 HZ1 LYS 9 -5.421 -3.639 -10.151 57 2HZ LYS 9 HZ2 LYS 9 -4.327 -3.610 -11.438 58 3HZ LYS 9 HZ3 LYS 9 -4.975 -2.165 -10.847 59 H THR 10 HN THR 10 -2.471 -1.196 -5.239 60 HA THR 10 HA THR 10 -2.397 -1.387 -2.395 61 HB THR 10 HB THR 10 -3.567 0.709 -2.379 62 HG1 THR 10 HG1 THR 10 -4.264 1.421 -4.677 63 1HG2 THR 10 HG21 THR 10 -1.804 0.628 -4.835 64 2HG2 THR 10 HG22 THR 10 -1.241 0.828 -3.174 65 3HG2 THR 10 HG23 THR 10 -2.242 2.073 -3.922 66 H TYR 11 HN TYR 11 -4.754 -0.625 -1.404 67 HA TYR 11 HA TYR 11 -6.397 -2.929 -1.439 68 1HB TYR 11 HB2 TYR 11 -6.355 -1.534 0.529 69 2HB TYR 11 HB1 TYR 11 -6.852 -0.121 -0.394 70 HD1 TYR 11 HD2 TYR 11 -8.089 -3.576 0.369 71 HD2 TYR 11 HD1 TYR 11 -9.071 0.525 -0.223 72 HE1 TYR 11 HE2 TYR 11 -10.434 -4.059 0.911 73 HE2 TYR 11 HE1 TYR 11 -11.421 0.046 0.320 74 HH TYR 11 HH TYR 11 -12.963 -1.780 0.411 75 H ASP 12 HN ASP 12 -6.976 0.376 -2.636 76 HA ASP 12 HA ASP 12 -9.404 -0.281 -3.957 77 1HB ASP 12 HB2 ASP 12 -8.979 1.996 -3.232 78 2HB ASP 12 HB1 ASP 12 -7.566 2.103 -4.277 79 H ASP 13 HN ASP 13 -6.097 0.284 -5.172 80 HA ASP 13 HA ASP 13 -6.597 -0.026 -7.894 81 1HB ASP 13 HB2 ASP 13 -4.146 -0.590 -6.228 82 2HB ASP 13 HB1 ASP 13 -4.151 -0.880 -7.963 83 H CYS 14 HN CYS 14 -6.532 -2.415 -5.408 84 HA CYS 14 HA CYS 14 -6.625 -4.536 -7.454 85 1HB CYS 14 HB2 CYS 14 -4.767 -4.960 -6.082 86 2HB CYS 14 HB1 CYS 14 -5.638 -4.557 -4.612 87 H CYS 15 HN CYS 15 -7.803 -4.581 -4.066 88 HA CYS 15 HA CYS 15 -10.059 -6.143 -4.929 89 1HB CYS 15 HB2 CYS 15 -9.167 -5.177 -2.224 90 2HB CYS 15 HB1 CYS 15 -10.692 -6.029 -2.457 91 H GLY 16 HN GLY 16 -9.580 -2.776 -4.515 92 1HA GLY 16 HA2 GLY 16 -11.851 -1.902 -3.223 93 2HA GLY 16 HA1 GLY 16 -11.005 -0.982 -4.451 94 HA PRO 17 HA PRO 17 -14.241 -1.344 -7.403 95 1HB PRO 17 HB2 PRO 17 -13.426 -3.018 -9.455 96 2HB PRO 17 HB1 PRO 17 -12.978 -1.319 -9.300 97 1HG PRO 17 HG2 PRO 17 -11.432 -3.765 -8.562 98 2HG PRO 17 HG1 PRO 17 -10.861 -2.250 -9.282 99 1HD PRO 17 HD2 PRO 17 -10.511 -2.816 -6.669 100 2HD PRO 17 HD1 PRO 17 -10.796 -1.159 -7.242 101 H LEU 18 HN LEU 18 -12.933 -4.500 -6.554 102 HA LEU 18 HA LEU 18 -15.278 -5.956 -7.348 103 1HB LEU 18 HB2 LEU 18 -12.924 -6.770 -5.631 104 2HB LEU 18 HB1 LEU 18 -14.212 -7.856 -6.109 105 HG LEU 18 HG LEU 18 -12.425 -8.326 -7.570 106 1HD1 LEU 18 HD11 LEU 18 -14.280 -6.462 -9.053 107 2HD1 LEU 18 HD12 LEU 18 -14.568 -8.170 -8.715 108 3HD1 LEU 18 HD13 LEU 18 -13.247 -7.693 -9.779 109 1HD2 LEU 18 HD21 LEU 18 -12.146 -5.366 -8.090 110 2HD2 LEU 18 HD22 LEU 18 -11.205 -6.648 -8.854 111 3HD2 LEU 18 HD23 LEU 18 -11.055 -6.357 -7.120 112 H LEU 19 HN LEU 19 -13.904 -4.897 -4.258 113 HA LEU 19 HA LEU 19 -15.957 -5.991 -2.637 114 1HB LEU 19 HB2 LEU 19 -13.729 -4.039 -2.230 115 2HB LEU 19 HB1 LEU 19 -14.980 -4.144 -1.004 116 HG LEU 19 HG LEU 19 -13.430 -6.575 -1.930 117 1HD1 LEU 19 HD11 LEU 19 -12.025 -6.303 0.050 118 2HD1 LEU 19 HD12 LEU 19 -12.808 -4.763 0.407 119 3HD1 LEU 19 HD13 LEU 19 -11.835 -4.940 -1.054 120 1HD2 LEU 19 HD21 LEU 19 -14.178 -7.509 0.193 121 2HD2 LEU 19 HD22 LEU 19 -15.550 -7.005 -0.793 122 3HD2 LEU 19 HD23 LEU 19 -15.030 -6.009 0.567 123 H ALA 20 HN ALA 20 -15.694 -3.063 -4.469 124 HA ALA 20 HA ALA 20 -18.008 -1.848 -3.180 125 1HB ALA 20 HB1 ALA 20 -16.164 -0.416 -3.911 126 2HB ALA 20 HB2 ALA 20 -17.657 -0.009 -4.758 127 3HB ALA 20 HB3 ALA 20 -16.406 -0.944 -5.577 128 H ARG 21 HN ARG 21 -17.517 -4.206 -5.469 129 HA ARG 21 HA ARG 21 -18.749 -5.218 -7.081 130 1HB ARG 21 HB2 ARG 21 -20.973 -3.726 -5.680 131 2HB ARG 21 HB1 ARG 21 -21.270 -4.792 -7.041 132 1HG ARG 21 HG2 ARG 21 -21.746 -6.066 -5.140 133 2HG ARG 21 HG1 ARG 21 -20.166 -6.626 -5.680 134 1HD ARG 21 HD2 ARG 21 -19.057 -5.556 -3.905 135 2HD ARG 21 HD1 ARG 21 -20.437 -4.509 -3.557 136 HE ARG 21 HE ARG 21 -21.397 -7.023 -3.138 137 1HH1 ARG 21 HH11 ARG 21 -18.650 -5.269 -1.859 138 2HH1 ARG 21 HH12 ARG 21 -18.697 -6.065 -0.320 139 1HH2 ARG 21 HH21 ARG 21 -21.478 -8.051 -1.125 140 2HH2 ARG 21 HH22 ARG 21 -20.314 -7.649 0.103 141 H THR 22 HN THR 22 -17.679 -2.370 -7.408 142 HA THR 22 HA THR 22 -19.503 -1.187 -9.340 143 HB THR 22 HB THR 22 -18.288 0.221 -7.675 144 HG1 THR 22 HG1 THR 22 -18.327 0.639 -10.403 145 1HG2 THR 22 HG21 THR 22 -16.157 -0.969 -7.629 146 2HG2 THR 22 HG22 THR 22 -15.914 0.729 -8.039 147 3HG2 THR 22 HG23 THR 22 -15.844 -0.500 -9.301 148 H ARG 23 HN ARG 23 -17.415 -3.644 -9.528 149 HA ARG 23 HA ARG 23 -17.131 -3.449 -12.374 150 1HB ARG 23 HB2 ARG 23 -15.200 -2.087 -11.612 151 2HB ARG 23 HB1 ARG 23 -14.626 -3.454 -10.668 152 1HG ARG 23 HG2 ARG 23 -14.333 -4.752 -12.728 153 2HG ARG 23 HG1 ARG 23 -14.888 -3.365 -13.672 154 1HD ARG 23 HD2 ARG 23 -12.411 -3.525 -11.948 155 2HD ARG 23 HD1 ARG 23 -12.474 -3.447 -13.708 156 HE ARG 23 HE ARG 23 -13.720 -1.197 -12.402 157 1HH1 ARG 23 HH11 ARG 23 -10.716 -2.491 -13.664 158 2HH1 ARG 23 HH12 ARG 23 -9.953 -0.942 -13.795 159 1HH2 ARG 23 HH21 ARG 23 -12.709 0.844 -12.546 160 2HH2 ARG 23 HH22 ARG 23 -11.088 0.958 -13.157 161 H SER 24 HN SER 24 -17.135 -5.465 -13.227 162 HA SER 24 HA SER 24 -17.098 -7.739 -11.435 163 1HB SER 24 HB2 SER 24 -17.629 -9.019 -13.551 164 2HB SER 24 HB1 SER 24 -18.791 -7.756 -13.147 165 HG SER 24 HG SER 24 -18.199 -7.732 -15.367 166 H ALA 25 HN ALA 25 -15.463 -9.173 -11.204 167 HA ALA 25 HA ALA 25 -12.849 -8.525 -11.978 168 1HB ALA 25 HB1 ALA 25 -13.310 -9.901 -10.028 169 2HB ALA 25 HB2 ALA 25 -12.238 -10.759 -11.136 170 3HB ALA 25 HB3 ALA 25 -13.949 -11.185 -11.056 171 H ALA 26 HN ALA 26 -15.194 -10.770 -13.352 172 HA ALA 26 HA ALA 26 -15.405 -11.743 -15.380 173 1HB ALA 26 HB1 ALA 26 -15.037 -9.484 -16.240 174 2HB ALA 26 HB2 ALA 26 -14.354 -10.702 -17.318 175 3HB ALA 26 HB3 ALA 26 -13.296 -9.770 -16.257 176 H SER 27 HN SER 27 -12.737 -12.110 -13.533 177 HA SER 27 HA SER 27 -11.787 -14.371 -15.120 178 1HB SER 27 HB2 SER 27 -10.274 -12.453 -15.628 179 2HB SER 27 HB1 SER 27 -9.928 -12.291 -13.908 180 HG SER 27 HG SER 27 -8.789 -13.911 -15.700 181 HA PRO 28 HA PRO 28 -12.400 -16.289 -11.195 182 1HB PRO 28 HB2 PRO 28 -10.740 -18.476 -11.495 183 2HB PRO 28 HB1 PRO 28 -12.367 -18.355 -12.173 184 1HG PRO 28 HG2 PRO 28 -9.723 -17.904 -13.495 185 2HG PRO 28 HG1 PRO 28 -11.176 -18.695 -14.131 186 1HD PRO 28 HD2 PRO 28 -10.501 -16.169 -14.813 187 2HD PRO 28 HD1 PRO 28 -12.194 -16.683 -14.661 188 H GLU 29 HN GLU 29 -9.046 -15.992 -12.323 189 HA GLU 29 HA GLU 29 -7.852 -16.189 -9.758 190 1HB GLU 29 HB2 GLU 29 -5.848 -15.198 -10.875 191 2HB GLU 29 HB1 GLU 29 -6.514 -16.586 -11.726 192 1HG GLU 29 HG2 GLU 29 -7.661 -15.041 -13.276 193 2HG GLU 29 HG1 GLU 29 -6.883 -13.686 -12.460 194 H ALA 30 HN ALA 30 -8.826 -13.431 -11.762 195 HA ALA 30 HA ALA 30 -7.939 -11.387 -10.037 196 1HB ALA 30 HB1 ALA 30 -8.499 -11.012 -12.400 197 2HB ALA 30 HB2 ALA 30 -9.376 -9.908 -11.340 198 3HB ALA 30 HB3 ALA 30 -10.202 -11.301 -12.039 199 H LEU 31 HN LEU 31 -10.728 -13.422 -10.000 200 HA LEU 31 HA LEU 31 -12.206 -11.782 -8.129 201 1HB LEU 31 HB2 LEU 31 -13.310 -13.152 -9.886 202 2HB LEU 31 HB1 LEU 31 -12.718 -14.603 -9.110 203 HG LEU 31 HG LEU 31 -15.173 -13.936 -8.743 204 1HD1 LEU 31 HD11 LEU 31 -14.094 -15.705 -7.474 205 2HD1 LEU 31 HD12 LEU 31 -15.193 -14.777 -6.455 206 3HD1 LEU 31 HD13 LEU 31 -13.452 -14.518 -6.335 207 1HD2 LEU 31 HD21 LEU 31 -15.620 -12.373 -6.933 208 2HD2 LEU 31 HD22 LEU 31 -14.783 -11.569 -8.260 209 3HD2 LEU 31 HD23 LEU 31 -13.899 -12.009 -6.799 210 H MET 32 HN MET 32 -10.304 -14.780 -8.074 211 HA MET 32 HA MET 32 -11.115 -15.552 -5.480 212 1HB MET 32 HB2 MET 32 -9.480 -17.280 -5.586 213 2HB MET 32 HB1 MET 32 -10.158 -17.104 -7.198 214 1HG MET 32 HG2 MET 32 -8.207 -15.926 -7.949 215 2HG MET 32 HG1 MET 32 -7.546 -15.896 -6.314 216 1HE MET 32 HE1 MET 32 -5.257 -16.915 -7.054 217 2HE MET 32 HE2 MET 32 -5.821 -16.872 -8.726 218 3HE MET 32 HE3 MET 32 -5.103 -18.345 -8.074 219 H ARG 33 HN ARG 33 -8.320 -13.621 -6.589 220 HA ARG 33 HA ARG 33 -7.136 -13.670 -3.966 221 1HB ARG 33 HB2 ARG 33 -5.364 -12.466 -4.790 222 2HB ARG 33 HB1 ARG 33 -5.940 -13.232 -6.257 223 1HG ARG 33 HG2 ARG 33 -6.717 -10.431 -5.473 224 2HG ARG 33 HG1 ARG 33 -5.274 -10.799 -6.415 225 1HD ARG 33 HD2 ARG 33 -6.817 -12.001 -8.038 226 2HD ARG 33 HD1 ARG 33 -8.154 -11.245 -7.167 227 HE ARG 33 HE ARG 33 -7.529 -9.170 -8.015 228 1HH1 ARG 33 HH11 ARG 33 -5.285 -11.664 -8.993 229 2HH1 ARG 33 HH12 ARG 33 -4.503 -10.682 -10.190 230 1HH2 ARG 33 HH21 ARG 33 -6.511 -7.866 -9.629 231 2HH2 ARG 33 HH22 ARG 33 -5.222 -8.544 -10.573 232 H SER 34 HN SER 34 -9.497 -11.734 -5.567 233 HA SER 34 HA SER 34 -9.514 -9.589 -3.681 234 1HB SER 34 HB2 SER 34 -11.772 -10.602 -5.443 235 2HB SER 34 HB1 SER 34 -11.684 -9.022 -4.660 236 HG SER 34 HG SER 34 -10.687 -9.771 -7.025 237 H ARG 35 HN ARG 35 -11.187 -12.658 -4.046 238 HA ARG 35 HA ARG 35 -12.834 -12.571 -1.780 239 1HB ARG 35 HB2 ARG 35 -13.027 -14.239 -3.603 240 2HB ARG 35 HB1 ARG 35 -11.506 -14.961 -3.099 241 1HG ARG 35 HG2 ARG 35 -12.597 -15.439 -0.875 242 2HG ARG 35 HG1 ARG 35 -14.123 -14.944 -1.610 243 1HD ARG 35 HD2 ARG 35 -13.913 -17.357 -1.711 244 2HD ARG 35 HD1 ARG 35 -13.821 -16.685 -3.340 245 HE ARG 35 HE ARG 35 -11.216 -16.915 -2.363 246 1HH1 ARG 35 HH11 ARG 35 -13.861 -19.011 -3.297 247 2HH1 ARG 35 HH12 ARG 35 -12.827 -20.333 -3.730 248 1HH2 ARG 35 HH21 ARG 35 -9.855 -18.667 -2.930 249 2HH2 ARG 35 HH22 ARG 35 -10.554 -20.142 -3.510 250 H TYR 36 HN TYR 36 -9.536 -13.822 -2.225 251 HA TYR 36 HA TYR 36 -9.041 -14.811 0.323 252 1HB TYR 36 HB2 TYR 36 -7.465 -15.230 -1.450 253 2HB TYR 36 HB1 TYR 36 -7.176 -13.509 -1.683 254 HD1 TYR 36 HD1 TYR 36 -6.618 -16.345 0.648 255 HD2 TYR 36 HD2 TYR 36 -5.524 -12.363 -0.399 256 HE1 TYR 36 HE1 TYR 36 -4.726 -16.454 2.213 257 HE2 TYR 36 HE2 TYR 36 -3.630 -12.466 1.163 258 HH TYR 36 HH TYR 36 -2.936 -13.695 3.136 259 H ALA 37 HN ALA 37 -8.551 -11.540 -0.939 260 HA ALA 37 HA ALA 37 -7.425 -10.424 1.372 261 1HB ALA 37 HB1 ALA 37 -7.980 -8.256 0.378 262 2HB ALA 37 HB2 ALA 37 -9.026 -9.057 -0.796 263 3HB ALA 37 HB3 ALA 37 -7.285 -9.352 -0.817 264 H ALA 38 HN ALA 38 -10.779 -10.871 0.380 265 HA ALA 38 HA ALA 38 -12.061 -9.192 2.185 266 1HB ALA 38 HB1 ALA 38 -14.033 -10.602 1.883 267 2HB ALA 38 HB2 ALA 38 -13.029 -11.861 1.162 268 3HB ALA 38 HB3 ALA 38 -13.218 -10.309 0.346 269 H TYR 39 HN TYR 39 -10.837 -12.471 2.658 270 HA TYR 39 HA TYR 39 -11.873 -12.761 5.290 271 1HB TYR 39 HB2 TYR 39 -9.981 -14.250 3.562 272 2HB TYR 39 HB1 TYR 39 -9.740 -14.455 5.289 273 HD1 TYR 39 HD2 TYR 39 -12.902 -14.065 5.758 274 HD2 TYR 39 HD1 TYR 39 -10.504 -16.648 3.361 275 HE1 TYR 39 HE2 TYR 39 -14.671 -15.769 5.827 276 HE2 TYR 39 HE1 TYR 39 -12.273 -18.353 3.429 277 HH TYR 39 HH TYR 39 -14.183 -18.975 4.871 278 H ALA 40 HN ALA 40 -8.708 -11.767 4.039 279 HA ALA 40 HA ALA 40 -7.568 -11.383 6.633 280 1HB ALA 40 HB1 ALA 40 -6.647 -10.381 3.939 281 2HB ALA 40 HB2 ALA 40 -6.178 -11.900 4.702 282 3HB ALA 40 HB3 ALA 40 -5.694 -10.365 5.423 283 H LEU 41 HN LEU 41 -9.710 -9.568 4.745 284 HA LEU 41 HA LEU 41 -9.136 -7.080 6.213 285 1HB LEU 41 HB2 LEU 41 -10.836 -7.580 3.761 286 2HB LEU 41 HB1 LEU 41 -10.654 -6.021 4.545 287 HG LEU 41 HG LEU 41 -8.393 -7.584 3.275 288 1HD1 LEU 41 HD11 LEU 41 -8.472 -5.902 1.502 289 2HD1 LEU 41 HD12 LEU 41 -9.901 -5.183 2.245 290 3HD1 LEU 41 HD13 LEU 41 -9.975 -6.820 1.593 291 1HD2 LEU 41 HD21 LEU 41 -7.114 -5.512 3.541 292 2HD2 LEU 41 HD22 LEU 41 -7.650 -6.139 5.099 293 3HD2 LEU 41 HD23 LEU 41 -8.483 -4.767 4.367 294 H LYS 42 HN LYS 42 -10.552 -9.612 7.076 295 HA LYS 42 HA LYS 42 -12.382 -10.345 8.160 296 1HB LYS 42 HB2 LYS 42 -13.140 -8.922 10.043 297 2HB LYS 42 HB1 LYS 42 -11.402 -9.119 9.955 298 1HG LYS 42 HG2 LYS 42 -12.611 -6.688 8.724 299 2HG LYS 42 HG1 LYS 42 -12.523 -6.788 10.482 300 1HD LYS 42 HD2 LYS 42 -10.179 -7.084 8.592 301 2HD LYS 42 HD1 LYS 42 -10.575 -5.631 9.507 302 1HE LYS 42 HE2 LYS 42 -10.255 -6.855 11.601 303 2HE LYS 42 HE1 LYS 42 -9.888 -8.323 10.696 304 1HZ LYS 42 HZ1 LYS 42 -8.313 -5.811 10.553 305 2HZ LYS 42 HZ2 LYS 42 -7.938 -7.273 9.791 306 3HZ LYS 42 HZ3 LYS 42 -7.894 -7.164 11.476 307 H ASP 43 HN ASP 43 -13.028 -9.089 5.584 308 HA ASP 43 HA ASP 43 -15.860 -8.500 6.149 309 1HB ASP 43 HB2 ASP 43 -14.483 -6.941 4.603 310 2HB ASP 43 HB1 ASP 43 -14.575 -8.245 3.423 311 H PHE 44 HN PHE 44 -15.493 -10.904 6.765 312 HA PHE 44 HA PHE 44 -15.299 -12.892 4.803 313 1HB PHE 44 HB2 PHE 44 -16.421 -14.360 6.534 314 2HB PHE 44 HB1 PHE 44 -14.974 -13.521 7.077 315 HD1 PHE 44 HD1 PHE 44 -18.640 -13.688 7.359 316 HD2 PHE 44 HD2 PHE 44 -15.080 -11.824 8.780 317 HE1 PHE 44 HE1 PHE 44 -19.887 -12.757 9.264 318 HE2 PHE 44 HE2 PHE 44 -16.326 -10.893 10.686 319 HZ PHE 44 HZ PHE 44 -18.732 -11.360 10.930 320 H ASP 45 HN ASP 45 -17.774 -10.681 5.352 321 HA ASP 45 HA ASP 45 -20.019 -12.188 4.505 322 1HB ASP 45 HB2 ASP 45 -20.263 -10.054 5.694 323 2HB ASP 45 HB1 ASP 45 -19.512 -9.202 4.348 324 H TYR 46 HN TYR 46 -17.670 -10.126 2.784 325 HA TYR 46 HA TYR 46 -18.852 -10.262 0.244 326 1HB TYR 46 HB2 TYR 46 -16.996 -8.709 0.842 327 2HB TYR 46 HB1 TYR 46 -15.881 -10.069 0.846 328 HD1 TYR 46 HD1 TYR 46 -18.454 -8.570 -1.429 329 HD2 TYR 46 HD2 TYR 46 -14.600 -10.349 -1.074 330 HE1 TYR 46 HE1 TYR 46 -18.083 -8.234 -3.834 331 HE2 TYR 46 HE2 TYR 46 -14.223 -10.018 -3.482 332 HH TYR 46 HH TYR 46 -16.305 -8.075 -5.416 333 H ILE 47 HN ILE 47 -16.782 -12.501 1.957 334 HA ILE 47 HA ILE 47 -16.127 -14.306 -0.063 335 HB ILE 47 HB ILE 47 -16.918 -15.007 2.780 336 1HG1 ILE 47 HG12 ILE 47 -15.143 -13.270 2.662 337 2HG1 ILE 47 HG11 ILE 47 -14.575 -14.778 3.365 338 1HG2 ILE 47 HG21 ILE 47 -16.829 -16.956 1.317 339 2HG2 ILE 47 HG22 ILE 47 -15.491 -16.980 2.467 340 3HG2 ILE 47 HG23 ILE 47 -15.204 -16.508 0.791 341 1HD1 ILE 47 HD11 ILE 47 -12.933 -13.813 1.871 342 2HD1 ILE 47 HD12 ILE 47 -14.094 -13.856 0.544 343 3HD1 ILE 47 HD13 ILE 47 -13.510 -15.361 1.256 344 H VAL 48 HN VAL 48 -18.954 -14.250 2.069 345 HA VAL 48 HA VAL 48 -20.306 -16.444 0.935 346 HB VAL 48 HB VAL 48 -21.577 -14.068 2.326 347 1HG1 VAL 48 HG11 VAL 48 -23.280 -15.701 3.018 348 2HG1 VAL 48 HG12 VAL 48 -22.460 -16.946 2.074 349 3HG1 VAL 48 HG13 VAL 48 -23.182 -15.556 1.263 350 1HG2 VAL 48 HG21 VAL 48 -19.737 -14.909 3.689 351 2HG2 VAL 48 HG22 VAL 48 -20.370 -16.551 3.560 352 3HG2 VAL 48 HG23 VAL 48 -21.288 -15.316 4.425 353 H GLU 49 HN GLU 49 -20.369 -12.984 0.261 354 HA GLU 49 HA GLU 49 -22.496 -12.990 -1.591 355 1HB GLU 49 HB2 GLU 49 -20.169 -11.094 -1.228 356 2HB GLU 49 HB1 GLU 49 -21.493 -10.799 -2.348 357 1HG GLU 49 HG2 GLU 49 -21.750 -11.110 0.642 358 2HG GLU 49 HG1 GLU 49 -21.788 -9.588 -0.249 359 H THR 50 HN THR 50 -19.114 -13.793 -1.920 360 HA THR 50 HA THR 50 -19.336 -13.852 -4.846 361 HB THR 50 HB THR 50 -16.862 -14.379 -4.758 362 HG1 THR 50 HG1 THR 50 -17.056 -13.539 -2.049 363 1HG2 THR 50 HG21 THR 50 -16.196 -12.077 -4.248 364 2HG2 THR 50 HG22 THR 50 -17.750 -11.797 -3.460 365 3HG2 THR 50 HG23 THR 50 -17.684 -12.112 -5.195 366 H THR 51 HN THR 51 -20.370 -15.843 -2.653 367 HA THR 51 HA THR 51 -19.123 -18.297 -3.592 368 HB THR 51 HB THR 51 -21.469 -17.963 -1.700 369 HG1 THR 51 HG1 THR 51 -19.133 -17.141 -1.213 370 1HG2 THR 51 HG21 THR 51 -20.945 -20.244 -1.004 371 2HG2 THR 51 HG22 THR 51 -19.615 -20.312 -2.160 372 3HG2 THR 51 HG23 THR 51 -21.279 -20.204 -2.737 373 H ASP 52 HN ASP 52 -20.289 -19.954 -4.672 374 HA ASP 52 HA ASP 52 -21.854 -19.290 -6.836 375 1HB ASP 52 HB2 ASP 52 -20.678 -21.504 -6.308 376 2HB ASP 52 HB1 ASP 52 -22.090 -21.914 -5.350 377 HA PRO 53 HA PRO 53 -25.810 -18.074 -5.200 378 1HB PRO 53 HB2 PRO 53 -27.371 -19.147 -7.280 379 2HB PRO 53 HB1 PRO 53 -26.672 -17.527 -7.232 380 1HG PRO 53 HG2 PRO 53 -25.656 -19.995 -8.577 381 2HG PRO 53 HG1 PRO 53 -25.592 -18.308 -9.124 382 1HD PRO 53 HD2 PRO 53 -23.422 -19.516 -8.135 383 2HD PRO 53 HD1 PRO 53 -23.758 -17.811 -7.766 384 H GLU 54 HN GLU 54 -25.124 -21.362 -6.146 385 HA GLU 54 HA GLU 54 -27.384 -22.442 -4.656 386 1HB GLU 54 HB2 GLU 54 -25.133 -23.799 -6.164 387 2HB GLU 54 HB1 GLU 54 -26.485 -24.638 -5.410 388 1HG GLU 54 HG2 GLU 54 -28.048 -23.565 -6.899 389 2HG GLU 54 HG1 GLU 54 -26.765 -22.571 -7.586 390 H ARG 55 HN ARG 55 -23.840 -22.375 -4.471 391 HA ARG 55 HA ARG 55 -23.662 -24.025 -2.152 392 1HB ARG 55 HB2 ARG 55 -21.659 -22.081 -3.321 393 2HB ARG 55 HB1 ARG 55 -21.306 -23.237 -2.045 394 1HG ARG 55 HG2 ARG 55 -22.216 -23.984 -4.816 395 2HG ARG 55 HG1 ARG 55 -20.537 -23.935 -4.291 396 1HD ARG 55 HD2 ARG 55 -21.120 -25.611 -2.524 397 2HD ARG 55 HD1 ARG 55 -22.722 -25.741 -3.254 398 HE ARG 55 HE ARG 55 -21.153 -26.224 -5.358 399 1HH1 ARG 55 HH11 ARG 55 -21.040 -27.524 -2.106 400 2HH1 ARG 55 HH12 ARG 55 -20.327 -29.026 -2.601 401 1HH2 ARG 55 HH21 ARG 55 -20.183 -28.177 -6.004 402 2HH2 ARG 55 HH22 ARG 55 -19.840 -29.399 -4.819 403 H ARG 56 HN ARG 56 -24.326 -20.673 -2.621 404 HA ARG 56 HA ARG 56 -23.188 -19.618 -0.274 405 1HB ARG 56 HB2 ARG 56 -24.020 -18.294 -2.266 406 2HB ARG 56 HB1 ARG 56 -25.653 -18.531 -1.651 407 1HG ARG 56 HG2 ARG 56 -25.054 -17.379 0.418 408 2HG ARG 56 HG1 ARG 56 -23.405 -17.169 -0.167 409 1HD ARG 56 HD2 ARG 56 -24.461 -15.109 -0.553 410 2HD ARG 56 HD1 ARG 56 -24.421 -15.904 -2.127 411 HE ARG 56 HE ARG 56 -26.834 -16.612 -1.366 412 1HH1 ARG 56 HH11 ARG 56 -25.272 -13.517 -0.893 413 2HH1 ARG 56 HH12 ARG 56 -26.748 -12.614 -0.933 414 1HH2 ARG 56 HH21 ARG 56 -28.794 -15.428 -1.424 415 2HH2 ARG 56 HH22 ARG 56 -28.754 -13.703 -1.245 416 H ASP 57 HN ASP 57 -26.094 -21.415 -0.806 417 HA ASP 57 HA ASP 57 -27.461 -20.621 1.574 418 1HB ASP 57 HB2 ASP 57 -28.551 -21.679 -0.439 419 2HB ASP 57 HB1 ASP 57 -27.810 -23.206 0.030 420 H LEU 58 HN LEU 58 -24.808 -22.613 0.927 421 HA LEU 58 HA LEU 58 -25.048 -24.112 3.437 422 1HB LEU 58 HB2 LEU 58 -22.997 -24.352 1.222 423 2HB LEU 58 HB1 LEU 58 -23.184 -25.443 2.585 424 HG LEU 58 HG LEU 58 -25.266 -25.029 0.426 425 1HD1 LEU 58 HD11 LEU 58 -23.270 -26.092 -0.485 426 2HD1 LEU 58 HD12 LEU 58 -24.613 -27.230 -0.398 427 3HD1 LEU 58 HD13 LEU 58 -23.317 -27.303 0.797 428 1HD2 LEU 58 HD21 LEU 58 -26.223 -25.714 2.566 429 2HD2 LEU 58 HD22 LEU 58 -25.094 -27.066 2.654 430 3HD2 LEU 58 HD23 LEU 58 -26.321 -27.021 1.387 431 H PHE 59 HN PHE 59 -24.128 -21.167 2.656 432 HA PHE 59 HA PHE 59 -21.631 -21.139 4.215 433 1HB PHE 59 HB2 PHE 59 -22.662 -19.504 1.950 434 2HB PHE 59 HB1 PHE 59 -21.725 -18.651 3.169 435 HD1 PHE 59 HD1 PHE 59 -21.407 -22.010 1.529 436 HD2 PHE 59 HD2 PHE 59 -19.593 -18.267 2.454 437 HE1 PHE 59 HE1 PHE 59 -19.319 -22.758 0.462 438 HE2 PHE 59 HE2 PHE 59 -17.508 -19.008 1.391 439 HZ PHE 59 HZ PHE 59 -17.366 -21.257 0.392 440 H ASP 60 HN ASP 60 -21.690 -20.360 6.199 441 HA ASP 60 HA ASP 60 -23.781 -18.403 6.918 442 1HB ASP 60 HB2 ASP 60 -22.490 -20.524 8.658 443 2HB ASP 60 HB1 ASP 60 -23.505 -19.228 9.280 444 H HIS 61 HN HIS 61 -23.125 -16.537 7.824 445 HA HIS 61 HA HIS 61 -20.535 -15.600 7.406 446 1HB HIS 61 HB2 HIS 61 -22.620 -14.548 9.337 447 2HB HIS 61 HB1 HIS 61 -21.198 -13.661 8.799 448 HD1 HIS 61 HD1 HIS 61 -24.677 -14.164 8.024 449 HD2 HIS 61 HD2 HIS 61 -21.257 -13.229 5.857 450 HE1 HIS 61 HE1 HIS 61 -25.496 -13.195 5.854 451 HE2 HIS 61 HE2 HIS 61 -23.410 -12.461 4.650 452 H ASP 62 HN ASP 62 -22.011 -17.017 10.265 453 HA ASP 62 HA ASP 62 -19.977 -16.442 12.126 454 1HB ASP 62 HB2 ASP 62 -21.947 -18.744 12.045 455 2HB ASP 62 HB1 ASP 62 -20.931 -18.356 13.431 456 H VAL 63 HN VAL 63 -20.428 -19.151 9.906 457 HA VAL 63 HA VAL 63 -18.243 -20.695 10.870 458 HB VAL 63 HB VAL 63 -19.521 -20.763 8.120 459 1HG1 VAL 63 HG11 VAL 63 -18.646 -23.076 8.039 460 2HG1 VAL 63 HG12 VAL 63 -17.811 -22.793 9.569 461 3HG1 VAL 63 HG13 VAL 63 -17.363 -21.869 8.135 462 1HG2 VAL 63 HG21 VAL 63 -20.877 -22.616 8.994 463 2HG2 VAL 63 HG22 VAL 63 -21.180 -21.122 9.881 464 3HG2 VAL 63 HG23 VAL 63 -20.171 -22.381 10.594 465 H ASN 64 HN ASN 64 -18.637 -18.464 8.136 466 HA ASN 64 HA ASN 64 -16.006 -18.575 7.165 467 1HB ASN 64 HB2 ASN 64 -18.033 -16.323 7.069 468 2HB ASN 64 HB1 ASN 64 -16.518 -16.319 6.173 469 1HD2 ASN 64 HD21 ASN 64 -17.523 -16.251 4.194 470 2HD2 ASN 64 HD22 ASN 64 -18.374 -17.600 3.530 471 H ARG 65 HN ARG 65 -17.481 -16.676 9.734 472 HA ARG 65 HA ARG 65 -15.337 -14.943 10.283 473 1HB ARG 65 HB2 ARG 65 -17.668 -14.784 11.241 474 2HB ARG 65 HB1 ARG 65 -17.267 -16.119 12.307 475 1HG ARG 65 HG2 ARG 65 -15.331 -14.640 13.117 476 2HG ARG 65 HG1 ARG 65 -16.171 -13.321 12.298 477 1HD ARG 65 HD2 ARG 65 -16.925 -13.221 14.526 478 2HD ARG 65 HD1 ARG 65 -18.232 -14.021 13.650 479 HE ARG 65 HE ARG 65 -16.307 -15.815 14.835 480 1HH1 ARG 65 HH11 ARG 65 -19.353 -14.138 15.304 481 2HH1 ARG 65 HH12 ARG 65 -19.822 -15.135 16.643 482 1HH2 ARG 65 HH21 ARG 65 -16.949 -17.121 16.585 483 2HH2 ARG 65 HH22 ARG 65 -18.488 -16.847 17.340 484 H ALA 66 HN ALA 66 -16.255 -18.019 11.812 485 HA ALA 66 HA ALA 66 -14.147 -18.290 13.580 486 1HB ALA 66 HB1 ALA 66 -14.657 -20.684 13.585 487 2HB ALA 66 HB2 ALA 66 -15.604 -20.491 12.107 488 3HB ALA 66 HB3 ALA 66 -16.131 -19.717 13.602 489 H TRP 67 HN TRP 67 -14.326 -19.153 10.179 490 HA TRP 67 HA TRP 67 -11.976 -20.650 9.954 491 1HB TRP 67 HB2 TRP 67 -13.760 -20.488 8.215 492 2HB TRP 67 HB1 TRP 67 -13.225 -18.851 7.853 493 HD1 TRP 67 HD1 TRP 67 -10.857 -18.596 6.566 494 HE1 TRP 67 HE1 TRP 67 -9.547 -20.245 5.089 495 HE3 TRP 67 HE3 TRP 67 -13.205 -22.937 7.909 496 HZ2 TRP 67 HZ2 TRP 67 -9.509 -23.016 4.562 497 HZ3 TRP 67 HZ3 TRP 67 -12.471 -25.044 6.870 498 HH2 TRP 67 HH2 TRP 67 -10.662 -25.083 5.231 499 H MET 68 HN MET 68 -12.492 -17.170 9.332 500 HA MET 68 HA MET 68 -9.728 -16.673 8.827 501 1HB MET 68 HB2 MET 68 -10.317 -14.299 8.849 502 2HB MET 68 HB1 MET 68 -11.458 -15.221 7.882 503 1HG MET 68 HG2 MET 68 -13.162 -14.998 9.467 504 2HG MET 68 HG1 MET 68 -12.038 -14.539 10.745 505 1HE MET 68 HE1 MET 68 -10.184 -12.413 9.313 506 2HE MET 68 HE2 MET 68 -10.861 -12.232 10.931 507 3HE MET 68 HE3 MET 68 -11.024 -10.928 9.756 508 H GLU 69 HN GLU 69 -11.695 -16.696 11.712 509 HA GLU 69 HA GLU 69 -10.024 -15.106 13.348 510 1HB GLU 69 HB2 GLU 69 -11.929 -17.326 14.125 511 2HB GLU 69 HB1 GLU 69 -11.166 -16.220 15.260 512 1HG GLU 69 HG2 GLU 69 -12.282 -14.339 14.043 513 2HG GLU 69 HG1 GLU 69 -13.155 -15.545 13.109 514 H GLU 70 HN GLU 70 -10.043 -18.540 12.572 515 HA GLU 70 HA GLU 70 -7.789 -18.993 14.389 516 1HB GLU 70 HB2 GLU 70 -8.158 -21.356 14.018 517 2HB GLU 70 HB1 GLU 70 -9.683 -20.583 14.426 518 1HG GLU 70 HG2 GLU 70 -10.374 -20.623 12.109 519 2HG GLU 70 HG1 GLU 70 -8.808 -21.273 11.623 520 H SER 71 HN SER 71 -8.040 -17.812 11.392 521 HA SER 71 HA SER 71 -5.505 -19.067 10.554 522 1HB SER 71 HB2 SER 71 -7.803 -18.472 8.668 523 2HB SER 71 HB1 SER 71 -6.261 -19.224 8.252 524 HG SER 71 HG SER 71 -8.408 -20.269 9.749 525 H ASP 72 HN ASP 72 -4.155 -17.366 10.904 526 HA ASP 72 HA ASP 72 -4.773 -14.683 10.055 527 1HB ASP 72 HB2 ASP 72 -2.193 -15.995 10.949 528 2HB ASP 72 HB1 ASP 72 -2.281 -14.311 10.455 529 H PHE 73 HN PHE 73 -5.166 -14.562 7.880 530 HA PHE 73 HA PHE 73 -3.733 -16.045 5.928 531 1HB PHE 73 HB2 PHE 73 -5.513 -13.608 5.673 532 2HB PHE 73 HB1 PHE 73 -4.869 -14.504 4.298 533 HD1 PHE 73 HD2 PHE 73 -5.649 -16.757 3.798 534 HD2 PHE 73 HD1 PHE 73 -7.276 -14.540 7.051 535 HE1 PHE 73 HE2 PHE 73 -7.520 -18.345 3.941 536 HE2 PHE 73 HE1 PHE 73 -9.145 -16.132 7.200 537 HZ PHE 73 HZ PHE 73 -9.268 -18.035 5.644 538 H LEU 74 HN LEU 74 -1.739 -15.750 5.284 539 HA LEU 74 HA LEU 74 -0.382 -13.235 5.960 540 1HB LEU 74 HB2 LEU 74 0.724 -15.994 5.403 541 2HB LEU 74 HB1 LEU 74 1.687 -14.592 5.825 542 HG LEU 74 HG LEU 74 -0.395 -15.853 7.621 543 1HD1 LEU 74 HD11 LEU 74 2.615 -16.051 7.719 544 2HD1 LEU 74 HD12 LEU 74 1.492 -17.353 7.322 545 3HD1 LEU 74 HD13 LEU 74 1.502 -16.662 8.944 546 1HD2 LEU 74 HD21 LEU 74 1.637 -13.687 8.166 547 2HD2 LEU 74 HD22 LEU 74 0.570 -14.425 9.361 548 3HD2 LEU 74 HD23 LEU 74 -0.110 -13.472 8.043 549 H GLU 75 HN GLU 75 -0.602 -15.640 3.334 550 HA GLU 75 HA GLU 75 0.054 -13.610 1.370 551 1HB GLU 75 HB2 GLU 75 2.279 -14.309 2.131 552 2HB GLU 75 HB1 GLU 75 1.873 -15.991 1.826 553 1HG GLU 75 HG2 GLU 75 3.246 -15.225 0.038 554 2HG GLU 75 HG1 GLU 75 1.611 -15.437 -0.585 555 H LEU 76 HN LEU 76 -0.354 -14.248 -0.774 556 HA LEU 76 HA LEU 76 -1.687 -16.861 -1.113 557 1HB LEU 76 HB2 LEU 76 -3.288 -14.965 -1.220 558 2HB LEU 76 HB1 LEU 76 -2.348 -14.265 -2.526 559 HG LEU 76 HG LEU 76 -2.840 -16.285 -3.910 560 1HD1 LEU 76 HD11 LEU 76 -3.234 -17.881 -2.113 561 2HD1 LEU 76 HD12 LEU 76 -4.619 -17.805 -3.202 562 3HD1 LEU 76 HD13 LEU 76 -4.687 -17.002 -1.632 563 1HD2 LEU 76 HD21 LEU 76 -5.164 -15.703 -4.392 564 2HD2 LEU 76 HD22 LEU 76 -4.181 -14.260 -4.151 565 3HD2 LEU 76 HD23 LEU 76 -5.264 -14.812 -2.872 566 H ARG 77 HN ARG 77 -1.008 -18.076 -2.805 567 HA ARG 77 HA ARG 77 1.014 -16.938 -4.609 568 1HB ARG 77 HB2 ARG 77 2.234 -18.174 -2.940 569 2HB ARG 77 HB1 ARG 77 1.146 -19.548 -3.079 570 1HG ARG 77 HG2 ARG 77 1.986 -20.092 -5.249 571 2HG ARG 77 HG1 ARG 77 2.912 -18.591 -5.327 572 1HD ARG 77 HD2 ARG 77 3.382 -20.687 -3.212 573 2HD ARG 77 HD1 ARG 77 4.212 -20.701 -4.767 574 HE ARG 77 HE ARG 77 4.593 -18.169 -3.739 575 1HH1 ARG 77 HH11 ARG 77 5.276 -21.410 -2.592 576 2HH1 ARG 77 HH12 ARG 77 6.793 -20.964 -1.876 577 1HH2 ARG 77 HH21 ARG 77 6.586 -17.594 -2.779 578 2HH2 ARG 77 HH22 ARG 77 7.524 -18.813 -1.972 579 H VAL 78 HN VAL 78 -0.143 -16.844 -6.409 580 HA VAL 78 HA VAL 78 -2.090 -18.817 -7.169 581 HB VAL 78 HB VAL 78 -0.913 -16.511 -8.730 582 1HG1 VAL 78 HG11 VAL 78 -1.942 -18.160 -10.210 583 2HG1 VAL 78 HG12 VAL 78 -2.911 -16.688 -10.153 584 3HG1 VAL 78 HG13 VAL 78 -3.423 -18.116 -9.251 585 1HG2 VAL 78 HG21 VAL 78 -3.436 -16.653 -7.079 586 2HG2 VAL 78 HG22 VAL 78 -2.963 -15.296 -8.101 587 3HG2 VAL 78 HG23 VAL 78 -1.981 -15.729 -6.700 588 H LEU 79 HN LEU 79 -1.899 -20.412 -8.720 589 HA LEU 79 HA LEU 79 0.839 -20.919 -9.698 590 1HB LEU 79 HB2 LEU 79 -1.383 -22.919 -9.251 591 2HB LEU 79 HB1 LEU 79 0.263 -23.284 -9.739 592 HG LEU 79 HG LEU 79 -0.619 -22.187 -7.063 593 1HD1 LEU 79 HD11 LEU 79 0.215 -24.311 -6.194 594 2HD1 LEU 79 HD12 LEU 79 0.596 -24.839 -7.834 595 3HD1 LEU 79 HD13 LEU 79 -1.081 -24.558 -7.365 596 1HD2 LEU 79 HD21 LEU 79 1.524 -21.203 -7.703 597 2HD2 LEU 79 HD22 LEU 79 2.174 -22.808 -8.039 598 3HD2 LEU 79 HD23 LEU 79 1.729 -22.362 -6.390 599 H GLY 80 HN GLY 80 -2.480 -21.876 -10.650 600 1HA GLY 80 HA2 GLY 80 -1.927 -20.967 -13.388 601 2HA GLY 80 HA1 GLY 80 -2.295 -22.670 -13.147 602 H SER 81 HN SER 81 -3.879 -21.164 -14.799 603 HA SER 81 HA SER 81 -6.432 -21.229 -13.416 604 1HB SER 81 HB2 SER 81 -7.012 -18.915 -14.240 605 2HB SER 81 HB1 SER 81 -5.787 -18.950 -12.971 606 HG SER 81 HG SER 81 -4.966 -17.617 -14.491 607 H SER 82 HN SER 82 -8.234 -21.298 -14.843 608 HA SER 82 HA SER 82 -7.785 -21.321 -17.712 609 1HB SER 82 HB2 SER 82 -8.855 -23.790 -16.307 610 2HB SER 82 HB1 SER 82 -8.592 -23.595 -18.039 611 HG SER 82 HG SER 82 -6.288 -23.127 -17.237 612 H GLU 83 HN GLU 83 -9.451 -20.173 -18.509 613 HA GLU 83 HA GLU 83 -12.070 -20.294 -17.180 614 1HB GLU 83 HB2 GLU 83 -11.234 -18.037 -17.650 615 2HB GLU 83 HB1 GLU 83 -11.046 -18.438 -19.353 616 1HG GLU 83 HG2 GLU 83 -13.504 -18.811 -19.481 617 2HG GLU 83 HG1 GLU 83 -13.635 -18.255 -17.815 618 H LYS 84 HN LYS 84 -13.441 -21.769 -17.925 619 HA LYS 84 HA LYS 84 -13.229 -22.628 -20.736 620 1HB LYS 84 HB2 LYS 84 -14.556 -24.140 -18.470 621 2HB LYS 84 HB1 LYS 84 -14.147 -24.746 -20.069 622 1HG LYS 84 HG2 LYS 84 -12.193 -23.969 -17.906 623 2HG LYS 84 HG1 LYS 84 -12.609 -25.610 -18.403 624 1HD LYS 84 HD2 LYS 84 -11.340 -23.534 -20.193 625 2HD LYS 84 HD1 LYS 84 -10.455 -24.800 -19.344 626 1HE LYS 84 HE2 LYS 84 -11.638 -26.510 -20.588 627 2HE LYS 84 HE1 LYS 84 -12.648 -25.288 -21.364 628 1HZ LYS 84 HZ1 LYS 84 -10.683 -24.380 -22.424 629 2HZ LYS 84 HZ2 LYS 84 -10.852 -26.016 -22.809 630 3HZ LYS 84 HZ3 LYS 84 -9.704 -25.531 -21.667 631 H GLY 85 HN GLY 85 -14.456 -20.338 -20.586 632 1HA GLY 85 HA2 GLY 85 -16.400 -19.387 -21.417 633 2HA GLY 85 HA1 GLY 85 -17.209 -20.940 -21.247 634 H SER 86 HN SER 86 -18.698 -21.072 -19.705 635 HA SER 86 HA SER 86 -18.917 -18.895 -17.772 636 1HB SER 86 HB2 SER 86 -21.197 -19.929 -17.367 637 2HB SER 86 HB1 SER 86 -20.923 -19.318 -18.998 638 HG SER 86 HG SER 86 -21.735 -21.687 -18.385 639 H ARG 87 HN ARG 87 -17.412 -21.776 -17.835 640 HA ARG 87 HA ARG 87 -17.591 -22.057 -14.906 641 1HB ARG 87 HB2 ARG 87 -18.776 -23.901 -16.378 642 2HB ARG 87 HB1 ARG 87 -17.140 -24.460 -16.675 643 1HG ARG 87 HG2 ARG 87 -18.323 -24.132 -13.920 644 2HG ARG 87 HG1 ARG 87 -18.376 -25.635 -14.837 645 1HD ARG 87 HD2 ARG 87 -15.869 -24.182 -13.985 646 2HD ARG 87 HD1 ARG 87 -16.552 -25.598 -13.189 647 HE ARG 87 HE ARG 87 -15.687 -25.716 -16.009 648 1HH1 ARG 87 HH11 ARG 87 -15.613 -26.974 -12.740 649 2HH1 ARG 87 HH12 ARG 87 -14.513 -28.261 -13.123 650 1HH2 ARG 87 HH21 ARG 87 -14.227 -27.418 -16.516 651 2HH2 ARG 87 HH22 ARG 87 -13.710 -28.500 -15.258 652 H GLY 88 HN GLY 88 -15.583 -22.133 -13.939 653 1HA GLY 88 HA2 GLY 88 -13.244 -22.544 -15.681 654 2HA GLY 88 HA1 GLY 88 -13.377 -21.046 -14.773 655 H THR 89 HN THR 89 -11.193 -22.413 -14.359 656 HA THR 89 HA THR 89 -11.483 -23.338 -11.605 657 HB THR 89 HB THR 89 -9.967 -24.939 -13.695 658 HG1 THR 89 HG1 THR 89 -12.570 -25.022 -12.885 659 1HG2 THR 89 HG21 THR 89 -9.711 -26.597 -11.879 660 2HG2 THR 89 HG22 THR 89 -10.463 -25.463 -10.757 661 3HG2 THR 89 HG23 THR 89 -8.915 -25.069 -11.504 662 H VAL 90 HN VAL 90 -9.761 -22.739 -10.350 663 HA VAL 90 HA VAL 90 -7.283 -21.914 -11.659 664 HB VAL 90 HB VAL 90 -8.570 -19.838 -11.401 665 1HG1 VAL 90 HG11 VAL 90 -9.978 -20.476 -9.512 666 2HG1 VAL 90 HG12 VAL 90 -9.145 -18.952 -9.204 667 3HG1 VAL 90 HG13 VAL 90 -8.575 -20.439 -8.443 668 1HG2 VAL 90 HG21 VAL 90 -6.889 -18.537 -10.176 669 2HG2 VAL 90 HG22 VAL 90 -6.138 -19.745 -11.218 670 3HG2 VAL 90 HG23 VAL 90 -6.243 -20.024 -9.479 671 H GLU 91 HN GLU 91 -5.505 -22.408 -10.527 672 HA GLU 91 HA GLU 91 -5.901 -23.847 -7.986 673 1HB GLU 91 HB2 GLU 91 -5.142 -25.151 -10.014 674 2HB GLU 91 HB1 GLU 91 -3.665 -24.199 -9.997 675 1HG GLU 91 HG2 GLU 91 -3.081 -25.081 -7.820 676 2HG GLU 91 HG1 GLU 91 -4.606 -25.966 -7.745 677 H PHE 92 HN PHE 92 -4.730 -23.223 -6.225 678 HA PHE 92 HA PHE 92 -2.519 -21.368 -6.489 679 1HB PHE 92 HB2 PHE 92 -3.595 -19.605 -5.121 680 2HB PHE 92 HB1 PHE 92 -4.397 -19.834 -6.670 681 HD1 PHE 92 HD2 PHE 92 -6.605 -20.944 -6.777 682 HD2 PHE 92 HD1 PHE 92 -4.734 -20.037 -3.056 683 HE1 PHE 92 HE2 PHE 92 -8.757 -21.239 -5.625 684 HE2 PHE 92 HE1 PHE 92 -6.886 -20.335 -1.902 685 HZ PHE 92 HZ PHE 92 -8.900 -20.935 -3.185 686 H ILE 93 HN ILE 93 -1.931 -20.546 -4.203 687 HA ILE 93 HA ILE 93 -2.292 -22.666 -2.189 688 HB ILE 93 HB ILE 93 0.283 -21.230 -2.908 689 1HG1 ILE 93 HG12 ILE 93 -0.360 -24.192 -2.913 690 2HG1 ILE 93 HG11 ILE 93 -0.353 -23.181 -4.350 691 1HG2 ILE 93 HG21 ILE 93 -0.266 -23.125 -0.621 692 2HG2 ILE 93 HG22 ILE 93 0.101 -21.405 -0.492 693 3HG2 ILE 93 HG23 ILE 93 1.325 -22.525 -1.089 694 1HD1 ILE 93 HD11 ILE 93 2.006 -23.773 -2.579 695 2HD1 ILE 93 HD12 ILE 93 2.029 -22.722 -3.996 696 3HD1 ILE 93 HD13 ILE 93 1.695 -24.443 -4.181 697 H ALA 94 HN ALA 94 -3.253 -21.805 -0.456 698 HA ALA 94 HA ALA 94 -2.941 -18.940 0.116 699 1HB ALA 94 HB1 ALA 94 -4.840 -19.241 1.646 700 2HB ALA 94 HB2 ALA 94 -4.864 -20.966 1.278 701 3HB ALA 94 HB3 ALA 94 -5.229 -19.791 0.016 702 H ARG 95 HN ARG 95 -1.276 -18.452 1.422 703 HA ARG 95 HA ARG 95 -0.427 -20.400 3.444 704 1HB ARG 95 HB2 ARG 95 1.277 -19.435 1.878 705 2HB ARG 95 HB1 ARG 95 0.982 -17.855 2.593 706 1HG ARG 95 HG2 ARG 95 1.548 -19.809 4.651 707 2HG ARG 95 HG1 ARG 95 2.824 -19.799 3.436 708 1HD ARG 95 HD2 ARG 95 1.792 -17.325 4.825 709 2HD ARG 95 HD1 ARG 95 3.196 -18.246 5.364 710 HE ARG 95 HE ARG 95 3.033 -16.917 2.729 711 1HH1 ARG 95 HH11 ARG 95 4.810 -17.757 5.638 712 2HH1 ARG 95 HH12 ARG 95 6.303 -17.089 5.058 713 1HH2 ARG 95 HH21 ARG 95 5.009 -15.987 2.003 714 2HH2 ARG 95 HH22 ARG 95 6.412 -16.079 3.021 715 H PHE 96 HN PHE 96 -1.400 -20.212 5.307 716 HA PHE 96 HA PHE 96 -1.744 -17.554 6.526 717 1HB PHE 96 HB2 PHE 96 -3.836 -18.680 7.631 718 2HB PHE 96 HB1 PHE 96 -3.966 -18.048 5.994 719 HD1 PHE 96 HD1 PHE 96 -2.988 -21.250 7.688 720 HD2 PHE 96 HD2 PHE 96 -5.041 -19.377 4.456 721 HE1 PHE 96 HE1 PHE 96 -3.726 -23.452 6.882 722 HE2 PHE 96 HE2 PHE 96 -5.786 -21.579 3.653 723 HZ PHE 96 HZ PHE 96 -5.130 -23.619 4.865 724 H ARG 97 HN ARG 97 -1.863 -17.671 8.927 725 HA ARG 97 HA ARG 97 -0.107 -19.793 9.924 726 1HB ARG 97 HB2 ARG 97 0.482 -17.389 10.348 727 2HB ARG 97 HB1 ARG 97 -0.962 -17.260 11.345 728 1HG ARG 97 HG2 ARG 97 -0.102 -18.870 12.910 729 2HG ARG 97 HG1 ARG 97 1.277 -19.213 11.863 730 1HD ARG 97 HD2 ARG 97 0.686 -16.623 13.298 731 2HD ARG 97 HD1 ARG 97 1.978 -17.766 13.665 732 HE ARG 97 HE ARG 97 1.850 -15.930 11.384 733 1HH1 ARG 97 HH11 ARG 97 3.630 -18.373 13.161 734 2HH1 ARG 97 HH12 ARG 97 5.145 -17.991 12.407 735 1HH2 ARG 97 HH21 ARG 97 3.848 -15.450 10.386 736 2HH2 ARG 97 HH22 ARG 97 5.266 -16.347 10.821 737 H ARG 98 HN ARG 98 -0.934 -21.440 10.989 738 HA ARG 98 HA ARG 98 -3.743 -21.631 11.459 739 1HB ARG 98 HB2 ARG 98 -2.276 -23.537 10.750 740 2HB ARG 98 HB1 ARG 98 -1.547 -23.519 12.351 741 1HG ARG 98 HG2 ARG 98 -3.827 -23.947 13.304 742 2HG ARG 98 HG1 ARG 98 -4.410 -24.161 11.651 743 1HD ARG 98 HD2 ARG 98 -3.929 -26.323 12.611 744 2HD ARG 98 HD1 ARG 98 -2.746 -25.977 11.346 745 HE ARG 98 HE ARG 98 -1.872 -25.198 13.973 746 1HH1 ARG 98 HH11 ARG 98 -2.074 -27.884 11.733 747 2HH1 ARG 98 HH12 ARG 98 -0.748 -28.741 12.450 748 1HH2 ARG 98 HH21 ARG 98 -0.150 -26.319 14.922 749 2HH2 ARG 98 HH22 ARG 98 0.353 -27.849 14.276 750 H GLY 99 HN GLY 99 -4.805 -20.990 13.198 751 1HA GLY 99 HA2 GLY 99 -5.362 -20.558 15.379 752 2HA GLY 99 HA1 GLY 99 -3.960 -21.503 15.859 753 H GLY 100 HN GLY 100 -1.868 -20.430 15.821 754 1HA GLY 100 HA2 GLY 100 -1.496 -17.676 15.455 755 2HA GLY 100 HA1 GLY 100 -1.900 -17.947 17.146 756 H GLY 101 HN GLY 101 -0.071 -20.096 15.024 757 1HA GLY 101 HA2 GLY 101 2.430 -19.375 16.354 758 2HA GLY 101 HA1 GLY 101 1.839 -21.009 16.613 759 HA PRO 102 HA PRO 102 3.865 -22.142 12.870 760 1HB PRO 102 HB2 PRO 102 2.566 -24.378 12.165 761 2HB PRO 102 HB1 PRO 102 3.503 -24.297 13.662 762 1HG PRO 102 HG2 PRO 102 0.540 -24.044 13.270 763 2HG PRO 102 HG1 PRO 102 1.429 -24.953 14.507 764 1HD PRO 102 HD2 PRO 102 0.337 -22.463 14.924 765 2HD PRO 102 HD1 PRO 102 1.729 -23.097 15.826 766 H GLU 103 HN GLU 103 3.799 -21.755 10.699 767 HA GLU 103 HA GLU 103 1.404 -20.659 9.524 768 1HB GLU 103 HB2 GLU 103 4.079 -21.325 8.265 769 2HB GLU 103 HB1 GLU 103 2.780 -20.446 7.472 770 1HG GLU 103 HG2 GLU 103 2.994 -18.640 9.095 771 2HG GLU 103 HG1 GLU 103 4.272 -19.526 9.926 772 H GLN 104 HN GLN 104 0.678 -21.481 7.368 773 HA GLN 104 HA GLN 104 1.180 -24.231 6.707 774 1HB GLN 104 HB2 GLN 104 -0.545 -24.361 8.541 775 2HB GLN 104 HB1 GLN 104 -1.630 -23.431 7.516 776 1HG GLN 104 HG2 GLN 104 -1.528 -25.219 5.824 777 2HG GLN 104 HG1 GLN 104 -0.493 -26.156 6.902 778 1HE2 GLN 104 HE21 GLN 104 -1.386 -27.014 8.815 779 2HE2 GLN 104 HE22 GLN 104 -3.096 -27.213 8.997 780 H SER 105 HN SER 105 0.613 -24.647 4.590 781 HA SER 105 HA SER 105 -0.611 -22.425 3.097 782 1HB SER 105 HB2 SER 105 1.006 -22.976 1.237 783 2HB SER 105 HB1 SER 105 1.757 -22.288 2.675 784 HG SER 105 HG SER 105 1.867 -24.902 1.670 785 H HIS 106 HN HIS 106 -2.456 -23.113 2.272 786 HA HIS 106 HA HIS 106 -2.852 -25.960 1.768 787 1HB HIS 106 HB2 HIS 106 -4.551 -24.611 3.043 788 2HB HIS 106 HB1 HIS 106 -4.876 -23.711 1.566 789 HD1 HIS 106 HD1 HIS 106 -7.083 -24.501 0.725 790 HD2 HIS 106 HD2 HIS 106 -4.740 -27.639 2.119 791 HE1 HIS 106 HE1 HIS 106 -8.426 -26.583 0.316 792 HE2 HIS 106 HE2 HIS 106 -7.073 -28.436 1.351 793 H HIS 107 HN HIS 107 -2.004 -26.545 -0.130 794 HA HIS 107 HA HIS 107 -2.301 -24.906 -2.512 795 1HB HIS 107 HB2 HIS 107 -0.219 -26.129 -2.246 796 2HB HIS 107 HB1 HIS 107 -1.082 -27.644 -2.053 797 HD1 HIS 107 HD1 HIS 107 0.515 -28.436 -4.044 798 HD2 HIS 107 HD2 HIS 107 -2.360 -25.606 -5.054 799 HE1 HIS 107 HE1 HIS 107 0.363 -28.490 -6.553 800 HE2 HIS 107 HE2 HIS 107 -1.438 -26.837 -7.139 801 H GLU 108 HN GLU 108 -4.357 -24.827 -3.220 802 HA GLU 108 HA GLU 108 -5.795 -27.379 -3.536 803 1HB GLU 108 HB2 GLU 108 -7.880 -26.267 -2.941 804 2HB GLU 108 HB1 GLU 108 -6.716 -26.134 -1.630 805 1HG GLU 108 HG2 GLU 108 -6.220 -23.841 -2.269 806 2HG GLU 108 HG1 GLU 108 -7.330 -23.966 -3.634 807 H ARG 109 HN ARG 109 -7.696 -27.106 -5.000 808 HA ARG 109 HA ARG 109 -7.146 -25.307 -7.258 809 1HB ARG 109 HB2 ARG 109 -6.260 -27.575 -7.741 810 2HB ARG 109 HB1 ARG 109 -7.847 -28.257 -7.420 811 1HG ARG 109 HG2 ARG 109 -8.773 -27.128 -9.339 812 2HG ARG 109 HG1 ARG 109 -7.246 -26.288 -9.621 813 1HD ARG 109 HD2 ARG 109 -6.136 -28.439 -10.026 814 2HD ARG 109 HD1 ARG 109 -7.661 -29.279 -9.738 815 HE ARG 109 HE ARG 109 -8.487 -28.460 -11.777 816 1HH1 ARG 109 HH11 ARG 109 -5.159 -27.494 -11.208 817 2HH1 ARG 109 HH12 ARG 109 -4.882 -27.064 -12.869 818 1HH2 ARG 109 HH21 ARG 109 -8.109 -27.889 -13.948 819 2HH2 ARG 109 HH22 ARG 109 -6.554 -27.272 -14.416 820 H SER 110 HN SER 110 -8.858 -23.969 -7.122 821 HA SER 110 HA SER 110 -11.445 -25.065 -6.257 822 1HB SER 110 HB2 SER 110 -10.475 -23.206 -4.921 823 2HB SER 110 HB1 SER 110 -10.514 -22.177 -6.352 824 HG SER 110 HG SER 110 -12.896 -23.429 -5.609 825 H GLN 111 HN GLN 111 -13.184 -25.053 -7.548 826 HA GLN 111 HA GLN 111 -12.925 -23.931 -10.241 827 1HB GLN 111 HB2 GLN 111 -14.967 -25.841 -9.074 828 2HB GLN 111 HB1 GLN 111 -15.019 -25.221 -10.716 829 1HG GLN 111 HG2 GLN 111 -14.082 -27.344 -10.921 830 2HG GLN 111 HG1 GLN 111 -12.707 -26.248 -11.013 831 1HE2 GLN 111 HE21 GLN 111 -11.218 -26.216 -9.326 832 2HE2 GLN 111 HE22 GLN 111 -11.160 -27.450 -8.117 833 H PHE 112 HN PHE 112 -14.226 -22.344 -10.994 834 HA PHE 112 HA PHE 112 -16.131 -21.118 -9.098 835 1HB PHE 112 HB2 PHE 112 -14.146 -19.762 -10.946 836 2HB PHE 112 HB1 PHE 112 -15.477 -18.914 -10.168 837 HD1 PHE 112 HD1 PHE 112 -12.422 -20.911 -9.462 838 HD2 PHE 112 HD2 PHE 112 -15.253 -18.089 -7.988 839 HE1 PHE 112 HE1 PHE 112 -11.022 -20.544 -7.475 840 HE2 PHE 112 HE2 PHE 112 -13.854 -17.718 -6.000 841 HZ PHE 112 HZ PHE 112 -11.735 -18.948 -5.741 842 H ARG 113 HN ARG 113 -17.949 -20.152 -10.016 843 HA ARG 113 HA ARG 113 -18.609 -21.001 -12.755 844 1HB ARG 113 HB2 ARG 113 -20.011 -22.072 -11.137 845 2HB ARG 113 HB1 ARG 113 -20.307 -20.559 -10.297 846 1HG ARG 113 HG2 ARG 113 -21.716 -19.764 -12.037 847 2HG ARG 113 HG1 ARG 113 -21.237 -21.079 -13.120 848 1HD ARG 113 HD2 ARG 113 -22.300 -22.705 -11.680 849 2HD ARG 113 HD1 ARG 113 -22.638 -21.474 -10.468 850 HE ARG 113 HE ARG 113 -23.851 -21.102 -13.091 851 1HH1 ARG 113 HH11 ARG 113 -24.184 -22.140 -9.760 852 2HH1 ARG 113 HH12 ARG 113 -25.919 -22.163 -9.805 853 1HH2 ARG 113 HH21 ARG 113 -26.162 -21.086 -13.135 854 2HH2 ARG 113 HH22 ARG 113 -27.041 -21.551 -11.710 855 H LYS 114 HN LYS 114 -18.987 -19.469 -14.218 856 HA LYS 114 HA LYS 114 -18.818 -16.681 -13.382 857 1HB LYS 114 HB2 LYS 114 -17.412 -17.701 -15.243 858 2HB LYS 114 HB1 LYS 114 -18.889 -17.743 -16.201 859 1HG LYS 114 HG2 LYS 114 -19.096 -15.331 -16.044 860 2HG LYS 114 HG1 LYS 114 -17.695 -15.259 -14.975 861 1HD LYS 114 HD2 LYS 114 -16.380 -16.322 -16.889 862 2HD LYS 114 HD1 LYS 114 -17.775 -15.952 -17.907 863 1HE LYS 114 HE2 LYS 114 -17.574 -13.579 -17.254 864 2HE LYS 114 HE1 LYS 114 -16.136 -13.973 -16.319 865 1HZ LYS 114 HZ1 LYS 114 -15.026 -14.672 -18.334 866 2HZ LYS 114 HZ2 LYS 114 -15.597 -13.087 -18.522 867 3HZ LYS 114 HZ3 LYS 114 -16.416 -14.372 -19.250 868 H ALA 115 HN ALA 115 -20.671 -15.725 -12.895 869 HA ALA 115 HA ALA 115 -23.025 -16.201 -14.610 870 1HB ALA 115 HB1 ALA 115 -23.011 -15.604 -11.644 871 2HB ALA 115 HB2 ALA 115 -23.349 -17.171 -12.381 872 3HB ALA 115 HB3 ALA 115 -24.442 -15.815 -12.654 873 H ARG 116 HN ARG 116 -23.477 -14.472 -15.777 874 HA ARG 116 HA ARG 116 -23.691 -12.345 -16.510 875 1HB ARG 116 HB2 ARG 116 -24.237 -11.965 -13.566 876 2HB ARG 116 HB1 ARG 116 -24.345 -10.633 -14.708 877 1HG ARG 116 HG2 ARG 116 -26.541 -11.461 -14.416 878 2HG ARG 116 HG1 ARG 116 -26.008 -12.000 -16.008 879 1HD ARG 116 HD2 ARG 116 -27.115 -13.837 -14.986 880 2HD ARG 116 HD1 ARG 116 -25.388 -14.197 -14.945 881 HE ARG 116 HE ARG 116 -25.931 -12.979 -12.541 882 1HH1 ARG 116 HH11 ARG 116 -26.975 -15.863 -14.221 883 2HH1 ARG 116 HH12 ARG 116 -27.484 -16.679 -12.780 884 1HH2 ARG 116 HH21 ARG 116 -26.532 -14.068 -10.624 885 2HH2 ARG 116 HH22 ARG 116 -27.231 -15.655 -10.726 886 H GLY 117 HN GLY 117 -21.023 -13.267 -15.928 887 1HA GLY 117 HA2 GLY 117 -19.051 -12.143 -16.554 888 2HA GLY 117 HA1 GLY 117 -19.756 -10.630 -16.012 889 H ARG 118 HN ARG 118 -20.510 -12.247 -13.433 890 HA ARG 118 HA ARG 118 -17.917 -11.746 -12.144 891 1HB ARG 118 HB2 ARG 118 -20.581 -12.276 -10.798 892 2HB ARG 118 HB1 ARG 118 -19.094 -11.771 -10.014 893 1HG ARG 118 HG2 ARG 118 -20.197 -9.779 -10.096 894 2HG ARG 118 HG1 ARG 118 -19.328 -9.699 -11.631 895 1HD ARG 118 HD2 ARG 118 -21.676 -9.035 -11.882 896 2HD ARG 118 HD1 ARG 118 -21.314 -10.492 -12.810 897 HE ARG 118 HE ARG 118 -22.242 -11.522 -10.512 898 1HH1 ARG 118 HH11 ARG 118 -23.517 -9.005 -12.586 899 2HH1 ARG 118 HH12 ARG 118 -25.172 -9.351 -12.193 900 1HH2 ARG 118 HH21 ARG 118 -24.394 -11.976 -9.983 901 2HH2 ARG 118 HH22 ARG 118 -25.675 -11.052 -10.706 902 H TRP 119 HN TRP 119 -16.871 -13.307 -10.938 903 HA TRP 119 HA TRP 119 -17.679 -16.062 -11.497 904 1HB TRP 119 HB2 TRP 119 -15.079 -14.825 -10.584 905 2HB TRP 119 HB1 TRP 119 -15.348 -16.566 -10.576 906 HD1 TRP 119 HD1 TRP 119 -14.864 -13.629 -13.005 907 HE1 TRP 119 HE1 TRP 119 -14.313 -14.595 -15.330 908 HE3 TRP 119 HE3 TRP 119 -15.710 -18.560 -12.048 909 HZ2 TRP 119 HZ2 TRP 119 -14.265 -17.113 -16.589 910 HZ3 TRP 119 HZ3 TRP 119 -15.403 -20.190 -13.864 911 HH2 TRP 119 HH2 TRP 119 -14.695 -19.480 -16.091 912 H TYR 120 HN TYR 120 -18.309 -17.442 -9.964 913 HA TYR 120 HA TYR 120 -18.288 -16.530 -7.159 914 1HB TYR 120 HB2 TYR 120 -20.444 -18.101 -8.604 915 2HB TYR 120 HB1 TYR 120 -20.440 -17.743 -6.881 916 HD1 TYR 120 HD2 TYR 120 -20.773 -16.272 -10.253 917 HD2 TYR 120 HD1 TYR 120 -21.095 -15.574 -6.062 918 HE1 TYR 120 HE2 TYR 120 -21.931 -14.150 -10.699 919 HE2 TYR 120 HE1 TYR 120 -22.254 -13.450 -6.502 920 HH TYR 120 HH TYR 120 -22.593 -11.848 -8.180 921 H PHE 121 HN PHE 121 -17.722 -18.021 -5.631 922 HA PHE 121 HA PHE 121 -16.118 -20.209 -6.441 923 1HB PHE 121 HB2 PHE 121 -15.487 -19.189 -4.431 924 2HB PHE 121 HB1 PHE 121 -17.125 -19.211 -3.784 925 HD1 PHE 121 HD1 PHE 121 -14.209 -21.352 -4.601 926 HD2 PHE 121 HD2 PHE 121 -17.886 -21.022 -2.473 927 HE1 PHE 121 HE1 PHE 121 -13.705 -23.436 -3.406 928 HE2 PHE 121 HE2 PHE 121 -17.385 -23.108 -1.274 929 HZ PHE 121 HZ PHE 121 -15.287 -24.317 -1.734 930 H SER 122 HN SER 122 -16.810 -22.104 -7.169 931 HA SER 122 HA SER 122 -19.480 -23.059 -6.488 932 1HB SER 122 HB2 SER 122 -17.418 -24.176 -8.415 933 2HB SER 122 HB1 SER 122 -19.073 -24.758 -8.232 934 HG SER 122 HG SER 122 -19.665 -22.479 -8.743 935 H GLU 123 HN GLU 123 -16.141 -24.335 -6.462 936 HA GLU 123 HA GLU 123 -16.470 -25.541 -3.907 937 1HB GLU 123 HB2 GLU 123 -16.187 -27.917 -4.692 938 2HB GLU 123 HB1 GLU 123 -17.759 -27.208 -5.034 939 1HG GLU 123 HG2 GLU 123 -16.896 -26.708 -7.357 940 2HG GLU 123 HG1 GLU 123 -15.504 -27.717 -6.960 941 H GLY 124 HN GLY 124 -14.526 -26.831 -3.291 942 1HA GLY 124 HA2 GLY 124 -12.141 -26.272 -4.892 943 2HA GLY 124 HA1 GLY 124 -12.232 -25.536 -3.295 944 H GLU 125 HN GLU 125 -10.503 -27.697 -4.549 945 HA GLU 125 HA GLU 125 -10.710 -29.625 -2.356 946 1HB GLU 125 HB2 GLU 125 -10.520 -31.521 -3.917 947 2HB GLU 125 HB1 GLU 125 -11.996 -30.605 -4.199 948 1HG GLU 125 HG2 GLU 125 -10.787 -29.411 -6.052 949 2HG GLU 125 HG1 GLU 125 -9.469 -30.562 -5.840 950 H ALA 126 HN ALA 126 -8.749 -30.961 -2.171 951 HA ALA 126 HA ALA 126 -6.360 -29.446 -2.753 952 1HB ALA 126 HB1 ALA 126 -5.198 -31.221 -1.516 953 2HB ALA 126 HB2 ALA 126 -6.692 -32.157 -1.449 954 3HB ALA 126 HB3 ALA 126 -6.582 -30.609 -0.610 955 H VAL 127 HN VAL 127 -5.365 -29.585 -4.646 956 HA VAL 127 HA VAL 127 -6.083 -31.482 -6.625 957 HB VAL 127 HB VAL 127 -5.377 -29.235 -7.244 958 1HG1 VAL 127 HG11 VAL 127 -3.043 -28.517 -7.076 959 2HG1 VAL 127 HG12 VAL 127 -2.641 -30.008 -6.223 960 3HG1 VAL 127 HG13 VAL 127 -3.734 -28.836 -5.485 961 1HG2 VAL 127 HG21 VAL 127 -5.096 -31.004 -8.898 962 2HG2 VAL 127 HG22 VAL 127 -3.476 -31.342 -8.287 963 3HG2 VAL 127 HG23 VAL 127 -3.821 -29.795 -9.061 964 H ASP 128 HN ASP 128 -5.136 -33.336 -7.266 965 HA ASP 128 HA ASP 128 -3.158 -34.552 -5.552 966 1HB ASP 128 HB2 ASP 128 -5.001 -35.924 -6.361 967 2HB ASP 128 HB1 ASP 128 -4.570 -35.577 -8.034 Start of MODEL 11 1 1H MET 1 HT1 MET 1 -1.750 1.886 -1.022 2 2H MET 1 HT2 MET 1 -0.158 1.987 -1.579 3 3H MET 1 HT3 MET 1 -0.608 2.793 -0.164 4 HA MET 1 HA MET 1 0.642 0.800 0.343 5 1HB MET 1 HB2 MET 1 -1.131 1.566 1.899 6 2HB MET 1 HB1 MET 1 -2.306 0.582 1.039 7 1HG MET 1 HG2 MET 1 -1.017 -1.437 1.668 8 2HG MET 1 HG1 MET 1 0.069 -0.414 2.606 9 1HE MET 1 HE1 MET 1 -3.545 -1.873 2.262 10 2HE MET 1 HE2 MET 1 -3.861 -0.139 2.184 11 3HE MET 1 HE3 MET 1 -4.399 -1.070 3.580 12 H ASN 2 HN ASN 2 1.005 -1.400 0.019 13 HA ASN 2 HA ASN 2 0.017 -2.592 -2.341 14 1HB ASN 2 HB2 ASN 2 1.142 -4.653 -1.569 15 2HB ASN 2 HB1 ASN 2 2.184 -3.244 -1.424 16 1HD2 ASN 2 HD21 ASN 2 3.474 -4.311 0.083 17 2HD2 ASN 2 HD22 ASN 2 2.966 -4.556 1.717 18 H CYS 3 HN CYS 3 -0.926 -4.955 -2.159 19 HA CYS 3 HA CYS 3 -3.184 -4.915 -0.265 20 1HB CYS 3 HB2 CYS 3 -3.633 -4.156 -2.761 21 2HB CYS 3 HB1 CYS 3 -3.585 -5.893 -3.072 22 H VAL 4 HN VAL 4 -3.218 -6.768 0.859 23 HA VAL 4 HA VAL 4 -1.729 -9.058 0.278 24 HB VAL 4 HB VAL 4 -3.344 -10.241 1.847 25 1HG1 VAL 4 HG11 VAL 4 -2.096 -7.654 2.794 26 2HG1 VAL 4 HG12 VAL 4 -1.261 -9.195 2.604 27 3HG1 VAL 4 HG13 VAL 4 -2.533 -9.027 3.815 28 1HG2 VAL 4 HG21 VAL 4 -4.536 -7.463 2.019 29 2HG2 VAL 4 HG22 VAL 4 -4.920 -8.810 3.090 30 3HG2 VAL 4 HG23 VAL 4 -5.334 -8.900 1.378 31 H CYS 5 HN CYS 5 -2.028 -9.356 -1.916 32 HA CYS 5 HA CYS 5 -4.041 -11.243 -2.652 33 1HB CYS 5 HB2 CYS 5 -4.055 -8.537 -4.002 34 2HB CYS 5 HB1 CYS 5 -4.946 -9.948 -4.560 35 H GLY 6 HN GLY 6 -3.462 -12.363 -4.568 36 1HA GLY 6 HA2 GLY 6 -0.738 -12.174 -5.402 37 2HA GLY 6 HA1 GLY 6 -1.982 -13.185 -6.127 38 H SER 7 HN SER 7 -0.925 -9.801 -5.921 39 HA SER 7 HA SER 7 -0.999 -9.458 -8.749 40 1HB SER 7 HB2 SER 7 -2.736 -7.635 -8.732 41 2HB SER 7 HB1 SER 7 -3.385 -9.245 -8.434 42 HG SER 7 HG SER 7 -4.189 -7.599 -7.006 43 H GLY 8 HN GLY 8 -1.430 -7.460 -5.820 44 1HA GLY 8 HA2 GLY 8 0.540 -6.433 -4.812 45 2HA GLY 8 HA1 GLY 8 1.167 -6.181 -6.432 46 H LYS 9 HN LYS 9 -1.722 -5.399 -7.189 47 HA LYS 9 HA LYS 9 -1.313 -2.631 -7.155 48 1HB LYS 9 HB2 LYS 9 -4.007 -3.977 -7.435 49 2HB LYS 9 HB1 LYS 9 -3.535 -2.397 -8.047 50 1HG LYS 9 HG2 LYS 9 -1.723 -3.871 -9.317 51 2HG LYS 9 HG1 LYS 9 -2.960 -5.105 -9.112 52 1HD LYS 9 HD2 LYS 9 -3.329 -2.408 -10.434 53 2HD LYS 9 HD1 LYS 9 -3.212 -3.961 -11.261 54 1HE LYS 9 HE2 LYS 9 -5.282 -4.699 -10.260 55 2HE LYS 9 HE1 LYS 9 -5.368 -3.241 -9.272 56 1HZ LYS 9 HZ1 LYS 9 -6.817 -3.036 -11.159 57 2HZ LYS 9 HZ2 LYS 9 -5.557 -3.369 -12.232 58 3HZ LYS 9 HZ3 LYS 9 -5.541 -1.943 -11.329 59 H THR 10 HN THR 10 -2.773 -0.996 -6.189 60 HA THR 10 HA THR 10 -2.541 -1.130 -3.384 61 HB THR 10 HB THR 10 -3.625 1.047 -3.332 62 HG1 THR 10 HG1 THR 10 -4.182 1.656 -5.780 63 1HG2 THR 10 HG21 THR 10 -1.855 0.785 -5.770 64 2HG2 THR 10 HG22 THR 10 -1.296 0.978 -4.108 65 3HG2 THR 10 HG23 THR 10 -2.193 2.277 -4.893 66 H TYR 11 HN TYR 11 -4.532 -0.302 -2.018 67 HA TYR 11 HA TYR 11 -6.371 -2.368 -1.738 68 1HB TYR 11 HB2 TYR 11 -5.939 -0.835 0.084 69 2HB TYR 11 HB1 TYR 11 -6.541 0.525 -0.857 70 HD1 TYR 11 HD2 TYR 11 -7.633 -2.719 0.640 71 HD2 TYR 11 HD1 TYR 11 -8.791 1.165 -0.676 72 HE1 TYR 11 HE2 TYR 11 -9.882 -3.078 1.566 73 HE2 TYR 11 HE1 TYR 11 -11.042 0.812 0.246 74 HH TYR 11 HH TYR 11 -11.788 -1.579 2.415 75 H ASP 12 HN ASP 12 -6.967 0.882 -3.082 76 HA ASP 12 HA ASP 12 -9.593 0.268 -3.971 77 1HB ASP 12 HB2 ASP 12 -8.923 2.570 -3.490 78 2HB ASP 12 HB1 ASP 12 -7.738 2.519 -4.792 79 H ASP 13 HN ASP 13 -6.520 0.680 -5.743 80 HA ASP 13 HA ASP 13 -7.512 0.250 -8.309 81 1HB ASP 13 HB2 ASP 13 -4.790 -0.184 -7.096 82 2HB ASP 13 HB1 ASP 13 -5.098 -0.604 -8.778 83 H CYS 14 HN CYS 14 -6.729 -2.040 -5.808 84 HA CYS 14 HA CYS 14 -7.183 -4.264 -7.659 85 1HB CYS 14 HB2 CYS 14 -5.260 -4.693 -6.408 86 2HB CYS 14 HB1 CYS 14 -5.967 -4.096 -4.918 87 H CYS 15 HN CYS 15 -8.117 -3.918 -4.209 88 HA CYS 15 HA CYS 15 -10.392 -5.616 -4.689 89 1HB CYS 15 HB2 CYS 15 -9.280 -4.279 -2.236 90 2HB CYS 15 HB1 CYS 15 -10.840 -5.094 -2.201 91 H GLY 16 HN GLY 16 -9.928 -2.220 -4.763 92 1HA GLY 16 HA2 GLY 16 -12.143 -1.192 -3.491 93 2HA GLY 16 HA1 GLY 16 -11.364 -0.439 -4.867 94 HA PRO 17 HA PRO 17 -14.794 -1.194 -7.485 95 1HB PRO 17 HB2 PRO 17 -14.060 -2.824 -9.563 96 2HB PRO 17 HB1 PRO 17 -13.578 -1.131 -9.421 97 1HG PRO 17 HG2 PRO 17 -12.029 -3.602 -8.779 98 2HG PRO 17 HG1 PRO 17 -11.478 -2.096 -9.530 99 1HD PRO 17 HD2 PRO 17 -11.037 -2.706 -6.911 100 2HD PRO 17 HD1 PRO 17 -11.203 -1.042 -7.503 101 H LEU 18 HN LEU 18 -13.258 -4.222 -6.594 102 HA LEU 18 HA LEU 18 -15.470 -5.900 -7.259 103 1HB LEU 18 HB2 LEU 18 -13.047 -6.340 -5.503 104 2HB LEU 18 HB1 LEU 18 -14.259 -7.575 -5.775 105 HG LEU 18 HG LEU 18 -12.427 -8.050 -7.221 106 1HD1 LEU 18 HD11 LEU 18 -14.643 -8.379 -8.191 107 2HD1 LEU 18 HD12 LEU 18 -13.448 -7.965 -9.419 108 3HD1 LEU 18 HD13 LEU 18 -14.596 -6.748 -8.863 109 1HD2 LEU 18 HD21 LEU 18 -11.547 -6.467 -8.859 110 2HD2 LEU 18 HD22 LEU 18 -11.347 -5.865 -7.214 111 3HD2 LEU 18 HD23 LEU 18 -12.626 -5.217 -8.239 112 H LEU 19 HN LEU 19 -14.194 -4.637 -4.197 113 HA LEU 19 HA LEU 19 -16.224 -5.777 -2.576 114 1HB LEU 19 HB2 LEU 19 -14.206 -3.584 -2.110 115 2HB LEU 19 HB1 LEU 19 -15.339 -4.086 -0.867 116 HG LEU 19 HG LEU 19 -13.395 -5.996 -2.179 117 1HD1 LEU 19 HD11 LEU 19 -12.148 -4.212 -1.042 118 2HD1 LEU 19 HD12 LEU 19 -11.985 -5.760 -0.215 119 3HD1 LEU 19 HD13 LEU 19 -13.062 -4.522 0.436 120 1HD2 LEU 19 HD21 LEU 19 -15.334 -7.035 -1.127 121 2HD2 LEU 19 HD22 LEU 19 -14.986 -6.181 0.377 122 3HD2 LEU 19 HD23 LEU 19 -13.855 -7.389 -0.236 123 H ALA 20 HN ALA 20 -15.969 -2.805 -4.368 124 HA ALA 20 HA ALA 20 -18.260 -1.578 -3.083 125 1HB ALA 20 HB1 ALA 20 -17.933 0.230 -4.688 126 2HB ALA 20 HB2 ALA 20 -16.738 -0.737 -5.555 127 3HB ALA 20 HB3 ALA 20 -16.409 -0.196 -3.908 128 H ARG 21 HN ARG 21 -17.902 -4.013 -5.292 129 HA ARG 21 HA ARG 21 -19.254 -5.093 -6.748 130 1HB ARG 21 HB2 ARG 21 -21.317 -3.407 -5.345 131 2HB ARG 21 HB1 ARG 21 -21.761 -4.458 -6.678 132 1HG ARG 21 HG2 ARG 21 -22.230 -5.716 -4.785 133 2HG ARG 21 HG1 ARG 21 -20.677 -6.343 -5.330 134 1HD ARG 21 HD2 ARG 21 -19.513 -5.313 -3.581 135 2HD ARG 21 HD1 ARG 21 -20.831 -4.186 -3.244 136 HE ARG 21 HE ARG 21 -21.917 -6.647 -2.781 137 1HH1 ARG 21 HH11 ARG 21 -19.114 -4.953 -1.529 138 2HH1 ARG 21 HH12 ARG 21 -19.194 -5.725 0.022 139 1HH2 ARG 21 HH21 ARG 21 -22.048 -7.624 -0.747 140 2HH2 ARG 21 HH22 ARG 21 -20.880 -7.238 0.482 141 H THR 22 HN THR 22 -18.365 -2.010 -7.201 142 HA THR 22 HA THR 22 -20.162 -1.135 -9.233 143 HB THR 22 HB THR 22 -18.815 0.477 -7.949 144 HG1 THR 22 HG1 THR 22 -19.531 0.850 -10.215 145 1HG2 THR 22 HG21 THR 22 -16.738 -0.815 -7.751 146 2HG2 THR 22 HG22 THR 22 -16.434 0.785 -8.428 147 3HG2 THR 22 HG23 THR 22 -16.454 -0.629 -9.483 148 H ARG 23 HN ARG 23 -17.587 -3.358 -9.175 149 HA ARG 23 HA ARG 23 -17.965 -3.882 -11.998 150 1HB ARG 23 HB2 ARG 23 -16.123 -2.293 -12.095 151 2HB ARG 23 HB1 ARG 23 -15.239 -3.195 -10.868 152 1HG ARG 23 HG2 ARG 23 -15.080 -5.108 -12.402 153 2HG ARG 23 HG1 ARG 23 -15.935 -4.179 -13.635 154 1HD ARG 23 HD2 ARG 23 -14.122 -2.531 -13.648 155 2HD ARG 23 HD1 ARG 23 -13.273 -3.453 -12.403 156 HE ARG 23 HE ARG 23 -13.922 -4.887 -14.847 157 1HH1 ARG 23 HH11 ARG 23 -11.493 -3.078 -13.075 158 2HH1 ARG 23 HH12 ARG 23 -10.169 -3.757 -13.970 159 1HH2 ARG 23 HH21 ARG 23 -12.203 -5.743 -16.031 160 2HH2 ARG 23 HH22 ARG 23 -10.574 -5.258 -15.671 161 H SER 24 HN SER 24 -18.027 -6.015 -12.313 162 HA SER 24 HA SER 24 -17.081 -7.808 -10.223 163 1HB SER 24 HB2 SER 24 -18.112 -9.582 -11.707 164 2HB SER 24 HB1 SER 24 -19.238 -8.361 -11.118 165 HG SER 24 HG SER 24 -18.173 -7.551 -13.448 166 H ALA 25 HN ALA 25 -15.484 -9.363 -10.526 167 HA ALA 25 HA ALA 25 -13.221 -8.520 -11.922 168 1HB ALA 25 HB1 ALA 25 -12.236 -10.663 -11.275 169 2HB ALA 25 HB2 ALA 25 -13.834 -11.269 -10.839 170 3HB ALA 25 HB3 ALA 25 -13.122 -9.931 -9.937 171 H ALA 26 HN ALA 26 -15.760 -10.748 -12.859 172 HA ALA 26 HA ALA 26 -16.279 -11.801 -14.804 173 1HB ALA 26 HB1 ALA 26 -15.645 -10.698 -16.894 174 2HB ALA 26 HB2 ALA 26 -14.463 -9.718 -16.026 175 3HB ALA 26 HB3 ALA 26 -16.184 -9.524 -15.694 176 H SER 27 HN SER 27 -13.639 -12.390 -13.305 177 HA SER 27 HA SER 27 -12.649 -14.367 -15.190 178 1HB SER 27 HB2 SER 27 -11.234 -12.411 -15.678 179 2HB SER 27 HB1 SER 27 -10.836 -12.254 -13.969 180 HG SER 27 HG SER 27 -9.685 -13.798 -15.839 181 HA PRO 28 HA PRO 28 -12.751 -16.710 -11.446 182 1HB PRO 28 HB2 PRO 28 -10.888 -18.653 -12.071 183 2HB PRO 28 HB1 PRO 28 -12.561 -18.656 -12.638 184 1HG PRO 28 HG2 PRO 28 -10.083 -17.746 -14.054 185 2HG PRO 28 HG1 PRO 28 -11.457 -18.674 -14.685 186 1HD PRO 28 HD2 PRO 28 -11.196 -16.042 -15.170 187 2HD PRO 28 HD1 PRO 28 -12.790 -16.783 -14.915 188 H GLU 29 HN GLU 29 -9.474 -16.193 -12.742 189 HA GLU 29 HA GLU 29 -8.120 -16.429 -10.273 190 1HB GLU 29 HB2 GLU 29 -6.243 -15.284 -11.482 191 2HB GLU 29 HB1 GLU 29 -6.894 -16.681 -12.332 192 1HG GLU 29 HG2 GLU 29 -8.116 -15.277 -13.841 193 2HG GLU 29 HG1 GLU 29 -7.683 -13.836 -12.925 194 H ALA 30 HN ALA 30 -9.354 -13.646 -12.075 195 HA ALA 30 HA ALA 30 -8.308 -11.637 -10.403 196 1HB ALA 30 HB1 ALA 30 -10.740 -11.534 -12.192 197 2HB ALA 30 HB2 ALA 30 -9.080 -11.193 -12.680 198 3HB ALA 30 HB3 ALA 30 -9.891 -10.142 -11.518 199 H LEU 31 HN LEU 31 -11.352 -13.406 -10.378 200 HA LEU 31 HA LEU 31 -12.569 -11.891 -8.301 201 1HB LEU 31 HB2 LEU 31 -13.754 -13.316 -9.994 202 2HB LEU 31 HB1 LEU 31 -13.158 -14.735 -9.163 203 HG LEU 31 HG LEU 31 -15.568 -14.057 -8.722 204 1HD1 LEU 31 HD11 LEU 31 -15.502 -14.647 -6.363 205 2HD1 LEU 31 HD12 LEU 31 -13.765 -14.343 -6.322 206 3HD1 LEU 31 HD13 LEU 31 -14.408 -15.660 -7.304 207 1HD2 LEU 31 HD21 LEU 31 -15.963 -12.307 -7.072 208 2HD2 LEU 31 HD22 LEU 31 -15.208 -11.652 -8.523 209 3HD2 LEU 31 HD23 LEU 31 -14.245 -11.908 -7.067 210 H MET 32 HN MET 32 -10.587 -14.795 -8.417 211 HA MET 32 HA MET 32 -10.982 -15.622 -5.761 212 1HB MET 32 HB2 MET 32 -10.058 -17.112 -7.467 213 2HB MET 32 HB1 MET 32 -8.614 -16.115 -7.582 214 1HG MET 32 HG2 MET 32 -9.474 -17.540 -5.070 215 2HG MET 32 HG1 MET 32 -8.344 -18.207 -6.248 216 1HE MET 32 HE1 MET 32 -8.063 -17.462 -2.977 217 2HE MET 32 HE2 MET 32 -6.362 -17.004 -2.927 218 3HE MET 32 HE3 MET 32 -6.864 -18.432 -3.830 219 H ARG 33 HN ARG 33 -8.336 -13.636 -7.175 220 HA ARG 33 HA ARG 33 -7.014 -13.521 -4.637 221 1HB ARG 33 HB2 ARG 33 -5.225 -12.587 -5.676 222 2HB ARG 33 HB1 ARG 33 -6.002 -13.305 -7.072 223 1HG ARG 33 HG2 ARG 33 -6.313 -10.412 -6.277 224 2HG ARG 33 HG1 ARG 33 -5.099 -11.003 -7.407 225 1HD ARG 33 HD2 ARG 33 -7.148 -12.025 -8.655 226 2HD ARG 33 HD1 ARG 33 -8.072 -10.841 -7.725 227 HE ARG 33 HE ARG 33 -5.798 -10.053 -9.438 228 1HH1 ARG 33 HH11 ARG 33 -9.163 -9.689 -8.498 229 2HH1 ARG 33 HH12 ARG 33 -9.412 -8.301 -9.507 230 1HH2 ARG 33 HH21 ARG 33 -6.151 -8.259 -10.782 231 2HH2 ARG 33 HH22 ARG 33 -7.715 -7.507 -10.826 232 H SER 34 HN SER 34 -9.421 -11.582 -6.170 233 HA SER 34 HA SER 34 -9.167 -9.351 -4.356 234 1HB SER 34 HB2 SER 34 -11.513 -8.834 -5.223 235 2HB SER 34 HB1 SER 34 -10.240 -8.892 -6.441 236 HG SER 34 HG SER 34 -12.289 -10.753 -5.921 237 H ARG 35 HN ARG 35 -10.951 -12.362 -4.514 238 HA ARG 35 HA ARG 35 -12.704 -11.896 -2.337 239 1HB ARG 35 HB2 ARG 35 -12.890 -13.646 -4.203 240 2HB ARG 35 HB1 ARG 35 -11.726 -14.596 -3.293 241 1HG ARG 35 HG2 ARG 35 -13.276 -14.645 -1.386 242 2HG ARG 35 HG1 ARG 35 -14.446 -13.720 -2.329 243 1HD ARG 35 HD2 ARG 35 -14.372 -15.575 -4.036 244 2HD ARG 35 HD1 ARG 35 -13.425 -16.507 -2.875 245 HE ARG 35 HE ARG 35 -16.155 -15.521 -2.314 246 1HH1 ARG 35 HH11 ARG 35 -13.741 -18.074 -2.233 247 2HH1 ARG 35 HH12 ARG 35 -14.771 -19.184 -1.394 248 1HH2 ARG 35 HH21 ARG 35 -17.514 -16.996 -1.226 249 2HH2 ARG 35 HH22 ARG 35 -16.920 -18.573 -0.823 250 H TYR 36 HN TYR 36 -9.564 -13.493 -2.638 251 HA TYR 36 HA TYR 36 -9.201 -14.510 -0.098 252 1HB TYR 36 HB2 TYR 36 -7.591 -15.037 -1.759 253 2HB TYR 36 HB1 TYR 36 -7.265 -13.343 -2.100 254 HD1 TYR 36 HD1 TYR 36 -6.757 -16.027 0.438 255 HD2 TYR 36 HD2 TYR 36 -5.554 -12.182 -0.953 256 HE1 TYR 36 HE1 TYR 36 -4.813 -16.084 1.951 257 HE2 TYR 36 HE2 TYR 36 -3.616 -12.239 0.553 258 HH TYR 36 HH TYR 36 -2.912 -13.345 2.619 259 H ALA 37 HN ALA 37 -8.728 -11.208 -1.233 260 HA ALA 37 HA ALA 37 -7.421 -10.219 1.062 261 1HB ALA 37 HB1 ALA 37 -9.067 -8.721 -0.976 262 2HB ALA 37 HB2 ALA 37 -7.339 -9.060 -1.076 263 3HB ALA 37 HB3 ALA 37 -7.956 -7.997 0.188 264 H ALA 38 HN ALA 38 -10.804 -10.675 0.282 265 HA ALA 38 HA ALA 38 -11.923 -8.946 2.199 266 1HB ALA 38 HB1 ALA 38 -13.979 -10.247 1.920 267 2HB ALA 38 HB2 ALA 38 -13.073 -11.501 1.074 268 3HB ALA 38 HB3 ALA 38 -13.229 -9.896 0.363 269 H TYR 39 HN TYR 39 -10.836 -12.300 2.386 270 HA TYR 39 HA TYR 39 -11.697 -12.792 5.038 271 1HB TYR 39 HB2 TYR 39 -10.004 -14.142 3.063 272 2HB TYR 39 HB1 TYR 39 -9.420 -14.362 4.708 273 HD1 TYR 39 HD2 TYR 39 -12.233 -14.971 2.418 274 HD2 TYR 39 HD1 TYR 39 -10.657 -15.677 6.302 275 HE1 TYR 39 HE2 TYR 39 -13.936 -16.704 2.791 276 HE2 TYR 39 HE1 TYR 39 -12.352 -17.409 6.686 277 HH TYR 39 HH TYR 39 -14.555 -18.036 5.868 278 H ALA 40 HN ALA 40 -8.689 -11.523 3.683 279 HA ALA 40 HA ALA 40 -7.306 -11.293 6.159 280 1HB ALA 40 HB1 ALA 40 -5.719 -9.905 4.917 281 2HB ALA 40 HB2 ALA 40 -6.852 -9.803 3.568 282 3HB ALA 40 HB3 ALA 40 -6.138 -11.356 4.004 283 H LEU 41 HN LEU 41 -9.614 -9.327 4.479 284 HA LEU 41 HA LEU 41 -9.257 -7.066 6.305 285 1HB LEU 41 HB2 LEU 41 -11.094 -7.448 3.927 286 2HB LEU 41 HB1 LEU 41 -10.992 -5.980 4.884 287 HG LEU 41 HG LEU 41 -8.743 -7.149 3.228 288 1HD1 LEU 41 HD11 LEU 41 -9.095 -5.225 1.763 289 2HD1 LEU 41 HD12 LEU 41 -10.481 -4.729 2.734 290 3HD1 LEU 41 HD13 LEU 41 -10.530 -6.248 1.837 291 1HD2 LEU 41 HD21 LEU 41 -7.573 -5.055 3.719 292 2HD2 LEU 41 HD22 LEU 41 -7.916 -5.957 5.194 293 3HD2 LEU 41 HD23 LEU 41 -8.898 -4.554 4.771 294 H LYS 42 HN LYS 42 -10.406 -9.854 6.841 295 HA LYS 42 HA LYS 42 -11.941 -10.862 8.105 296 1HB LYS 42 HB2 LYS 42 -12.622 -9.767 10.154 297 2HB LYS 42 HB1 LYS 42 -10.944 -9.410 9.801 298 1HG LYS 42 HG2 LYS 42 -11.764 -7.388 10.570 299 2HG LYS 42 HG1 LYS 42 -11.839 -7.195 8.821 300 1HD LYS 42 HD2 LYS 42 -14.277 -8.036 9.059 301 2HD LYS 42 HD1 LYS 42 -14.081 -7.667 10.770 302 1HE LYS 42 HE2 LYS 42 -13.578 -5.354 10.236 303 2HE LYS 42 HE1 LYS 42 -13.659 -5.715 8.511 304 1HZ LYS 42 HZ1 LYS 42 -15.705 -4.706 9.263 305 2HZ LYS 42 HZ2 LYS 42 -15.910 -5.902 10.436 306 3HZ LYS 42 HZ3 LYS 42 -16.000 -6.306 8.797 307 H ASP 43 HN ASP 43 -12.960 -9.142 5.707 308 HA ASP 43 HA ASP 43 -15.764 -8.927 6.528 309 1HB ASP 43 HB2 ASP 43 -14.774 -7.019 5.274 310 2HB ASP 43 HB1 ASP 43 -14.513 -8.087 3.896 311 H PHE 44 HN PHE 44 -16.232 -11.112 6.685 312 HA PHE 44 HA PHE 44 -15.892 -12.916 4.502 313 1HB PHE 44 HB2 PHE 44 -17.362 -14.436 5.808 314 2HB PHE 44 HB1 PHE 44 -16.016 -13.808 6.746 315 HD1 PHE 44 HD2 PHE 44 -16.404 -12.127 8.512 316 HD2 PHE 44 HD1 PHE 44 -19.635 -13.918 6.384 317 HE1 PHE 44 HE2 PHE 44 -17.970 -11.370 10.252 318 HE2 PHE 44 HE1 PHE 44 -21.199 -13.164 8.124 319 HZ PHE 44 HZ PHE 44 -20.370 -11.889 10.061 320 H ASP 45 HN ASP 45 -17.997 -10.366 5.014 321 HA ASP 45 HA ASP 45 -20.427 -11.257 3.965 322 1HB ASP 45 HB2 ASP 45 -20.317 -9.100 5.019 323 2HB ASP 45 HB1 ASP 45 -19.118 -8.532 3.861 324 H TYR 46 HN TYR 46 -17.784 -9.562 2.229 325 HA TYR 46 HA TYR 46 -18.931 -9.844 -0.320 326 1HB TYR 46 HB2 TYR 46 -17.103 -8.253 0.145 327 2HB TYR 46 HB1 TYR 46 -15.980 -9.593 0.349 328 HD1 TYR 46 HD1 TYR 46 -18.477 -8.411 -2.188 329 HD2 TYR 46 HD2 TYR 46 -14.616 -10.067 -1.470 330 HE1 TYR 46 HE1 TYR 46 -18.017 -8.376 -4.602 331 HE2 TYR 46 HE2 TYR 46 -14.150 -10.037 -3.884 332 HH TYR 46 HH TYR 46 -16.322 -8.499 -6.162 333 H ILE 47 HN ILE 47 -16.961 -12.000 1.589 334 HA ILE 47 HA ILE 47 -16.273 -13.912 -0.335 335 HB ILE 47 HB ILE 47 -17.008 -14.377 2.567 336 1HG1 ILE 47 HG12 ILE 47 -15.191 -12.754 2.317 337 2HG1 ILE 47 HG11 ILE 47 -14.575 -14.269 2.970 338 1HG2 ILE 47 HG21 ILE 47 -17.058 -16.452 1.271 339 2HG2 ILE 47 HG22 ILE 47 -15.695 -16.436 2.390 340 3HG2 ILE 47 HG23 ILE 47 -15.429 -16.128 0.673 341 1HD1 ILE 47 HD11 ILE 47 -14.347 -13.340 0.119 342 2HD1 ILE 47 HD12 ILE 47 -13.756 -14.879 0.747 343 3HD1 ILE 47 HD13 ILE 47 -13.062 -13.365 1.326 344 H VAL 48 HN VAL 48 -19.123 -13.758 1.787 345 HA VAL 48 HA VAL 48 -20.477 -15.990 0.747 346 HB VAL 48 HB VAL 48 -21.720 -13.493 1.940 347 1HG1 VAL 48 HG11 VAL 48 -23.565 -14.993 2.579 348 2HG1 VAL 48 HG12 VAL 48 -22.778 -16.316 1.717 349 3HG1 VAL 48 HG13 VAL 48 -23.360 -14.907 0.829 350 1HG2 VAL 48 HG21 VAL 48 -21.627 -14.671 4.088 351 2HG2 VAL 48 HG22 VAL 48 -20.013 -14.422 3.426 352 3HG2 VAL 48 HG23 VAL 48 -20.771 -16.011 3.323 353 H GLU 49 HN GLU 49 -20.618 -12.559 -0.103 354 HA GLU 49 HA GLU 49 -22.589 -12.548 -2.041 355 1HB GLU 49 HB2 GLU 49 -19.985 -10.996 -2.015 356 2HB GLU 49 HB1 GLU 49 -21.386 -10.596 -3.000 357 1HG GLU 49 HG2 GLU 49 -21.524 -10.734 -0.002 358 2HG GLU 49 HG1 GLU 49 -21.039 -9.272 -0.859 359 H THR 50 HN THR 50 -19.187 -13.431 -2.339 360 HA THR 50 HA THR 50 -19.469 -13.936 -5.203 361 HB THR 50 HB THR 50 -16.970 -14.367 -5.048 362 HG1 THR 50 HG1 THR 50 -17.027 -13.046 -2.563 363 1HG2 THR 50 HG21 THR 50 -17.876 -12.213 -5.797 364 2HG2 THR 50 HG22 THR 50 -16.399 -11.990 -4.860 365 3HG2 THR 50 HG23 THR 50 -17.968 -11.665 -4.123 366 H THR 51 HN THR 51 -20.620 -15.696 -2.991 367 HA THR 51 HA THR 51 -19.187 -18.187 -3.608 368 HB THR 51 HB THR 51 -21.396 -17.748 -1.582 369 HG1 THR 51 HG1 THR 51 -19.588 -16.682 -0.861 370 1HG2 THR 51 HG21 THR 51 -21.205 -20.073 -2.432 371 2HG2 THR 51 HG22 THR 51 -20.754 -19.942 -0.730 372 3HG2 THR 51 HG23 THR 51 -19.503 -20.082 -1.965 373 H ASP 52 HN ASP 52 -20.192 -19.917 -4.541 374 HA ASP 52 HA ASP 52 -22.083 -19.701 -6.510 375 1HB ASP 52 HB2 ASP 52 -20.569 -21.673 -5.950 376 2HB ASP 52 HB1 ASP 52 -21.744 -22.125 -4.731 377 HA PRO 53 HA PRO 53 -25.964 -18.936 -4.453 378 1HB PRO 53 HB2 PRO 53 -27.627 -20.377 -6.159 379 2HB PRO 53 HB1 PRO 53 -27.089 -18.717 -6.430 380 1HG PRO 53 HG2 PRO 53 -25.975 -21.273 -7.528 381 2HG PRO 53 HG1 PRO 53 -26.240 -19.721 -8.349 382 1HD PRO 53 HD2 PRO 53 -23.795 -20.435 -7.556 383 2HD PRO 53 HD1 PRO 53 -24.339 -18.751 -7.385 384 H GLU 54 HN GLU 54 -25.182 -22.228 -5.473 385 HA GLU 54 HA GLU 54 -27.083 -23.467 -3.713 386 1HB GLU 54 HB2 GLU 54 -24.744 -24.702 -5.188 387 2HB GLU 54 HB1 GLU 54 -26.116 -25.562 -4.496 388 1HG GLU 54 HG2 GLU 54 -27.622 -24.493 -6.069 389 2HG GLU 54 HG1 GLU 54 -26.294 -23.540 -6.727 390 H ARG 55 HN ARG 55 -23.607 -22.846 -3.677 391 HA ARG 55 HA ARG 55 -23.142 -24.225 -1.193 392 1HB ARG 55 HB2 ARG 55 -21.423 -22.138 -2.563 393 2HB ARG 55 HB1 ARG 55 -20.907 -23.237 -1.293 394 1HG ARG 55 HG2 ARG 55 -21.772 -24.029 -4.068 395 2HG ARG 55 HG1 ARG 55 -20.113 -23.946 -3.482 396 1HD ARG 55 HD2 ARG 55 -20.684 -25.674 -1.787 397 2HD ARG 55 HD1 ARG 55 -22.284 -25.809 -2.518 398 HE ARG 55 HE ARG 55 -20.451 -26.175 -4.560 399 1HH1 ARG 55 HH11 ARG 55 -21.243 -27.775 -1.552 400 2HH1 ARG 55 HH12 ARG 55 -20.803 -29.353 -2.121 401 1HH2 ARG 55 HH21 ARG 55 -19.812 -28.251 -5.306 402 2HH2 ARG 55 HH22 ARG 55 -19.959 -29.617 -4.248 403 H ARG 56 HN ARG 56 -24.041 -21.030 -2.165 404 HA ARG 56 HA ARG 56 -23.318 -19.619 0.191 405 1HB ARG 56 HB2 ARG 56 -23.738 -18.627 -2.090 406 2HB ARG 56 HB1 ARG 56 -25.454 -18.908 -1.840 407 1HG ARG 56 HG2 ARG 56 -25.528 -17.331 -0.050 408 2HG ARG 56 HG1 ARG 56 -23.767 -17.188 -0.030 409 1HD ARG 56 HD2 ARG 56 -24.756 -15.268 -1.152 410 2HD ARG 56 HD1 ARG 56 -23.825 -16.234 -2.297 411 HE ARG 56 HE ARG 56 -26.771 -16.346 -2.090 412 1HH1 ARG 56 HH11 ARG 56 -23.840 -16.355 -4.031 413 2HH1 ARG 56 HH12 ARG 56 -24.697 -16.404 -5.538 414 1HH2 ARG 56 HH21 ARG 56 -27.881 -16.437 -4.089 415 2HH2 ARG 56 HH22 ARG 56 -26.974 -16.455 -5.570 416 H ASP 57 HN ASP 57 -26.006 -21.538 -0.790 417 HA ASP 57 HA ASP 57 -27.859 -20.851 1.236 418 1HB ASP 57 HB2 ASP 57 -28.602 -22.037 -0.724 419 2HB ASP 57 HB1 ASP 57 -27.463 -23.346 -0.436 420 H LEU 58 HN LEU 58 -24.968 -22.720 1.215 421 HA LEU 58 HA LEU 58 -25.597 -24.075 3.733 422 1HB LEU 58 HB2 LEU 58 -23.166 -24.321 1.951 423 2HB LEU 58 HB1 LEU 58 -23.537 -25.333 3.335 424 HG LEU 58 HG LEU 58 -25.166 -25.194 0.788 425 1HD1 LEU 58 HD11 LEU 58 -24.317 -27.446 0.361 426 2HD1 LEU 58 HD12 LEU 58 -23.301 -27.343 1.799 427 3HD1 LEU 58 HD13 LEU 58 -23.007 -26.268 0.431 428 1HD2 LEU 58 HD21 LEU 58 -25.443 -26.989 3.204 429 2HD2 LEU 58 HD22 LEU 58 -26.370 -27.119 1.708 430 3HD2 LEU 58 HD23 LEU 58 -26.548 -25.696 2.733 431 H PHE 59 HN PHE 59 -23.631 -21.511 2.429 432 HA PHE 59 HA PHE 59 -21.680 -21.285 4.411 433 1HB PHE 59 HB2 PHE 59 -22.836 -19.432 2.379 434 2HB PHE 59 HB1 PHE 59 -21.887 -18.715 3.677 435 HD1 PHE 59 HD1 PHE 59 -21.358 -21.986 1.964 436 HD2 PHE 59 HD2 PHE 59 -19.942 -18.017 2.602 437 HE1 PHE 59 HE1 PHE 59 -19.282 -22.535 0.764 438 HE2 PHE 59 HE2 PHE 59 -17.869 -18.561 1.401 439 HZ PHE 59 HZ PHE 59 -17.534 -20.822 0.480 440 H ASP 60 HN ASP 60 -21.569 -20.393 6.365 441 HA ASP 60 HA ASP 60 -23.961 -19.063 7.473 442 1HB ASP 60 HB2 ASP 60 -23.822 -21.297 8.423 443 2HB ASP 60 HB1 ASP 60 -22.123 -21.067 8.816 444 H HIS 61 HN HIS 61 -23.552 -17.409 9.009 445 HA HIS 61 HA HIS 61 -21.449 -15.708 8.251 446 1HB HIS 61 HB2 HIS 61 -23.126 -15.558 10.774 447 2HB HIS 61 HB1 HIS 61 -22.188 -14.243 10.077 448 HD1 HIS 61 HD1 HIS 61 -23.502 -12.687 8.658 449 HD2 HIS 61 HD2 HIS 61 -25.253 -16.456 8.861 450 HE1 HIS 61 HE1 HIS 61 -25.664 -12.504 7.387 451 HE2 HIS 61 HE2 HIS 61 -26.701 -14.797 7.513 452 H ASP 62 HN ASP 62 -21.882 -17.673 11.177 453 HA ASP 62 HA ASP 62 -19.486 -16.766 12.439 454 1HB ASP 62 HB2 ASP 62 -21.225 -19.187 12.981 455 2HB ASP 62 HB1 ASP 62 -19.896 -18.668 14.012 456 H VAL 63 HN VAL 63 -20.360 -19.579 10.504 457 HA VAL 63 HA VAL 63 -17.957 -21.019 10.878 458 HB VAL 63 HB VAL 63 -19.870 -21.108 8.527 459 1HG1 VAL 63 HG11 VAL 63 -17.705 -22.079 7.950 460 2HG1 VAL 63 HG12 VAL 63 -18.930 -23.338 8.097 461 3HG1 VAL 63 HG13 VAL 63 -17.759 -23.092 9.393 462 1HG2 VAL 63 HG21 VAL 63 -20.967 -21.611 10.657 463 2HG2 VAL 63 HG22 VAL 63 -19.735 -22.822 11.018 464 3HG2 VAL 63 HG23 VAL 63 -20.836 -23.060 9.660 465 H ASN 64 HN ASN 64 -18.998 -18.780 8.315 466 HA ASN 64 HA ASN 64 -16.683 -18.855 6.743 467 1HB ASN 64 HB2 ASN 64 -18.610 -16.556 7.209 468 2HB ASN 64 HB1 ASN 64 -17.380 -16.579 5.951 469 1HD2 ASN 64 HD21 ASN 64 -20.267 -16.374 5.705 470 2HD2 ASN 64 HD22 ASN 64 -20.762 -17.700 4.719 471 H ARG 65 HN ARG 65 -17.496 -16.980 9.602 472 HA ARG 65 HA ARG 65 -15.177 -15.348 9.630 473 1HB ARG 65 HB2 ARG 65 -17.116 -14.677 10.900 474 2HB ARG 65 HB1 ARG 65 -17.091 -16.173 11.827 475 1HG ARG 65 HG2 ARG 65 -14.913 -15.494 12.790 476 2HG ARG 65 HG1 ARG 65 -15.042 -13.962 11.928 477 1HD ARG 65 HD2 ARG 65 -17.034 -13.385 13.169 478 2HD ARG 65 HD1 ARG 65 -17.041 -14.967 13.954 479 HE ARG 65 HE ARG 65 -14.587 -13.602 14.404 480 1HH1 ARG 65 HH11 ARG 65 -17.928 -13.699 15.443 481 2HH1 ARG 65 HH12 ARG 65 -17.582 -13.082 17.030 482 1HH2 ARG 65 HH21 ARG 65 -14.127 -12.796 16.470 483 2HH2 ARG 65 HH22 ARG 65 -15.417 -12.548 17.607 484 H ALA 66 HN ALA 66 -15.977 -18.449 11.134 485 HA ALA 66 HA ALA 66 -13.976 -18.677 13.000 486 1HB ALA 66 HB1 ALA 66 -15.096 -20.916 11.315 487 2HB ALA 66 HB2 ALA 66 -15.841 -20.250 12.768 488 3HB ALA 66 HB3 ALA 66 -14.291 -21.085 12.877 489 H TRP 67 HN TRP 67 -13.783 -19.320 9.547 490 HA TRP 67 HA TRP 67 -11.350 -20.697 9.499 491 1HB TRP 67 HB2 TRP 67 -12.992 -20.476 7.601 492 2HB TRP 67 HB1 TRP 67 -12.388 -18.844 7.341 493 HD1 TRP 67 HD1 TRP 67 -9.720 -18.677 6.576 494 HE1 TRP 67 HE1 TRP 67 -8.343 -20.300 5.132 495 HE3 TRP 67 HE3 TRP 67 -12.679 -22.833 6.971 496 HZ2 TRP 67 HZ2 TRP 67 -8.489 -22.984 4.269 497 HZ3 TRP 67 HZ3 TRP 67 -11.989 -24.887 5.802 498 HH2 TRP 67 HH2 TRP 67 -9.937 -24.959 4.478 499 H MET 68 HN MET 68 -11.978 -17.201 9.087 500 HA MET 68 HA MET 68 -9.217 -16.561 8.708 501 1HB MET 68 HB2 MET 68 -9.904 -14.238 8.738 502 2HB MET 68 HB1 MET 68 -11.046 -15.172 7.786 503 1HG MET 68 HG2 MET 68 -12.588 -15.200 9.706 504 2HG MET 68 HG1 MET 68 -11.452 -14.194 10.605 505 1HE MET 68 HE1 MET 68 -13.322 -12.396 11.077 506 2HE MET 68 HE2 MET 68 -14.504 -13.374 10.206 507 3HE MET 68 HE3 MET 68 -14.324 -11.662 9.825 508 H GLU 69 HN GLU 69 -11.156 -17.072 11.483 509 HA GLU 69 HA GLU 69 -9.640 -15.423 13.284 510 1HB GLU 69 HB2 GLU 69 -11.522 -17.707 13.920 511 2HB GLU 69 HB1 GLU 69 -10.967 -16.470 15.041 512 1HG GLU 69 HG2 GLU 69 -12.638 -15.951 12.589 513 2HG GLU 69 HG1 GLU 69 -13.269 -16.115 14.220 514 H GLU 70 HN GLU 70 -9.444 -18.688 12.106 515 HA GLU 70 HA GLU 70 -7.298 -19.295 14.035 516 1HB GLU 70 HB2 GLU 70 -7.592 -21.654 13.351 517 2HB GLU 70 HB1 GLU 70 -9.057 -20.952 14.022 518 1HG GLU 70 HG2 GLU 70 -9.992 -20.689 11.803 519 2HG GLU 70 HG1 GLU 70 -8.500 -21.281 11.076 520 H SER 71 HN SER 71 -7.860 -18.554 10.733 521 HA SER 71 HA SER 71 -5.212 -19.589 9.965 522 1HB SER 71 HB2 SER 71 -7.445 -18.635 8.148 523 2HB SER 71 HB1 SER 71 -5.964 -19.463 7.662 524 HG SER 71 HG SER 71 -8.167 -20.487 9.114 525 H ASP 72 HN ASP 72 -3.779 -18.016 10.538 526 HA ASP 72 HA ASP 72 -4.303 -15.226 9.980 527 1HB ASP 72 HB2 ASP 72 -2.976 -15.806 11.949 528 2HB ASP 72 HB1 ASP 72 -1.786 -16.620 10.938 529 H PHE 73 HN PHE 73 -4.540 -14.981 7.806 530 HA PHE 73 HA PHE 73 -3.032 -16.273 5.825 531 1HB PHE 73 HB2 PHE 73 -4.562 -13.662 5.660 532 2HB PHE 73 HB1 PHE 73 -3.987 -14.591 4.277 533 HD1 PHE 73 HD2 PHE 73 -4.915 -16.886 3.871 534 HD2 PHE 73 HD1 PHE 73 -6.587 -14.228 6.752 535 HE1 PHE 73 HE2 PHE 73 -6.983 -18.217 3.897 536 HE2 PHE 73 HE1 PHE 73 -8.654 -15.561 6.783 537 HZ PHE 73 HZ PHE 73 -8.854 -17.556 5.353 538 H LEU 74 HN LEU 74 -1.102 -15.919 4.998 539 HA LEU 74 HA LEU 74 0.405 -13.538 5.872 540 1HB LEU 74 HB2 LEU 74 1.402 -16.300 5.137 541 2HB LEU 74 HB1 LEU 74 2.423 -14.949 5.588 542 HG LEU 74 HG LEU 74 0.400 -16.299 7.389 543 1HD1 LEU 74 HD11 LEU 74 2.337 -17.716 6.953 544 2HD1 LEU 74 HD12 LEU 74 2.349 -17.125 8.614 545 3HD1 LEU 74 HD13 LEU 74 3.419 -16.401 7.412 546 1HD2 LEU 74 HD21 LEU 74 0.634 -13.923 7.896 547 2HD2 LEU 74 HD22 LEU 74 2.387 -14.101 7.981 548 3HD2 LEU 74 HD23 LEU 74 1.359 -14.913 9.162 549 H GLU 75 HN GLU 75 -0.010 -15.833 3.192 550 HA GLU 75 HA GLU 75 0.752 -13.791 1.261 551 1HB GLU 75 HB2 GLU 75 2.905 -14.739 1.871 552 2HB GLU 75 HB1 GLU 75 2.291 -16.371 1.666 553 1HG GLU 75 HG2 GLU 75 1.997 -15.900 -0.756 554 2HG GLU 75 HG1 GLU 75 2.757 -14.329 -0.502 555 H LEU 76 HN LEU 76 0.158 -14.296 -0.875 556 HA LEU 76 HA LEU 76 -1.469 -16.721 -1.241 557 1HB LEU 76 HB2 LEU 76 -2.825 -14.598 -0.910 558 2HB LEU 76 HB1 LEU 76 -2.135 -14.007 -2.406 559 HG LEU 76 HG LEU 76 -4.484 -15.001 -2.513 560 1HD1 LEU 76 HD11 LEU 76 -3.139 -14.582 -4.509 561 2HD1 LEU 76 HD12 LEU 76 -4.128 -16.031 -4.681 562 3HD1 LEU 76 HD13 LEU 76 -2.401 -16.177 -4.351 563 1HD2 LEU 76 HD21 LEU 76 -4.091 -16.943 -1.089 564 2HD2 LEU 76 HD22 LEU 76 -2.941 -17.587 -2.262 565 3HD2 LEU 76 HD23 LEU 76 -4.645 -17.435 -2.689 566 H ARG 77 HN ARG 77 -0.898 -17.869 -2.980 567 HA ARG 77 HA ARG 77 0.957 -16.667 -4.926 568 1HB ARG 77 HB2 ARG 77 2.244 -17.911 -3.273 569 2HB ARG 77 HB1 ARG 77 1.210 -19.316 -3.476 570 1HG ARG 77 HG2 ARG 77 2.023 -19.564 -5.786 571 2HG ARG 77 HG1 ARG 77 3.085 -18.172 -5.547 572 1HD ARG 77 HD2 ARG 77 4.258 -19.340 -3.764 573 2HD ARG 77 HD1 ARG 77 3.159 -20.712 -3.909 574 HE ARG 77 HE ARG 77 4.396 -20.239 -6.397 575 1HH1 ARG 77 HH11 ARG 77 5.151 -21.423 -3.186 576 2HH1 ARG 77 HH12 ARG 77 6.436 -22.453 -3.734 577 1HH2 ARG 77 HH21 ARG 77 6.084 -21.605 -7.114 578 2HH2 ARG 77 HH22 ARG 77 6.966 -22.556 -5.957 579 H VAL 78 HN VAL 78 -0.405 -16.602 -6.650 580 HA VAL 78 HA VAL 78 -2.207 -18.758 -7.286 581 HB VAL 78 HB VAL 78 -1.419 -16.296 -8.860 582 1HG1 VAL 78 HG11 VAL 78 -2.181 -18.039 -10.387 583 2HG1 VAL 78 HG12 VAL 78 -3.395 -16.766 -10.265 584 3HG1 VAL 78 HG13 VAL 78 -3.627 -18.291 -9.409 585 1HG2 VAL 78 HG21 VAL 78 -3.887 -16.896 -7.223 586 2HG2 VAL 78 HG22 VAL 78 -3.631 -15.446 -8.195 587 3HG2 VAL 78 HG23 VAL 78 -2.600 -15.765 -6.801 588 H LEU 79 HN LEU 79 -1.805 -20.469 -8.561 589 HA LEU 79 HA LEU 79 0.865 -20.703 -9.741 590 1HB LEU 79 HB2 LEU 79 -1.272 -22.804 -9.314 591 2HB LEU 79 HB1 LEU 79 0.352 -23.106 -9.907 592 HG LEU 79 HG LEU 79 -0.363 -22.095 -7.144 593 1HD1 LEU 79 HD11 LEU 79 0.705 -24.770 -8.048 594 2HD1 LEU 79 HD12 LEU 79 -0.928 -24.444 -7.465 595 3HD1 LEU 79 HD13 LEU 79 0.448 -24.268 -6.377 596 1HD2 LEU 79 HD21 LEU 79 1.763 -21.166 -7.889 597 2HD2 LEU 79 HD22 LEU 79 2.332 -22.776 -8.331 598 3HD2 LEU 79 HD23 LEU 79 2.022 -22.383 -6.639 599 H GLY 80 HN GLY 80 -2.485 -21.545 -10.657 600 1HA GLY 80 HA2 GLY 80 -1.984 -20.585 -13.369 601 2HA GLY 80 HA1 GLY 80 -2.338 -22.299 -13.194 602 H SER 81 HN SER 81 -3.929 -20.560 -14.693 603 HA SER 81 HA SER 81 -6.443 -20.670 -13.183 604 1HB SER 81 HB2 SER 81 -7.059 -18.440 -14.233 605 2HB SER 81 HB1 SER 81 -5.813 -18.362 -12.987 606 HG SER 81 HG SER 81 -5.409 -17.178 -15.017 607 H SER 82 HN SER 82 -8.295 -20.973 -14.467 608 HA SER 82 HA SER 82 -7.995 -21.254 -17.347 609 1HB SER 82 HB2 SER 82 -8.902 -23.575 -15.612 610 2HB SER 82 HB1 SER 82 -8.795 -23.566 -17.373 611 HG SER 82 HG SER 82 -6.448 -22.904 -16.763 612 H GLU 83 HN GLU 83 -9.675 -20.189 -18.151 613 HA GLU 83 HA GLU 83 -12.297 -20.381 -16.813 614 1HB GLU 83 HB2 GLU 83 -11.460 -18.084 -17.006 615 2HB GLU 83 HB1 GLU 83 -11.223 -18.291 -18.735 616 1HG GLU 83 HG2 GLU 83 -13.631 -18.524 -19.052 617 2HG GLU 83 HG1 GLU 83 -13.884 -18.362 -17.315 618 H LYS 84 HN LYS 84 -13.607 -21.802 -17.751 619 HA LYS 84 HA LYS 84 -13.310 -22.355 -20.635 620 1HB LYS 84 HB2 LYS 84 -14.340 -24.250 -18.504 621 2HB LYS 84 HB1 LYS 84 -14.037 -24.631 -20.192 622 1HG LYS 84 HG2 LYS 84 -11.962 -23.903 -18.134 623 2HG LYS 84 HG1 LYS 84 -12.282 -25.515 -18.778 624 1HD LYS 84 HD2 LYS 84 -11.642 -24.742 -21.021 625 2HD LYS 84 HD1 LYS 84 -11.319 -23.131 -20.373 626 1HE LYS 84 HE2 LYS 84 -9.608 -24.112 -18.886 627 2HE LYS 84 HE1 LYS 84 -9.898 -25.684 -19.628 628 1HZ LYS 84 HZ1 LYS 84 -9.192 -24.780 -21.748 629 2HZ LYS 84 HZ2 LYS 84 -7.977 -24.571 -20.592 630 3HZ LYS 84 HZ3 LYS 84 -8.938 -23.261 -21.049 631 H GLY 85 HN GLY 85 -14.813 -20.837 -21.312 632 1HA GLY 85 HA2 GLY 85 -16.890 -20.078 -21.905 633 2HA GLY 85 HA1 GLY 85 -17.518 -21.632 -21.380 634 H SER 86 HN SER 86 -18.332 -21.862 -19.293 635 HA SER 86 HA SER 86 -18.706 -19.348 -17.794 636 1HB SER 86 HB2 SER 86 -20.726 -21.585 -18.135 637 2HB SER 86 HB1 SER 86 -20.973 -20.081 -17.244 638 HG SER 86 HG SER 86 -20.381 -19.077 -19.394 639 H ARG 87 HN ARG 87 -17.402 -22.417 -17.725 640 HA ARG 87 HA ARG 87 -17.562 -22.571 -14.784 641 1HB ARG 87 HB2 ARG 87 -18.162 -24.622 -16.107 642 2HB ARG 87 HB1 ARG 87 -16.527 -24.653 -16.740 643 1HG ARG 87 HG2 ARG 87 -17.002 -24.730 -13.778 644 2HG ARG 87 HG1 ARG 87 -17.178 -26.191 -14.748 645 1HD ARG 87 HD2 ARG 87 -14.691 -24.478 -14.598 646 2HD ARG 87 HD1 ARG 87 -14.938 -25.997 -13.739 647 HE ARG 87 HE ARG 87 -15.348 -26.413 -16.492 648 1HH1 ARG 87 HH11 ARG 87 -12.739 -25.798 -14.223 649 2HH1 ARG 87 HH12 ARG 87 -11.546 -26.589 -15.202 650 1HH2 ARG 87 HH21 ARG 87 -13.767 -27.440 -17.769 651 2HH2 ARG 87 HH22 ARG 87 -12.124 -27.514 -17.212 652 H GLY 88 HN GLY 88 -15.781 -22.156 -13.588 653 1HA GLY 88 HA2 GLY 88 -13.259 -21.657 -15.058 654 2HA GLY 88 HA1 GLY 88 -13.849 -20.580 -13.799 655 H THR 89 HN THR 89 -11.337 -21.789 -13.788 656 HA THR 89 HA THR 89 -11.427 -23.067 -11.206 657 HB THR 89 HB THR 89 -10.281 -24.552 -13.594 658 HG1 THR 89 HG1 THR 89 -12.670 -24.724 -12.170 659 1HG2 THR 89 HG21 THR 89 -8.882 -24.874 -11.628 660 2HG2 THR 89 HG22 THR 89 -9.792 -26.347 -11.966 661 3HG2 THR 89 HG23 THR 89 -10.299 -25.278 -10.658 662 H VAL 90 HN VAL 90 -9.750 -22.311 -10.062 663 HA VAL 90 HA VAL 90 -7.281 -21.593 -11.487 664 HB VAL 90 HB VAL 90 -8.400 -19.483 -11.101 665 1HG1 VAL 90 HG11 VAL 90 -9.012 -18.680 -8.885 666 2HG1 VAL 90 HG12 VAL 90 -8.526 -20.222 -8.176 667 3HG1 VAL 90 HG13 VAL 90 -9.895 -20.154 -9.287 668 1HG2 VAL 90 HG21 VAL 90 -6.149 -19.868 -9.118 669 2HG2 VAL 90 HG22 VAL 90 -6.710 -18.320 -9.753 670 3HG2 VAL 90 HG23 VAL 90 -5.974 -19.502 -10.835 671 H GLU 91 HN GLU 91 -5.524 -22.384 -10.617 672 HA GLU 91 HA GLU 91 -5.709 -23.794 -8.050 673 1HB GLU 91 HB2 GLU 91 -5.009 -25.172 -9.913 674 2HB GLU 91 HB1 GLU 91 -3.765 -24.013 -10.362 675 1HG GLU 91 HG2 GLU 91 -2.534 -24.495 -8.336 676 2HG GLU 91 HG1 GLU 91 -3.813 -25.576 -7.786 677 H PHE 92 HN PHE 92 -4.454 -23.229 -6.337 678 HA PHE 92 HA PHE 92 -2.298 -21.324 -6.620 679 1HB PHE 92 HB2 PHE 92 -3.348 -19.656 -5.090 680 2HB PHE 92 HB1 PHE 92 -4.173 -19.790 -6.639 681 HD1 PHE 92 HD1 PHE 92 -4.396 -20.492 -3.039 682 HD2 PHE 92 HD2 PHE 92 -6.412 -20.663 -6.790 683 HE1 PHE 92 HE1 PHE 92 -6.523 -20.898 -1.875 684 HE2 PHE 92 HE2 PHE 92 -8.541 -21.065 -5.629 685 HZ PHE 92 HZ PHE 92 -8.600 -21.184 -3.171 686 H ILE 93 HN ILE 93 -1.460 -20.689 -4.442 687 HA ILE 93 HA ILE 93 -1.838 -22.782 -2.406 688 HB ILE 93 HB ILE 93 0.756 -21.446 -3.244 689 1HG1 ILE 93 HG12 ILE 93 -0.083 -24.362 -3.248 690 2HG1 ILE 93 HG11 ILE 93 0.051 -23.338 -4.671 691 1HG2 ILE 93 HG21 ILE 93 1.835 -22.754 -1.465 692 2HG2 ILE 93 HG22 ILE 93 0.253 -23.323 -0.930 693 3HG2 ILE 93 HG23 ILE 93 0.660 -21.611 -0.814 694 1HD1 ILE 93 HD11 ILE 93 2.314 -24.142 -2.856 695 2HD1 ILE 93 HD12 ILE 93 2.453 -23.123 -4.290 696 3HD1 ILE 93 HD13 ILE 93 1.967 -24.811 -4.450 697 H ALA 94 HN ALA 94 -2.809 -21.846 -0.726 698 HA ALA 94 HA ALA 94 -2.390 -19.007 -0.154 699 1HB ALA 94 HB1 ALA 94 -4.261 -19.273 1.426 700 2HB ALA 94 HB2 ALA 94 -4.321 -20.998 1.057 701 3HB ALA 94 HB3 ALA 94 -4.693 -19.814 -0.196 702 H ARG 95 HN ARG 95 -0.779 -18.478 1.188 703 HA ARG 95 HA ARG 95 0.217 -20.448 3.111 704 1HB ARG 95 HB2 ARG 95 1.870 -19.294 1.688 705 2HB ARG 95 HB1 ARG 95 1.332 -17.742 2.322 706 1HG ARG 95 HG2 ARG 95 1.984 -18.623 4.622 707 2HG ARG 95 HG1 ARG 95 2.790 -19.941 3.772 708 1HD ARG 95 HD2 ARG 95 3.380 -16.990 3.539 709 2HD ARG 95 HD1 ARG 95 4.398 -18.219 4.288 710 HE ARG 95 HE ARG 95 3.826 -18.042 1.393 711 1HH1 ARG 95 HH11 ARG 95 5.927 -18.938 4.051 712 2HH1 ARG 95 HH12 ARG 95 7.238 -19.402 3.016 713 1HH2 ARG 95 HH21 ARG 95 5.529 -18.640 0.043 714 2HH2 ARG 95 HH22 ARG 95 7.008 -19.250 0.726 715 H PHE 96 HN PHE 96 -0.410 -20.373 5.146 716 HA PHE 96 HA PHE 96 -0.959 -17.809 6.423 717 1HB PHE 96 HB2 PHE 96 -3.020 -18.938 7.521 718 2HB PHE 96 HB1 PHE 96 -3.184 -18.321 5.882 719 HD1 PHE 96 HD1 PHE 96 -2.087 -21.520 7.519 720 HD2 PHE 96 HD2 PHE 96 -4.375 -19.652 4.445 721 HE1 PHE 96 HE1 PHE 96 -2.857 -23.725 6.752 722 HE2 PHE 96 HE2 PHE 96 -5.152 -21.857 3.684 723 HZ PHE 96 HZ PHE 96 -4.395 -23.896 4.838 724 H ARG 97 HN ARG 97 -1.015 -17.985 8.770 725 HA ARG 97 HA ARG 97 0.768 -20.066 9.758 726 1HB ARG 97 HB2 ARG 97 0.990 -17.583 10.327 727 2HB ARG 97 HB1 ARG 97 -0.450 -17.773 11.315 728 1HG ARG 97 HG2 ARG 97 0.695 -19.396 12.719 729 2HG ARG 97 HG1 ARG 97 2.133 -19.287 11.696 730 1HD ARG 97 HD2 ARG 97 2.323 -16.897 12.249 731 2HD ARG 97 HD1 ARG 97 0.910 -17.032 13.293 732 HE ARG 97 HE ARG 97 2.974 -18.874 14.014 733 1HH1 ARG 97 HH11 ARG 97 1.932 -15.541 14.311 734 2HH1 ARG 97 HH12 ARG 97 2.824 -15.263 15.778 735 1HH2 ARG 97 HH21 ARG 97 4.144 -18.500 15.966 736 2HH2 ARG 97 HH22 ARG 97 4.063 -16.932 16.710 737 H ARG 98 HN ARG 98 -0.098 -21.896 10.446 738 HA ARG 98 HA ARG 98 -2.922 -22.229 10.544 739 1HB ARG 98 HB2 ARG 98 -0.923 -23.865 9.872 740 2HB ARG 98 HB1 ARG 98 -1.055 -24.344 11.556 741 1HG ARG 98 HG2 ARG 98 -3.367 -24.364 9.621 742 2HG ARG 98 HG1 ARG 98 -2.331 -25.756 9.931 743 1HD ARG 98 HD2 ARG 98 -3.007 -25.776 12.265 744 2HD ARG 98 HD1 ARG 98 -3.969 -24.316 12.022 745 HE ARG 98 HE ARG 98 -5.431 -25.604 10.582 746 1HH1 ARG 98 HH11 ARG 98 -3.255 -27.441 12.621 747 2HH1 ARG 98 HH12 ARG 98 -4.189 -28.895 12.520 748 1HH2 ARG 98 HH21 ARG 98 -6.657 -27.520 10.442 749 2HH2 ARG 98 HH22 ARG 98 -6.127 -28.942 11.283 750 H GLY 99 HN GLY 99 -4.160 -21.716 12.215 751 1HA GLY 99 HA2 GLY 99 -5.011 -21.740 14.347 752 2HA GLY 99 HA1 GLY 99 -3.658 -22.749 14.835 753 H GLY 100 HN GLY 100 -1.606 -21.688 15.262 754 1HA GLY 100 HA2 GLY 100 -1.314 -18.885 15.450 755 2HA GLY 100 HA1 GLY 100 -1.851 -19.509 17.005 756 H GLY 101 HN GLY 101 0.341 -20.924 14.595 757 1HA GLY 101 HA2 GLY 101 2.692 -20.340 16.135 758 2HA GLY 101 HA1 GLY 101 2.176 -22.012 16.311 759 HA PRO 102 HA PRO 102 4.368 -23.008 12.645 760 1HB PRO 102 HB2 PRO 102 2.952 -25.074 11.627 761 2HB PRO 102 HB1 PRO 102 3.851 -25.209 13.143 762 1HG PRO 102 HG2 PRO 102 0.919 -24.719 12.722 763 2HG PRO 102 HG1 PRO 102 1.714 -25.825 13.859 764 1HD PRO 102 HD2 PRO 102 0.773 -23.381 14.598 765 2HD PRO 102 HD1 PRO 102 2.183 -24.140 15.367 766 H GLU 103 HN GLU 103 4.461 -22.643 10.429 767 HA GLU 103 HA GLU 103 2.221 -21.288 9.178 768 1HB GLU 103 HB2 GLU 103 4.997 -21.998 8.208 769 2HB GLU 103 HB1 GLU 103 3.780 -21.299 7.154 770 1HG GLU 103 HG2 GLU 103 3.669 -19.326 8.623 771 2HG GLU 103 HG1 GLU 103 4.953 -20.020 9.614 772 H GLN 104 HN GLN 104 1.311 -22.012 7.168 773 HA GLN 104 HA GLN 104 1.871 -24.683 6.234 774 1HB GLN 104 HB2 GLN 104 0.201 -25.100 8.015 775 2HB GLN 104 HB1 GLN 104 -0.903 -23.973 7.237 776 1HG GLN 104 HG2 GLN 104 -0.961 -25.431 5.251 777 2HG GLN 104 HG1 GLN 104 0.098 -26.573 6.079 778 1HE2 GLN 104 HE21 GLN 104 -0.727 -27.813 7.767 779 2HE2 GLN 104 HE22 GLN 104 -2.424 -27.971 8.052 780 H SER 105 HN SER 105 1.260 -24.959 4.117 781 HA SER 105 HA SER 105 0.050 -22.617 2.803 782 1HB SER 105 HB2 SER 105 1.492 -23.317 0.802 783 2HB SER 105 HB1 SER 105 2.340 -22.592 2.165 784 HG SER 105 HG SER 105 2.980 -24.645 2.825 785 H HIS 106 HN HIS 106 -1.895 -23.127 2.137 786 HA HIS 106 HA HIS 106 -2.616 -25.900 1.626 787 1HB HIS 106 HB2 HIS 106 -4.114 -24.644 3.041 788 2HB HIS 106 HB1 HIS 106 -4.252 -23.363 1.845 789 HD1 HIS 106 HD1 HIS 106 -5.161 -27.051 2.205 790 HD2 HIS 106 HD2 HIS 106 -6.381 -23.617 0.204 791 HE1 HIS 106 HE1 HIS 106 -7.302 -27.668 1.041 792 HE2 HIS 106 HE2 HIS 106 -8.094 -25.530 -0.040 793 H HIS 107 HN HIS 107 -2.008 -26.553 -0.324 794 HA HIS 107 HA HIS 107 -2.377 -24.881 -2.685 795 1HB HIS 107 HB2 HIS 107 -0.313 -26.080 -2.670 796 2HB HIS 107 HB1 HIS 107 -1.099 -27.581 -2.210 797 HD1 HIS 107 HD1 HIS 107 -0.304 -28.952 -4.179 798 HD2 HIS 107 HD2 HIS 107 -2.313 -25.503 -5.331 799 HE1 HIS 107 HE1 HIS 107 -0.620 -29.159 -6.655 800 HE2 HIS 107 HE2 HIS 107 -1.999 -27.160 -7.296 801 H GLU 108 HN GLU 108 -4.400 -24.816 -3.462 802 HA GLU 108 HA GLU 108 -5.791 -27.382 -3.812 803 1HB GLU 108 HB2 GLU 108 -7.913 -26.426 -3.225 804 2HB GLU 108 HB1 GLU 108 -6.798 -26.164 -1.894 805 1HG GLU 108 HG2 GLU 108 -6.599 -23.866 -2.373 806 2HG GLU 108 HG1 GLU 108 -7.335 -24.053 -3.964 807 H ARG 109 HN ARG 109 -7.708 -27.065 -5.296 808 HA ARG 109 HA ARG 109 -7.136 -25.145 -7.452 809 1HB ARG 109 HB2 ARG 109 -6.292 -27.422 -8.037 810 2HB ARG 109 HB1 ARG 109 -7.915 -28.058 -7.810 811 1HG ARG 109 HG2 ARG 109 -8.734 -26.765 -9.672 812 2HG ARG 109 HG1 ARG 109 -7.171 -25.963 -9.848 813 1HD ARG 109 HD2 ARG 109 -7.668 -28.926 -10.186 814 2HD ARG 109 HD1 ARG 109 -7.492 -27.765 -11.501 815 HE ARG 109 HE ARG 109 -5.222 -27.543 -9.905 816 1HH1 ARG 109 HH11 ARG 109 -6.734 -30.000 -11.897 817 2HH1 ARG 109 HH12 ARG 109 -5.229 -30.750 -12.325 818 1HH2 ARG 109 HH21 ARG 109 -3.249 -28.518 -10.481 819 2HH2 ARG 109 HH22 ARG 109 -3.248 -29.889 -11.550 820 H SER 110 HN SER 110 -8.827 -23.793 -7.281 821 HA SER 110 HA SER 110 -11.343 -24.788 -6.184 822 1HB SER 110 HB2 SER 110 -10.217 -22.804 -5.183 823 2HB SER 110 HB1 SER 110 -10.449 -21.937 -6.699 824 HG SER 110 HG SER 110 -12.235 -22.500 -4.691 825 H GLN 111 HN GLN 111 -13.203 -24.908 -7.277 826 HA GLN 111 HA GLN 111 -13.297 -24.065 -10.080 827 1HB GLN 111 HB2 GLN 111 -15.092 -25.873 -8.442 828 2HB GLN 111 HB1 GLN 111 -15.507 -25.340 -10.063 829 1HG GLN 111 HG2 GLN 111 -14.605 -27.499 -10.289 830 2HG GLN 111 HG1 GLN 111 -13.355 -26.390 -10.845 831 1HE2 GLN 111 HE21 GLN 111 -11.488 -26.148 -9.626 832 2HE2 GLN 111 HE22 GLN 111 -11.047 -27.249 -8.373 833 H PHE 112 HN PHE 112 -14.689 -22.544 -10.818 834 HA PHE 112 HA PHE 112 -16.452 -21.189 -8.885 835 1HB PHE 112 HB2 PHE 112 -14.618 -19.929 -10.946 836 2HB PHE 112 HB1 PHE 112 -15.899 -19.050 -10.120 837 HD1 PHE 112 HD1 PHE 112 -12.694 -20.837 -9.620 838 HD2 PHE 112 HD2 PHE 112 -15.591 -18.208 -7.933 839 HE1 PHE 112 HE1 PHE 112 -11.151 -20.319 -7.777 840 HE2 PHE 112 HE2 PHE 112 -14.049 -17.689 -6.088 841 HZ PHE 112 HZ PHE 112 -11.826 -18.745 -6.009 842 H ARG 113 HN ARG 113 -18.403 -20.458 -9.698 843 HA ARG 113 HA ARG 113 -19.171 -21.391 -12.378 844 1HB ARG 113 HB2 ARG 113 -20.478 -22.194 -10.399 845 2HB ARG 113 HB1 ARG 113 -20.918 -20.530 -10.052 846 1HG ARG 113 HG2 ARG 113 -22.755 -21.577 -11.160 847 2HG ARG 113 HG1 ARG 113 -22.032 -20.422 -12.282 848 1HD ARG 113 HD2 ARG 113 -20.909 -22.193 -13.466 849 2HD ARG 113 HD1 ARG 113 -21.417 -23.380 -12.266 850 HE ARG 113 HE ARG 113 -23.038 -22.212 -14.387 851 1HH1 ARG 113 HH11 ARG 113 -22.960 -24.155 -11.471 852 2HH1 ARG 113 HH12 ARG 113 -24.449 -24.973 -11.823 853 1HH2 ARG 113 HH21 ARG 113 -25.000 -23.292 -14.848 854 2HH2 ARG 113 HH22 ARG 113 -25.605 -24.484 -13.742 855 H LYS 114 HN LYS 114 -19.461 -19.902 -13.946 856 HA LYS 114 HA LYS 114 -19.562 -17.065 -13.242 857 1HB LYS 114 HB2 LYS 114 -18.108 -18.064 -15.120 858 2HB LYS 114 HB1 LYS 114 -19.603 -18.184 -16.040 859 1HG LYS 114 HG2 LYS 114 -19.924 -15.818 -15.972 860 2HG LYS 114 HG1 LYS 114 -18.599 -15.618 -14.822 861 1HD LYS 114 HD2 LYS 114 -17.124 -16.669 -16.661 862 2HD LYS 114 HD1 LYS 114 -18.471 -16.313 -17.746 863 1HE LYS 114 HE2 LYS 114 -18.348 -13.963 -17.162 864 2HE LYS 114 HE1 LYS 114 -17.063 -14.287 -16.002 865 1HZ LYS 114 HZ1 LYS 114 -16.866 -14.762 -18.931 866 2HZ LYS 114 HZ2 LYS 114 -15.630 -14.997 -17.800 867 3HZ LYS 114 HZ3 LYS 114 -16.206 -13.439 -18.116 868 H ALA 115 HN ALA 115 -21.493 -16.265 -12.788 869 HA ALA 115 HA ALA 115 -23.767 -16.921 -14.516 870 1HB ALA 115 HB1 ALA 115 -23.942 -18.424 -12.593 871 2HB ALA 115 HB2 ALA 115 -25.241 -17.231 -12.587 872 3HB ALA 115 HB3 ALA 115 -23.865 -17.044 -11.498 873 H ARG 116 HN ARG 116 -24.995 -15.211 -14.990 874 HA ARG 116 HA ARG 116 -25.855 -13.116 -15.046 875 1HB ARG 116 HB2 ARG 116 -26.278 -13.854 -12.549 876 2HB ARG 116 HB1 ARG 116 -25.051 -12.650 -12.186 877 1HG ARG 116 HG2 ARG 116 -27.205 -11.644 -11.947 878 2HG ARG 116 HG1 ARG 116 -26.433 -10.961 -13.379 879 1HD ARG 116 HD2 ARG 116 -27.733 -12.468 -14.805 880 2HD ARG 116 HD1 ARG 116 -28.493 -13.172 -13.377 881 HE ARG 116 HE ARG 116 -28.805 -10.303 -13.691 882 1HH1 ARG 116 HH11 ARG 116 -30.190 -13.479 -14.212 883 2HH1 ARG 116 HH12 ARG 116 -31.807 -12.885 -14.402 884 1HH2 ARG 116 HH21 ARG 116 -30.926 -9.512 -13.945 885 2HH2 ARG 116 HH22 ARG 116 -32.227 -10.623 -14.243 886 H GLY 117 HN GLY 117 -22.897 -13.722 -15.346 887 1HA GLY 117 HA2 GLY 117 -21.271 -12.334 -16.315 888 2HA GLY 117 HA1 GLY 117 -22.018 -10.941 -15.552 889 H ARG 118 HN ARG 118 -21.992 -12.801 -13.021 890 HA ARG 118 HA ARG 118 -19.335 -11.896 -12.153 891 1HB ARG 118 HB2 ARG 118 -21.794 -12.707 -10.579 892 2HB ARG 118 HB1 ARG 118 -20.244 -12.348 -9.839 893 1HG ARG 118 HG2 ARG 118 -21.650 -10.440 -9.611 894 2HG ARG 118 HG1 ARG 118 -20.385 -10.052 -10.773 895 1HD ARG 118 HD2 ARG 118 -21.878 -10.193 -12.598 896 2HD ARG 118 HD1 ARG 118 -23.108 -11.005 -11.629 897 HE ARG 118 HE ARG 118 -23.756 -8.971 -10.744 898 1HH1 ARG 118 HH11 ARG 118 -20.879 -8.519 -12.714 899 2HH1 ARG 118 HH12 ARG 118 -21.037 -6.794 -12.746 900 1HH2 ARG 118 HH21 ARG 118 -23.953 -6.703 -10.821 901 2HH2 ARG 118 HH22 ARG 118 -22.764 -5.770 -11.674 902 H TRP 119 HN TRP 119 -18.001 -13.292 -10.884 903 HA TRP 119 HA TRP 119 -18.398 -16.149 -11.395 904 1HB TRP 119 HB2 TRP 119 -16.014 -14.493 -10.593 905 2HB TRP 119 HB1 TRP 119 -16.015 -16.238 -10.354 906 HD1 TRP 119 HD1 TRP 119 -15.537 -13.618 -13.019 907 HE1 TRP 119 HE1 TRP 119 -14.970 -14.781 -15.251 908 HE3 TRP 119 HE3 TRP 119 -16.622 -18.425 -11.720 909 HZ2 TRP 119 HZ2 TRP 119 -15.007 -17.388 -16.311 910 HZ3 TRP 119 HZ3 TRP 119 -16.342 -20.197 -13.401 911 HH2 TRP 119 HH2 TRP 119 -15.549 -19.686 -15.654 912 H TYR 120 HN TYR 120 -18.622 -17.635 -9.793 913 HA TYR 120 HA TYR 120 -18.757 -16.672 -7.013 914 1HB TYR 120 HB2 TYR 120 -20.751 -18.508 -8.380 915 2HB TYR 120 HB1 TYR 120 -20.763 -18.080 -6.674 916 HD1 TYR 120 HD1 TYR 120 -21.416 -15.810 -5.961 917 HD2 TYR 120 HD2 TYR 120 -21.541 -16.957 -10.063 918 HE1 TYR 120 HE1 TYR 120 -22.817 -13.853 -6.463 919 HE2 TYR 120 HE2 TYR 120 -22.940 -15.002 -10.569 920 HH TYR 120 HH TYR 120 -24.433 -13.468 -9.459 921 H PHE 121 HN PHE 121 -17.953 -18.070 -5.503 922 HA PHE 121 HA PHE 121 -16.242 -20.174 -6.349 923 1HB PHE 121 HB2 PHE 121 -15.564 -18.986 -4.429 924 2HB PHE 121 HB1 PHE 121 -17.138 -19.148 -3.658 925 HD1 PHE 121 HD1 PHE 121 -14.155 -21.091 -4.726 926 HD2 PHE 121 HD2 PHE 121 -17.548 -20.898 -2.156 927 HE1 PHE 121 HE1 PHE 121 -13.349 -23.066 -3.512 928 HE2 PHE 121 HE2 PHE 121 -16.744 -22.874 -0.937 929 HZ PHE 121 HZ PHE 121 -14.636 -23.961 -1.610 930 H SER 122 HN SER 122 -16.912 -22.120 -6.980 931 HA SER 122 HA SER 122 -19.511 -23.116 -6.126 932 1HB SER 122 HB2 SER 122 -17.542 -24.193 -8.164 933 2HB SER 122 HB1 SER 122 -19.143 -24.864 -7.850 934 HG SER 122 HG SER 122 -19.960 -22.713 -8.392 935 H GLU 123 HN GLU 123 -16.105 -24.178 -6.053 936 HA GLU 123 HA GLU 123 -16.303 -25.333 -3.511 937 1HB GLU 123 HB2 GLU 123 -16.164 -27.742 -4.078 938 2HB GLU 123 HB1 GLU 123 -17.709 -27.031 -4.524 939 1HG GLU 123 HG2 GLU 123 -16.878 -26.840 -6.865 940 2HG GLU 123 HG1 GLU 123 -15.426 -27.713 -6.371 941 H GLY 124 HN GLY 124 -14.330 -26.080 -2.751 942 1HA GLY 124 HA2 GLY 124 -12.068 -26.020 -4.656 943 2HA GLY 124 HA1 GLY 124 -11.997 -25.140 -3.132 944 H GLU 125 HN GLU 125 -10.418 -27.453 -4.235 945 HA GLU 125 HA GLU 125 -10.569 -29.110 -1.832 946 1HB GLU 125 HB2 GLU 125 -10.440 -31.190 -3.140 947 2HB GLU 125 HB1 GLU 125 -11.927 -30.312 -3.472 948 1HG GLU 125 HG2 GLU 125 -10.947 -29.448 -5.551 949 2HG GLU 125 HG1 GLU 125 -9.470 -30.355 -5.222 950 H ALA 126 HN ALA 126 -8.617 -30.001 -1.221 951 HA ALA 126 HA ALA 126 -6.285 -28.642 -2.120 952 1HB ALA 126 HB1 ALA 126 -5.095 -30.106 -0.517 953 2HB ALA 126 HB2 ALA 126 -6.590 -31.010 -0.266 954 3HB ALA 126 HB3 ALA 126 -6.497 -29.311 0.198 955 H VAL 127 HN VAL 127 -5.594 -29.059 -4.125 956 HA VAL 127 HA VAL 127 -5.545 -31.756 -5.190 957 HB VAL 127 HB VAL 127 -6.155 -29.917 -6.689 958 1HG1 VAL 127 HG11 VAL 127 -4.858 -28.129 -5.669 959 2HG1 VAL 127 HG12 VAL 127 -4.514 -28.243 -7.394 960 3HG1 VAL 127 HG13 VAL 127 -3.360 -28.879 -6.221 961 1HG2 VAL 127 HG21 VAL 127 -4.652 -30.434 -8.561 962 2HG2 VAL 127 HG22 VAL 127 -5.092 -31.890 -7.668 963 3HG2 VAL 127 HG23 VAL 127 -3.501 -31.162 -7.439 964 H ASP 128 HN ASP 128 -3.664 -32.887 -5.713 965 HA ASP 128 HA ASP 128 -1.534 -32.489 -3.829 966 1HB ASP 128 HB2 ASP 128 -2.396 -34.739 -4.358 967 2HB ASP 128 HB1 ASP 128 -1.843 -34.561 -6.021 Start of MODEL 12 1 1H MET 1 HT1 MET 1 0.633 0.166 0.292 2 2H MET 1 HT2 MET 1 -0.679 1.100 -0.214 3 3H MET 1 HT3 MET 1 0.697 1.850 0.416 4 HA MET 1 HA MET 1 0.632 2.075 -1.967 5 1HB MET 1 HB2 MET 1 2.815 1.917 -0.827 6 2HB MET 1 HB1 MET 1 2.784 0.168 -1.004 7 1HG MET 1 HG2 MET 1 2.817 0.434 -3.452 8 2HG MET 1 HG1 MET 1 2.901 2.183 -3.245 9 1HE MET 1 HE1 MET 1 4.751 -1.243 -2.812 10 2HE MET 1 HE2 MET 1 4.672 -0.664 -1.148 11 3HE MET 1 HE3 MET 1 6.227 -0.761 -1.975 12 H ASN 2 HN ASN 2 0.990 -1.347 -1.018 13 HA ASN 2 HA ASN 2 -0.001 -2.123 -3.682 14 1HB ASN 2 HB2 ASN 2 1.088 -4.309 -3.252 15 2HB ASN 2 HB1 ASN 2 2.228 -2.972 -3.216 16 1HD2 ASN 2 HD21 ASN 2 3.737 -3.982 -1.981 17 2HD2 ASN 2 HD22 ASN 2 3.496 -4.395 -0.320 18 H CYS 3 HN CYS 3 -0.587 -4.848 -2.851 19 HA CYS 3 HA CYS 3 -2.841 -4.514 -1.007 20 1HB CYS 3 HB2 CYS 3 -3.445 -4.105 -3.533 21 2HB CYS 3 HB1 CYS 3 -3.305 -5.858 -3.661 22 H VAL 4 HN VAL 4 -3.222 -6.360 0.176 23 HA VAL 4 HA VAL 4 -1.452 -8.573 -0.043 24 HB VAL 4 HB VAL 4 -2.966 -9.692 1.624 25 1HG1 VAL 4 HG11 VAL 4 -2.391 -8.170 3.454 26 2HG1 VAL 4 HG12 VAL 4 -2.075 -6.882 2.289 27 3HG1 VAL 4 HG13 VAL 4 -1.059 -8.324 2.306 28 1HG2 VAL 4 HG21 VAL 4 -4.754 -8.359 2.652 29 2HG2 VAL 4 HG22 VAL 4 -5.082 -8.666 0.946 30 3HG2 VAL 4 HG23 VAL 4 -4.493 -7.086 1.459 31 H CYS 5 HN CYS 5 -1.691 -9.068 -2.223 32 HA CYS 5 HA CYS 5 -3.600 -11.123 -2.818 33 1HB CYS 5 HB2 CYS 5 -3.701 -8.529 -4.378 34 2HB CYS 5 HB1 CYS 5 -4.507 -10.018 -4.855 35 H GLY 6 HN GLY 6 -3.161 -12.050 -5.052 36 1HA GLY 6 HA2 GLY 6 -0.391 -11.923 -5.822 37 2HA GLY 6 HA1 GLY 6 -1.677 -12.773 -6.675 38 H SER 7 HN SER 7 -1.128 -9.383 -5.813 39 HA SER 7 HA SER 7 -0.961 -8.427 -8.484 40 1HB SER 7 HB2 SER 7 -3.517 -7.778 -6.965 41 2HB SER 7 HB1 SER 7 -3.082 -7.233 -8.585 42 HG SER 7 HG SER 7 -2.993 -9.664 -8.984 43 H GLY 8 HN GLY 8 0.688 -7.089 -7.947 44 1HA GLY 8 HA2 GLY 8 1.057 -5.883 -5.431 45 2HA GLY 8 HA1 GLY 8 1.917 -5.466 -6.902 46 H LYS 9 HN LYS 9 -1.216 -5.031 -7.689 47 HA LYS 9 HA LYS 9 -1.098 -2.231 -7.726 48 1HB LYS 9 HB2 LYS 9 -3.565 -3.984 -7.871 49 2HB LYS 9 HB1 LYS 9 -3.449 -2.308 -8.401 50 1HG LYS 9 HG2 LYS 9 -1.603 -3.120 -9.960 51 2HG LYS 9 HG1 LYS 9 -2.177 -4.747 -9.603 52 1HD LYS 9 HD2 LYS 9 -3.907 -2.524 -10.702 53 2HD LYS 9 HD1 LYS 9 -3.118 -3.748 -11.695 54 1HE LYS 9 HE2 LYS 9 -4.371 -5.501 -10.540 55 2HE LYS 9 HE1 LYS 9 -5.150 -4.284 -9.526 56 1HZ LYS 9 HZ1 LYS 9 -6.508 -5.023 -11.440 57 2HZ LYS 9 HZ2 LYS 9 -5.359 -4.352 -12.484 58 3HZ LYS 9 HZ3 LYS 9 -6.220 -3.357 -11.426 59 H THR 10 HN THR 10 -2.762 -0.796 -6.715 60 HA THR 10 HA THR 10 -2.420 -0.853 -3.902 61 HB THR 10 HB THR 10 -3.697 1.213 -3.885 62 HG1 THR 10 HG1 THR 10 -4.523 1.811 -6.153 63 1HG2 THR 10 HG21 THR 10 -2.470 2.530 -5.549 64 2HG2 THR 10 HG22 THR 10 -2.020 1.051 -6.397 65 3HG2 THR 10 HG23 THR 10 -1.407 1.357 -4.772 66 H TYR 11 HN TYR 11 -4.543 -0.191 -2.572 67 HA TYR 11 HA TYR 11 -6.256 -2.403 -2.395 68 1HB TYR 11 HB2 TYR 11 -5.963 -0.878 -0.513 69 2HB TYR 11 HB1 TYR 11 -6.663 0.448 -1.437 70 HD1 TYR 11 HD2 TYR 11 -7.501 -2.950 -0.126 71 HD2 TYR 11 HD1 TYR 11 -8.956 0.895 -1.243 72 HE1 TYR 11 HE2 TYR 11 -9.728 -3.551 0.717 73 HE2 TYR 11 HE1 TYR 11 -11.189 0.298 -0.401 74 HH TYR 11 HH TYR 11 -11.753 -2.389 1.563 75 H ASP 12 HN ASP 12 -6.883 0.858 -3.707 76 HA ASP 12 HA ASP 12 -9.457 0.207 -4.695 77 1HB ASP 12 HB2 ASP 12 -9.368 2.377 -5.855 78 2HB ASP 12 HB1 ASP 12 -8.871 2.514 -4.174 79 H ASP 13 HN ASP 13 -6.308 0.563 -6.358 80 HA ASP 13 HA ASP 13 -7.253 0.078 -8.951 81 1HB ASP 13 HB2 ASP 13 -4.537 -0.277 -7.696 82 2HB ASP 13 HB1 ASP 13 -4.823 -0.734 -9.371 83 H CYS 14 HN CYS 14 -6.752 -2.100 -6.342 84 HA CYS 14 HA CYS 14 -7.153 -4.374 -8.175 85 1HB CYS 14 HB2 CYS 14 -5.157 -4.809 -7.062 86 2HB CYS 14 HB1 CYS 14 -5.736 -4.171 -5.534 87 H CYS 15 HN CYS 15 -7.874 -4.041 -4.673 88 HA CYS 15 HA CYS 15 -10.208 -5.681 -5.024 89 1HB CYS 15 HB2 CYS 15 -8.971 -4.347 -2.627 90 2HB CYS 15 HB1 CYS 15 -10.524 -5.172 -2.524 91 H GLY 16 HN GLY 16 -9.694 -2.298 -5.146 92 1HA GLY 16 HA2 GLY 16 -11.779 -1.226 -3.699 93 2HA GLY 16 HA1 GLY 16 -11.092 -0.483 -5.130 94 HA PRO 17 HA PRO 17 -14.709 -1.181 -7.537 95 1HB PRO 17 HB2 PRO 17 -14.141 -2.959 -9.558 96 2HB PRO 17 HB1 PRO 17 -13.634 -1.268 -9.556 97 1HG PRO 17 HG2 PRO 17 -12.077 -3.715 -8.822 98 2HG PRO 17 HG1 PRO 17 -11.560 -2.293 -9.746 99 1HD PRO 17 HD2 PRO 17 -10.902 -2.634 -7.152 100 2HD PRO 17 HD1 PRO 17 -11.208 -1.027 -7.843 101 H LEU 18 HN LEU 18 -13.204 -4.183 -6.534 102 HA LEU 18 HA LEU 18 -15.521 -5.817 -6.969 103 1HB LEU 18 HB2 LEU 18 -12.938 -6.290 -5.475 104 2HB LEU 18 HB1 LEU 18 -14.219 -7.484 -5.541 105 HG LEU 18 HG LEU 18 -12.638 -8.128 -7.180 106 1HD1 LEU 18 HD11 LEU 18 -13.877 -7.989 -9.265 107 2HD1 LEU 18 HD12 LEU 18 -14.862 -6.678 -8.616 108 3HD1 LEU 18 HD13 LEU 18 -14.962 -8.292 -7.909 109 1HD2 LEU 18 HD21 LEU 18 -12.720 -5.315 -8.272 110 2HD2 LEU 18 HD22 LEU 18 -11.797 -6.666 -8.933 111 3HD2 LEU 18 HD23 LEU 18 -11.401 -6.023 -7.339 112 H LEU 19 HN LEU 19 -13.930 -4.508 -4.064 113 HA LEU 19 HA LEU 19 -15.960 -5.476 -2.299 114 1HB LEU 19 HB2 LEU 19 -13.502 -3.825 -2.037 115 2HB LEU 19 HB1 LEU 19 -14.710 -3.642 -0.780 116 HG LEU 19 HG LEU 19 -13.646 -6.361 -1.557 117 1HD1 LEU 19 HD11 LEU 19 -12.557 -4.518 0.579 118 2HD1 LEU 19 HD12 LEU 19 -11.729 -4.980 -0.909 119 3HD1 LEU 19 HD13 LEU 19 -12.082 -6.197 0.316 120 1HD2 LEU 19 HD21 LEU 19 -15.736 -6.303 -0.292 121 2HD2 LEU 19 HD22 LEU 19 -14.966 -5.315 0.950 122 3HD2 LEU 19 HD23 LEU 19 -14.421 -6.970 0.676 123 H ALA 20 HN ALA 20 -15.541 -2.599 -4.181 124 HA ALA 20 HA ALA 20 -17.505 -1.022 -2.826 125 1HB ALA 20 HB1 ALA 20 -17.452 0.404 -4.814 126 2HB ALA 20 HB2 ALA 20 -16.520 -0.820 -5.678 127 3HB ALA 20 HB3 ALA 20 -15.819 0.000 -4.283 128 H ARG 21 HN ARG 21 -17.678 -3.782 -4.738 129 HA ARG 21 HA ARG 21 -19.394 -5.050 -5.508 130 1HB ARG 21 HB2 ARG 21 -21.174 -3.068 -4.063 131 2HB ARG 21 HB1 ARG 21 -21.644 -4.673 -4.609 132 1HG ARG 21 HG2 ARG 21 -19.498 -4.126 -2.560 133 2HG ARG 21 HG1 ARG 21 -21.170 -4.533 -2.175 134 1HD ARG 21 HD2 ARG 21 -19.505 -6.322 -3.926 135 2HD ARG 21 HD1 ARG 21 -19.391 -6.410 -2.169 136 HE ARG 21 HE ARG 21 -21.790 -6.922 -2.149 137 1HH1 ARG 21 HH11 ARG 21 -20.055 -7.414 -5.163 138 2HH1 ARG 21 HH12 ARG 21 -21.157 -8.627 -5.734 139 1HH2 ARG 21 HH21 ARG 21 -23.197 -8.517 -2.882 140 2HH2 ARG 21 HH22 ARG 21 -22.948 -9.254 -4.435 141 H THR 22 HN THR 22 -18.570 -2.309 -6.749 142 HA THR 22 HA THR 22 -20.933 -1.640 -8.303 143 HB THR 22 HB THR 22 -19.543 0.172 -7.373 144 HG1 THR 22 HG1 THR 22 -19.421 1.377 -9.316 145 1HG2 THR 22 HG21 THR 22 -17.403 -0.827 -9.266 146 2HG2 THR 22 HG22 THR 22 -17.343 -0.896 -7.504 147 3HG2 THR 22 HG23 THR 22 -17.334 0.664 -8.326 148 H ARG 23 HN ARG 23 -17.833 -3.227 -8.716 149 HA ARG 23 HA ARG 23 -18.443 -3.625 -11.577 150 1HB ARG 23 HB2 ARG 23 -16.557 -2.112 -11.356 151 2HB ARG 23 HB1 ARG 23 -15.754 -3.216 -10.249 152 1HG ARG 23 HG2 ARG 23 -15.484 -4.852 -12.028 153 2HG ARG 23 HG1 ARG 23 -16.351 -3.798 -13.148 154 1HD ARG 23 HD2 ARG 23 -14.583 -2.089 -12.856 155 2HD ARG 23 HD1 ARG 23 -13.707 -3.207 -11.807 156 HE ARG 23 HE ARG 23 -14.119 -4.609 -14.117 157 1HH1 ARG 23 HH11 ARG 23 -12.531 -1.591 -13.304 158 2HH1 ARG 23 HH12 ARG 23 -11.472 -1.640 -14.677 159 1HH2 ARG 23 HH21 ARG 23 -12.719 -4.687 -15.888 160 2HH2 ARG 23 HH22 ARG 23 -11.579 -3.406 -16.154 161 H SER 24 HN SER 24 -18.195 -5.644 -12.410 162 HA SER 24 HA SER 24 -17.804 -7.850 -10.563 163 1HB SER 24 HB2 SER 24 -18.333 -9.224 -12.645 164 2HB SER 24 HB1 SER 24 -19.613 -8.137 -12.106 165 HG SER 24 HG SER 24 -18.491 -8.234 -14.484 166 H ALA 25 HN ALA 25 -16.105 -9.284 -10.627 167 HA ALA 25 HA ALA 25 -13.577 -8.351 -11.236 168 1HB ALA 25 HB1 ALA 25 -14.003 -10.137 -9.638 169 2HB ALA 25 HB2 ALA 25 -12.803 -10.637 -10.828 170 3HB ALA 25 HB3 ALA 25 -14.463 -11.222 -10.951 171 H ALA 26 HN ALA 26 -15.776 -10.218 -13.236 172 HA ALA 26 HA ALA 26 -15.746 -10.859 -15.415 173 1HB ALA 26 HB1 ALA 26 -14.644 -9.369 -17.007 174 2HB ALA 26 HB2 ALA 26 -13.737 -8.618 -15.694 175 3HB ALA 26 HB3 ALA 26 -15.491 -8.443 -15.766 176 H SER 27 HN SER 27 -13.790 -12.014 -13.491 177 HA SER 27 HA SER 27 -12.368 -13.705 -15.246 178 1HB SER 27 HB2 SER 27 -10.910 -11.756 -15.545 179 2HB SER 27 HB1 SER 27 -10.728 -11.595 -13.801 180 HG SER 27 HG SER 27 -8.953 -12.663 -14.789 181 HA PRO 28 HA PRO 28 -12.819 -16.120 -11.540 182 1HB PRO 28 HB2 PRO 28 -10.910 -18.049 -12.052 183 2HB PRO 28 HB1 PRO 28 -12.533 -18.045 -12.750 184 1HG PRO 28 HG2 PRO 28 -9.954 -17.098 -13.948 185 2HG PRO 28 HG1 PRO 28 -11.266 -18.025 -14.702 186 1HD PRO 28 HD2 PRO 28 -10.992 -15.387 -15.125 187 2HD PRO 28 HD1 PRO 28 -12.595 -16.140 -14.999 188 H GLU 29 HN GLU 29 -9.423 -15.664 -12.564 189 HA GLU 29 HA GLU 29 -8.264 -15.856 -10.020 190 1HB GLU 29 HB2 GLU 29 -6.339 -14.652 -11.006 191 2HB GLU 29 HB1 GLU 29 -6.912 -15.951 -12.047 192 1HG GLU 29 HG2 GLU 29 -7.985 -14.414 -13.513 193 2HG GLU 29 HG1 GLU 29 -7.715 -13.073 -12.403 194 H ALA 30 HN ALA 30 -9.621 -13.123 -11.780 195 HA ALA 30 HA ALA 30 -8.783 -11.052 -10.090 196 1HB ALA 30 HB1 ALA 30 -11.260 -11.188 -11.809 197 2HB ALA 30 HB2 ALA 30 -9.664 -10.645 -12.327 198 3HB ALA 30 HB3 ALA 30 -10.561 -9.722 -11.123 199 H LEU 31 HN LEU 31 -11.657 -13.077 -10.060 200 HA LEU 31 HA LEU 31 -12.925 -11.845 -7.847 201 1HB LEU 31 HB2 LEU 31 -13.858 -13.496 -9.623 202 2HB LEU 31 HB1 LEU 31 -13.200 -14.757 -8.603 203 HG LEU 31 HG LEU 31 -15.634 -14.376 -8.286 204 1HD1 LEU 31 HD11 LEU 31 -15.641 -14.368 -5.855 205 2HD1 LEU 31 HD12 LEU 31 -13.985 -13.761 -5.838 206 3HD1 LEU 31 HD13 LEU 31 -14.329 -15.367 -6.482 207 1HD2 LEU 31 HD21 LEU 31 -15.687 -11.973 -8.675 208 2HD2 LEU 31 HD22 LEU 31 -14.782 -11.698 -7.185 209 3HD2 LEU 31 HD23 LEU 31 -16.410 -12.376 -7.117 210 H MET 32 HN MET 32 -10.621 -14.499 -8.201 211 HA MET 32 HA MET 32 -10.835 -15.477 -5.570 212 1HB MET 32 HB2 MET 32 -9.955 -16.943 -7.218 213 2HB MET 32 HB1 MET 32 -8.683 -15.806 -7.658 214 1HG MET 32 HG2 MET 32 -7.940 -17.759 -6.272 215 2HG MET 32 HG1 MET 32 -7.523 -16.173 -5.617 216 1HE MET 32 HE1 MET 32 -8.144 -17.658 -2.183 217 2HE MET 32 HE2 MET 32 -7.260 -16.462 -3.131 218 3HE MET 32 HE3 MET 32 -7.113 -18.177 -3.516 219 H ARG 33 HN ARG 33 -8.325 -13.288 -6.983 220 HA ARG 33 HA ARG 33 -6.906 -13.290 -4.497 221 1HB ARG 33 HB2 ARG 33 -5.293 -11.905 -5.435 222 2HB ARG 33 HB1 ARG 33 -5.867 -12.843 -6.798 223 1HG ARG 33 HG2 ARG 33 -6.857 -10.061 -6.206 224 2HG ARG 33 HG1 ARG 33 -5.434 -10.384 -7.194 225 1HD ARG 33 HD2 ARG 33 -7.052 -11.947 -8.514 226 2HD ARG 33 HD1 ARG 33 -8.311 -10.974 -7.752 227 HE ARG 33 HE ARG 33 -7.378 -9.029 -8.858 228 1HH1 ARG 33 HH11 ARG 33 -6.258 -12.144 -10.019 229 2HH1 ARG 33 HH12 ARG 33 -5.801 -11.550 -11.583 230 1HH2 ARG 33 HH21 ARG 33 -6.785 -8.241 -10.924 231 2HH2 ARG 33 HH22 ARG 33 -6.103 -9.330 -12.094 232 H SER 34 HN SER 34 -9.489 -11.404 -5.776 233 HA SER 34 HA SER 34 -9.292 -9.303 -3.826 234 1HB SER 34 HB2 SER 34 -11.655 -10.184 -5.517 235 2HB SER 34 HB1 SER 34 -11.529 -8.665 -4.626 236 HG SER 34 HG SER 34 -10.641 -9.232 -7.077 237 H ARG 35 HN ARG 35 -11.058 -12.339 -4.163 238 HA ARG 35 HA ARG 35 -12.622 -12.239 -1.846 239 1HB ARG 35 HB2 ARG 35 -12.896 -13.912 -3.653 240 2HB ARG 35 HB1 ARG 35 -11.372 -14.658 -3.191 241 1HG ARG 35 HG2 ARG 35 -12.332 -15.237 -1.003 242 2HG ARG 35 HG1 ARG 35 -13.863 -14.511 -1.493 243 1HD ARG 35 HD2 ARG 35 -13.955 -16.921 -1.760 244 2HD ARG 35 HD1 ARG 35 -14.027 -16.136 -3.337 245 HE ARG 35 HE ARG 35 -11.491 -16.642 -3.335 246 1HH1 ARG 35 HH11 ARG 35 -13.965 -18.720 -1.966 247 2HH1 ARG 35 HH12 ARG 35 -13.049 -20.175 -2.214 248 1HH2 ARG 35 HH21 ARG 35 -10.307 -18.573 -3.661 249 2HH2 ARG 35 HH22 ARG 35 -10.990 -20.091 -3.166 250 H TYR 36 HN TYR 36 -9.332 -13.449 -2.374 251 HA TYR 36 HA TYR 36 -8.802 -14.375 0.217 252 1HB TYR 36 HB2 TYR 36 -7.309 -14.961 -1.578 253 2HB TYR 36 HB1 TYR 36 -6.963 -13.269 -1.919 254 HD1 TYR 36 HD1 TYR 36 -6.512 -15.927 0.650 255 HD2 TYR 36 HD2 TYR 36 -5.159 -12.173 -0.846 256 HE1 TYR 36 HE1 TYR 36 -4.575 -16.026 2.158 257 HE2 TYR 36 HE2 TYR 36 -3.217 -12.269 0.659 258 HH TYR 36 HH TYR 36 -2.552 -13.355 2.753 259 H ALA 37 HN ALA 37 -8.312 -11.190 -1.253 260 HA ALA 37 HA ALA 37 -7.014 -9.967 0.911 261 1HB ALA 37 HB1 ALA 37 -7.631 -7.844 -0.135 262 2HB ALA 37 HB2 ALA 37 -8.772 -8.687 -1.185 263 3HB ALA 37 HB3 ALA 37 -7.041 -8.998 -1.331 264 H ALA 38 HN ALA 38 -10.442 -10.326 0.133 265 HA ALA 38 HA ALA 38 -11.455 -8.669 2.170 266 1HB ALA 38 HB1 ALA 38 -13.572 -9.905 1.848 267 2HB ALA 38 HB2 ALA 38 -12.713 -11.055 0.822 268 3HB ALA 38 HB3 ALA 38 -12.850 -9.369 0.331 269 H TYR 39 HN TYR 39 -10.527 -12.091 2.146 270 HA TYR 39 HA TYR 39 -11.359 -12.734 4.757 271 1HB TYR 39 HB2 TYR 39 -9.426 -13.880 2.814 272 2HB TYR 39 HB1 TYR 39 -9.152 -14.297 4.502 273 HD1 TYR 39 HD2 TYR 39 -11.586 -14.499 1.726 274 HD2 TYR 39 HD1 TYR 39 -10.587 -15.823 5.644 275 HE1 TYR 39 HE2 TYR 39 -13.338 -16.209 1.595 276 HE2 TYR 39 HE1 TYR 39 -12.335 -17.545 5.517 277 HH TYR 39 HH TYR 39 -13.876 -18.391 2.617 278 H ALA 40 HN ALA 40 -8.379 -11.309 3.514 279 HA ALA 40 HA ALA 40 -7.053 -11.144 6.033 280 1HB ALA 40 HB1 ALA 40 -5.820 -11.137 3.916 281 2HB ALA 40 HB2 ALA 40 -5.457 -9.696 4.866 282 3HB ALA 40 HB3 ALA 40 -6.552 -9.589 3.488 283 H LEU 41 HN LEU 41 -9.450 -9.260 4.440 284 HA LEU 41 HA LEU 41 -9.144 -7.009 6.295 285 1HB LEU 41 HB2 LEU 41 -11.039 -7.399 3.965 286 2HB LEU 41 HB1 LEU 41 -10.902 -5.938 4.927 287 HG LEU 41 HG LEU 41 -8.750 -7.089 3.139 288 1HD1 LEU 41 HD11 LEU 41 -10.465 -4.626 2.831 289 2HD1 LEU 41 HD12 LEU 41 -10.584 -6.108 1.881 290 3HD1 LEU 41 HD13 LEU 41 -9.140 -5.102 1.768 291 1HD2 LEU 41 HD21 LEU 41 -7.777 -5.987 5.083 292 2HD2 LEU 41 HD22 LEU 41 -8.759 -4.554 4.782 293 3HD2 LEU 41 HD23 LEU 41 -7.514 -5.029 3.627 294 H LYS 42 HN LYS 42 -10.159 -9.849 6.804 295 HA LYS 42 HA LYS 42 -11.728 -10.980 7.932 296 1HB LYS 42 HB2 LYS 42 -12.509 -9.946 10.041 297 2HB LYS 42 HB1 LYS 42 -10.783 -9.814 9.789 298 1HG LYS 42 HG2 LYS 42 -11.405 -7.761 10.705 299 2HG LYS 42 HG1 LYS 42 -11.237 -7.432 8.984 300 1HD LYS 42 HD2 LYS 42 -13.222 -6.335 9.870 301 2HD LYS 42 HD1 LYS 42 -13.684 -7.595 8.725 302 1HE LYS 42 HE2 LYS 42 -15.145 -7.650 10.664 303 2HE LYS 42 HE1 LYS 42 -14.159 -9.110 10.613 304 1HZ LYS 42 HZ1 LYS 42 -14.288 -8.203 12.843 305 2HZ LYS 42 HZ2 LYS 42 -13.643 -6.731 12.315 306 3HZ LYS 42 HZ3 LYS 42 -12.697 -8.133 12.272 307 H ASP 43 HN ASP 43 -12.750 -9.307 5.621 308 HA ASP 43 HA ASP 43 -15.547 -8.980 6.413 309 1HB ASP 43 HB2 ASP 43 -14.447 -7.230 5.002 310 2HB ASP 43 HB1 ASP 43 -14.270 -8.421 3.719 311 H PHE 44 HN PHE 44 -15.895 -11.202 6.797 312 HA PHE 44 HA PHE 44 -15.587 -13.177 4.754 313 1HB PHE 44 HB2 PHE 44 -16.847 -14.650 6.297 314 2HB PHE 44 HB1 PHE 44 -15.509 -13.833 7.093 315 HD1 PHE 44 HD2 PHE 44 -15.949 -11.985 8.677 316 HD2 PHE 44 HD1 PHE 44 -19.118 -14.257 6.961 317 HE1 PHE 44 HE2 PHE 44 -17.479 -11.152 10.407 318 HE2 PHE 44 HE1 PHE 44 -20.653 -13.418 8.691 319 HZ PHE 44 HZ PHE 44 -19.835 -11.865 10.415 320 H ASP 45 HN ASP 45 -18.068 -10.908 5.574 321 HA ASP 45 HA ASP 45 -20.279 -12.336 4.505 322 1HB ASP 45 HB2 ASP 45 -20.524 -10.473 6.124 323 2HB ASP 45 HB1 ASP 45 -19.990 -9.343 4.884 324 H TYR 46 HN TYR 46 -18.029 -9.954 3.130 325 HA TYR 46 HA TYR 46 -19.246 -9.698 0.608 326 1HB TYR 46 HB2 TYR 46 -17.451 -8.185 1.204 327 2HB TYR 46 HB1 TYR 46 -16.313 -9.520 1.373 328 HD1 TYR 46 HD1 TYR 46 -18.568 -7.969 -1.172 329 HD2 TYR 46 HD2 TYR 46 -14.906 -10.013 -0.427 330 HE1 TYR 46 HE1 TYR 46 -17.961 -7.740 -3.540 331 HE2 TYR 46 HE2 TYR 46 -14.292 -9.785 -2.798 332 HH TYR 46 HH TYR 46 -16.065 -7.767 -4.959 333 H ILE 47 HN ILE 47 -17.083 -12.121 1.926 334 HA ILE 47 HA ILE 47 -16.442 -13.530 -0.410 335 HB ILE 47 HB ILE 47 -16.918 -14.758 2.318 336 1HG1 ILE 47 HG12 ILE 47 -15.431 -12.858 2.585 337 2HG1 ILE 47 HG11 ILE 47 -14.497 -14.343 2.720 338 1HG2 ILE 47 HG21 ILE 47 -15.256 -16.413 1.598 339 2HG2 ILE 47 HG22 ILE 47 -15.145 -15.617 0.028 340 3HG2 ILE 47 HG23 ILE 47 -16.654 -16.385 0.521 341 1HD1 ILE 47 HD11 ILE 47 -14.637 -12.530 0.323 342 2HD1 ILE 47 HD12 ILE 47 -13.748 -14.051 0.398 343 3HD1 ILE 47 HD13 ILE 47 -13.287 -12.710 1.442 344 H VAL 48 HN VAL 48 -19.003 -14.072 1.955 345 HA VAL 48 HA VAL 48 -20.377 -16.133 0.728 346 HB VAL 48 HB VAL 48 -21.601 -13.850 2.306 347 1HG1 VAL 48 HG11 VAL 48 -22.589 -16.666 1.841 348 2HG1 VAL 48 HG12 VAL 48 -23.286 -15.190 1.171 349 3HG1 VAL 48 HG13 VAL 48 -23.338 -15.479 2.910 350 1HG2 VAL 48 HG21 VAL 48 -19.749 -14.870 3.531 351 2HG2 VAL 48 HG22 VAL 48 -20.453 -16.469 3.289 352 3HG2 VAL 48 HG23 VAL 48 -21.294 -15.276 4.281 353 H GLU 49 HN GLU 49 -20.608 -12.635 0.142 354 HA GLU 49 HA GLU 49 -22.823 -12.695 -1.603 355 1HB GLU 49 HB2 GLU 49 -20.524 -10.730 -1.454 356 2HB GLU 49 HB1 GLU 49 -21.966 -10.490 -2.433 357 1HG GLU 49 HG2 GLU 49 -23.325 -10.596 -0.353 358 2HG GLU 49 HG1 GLU 49 -21.825 -10.671 0.572 359 H THR 50 HN THR 50 -19.372 -13.123 -2.164 360 HA THR 50 HA THR 50 -19.760 -13.228 -5.057 361 HB THR 50 HB THR 50 -17.201 -13.586 -5.008 362 HG1 THR 50 HG1 THR 50 -17.508 -12.539 -2.375 363 1HG2 THR 50 HG21 THR 50 -18.367 -11.001 -3.952 364 2HG2 THR 50 HG22 THR 50 -18.260 -11.469 -5.651 365 3HG2 THR 50 HG23 THR 50 -16.789 -11.185 -4.719 366 H THR 51 HN THR 51 -20.605 -15.328 -2.979 367 HA THR 51 HA THR 51 -19.227 -17.659 -4.094 368 HB THR 51 HB THR 51 -21.271 -17.498 -1.859 369 HG1 THR 51 HG1 THR 51 -19.053 -16.569 -1.571 370 1HG2 THR 51 HG21 THR 51 -20.595 -19.799 -1.353 371 2HG2 THR 51 HG22 THR 51 -19.511 -19.796 -2.745 372 3HG2 THR 51 HG23 THR 51 -21.254 -19.690 -2.987 373 H ASP 52 HN ASP 52 -20.377 -19.340 -5.087 374 HA ASP 52 HA ASP 52 -22.239 -18.759 -7.011 375 1HB ASP 52 HB2 ASP 52 -20.862 -20.907 -6.664 376 2HB ASP 52 HB1 ASP 52 -22.155 -21.425 -5.596 377 HA PRO 53 HA PRO 53 -25.998 -17.840 -4.811 378 1HB PRO 53 HB2 PRO 53 -27.721 -18.832 -6.810 379 2HB PRO 53 HB1 PRO 53 -27.128 -17.176 -6.663 380 1HG PRO 53 HG2 PRO 53 -26.130 -19.402 -8.377 381 2HG PRO 53 HG1 PRO 53 -26.198 -17.662 -8.716 382 1HD PRO 53 HD2 PRO 53 -23.891 -18.875 -8.100 383 2HD PRO 53 HD1 PRO 53 -24.244 -17.233 -7.524 384 H GLU 54 HN GLU 54 -25.373 -21.013 -6.204 385 HA GLU 54 HA GLU 54 -27.413 -22.350 -4.666 386 1HB GLU 54 HB2 GLU 54 -25.035 -23.504 -6.151 387 2HB GLU 54 HB1 GLU 54 -26.399 -24.421 -5.525 388 1HG GLU 54 HG2 GLU 54 -26.477 -22.356 -7.720 389 2HG GLU 54 HG1 GLU 54 -26.616 -24.103 -7.911 390 H ARG 55 HN ARG 55 -23.954 -21.764 -4.382 391 HA ARG 55 HA ARG 55 -23.638 -23.530 -2.108 392 1HB ARG 55 HB2 ARG 55 -21.741 -21.556 -3.398 393 2HB ARG 55 HB1 ARG 55 -21.306 -22.622 -2.071 394 1HG ARG 55 HG2 ARG 55 -22.196 -23.503 -4.811 395 2HG ARG 55 HG1 ARG 55 -20.533 -23.472 -4.221 396 1HD ARG 55 HD2 ARG 55 -22.806 -25.188 -3.234 397 2HD ARG 55 HD1 ARG 55 -21.336 -25.716 -4.050 398 HE ARG 55 HE ARG 55 -21.644 -25.043 -1.253 399 1HH1 ARG 55 HH11 ARG 55 -19.356 -25.431 -3.877 400 2HH1 ARG 55 HH12 ARG 55 -18.045 -25.880 -2.833 401 1HH2 ARG 55 HH21 ARG 55 -19.909 -25.628 0.128 402 2HH2 ARG 55 HH22 ARG 55 -18.357 -25.981 -0.561 403 H ARG 56 HN ARG 56 -24.318 -20.199 -2.661 404 HA ARG 56 HA ARG 56 -23.189 -19.060 -0.358 405 1HB ARG 56 HB2 ARG 56 -23.908 -17.765 -2.334 406 2HB ARG 56 HB1 ARG 56 -25.588 -18.118 -1.949 407 1HG ARG 56 HG2 ARG 56 -25.462 -16.838 0.075 408 2HG ARG 56 HG1 ARG 56 -23.720 -16.627 -0.112 409 1HD ARG 56 HD2 ARG 56 -24.869 -14.606 -0.774 410 2HD ARG 56 HD1 ARG 56 -24.115 -15.353 -2.180 411 HE ARG 56 HE ARG 56 -26.986 -15.698 -1.582 412 1HH1 ARG 56 HH11 ARG 56 -24.405 -14.898 -3.817 413 2HH1 ARG 56 HH12 ARG 56 -25.478 -14.655 -5.159 414 1HH2 ARG 56 HH21 ARG 56 -28.390 -15.373 -3.358 415 2HH2 ARG 56 HH22 ARG 56 -27.730 -14.912 -4.896 416 H ASP 57 HN ASP 57 -26.306 -20.558 -0.955 417 HA ASP 57 HA ASP 57 -27.592 -19.856 1.444 418 1HB ASP 57 HB2 ASP 57 -28.803 -20.820 -0.455 419 2HB ASP 57 HB1 ASP 57 -27.925 -22.336 -0.271 420 H LEU 58 HN LEU 58 -25.083 -22.114 0.764 421 HA LEU 58 HA LEU 58 -25.473 -23.646 3.214 422 1HB LEU 58 HB2 LEU 58 -23.320 -23.858 1.101 423 2HB LEU 58 HB1 LEU 58 -23.596 -24.998 2.406 424 HG LEU 58 HG LEU 58 -25.526 -24.443 0.141 425 1HD1 LEU 58 HD11 LEU 58 -23.706 -26.803 0.624 426 2HD1 LEU 58 HD12 LEU 58 -23.525 -25.588 -0.642 427 3HD1 LEU 58 HD13 LEU 58 -24.914 -26.674 -0.656 428 1HD2 LEU 58 HD21 LEU 58 -26.732 -26.408 0.993 429 2HD2 LEU 58 HD22 LEU 58 -26.684 -25.104 2.179 430 3HD2 LEU 58 HD23 LEU 58 -25.617 -26.497 2.358 431 H PHE 59 HN PHE 59 -23.852 -20.840 2.247 432 HA PHE 59 HA PHE 59 -21.509 -21.155 3.882 433 1HB PHE 59 HB2 PHE 59 -22.591 -19.041 2.087 434 2HB PHE 59 HB1 PHE 59 -21.477 -18.521 3.348 435 HD1 PHE 59 HD1 PHE 59 -21.404 -21.738 1.480 436 HD2 PHE 59 HD2 PHE 59 -19.593 -17.930 2.097 437 HE1 PHE 59 HE1 PHE 59 -19.486 -22.430 0.103 438 HE2 PHE 59 HE2 PHE 59 -17.673 -18.619 0.725 439 HZ PHE 59 HZ PHE 59 -17.617 -20.871 -0.274 440 H ASP 60 HN ASP 60 -22.195 -21.528 5.956 441 HA ASP 60 HA ASP 60 -23.867 -19.713 7.404 442 1HB ASP 60 HB2 ASP 60 -21.909 -21.812 8.394 443 2HB ASP 60 HB1 ASP 60 -23.023 -20.922 9.425 444 H HIS 61 HN HIS 61 -23.300 -17.725 7.932 445 HA HIS 61 HA HIS 61 -20.815 -16.571 7.512 446 1HB HIS 61 HB2 HIS 61 -23.149 -15.715 9.222 447 2HB HIS 61 HB1 HIS 61 -21.707 -14.719 9.055 448 HD1 HIS 61 HD1 HIS 61 -24.754 -15.833 7.202 449 HD2 HIS 61 HD2 HIS 61 -21.361 -13.524 6.535 450 HE1 HIS 61 HE1 HIS 61 -25.182 -14.602 5.055 451 HE2 HIS 61 HE2 HIS 61 -23.216 -13.046 4.805 452 H ASP 62 HN ASP 62 -22.131 -17.965 10.479 453 HA ASP 62 HA ASP 62 -20.213 -17.134 12.313 454 1HB ASP 62 HB2 ASP 62 -21.681 -19.787 12.200 455 2HB ASP 62 HB1 ASP 62 -20.806 -19.183 13.604 456 H VAL 63 HN VAL 63 -20.260 -20.143 10.425 457 HA VAL 63 HA VAL 63 -17.748 -21.083 11.315 458 HB VAL 63 HB VAL 63 -19.204 -21.788 8.750 459 1HG1 VAL 63 HG11 VAL 63 -16.882 -22.520 8.710 460 2HG1 VAL 63 HG12 VAL 63 -17.955 -23.908 8.885 461 3HG1 VAL 63 HG13 VAL 63 -17.075 -23.292 10.284 462 1HG2 VAL 63 HG21 VAL 63 -20.644 -22.129 10.684 463 2HG2 VAL 63 HG22 VAL 63 -19.378 -23.056 11.489 464 3HG2 VAL 63 HG23 VAL 63 -20.131 -23.682 10.023 465 H ASN 64 HN ASN 64 -18.765 -19.231 8.485 466 HA ASN 64 HA ASN 64 -16.386 -19.267 7.021 467 1HB ASN 64 HB2 ASN 64 -18.744 -18.338 6.406 468 2HB ASN 64 HB1 ASN 64 -18.180 -16.839 7.127 469 1HD2 ASN 64 HD21 ASN 64 -15.392 -17.293 6.142 470 2HD2 ASN 64 HD22 ASN 64 -15.458 -16.953 4.452 471 H ARG 65 HN ARG 65 -17.427 -17.231 9.702 472 HA ARG 65 HA ARG 65 -15.116 -15.516 9.598 473 1HB ARG 65 HB2 ARG 65 -17.399 -14.899 10.565 474 2HB ARG 65 HB1 ARG 65 -16.979 -15.897 11.952 475 1HG ARG 65 HG2 ARG 65 -14.848 -14.414 12.064 476 2HG ARG 65 HG1 ARG 65 -15.771 -13.306 11.047 477 1HD ARG 65 HD2 ARG 65 -16.179 -12.577 13.238 478 2HD ARG 65 HD1 ARG 65 -17.616 -13.511 12.816 479 HE ARG 65 HE ARG 65 -15.748 -15.214 14.042 480 1HH1 ARG 65 HH11 ARG 65 -17.898 -12.576 14.861 481 2HH1 ARG 65 HH12 ARG 65 -17.995 -13.016 16.538 482 1HH2 ARG 65 HH21 ARG 65 -15.835 -15.777 16.214 483 2HH2 ARG 65 HH22 ARG 65 -16.817 -14.858 17.315 484 H ALA 66 HN ALA 66 -16.240 -18.144 11.695 485 HA ALA 66 HA ALA 66 -14.338 -18.035 13.676 486 1HB ALA 66 HB1 ALA 66 -15.690 -20.507 12.599 487 2HB ALA 66 HB2 ALA 66 -16.342 -19.411 13.818 488 3HB ALA 66 HB3 ALA 66 -14.898 -20.362 14.168 489 H TRP 67 HN TRP 67 -14.112 -19.727 10.566 490 HA TRP 67 HA TRP 67 -11.733 -21.131 11.262 491 1HB TRP 67 HB2 TRP 67 -13.358 -21.850 9.477 492 2HB TRP 67 HB1 TRP 67 -12.735 -20.550 8.464 493 HD1 TRP 67 HD1 TRP 67 -11.559 -23.826 10.136 494 HE1 TRP 67 HE1 TRP 67 -9.558 -24.748 8.809 495 HE3 TRP 67 HE3 TRP 67 -10.944 -19.976 6.824 496 HZ2 TRP 67 HZ2 TRP 67 -7.935 -23.952 6.642 497 HZ3 TRP 67 HZ3 TRP 67 -9.140 -20.136 5.156 498 HH2 TRP 67 HH2 TRP 67 -7.668 -22.083 5.068 499 H MET 68 HN MET 68 -12.363 -18.102 9.515 500 HA MET 68 HA MET 68 -9.636 -17.753 8.725 501 1HB MET 68 HB2 MET 68 -10.265 -15.619 7.882 502 2HB MET 68 HB1 MET 68 -11.607 -16.704 7.555 503 1HG MET 68 HG2 MET 68 -12.845 -15.789 9.419 504 2HG MET 68 HG1 MET 68 -11.481 -14.758 9.849 505 1HE MET 68 HE1 MET 68 -12.949 -12.586 9.848 506 2HE MET 68 HE2 MET 68 -14.361 -13.589 9.515 507 3HE MET 68 HE3 MET 68 -14.052 -12.150 8.543 508 H GLU 69 HN GLU 69 -11.411 -17.068 11.613 509 HA GLU 69 HA GLU 69 -9.797 -14.998 12.665 510 1HB GLU 69 HB2 GLU 69 -11.392 -17.118 14.128 511 2HB GLU 69 HB1 GLU 69 -10.704 -15.682 14.874 512 1HG GLU 69 HG2 GLU 69 -12.101 -14.303 13.345 513 2HG GLU 69 HG1 GLU 69 -12.872 -15.785 12.790 514 H GLU 70 HN GLU 70 -9.687 -18.513 13.065 515 HA GLU 70 HA GLU 70 -7.329 -18.441 14.704 516 1HB GLU 70 HB2 GLU 70 -7.396 -20.931 14.437 517 2HB GLU 70 HB1 GLU 70 -8.889 -20.238 15.057 518 1HG GLU 70 HG2 GLU 70 -9.964 -20.464 12.932 519 2HG GLU 70 HG1 GLU 70 -8.455 -20.939 12.160 520 H SER 71 HN SER 71 -7.890 -18.231 11.369 521 HA SER 71 HA SER 71 -5.226 -19.343 10.740 522 1HB SER 71 HB2 SER 71 -7.591 -19.057 8.863 523 2HB SER 71 HB1 SER 71 -6.056 -19.854 8.512 524 HG SER 71 HG SER 71 -8.198 -20.699 10.105 525 H ASP 72 HN ASP 72 -4.047 -17.457 11.061 526 HA ASP 72 HA ASP 72 -4.703 -14.967 9.814 527 1HB ASP 72 HB2 ASP 72 -2.115 -16.018 10.996 528 2HB ASP 72 HB1 ASP 72 -2.299 -14.387 10.364 529 H PHE 73 HN PHE 73 -4.706 -14.740 7.653 530 HA PHE 73 HA PHE 73 -3.215 -16.506 5.940 531 1HB PHE 73 HB2 PHE 73 -4.871 -14.053 5.283 532 2HB PHE 73 HB1 PHE 73 -4.223 -15.186 4.099 533 HD1 PHE 73 HD2 PHE 73 -5.128 -17.457 3.919 534 HD2 PHE 73 HD1 PHE 73 -6.794 -14.609 6.617 535 HE1 PHE 73 HE2 PHE 73 -7.137 -18.856 4.153 536 HE2 PHE 73 HE1 PHE 73 -8.802 -16.008 6.854 537 HZ PHE 73 HZ PHE 73 -8.977 -18.132 5.622 538 H LEU 74 HN LEU 74 -1.180 -16.232 5.281 539 HA LEU 74 HA LEU 74 0.041 -13.564 5.530 540 1HB LEU 74 HB2 LEU 74 1.226 -16.333 5.663 541 2HB LEU 74 HB1 LEU 74 2.229 -14.938 5.320 542 HG LEU 74 HG LEU 74 1.501 -13.937 7.497 543 1HD1 LEU 74 HD11 LEU 74 0.490 -15.392 9.177 544 2HD1 LEU 74 HD12 LEU 74 0.287 -16.658 7.964 545 3HD1 LEU 74 HD13 LEU 74 -0.588 -15.134 7.807 546 1HD2 LEU 74 HD21 LEU 74 2.849 -16.635 7.668 547 2HD2 LEU 74 HD22 LEU 74 2.934 -15.352 8.877 548 3HD2 LEU 74 HD23 LEU 74 3.634 -15.103 7.278 549 H GLU 75 HN GLU 75 0.126 -16.443 3.415 550 HA GLU 75 HA GLU 75 0.998 -14.681 1.212 551 1HB GLU 75 HB2 GLU 75 2.923 -15.928 2.049 552 2HB GLU 75 HB1 GLU 75 2.041 -17.440 1.907 553 1HG GLU 75 HG2 GLU 75 1.931 -17.077 -0.556 554 2HG GLU 75 HG1 GLU 75 2.955 -15.658 -0.348 555 H LEU 76 HN LEU 76 -0.381 -14.748 -0.445 556 HA LEU 76 HA LEU 76 -1.845 -17.235 -1.002 557 1HB LEU 76 HB2 LEU 76 -3.193 -15.169 -1.015 558 2HB LEU 76 HB1 LEU 76 -2.144 -14.487 -2.247 559 HG LEU 76 HG LEU 76 -2.826 -16.345 -3.783 560 1HD1 LEU 76 HD11 LEU 76 -4.835 -16.956 -1.616 561 2HD1 LEU 76 HD12 LEU 76 -3.490 -17.983 -2.114 562 3HD1 LEU 76 HD13 LEU 76 -4.812 -17.660 -3.234 563 1HD2 LEU 76 HD21 LEU 76 -3.884 -14.148 -3.933 564 2HD2 LEU 76 HD22 LEU 76 -5.091 -14.640 -2.744 565 3HD2 LEU 76 HD23 LEU 76 -5.023 -15.438 -4.317 566 H ARG 77 HN ARG 77 -1.075 -18.561 -2.505 567 HA ARG 77 HA ARG 77 0.921 -17.523 -4.409 568 1HB ARG 77 HB2 ARG 77 1.892 -19.003 -2.684 569 2HB ARG 77 HB1 ARG 77 0.761 -20.270 -3.138 570 1HG ARG 77 HG2 ARG 77 1.771 -20.342 -5.381 571 2HG ARG 77 HG1 ARG 77 2.934 -19.112 -4.879 572 1HD ARG 77 HD2 ARG 77 2.609 -21.883 -3.721 573 2HD ARG 77 HD1 ARG 77 3.938 -21.308 -4.728 574 HE ARG 77 HE ARG 77 3.536 -19.847 -2.252 575 1HH1 ARG 77 HH11 ARG 77 5.230 -22.442 -3.879 576 2HH1 ARG 77 HH12 ARG 77 6.509 -22.510 -2.710 577 1HH2 ARG 77 HH21 ARG 77 5.191 -19.923 -0.716 578 2HH2 ARG 77 HH22 ARG 77 6.491 -21.067 -0.899 579 H VAL 78 HN VAL 78 -0.395 -17.205 -6.139 580 HA VAL 78 HA VAL 78 -2.332 -19.190 -6.954 581 HB VAL 78 HB VAL 78 -1.406 -16.636 -8.287 582 1HG1 VAL 78 HG11 VAL 78 -3.711 -18.450 -9.033 583 2HG1 VAL 78 HG12 VAL 78 -2.235 -18.211 -9.968 584 3HG1 VAL 78 HG13 VAL 78 -3.369 -16.878 -9.755 585 1HG2 VAL 78 HG21 VAL 78 -3.575 -15.741 -7.556 586 2HG2 VAL 78 HG22 VAL 78 -2.588 -16.257 -6.188 587 3HG2 VAL 78 HG23 VAL 78 -3.925 -17.266 -6.742 588 H LEU 79 HN LEU 79 -1.635 -20.998 -7.871 589 HA LEU 79 HA LEU 79 0.946 -21.224 -9.087 590 1HB LEU 79 HB2 LEU 79 -1.364 -23.174 -9.022 591 2HB LEU 79 HB1 LEU 79 0.269 -23.554 -9.530 592 HG LEU 79 HG LEU 79 -0.647 -22.817 -6.745 593 1HD1 LEU 79 HD11 LEU 79 0.580 -25.344 -7.845 594 2HD1 LEU 79 HD12 LEU 79 -1.112 -25.117 -7.400 595 3HD1 LEU 79 HD13 LEU 79 0.141 -25.048 -6.162 596 1HD2 LEU 79 HD21 LEU 79 2.167 -23.302 -7.734 597 2HD2 LEU 79 HD22 LEU 79 1.685 -23.118 -6.046 598 3HD2 LEU 79 HD23 LEU 79 1.511 -21.767 -7.164 599 H GLY 80 HN GLY 80 -2.393 -21.299 -10.252 600 1HA GLY 80 HA2 GLY 80 -1.586 -20.165 -12.781 601 2HA GLY 80 HA1 GLY 80 -2.136 -21.830 -12.898 602 H SER 81 HN SER 81 -3.466 -19.919 -14.269 603 HA SER 81 HA SER 81 -6.101 -20.016 -13.055 604 1HB SER 81 HB2 SER 81 -4.868 -17.375 -13.912 605 2HB SER 81 HB1 SER 81 -6.531 -17.609 -13.373 606 HG SER 81 HG SER 81 -4.925 -18.638 -11.529 607 H SER 82 HN SER 82 -7.246 -20.944 -14.623 608 HA SER 82 HA SER 82 -6.803 -20.098 -17.417 609 1HB SER 82 HB2 SER 82 -7.764 -22.808 -16.447 610 2HB SER 82 HB1 SER 82 -7.420 -22.350 -18.115 611 HG SER 82 HG SER 82 -5.225 -21.797 -16.980 612 H GLU 83 HN GLU 83 -8.467 -18.944 -18.165 613 HA GLU 83 HA GLU 83 -11.149 -19.343 -17.043 614 1HB GLU 83 HB2 GLU 83 -10.301 -17.030 -17.214 615 2HB GLU 83 HB1 GLU 83 -10.102 -17.230 -18.950 616 1HG GLU 83 HG2 GLU 83 -12.557 -17.590 -19.134 617 2HG GLU 83 HG1 GLU 83 -12.697 -17.232 -17.412 618 H LYS 84 HN LYS 84 -12.404 -20.777 -18.036 619 HA LYS 84 HA LYS 84 -11.973 -21.320 -20.905 620 1HB LYS 84 HB2 LYS 84 -13.430 -23.191 -19.043 621 2HB LYS 84 HB1 LYS 84 -12.619 -23.554 -20.558 622 1HG LYS 84 HG2 LYS 84 -11.272 -22.861 -17.950 623 2HG LYS 84 HG1 LYS 84 -11.407 -24.470 -18.657 624 1HD LYS 84 HD2 LYS 84 -9.996 -22.141 -19.961 625 2HD LYS 84 HD1 LYS 84 -9.188 -23.386 -19.009 626 1HE LYS 84 HE2 LYS 84 -10.006 -25.088 -20.603 627 2HE LYS 84 HE1 LYS 84 -10.741 -23.808 -21.567 628 1HZ LYS 84 HZ1 LYS 84 -8.624 -24.415 -22.486 629 2HZ LYS 84 HZ2 LYS 84 -7.846 -24.151 -21.009 630 3HZ LYS 84 HZ3 LYS 84 -8.516 -22.848 -21.856 631 H GLY 85 HN GLY 85 -13.338 -19.582 -21.532 632 1HA GLY 85 HA2 GLY 85 -15.336 -18.679 -22.216 633 2HA GLY 85 HA1 GLY 85 -16.083 -20.220 -21.821 634 H SER 86 HN SER 86 -17.640 -20.070 -20.355 635 HA SER 86 HA SER 86 -17.755 -17.754 -18.582 636 1HB SER 86 HB2 SER 86 -19.797 -19.939 -19.090 637 2HB SER 86 HB1 SER 86 -20.066 -18.468 -18.153 638 HG SER 86 HG SER 86 -20.241 -17.347 -19.937 639 H ARG 87 HN ARG 87 -16.393 -20.735 -18.429 640 HA ARG 87 HA ARG 87 -16.820 -20.928 -15.509 641 1HB ARG 87 HB2 ARG 87 -17.541 -22.887 -17.061 642 2HB ARG 87 HB1 ARG 87 -15.824 -23.193 -17.251 643 1HG ARG 87 HG2 ARG 87 -17.235 -23.140 -14.585 644 2HG ARG 87 HG1 ARG 87 -16.987 -24.600 -15.538 645 1HD ARG 87 HD2 ARG 87 -14.838 -22.814 -14.400 646 2HD ARG 87 HD1 ARG 87 -15.296 -24.407 -13.803 647 HE ARG 87 HE ARG 87 -13.970 -23.867 -16.381 648 1HH1 ARG 87 HH11 ARG 87 -14.845 -26.089 -13.818 649 2HH1 ARG 87 HH12 ARG 87 -13.746 -27.325 -14.351 650 1HH2 ARG 87 HH21 ARG 87 -12.529 -25.507 -17.074 651 2HH2 ARG 87 HH22 ARG 87 -12.429 -26.989 -16.183 652 H GLY 88 HN GLY 88 -15.038 -20.697 -14.250 653 1HA GLY 88 HA2 GLY 88 -12.418 -20.576 -15.628 654 2HA GLY 88 HA1 GLY 88 -12.919 -19.356 -14.466 655 H THR 89 HN THR 89 -10.696 -21.388 -14.580 656 HA THR 89 HA THR 89 -11.127 -22.500 -11.886 657 HB THR 89 HB THR 89 -9.547 -23.789 -14.135 658 HG1 THR 89 HG1 THR 89 -11.288 -25.394 -13.920 659 1HG2 THR 89 HG21 THR 89 -8.635 -24.275 -11.908 660 2HG2 THR 89 HG22 THR 89 -9.382 -25.707 -12.616 661 3HG2 THR 89 HG23 THR 89 -10.231 -24.798 -11.366 662 H VAL 90 HN VAL 90 -9.660 -21.825 -10.440 663 HA VAL 90 HA VAL 90 -7.008 -21.002 -11.410 664 HB VAL 90 HB VAL 90 -8.058 -18.916 -10.994 665 1HG1 VAL 90 HG11 VAL 90 -9.225 -18.329 -8.944 666 2HG1 VAL 90 HG12 VAL 90 -8.965 -19.956 -8.309 667 3HG1 VAL 90 HG13 VAL 90 -9.991 -19.714 -9.724 668 1HG2 VAL 90 HG21 VAL 90 -5.790 -19.090 -10.101 669 2HG2 VAL 90 HG22 VAL 90 -6.430 -19.618 -8.544 670 3HG2 VAL 90 HG23 VAL 90 -6.766 -17.988 -9.129 671 H GLU 91 HN GLU 91 -5.528 -22.230 -10.583 672 HA GLU 91 HA GLU 91 -6.011 -23.698 -8.098 673 1HB GLU 91 HB2 GLU 91 -5.208 -24.832 -10.212 674 2HB GLU 91 HB1 GLU 91 -3.698 -23.951 -10.037 675 1HG GLU 91 HG2 GLU 91 -3.295 -25.049 -7.893 676 2HG GLU 91 HG1 GLU 91 -4.821 -25.919 -8.048 677 H PHE 92 HN PHE 92 -5.060 -23.115 -6.222 678 HA PHE 92 HA PHE 92 -2.701 -21.395 -6.260 679 1HB PHE 92 HB2 PHE 92 -3.765 -19.745 -4.740 680 2HB PHE 92 HB1 PHE 92 -4.494 -19.776 -6.340 681 HD1 PHE 92 HD2 PHE 92 -6.746 -20.672 -6.668 682 HD2 PHE 92 HD1 PHE 92 -5.003 -20.433 -2.786 683 HE1 PHE 92 HE2 PHE 92 -8.965 -20.986 -5.656 684 HE2 PHE 92 HE1 PHE 92 -7.222 -20.746 -1.771 685 HZ PHE 92 HZ PHE 92 -9.205 -21.023 -3.205 686 H ILE 93 HN ILE 93 -2.130 -20.820 -3.910 687 HA ILE 93 HA ILE 93 -2.676 -23.040 -2.064 688 HB ILE 93 HB ILE 93 0.046 -21.863 -2.713 689 1HG1 ILE 93 HG12 ILE 93 -0.924 -24.732 -2.838 690 2HG1 ILE 93 HG11 ILE 93 -0.772 -23.673 -4.232 691 1HG2 ILE 93 HG21 ILE 93 0.938 -23.333 -0.944 692 2HG2 ILE 93 HG22 ILE 93 -0.709 -23.775 -0.495 693 3HG2 ILE 93 HG23 ILE 93 -0.160 -22.111 -0.302 694 1HD1 ILE 93 HD11 ILE 93 1.116 -25.152 -4.112 695 2HD1 ILE 93 HD12 ILE 93 1.457 -24.644 -2.458 696 3HD1 ILE 93 HD13 ILE 93 1.651 -23.503 -3.790 697 H ALA 94 HN ALA 94 -3.585 -22.158 -0.319 698 HA ALA 94 HA ALA 94 -2.977 -19.396 0.423 699 1HB ALA 94 HB1 ALA 94 -4.974 -21.330 1.617 700 2HB ALA 94 HB2 ALA 94 -5.328 -20.122 0.382 701 3HB ALA 94 HB3 ALA 94 -4.830 -19.612 1.995 702 H ARG 95 HN ARG 95 -1.128 -19.195 1.549 703 HA ARG 95 HA ARG 95 -0.483 -21.135 3.646 704 1HB ARG 95 HB2 ARG 95 1.400 -20.544 2.254 705 2HB ARG 95 HB1 ARG 95 1.098 -18.827 2.493 706 1HG ARG 95 HG2 ARG 95 1.605 -19.097 4.899 707 2HG ARG 95 HG1 ARG 95 1.982 -20.794 4.605 708 1HD ARG 95 HD2 ARG 95 3.385 -18.489 3.258 709 2HD ARG 95 HD1 ARG 95 3.968 -19.279 4.722 710 HE ARG 95 HE ARG 95 3.605 -21.304 2.895 711 1HH1 ARG 95 HH11 ARG 95 5.523 -18.386 3.086 712 2HH1 ARG 95 HH12 ARG 95 6.798 -19.004 2.088 713 1HH2 ARG 95 HH21 ARG 95 5.310 -22.139 1.604 714 2HH2 ARG 95 HH22 ARG 95 6.687 -21.140 1.258 715 H PHE 96 HN PHE 96 -0.994 -20.765 5.671 716 HA PHE 96 HA PHE 96 -1.322 -18.032 6.647 717 1HB PHE 96 HB2 PHE 96 -3.484 -18.944 7.823 718 2HB PHE 96 HB1 PHE 96 -3.566 -18.381 6.156 719 HD1 PHE 96 HD1 PHE 96 -2.840 -21.553 8.022 720 HD2 PHE 96 HD2 PHE 96 -4.720 -19.707 4.669 721 HE1 PHE 96 HE1 PHE 96 -3.737 -23.734 7.315 722 HE2 PHE 96 HE2 PHE 96 -5.622 -21.885 3.971 723 HZ PHE 96 HZ PHE 96 -5.132 -23.902 5.296 724 H ARG 97 HN ARG 97 -0.928 -17.781 8.805 725 HA ARG 97 HA ARG 97 0.265 -20.047 10.201 726 1HB ARG 97 HB2 ARG 97 1.298 -17.703 10.082 727 2HB ARG 97 HB1 ARG 97 0.021 -17.186 11.170 728 1HG ARG 97 HG2 ARG 97 1.821 -19.471 11.890 729 2HG ARG 97 HG1 ARG 97 2.333 -17.801 12.136 730 1HD ARG 97 HD2 ARG 97 0.212 -17.466 13.460 731 2HD ARG 97 HD1 ARG 97 -0.031 -19.212 13.366 732 HE ARG 97 HE ARG 97 2.462 -19.045 14.352 733 1HH1 ARG 97 HH11 ARG 97 -0.549 -17.519 15.295 734 2HH1 ARG 97 HH12 ARG 97 -0.086 -17.356 16.960 735 1HH2 ARG 97 HH21 ARG 97 3.074 -18.818 16.542 736 2HH2 ARG 97 HH22 ARG 97 1.970 -18.092 17.669 737 H ARG 98 HN ARG 98 -1.103 -21.311 11.284 738 HA ARG 98 HA ARG 98 -3.735 -20.204 11.983 739 1HB ARG 98 HB2 ARG 98 -4.599 -22.448 11.741 740 2HB ARG 98 HB1 ARG 98 -3.671 -22.025 10.309 741 1HG ARG 98 HG2 ARG 98 -1.740 -23.285 11.270 742 2HG ARG 98 HG1 ARG 98 -2.806 -23.818 12.571 743 1HD ARG 98 HD2 ARG 98 -3.095 -24.385 9.624 744 2HD ARG 98 HD1 ARG 98 -2.701 -25.539 10.896 745 HE ARG 98 HE ARG 98 -5.315 -24.179 10.652 746 1HH1 ARG 98 HH11 ARG 98 -3.385 -26.985 11.499 747 2HH1 ARG 98 HH12 ARG 98 -4.771 -27.975 11.851 748 1HH2 ARG 98 HH21 ARG 98 -7.122 -25.488 11.090 749 2HH2 ARG 98 HH22 ARG 98 -6.887 -27.130 11.616 750 H GLY 99 HN GLY 99 -4.801 -20.927 13.872 751 1HA GLY 99 HA2 GLY 99 -4.968 -21.288 16.119 752 2HA GLY 99 HA1 GLY 99 -3.743 -22.526 15.892 753 H GLY 100 HN GLY 100 -1.697 -22.156 16.543 754 1HA GLY 100 HA2 GLY 100 -0.706 -19.508 17.086 755 2HA GLY 100 HA1 GLY 100 -1.059 -20.432 18.541 756 H GLY 101 HN GLY 101 0.316 -21.413 15.392 757 1HA GLY 101 HA2 GLY 101 2.924 -21.767 16.617 758 2HA GLY 101 HA1 GLY 101 2.109 -23.255 16.166 759 HA PRO 102 HA PRO 102 4.320 -22.672 12.403 760 1HB PRO 102 HB2 PRO 102 3.522 -24.862 11.094 761 2HB PRO 102 HB1 PRO 102 4.468 -24.989 12.585 762 1HG PRO 102 HG2 PRO 102 1.489 -25.214 12.222 763 2HG PRO 102 HG1 PRO 102 2.581 -26.297 13.110 764 1HD PRO 102 HD2 PRO 102 1.104 -24.356 14.319 765 2HD PRO 102 HD1 PRO 102 2.684 -24.885 14.933 766 H GLU 103 HN GLU 103 4.083 -22.335 10.140 767 HA GLU 103 HA GLU 103 1.525 -21.268 9.268 768 1HB GLU 103 HB2 GLU 103 4.230 -21.459 7.913 769 2HB GLU 103 HB1 GLU 103 2.809 -20.747 7.162 770 1HG GLU 103 HG2 GLU 103 2.755 -18.976 8.752 771 2HG GLU 103 HG1 GLU 103 3.981 -19.754 9.752 772 H GLN 104 HN GLN 104 0.067 -22.471 8.242 773 HA GLN 104 HA GLN 104 0.884 -25.039 7.056 774 1HB GLN 104 HB2 GLN 104 -0.901 -25.108 8.782 775 2HB GLN 104 HB1 GLN 104 -1.883 -24.038 7.791 776 1HG GLN 104 HG2 GLN 104 -1.877 -25.775 6.010 777 2HG GLN 104 HG1 GLN 104 -1.022 -26.848 7.117 778 1HE2 GLN 104 HE21 GLN 104 -2.124 -27.672 8.923 779 2HE2 GLN 104 HE22 GLN 104 -3.851 -27.658 9.015 780 H SER 105 HN SER 105 0.273 -25.545 4.930 781 HA SER 105 HA SER 105 -0.651 -23.256 3.319 782 1HB SER 105 HB2 SER 105 0.821 -24.168 1.482 783 2HB SER 105 HB1 SER 105 1.704 -23.549 2.878 784 HG SER 105 HG SER 105 1.094 -26.278 2.357 785 H HIS 106 HN HIS 106 -2.607 -23.674 2.619 786 HA HIS 106 HA HIS 106 -3.439 -26.420 2.027 787 1HB HIS 106 HB2 HIS 106 -4.890 -24.945 3.427 788 2HB HIS 106 HB1 HIS 106 -5.065 -23.857 2.056 789 HD1 HIS 106 HD1 HIS 106 -7.017 -24.295 0.584 790 HD2 HIS 106 HD2 HIS 106 -5.987 -27.631 2.837 791 HE1 HIS 106 HE1 HIS 106 -8.819 -25.990 0.147 792 HE2 HIS 106 HE2 HIS 106 -8.284 -27.907 1.686 793 H HIS 107 HN HIS 107 -3.499 -27.152 -0.013 794 HA HIS 107 HA HIS 107 -3.261 -25.196 -2.212 795 1HB HIS 107 HB2 HIS 107 -1.231 -26.487 -2.029 796 2HB HIS 107 HB1 HIS 107 -2.130 -27.991 -1.952 797 HD1 HIS 107 HD1 HIS 107 -0.830 -28.919 -3.986 798 HD2 HIS 107 HD2 HIS 107 -3.039 -25.493 -4.812 799 HE1 HIS 107 HE1 HIS 107 -0.859 -28.724 -6.486 800 HE2 HIS 107 HE2 HIS 107 -2.231 -26.675 -6.971 801 H GLU 108 HN GLU 108 -5.297 -24.962 -2.937 802 HA GLU 108 HA GLU 108 -6.714 -27.416 -3.764 803 1HB GLU 108 HB2 GLU 108 -8.836 -26.317 -3.370 804 2HB GLU 108 HB1 GLU 108 -7.884 -26.296 -1.896 805 1HG GLU 108 HG2 GLU 108 -7.806 -23.925 -3.713 806 2HG GLU 108 HG1 GLU 108 -9.213 -24.178 -2.686 807 H ARG 109 HN ARG 109 -8.314 -26.993 -5.504 808 HA ARG 109 HA ARG 109 -7.503 -24.839 -7.340 809 1HB ARG 109 HB2 ARG 109 -6.599 -26.935 -8.205 810 2HB ARG 109 HB1 ARG 109 -8.167 -27.717 -8.046 811 1HG ARG 109 HG2 ARG 109 -9.084 -26.485 -9.831 812 2HG ARG 109 HG1 ARG 109 -7.755 -25.323 -9.818 813 1HD ARG 109 HD2 ARG 109 -7.613 -26.903 -11.706 814 2HD ARG 109 HD1 ARG 109 -6.219 -27.004 -10.632 815 HE ARG 109 HE ARG 109 -8.442 -28.934 -10.414 816 1HH1 ARG 109 HH11 ARG 109 -5.037 -28.224 -10.852 817 2HH1 ARG 109 HH12 ARG 109 -4.554 -29.888 -10.835 818 1HH2 ARG 109 HH21 ARG 109 -7.808 -31.135 -10.397 819 2HH2 ARG 109 HH22 ARG 109 -6.133 -31.549 -10.596 820 H SER 110 HN SER 110 -9.160 -23.469 -7.142 821 HA SER 110 HA SER 110 -11.839 -24.517 -6.612 822 1HB SER 110 HB2 SER 110 -10.778 -21.680 -6.457 823 2HB SER 110 HB1 SER 110 -12.382 -22.211 -5.946 824 HG SER 110 HG SER 110 -10.162 -23.533 -4.879 825 H GLN 111 HN GLN 111 -13.453 -24.436 -8.015 826 HA GLN 111 HA GLN 111 -13.046 -23.095 -10.589 827 1HB GLN 111 HB2 GLN 111 -15.095 -25.150 -9.717 828 2HB GLN 111 HB1 GLN 111 -15.066 -24.396 -11.304 829 1HG GLN 111 HG2 GLN 111 -14.065 -26.536 -11.503 830 2HG GLN 111 HG1 GLN 111 -12.781 -25.339 -11.638 831 1HE2 GLN 111 HE21 GLN 111 -11.193 -26.823 -11.049 832 2HE2 GLN 111 HE22 GLN 111 -11.025 -27.396 -9.425 833 H PHE 112 HN PHE 112 -14.308 -21.490 -11.283 834 HA PHE 112 HA PHE 112 -16.351 -20.415 -9.448 835 1HB PHE 112 HB2 PHE 112 -14.323 -18.923 -11.144 836 2HB PHE 112 HB1 PHE 112 -15.684 -18.150 -10.339 837 HD1 PHE 112 HD1 PHE 112 -12.633 -20.181 -9.676 838 HD2 PHE 112 HD2 PHE 112 -15.496 -17.433 -8.125 839 HE1 PHE 112 HE1 PHE 112 -11.284 -19.925 -7.635 840 HE2 PHE 112 HE2 PHE 112 -14.148 -17.177 -6.085 841 HZ PHE 112 HZ PHE 112 -12.040 -18.423 -5.837 842 H ARG 113 HN ARG 113 -18.263 -19.820 -10.343 843 HA ARG 113 HA ARG 113 -18.645 -20.378 -13.206 844 1HB ARG 113 HB2 ARG 113 -20.051 -21.714 -11.778 845 2HB ARG 113 HB1 ARG 113 -20.571 -20.299 -10.873 846 1HG ARG 113 HG2 ARG 113 -21.805 -19.475 -12.773 847 2HG ARG 113 HG1 ARG 113 -21.189 -20.783 -13.786 848 1HD ARG 113 HD2 ARG 113 -22.899 -21.156 -11.321 849 2HD ARG 113 HD1 ARG 113 -23.499 -21.179 -12.979 850 HE ARG 113 HE ARG 113 -21.542 -23.058 -12.990 851 1HH1 ARG 113 HH11 ARG 113 -24.349 -22.538 -10.963 852 2HH1 ARG 113 HH12 ARG 113 -24.606 -24.228 -10.663 853 1HH2 ARG 113 HH21 ARG 113 -21.868 -25.284 -12.594 854 2HH2 ARG 113 HH22 ARG 113 -23.174 -25.789 -11.566 855 H LYS 114 HN LYS 114 -19.152 -18.786 -14.582 856 HA LYS 114 HA LYS 114 -19.467 -16.073 -13.563 857 1HB LYS 114 HB2 LYS 114 -17.949 -16.684 -15.500 858 2HB LYS 114 HB1 LYS 114 -19.405 -16.963 -16.447 859 1HG LYS 114 HG2 LYS 114 -20.080 -14.644 -16.121 860 2HG LYS 114 HG1 LYS 114 -18.648 -14.359 -15.129 861 1HD LYS 114 HD2 LYS 114 -17.251 -15.007 -17.111 862 2HD LYS 114 HD1 LYS 114 -18.735 -15.046 -18.068 863 1HE LYS 114 HE2 LYS 114 -19.142 -12.683 -17.413 864 2HE LYS 114 HE1 LYS 114 -17.572 -12.672 -16.616 865 1HZ LYS 114 HZ1 LYS 114 -16.510 -13.131 -18.726 866 2HZ LYS 114 HZ2 LYS 114 -17.453 -11.732 -18.844 867 3HZ LYS 114 HZ3 LYS 114 -18.010 -13.182 -19.510 868 H ALA 115 HN ALA 115 -21.461 -15.571 -12.926 869 HA ALA 115 HA ALA 115 -23.727 -16.237 -14.693 870 1HB ALA 115 HB1 ALA 115 -23.740 -16.247 -11.668 871 2HB ALA 115 HB2 ALA 115 -23.802 -17.671 -12.708 872 3HB ALA 115 HB3 ALA 115 -25.139 -16.520 -12.707 873 H ARG 116 HN ARG 116 -24.999 -14.555 -15.219 874 HA ARG 116 HA ARG 116 -25.768 -12.426 -15.431 875 1HB ARG 116 HB2 ARG 116 -25.035 -12.183 -12.498 876 2HB ARG 116 HB1 ARG 116 -26.093 -11.097 -13.386 877 1HG ARG 116 HG2 ARG 116 -26.630 -14.018 -12.850 878 2HG ARG 116 HG1 ARG 116 -27.342 -12.661 -11.977 879 1HD ARG 116 HD2 ARG 116 -28.315 -11.867 -14.137 880 2HD ARG 116 HD1 ARG 116 -27.713 -13.341 -14.896 881 HE ARG 116 HE ARG 116 -29.346 -14.571 -13.798 882 1HH1 ARG 116 HH11 ARG 116 -29.410 -11.226 -12.749 883 2HH1 ARG 116 HH12 ARG 116 -30.937 -11.387 -11.934 884 1HH2 ARG 116 HH21 ARG 116 -31.358 -14.770 -12.714 885 2HH2 ARG 116 HH22 ARG 116 -32.033 -13.386 -11.908 886 H GLY 117 HN GLY 117 -22.841 -13.115 -15.701 887 1HA GLY 117 HA2 GLY 117 -21.096 -11.828 -16.572 888 2HA GLY 117 HA1 GLY 117 -21.876 -10.378 -15.957 889 H ARG 118 HN ARG 118 -22.071 -12.084 -13.322 890 HA ARG 118 HA ARG 118 -19.517 -11.118 -12.274 891 1HB ARG 118 HB2 ARG 118 -22.045 -12.061 -10.905 892 2HB ARG 118 HB1 ARG 118 -20.559 -11.728 -10.035 893 1HG ARG 118 HG2 ARG 118 -21.889 -9.815 -9.790 894 2HG ARG 118 HG1 ARG 118 -20.662 -9.393 -10.980 895 1HD ARG 118 HD2 ARG 118 -22.250 -9.669 -12.781 896 2HD ARG 118 HD1 ARG 118 -23.476 -10.258 -11.654 897 HE ARG 118 HE ARG 118 -22.676 -7.750 -10.757 898 1HH1 ARG 118 HH11 ARG 118 -24.296 -9.083 -13.573 899 2HH1 ARG 118 HH12 ARG 118 -25.221 -7.646 -13.869 900 1HH2 ARG 118 HH21 ARG 118 -23.877 -5.864 -11.169 901 2HH2 ARG 118 HH22 ARG 118 -24.979 -5.819 -12.508 902 H TRP 119 HN TRP 119 -18.156 -12.460 -11.033 903 HA TRP 119 HA TRP 119 -18.354 -15.307 -11.696 904 1HB TRP 119 HB2 TRP 119 -16.060 -13.533 -10.858 905 2HB TRP 119 HB1 TRP 119 -15.934 -15.291 -10.800 906 HD1 TRP 119 HD1 TRP 119 -16.237 -12.403 -13.325 907 HE1 TRP 119 HE1 TRP 119 -15.563 -13.299 -15.651 908 HE3 TRP 119 HE3 TRP 119 -15.816 -17.352 -12.187 909 HZ2 TRP 119 HZ2 TRP 119 -14.951 -15.780 -16.838 910 HZ3 TRP 119 HZ3 TRP 119 -15.194 -18.929 -13.970 911 HH2 TRP 119 HH2 TRP 119 -14.769 -18.159 -16.248 912 H TYR 120 HN TYR 120 -18.732 -16.803 -10.202 913 HA TYR 120 HA TYR 120 -18.751 -16.002 -7.364 914 1HB TYR 120 HB2 TYR 120 -20.793 -17.716 -8.807 915 2HB TYR 120 HB1 TYR 120 -20.764 -17.421 -7.074 916 HD1 TYR 120 HD1 TYR 120 -21.227 -15.112 -6.210 917 HD2 TYR 120 HD2 TYR 120 -21.757 -16.136 -10.312 918 HE1 TYR 120 HE1 TYR 120 -22.640 -13.124 -6.519 919 HE2 TYR 120 HE2 TYR 120 -23.167 -14.148 -10.629 920 HH TYR 120 HH TYR 120 -24.588 -12.662 -9.237 921 H PHE 121 HN PHE 121 -18.011 -17.492 -5.917 922 HA PHE 121 HA PHE 121 -16.375 -19.630 -6.820 923 1HB PHE 121 HB2 PHE 121 -15.743 -18.604 -4.781 924 2HB PHE 121 HB1 PHE 121 -17.354 -18.777 -4.093 925 HD1 PHE 121 HD1 PHE 121 -14.302 -20.628 -5.066 926 HD2 PHE 121 HD2 PHE 121 -17.979 -20.739 -2.916 927 HE1 PHE 121 HE1 PHE 121 -13.626 -22.741 -4.015 928 HE2 PHE 121 HE2 PHE 121 -17.306 -22.855 -1.860 929 HZ PHE 121 HZ PHE 121 -15.121 -23.856 -2.405 930 H SER 122 HN SER 122 -17.052 -21.553 -7.540 931 HA SER 122 HA SER 122 -19.735 -22.485 -6.837 932 1HB SER 122 HB2 SER 122 -17.773 -23.548 -8.892 933 2HB SER 122 HB1 SER 122 -19.443 -24.081 -8.685 934 HG SER 122 HG SER 122 -20.066 -21.883 -9.153 935 H GLU 123 HN GLU 123 -16.424 -23.832 -7.003 936 HA GLU 123 HA GLU 123 -16.900 -25.365 -4.597 937 1HB GLU 123 HB2 GLU 123 -16.356 -27.543 -5.655 938 2HB GLU 123 HB1 GLU 123 -17.874 -26.867 -6.230 939 1HG GLU 123 HG2 GLU 123 -16.703 -26.049 -8.251 940 2HG GLU 123 HG1 GLU 123 -15.234 -26.840 -7.682 941 H GLY 124 HN GLY 124 -15.000 -26.201 -3.677 942 1HA GLY 124 HA2 GLY 124 -12.465 -25.370 -4.934 943 2HA GLY 124 HA1 GLY 124 -12.849 -24.839 -3.301 944 H GLU 125 HN GLU 125 -12.091 -27.581 -5.321 945 HA GLU 125 HA GLU 125 -11.937 -29.390 -3.045 946 1HB GLU 125 HB2 GLU 125 -11.387 -31.101 -4.738 947 2HB GLU 125 HB1 GLU 125 -12.878 -30.250 -5.123 948 1HG GLU 125 HG2 GLU 125 -11.715 -28.898 -6.773 949 2HG GLU 125 HG1 GLU 125 -10.187 -29.672 -6.356 950 H ALA 126 HN ALA 126 -10.074 -30.119 -2.130 951 HA ALA 126 HA ALA 126 -7.633 -28.712 -2.592 952 1HB ALA 126 HB1 ALA 126 -6.685 -30.210 -0.904 953 2HB ALA 126 HB2 ALA 126 -8.133 -31.217 -0.972 954 3HB ALA 126 HB3 ALA 126 -8.238 -29.563 -0.371 955 H VAL 127 HN VAL 127 -6.330 -29.068 -4.259 956 HA VAL 127 HA VAL 127 -6.552 -31.533 -5.784 957 HB VAL 127 HB VAL 127 -6.537 -29.496 -7.079 958 1HG1 VAL 127 HG11 VAL 127 -3.847 -28.904 -5.840 959 2HG1 VAL 127 HG12 VAL 127 -5.352 -28.039 -5.529 960 3HG1 VAL 127 HG13 VAL 127 -4.613 -27.975 -7.130 961 1HG2 VAL 127 HG21 VAL 127 -4.687 -29.949 -8.625 962 2HG2 VAL 127 HG22 VAL 127 -5.463 -31.441 -8.095 963 3HG2 VAL 127 HG23 VAL 127 -3.912 -30.961 -7.405 964 H ASP 128 HN ASP 128 -5.007 -33.055 -5.989 965 HA ASP 128 HA ASP 128 -2.624 -32.791 -4.273 966 1HB ASP 128 HB2 ASP 128 -4.223 -34.467 -3.454 967 2HB ASP 128 HB1 ASP 128 -4.186 -35.283 -5.014 Start of MODEL 13 1 1H MET 1 HT1 MET 1 1.188 -0.251 1.793 2 2H MET 1 HT2 MET 1 1.641 -1.746 1.151 3 3H MET 1 HT3 MET 1 0.016 -1.291 1.162 4 HA MET 1 HA MET 1 0.450 0.498 -0.364 5 1HB MET 1 HB2 MET 1 3.274 -0.606 -0.416 6 2HB MET 1 HB1 MET 1 2.656 0.684 -1.441 7 1HG MET 1 HG2 MET 1 2.981 0.762 1.551 8 2HG MET 1 HG1 MET 1 3.957 1.616 0.355 9 1HE MET 1 HE1 MET 1 1.875 4.418 2.217 10 2HE MET 1 HE2 MET 1 3.494 3.816 1.862 11 3HE MET 1 HE3 MET 1 2.427 2.903 2.930 12 H ASN 2 HN ASN 2 2.481 -2.400 -0.952 13 HA ASN 2 HA ASN 2 1.067 -3.076 -3.326 14 1HB ASN 2 HB2 ASN 2 2.250 -5.268 -3.166 15 2HB ASN 2 HB1 ASN 2 3.326 -3.883 -3.077 16 1HD2 ASN 2 HD21 ASN 2 4.938 -5.077 -2.096 17 2HD2 ASN 2 HD22 ASN 2 4.843 -5.593 -0.449 18 H CYS 3 HN CYS 3 -0.433 -4.787 -3.649 19 HA CYS 3 HA CYS 3 -2.424 -4.753 -1.612 20 1HB CYS 3 HB2 CYS 3 -2.819 -4.800 -4.132 21 2HB CYS 3 HB1 CYS 3 -2.465 -6.527 -4.050 22 H VAL 4 HN VAL 4 -3.175 -6.366 -0.295 23 HA VAL 4 HA VAL 4 -1.459 -8.565 0.351 24 HB VAL 4 HB VAL 4 -3.249 -9.212 1.940 25 1HG1 VAL 4 HG11 VAL 4 -1.584 -7.556 2.606 26 2HG1 VAL 4 HG12 VAL 4 -3.147 -7.197 3.341 27 3HG1 VAL 4 HG13 VAL 4 -2.589 -6.262 1.952 28 1HG2 VAL 4 HG21 VAL 4 -5.198 -8.614 0.604 29 2HG2 VAL 4 HG22 VAL 4 -4.774 -6.905 0.714 30 3HG2 VAL 4 HG23 VAL 4 -5.253 -7.790 2.164 31 H CYS 5 HN CYS 5 -1.920 -8.894 -2.258 32 HA CYS 5 HA CYS 5 -2.889 -11.510 -2.473 33 1HB CYS 5 HB2 CYS 5 -4.987 -11.356 -3.394 34 2HB CYS 5 HB1 CYS 5 -5.041 -9.880 -2.436 35 H GLY 6 HN GLY 6 -2.673 -12.325 -4.715 36 1HA GLY 6 HA2 GLY 6 -0.347 -11.359 -5.955 37 2HA GLY 6 HA1 GLY 6 -1.452 -12.539 -6.639 38 H SER 7 HN SER 7 -0.943 -9.072 -6.206 39 HA SER 7 HA SER 7 -1.555 -8.516 -8.944 40 1HB SER 7 HB2 SER 7 -3.321 -7.293 -6.789 41 2HB SER 7 HB1 SER 7 -3.374 -6.923 -8.511 42 HG SER 7 HG SER 7 -3.692 -9.444 -8.512 43 H GLY 8 HN GLY 8 -0.012 -7.073 -9.460 44 1HA GLY 8 HA2 GLY 8 1.554 -5.815 -7.400 45 2HA GLY 8 HA1 GLY 8 1.811 -5.695 -9.132 46 H LYS 9 HN LYS 9 -0.907 -4.767 -7.034 47 HA LYS 9 HA LYS 9 -0.472 -1.952 -7.680 48 1HB LYS 9 HB2 LYS 9 -3.254 -3.135 -7.843 49 2HB LYS 9 HB1 LYS 9 -2.711 -1.551 -8.380 50 1HG LYS 9 HG2 LYS 9 -1.228 -2.930 -10.024 51 2HG LYS 9 HG1 LYS 9 -2.382 -4.220 -9.689 52 1HD LYS 9 HD2 LYS 9 -3.038 -1.463 -10.770 53 2HD LYS 9 HD1 LYS 9 -3.002 -2.959 -11.703 54 1HE LYS 9 HE2 LYS 9 -4.821 -3.841 -10.259 55 2HE LYS 9 HE1 LYS 9 -4.894 -2.278 -9.447 56 1HZ LYS 9 HZ1 LYS 9 -5.486 -1.248 -11.542 57 2HZ LYS 9 HZ2 LYS 9 -6.576 -2.492 -11.187 58 3HZ LYS 9 HZ3 LYS 9 -5.369 -2.733 -12.345 59 H THR 10 HN THR 10 -2.116 -0.623 -6.308 60 HA THR 10 HA THR 10 -1.701 -1.289 -3.575 61 HB THR 10 HB THR 10 -3.061 0.715 -3.098 62 HG1 THR 10 HG1 THR 10 -3.928 1.860 -4.944 63 1HG2 THR 10 HG21 THR 10 -1.690 2.370 -4.280 64 2HG2 THR 10 HG22 THR 10 -1.157 1.127 -5.412 65 3HG2 THR 10 HG23 THR 10 -0.700 1.024 -3.712 66 H TYR 11 HN TYR 11 -3.801 -0.909 -2.096 67 HA TYR 11 HA TYR 11 -5.528 -3.119 -2.465 68 1HB TYR 11 HB2 TYR 11 -5.163 -2.373 -0.226 69 2HB TYR 11 HB1 TYR 11 -5.644 -0.725 -0.620 70 HD1 TYR 11 HD2 TYR 11 -7.157 -4.139 -0.977 71 HD2 TYR 11 HD1 TYR 11 -7.686 -0.105 0.282 72 HE1 TYR 11 HE2 TYR 11 -9.461 -4.653 -0.305 73 HE2 TYR 11 HE1 TYR 11 -9.995 -0.613 0.954 74 HH TYR 11 HH TYR 11 -11.737 -2.221 0.513 75 H ASP 12 HN ASP 12 -6.152 0.385 -2.644 76 HA ASP 12 HA ASP 12 -8.856 0.121 -3.399 77 1HB ASP 12 HB2 ASP 12 -8.871 2.487 -3.699 78 2HB ASP 12 HB1 ASP 12 -7.782 2.161 -2.357 79 H ASP 13 HN ASP 13 -5.905 0.629 -5.313 80 HA ASP 13 HA ASP 13 -7.193 0.879 -7.815 81 1HB ASP 13 HB2 ASP 13 -4.402 0.114 -6.993 82 2HB ASP 13 HB1 ASP 13 -4.891 -0.051 -8.674 83 H CYS 14 HN CYS 14 -5.956 -1.932 -6.060 84 HA CYS 14 HA CYS 14 -6.704 -3.690 -8.251 85 1HB CYS 14 HB2 CYS 14 -4.646 -4.276 -7.287 86 2HB CYS 14 HB1 CYS 14 -5.267 -4.139 -5.649 87 H CYS 15 HN CYS 15 -7.276 -4.302 -4.770 88 HA CYS 15 HA CYS 15 -9.599 -5.842 -5.465 89 1HB CYS 15 HB2 CYS 15 -8.266 -5.223 -2.841 90 2HB CYS 15 HB1 CYS 15 -9.806 -6.075 -2.915 91 H GLY 16 HN GLY 16 -9.105 -2.562 -4.679 92 1HA GLY 16 HA2 GLY 16 -11.238 -1.879 -3.075 93 2HA GLY 16 HA1 GLY 16 -10.532 -0.819 -4.280 94 HA PRO 17 HA PRO 17 -14.057 -1.003 -6.941 95 1HB PRO 17 HB2 PRO 17 -13.417 -2.407 -9.228 96 2HB PRO 17 HB1 PRO 17 -12.931 -0.738 -8.916 97 1HG PRO 17 HG2 PRO 17 -11.371 -3.268 -8.535 98 2HG PRO 17 HG1 PRO 17 -10.841 -1.717 -9.218 99 1HD PRO 17 HD2 PRO 17 -10.227 -2.412 -6.703 100 2HD PRO 17 HD1 PRO 17 -10.615 -0.730 -7.123 101 H LEU 18 HN LEU 18 -12.584 -4.178 -6.534 102 HA LEU 18 HA LEU 18 -14.918 -5.674 -7.229 103 1HB LEU 18 HB2 LEU 18 -12.396 -6.403 -5.735 104 2HB LEU 18 HB1 LEU 18 -13.698 -7.549 -5.978 105 HG LEU 18 HG LEU 18 -12.022 -7.979 -7.624 106 1HD1 LEU 18 HD11 LEU 18 -14.325 -6.521 -8.913 107 2HD1 LEU 18 HD12 LEU 18 -14.317 -8.205 -8.386 108 3HD1 LEU 18 HD13 LEU 18 -13.264 -7.689 -9.702 109 1HD2 LEU 18 HD21 LEU 18 -11.266 -6.318 -9.245 110 2HD2 LEU 18 HD22 LEU 18 -10.868 -5.833 -7.597 111 3HD2 LEU 18 HD23 LEU 18 -12.225 -5.078 -8.435 112 H LEU 19 HN LEU 19 -13.385 -4.818 -4.150 113 HA LEU 19 HA LEU 19 -15.429 -5.949 -2.528 114 1HB LEU 19 HB2 LEU 19 -13.008 -4.273 -2.083 115 2HB LEU 19 HB1 LEU 19 -14.223 -4.276 -0.814 116 HG LEU 19 HG LEU 19 -12.998 -6.810 -1.918 117 1HD1 LEU 19 HD11 LEU 19 -12.178 -5.255 0.538 118 2HD1 LEU 19 HD12 LEU 19 -11.227 -5.447 -0.935 119 3HD1 LEU 19 HD13 LEU 19 -11.580 -6.849 0.073 120 1HD2 LEU 19 HD21 LEU 19 -15.157 -7.089 -0.822 121 2HD2 LEU 19 HD22 LEU 19 -14.559 -6.238 0.603 122 3HD2 LEU 19 HD23 LEU 19 -13.865 -7.795 0.149 123 H ALA 20 HN ALA 20 -15.077 -2.937 -4.155 124 HA ALA 20 HA ALA 20 -17.072 -1.542 -2.611 125 1HB ALA 20 HB1 ALA 20 -15.292 -0.321 -3.781 126 2HB ALA 20 HB2 ALA 20 -16.890 0.190 -4.323 127 3HB ALA 20 HB3 ALA 20 -15.921 -0.887 -5.329 128 H ARG 21 HN ARG 21 -17.259 -4.086 -4.700 129 HA ARG 21 HA ARG 21 -18.892 -5.100 -5.898 130 1HB ARG 21 HB2 ARG 21 -20.572 -3.278 -4.178 131 2HB ARG 21 HB1 ARG 21 -21.306 -4.342 -5.365 132 1HG ARG 21 HG2 ARG 21 -21.445 -5.479 -3.322 133 2HG ARG 21 HG1 ARG 21 -20.133 -6.255 -4.203 134 1HD ARG 21 HD2 ARG 21 -18.487 -5.115 -2.872 135 2HD ARG 21 HD1 ARG 21 -19.731 -4.131 -2.095 136 HE ARG 21 HE ARG 21 -20.278 -6.877 -1.689 137 1HH1 ARG 21 HH11 ARG 21 -18.041 -4.391 -0.620 138 2HH1 ARG 21 HH12 ARG 21 -17.800 -5.113 0.940 139 1HH2 ARG 21 HH21 ARG 21 -19.975 -7.812 0.346 140 2HH2 ARG 21 HH22 ARG 21 -18.895 -7.069 1.487 141 H THR 22 HN THR 22 -17.691 -2.422 -6.801 142 HA THR 22 HA THR 22 -19.835 -1.390 -8.494 143 HB THR 22 HB THR 22 -18.495 0.265 -7.300 144 HG1 THR 22 HG1 THR 22 -19.116 0.346 -9.800 145 1HG2 THR 22 HG21 THR 22 -16.139 0.642 -7.860 146 2HG2 THR 22 HG22 THR 22 -16.154 -0.778 -8.905 147 3HG2 THR 22 HG23 THR 22 -16.377 -0.962 -7.165 148 H ARG 23 HN ARG 23 -16.940 -3.306 -8.716 149 HA ARG 23 HA ARG 23 -17.278 -3.432 -11.643 150 1HB ARG 23 HB2 ARG 23 -15.309 -2.021 -10.955 151 2HB ARG 23 HB1 ARG 23 -14.613 -3.449 -10.201 152 1HG ARG 23 HG2 ARG 23 -14.523 -4.568 -12.371 153 2HG ARG 23 HG1 ARG 23 -15.257 -3.155 -13.137 154 1HD ARG 23 HD2 ARG 23 -13.301 -1.812 -12.267 155 2HD ARG 23 HD1 ARG 23 -12.554 -3.343 -11.809 156 HE ARG 23 HE ARG 23 -13.382 -3.205 -14.568 157 1HH1 ARG 23 HH11 ARG 23 -10.788 -2.561 -12.314 158 2HH1 ARG 23 HH12 ARG 23 -9.556 -2.567 -13.532 159 1HH2 ARG 23 HH21 ARG 23 -11.761 -3.189 -16.185 160 2HH2 ARG 23 HH22 ARG 23 -10.102 -2.940 -15.730 161 H SER 24 HN SER 24 -17.322 -5.439 -12.476 162 HA SER 24 HA SER 24 -17.088 -7.703 -10.661 163 1HB SER 24 HB2 SER 24 -17.937 -8.982 -12.686 164 2HB SER 24 HB1 SER 24 -19.024 -7.732 -12.080 165 HG SER 24 HG SER 24 -17.182 -7.009 -14.058 166 H ALA 25 HN ALA 25 -15.447 -9.145 -10.667 167 HA ALA 25 HA ALA 25 -12.974 -8.511 -11.803 168 1HB ALA 25 HB1 ALA 25 -13.948 -11.162 -10.735 169 2HB ALA 25 HB2 ALA 25 -13.154 -9.881 -9.815 170 3HB ALA 25 HB3 ALA 25 -12.264 -10.753 -11.063 171 H ALA 26 HN ALA 26 -15.509 -10.699 -12.896 172 HA ALA 26 HA ALA 26 -15.945 -11.700 -14.881 173 1HB ALA 26 HB1 ALA 26 -15.833 -9.389 -15.687 174 2HB ALA 26 HB2 ALA 26 -15.272 -10.530 -16.910 175 3HB ALA 26 HB3 ALA 26 -14.106 -9.577 -15.990 176 H SER 27 HN SER 27 -13.291 -12.278 -13.341 177 HA SER 27 HA SER 27 -12.334 -14.254 -15.247 178 1HB SER 27 HB2 SER 27 -10.856 -12.349 -15.687 179 2HB SER 27 HB1 SER 27 -10.504 -12.193 -13.968 180 HG SER 27 HG SER 27 -9.028 -13.452 -15.526 181 HA PRO 28 HA PRO 28 -12.580 -16.740 -11.611 182 1HB PRO 28 HB2 PRO 28 -10.596 -18.593 -12.227 183 2HB PRO 28 HB1 PRO 28 -12.264 -18.661 -12.804 184 1HG PRO 28 HG2 PRO 28 -9.822 -17.617 -14.185 185 2HG PRO 28 HG1 PRO 28 -11.164 -18.571 -14.847 186 1HD PRO 28 HD2 PRO 28 -10.998 -15.932 -15.277 187 2HD PRO 28 HD1 PRO 28 -12.569 -16.716 -14.998 188 H GLU 29 HN GLU 29 -9.213 -16.164 -12.682 189 HA GLU 29 HA GLU 29 -8.076 -16.418 -10.106 190 1HB GLU 29 HB2 GLU 29 -6.092 -15.275 -11.094 191 2HB GLU 29 HB1 GLU 29 -6.655 -16.645 -12.039 192 1HG GLU 29 HG2 GLU 29 -7.521 -15.286 -13.728 193 2HG GLU 29 HG1 GLU 29 -7.525 -13.853 -12.702 194 H ALA 30 HN ALA 30 -9.188 -13.637 -11.974 195 HA ALA 30 HA ALA 30 -8.293 -11.621 -10.249 196 1HB ALA 30 HB1 ALA 30 -9.022 -11.186 -12.544 197 2HB ALA 30 HB2 ALA 30 -9.884 -10.165 -11.393 198 3HB ALA 30 HB3 ALA 30 -10.683 -11.573 -12.094 199 H LEU 31 HN LEU 31 -11.212 -13.570 -10.255 200 HA LEU 31 HA LEU 31 -12.562 -12.003 -8.271 201 1HB LEU 31 HB2 LEU 31 -13.687 -13.362 -10.043 202 2HB LEU 31 HB1 LEU 31 -13.164 -14.813 -9.220 203 HG LEU 31 HG LEU 31 -15.588 -14.064 -8.889 204 1HD1 LEU 31 HD11 LEU 31 -13.922 -14.525 -6.417 205 2HD1 LEU 31 HD12 LEU 31 -14.548 -15.774 -7.495 206 3HD1 LEU 31 HD13 LEU 31 -15.664 -14.773 -6.567 207 1HD2 LEU 31 HD21 LEU 31 -16.000 -12.384 -7.170 208 2HD2 LEU 31 HD22 LEU 31 -15.152 -11.686 -8.549 209 3HD2 LEU 31 HD23 LEU 31 -14.271 -12.051 -7.065 210 H MET 32 HN MET 32 -10.722 -15.047 -8.259 211 HA MET 32 HA MET 32 -11.297 -15.582 -5.509 212 1HB MET 32 HB2 MET 32 -9.796 -17.442 -5.679 213 2HB MET 32 HB1 MET 32 -10.735 -17.364 -7.160 214 1HG MET 32 HG2 MET 32 -8.547 -17.884 -7.812 215 2HG MET 32 HG1 MET 32 -8.760 -16.179 -8.199 216 1HE MET 32 HE1 MET 32 -5.926 -17.641 -8.054 217 2HE MET 32 HE2 MET 32 -4.974 -16.425 -7.204 218 3HE MET 32 HE3 MET 32 -6.119 -15.932 -8.450 219 H ARG 33 HN ARG 33 -8.675 -13.942 -7.205 220 HA ARG 33 HA ARG 33 -6.996 -13.843 -4.884 221 1HB ARG 33 HB2 ARG 33 -5.407 -13.325 -6.360 222 2HB ARG 33 HB1 ARG 33 -6.613 -13.401 -7.628 223 1HG ARG 33 HG2 ARG 33 -6.047 -10.872 -6.100 224 2HG ARG 33 HG1 ARG 33 -5.135 -11.341 -7.532 225 1HD ARG 33 HD2 ARG 33 -7.327 -11.472 -8.759 226 2HD ARG 33 HD1 ARG 33 -8.086 -10.748 -7.342 227 HE ARG 33 HE ARG 33 -5.860 -9.227 -8.299 228 1HH1 ARG 33 HH11 ARG 33 -9.292 -9.793 -8.733 229 2HH1 ARG 33 HH12 ARG 33 -9.547 -8.315 -9.607 230 1HH2 ARG 33 HH21 ARG 33 -6.216 -7.271 -9.403 231 2HH2 ARG 33 HH22 ARG 33 -7.808 -6.875 -9.968 232 H SER 34 HN SER 34 -9.479 -11.802 -6.239 233 HA SER 34 HA SER 34 -9.022 -9.637 -4.395 234 1HB SER 34 HB2 SER 34 -11.354 -8.945 -5.139 235 2HB SER 34 HB1 SER 34 -10.169 -9.094 -6.436 236 HG SER 34 HG SER 34 -12.330 -10.775 -5.795 237 H ARG 35 HN ARG 35 -10.891 -12.567 -4.539 238 HA ARG 35 HA ARG 35 -12.611 -12.159 -2.353 239 1HB ARG 35 HB2 ARG 35 -12.598 -13.964 -4.248 240 2HB ARG 35 HB1 ARG 35 -11.572 -14.873 -3.150 241 1HG ARG 35 HG2 ARG 35 -13.331 -14.855 -1.466 242 2HG ARG 35 HG1 ARG 35 -14.354 -13.885 -2.530 243 1HD ARG 35 HD2 ARG 35 -14.173 -15.758 -4.217 244 2HD ARG 35 HD1 ARG 35 -13.414 -16.722 -2.949 245 HE ARG 35 HE ARG 35 -16.123 -15.582 -2.655 246 1HH1 ARG 35 HH11 ARG 35 -13.914 -18.296 -2.456 247 2HH1 ARG 35 HH12 ARG 35 -15.101 -19.379 -1.814 248 1HH2 ARG 35 HH21 ARG 35 -17.690 -17.003 -1.818 249 2HH2 ARG 35 HH22 ARG 35 -17.260 -18.640 -1.452 250 H TYR 36 HN TYR 36 -9.422 -13.712 -2.602 251 HA TYR 36 HA TYR 36 -9.076 -14.536 0.026 252 1HB TYR 36 HB2 TYR 36 -7.448 -15.198 -1.598 253 2HB TYR 36 HB1 TYR 36 -7.073 -13.527 -2.009 254 HD1 TYR 36 HD1 TYR 36 -6.588 -16.190 0.500 255 HD2 TYR 36 HD2 TYR 36 -5.558 -12.217 -0.646 256 HE1 TYR 36 HE1 TYR 36 -4.770 -16.184 2.155 257 HE2 TYR 36 HE2 TYR 36 -3.740 -12.204 1.006 258 HH TYR 36 HH TYR 36 -3.089 -13.324 3.034 259 H ALA 37 HN ALA 37 -8.416 -11.381 -1.429 260 HA ALA 37 HA ALA 37 -7.169 -10.168 0.757 261 1HB ALA 37 HB1 ALA 37 -7.149 -9.212 -1.498 262 2HB ALA 37 HB2 ALA 37 -7.728 -8.040 -0.313 263 3HB ALA 37 HB3 ALA 37 -8.873 -8.867 -1.372 264 H ALA 38 HN ALA 38 -10.566 -10.558 -0.058 265 HA ALA 38 HA ALA 38 -11.641 -8.813 1.876 266 1HB ALA 38 HB1 ALA 38 -13.749 -10.049 1.521 267 2HB ALA 38 HB2 ALA 38 -12.862 -11.249 0.580 268 3HB ALA 38 HB3 ALA 38 -12.970 -9.587 0.008 269 H TYR 39 HN TYR 39 -10.723 -12.236 2.009 270 HA TYR 39 HA TYR 39 -11.742 -12.829 4.556 271 1HB TYR 39 HB2 TYR 39 -9.609 -13.983 2.827 272 2HB TYR 39 HB1 TYR 39 -9.550 -14.399 4.535 273 HD1 TYR 39 HD2 TYR 39 -11.639 -14.575 1.490 274 HD2 TYR 39 HD1 TYR 39 -11.103 -15.946 5.483 275 HE1 TYR 39 HE2 TYR 39 -13.368 -16.277 1.140 276 HE2 TYR 39 HE1 TYR 39 -12.822 -17.670 5.129 277 HH TYR 39 HH TYR 39 -14.826 -17.996 3.588 278 H ALA 40 HN ALA 40 -8.577 -11.552 3.579 279 HA ALA 40 HA ALA 40 -7.504 -11.377 6.204 280 1HB ALA 40 HB1 ALA 40 -6.698 -9.876 3.707 281 2HB ALA 40 HB2 ALA 40 -6.090 -11.457 4.203 282 3HB ALA 40 HB3 ALA 40 -5.739 -10.031 5.180 283 H LEU 41 HN LEU 41 -9.705 -9.449 4.448 284 HA LEU 41 HA LEU 41 -9.396 -7.172 6.290 285 1HB LEU 41 HB2 LEU 41 -10.847 -7.407 3.647 286 2HB LEU 41 HB1 LEU 41 -10.795 -5.957 4.635 287 HG LEU 41 HG LEU 41 -8.366 -7.280 3.412 288 1HD1 LEU 41 HD11 LEU 41 -9.819 -6.377 1.685 289 2HD1 LEU 41 HD12 LEU 41 -8.352 -5.412 1.844 290 3HD1 LEU 41 HD13 LEU 41 -9.872 -4.825 2.521 291 1HD2 LEU 41 HD21 LEU 41 -7.852 -6.044 5.448 292 2HD2 LEU 41 HD22 LEU 41 -8.692 -4.626 4.819 293 3HD2 LEU 41 HD23 LEU 41 -7.221 -5.201 4.033 294 H LYS 42 HN LYS 42 -10.751 -9.856 6.651 295 HA LYS 42 HA LYS 42 -12.587 -10.810 7.512 296 1HB LYS 42 HB2 LYS 42 -13.522 -9.807 9.476 297 2HB LYS 42 HB1 LYS 42 -11.800 -9.490 9.442 298 1HG LYS 42 HG2 LYS 42 -13.561 -7.376 8.334 299 2HG LYS 42 HG1 LYS 42 -13.641 -7.646 10.073 300 1HD LYS 42 HD2 LYS 42 -11.140 -7.032 8.485 301 2HD LYS 42 HD1 LYS 42 -12.018 -5.900 9.514 302 1HE LYS 42 HE2 LYS 42 -11.556 -7.358 11.457 303 2HE LYS 42 HE1 LYS 42 -10.621 -8.425 10.410 304 1HZ LYS 42 HZ1 LYS 42 -9.168 -6.931 11.581 305 2HZ LYS 42 HZ2 LYS 42 -10.014 -5.582 11.009 306 3HZ LYS 42 HZ3 LYS 42 -9.140 -6.550 9.933 307 H ASP 43 HN ASP 43 -13.034 -9.128 5.043 308 HA ASP 43 HA ASP 43 -15.859 -8.489 5.239 309 1HB ASP 43 HB2 ASP 43 -13.862 -8.414 2.971 310 2HB ASP 43 HB1 ASP 43 -15.585 -8.198 2.683 311 H PHE 44 HN PHE 44 -15.882 -10.901 6.076 312 HA PHE 44 HA PHE 44 -15.802 -12.988 4.175 313 1HB PHE 44 HB2 PHE 44 -16.888 -14.364 5.856 314 2HB PHE 44 HB1 PHE 44 -15.649 -13.374 6.613 315 HD1 PHE 44 HD2 PHE 44 -16.335 -11.365 7.952 316 HD2 PHE 44 HD1 PHE 44 -19.153 -14.227 6.527 317 HE1 PHE 44 HE2 PHE 44 -17.982 -10.557 9.587 318 HE2 PHE 44 HE1 PHE 44 -20.801 -13.418 8.161 319 HZ PHE 44 HZ PHE 44 -20.219 -11.582 9.693 320 H ASP 45 HN ASP 45 -18.123 -10.568 4.847 321 HA ASP 45 HA ASP 45 -20.481 -11.755 3.896 322 1HB ASP 45 HB2 ASP 45 -20.523 -9.610 5.050 323 2HB ASP 45 HB1 ASP 45 -19.562 -8.866 3.777 324 H TYR 46 HN TYR 46 -18.051 -9.786 2.192 325 HA TYR 46 HA TYR 46 -19.131 -9.910 -0.370 326 1HB TYR 46 HB2 TYR 46 -17.238 -8.434 0.296 327 2HB TYR 46 HB1 TYR 46 -16.188 -9.846 0.365 328 HD1 TYR 46 HD1 TYR 46 -18.553 -8.210 -2.033 329 HD2 TYR 46 HD2 TYR 46 -14.845 -10.237 -1.495 330 HE1 TYR 46 HE1 TYR 46 -18.048 -7.906 -4.417 331 HE2 TYR 46 HE2 TYR 46 -14.333 -9.939 -3.882 332 HH TYR 46 HH TYR 46 -16.168 -7.854 -5.903 333 H ILE 47 HN ILE 47 -17.216 -12.229 1.404 334 HA ILE 47 HA ILE 47 -16.504 -13.951 -0.717 335 HB ILE 47 HB ILE 47 -17.061 -14.759 2.145 336 1HG1 ILE 47 HG12 ILE 47 -15.529 -12.897 2.206 337 2HG1 ILE 47 HG11 ILE 47 -14.610 -14.370 2.496 338 1HG2 ILE 47 HG21 ILE 47 -15.257 -15.979 0.052 339 2HG2 ILE 47 HG22 ILE 47 -16.819 -16.617 0.564 340 3HG2 ILE 47 HG23 ILE 47 -15.474 -16.558 1.705 341 1HD1 ILE 47 HD11 ILE 47 -13.365 -12.949 1.049 342 2HD1 ILE 47 HD12 ILE 47 -14.732 -12.776 -0.049 343 3HD1 ILE 47 HD13 ILE 47 -13.921 -14.335 0.113 344 H VAL 48 HN VAL 48 -19.105 -14.140 1.658 345 HA VAL 48 HA VAL 48 -20.503 -16.312 0.627 346 HB VAL 48 HB VAL 48 -21.668 -13.885 2.023 347 1HG1 VAL 48 HG11 VAL 48 -22.762 -16.687 1.729 348 2HG1 VAL 48 HG12 VAL 48 -23.410 -15.226 0.984 349 3HG1 VAL 48 HG13 VAL 48 -23.461 -15.419 2.736 350 1HG2 VAL 48 HG21 VAL 48 -20.609 -16.473 3.172 351 2HG2 VAL 48 HG22 VAL 48 -21.410 -15.196 4.087 352 3HG2 VAL 48 HG23 VAL 48 -19.856 -14.884 3.315 353 H GLU 49 HN GLU 49 -20.699 -12.875 -0.229 354 HA GLU 49 HA GLU 49 -22.847 -13.080 -2.044 355 1HB GLU 49 HB2 GLU 49 -20.544 -11.112 -2.070 356 2HB GLU 49 HB1 GLU 49 -22.057 -10.932 -2.950 357 1HG GLU 49 HG2 GLU 49 -23.232 -10.993 -0.723 358 2HG GLU 49 HG1 GLU 49 -21.641 -10.884 0.029 359 H THR 50 HN THR 50 -19.363 -13.473 -2.447 360 HA THR 50 HA THR 50 -19.587 -13.828 -5.315 361 HB THR 50 HB THR 50 -17.098 -14.295 -5.157 362 HG1 THR 50 HG1 THR 50 -17.222 -13.237 -2.544 363 1HG2 THR 50 HG21 THR 50 -18.072 -11.679 -3.987 364 2HG2 THR 50 HG22 THR 50 -17.966 -12.063 -5.706 365 3HG2 THR 50 HG23 THR 50 -16.498 -11.956 -4.734 366 H THR 51 HN THR 51 -20.573 -15.765 -3.025 367 HA THR 51 HA THR 51 -19.399 -18.226 -4.087 368 HB THR 51 HB THR 51 -21.516 -17.970 -1.931 369 HG1 THR 51 HG1 THR 51 -19.709 -16.988 -1.108 370 1HG2 THR 51 HG21 THR 51 -19.589 -20.237 -2.485 371 2HG2 THR 51 HG22 THR 51 -21.227 -20.188 -3.138 372 3HG2 THR 51 HG23 THR 51 -20.971 -20.242 -1.388 373 H ASP 52 HN ASP 52 -20.698 -19.817 -5.094 374 HA ASP 52 HA ASP 52 -22.656 -18.981 -6.883 375 1HB ASP 52 HB2 ASP 52 -21.296 -21.132 -6.918 376 2HB ASP 52 HB1 ASP 52 -22.433 -21.768 -5.743 377 HA PRO 53 HA PRO 53 -26.281 -18.326 -4.393 378 1HB PRO 53 HB2 PRO 53 -28.126 -19.338 -6.271 379 2HB PRO 53 HB1 PRO 53 -27.590 -17.662 -6.126 380 1HG PRO 53 HG2 PRO 53 -26.644 -19.802 -7.978 381 2HG PRO 53 HG1 PRO 53 -26.821 -18.061 -8.266 382 1HD PRO 53 HD2 PRO 53 -24.414 -19.161 -7.878 383 2HD PRO 53 HD1 PRO 53 -24.801 -17.560 -7.215 384 H GLU 54 HN GLU 54 -25.895 -21.423 -6.089 385 HA GLU 54 HA GLU 54 -27.736 -22.829 -4.398 386 1HB GLU 54 HB2 GLU 54 -25.622 -23.867 -6.304 387 2HB GLU 54 HB1 GLU 54 -26.860 -24.854 -5.537 388 1HG GLU 54 HG2 GLU 54 -28.601 -23.597 -6.694 389 2HG GLU 54 HG1 GLU 54 -27.378 -22.570 -7.439 390 H ARG 55 HN ARG 55 -24.246 -22.379 -4.503 391 HA ARG 55 HA ARG 55 -23.724 -24.239 -2.358 392 1HB ARG 55 HB2 ARG 55 -21.931 -22.124 -3.583 393 2HB ARG 55 HB1 ARG 55 -21.409 -23.393 -2.483 394 1HG ARG 55 HG2 ARG 55 -22.610 -23.859 -5.210 395 2HG ARG 55 HG1 ARG 55 -20.884 -23.869 -4.846 396 1HD ARG 55 HD2 ARG 55 -22.879 -25.698 -3.511 397 2HD ARG 55 HD1 ARG 55 -21.983 -26.131 -4.965 398 HE ARG 55 HE ARG 55 -20.501 -25.341 -2.557 399 1HH1 ARG 55 HH11 ARG 55 -21.408 -27.809 -4.874 400 2HH1 ARG 55 HH12 ARG 55 -20.228 -28.950 -4.311 401 1HH2 ARG 55 HH21 ARG 55 -18.924 -26.825 -1.845 402 2HH2 ARG 55 HH22 ARG 55 -18.799 -28.381 -2.601 403 H ARG 56 HN ARG 56 -24.567 -20.919 -2.649 404 HA ARG 56 HA ARG 56 -23.465 -19.966 -0.215 405 1HB ARG 56 HB2 ARG 56 -24.027 -18.411 -1.978 406 2HB ARG 56 HB1 ARG 56 -25.714 -18.902 -1.937 407 1HG ARG 56 HG2 ARG 56 -26.124 -17.787 0.067 408 2HG ARG 56 HG1 ARG 56 -24.414 -17.720 0.494 409 1HD ARG 56 HD2 ARG 56 -25.387 -15.533 -0.223 410 2HD ARG 56 HD1 ARG 56 -23.988 -16.052 -1.161 411 HE ARG 56 HE ARG 56 -26.739 -16.460 -2.144 412 1HH1 ARG 56 HH11 ARG 56 -23.481 -15.264 -2.571 413 2HH1 ARG 56 HH12 ARG 56 -23.730 -14.767 -4.213 414 1HH2 ARG 56 HH21 ARG 56 -27.092 -15.803 -4.305 415 2HH2 ARG 56 HH22 ARG 56 -25.801 -15.066 -5.204 416 H ASP 57 HN ASP 57 -26.402 -21.615 -1.065 417 HA ASP 57 HA ASP 57 -27.829 -21.249 1.350 418 1HB ASP 57 HB2 ASP 57 -28.893 -22.141 -0.671 419 2HB ASP 57 HB1 ASP 57 -27.857 -23.562 -0.615 420 H LEU 58 HN LEU 58 -25.063 -23.088 0.519 421 HA LEU 58 HA LEU 58 -25.164 -24.665 3.008 422 1HB LEU 58 HB2 LEU 58 -23.232 -24.958 0.699 423 2HB LEU 58 HB1 LEU 58 -23.510 -26.096 2.005 424 HG LEU 58 HG LEU 58 -25.498 -25.422 -0.176 425 1HD1 LEU 58 HD11 LEU 58 -23.801 -27.888 0.220 426 2HD1 LEU 58 HD12 LEU 58 -23.590 -26.670 -1.039 427 3HD1 LEU 58 HD13 LEU 58 -25.042 -27.670 -1.016 428 1HD2 LEU 58 HD21 LEU 58 -26.602 -26.039 1.910 429 2HD2 LEU 58 HD22 LEU 58 -25.620 -27.501 2.013 430 3HD2 LEU 58 HD23 LEU 58 -26.784 -27.310 0.702 431 H PHE 59 HN PHE 59 -24.006 -21.804 1.865 432 HA PHE 59 HA PHE 59 -21.325 -21.972 3.027 433 1HB PHE 59 HB2 PHE 59 -22.100 -20.942 0.677 434 2HB PHE 59 HB1 PHE 59 -22.347 -19.510 1.662 435 HD1 PHE 59 HD1 PHE 59 -19.802 -22.053 0.745 436 HD2 PHE 59 HD2 PHE 59 -20.543 -18.094 2.131 437 HE1 PHE 59 HE1 PHE 59 -17.418 -21.517 0.477 438 HE2 PHE 59 HE2 PHE 59 -18.157 -17.556 1.872 439 HZ PHE 59 HZ PHE 59 -16.591 -19.267 1.043 440 H ASP 60 HN ASP 60 -21.864 -21.919 5.238 441 HA ASP 60 HA ASP 60 -23.636 -19.982 6.354 442 1HB ASP 60 HB2 ASP 60 -21.629 -21.859 7.617 443 2HB ASP 60 HB1 ASP 60 -22.654 -20.780 8.559 444 H HIS 61 HN HIS 61 -23.274 -17.992 7.066 445 HA HIS 61 HA HIS 61 -20.900 -16.556 6.625 446 1HB HIS 61 HB2 HIS 61 -23.187 -16.001 8.543 447 2HB HIS 61 HB1 HIS 61 -21.903 -14.852 8.189 448 HD1 HIS 61 HD1 HIS 61 -24.985 -16.389 6.715 449 HD2 HIS 61 HD2 HIS 61 -22.109 -13.554 5.718 450 HE1 HIS 61 HE1 HIS 61 -25.894 -15.177 4.710 451 HE2 HIS 61 HE2 HIS 61 -24.181 -13.409 4.179 452 H ASP 62 HN ASP 62 -22.130 -18.275 9.419 453 HA ASP 62 HA ASP 62 -20.376 -17.463 11.406 454 1HB ASP 62 HB2 ASP 62 -21.735 -20.125 10.939 455 2HB ASP 62 HB1 ASP 62 -20.799 -19.782 12.390 456 H VAL 63 HN VAL 63 -20.012 -20.199 9.161 457 HA VAL 63 HA VAL 63 -17.556 -21.111 10.172 458 HB VAL 63 HB VAL 63 -18.590 -21.401 7.339 459 1HG1 VAL 63 HG11 VAL 63 -16.233 -21.958 7.490 460 2HG1 VAL 63 HG12 VAL 63 -17.177 -23.435 7.295 461 3HG1 VAL 63 HG13 VAL 63 -16.536 -23.000 8.881 462 1HG2 VAL 63 HG21 VAL 63 -20.225 -22.197 8.974 463 2HG2 VAL 63 HG22 VAL 63 -18.991 -23.199 9.737 464 3HG2 VAL 63 HG23 VAL 63 -19.515 -23.547 8.089 465 H ASN 64 HN ASN 64 -18.327 -18.780 7.628 466 HA ASN 64 HA ASN 64 -15.718 -18.385 6.659 467 1HB ASN 64 HB2 ASN 64 -18.173 -16.633 6.665 468 2HB ASN 64 HB1 ASN 64 -16.647 -16.068 5.991 469 1HD2 ASN 64 HD21 ASN 64 -19.287 -18.300 5.629 470 2HD2 ASN 64 HD22 ASN 64 -18.915 -18.778 4.016 471 H ARG 65 HN ARG 65 -17.513 -16.766 9.255 472 HA ARG 65 HA ARG 65 -15.480 -14.892 9.878 473 1HB ARG 65 HB2 ARG 65 -17.886 -14.731 10.628 474 2HB ARG 65 HB1 ARG 65 -17.548 -16.005 11.795 475 1HG ARG 65 HG2 ARG 65 -15.773 -14.543 12.776 476 2HG ARG 65 HG1 ARG 65 -16.305 -13.257 11.693 477 1HD ARG 65 HD2 ARG 65 -17.330 -12.892 13.819 478 2HD ARG 65 HD1 ARG 65 -18.584 -13.452 12.712 479 HE ARG 65 HE ARG 65 -17.970 -15.747 13.804 480 1HH1 ARG 65 HH11 ARG 65 -18.252 -12.641 15.409 481 2HH1 ARG 65 HH12 ARG 65 -18.680 -13.334 16.942 482 1HH2 ARG 65 HH21 ARG 65 -18.535 -16.653 15.804 483 2HH2 ARG 65 HH22 ARG 65 -18.843 -15.624 17.169 484 H ALA 66 HN ALA 66 -16.402 -17.977 11.383 485 HA ALA 66 HA ALA 66 -14.460 -18.107 13.356 486 1HB ALA 66 HB1 ALA 66 -15.671 -20.415 11.825 487 2HB ALA 66 HB2 ALA 66 -16.393 -19.615 13.223 488 3HB ALA 66 HB3 ALA 66 -14.882 -20.509 13.402 489 H TRP 67 HN TRP 67 -14.286 -19.095 9.970 490 HA TRP 67 HA TRP 67 -11.842 -20.461 10.068 491 1HB TRP 67 HB2 TRP 67 -13.349 -20.654 8.160 492 2HB TRP 67 HB1 TRP 67 -13.115 -18.954 7.769 493 HD1 TRP 67 HD1 TRP 67 -11.207 -18.409 6.114 494 HE1 TRP 67 HE1 TRP 67 -9.289 -19.739 5.038 495 HE3 TRP 67 HE3 TRP 67 -11.633 -22.760 8.772 496 HZ2 TRP 67 HZ2 TRP 67 -8.107 -22.287 5.277 497 HZ3 TRP 67 HZ3 TRP 67 -10.067 -24.594 8.283 498 HH2 TRP 67 HH2 TRP 67 -8.341 -24.362 6.571 499 H MET 68 HN MET 68 -12.498 -17.064 9.147 500 HA MET 68 HA MET 68 -9.753 -16.426 8.777 501 1HB MET 68 HB2 MET 68 -10.456 -14.113 8.620 502 2HB MET 68 HB1 MET 68 -11.587 -15.129 7.740 503 1HG MET 68 HG2 MET 68 -13.150 -15.008 9.627 504 2HG MET 68 HG1 MET 68 -12.018 -13.960 10.483 505 1HE MET 68 HE1 MET 68 -13.899 -12.130 10.821 506 2HE MET 68 HE2 MET 68 -15.061 -13.161 9.988 507 3HE MET 68 HE3 MET 68 -14.878 -11.474 9.509 508 H GLU 69 HN GLU 69 -11.784 -16.602 11.565 509 HA GLU 69 HA GLU 69 -10.115 -15.045 13.297 510 1HB GLU 69 HB2 GLU 69 -12.223 -17.132 13.917 511 2HB GLU 69 HB1 GLU 69 -11.437 -16.125 15.123 512 1HG GLU 69 HG2 GLU 69 -13.061 -15.037 12.830 513 2HG GLU 69 HG1 GLU 69 -13.717 -15.374 14.428 514 H GLU 70 HN GLU 70 -10.336 -18.473 12.422 515 HA GLU 70 HA GLU 70 -8.212 -19.144 14.329 516 1HB GLU 70 HB2 GLU 70 -8.662 -21.477 13.771 517 2HB GLU 70 HB1 GLU 70 -10.148 -20.650 14.218 518 1HG GLU 70 HG2 GLU 70 -10.810 -20.489 11.903 519 2HG GLU 70 HG1 GLU 70 -9.273 -21.175 11.381 520 H SER 71 HN SER 71 -8.342 -17.986 11.256 521 HA SER 71 HA SER 71 -5.678 -19.064 10.660 522 1HB SER 71 HB2 SER 71 -7.883 -18.839 8.585 523 2HB SER 71 HB1 SER 71 -6.250 -19.459 8.328 524 HG SER 71 HG SER 71 -8.373 -20.602 9.801 525 H ASP 72 HN ASP 72 -4.581 -17.215 11.031 526 HA ASP 72 HA ASP 72 -5.562 -14.640 10.165 527 1HB ASP 72 HB2 ASP 72 -4.294 -14.856 12.262 528 2HB ASP 72 HB1 ASP 72 -2.896 -15.443 11.369 529 H PHE 73 HN PHE 73 -5.597 -14.421 7.983 530 HA PHE 73 HA PHE 73 -3.851 -15.722 6.212 531 1HB PHE 73 HB2 PHE 73 -5.669 -13.341 5.798 532 2HB PHE 73 HB1 PHE 73 -4.805 -14.149 4.490 533 HD1 PHE 73 HD2 PHE 73 -5.394 -16.422 3.820 534 HD2 PHE 73 HD1 PHE 73 -7.565 -14.394 6.871 535 HE1 PHE 73 HE2 PHE 73 -7.187 -18.095 3.650 536 HE2 PHE 73 HE1 PHE 73 -9.357 -16.070 6.709 537 HZ PHE 73 HZ PHE 73 -9.170 -17.923 5.097 538 H LEU 74 HN LEU 74 -2.058 -15.122 5.116 539 HA LEU 74 HA LEU 74 -0.647 -12.738 6.144 540 1HB LEU 74 HB2 LEU 74 0.528 -15.456 5.523 541 2HB LEU 74 HB1 LEU 74 1.420 -14.059 6.089 542 HG LEU 74 HG LEU 74 -0.689 -15.551 7.662 543 1HD1 LEU 74 HD11 LEU 74 1.352 -16.852 7.382 544 2HD1 LEU 74 HD12 LEU 74 1.179 -16.304 9.047 545 3HD1 LEU 74 HD13 LEU 74 2.314 -15.494 7.968 546 1HD2 LEU 74 HD21 LEU 74 -0.628 -13.179 8.239 547 2HD2 LEU 74 HD22 LEU 74 1.115 -13.274 8.492 548 3HD2 LEU 74 HD23 LEU 74 0.019 -14.167 9.548 549 H GLU 75 HN GLU 75 -0.752 -15.131 3.507 550 HA GLU 75 HA GLU 75 0.060 -13.124 1.564 551 1HB GLU 75 HB2 GLU 75 2.215 -13.836 2.402 552 2HB GLU 75 HB1 GLU 75 1.763 -15.529 2.264 553 1HG GLU 75 HG2 GLU 75 1.626 -15.231 -0.204 554 2HG GLU 75 HG1 GLU 75 2.244 -13.593 0.005 555 H LEU 76 HN LEU 76 -0.413 -13.705 -0.560 556 HA LEU 76 HA LEU 76 -1.766 -16.301 -0.956 557 1HB LEU 76 HB2 LEU 76 -3.243 -14.340 -1.252 558 2HB LEU 76 HB1 LEU 76 -2.149 -13.702 -2.465 559 HG LEU 76 HG LEU 76 -2.627 -15.673 -3.901 560 1HD1 LEU 76 HD11 LEU 76 -4.539 -17.117 -3.351 561 2HD1 LEU 76 HD12 LEU 76 -4.650 -16.353 -1.765 562 3HD1 LEU 76 HD13 LEU 76 -3.219 -17.291 -2.195 563 1HD2 LEU 76 HD21 LEU 76 -5.070 -14.121 -3.035 564 2HD2 LEU 76 HD22 LEU 76 -4.882 -14.993 -4.557 565 3HD2 LEU 76 HD23 LEU 76 -3.868 -13.593 -4.213 566 H ARG 77 HN ARG 77 -1.223 -17.505 -2.791 567 HA ARG 77 HA ARG 77 0.975 -16.535 -4.467 568 1HB ARG 77 HB2 ARG 77 2.014 -17.829 -2.652 569 2HB ARG 77 HB1 ARG 77 0.963 -19.194 -3.008 570 1HG ARG 77 HG2 ARG 77 2.014 -19.479 -5.179 571 2HG ARG 77 HG1 ARG 77 3.016 -18.052 -4.906 572 1HD ARG 77 HD2 ARG 77 4.052 -19.170 -2.970 573 2HD ARG 77 HD1 ARG 77 3.071 -20.601 -3.285 574 HE ARG 77 HE ARG 77 4.285 -20.895 -5.359 575 1HH1 ARG 77 HH11 ARG 77 5.660 -18.581 -3.116 576 2HH1 ARG 77 HH12 ARG 77 7.266 -18.729 -3.757 577 1HH2 ARG 77 HH21 ARG 77 6.394 -21.103 -6.190 578 2HH2 ARG 77 HH22 ARG 77 7.687 -20.174 -5.497 579 H VAL 78 HN VAL 78 -0.164 -16.446 -6.312 580 HA VAL 78 HA VAL 78 -2.144 -18.418 -7.018 581 HB VAL 78 HB VAL 78 -0.967 -16.226 -8.740 582 1HG1 VAL 78 HG11 VAL 78 -3.077 -16.402 -10.000 583 2HG1 VAL 78 HG12 VAL 78 -3.577 -17.743 -8.969 584 3HG1 VAL 78 HG13 VAL 78 -2.174 -17.917 -10.025 585 1HG2 VAL 78 HG21 VAL 78 -1.863 -15.270 -6.689 586 2HG2 VAL 78 HG22 VAL 78 -3.385 -16.127 -6.932 587 3HG2 VAL 78 HG23 VAL 78 -2.896 -14.862 -8.059 588 H LEU 79 HN LEU 79 -1.947 -20.090 -8.459 589 HA LEU 79 HA LEU 79 0.786 -20.668 -9.409 590 1HB LEU 79 HB2 LEU 79 -1.468 -22.605 -8.839 591 2HB LEU 79 HB1 LEU 79 0.154 -23.036 -9.348 592 HG LEU 79 HG LEU 79 -0.623 -21.780 -6.707 593 1HD1 LEU 79 HD11 LEU 79 0.169 -23.895 -5.752 594 2HD1 LEU 79 HD12 LEU 79 0.443 -24.524 -7.378 595 3HD1 LEU 79 HD13 LEU 79 -1.193 -24.135 -6.846 596 1HD2 LEU 79 HD21 LEU 79 2.111 -22.543 -7.745 597 2HD2 LEU 79 HD22 LEU 79 1.744 -22.045 -6.093 598 3HD2 LEU 79 HD23 LEU 79 1.528 -20.908 -7.423 599 H GLY 80 HN GLY 80 -2.613 -21.361 -10.299 600 1HA GLY 80 HA2 GLY 80 -1.972 -20.784 -13.101 601 2HA GLY 80 HA1 GLY 80 -2.543 -22.404 -12.718 602 H SER 81 HN SER 81 -3.972 -20.917 -14.489 603 HA SER 81 HA SER 81 -6.523 -20.653 -13.201 604 1HB SER 81 HB2 SER 81 -6.822 -18.241 -13.915 605 2HB SER 81 HB1 SER 81 -5.700 -18.483 -12.577 606 HG SER 81 HG SER 81 -4.681 -17.134 -13.980 607 H SER 82 HN SER 82 -8.209 -20.776 -14.658 608 HA SER 82 HA SER 82 -7.721 -20.414 -17.506 609 1HB SER 82 HB2 SER 82 -8.810 -23.033 -16.421 610 2HB SER 82 HB1 SER 82 -8.548 -22.626 -18.116 611 HG SER 82 HG SER 82 -6.249 -22.227 -16.929 612 H GLU 83 HN GLU 83 -9.494 -19.618 -18.519 613 HA GLU 83 HA GLU 83 -12.081 -19.739 -17.100 614 1HB GLU 83 HB2 GLU 83 -11.320 -17.443 -17.188 615 2HB GLU 83 HB1 GLU 83 -10.971 -17.574 -18.908 616 1HG GLU 83 HG2 GLU 83 -13.310 -17.759 -19.429 617 2HG GLU 83 HG1 GLU 83 -13.728 -17.835 -17.723 618 H LYS 84 HN LYS 84 -13.426 -21.115 -18.051 619 HA LYS 84 HA LYS 84 -13.267 -21.500 -20.974 620 1HB LYS 84 HB2 LYS 84 -14.504 -23.357 -18.918 621 2HB LYS 84 HB1 LYS 84 -14.252 -23.693 -20.625 622 1HG LYS 84 HG2 LYS 84 -12.085 -23.295 -18.565 623 2HG LYS 84 HG1 LYS 84 -12.611 -24.841 -19.234 624 1HD LYS 84 HD2 LYS 84 -11.461 -22.574 -20.866 625 2HD LYS 84 HD1 LYS 84 -10.525 -23.942 -20.266 626 1HE LYS 84 HE2 LYS 84 -11.885 -25.480 -21.572 627 2HE LYS 84 HE1 LYS 84 -12.908 -24.149 -22.114 628 1HZ LYS 84 HZ1 LYS 84 -11.223 -24.818 -23.756 629 2HZ LYS 84 HZ2 LYS 84 -10.002 -24.369 -22.678 630 3HZ LYS 84 HZ3 LYS 84 -11.067 -23.201 -23.289 631 H GLY 85 HN GLY 85 -14.521 -19.259 -20.292 632 1HA GLY 85 HA2 GLY 85 -16.466 -18.142 -20.800 633 2HA GLY 85 HA1 GLY 85 -17.200 -19.684 -21.214 634 H SER 86 HN SER 86 -18.576 -20.623 -19.796 635 HA SER 86 HA SER 86 -19.391 -19.010 -17.523 636 1HB SER 86 HB2 SER 86 -20.612 -21.584 -18.555 637 2HB SER 86 HB1 SER 86 -21.366 -20.406 -17.479 638 HG SER 86 HG SER 86 -20.471 -19.254 -19.780 639 H ARG 87 HN ARG 87 -17.403 -21.696 -18.072 640 HA ARG 87 HA ARG 87 -17.486 -22.442 -15.212 641 1HB ARG 87 HB2 ARG 87 -18.167 -24.292 -16.693 642 2HB ARG 87 HB1 ARG 87 -16.679 -24.121 -17.608 643 1HG ARG 87 HG2 ARG 87 -16.453 -26.004 -16.165 644 2HG ARG 87 HG1 ARG 87 -15.409 -24.723 -15.551 645 1HD ARG 87 HD2 ARG 87 -17.007 -24.191 -13.815 646 2HD ARG 87 HD1 ARG 87 -18.170 -25.338 -14.485 647 HE ARG 87 HE ARG 87 -15.689 -26.596 -13.832 648 1HH1 ARG 87 HH11 ARG 87 -18.676 -25.431 -12.404 649 2HH1 ARG 87 HH12 ARG 87 -18.611 -26.543 -11.075 650 1HH2 ARG 87 HH21 ARG 87 -15.613 -28.045 -12.088 651 2HH2 ARG 87 HH22 ARG 87 -16.870 -28.026 -10.887 652 H GLY 88 HN GLY 88 -15.590 -22.221 -14.082 653 1HA GLY 88 HA2 GLY 88 -13.109 -21.777 -15.603 654 2HA GLY 88 HA1 GLY 88 -13.645 -20.534 -14.482 655 H THR 89 HN THR 89 -11.197 -22.028 -14.408 656 HA THR 89 HA THR 89 -11.452 -23.108 -11.690 657 HB THR 89 HB THR 89 -9.806 -24.463 -13.851 658 HG1 THR 89 HG1 THR 89 -12.142 -24.701 -14.092 659 1HG2 THR 89 HG21 THR 89 -10.503 -25.322 -11.033 660 2HG2 THR 89 HG22 THR 89 -8.927 -24.742 -11.574 661 3HG2 THR 89 HG23 THR 89 -9.569 -26.261 -12.199 662 H VAL 90 HN VAL 90 -9.786 -22.516 -10.366 663 HA VAL 90 HA VAL 90 -7.319 -21.487 -11.546 664 HB VAL 90 HB VAL 90 -8.616 -19.466 -11.300 665 1HG1 VAL 90 HG11 VAL 90 -10.265 -20.260 -9.685 666 2HG1 VAL 90 HG12 VAL 90 -9.550 -18.733 -9.170 667 3HG1 VAL 90 HG13 VAL 90 -9.041 -20.244 -8.414 668 1HG2 VAL 90 HG21 VAL 90 -6.246 -19.297 -10.741 669 2HG2 VAL 90 HG22 VAL 90 -6.597 -19.694 -9.059 670 3HG2 VAL 90 HG23 VAL 90 -7.196 -18.188 -9.753 671 H GLU 91 HN GLU 91 -5.561 -21.972 -10.395 672 HA GLU 91 HA GLU 91 -5.946 -23.370 -7.830 673 1HB GLU 91 HB2 GLU 91 -5.098 -24.839 -9.560 674 2HB GLU 91 HB1 GLU 91 -3.822 -23.697 -9.962 675 1HG GLU 91 HG2 GLU 91 -2.745 -24.070 -7.845 676 2HG GLU 91 HG1 GLU 91 -4.082 -25.081 -7.299 677 H PHE 92 HN PHE 92 -4.819 -22.723 -6.070 678 HA PHE 92 HA PHE 92 -2.584 -20.913 -6.280 679 1HB PHE 92 HB2 PHE 92 -3.652 -19.112 -4.938 680 2HB PHE 92 HB1 PHE 92 -4.388 -19.306 -6.524 681 HD1 PHE 92 HD2 PHE 92 -6.641 -20.230 -6.753 682 HD2 PHE 92 HD1 PHE 92 -4.883 -19.617 -2.917 683 HE1 PHE 92 HE2 PHE 92 -8.853 -20.457 -5.704 684 HE2 PHE 92 HE1 PHE 92 -7.096 -19.843 -1.866 685 HZ PHE 92 HZ PHE 92 -9.084 -20.263 -3.259 686 H ILE 93 HN ILE 93 -1.889 -20.202 -4.055 687 HA ILE 93 HA ILE 93 -2.534 -22.191 -1.980 688 HB ILE 93 HB ILE 93 0.190 -21.008 -2.607 689 1HG1 ILE 93 HG12 ILE 93 -0.767 -23.884 -2.666 690 2HG1 ILE 93 HG11 ILE 93 -0.492 -22.884 -4.086 691 1HG2 ILE 93 HG21 ILE 93 1.023 -22.363 -0.727 692 2HG2 ILE 93 HG22 ILE 93 -0.633 -22.833 -0.341 693 3HG2 ILE 93 HG23 ILE 93 -0.139 -21.146 -0.198 694 1HD1 ILE 93 HD11 ILE 93 1.351 -24.414 -3.705 695 2HD1 ILE 93 HD12 ILE 93 1.600 -23.738 -2.095 696 3HD1 ILE 93 HD13 ILE 93 1.878 -22.742 -3.524 697 H ALA 94 HN ALA 94 -3.372 -21.236 -0.246 698 HA ALA 94 HA ALA 94 -2.888 -18.373 0.210 699 1HB ALA 94 HB1 ALA 94 -5.232 -19.083 0.077 700 2HB ALA 94 HB2 ALA 94 -4.839 -18.463 1.681 701 3HB ALA 94 HB3 ALA 94 -4.973 -20.203 1.415 702 H ARG 95 HN ARG 95 -1.355 -17.874 1.634 703 HA ARG 95 HA ARG 95 -0.554 -19.811 3.678 704 1HB ARG 95 HB2 ARG 95 1.250 -18.714 2.395 705 2HB ARG 95 HB1 ARG 95 0.673 -17.137 2.924 706 1HG ARG 95 HG2 ARG 95 1.021 -18.190 5.326 707 2HG ARG 95 HG1 ARG 95 2.144 -19.233 4.458 708 1HD ARG 95 HD2 ARG 95 2.200 -16.214 4.545 709 2HD ARG 95 HD1 ARG 95 3.281 -17.297 5.417 710 HE ARG 95 HE ARG 95 3.209 -17.135 2.465 711 1HH1 ARG 95 HH11 ARG 95 4.968 -17.315 5.496 712 2HH1 ARG 95 HH12 ARG 95 6.526 -17.256 4.734 713 1HH2 ARG 95 HH21 ARG 95 5.243 -17.014 1.469 714 2HH2 ARG 95 HH22 ARG 95 6.687 -17.088 2.434 715 H PHE 96 HN PHE 96 -1.383 -19.683 5.643 716 HA PHE 96 HA PHE 96 -1.962 -17.058 6.791 717 1HB PHE 96 HB2 PHE 96 -4.056 -18.149 7.855 718 2HB PHE 96 HB1 PHE 96 -4.154 -17.609 6.185 719 HD1 PHE 96 HD1 PHE 96 -3.189 -20.713 8.059 720 HD2 PHE 96 HD2 PHE 96 -5.214 -19.012 4.719 721 HE1 PHE 96 HE1 PHE 96 -3.931 -22.951 7.368 722 HE2 PHE 96 HE2 PHE 96 -5.964 -21.250 4.033 723 HZ PHE 96 HZ PHE 96 -5.323 -23.224 5.360 724 H ARG 97 HN ARG 97 -1.995 -17.056 9.085 725 HA ARG 97 HA ARG 97 -0.182 -19.009 10.228 726 1HB ARG 97 HB2 ARG 97 0.112 -16.540 10.535 727 2HB ARG 97 HB1 ARG 97 -1.392 -16.509 11.441 728 1HG ARG 97 HG2 ARG 97 -0.447 -17.844 13.187 729 2HG ARG 97 HG1 ARG 97 1.015 -18.137 12.235 730 1HD ARG 97 HD2 ARG 97 1.093 -16.333 14.085 731 2HD ARG 97 HD1 ARG 97 1.783 -15.954 12.508 732 HE ARG 97 HE ARG 97 -0.226 -14.672 12.021 733 1HH1 ARG 97 HH11 ARG 97 0.312 -15.509 15.379 734 2HH1 ARG 97 HH12 ARG 97 -0.699 -14.236 15.984 735 1HH2 ARG 97 HH21 ARG 97 -1.532 -12.999 12.800 736 2HH2 ARG 97 HH22 ARG 97 -1.756 -12.802 14.512 737 H ARG 98 HN ARG 98 -1.022 -20.782 11.071 738 HA ARG 98 HA ARG 98 -3.832 -21.088 11.408 739 1HB ARG 98 HB2 ARG 98 -2.210 -22.861 10.612 740 2HB ARG 98 HB1 ARG 98 -1.660 -23.010 12.275 741 1HG ARG 98 HG2 ARG 98 -3.252 -24.758 11.735 742 2HG ARG 98 HG1 ARG 98 -3.915 -23.677 12.964 743 1HD ARG 98 HD2 ARG 98 -5.267 -22.549 11.299 744 2HD ARG 98 HD1 ARG 98 -4.527 -23.498 10.008 745 HE ARG 98 HE ARG 98 -5.561 -25.408 11.586 746 1HH1 ARG 98 HH11 ARG 98 -6.996 -22.463 10.311 747 2HH1 ARG 98 HH12 ARG 98 -8.593 -23.139 10.256 748 1HH2 ARG 98 HH21 ARG 98 -7.651 -26.287 11.447 749 2HH2 ARG 98 HH22 ARG 98 -8.961 -25.304 10.871 750 H GLY 99 HN GLY 99 -4.897 -20.311 13.088 751 1HA GLY 99 HA2 GLY 99 -5.510 -19.789 15.230 752 2HA GLY 99 HA1 GLY 99 -4.424 -21.070 15.753 753 H GLY 100 HN GLY 100 -2.318 -20.578 16.331 754 1HA GLY 100 HA2 GLY 100 -1.323 -17.860 16.088 755 2HA GLY 100 HA1 GLY 100 -1.648 -18.394 17.734 756 H GLY 101 HN GLY 101 -0.601 -20.643 15.298 757 1HA GLY 101 HA2 GLY 101 2.002 -20.832 16.696 758 2HA GLY 101 HA1 GLY 101 1.110 -22.227 16.114 759 HA PRO 102 HA PRO 102 3.744 -21.818 12.593 760 1HB PRO 102 HB2 PRO 102 2.951 -23.951 11.214 761 2HB PRO 102 HB1 PRO 102 3.679 -24.143 12.816 762 1HG PRO 102 HG2 PRO 102 0.779 -24.202 12.039 763 2HG PRO 102 HG1 PRO 102 1.662 -25.280 13.137 764 1HD PRO 102 HD2 PRO 102 0.127 -23.119 13.948 765 2HD PRO 102 HD1 PRO 102 1.435 -23.840 14.907 766 H GLU 103 HN GLU 103 3.766 -21.233 10.399 767 HA GLU 103 HA GLU 103 1.341 -20.079 9.321 768 1HB GLU 103 HB2 GLU 103 4.089 -20.363 8.072 769 2HB GLU 103 HB1 GLU 103 2.756 -19.415 7.427 770 1HG GLU 103 HG2 GLU 103 2.836 -17.914 9.295 771 2HG GLU 103 HG1 GLU 103 4.055 -18.910 10.087 772 H GLN 104 HN GLN 104 -0.106 -21.378 8.452 773 HA GLN 104 HA GLN 104 0.736 -23.901 7.209 774 1HB GLN 104 HB2 GLN 104 -0.986 -23.905 9.056 775 2HB GLN 104 HB1 GLN 104 -2.064 -23.040 7.972 776 1HG GLN 104 HG2 GLN 104 -2.022 -24.920 6.412 777 2HG GLN 104 HG1 GLN 104 -0.918 -25.786 7.480 778 1HE2 GLN 104 HE21 GLN 104 -4.188 -24.753 6.967 779 2HE2 GLN 104 HE22 GLN 104 -4.902 -25.697 8.227 780 H SER 105 HN SER 105 0.219 -24.386 5.109 781 HA SER 105 HA SER 105 -0.765 -22.129 3.491 782 1HB SER 105 HB2 SER 105 0.667 -23.145 1.662 783 2HB SER 105 HB1 SER 105 1.567 -22.495 3.033 784 HG SER 105 HG SER 105 0.887 -25.227 2.630 785 H HIS 106 HN HIS 106 -2.736 -22.497 2.737 786 HA HIS 106 HA HIS 106 -3.658 -25.235 2.303 787 1HB HIS 106 HB2 HIS 106 -5.093 -23.610 3.551 788 2HB HIS 106 HB1 HIS 106 -5.218 -22.644 2.086 789 HD1 HIS 106 HD1 HIS 106 -6.755 -25.449 3.838 790 HD2 HIS 106 HD2 HIS 106 -6.625 -24.044 -0.068 791 HE1 HIS 106 HE1 HIS 106 -8.671 -26.563 2.657 792 HE2 HIS 106 HE2 HIS 106 -8.698 -25.518 0.367 793 H HIS 107 HN HIS 107 -3.068 -26.035 0.411 794 HA HIS 107 HA HIS 107 -3.168 -24.347 -2.002 795 1HB HIS 107 HB2 HIS 107 -1.024 -25.412 -1.701 796 2HB HIS 107 HB1 HIS 107 -1.773 -26.971 -1.409 797 HD1 HIS 107 HD1 HIS 107 0.050 -27.573 -3.355 798 HD2 HIS 107 HD2 HIS 107 -3.337 -25.473 -4.538 799 HE1 HIS 107 HE1 HIS 107 -0.118 -27.903 -5.837 800 HE2 HIS 107 HE2 HIS 107 -2.285 -26.809 -6.486 801 H GLU 108 HN GLU 108 -4.941 -24.529 -3.205 802 HA GLU 108 HA GLU 108 -6.021 -27.173 -3.741 803 1HB GLU 108 HB2 GLU 108 -8.299 -26.634 -3.220 804 2HB GLU 108 HB1 GLU 108 -7.330 -26.308 -1.792 805 1HG GLU 108 HG2 GLU 108 -7.438 -23.946 -2.172 806 2HG GLU 108 HG1 GLU 108 -8.201 -24.185 -3.745 807 H ARG 109 HN ARG 109 -7.915 -26.887 -5.353 808 HA ARG 109 HA ARG 109 -7.307 -24.731 -7.268 809 1HB ARG 109 HB2 ARG 109 -6.334 -26.996 -7.889 810 2HB ARG 109 HB1 ARG 109 -7.981 -27.592 -8.012 811 1HG ARG 109 HG2 ARG 109 -8.439 -26.060 -9.822 812 2HG ARG 109 HG1 ARG 109 -6.842 -25.329 -9.643 813 1HD ARG 109 HD2 ARG 109 -7.425 -28.183 -10.449 814 2HD ARG 109 HD1 ARG 109 -6.856 -26.894 -11.510 815 HE ARG 109 HE ARG 109 -5.028 -27.155 -9.403 816 1HH1 ARG 109 HH11 ARG 109 -6.135 -28.999 -12.172 817 2HH1 ARG 109 HH12 ARG 109 -4.639 -29.860 -12.350 818 1HH2 ARG 109 HH21 ARG 109 -3.063 -28.267 -9.645 819 2HH2 ARG 109 HH22 ARG 109 -2.880 -29.430 -10.923 820 H SER 110 HN SER 110 -9.074 -23.485 -7.062 821 HA SER 110 HA SER 110 -11.632 -24.707 -6.373 822 1HB SER 110 HB2 SER 110 -10.930 -21.766 -6.548 823 2HB SER 110 HB1 SER 110 -12.319 -22.487 -5.734 824 HG SER 110 HG SER 110 -10.661 -23.610 -4.409 825 H GLN 111 HN GLN 111 -13.353 -24.785 -7.684 826 HA GLN 111 HA GLN 111 -13.123 -23.630 -10.375 827 1HB GLN 111 HB2 GLN 111 -15.021 -25.733 -9.299 828 2HB GLN 111 HB1 GLN 111 -15.024 -25.128 -10.948 829 1HG GLN 111 HG2 GLN 111 -13.913 -27.229 -10.936 830 2HG GLN 111 HG1 GLN 111 -12.699 -25.982 -11.205 831 1HE2 GLN 111 HE21 GLN 111 -11.032 -27.334 -10.484 832 2HE2 GLN 111 HE22 GLN 111 -10.822 -27.711 -8.809 833 H PHE 112 HN PHE 112 -14.620 -22.241 -11.173 834 HA PHE 112 HA PHE 112 -16.641 -21.172 -9.304 835 1HB PHE 112 HB2 PHE 112 -14.762 -19.622 -11.118 836 2HB PHE 112 HB1 PHE 112 -16.140 -18.909 -10.289 837 HD1 PHE 112 HD1 PHE 112 -12.905 -20.647 -9.712 838 HD2 PHE 112 HD2 PHE 112 -15.948 -18.154 -8.076 839 HE1 PHE 112 HE1 PHE 112 -11.498 -20.221 -7.741 840 HE2 PHE 112 HE2 PHE 112 -14.542 -17.729 -6.103 841 HZ PHE 112 HZ PHE 112 -12.315 -18.763 -5.934 842 H ARG 113 HN ARG 113 -18.342 -19.909 -10.466 843 HA ARG 113 HA ARG 113 -18.816 -20.867 -13.208 844 1HB ARG 113 HB2 ARG 113 -20.170 -22.206 -11.679 845 2HB ARG 113 HB1 ARG 113 -20.832 -20.752 -10.948 846 1HG ARG 113 HG2 ARG 113 -22.215 -20.313 -12.738 847 2HG ARG 113 HG1 ARG 113 -21.194 -21.188 -13.881 848 1HD ARG 113 HD2 ARG 113 -23.358 -22.322 -13.359 849 2HD ARG 113 HD1 ARG 113 -21.930 -23.302 -13.036 850 HE ARG 113 HE ARG 113 -23.016 -21.831 -10.768 851 1HH1 ARG 113 HH11 ARG 113 -22.796 -24.881 -12.484 852 2HH1 ARG 113 HH12 ARG 113 -23.411 -25.818 -11.160 853 1HH2 ARG 113 HH21 ARG 113 -23.797 -23.062 -9.017 854 2HH2 ARG 113 HH22 ARG 113 -23.970 -24.783 -9.180 855 H LYS 114 HN LYS 114 -19.514 -19.361 -14.605 856 HA LYS 114 HA LYS 114 -19.475 -16.591 -13.660 857 1HB LYS 114 HB2 LYS 114 -18.025 -17.568 -15.565 858 2HB LYS 114 HB1 LYS 114 -19.488 -17.479 -16.535 859 1HG LYS 114 HG2 LYS 114 -19.600 -15.103 -16.271 860 2HG LYS 114 HG1 LYS 114 -18.287 -15.125 -15.089 861 1HD LYS 114 HD2 LYS 114 -16.855 -16.140 -16.952 862 2HD LYS 114 HD1 LYS 114 -18.149 -15.660 -18.052 863 1HE LYS 114 HE2 LYS 114 -17.900 -13.345 -17.353 864 2HE LYS 114 HE1 LYS 114 -16.651 -13.806 -16.204 865 1HZ LYS 114 HZ1 LYS 114 -16.400 -14.286 -19.122 866 2HZ LYS 114 HZ2 LYS 114 -15.188 -14.405 -17.947 867 3HZ LYS 114 HZ3 LYS 114 -15.820 -12.891 -18.363 868 H ALA 115 HN ALA 115 -21.451 -15.909 -13.064 869 HA ALA 115 HA ALA 115 -23.691 -16.328 -14.948 870 1HB ALA 115 HB1 ALA 115 -24.091 -17.428 -12.796 871 2HB ALA 115 HB2 ALA 115 -25.213 -16.090 -13.044 872 3HB ALA 115 HB3 ALA 115 -23.837 -15.897 -11.959 873 H ARG 116 HN ARG 116 -24.401 -14.554 -15.932 874 HA ARG 116 HA ARG 116 -24.589 -12.393 -16.598 875 1HB ARG 116 HB2 ARG 116 -24.968 -12.214 -13.634 876 2HB ARG 116 HB1 ARG 116 -24.809 -10.717 -14.540 877 1HG ARG 116 HG2 ARG 116 -27.141 -11.287 -14.239 878 2HG ARG 116 HG1 ARG 116 -26.705 -11.356 -15.946 879 1HD ARG 116 HD2 ARG 116 -28.098 -13.239 -15.428 880 2HD ARG 116 HD1 ARG 116 -26.461 -13.818 -15.732 881 HE ARG 116 HE ARG 116 -26.570 -13.483 -13.021 882 1HH1 ARG 116 HH11 ARG 116 -28.440 -15.292 -15.364 883 2HH1 ARG 116 HH12 ARG 116 -28.895 -16.526 -14.231 884 1HH2 ARG 116 HH21 ARG 116 -27.152 -15.119 -11.537 885 2HH2 ARG 116 HH22 ARG 116 -28.172 -16.426 -12.063 886 H GLY 117 HN GLY 117 -21.886 -13.528 -16.014 887 1HA GLY 117 HA2 GLY 117 -19.825 -12.598 -16.651 888 2HA GLY 117 HA1 GLY 117 -20.441 -10.999 -16.271 889 H ARG 118 HN ARG 118 -21.374 -12.467 -13.626 890 HA ARG 118 HA ARG 118 -18.916 -11.800 -12.196 891 1HB ARG 118 HB2 ARG 118 -21.605 -12.568 -11.026 892 2HB ARG 118 HB1 ARG 118 -20.234 -11.902 -10.155 893 1HG ARG 118 HG2 ARG 118 -21.582 -10.053 -10.372 894 2HG ARG 118 HG1 ARG 118 -20.528 -9.874 -11.776 895 1HD ARG 118 HD2 ARG 118 -22.260 -10.942 -13.175 896 2HD ARG 118 HD1 ARG 118 -23.313 -11.049 -11.765 897 HE ARG 118 HE ARG 118 -22.373 -8.470 -12.862 898 1HH1 ARG 118 HH11 ARG 118 -24.909 -10.478 -11.517 899 2HH1 ARG 118 HH12 ARG 118 -26.137 -9.266 -11.691 900 1HH2 ARG 118 HH21 ARG 118 -23.999 -6.877 -13.100 901 2HH2 ARG 118 HH22 ARG 118 -25.623 -7.224 -12.594 902 H TRP 119 HN TRP 119 -17.679 -13.271 -11.130 903 HA TRP 119 HA TRP 119 -18.224 -16.082 -11.665 904 1HB TRP 119 HB2 TRP 119 -15.790 -14.568 -10.745 905 2HB TRP 119 HB1 TRP 119 -15.873 -16.321 -10.596 906 HD1 TRP 119 HD1 TRP 119 -15.208 -13.599 -13.114 907 HE1 TRP 119 HE1 TRP 119 -14.680 -14.672 -15.403 908 HE3 TRP 119 HE3 TRP 119 -16.581 -18.401 -12.091 909 HZ2 TRP 119 HZ2 TRP 119 -14.859 -17.202 -16.600 910 HZ3 TRP 119 HZ3 TRP 119 -16.380 -20.093 -13.868 911 HH2 TRP 119 HH2 TRP 119 -15.532 -19.502 -16.081 912 H TYR 120 HN TYR 120 -18.955 -17.447 -10.216 913 HA TYR 120 HA TYR 120 -18.978 -16.657 -7.372 914 1HB TYR 120 HB2 TYR 120 -21.019 -18.321 -8.878 915 2HB TYR 120 HB1 TYR 120 -21.072 -17.943 -7.162 916 HD1 TYR 120 HD1 TYR 120 -21.692 -15.699 -6.397 917 HD2 TYR 120 HD2 TYR 120 -21.608 -16.655 -10.546 918 HE1 TYR 120 HE1 TYR 120 -23.003 -13.679 -6.884 919 HE2 TYR 120 HE2 TYR 120 -22.912 -14.633 -11.043 920 HH TYR 120 HH TYR 120 -23.413 -12.149 -8.816 921 H PHE 121 HN PHE 121 -18.158 -18.084 -5.948 922 HA PHE 121 HA PHE 121 -16.585 -20.257 -6.728 923 1HB PHE 121 HB2 PHE 121 -16.127 -19.239 -4.638 924 2HB PHE 121 HB1 PHE 121 -17.775 -19.467 -4.067 925 HD1 PHE 121 HD1 PHE 121 -14.566 -21.149 -4.744 926 HD2 PHE 121 HD2 PHE 121 -18.467 -21.532 -3.071 927 HE1 PHE 121 HE1 PHE 121 -13.900 -23.255 -3.666 928 HE2 PHE 121 HE2 PHE 121 -17.807 -23.639 -1.995 929 HZ PHE 121 HZ PHE 121 -15.515 -24.503 -2.285 930 H SER 122 HN SER 122 -17.118 -22.219 -7.416 931 HA SER 122 HA SER 122 -19.842 -23.215 -6.934 932 1HB SER 122 HB2 SER 122 -17.765 -24.124 -8.950 933 2HB SER 122 HB1 SER 122 -19.420 -24.724 -8.830 934 HG SER 122 HG SER 122 -19.306 -22.004 -8.994 935 H GLU 123 HN GLU 123 -16.435 -24.221 -6.803 936 HA GLU 123 HA GLU 123 -16.874 -25.966 -4.584 937 1HB GLU 123 HB2 GLU 123 -16.281 -28.077 -5.739 938 2HB GLU 123 HB1 GLU 123 -17.804 -27.413 -6.321 939 1HG GLU 123 HG2 GLU 123 -16.615 -26.462 -8.264 940 2HG GLU 123 HG1 GLU 123 -15.128 -27.215 -7.695 941 H GLY 124 HN GLY 124 -14.818 -27.230 -4.113 942 1HA GLY 124 HA2 GLY 124 -12.397 -26.313 -5.425 943 2HA GLY 124 HA1 GLY 124 -12.593 -25.765 -3.763 944 H GLU 125 HN GLU 125 -10.460 -27.398 -4.542 945 HA GLU 125 HA GLU 125 -10.836 -29.664 -2.808 946 1HB GLU 125 HB2 GLU 125 -10.254 -31.366 -4.513 947 2HB GLU 125 HB1 GLU 125 -11.801 -30.593 -4.834 948 1HG GLU 125 HG2 GLU 125 -10.721 -29.148 -6.506 949 2HG GLU 125 HG1 GLU 125 -9.186 -29.959 -6.201 950 H ALA 126 HN ALA 126 -8.949 -30.266 -1.891 951 HA ALA 126 HA ALA 126 -6.497 -28.934 -2.511 952 1HB ALA 126 HB1 ALA 126 -6.985 -31.370 -0.779 953 2HB ALA 126 HB2 ALA 126 -7.011 -29.693 -0.233 954 3HB ALA 126 HB3 ALA 126 -5.507 -30.406 -0.815 955 H VAL 127 HN VAL 127 -5.085 -29.456 -4.062 956 HA VAL 127 HA VAL 127 -5.728 -31.693 -5.786 957 HB VAL 127 HB VAL 127 -3.474 -29.714 -6.159 958 1HG1 VAL 127 HG11 VAL 127 -5.078 -31.341 -8.137 959 2HG1 VAL 127 HG12 VAL 127 -3.422 -31.668 -7.625 960 3HG1 VAL 127 HG13 VAL 127 -3.790 -30.204 -8.537 961 1HG2 VAL 127 HG21 VAL 127 -5.048 -28.359 -7.485 962 2HG2 VAL 127 HG22 VAL 127 -5.486 -28.429 -5.778 963 3HG2 VAL 127 HG23 VAL 127 -6.368 -29.404 -6.956 964 H ASP 128 HN ASP 128 -4.511 -33.475 -6.160 965 HA ASP 128 HA ASP 128 -2.361 -34.089 -4.305 966 1HB ASP 128 HB2 ASP 128 -4.006 -35.827 -4.702 967 2HB ASP 128 HB1 ASP 128 -3.742 -35.745 -6.440 Start of MODEL 14 1 1H MET 1 HT1 MET 1 0.209 1.381 1.995 2 2H MET 1 HT2 MET 1 -1.026 0.247 1.776 3 3H MET 1 HT3 MET 1 -0.444 1.129 0.456 4 HA MET 1 HA MET 1 1.698 0.079 0.628 5 1HB MET 1 HB2 MET 1 0.405 -1.534 2.851 6 2HB MET 1 HB1 MET 1 1.998 -1.832 2.171 7 1HG MET 1 HG2 MET 1 2.710 0.401 2.954 8 2HG MET 1 HG1 MET 1 1.130 0.608 3.710 9 1HE MET 1 HE1 MET 1 2.276 1.131 6.025 10 2HE MET 1 HE2 MET 1 3.875 0.930 5.306 11 3HE MET 1 HE3 MET 1 3.464 0.082 6.797 12 H ASN 2 HN ASN 2 1.953 -2.514 0.254 13 HA ASN 2 HA ASN 2 0.342 -3.110 -1.978 14 1HB ASN 2 HB2 ASN 2 1.446 -5.287 -2.004 15 2HB ASN 2 HB1 ASN 2 2.624 -4.023 -1.674 16 1HD2 ASN 2 HD21 ASN 2 0.909 -6.755 -0.373 17 2HD2 ASN 2 HD22 ASN 2 1.856 -6.925 1.062 18 H CYS 3 HN CYS 3 -1.224 -4.729 -2.270 19 HA CYS 3 HA CYS 3 -3.051 -5.000 -0.039 20 1HB CYS 3 HB2 CYS 3 -3.599 -4.569 -2.559 21 2HB CYS 3 HB1 CYS 3 -3.397 -6.312 -2.728 22 H VAL 4 HN VAL 4 -3.516 -6.888 1.058 23 HA VAL 4 HA VAL 4 -1.775 -9.121 0.866 24 HB VAL 4 HB VAL 4 -3.485 -10.273 2.344 25 1HG1 VAL 4 HG11 VAL 4 -2.938 -8.885 4.296 26 2HG1 VAL 4 HG12 VAL 4 -2.433 -7.579 3.223 27 3HG1 VAL 4 HG13 VAL 4 -1.541 -9.100 3.240 28 1HG2 VAL 4 HG21 VAL 4 -5.469 -9.054 1.592 29 2HG2 VAL 4 HG22 VAL 4 -4.805 -7.552 2.231 30 3HG2 VAL 4 HG23 VAL 4 -5.243 -8.860 3.330 31 H CYS 5 HN CYS 5 -1.909 -9.447 -1.395 32 HA CYS 5 HA CYS 5 -3.607 -11.616 -2.117 33 1HB CYS 5 HB2 CYS 5 -3.954 -9.079 -3.727 34 2HB CYS 5 HB1 CYS 5 -4.711 -10.631 -4.047 35 H GLY 6 HN GLY 6 -2.555 -12.849 -3.652 36 1HA GLY 6 HA2 GLY 6 -0.041 -12.214 -4.700 37 2HA GLY 6 HA1 GLY 6 -1.139 -13.415 -5.371 38 H SER 7 HN SER 7 -0.071 -10.107 -5.513 39 HA SER 7 HA SER 7 -0.838 -9.723 -8.215 40 1HB SER 7 HB2 SER 7 -2.506 -7.852 -7.723 41 2HB SER 7 HB1 SER 7 -3.090 -9.488 -7.415 42 HG SER 7 HG SER 7 -2.124 -8.917 -5.168 43 H GLY 8 HN GLY 8 -0.234 -8.106 -5.119 44 1HA GLY 8 HA2 GLY 8 1.700 -6.871 -4.597 45 2HA GLY 8 HA1 GLY 8 2.017 -6.673 -6.315 46 H LYS 9 HN LYS 9 -0.917 -5.963 -6.615 47 HA LYS 9 HA LYS 9 -0.545 -3.155 -6.596 48 1HB LYS 9 HB2 LYS 9 -3.232 -4.505 -6.860 49 2HB LYS 9 HB1 LYS 9 -2.677 -3.008 -7.604 50 1HG LYS 9 HG2 LYS 9 -0.934 -4.578 -8.759 51 2HG LYS 9 HG1 LYS 9 -2.092 -5.833 -8.359 52 1HD LYS 9 HD2 LYS 9 -2.773 -3.339 -9.925 53 2HD LYS 9 HD1 LYS 9 -2.366 -4.892 -10.656 54 1HE LYS 9 HE2 LYS 9 -4.283 -5.895 -9.386 55 2HE LYS 9 HE1 LYS 9 -4.732 -4.264 -8.889 56 1HZ LYS 9 HZ1 LYS 9 -4.545 -5.205 -11.701 57 2HZ LYS 9 HZ2 LYS 9 -5.028 -3.666 -11.199 58 3HZ LYS 9 HZ3 LYS 9 -5.981 -5.012 -10.830 59 H THR 10 HN THR 10 -2.076 -1.632 -5.549 60 HA THR 10 HA THR 10 -1.937 -1.960 -2.726 61 HB THR 10 HB THR 10 -2.919 0.242 -2.577 62 HG1 THR 10 HG1 THR 10 -3.470 1.024 -4.969 63 1HG2 THR 10 HG21 THR 10 -1.173 0.092 -5.044 64 2HG2 THR 10 HG22 THR 10 -0.595 0.166 -3.379 65 3HG2 THR 10 HG23 THR 10 -1.466 1.533 -4.070 66 H TYR 11 HN TYR 11 -4.023 -1.243 -1.420 67 HA TYR 11 HA TYR 11 -5.994 -3.229 -1.610 68 1HB TYR 11 HB2 TYR 11 -5.730 -2.091 0.481 69 2HB TYR 11 HB1 TYR 11 -5.984 -0.517 -0.264 70 HD1 TYR 11 HD2 TYR 11 -7.729 -3.733 0.477 71 HD2 TYR 11 HD1 TYR 11 -8.133 0.441 -0.276 72 HE1 TYR 11 HE2 TYR 11 -10.120 -3.866 1.031 73 HE2 TYR 11 HE1 TYR 11 -10.526 0.314 0.278 74 HH TYR 11 HH TYR 11 -12.324 -1.368 0.354 75 H ASP 12 HN ASP 12 -6.012 0.162 -2.615 76 HA ASP 12 HA ASP 12 -8.604 0.194 -3.715 77 1HB ASP 12 HB2 ASP 12 -7.529 2.263 -3.124 78 2HB ASP 12 HB1 ASP 12 -6.185 1.941 -4.215 79 H ASP 13 HN ASP 13 -5.435 0.031 -5.356 80 HA ASP 13 HA ASP 13 -6.464 -0.191 -7.958 81 1HB ASP 13 HB2 ASP 13 -3.798 -1.045 -6.806 82 2HB ASP 13 HB1 ASP 13 -4.175 -1.159 -8.521 83 H CYS 14 HN CYS 14 -6.067 -2.578 -5.473 84 HA CYS 14 HA CYS 14 -6.583 -4.728 -7.406 85 1HB CYS 14 HB2 CYS 14 -4.750 -5.347 -6.117 86 2HB CYS 14 HB1 CYS 14 -5.434 -4.702 -4.636 87 H CYS 15 HN CYS 15 -7.632 -4.438 -3.982 88 HA CYS 15 HA CYS 15 -10.029 -5.888 -4.634 89 1HB CYS 15 HB2 CYS 15 -8.978 -4.725 -2.061 90 2HB CYS 15 HB1 CYS 15 -10.579 -5.451 -2.168 91 H GLY 16 HN GLY 16 -9.242 -2.551 -4.574 92 1HA GLY 16 HA2 GLY 16 -11.391 -1.348 -3.346 93 2HA GLY 16 HA1 GLY 16 -10.496 -0.637 -4.674 94 HA PRO 17 HA PRO 17 -13.891 -1.024 -7.456 95 1HB PRO 17 HB2 PRO 17 -13.215 -2.755 -9.489 96 2HB PRO 17 HB1 PRO 17 -12.634 -1.092 -9.364 97 1HG PRO 17 HG2 PRO 17 -11.265 -3.641 -8.608 98 2HG PRO 17 HG1 PRO 17 -10.596 -2.196 -9.387 99 1HD PRO 17 HD2 PRO 17 -10.236 -2.722 -6.756 100 2HD PRO 17 HD1 PRO 17 -10.364 -1.067 -7.385 101 H LEU 18 HN LEU 18 -12.671 -4.171 -6.465 102 HA LEU 18 HA LEU 18 -15.035 -5.614 -7.216 103 1HB LEU 18 HB2 LEU 18 -12.684 -6.361 -5.472 104 2HB LEU 18 HB1 LEU 18 -14.019 -7.450 -5.792 105 HG LEU 18 HG LEU 18 -12.266 -8.083 -7.254 106 1HD1 LEU 18 HD11 LEU 18 -13.217 -7.752 -9.462 107 2HD1 LEU 18 HD12 LEU 18 -14.203 -6.420 -8.861 108 3HD1 LEU 18 HD13 LEU 18 -14.485 -8.061 -8.277 109 1HD2 LEU 18 HD21 LEU 18 -10.907 -6.062 -7.114 110 2HD2 LEU 18 HD22 LEU 18 -12.063 -5.204 -8.134 111 3HD2 LEU 18 HD23 LEU 18 -11.142 -6.558 -8.790 112 H LEU 19 HN LEU 19 -13.655 -4.588 -4.105 113 HA LEU 19 HA LEU 19 -15.858 -5.465 -2.546 114 1HB LEU 19 HB2 LEU 19 -13.529 -3.631 -2.035 115 2HB LEU 19 HB1 LEU 19 -14.799 -3.813 -0.838 116 HG LEU 19 HG LEU 19 -13.190 -6.147 -1.912 117 1HD1 LEU 19 HD11 LEU 19 -12.773 -4.577 0.638 118 2HD1 LEU 19 HD12 LEU 19 -11.697 -4.588 -0.761 119 3HD1 LEU 19 HD13 LEU 19 -11.931 -6.060 0.181 120 1HD2 LEU 19 HD21 LEU 19 -14.978 -5.866 0.503 121 2HD2 LEU 19 HD22 LEU 19 -14.064 -7.304 0.048 122 3HD2 LEU 19 HD23 LEU 19 -15.371 -6.727 -0.985 123 H ALA 20 HN ALA 20 -15.169 -2.563 -4.329 124 HA ALA 20 HA ALA 20 -17.256 -0.985 -3.151 125 1HB ALA 20 HB1 ALA 20 -15.317 0.064 -4.220 126 2HB ALA 20 HB2 ALA 20 -16.824 0.585 -4.975 127 3HB ALA 20 HB3 ALA 20 -15.804 -0.611 -5.775 128 H ARG 21 HN ARG 21 -17.235 -3.599 -5.264 129 HA ARG 21 HA ARG 21 -18.844 -4.671 -6.449 130 1HB ARG 21 HB2 ARG 21 -20.571 -2.698 -4.961 131 2HB ARG 21 HB1 ARG 21 -21.259 -3.841 -6.103 132 1HG ARG 21 HG2 ARG 21 -19.656 -4.597 -3.662 133 2HG ARG 21 HG1 ARG 21 -21.418 -4.586 -3.760 134 1HD ARG 21 HD2 ARG 21 -20.847 -6.114 -5.911 135 2HD ARG 21 HD1 ARG 21 -19.461 -6.500 -4.890 136 HE ARG 21 HE ARG 21 -21.018 -7.256 -3.188 137 1HH1 ARG 21 HH11 ARG 21 -22.339 -6.756 -6.404 138 2HH1 ARG 21 HH12 ARG 21 -23.703 -7.800 -6.143 139 1HH2 ARG 21 HH21 ARG 21 -22.849 -8.602 -2.842 140 2HH2 ARG 21 HH22 ARG 21 -23.995 -8.841 -4.120 141 H THR 22 HN THR 22 -17.660 -1.844 -7.259 142 HA THR 22 HA THR 22 -19.647 -0.856 -9.098 143 HB THR 22 HB THR 22 -18.132 0.689 -7.891 144 HG1 THR 22 HG1 THR 22 -19.070 1.191 -10.000 145 1HG2 THR 22 HG21 THR 22 -15.973 -0.454 -9.677 146 2HG2 THR 22 HG22 THR 22 -16.084 -0.668 -7.930 147 3HG2 THR 22 HG23 THR 22 -15.801 0.937 -8.605 148 H ARG 23 HN ARG 23 -17.002 -3.066 -9.222 149 HA ARG 23 HA ARG 23 -17.399 -3.406 -12.102 150 1HB ARG 23 HB2 ARG 23 -15.496 -1.912 -11.974 151 2HB ARG 23 HB1 ARG 23 -14.717 -2.939 -10.778 152 1HG ARG 23 HG2 ARG 23 -14.409 -4.691 -12.419 153 2HG ARG 23 HG1 ARG 23 -15.298 -3.755 -13.625 154 1HD ARG 23 HD2 ARG 23 -12.694 -2.941 -12.324 155 2HD ARG 23 HD1 ARG 23 -12.870 -3.595 -13.953 156 HE ARG 23 HE ARG 23 -14.519 -1.340 -13.736 157 1HH1 ARG 23 HH11 ARG 23 -11.100 -2.114 -13.741 158 2HH1 ARG 23 HH12 ARG 23 -10.623 -0.582 -14.401 159 1HH2 ARG 23 HH21 ARG 23 -13.901 0.664 -14.617 160 2HH2 ARG 23 HH22 ARG 23 -12.223 0.993 -14.926 161 H SER 24 HN SER 24 -17.440 -5.484 -12.694 162 HA SER 24 HA SER 24 -16.979 -7.545 -10.710 163 1HB SER 24 HB2 SER 24 -17.869 -7.759 -13.605 164 2HB SER 24 HB1 SER 24 -17.885 -9.069 -12.422 165 HG SER 24 HG SER 24 -19.608 -6.935 -12.736 166 H ALA 25 HN ALA 25 -15.364 -9.044 -10.742 167 HA ALA 25 HA ALA 25 -12.869 -8.369 -11.766 168 1HB ALA 25 HB1 ALA 25 -12.164 -10.615 -11.082 169 2HB ALA 25 HB2 ALA 25 -13.853 -11.090 -10.900 170 3HB ALA 25 HB3 ALA 25 -13.169 -9.847 -9.852 171 H ALA 26 HN ALA 26 -15.298 -10.605 -13.029 172 HA ALA 26 HA ALA 26 -15.654 -11.513 -15.072 173 1HB ALA 26 HB1 ALA 26 -13.793 -9.338 -16.027 174 2HB ALA 26 HB2 ALA 26 -15.536 -9.184 -15.806 175 3HB ALA 26 HB3 ALA 26 -14.896 -10.277 -17.033 176 H SER 27 HN SER 27 -12.983 -11.995 -13.450 177 HA SER 27 HA SER 27 -12.025 -14.057 -15.259 178 1HB SER 27 HB2 SER 27 -10.175 -11.951 -14.082 179 2HB SER 27 HB1 SER 27 -9.642 -13.412 -14.911 180 HG SER 27 HG SER 27 -11.435 -11.714 -16.235 181 HA PRO 28 HA PRO 28 -12.263 -16.304 -11.458 182 1HB PRO 28 HB2 PRO 28 -10.298 -18.210 -11.976 183 2HB PRO 28 HB1 PRO 28 -11.977 -18.308 -12.514 184 1HG PRO 28 HG2 PRO 28 -9.555 -17.392 -14.016 185 2HG PRO 28 HG1 PRO 28 -10.925 -18.369 -14.581 186 1HD PRO 28 HD2 PRO 28 -10.731 -15.766 -15.194 187 2HD PRO 28 HD1 PRO 28 -12.305 -16.510 -14.839 188 H GLU 29 HN GLU 29 -8.962 -15.686 -12.650 189 HA GLU 29 HA GLU 29 -7.686 -15.838 -10.138 190 1HB GLU 29 HB2 GLU 29 -5.807 -14.672 -11.262 191 2HB GLU 29 HB1 GLU 29 -6.421 -16.028 -12.201 192 1HG GLU 29 HG2 GLU 29 -7.702 -14.473 -13.595 193 2HG GLU 29 HG1 GLU 29 -7.054 -13.121 -12.672 194 H ALA 30 HN ALA 30 -9.068 -13.130 -11.940 195 HA ALA 30 HA ALA 30 -8.148 -11.085 -10.192 196 1HB ALA 30 HB1 ALA 30 -10.426 -11.029 -12.177 197 2HB ALA 30 HB2 ALA 30 -8.741 -10.637 -12.524 198 3HB ALA 30 HB3 ALA 30 -9.674 -9.621 -11.424 199 H LEU 31 HN LEU 31 -10.733 -13.314 -10.048 200 HA LEU 31 HA LEU 31 -12.266 -11.749 -8.132 201 1HB LEU 31 HB2 LEU 31 -13.399 -13.080 -9.873 202 2HB LEU 31 HB1 LEU 31 -12.694 -14.541 -9.221 203 HG LEU 31 HG LEU 31 -15.155 -14.018 -8.680 204 1HD1 LEU 31 HD11 LEU 31 -13.823 -15.785 -7.600 205 2HD1 LEU 31 HD12 LEU 31 -15.044 -15.075 -6.548 206 3HD1 LEU 31 HD13 LEU 31 -13.349 -14.625 -6.358 207 1HD2 LEU 31 HD21 LEU 31 -15.558 -12.605 -6.739 208 2HD2 LEU 31 HD22 LEU 31 -14.854 -11.675 -8.060 209 3HD2 LEU 31 HD23 LEU 31 -13.851 -12.162 -6.693 210 H MET 32 HN MET 32 -10.349 -14.737 -8.224 211 HA MET 32 HA MET 32 -10.984 -15.587 -5.630 212 1HB MET 32 HB2 MET 32 -9.104 -17.151 -5.844 213 2HB MET 32 HB1 MET 32 -10.113 -17.131 -7.281 214 1HG MET 32 HG2 MET 32 -7.915 -17.232 -8.070 215 2HG MET 32 HG1 MET 32 -8.401 -15.554 -8.289 216 1HE MET 32 HE1 MET 32 -5.613 -17.037 -4.929 217 2HE MET 32 HE2 MET 32 -6.381 -18.082 -6.124 218 3HE MET 32 HE3 MET 32 -7.357 -17.291 -4.887 219 H ARG 33 HN ARG 33 -8.226 -13.613 -6.769 220 HA ARG 33 HA ARG 33 -6.960 -13.609 -4.213 221 1HB ARG 33 HB2 ARG 33 -5.319 -12.271 -5.117 222 2HB ARG 33 HB1 ARG 33 -5.956 -13.009 -6.575 223 1HG ARG 33 HG2 ARG 33 -6.816 -10.297 -5.574 224 2HG ARG 33 HG1 ARG 33 -5.491 -10.545 -6.710 225 1HD ARG 33 HD2 ARG 33 -6.973 -11.474 -8.341 226 2HD ARG 33 HD1 ARG 33 -8.306 -11.509 -7.188 227 HE ARG 33 HE ARG 33 -8.660 -9.264 -7.535 228 1HH1 ARG 33 HH11 ARG 33 -5.631 -10.196 -9.049 229 2HH1 ARG 33 HH12 ARG 33 -5.501 -8.731 -9.973 230 1HH2 ARG 33 HH21 ARG 33 -8.485 -7.342 -8.769 231 2HH2 ARG 33 HH22 ARG 33 -7.134 -7.124 -9.834 232 H SER 34 HN SER 34 -9.548 -11.830 -5.584 233 HA SER 34 HA SER 34 -9.405 -9.589 -3.800 234 1HB SER 34 HB2 SER 34 -11.712 -10.567 -5.512 235 2HB SER 34 HB1 SER 34 -11.589 -8.983 -4.742 236 HG SER 34 HG SER 34 -10.764 -9.587 -7.116 237 H ARG 35 HN ARG 35 -11.271 -12.607 -3.974 238 HA ARG 35 HA ARG 35 -12.770 -12.174 -1.606 239 1HB ARG 35 HB2 ARG 35 -11.980 -14.762 -2.978 240 2HB ARG 35 HB1 ARG 35 -13.116 -14.660 -1.641 241 1HG ARG 35 HG2 ARG 35 -14.531 -13.172 -3.068 242 2HG ARG 35 HG1 ARG 35 -13.435 -13.525 -4.407 243 1HD ARG 35 HD2 ARG 35 -15.158 -15.072 -4.691 244 2HD ARG 35 HD1 ARG 35 -13.906 -16.003 -3.874 245 HE ARG 35 HE ARG 35 -16.257 -14.851 -2.500 246 1HH1 ARG 35 HH11 ARG 35 -13.890 -17.411 -2.862 247 2HH1 ARG 35 HH12 ARG 35 -14.707 -18.485 -1.776 248 1HH2 ARG 35 HH21 ARG 35 -17.352 -16.277 -1.104 249 2HH2 ARG 35 HH22 ARG 35 -16.682 -17.840 -0.774 250 H TYR 36 HN TYR 36 -9.639 -13.682 -2.258 251 HA TYR 36 HA TYR 36 -9.043 -14.746 0.227 252 1HB TYR 36 HB2 TYR 36 -7.545 -15.114 -1.623 253 2HB TYR 36 HB1 TYR 36 -7.238 -13.388 -1.792 254 HD1 TYR 36 HD1 TYR 36 -6.625 -16.339 0.369 255 HD2 TYR 36 HD2 TYR 36 -5.562 -12.303 -0.482 256 HE1 TYR 36 HE1 TYR 36 -4.694 -16.529 1.876 257 HE2 TYR 36 HE2 TYR 36 -3.628 -12.490 1.021 258 HH TYR 36 HH TYR 36 -2.914 -13.842 2.940 259 H ALA 37 HN ALA 37 -8.551 -11.430 -0.933 260 HA ALA 37 HA ALA 37 -7.376 -10.418 1.414 261 1HB ALA 37 HB1 ALA 37 -8.969 -8.936 -0.680 262 2HB ALA 37 HB2 ALA 37 -7.237 -9.262 -0.734 263 3HB ALA 37 HB3 ALA 37 -7.894 -8.207 0.515 264 H ALA 38 HN ALA 38 -10.722 -10.880 0.458 265 HA ALA 38 HA ALA 38 -11.972 -9.246 2.358 266 1HB ALA 38 HB1 ALA 38 -12.989 -11.844 1.200 267 2HB ALA 38 HB2 ALA 38 -13.166 -10.250 0.468 268 3HB ALA 38 HB3 ALA 38 -13.964 -10.609 1.998 269 H TYR 39 HN TYR 39 -10.898 -12.629 2.568 270 HA TYR 39 HA TYR 39 -11.757 -13.047 5.236 271 1HB TYR 39 HB2 TYR 39 -9.733 -14.391 3.466 272 2HB TYR 39 HB1 TYR 39 -9.805 -14.806 5.174 273 HD1 TYR 39 HD2 TYR 39 -12.914 -14.426 5.321 274 HD2 TYR 39 HD1 TYR 39 -10.344 -16.609 2.719 275 HE1 TYR 39 HE2 TYR 39 -14.724 -16.033 4.887 276 HE2 TYR 39 HE1 TYR 39 -12.148 -18.218 2.283 277 HH TYR 39 HH TYR 39 -14.228 -19.015 3.445 278 H ALA 40 HN ALA 40 -8.647 -12.012 3.875 279 HA ALA 40 HA ALA 40 -7.270 -11.804 6.326 280 1HB ALA 40 HB1 ALA 40 -6.773 -10.310 3.747 281 2HB ALA 40 HB2 ALA 40 -6.130 -11.900 4.162 282 3HB ALA 40 HB3 ALA 40 -5.633 -10.480 5.083 283 H LEU 41 HN LEU 41 -9.476 -9.670 4.693 284 HA LEU 41 HA LEU 41 -8.955 -7.484 6.580 285 1HB LEU 41 HB2 LEU 41 -10.701 -7.587 4.109 286 2HB LEU 41 HB1 LEU 41 -10.453 -6.167 5.109 287 HG LEU 41 HG LEU 41 -8.311 -7.579 3.503 288 1HD1 LEU 41 HD11 LEU 41 -8.341 -5.575 2.098 289 2HD1 LEU 41 HD12 LEU 41 -9.699 -4.943 3.029 290 3HD1 LEU 41 HD13 LEU 41 -9.892 -6.413 2.074 291 1HD2 LEU 41 HD21 LEU 41 -6.895 -5.665 4.094 292 2HD2 LEU 41 HD22 LEU 41 -7.396 -6.567 5.523 293 3HD2 LEU 41 HD23 LEU 41 -8.178 -5.035 5.129 294 H LYS 42 HN LYS 42 -10.392 -10.137 6.994 295 HA LYS 42 HA LYS 42 -12.244 -11.041 7.893 296 1HB LYS 42 HB2 LYS 42 -13.024 -9.941 10.004 297 2HB LYS 42 HB1 LYS 42 -11.307 -10.260 9.910 298 1HG LYS 42 HG2 LYS 42 -12.327 -7.544 9.193 299 2HG LYS 42 HG1 LYS 42 -12.212 -8.010 10.888 300 1HD LYS 42 HD2 LYS 42 -9.946 -7.997 8.882 301 2HD LYS 42 HD1 LYS 42 -10.200 -6.824 10.173 302 1HE LYS 42 HE2 LYS 42 -9.583 -9.766 10.495 303 2HE LYS 42 HE1 LYS 42 -8.494 -8.420 10.823 304 1HZ LYS 42 HZ1 LYS 42 -9.360 -9.125 12.881 305 2HZ LYS 42 HZ2 LYS 42 -10.944 -9.168 12.307 306 3HZ LYS 42 HZ3 LYS 42 -10.167 -7.682 12.522 307 H ASP 43 HN ASP 43 -12.819 -9.212 5.633 308 HA ASP 43 HA ASP 43 -15.586 -8.468 6.258 309 1HB ASP 43 HB2 ASP 43 -14.015 -6.925 4.919 310 2HB ASP 43 HB1 ASP 43 -14.207 -8.069 3.594 311 H PHE 44 HN PHE 44 -15.725 -10.904 6.584 312 HA PHE 44 HA PHE 44 -15.743 -12.629 4.337 313 1HB PHE 44 HB2 PHE 44 -17.039 -14.174 5.868 314 2HB PHE 44 HB1 PHE 44 -15.475 -13.645 6.469 315 HD1 PHE 44 HD1 PHE 44 -19.107 -13.415 6.917 316 HD2 PHE 44 HD2 PHE 44 -15.304 -12.163 8.379 317 HE1 PHE 44 HE1 PHE 44 -20.161 -12.644 9.001 318 HE2 PHE 44 HE2 PHE 44 -16.359 -11.390 10.463 319 HZ PHE 44 HZ PHE 44 -18.788 -11.631 10.776 320 H ASP 45 HN ASP 45 -17.855 -10.204 5.320 321 HA ASP 45 HA ASP 45 -20.340 -11.053 4.407 322 1HB ASP 45 HB2 ASP 45 -20.108 -8.933 5.542 323 2HB ASP 45 HB1 ASP 45 -19.040 -8.320 4.284 324 H TYR 46 HN TYR 46 -17.713 -9.464 2.577 325 HA TYR 46 HA TYR 46 -19.016 -9.560 0.072 326 1HB TYR 46 HB2 TYR 46 -17.066 -8.093 0.584 327 2HB TYR 46 HB1 TYR 46 -16.026 -9.513 0.595 328 HD1 TYR 46 HD1 TYR 46 -18.435 -7.699 -1.613 329 HD2 TYR 46 HD2 TYR 46 -14.955 -10.148 -1.391 330 HE1 TYR 46 HE1 TYR 46 -18.111 -7.449 -4.034 331 HE2 TYR 46 HE2 TYR 46 -14.624 -9.901 -3.816 332 HH TYR 46 HH TYR 46 -16.383 -7.613 -5.682 333 H ILE 47 HN ILE 47 -17.024 -11.857 1.803 334 HA ILE 47 HA ILE 47 -16.428 -13.695 -0.202 335 HB ILE 47 HB ILE 47 -17.031 -14.139 2.729 336 1HG1 ILE 47 HG12 ILE 47 -15.006 -12.813 2.157 337 2HG1 ILE 47 HG11 ILE 47 -14.621 -14.330 2.963 338 1HG2 ILE 47 HG21 ILE 47 -16.013 -16.375 2.484 339 2HG2 ILE 47 HG22 ILE 47 -15.970 -16.147 0.735 340 3HG2 ILE 47 HG23 ILE 47 -17.518 -16.220 1.576 341 1HD1 ILE 47 HD11 ILE 47 -13.083 -13.899 1.153 342 2HD1 ILE 47 HD12 ILE 47 -14.420 -13.790 0.009 343 3HD1 ILE 47 HD13 ILE 47 -14.057 -15.325 0.800 344 H VAL 48 HN VAL 48 -19.246 -13.625 1.964 345 HA VAL 48 HA VAL 48 -20.599 -15.829 0.934 346 HB VAL 48 HB VAL 48 -21.895 -13.322 2.041 347 1HG1 VAL 48 HG11 VAL 48 -22.860 -16.186 1.939 348 2HG1 VAL 48 HG12 VAL 48 -23.493 -14.832 1.001 349 3HG1 VAL 48 HG13 VAL 48 -23.688 -14.857 2.754 350 1HG2 VAL 48 HG21 VAL 48 -21.770 -14.419 4.240 351 2HG2 VAL 48 HG22 VAL 48 -20.168 -14.109 3.572 352 3HG2 VAL 48 HG23 VAL 48 -20.843 -15.739 3.525 353 H GLU 49 HN GLU 49 -20.680 -12.433 -0.074 354 HA GLU 49 HA GLU 49 -22.792 -12.597 -1.912 355 1HB GLU 49 HB2 GLU 49 -20.377 -10.781 -2.104 356 2HB GLU 49 HB1 GLU 49 -21.948 -10.520 -2.851 357 1HG GLU 49 HG2 GLU 49 -22.928 -10.403 -0.551 358 2HG GLU 49 HG1 GLU 49 -21.285 -10.454 0.086 359 H THR 50 HN THR 50 -19.330 -13.159 -2.301 360 HA THR 50 HA THR 50 -19.622 -13.578 -5.173 361 HB THR 50 HB THR 50 -17.060 -13.907 -4.975 362 HG1 THR 50 HG1 THR 50 -17.382 -12.468 -2.557 363 1HG2 THR 50 HG21 THR 50 -18.308 -11.237 -4.289 364 2HG2 THR 50 HG22 THR 50 -18.089 -11.894 -5.912 365 3HG2 THR 50 HG23 THR 50 -16.683 -11.480 -4.932 366 H THR 51 HN THR 51 -20.568 -15.518 -2.997 367 HA THR 51 HA THR 51 -19.052 -17.893 -3.812 368 HB THR 51 HB THR 51 -21.305 -17.689 -1.792 369 HG1 THR 51 HG1 THR 51 -19.589 -16.589 -0.938 370 1HG2 THR 51 HG21 THR 51 -20.982 -19.945 -2.771 371 2HG2 THR 51 HG22 THR 51 -20.552 -19.892 -1.059 372 3HG2 THR 51 HG23 THR 51 -19.285 -19.892 -2.286 373 H ASP 52 HN ASP 52 -20.080 -19.665 -4.798 374 HA ASP 52 HA ASP 52 -21.922 -19.244 -6.815 375 1HB ASP 52 HB2 ASP 52 -20.388 -21.272 -6.380 376 2HB ASP 52 HB1 ASP 52 -21.660 -21.863 -5.326 377 HA PRO 53 HA PRO 53 -25.802 -18.637 -4.688 378 1HB PRO 53 HB2 PRO 53 -27.423 -19.834 -6.646 379 2HB PRO 53 HB1 PRO 53 -26.951 -18.134 -6.585 380 1HG PRO 53 HG2 PRO 53 -25.778 -20.373 -8.174 381 2HG PRO 53 HG1 PRO 53 -25.996 -18.670 -8.620 382 1HD PRO 53 HD2 PRO 53 -23.590 -19.635 -7.938 383 2HD PRO 53 HD1 PRO 53 -24.087 -17.997 -7.466 384 H GLU 54 HN GLU 54 -24.999 -21.776 -6.100 385 HA GLU 54 HA GLU 54 -26.941 -23.254 -4.603 386 1HB GLU 54 HB2 GLU 54 -24.422 -24.280 -5.936 387 2HB GLU 54 HB1 GLU 54 -25.826 -25.231 -5.473 388 1HG GLU 54 HG2 GLU 54 -25.770 -23.079 -7.585 389 2HG GLU 54 HG1 GLU 54 -25.757 -24.816 -7.877 390 H ARG 55 HN ARG 55 -23.615 -22.302 -4.133 391 HA ARG 55 HA ARG 55 -23.194 -24.072 -1.866 392 1HB ARG 55 HB2 ARG 55 -21.451 -21.923 -3.101 393 2HB ARG 55 HB1 ARG 55 -20.954 -22.965 -1.774 394 1HG ARG 55 HG2 ARG 55 -21.814 -24.004 -4.468 395 2HG ARG 55 HG1 ARG 55 -20.139 -23.646 -4.045 396 1HD ARG 55 HD2 ARG 55 -21.922 -25.598 -2.581 397 2HD ARG 55 HD1 ARG 55 -20.708 -26.037 -3.784 398 HE ARG 55 HE ARG 55 -19.220 -24.683 -2.048 399 1HH1 ARG 55 HH11 ARG 55 -21.605 -27.191 -1.497 400 2HH1 ARG 55 HH12 ARG 55 -20.834 -27.780 -0.059 401 1HH2 ARG 55 HH21 ARG 55 -18.226 -25.444 -0.132 402 2HH2 ARG 55 HH22 ARG 55 -18.933 -26.773 0.730 403 H ARG 56 HN ARG 56 -23.947 -20.732 -2.487 404 HA ARG 56 HA ARG 56 -23.361 -19.697 0.082 405 1HB ARG 56 HB2 ARG 56 -23.559 -18.257 -1.887 406 2HB ARG 56 HB1 ARG 56 -25.256 -18.684 -2.055 407 1HG ARG 56 HG2 ARG 56 -25.828 -17.523 -0.048 408 2HG ARG 56 HG1 ARG 56 -24.129 -17.287 0.367 409 1HD ARG 56 HD2 ARG 56 -25.170 -15.248 -0.548 410 2HD ARG 56 HD1 ARG 56 -23.825 -15.823 -1.532 411 HE ARG 56 HE ARG 56 -26.535 -16.602 -2.314 412 1HH1 ARG 56 HH11 ARG 56 -23.690 -14.654 -2.909 413 2HH1 ARG 56 HH12 ARG 56 -24.176 -14.199 -4.509 414 1HH2 ARG 56 HH21 ARG 56 -27.181 -15.997 -4.434 415 2HH2 ARG 56 HH22 ARG 56 -26.154 -14.957 -5.372 416 H ASP 57 HN ASP 57 -25.952 -21.516 -1.228 417 HA ASP 57 HA ASP 57 -27.982 -21.056 0.644 418 1HB ASP 57 HB2 ASP 57 -28.404 -22.330 -1.367 419 2HB ASP 57 HB1 ASP 57 -27.220 -23.546 -0.904 420 H LEU 58 HN LEU 58 -25.037 -22.938 0.824 421 HA LEU 58 HA LEU 58 -25.740 -24.105 3.403 422 1HB LEU 58 HB2 LEU 58 -23.178 -24.312 1.799 423 2HB LEU 58 HB1 LEU 58 -23.537 -25.205 3.264 424 HG LEU 58 HG LEU 58 -25.494 -26.239 1.987 425 1HD1 LEU 58 HD11 LEU 58 -25.608 -24.641 0.154 426 2HD1 LEU 58 HD12 LEU 58 -25.315 -26.271 -0.448 427 3HD1 LEU 58 HD13 LEU 58 -23.990 -25.109 -0.371 428 1HD2 LEU 58 HD21 LEU 58 -23.444 -27.463 2.502 429 2HD2 LEU 58 HD22 LEU 58 -22.683 -26.821 1.045 430 3HD2 LEU 58 HD23 LEU 58 -24.066 -27.909 0.914 431 H PHE 59 HN PHE 59 -23.806 -21.553 2.049 432 HA PHE 59 HA PHE 59 -21.912 -21.177 4.047 433 1HB PHE 59 HB2 PHE 59 -23.004 -19.539 1.834 434 2HB PHE 59 HB1 PHE 59 -22.203 -18.644 3.119 435 HD1 PHE 59 HD1 PHE 59 -21.413 -21.974 1.598 436 HD2 PHE 59 HD2 PHE 59 -20.171 -17.959 2.301 437 HE1 PHE 59 HE1 PHE 59 -19.218 -22.479 0.605 438 HE2 PHE 59 HE2 PHE 59 -17.983 -18.454 1.309 439 HZ PHE 59 HZ PHE 59 -17.497 -20.719 0.460 440 H ASP 60 HN ASP 60 -22.065 -20.622 6.085 441 HA ASP 60 HA ASP 60 -24.098 -18.640 6.908 442 1HB ASP 60 HB2 ASP 60 -22.593 -20.730 8.497 443 2HB ASP 60 HB1 ASP 60 -23.373 -19.362 9.279 444 H HIS 61 HN HIS 61 -23.410 -16.749 7.879 445 HA HIS 61 HA HIS 61 -20.926 -15.746 7.002 446 1HB HIS 61 HB2 HIS 61 -22.885 -14.653 9.038 447 2HB HIS 61 HB1 HIS 61 -21.473 -13.767 8.470 448 HD1 HIS 61 HD1 HIS 61 -22.372 -11.982 6.993 449 HD2 HIS 61 HD2 HIS 61 -24.213 -15.643 6.291 450 HE1 HIS 61 HE1 HIS 61 -23.888 -11.610 5.027 451 HE2 HIS 61 HE2 HIS 61 -25.002 -13.835 4.620 452 H ASP 62 HN ASP 62 -21.995 -17.020 10.107 453 HA ASP 62 HA ASP 62 -19.719 -16.316 11.617 454 1HB ASP 62 HB2 ASP 62 -21.659 -18.615 11.980 455 2HB ASP 62 HB1 ASP 62 -20.436 -18.157 13.161 456 H VAL 63 HN VAL 63 -20.445 -19.094 9.581 457 HA VAL 63 HA VAL 63 -18.135 -20.600 10.313 458 HB VAL 63 HB VAL 63 -19.781 -20.829 7.778 459 1HG1 VAL 63 HG11 VAL 63 -17.636 -21.975 7.618 460 2HG1 VAL 63 HG12 VAL 63 -18.947 -23.148 7.739 461 3HG1 VAL 63 HG13 VAL 63 -17.943 -22.802 9.146 462 1HG2 VAL 63 HG21 VAL 63 -21.198 -21.021 9.759 463 2HG2 VAL 63 HG22 VAL 63 -20.117 -22.243 10.429 464 3HG2 VAL 63 HG23 VAL 63 -21.030 -22.584 8.958 465 H ASN 64 HN ASN 64 -18.902 -18.290 7.763 466 HA ASN 64 HA ASN 64 -16.489 -18.483 6.309 467 1HB ASN 64 HB2 ASN 64 -18.436 -16.190 6.670 468 2HB ASN 64 HB1 ASN 64 -17.032 -16.086 5.615 469 1HD2 ASN 64 HD21 ASN 64 -18.891 -19.037 6.010 470 2HD2 ASN 64 HD22 ASN 64 -19.569 -19.035 4.426 471 H ARG 65 HN ARG 65 -17.455 -16.613 9.120 472 HA ARG 65 HA ARG 65 -15.050 -15.194 9.517 473 1HB ARG 65 HB2 ARG 65 -17.169 -14.657 10.679 474 2HB ARG 65 HB1 ARG 65 -17.063 -16.173 11.564 475 1HG ARG 65 HG2 ARG 65 -14.853 -15.327 12.480 476 2HG ARG 65 HG1 ARG 65 -15.288 -13.757 11.802 477 1HD ARG 65 HD2 ARG 65 -16.844 -15.324 13.864 478 2HD ARG 65 HD1 ARG 65 -15.898 -13.866 14.150 479 HE ARG 65 HE ARG 65 -18.259 -13.852 12.379 480 1HH1 ARG 65 HH11 ARG 65 -16.471 -12.556 15.097 481 2HH1 ARG 65 HH12 ARG 65 -17.591 -11.264 15.384 482 1HH2 ARG 65 HH21 ARG 65 -19.733 -12.163 12.751 483 2HH2 ARG 65 HH22 ARG 65 -19.444 -11.030 14.034 484 H ALA 66 HN ALA 66 -16.205 -18.323 10.707 485 HA ALA 66 HA ALA 66 -14.195 -18.962 12.485 486 1HB ALA 66 HB1 ALA 66 -16.256 -20.258 12.241 487 2HB ALA 66 HB2 ALA 66 -14.833 -21.298 12.155 488 3HB ALA 66 HB3 ALA 66 -15.698 -20.862 10.680 489 H TRP 67 HN TRP 67 -14.306 -19.603 8.984 490 HA TRP 67 HA TRP 67 -11.963 -21.096 8.788 491 1HB TRP 67 HB2 TRP 67 -13.311 -19.293 6.770 492 2HB TRP 67 HB1 TRP 67 -11.915 -20.293 6.378 493 HD1 TRP 67 HD1 TRP 67 -12.762 -22.958 7.894 494 HE1 TRP 67 HE1 TRP 67 -14.695 -24.382 6.970 495 HE3 TRP 67 HE3 TRP 67 -15.138 -19.393 5.096 496 HZ2 TRP 67 HZ2 TRP 67 -16.927 -24.044 5.278 497 HZ3 TRP 67 HZ3 TRP 67 -17.164 -20.028 3.852 498 HH2 TRP 67 HH2 TRP 67 -18.040 -22.307 3.940 499 H MET 68 HN MET 68 -12.338 -17.561 8.297 500 HA MET 68 HA MET 68 -9.562 -17.127 7.911 501 1HB MET 68 HB2 MET 68 -10.018 -14.759 8.168 502 2HB MET 68 HB1 MET 68 -11.266 -15.499 7.177 503 1HG MET 68 HG2 MET 68 -12.892 -15.238 8.788 504 2HG MET 68 HG1 MET 68 -11.727 -15.189 10.110 505 1HE MET 68 HE1 MET 68 -10.212 -11.622 9.777 506 2HE MET 68 HE2 MET 68 -9.587 -13.119 9.086 507 3HE MET 68 HE3 MET 68 -10.252 -13.112 10.720 508 H GLU 69 HN GLU 69 -11.440 -17.601 10.765 509 HA GLU 69 HA GLU 69 -9.600 -16.306 12.559 510 1HB GLU 69 HB2 GLU 69 -11.950 -18.148 13.013 511 2HB GLU 69 HB1 GLU 69 -10.965 -17.526 14.329 512 1HG GLU 69 HG2 GLU 69 -12.502 -15.834 12.363 513 2HG GLU 69 HG1 GLU 69 -13.038 -16.247 13.990 514 H GLU 70 HN GLU 70 -10.273 -19.687 11.627 515 HA GLU 70 HA GLU 70 -8.045 -20.569 13.294 516 1HB GLU 70 HB2 GLU 70 -8.753 -22.881 12.610 517 2HB GLU 70 HB1 GLU 70 -9.945 -21.965 13.511 518 1HG GLU 70 HG2 GLU 70 -11.223 -22.976 11.889 519 2HG GLU 70 HG1 GLU 70 -10.926 -21.387 11.191 520 H SER 71 HN SER 71 -8.486 -19.490 10.172 521 HA SER 71 HA SER 71 -5.777 -20.440 9.527 522 1HB SER 71 HB2 SER 71 -8.072 -20.130 7.566 523 2HB SER 71 HB1 SER 71 -6.399 -20.461 7.118 524 HG SER 71 HG SER 71 -8.085 -22.098 8.713 525 H ASP 72 HN ASP 72 -4.859 -18.554 10.296 526 HA ASP 72 HA ASP 72 -5.760 -15.947 9.528 527 1HB ASP 72 HB2 ASP 72 -4.509 -16.338 11.627 528 2HB ASP 72 HB1 ASP 72 -3.102 -16.824 10.697 529 H PHE 73 HN PHE 73 -5.831 -15.881 7.283 530 HA PHE 73 HA PHE 73 -3.896 -16.917 5.557 531 1HB PHE 73 HB2 PHE 73 -5.899 -14.692 5.117 532 2HB PHE 73 HB1 PHE 73 -4.954 -15.442 3.833 533 HD1 PHE 73 HD2 PHE 73 -5.285 -17.861 3.310 534 HD2 PHE 73 HD1 PHE 73 -7.842 -15.752 5.989 535 HE1 PHE 73 HE2 PHE 73 -6.973 -19.636 3.093 536 HE2 PHE 73 HE1 PHE 73 -9.530 -17.529 5.776 537 HZ PHE 73 HZ PHE 73 -9.099 -19.473 4.328 538 H LEU 74 HN LEU 74 -1.859 -16.361 5.340 539 HA LEU 74 HA LEU 74 -0.980 -13.652 5.988 540 1HB LEU 74 HB2 LEU 74 0.272 -16.325 6.093 541 2HB LEU 74 HB1 LEU 74 1.328 -15.052 5.518 542 HG LEU 74 HG LEU 74 1.068 -13.803 7.569 543 1HD1 LEU 74 HD11 LEU 74 -1.269 -14.282 8.041 544 2HD1 LEU 74 HD12 LEU 74 -0.261 -14.629 9.444 545 3HD1 LEU 74 HD13 LEU 74 -0.861 -15.950 8.442 546 1HD2 LEU 74 HD21 LEU 74 1.591 -16.724 8.141 547 2HD2 LEU 74 HD22 LEU 74 2.074 -15.369 9.163 548 3HD2 LEU 74 HD23 LEU 74 2.768 -15.549 7.552 549 H GLU 75 HN GLU 75 -0.236 -16.112 3.499 550 HA GLU 75 HA GLU 75 0.208 -13.920 1.577 551 1HB GLU 75 HB2 GLU 75 2.388 -14.825 2.326 552 2HB GLU 75 HB1 GLU 75 1.882 -16.437 1.835 553 1HG GLU 75 HG2 GLU 75 1.585 -15.453 -0.506 554 2HG GLU 75 HG1 GLU 75 2.475 -14.057 0.094 555 H LEU 76 HN LEU 76 -0.598 -14.225 -0.432 556 HA LEU 76 HA LEU 76 -1.808 -16.839 -1.061 557 1HB LEU 76 HB2 LEU 76 -3.392 -14.946 -1.074 558 2HB LEU 76 HB1 LEU 76 -2.393 -14.121 -2.259 559 HG LEU 76 HG LEU 76 -2.798 -16.031 -3.837 560 1HD1 LEU 76 HD11 LEU 76 -4.813 -16.870 -1.752 561 2HD1 LEU 76 HD12 LEU 76 -3.351 -17.747 -2.205 562 3HD1 LEU 76 HD13 LEU 76 -4.658 -17.551 -3.372 563 1HD2 LEU 76 HD21 LEU 76 -4.067 -13.948 -3.997 564 2HD2 LEU 76 HD22 LEU 76 -5.267 -14.587 -2.873 565 3HD2 LEU 76 HD23 LEU 76 -5.045 -15.342 -4.453 566 H ARG 77 HN ARG 77 -1.017 -17.963 -2.739 567 HA ARG 77 HA ARG 77 0.934 -16.639 -4.504 568 1HB ARG 77 HB2 ARG 77 2.021 -18.071 -2.783 569 2HB ARG 77 HB1 ARG 77 1.110 -19.449 -3.380 570 1HG ARG 77 HG2 ARG 77 2.289 -19.459 -5.434 571 2HG ARG 77 HG1 ARG 77 3.002 -17.874 -5.114 572 1HD ARG 77 HD2 ARG 77 3.553 -20.434 -3.601 573 2HD ARG 77 HD1 ARG 77 4.645 -19.625 -4.728 574 HE ARG 77 HE ARG 77 3.834 -17.914 -2.575 575 1HH1 ARG 77 HH11 ARG 77 6.071 -20.483 -3.404 576 2HH1 ARG 77 HH12 ARG 77 7.250 -19.993 -2.230 577 1HH2 ARG 77 HH21 ARG 77 5.365 -17.274 -1.049 578 2HH2 ARG 77 HH22 ARG 77 6.861 -18.155 -0.896 579 H VAL 78 HN VAL 78 -0.319 -16.408 -6.267 580 HA VAL 78 HA VAL 78 -2.142 -18.475 -7.142 581 HB VAL 78 HB VAL 78 -1.365 -15.850 -8.438 582 1HG1 VAL 78 HG11 VAL 78 -3.375 -16.140 -9.825 583 2HG1 VAL 78 HG12 VAL 78 -3.641 -17.729 -9.107 584 3HG1 VAL 78 HG13 VAL 78 -2.211 -17.437 -10.096 585 1HG2 VAL 78 HG21 VAL 78 -3.528 -15.032 -7.603 586 2HG2 VAL 78 HG22 VAL 78 -2.463 -15.525 -6.287 587 3HG2 VAL 78 HG23 VAL 78 -3.790 -16.574 -6.785 588 H LEU 79 HN LEU 79 -1.762 -19.964 -8.696 589 HA LEU 79 HA LEU 79 0.963 -20.012 -9.810 590 1HB LEU 79 HB2 LEU 79 -0.969 -22.312 -9.462 591 2HB LEU 79 HB1 LEU 79 0.721 -22.419 -9.929 592 HG LEU 79 HG LEU 79 -0.335 -21.535 -7.232 593 1HD1 LEU 79 HD11 LEU 79 1.192 -24.006 -8.041 594 2HD1 LEU 79 HD12 LEU 79 -0.514 -23.934 -7.598 595 3HD1 LEU 79 HD13 LEU 79 0.724 -23.566 -6.397 596 1HD2 LEU 79 HD21 LEU 79 1.683 -20.289 -7.804 597 2HD2 LEU 79 HD22 LEU 79 2.523 -21.793 -8.182 598 3HD2 LEU 79 HD23 LEU 79 2.010 -21.460 -6.527 599 H GLY 80 HN GLY 80 -2.360 -21.012 -10.706 600 1HA GLY 80 HA2 GLY 80 -1.960 -19.949 -13.391 601 2HA GLY 80 HA1 GLY 80 -2.157 -21.694 -13.287 602 H SER 81 HN SER 81 -3.938 -20.189 -14.744 603 HA SER 81 HA SER 81 -6.423 -20.787 -13.421 604 1HB SER 81 HB2 SER 81 -7.324 -18.442 -13.709 605 2HB SER 81 HB1 SER 81 -6.103 -18.609 -12.448 606 HG SER 81 HG SER 81 -4.614 -17.645 -13.745 607 H SER 82 HN SER 82 -8.220 -20.766 -14.851 608 HA SER 82 HA SER 82 -7.776 -20.118 -17.654 609 1HB SER 82 HB2 SER 82 -8.495 -22.920 -16.733 610 2HB SER 82 HB1 SER 82 -8.467 -22.372 -18.411 611 HG SER 82 HG SER 82 -6.134 -21.729 -17.362 612 H GLU 83 HN GLU 83 -9.592 -19.406 -18.613 613 HA GLU 83 HA GLU 83 -12.160 -19.728 -17.207 614 1HB GLU 83 HB2 GLU 83 -11.561 -17.403 -17.513 615 2HB GLU 83 HB1 GLU 83 -11.218 -17.664 -19.218 616 1HG GLU 83 HG2 GLU 83 -13.571 -18.076 -19.661 617 2HG GLU 83 HG1 GLU 83 -13.942 -17.920 -17.948 618 H LYS 84 HN LYS 84 -13.413 -21.281 -18.019 619 HA LYS 84 HA LYS 84 -13.177 -21.970 -20.878 620 1HB LYS 84 HB2 LYS 84 -14.405 -23.690 -18.707 621 2HB LYS 84 HB1 LYS 84 -13.931 -24.178 -20.328 622 1HG LYS 84 HG2 LYS 84 -12.069 -23.387 -18.091 623 2HG LYS 84 HG1 LYS 84 -12.366 -25.024 -18.678 624 1HD LYS 84 HD2 LYS 84 -11.200 -22.778 -20.325 625 2HD LYS 84 HD1 LYS 84 -10.256 -24.040 -19.538 626 1HE LYS 84 HE2 LYS 84 -11.404 -25.734 -20.894 627 2HE LYS 84 HE1 LYS 84 -12.351 -24.465 -21.675 628 1HZ LYS 84 HZ1 LYS 84 -10.307 -23.523 -22.547 629 2HZ LYS 84 HZ2 LYS 84 -10.471 -25.135 -23.032 630 3HZ LYS 84 HZ3 LYS 84 -9.395 -24.732 -21.790 631 H GLY 85 HN GLY 85 -14.572 -19.772 -20.559 632 1HA GLY 85 HA2 GLY 85 -16.589 -18.981 -21.436 633 2HA GLY 85 HA1 GLY 85 -17.295 -20.576 -21.217 634 H SER 86 HN SER 86 -18.615 -20.884 -19.530 635 HA SER 86 HA SER 86 -18.858 -18.723 -17.555 636 1HB SER 86 HB2 SER 86 -20.800 -20.917 -18.334 637 2HB SER 86 HB1 SER 86 -21.102 -19.703 -17.089 638 HG SER 86 HG SER 86 -20.513 -19.110 -19.804 639 H ARG 87 HN ARG 87 -17.119 -21.362 -17.759 640 HA ARG 87 HA ARG 87 -17.290 -21.907 -14.877 641 1HB ARG 87 HB2 ARG 87 -18.442 -23.680 -16.424 642 2HB ARG 87 HB1 ARG 87 -16.804 -24.147 -16.846 643 1HG ARG 87 HG2 ARG 87 -17.723 -24.046 -13.986 644 2HG ARG 87 HG1 ARG 87 -18.018 -25.452 -15.004 645 1HD ARG 87 HD2 ARG 87 -15.580 -25.638 -15.397 646 2HD ARG 87 HD1 ARG 87 -15.323 -24.279 -14.300 647 HE ARG 87 HE ARG 87 -16.635 -25.855 -12.676 648 1HH1 ARG 87 HH11 ARG 87 -14.158 -26.791 -14.974 649 2HH1 ARG 87 HH12 ARG 87 -13.656 -28.174 -14.059 650 1HH2 ARG 87 HH21 ARG 87 -15.987 -27.668 -11.481 651 2HH2 ARG 87 HH22 ARG 87 -14.688 -28.667 -12.061 652 H GLY 88 HN GLY 88 -15.273 -21.970 -13.932 653 1HA GLY 88 HA2 GLY 88 -12.917 -22.227 -15.659 654 2HA GLY 88 HA1 GLY 88 -13.141 -20.697 -14.825 655 H THR 89 HN THR 89 -10.893 -21.700 -14.216 656 HA THR 89 HA THR 89 -11.155 -22.684 -11.496 657 HB THR 89 HB THR 89 -9.603 -24.243 -13.594 658 HG1 THR 89 HG1 THR 89 -12.137 -24.462 -12.614 659 1HG2 THR 89 HG21 THR 89 -8.401 -24.236 -11.469 660 2HG2 THR 89 HG22 THR 89 -9.116 -25.824 -11.752 661 3HG2 THR 89 HG23 THR 89 -9.870 -24.708 -10.613 662 H VAL 90 HN VAL 90 -9.329 -22.231 -10.234 663 HA VAL 90 HA VAL 90 -6.915 -21.271 -11.545 664 HB VAL 90 HB VAL 90 -7.969 -19.162 -11.250 665 1HG1 VAL 90 HG11 VAL 90 -8.597 -19.922 -8.397 666 2HG1 VAL 90 HG12 VAL 90 -9.756 -19.842 -9.725 667 3HG1 VAL 90 HG13 VAL 90 -8.951 -18.374 -9.171 668 1HG2 VAL 90 HG21 VAL 90 -6.097 -19.581 -8.913 669 2HG2 VAL 90 HG22 VAL 90 -6.538 -18.022 -9.609 670 3HG2 VAL 90 HG23 VAL 90 -5.627 -19.189 -10.567 671 H GLU 91 HN GLU 91 -5.226 -22.181 -10.649 672 HA GLU 91 HA GLU 91 -5.507 -23.523 -8.063 673 1HB GLU 91 HB2 GLU 91 -4.660 -24.789 -10.047 674 2HB GLU 91 HB1 GLU 91 -3.268 -23.714 -10.100 675 1HG GLU 91 HG2 GLU 91 -2.655 -24.465 -7.820 676 2HG GLU 91 HG1 GLU 91 -3.997 -25.608 -7.871 677 H PHE 92 HN PHE 92 -4.267 -23.014 -6.306 678 HA PHE 92 HA PHE 92 -2.169 -21.039 -6.476 679 1HB PHE 92 HB2 PHE 92 -3.299 -19.443 -4.934 680 2HB PHE 92 HB1 PHE 92 -4.065 -19.548 -6.512 681 HD1 PHE 92 HD2 PHE 92 -6.183 -20.917 -6.743 682 HD2 PHE 92 HD1 PHE 92 -4.522 -19.863 -2.962 683 HE1 PHE 92 HE2 PHE 92 -8.354 -21.346 -5.674 684 HE2 PHE 92 HE1 PHE 92 -6.698 -20.286 -1.891 685 HZ PHE 92 HZ PHE 92 -8.615 -21.028 -3.246 686 H ILE 93 HN ILE 93 -1.669 -20.346 -4.071 687 HA ILE 93 HA ILE 93 -1.971 -22.652 -2.271 688 HB ILE 93 HB ILE 93 0.545 -21.051 -2.816 689 1HG1 ILE 93 HG12 ILE 93 0.045 -24.042 -2.852 690 2HG1 ILE 93 HG11 ILE 93 0.082 -23.021 -4.282 691 1HG2 ILE 93 HG21 ILE 93 0.292 -21.241 -0.402 692 2HG2 ILE 93 HG22 ILE 93 1.596 -22.290 -0.959 693 3HG2 ILE 93 HG23 ILE 93 0.026 -22.979 -0.543 694 1HD1 ILE 93 HD11 ILE 93 2.171 -24.210 -4.005 695 2HD1 ILE 93 HD12 ILE 93 2.374 -23.520 -2.395 696 3HD1 ILE 93 HD13 ILE 93 2.425 -22.475 -3.816 697 H ALA 94 HN ALA 94 -3.286 -21.931 -0.731 698 HA ALA 94 HA ALA 94 -3.111 -19.174 0.216 699 1HB ALA 94 HB1 ALA 94 -5.084 -19.736 1.562 700 2HB ALA 94 HB2 ALA 94 -4.969 -21.417 1.037 701 3HB ALA 94 HB3 ALA 94 -5.329 -20.149 -0.135 702 H ARG 95 HN ARG 95 -1.488 -18.787 1.600 703 HA ARG 95 HA ARG 95 -0.758 -20.834 3.572 704 1HB ARG 95 HB2 ARG 95 1.068 -19.785 2.279 705 2HB ARG 95 HB1 ARG 95 0.602 -18.210 2.913 706 1HG ARG 95 HG2 ARG 95 1.127 -18.963 5.187 707 2HG ARG 95 HG1 ARG 95 1.587 -20.547 4.555 708 1HD ARG 95 HD2 ARG 95 2.913 -17.896 4.001 709 2HD ARG 95 HD1 ARG 95 3.578 -19.257 4.910 710 HE ARG 95 HE ARG 95 3.311 -20.487 2.662 711 1HH1 ARG 95 HH11 ARG 95 4.283 -17.151 3.082 712 2HH1 ARG 95 HH12 ARG 95 5.024 -17.032 1.516 713 1HH2 ARG 95 HH21 ARG 95 4.324 -20.357 0.616 714 2HH2 ARG 95 HH22 ARG 95 5.065 -18.868 0.123 715 H PHE 96 HN PHE 96 -1.005 -20.543 5.726 716 HA PHE 96 HA PHE 96 -2.039 -18.026 6.741 717 1HB PHE 96 HB2 PHE 96 -3.895 -19.448 7.921 718 2HB PHE 96 HB1 PHE 96 -4.123 -18.897 6.263 719 HD1 PHE 96 HD1 PHE 96 -2.643 -21.832 8.070 720 HD2 PHE 96 HD2 PHE 96 -4.944 -20.443 4.762 721 HE1 PHE 96 HE1 PHE 96 -2.996 -24.154 7.343 722 HE2 PHE 96 HE2 PHE 96 -5.306 -22.765 4.037 723 HZ PHE 96 HZ PHE 96 -4.332 -24.624 5.329 724 H ARG 97 HN ARG 97 -1.941 -17.818 8.976 725 HA ARG 97 HA ARG 97 0.110 -19.461 10.233 726 1HB ARG 97 HB2 ARG 97 0.332 -17.005 10.202 727 2HB ARG 97 HB1 ARG 97 -1.184 -16.853 11.068 728 1HG ARG 97 HG2 ARG 97 -0.257 -17.790 13.042 729 2HG ARG 97 HG1 ARG 97 1.207 -18.294 12.190 730 1HD ARG 97 HD2 ARG 97 1.319 -16.168 13.641 731 2HD ARG 97 HD1 ARG 97 2.013 -16.109 12.022 732 HE ARG 97 HE ARG 97 -0.625 -15.247 11.807 733 1HH1 ARG 97 HH11 ARG 97 2.259 -14.189 13.492 734 2HH1 ARG 97 HH12 ARG 97 1.895 -12.502 13.309 735 1HH2 ARG 97 HH21 ARG 97 -1.107 -13.044 11.561 736 2HH2 ARG 97 HH22 ARG 97 -0.025 -11.847 12.210 737 H ARG 98 HN ARG 98 -0.308 -20.842 11.859 738 HA ARG 98 HA ARG 98 -3.110 -21.176 12.672 739 1HB ARG 98 HB2 ARG 98 -2.034 -23.127 11.658 740 2HB ARG 98 HB1 ARG 98 -0.743 -23.060 12.850 741 1HG ARG 98 HG2 ARG 98 -2.389 -23.527 14.628 742 2HG ARG 98 HG1 ARG 98 -3.652 -23.650 13.401 743 1HD ARG 98 HD2 ARG 98 -2.480 -25.525 12.365 744 2HD ARG 98 HD1 ARG 98 -1.184 -25.387 13.557 745 HE ARG 98 HE ARG 98 -3.793 -25.766 14.717 746 1HH1 ARG 98 HH11 ARG 98 -0.970 -27.381 13.413 747 2HH1 ARG 98 HH12 ARG 98 -1.285 -28.871 14.244 748 1HH2 ARG 98 HH21 ARG 98 -4.201 -27.711 15.823 749 2HH2 ARG 98 HH22 ARG 98 -3.128 -29.059 15.616 750 H GLY 99 HN GLY 99 -3.756 -20.795 14.701 751 1HA GLY 99 HA2 GLY 99 -3.726 -20.277 16.930 752 2HA GLY 99 HA1 GLY 99 -2.349 -21.360 17.031 753 H GLY 100 HN GLY 100 -2.142 -18.544 15.015 754 1HA GLY 100 HA2 GLY 100 -0.978 -16.578 15.203 755 2HA GLY 100 HA1 GLY 100 -1.153 -16.715 16.944 756 H GLY 101 HN GLY 101 0.313 -19.442 15.538 757 1HA GLY 101 HA2 GLY 101 2.978 -18.436 16.346 758 2HA GLY 101 HA1 GLY 101 2.430 -20.078 16.639 759 HA PRO 102 HA PRO 102 4.618 -21.157 12.977 760 1HB PRO 102 HB2 PRO 102 3.490 -23.569 12.430 761 2HB PRO 102 HB1 PRO 102 4.594 -23.315 13.787 762 1HG PRO 102 HG2 PRO 102 1.594 -23.394 13.780 763 2HG PRO 102 HG1 PRO 102 2.729 -24.167 14.905 764 1HD PRO 102 HD2 PRO 102 1.459 -21.856 15.505 765 2HD PRO 102 HD1 PRO 102 3.106 -22.203 16.074 766 H GLU 103 HN GLU 103 4.426 -21.349 10.730 767 HA GLU 103 HA GLU 103 1.857 -20.468 9.615 768 1HB GLU 103 HB2 GLU 103 4.590 -20.605 8.311 769 2HB GLU 103 HB1 GLU 103 3.140 -19.896 7.613 770 1HG GLU 103 HG2 GLU 103 3.143 -18.123 9.204 771 2HG GLU 103 HG1 GLU 103 4.425 -18.890 10.140 772 H GLN 104 HN GLN 104 0.733 -21.685 8.199 773 HA GLN 104 HA GLN 104 1.909 -24.200 7.224 774 1HB GLN 104 HB2 GLN 104 0.334 -24.716 9.041 775 2HB GLN 104 HB1 GLN 104 -0.922 -23.794 8.229 776 1HG GLN 104 HG2 GLN 104 -0.882 -25.380 6.365 777 2HG GLN 104 HG1 GLN 104 0.378 -26.303 7.180 778 1HE2 GLN 104 HE21 GLN 104 -2.318 -24.830 8.874 779 2HE2 GLN 104 HE22 GLN 104 -3.107 -26.309 9.287 780 H SER 105 HN SER 105 1.506 -24.641 5.115 781 HA SER 105 HA SER 105 -0.010 -22.606 3.609 782 1HB SER 105 HB2 SER 105 2.389 -24.212 2.668 783 2HB SER 105 HB1 SER 105 1.536 -22.977 1.741 784 HG SER 105 HG SER 105 3.319 -22.710 3.867 785 H HIS 106 HN HIS 106 -1.644 -23.296 2.380 786 HA HIS 106 HA HIS 106 -1.915 -26.200 1.923 787 1HB HIS 106 HB2 HIS 106 -3.650 -25.090 3.401 788 2HB HIS 106 HB1 HIS 106 -4.150 -24.152 1.999 789 HD1 HIS 106 HD1 HIS 106 -5.769 -25.244 0.422 790 HD2 HIS 106 HD2 HIS 106 -4.127 -27.925 3.136 791 HE1 HIS 106 HE1 HIS 106 -7.061 -27.380 0.124 792 HE2 HIS 106 HE2 HIS 106 -6.154 -28.935 1.889 793 H HIS 107 HN HIS 107 -1.906 -26.853 -0.134 794 HA HIS 107 HA HIS 107 -1.989 -24.804 -2.250 795 1HB HIS 107 HB2 HIS 107 0.104 -26.094 -2.100 796 2HB HIS 107 HB1 HIS 107 -0.794 -27.591 -2.268 797 HD1 HIS 107 HD1 HIS 107 1.163 -27.618 -4.269 798 HD2 HIS 107 HD2 HIS 107 -2.236 -25.287 -4.848 799 HE1 HIS 107 HE1 HIS 107 1.026 -27.218 -6.748 800 HE2 HIS 107 HE2 HIS 107 -1.065 -25.864 -7.083 801 H GLU 108 HN GLU 108 -4.053 -24.645 -2.893 802 HA GLU 108 HA GLU 108 -5.512 -27.149 -3.440 803 1HB GLU 108 HB2 GLU 108 -7.604 -25.933 -2.961 804 2HB GLU 108 HB1 GLU 108 -6.541 -26.012 -1.566 805 1HG GLU 108 HG2 GLU 108 -6.708 -23.608 -3.372 806 2HG GLU 108 HG1 GLU 108 -7.723 -23.822 -1.948 807 H ARG 109 HN ARG 109 -7.358 -26.773 -4.965 808 HA ARG 109 HA ARG 109 -6.724 -24.901 -7.130 809 1HB ARG 109 HB2 ARG 109 -5.683 -27.063 -7.699 810 2HB ARG 109 HB1 ARG 109 -7.213 -27.884 -7.436 811 1HG ARG 109 HG2 ARG 109 -8.190 -26.758 -9.343 812 2HG ARG 109 HG1 ARG 109 -6.716 -25.813 -9.573 813 1HD ARG 109 HD2 ARG 109 -6.874 -27.737 -11.125 814 2HD ARG 109 HD1 ARG 109 -5.456 -27.817 -10.078 815 HE ARG 109 HE ARG 109 -7.665 -29.247 -8.969 816 1HH1 ARG 109 HH11 ARG 109 -5.108 -29.483 -11.354 817 2HH1 ARG 109 HH12 ARG 109 -5.069 -31.217 -11.319 818 1HH2 ARG 109 HH21 ARG 109 -7.591 -31.519 -8.903 819 2HH2 ARG 109 HH22 ARG 109 -6.469 -32.380 -9.916 820 H SER 110 HN SER 110 -8.521 -23.658 -7.008 821 HA SER 110 HA SER 110 -11.060 -24.932 -6.264 822 1HB SER 110 HB2 SER 110 -10.252 -22.011 -6.219 823 2HB SER 110 HB1 SER 110 -11.792 -22.660 -5.651 824 HG SER 110 HG SER 110 -9.212 -23.249 -4.612 825 H GLN 111 HN GLN 111 -12.816 -24.901 -7.522 826 HA GLN 111 HA GLN 111 -12.590 -23.767 -10.215 827 1HB GLN 111 HB2 GLN 111 -14.577 -25.730 -9.038 828 2HB GLN 111 HB1 GLN 111 -14.657 -25.109 -10.678 829 1HG GLN 111 HG2 GLN 111 -13.695 -27.264 -10.793 830 2HG GLN 111 HG1 GLN 111 -12.399 -26.109 -11.084 831 1HE2 GLN 111 HE21 GLN 111 -10.733 -25.951 -9.615 832 2HE2 GLN 111 HE22 GLN 111 -10.509 -27.068 -8.317 833 H PHE 112 HN PHE 112 -13.978 -22.247 -10.970 834 HA PHE 112 HA PHE 112 -15.893 -21.065 -9.058 835 1HB PHE 112 HB2 PHE 112 -13.952 -19.635 -10.904 836 2HB PHE 112 HB1 PHE 112 -15.283 -18.835 -10.075 837 HD1 PHE 112 HD1 PHE 112 -12.166 -20.774 -9.489 838 HD2 PHE 112 HD2 PHE 112 -15.038 -18.077 -7.870 839 HE1 PHE 112 HE1 PHE 112 -10.739 -20.441 -7.515 840 HE2 PHE 112 HE2 PHE 112 -13.612 -17.741 -5.894 841 HZ PHE 112 HZ PHE 112 -11.459 -18.925 -5.715 842 H ARG 113 HN ARG 113 -17.749 -20.143 -9.990 843 HA ARG 113 HA ARG 113 -18.292 -20.959 -12.770 844 1HB ARG 113 HB2 ARG 113 -19.671 -22.049 -11.001 845 2HB ARG 113 HB1 ARG 113 -20.274 -20.464 -10.535 846 1HG ARG 113 HG2 ARG 113 -21.438 -20.192 -12.574 847 2HG ARG 113 HG1 ARG 113 -20.594 -21.551 -13.322 848 1HD ARG 113 HD2 ARG 113 -21.660 -22.981 -11.472 849 2HD ARG 113 HD1 ARG 113 -22.716 -21.598 -11.188 850 HE ARG 113 HE ARG 113 -23.011 -21.994 -13.829 851 1HH1 ARG 113 HH11 ARG 113 -23.179 -24.151 -11.077 852 2HH1 ARG 113 HH12 ARG 113 -24.268 -25.262 -11.845 853 1HH2 ARG 113 HH21 ARG 113 -24.448 -23.480 -14.856 854 2HH2 ARG 113 HH22 ARG 113 -24.962 -24.896 -13.996 855 H LYS 114 HN LYS 114 -19.415 -19.498 -14.119 856 HA LYS 114 HA LYS 114 -19.129 -16.687 -13.274 857 1HB LYS 114 HB2 LYS 114 -17.604 -17.589 -15.104 858 2HB LYS 114 HB1 LYS 114 -19.042 -17.693 -16.112 859 1HG LYS 114 HG2 LYS 114 -19.394 -15.297 -15.901 860 2HG LYS 114 HG1 LYS 114 -17.996 -15.174 -14.827 861 1HD LYS 114 HD2 LYS 114 -16.605 -16.113 -16.709 862 2HD LYS 114 HD1 LYS 114 -18.019 -15.928 -17.750 863 1HE LYS 114 HE2 LYS 114 -18.060 -13.521 -17.191 864 2HE LYS 114 HE1 LYS 114 -16.583 -13.736 -16.254 865 1HZ LYS 114 HZ1 LYS 114 -16.850 -14.271 -19.164 866 2HZ LYS 114 HZ2 LYS 114 -15.439 -14.441 -18.252 867 3HZ LYS 114 HZ3 LYS 114 -16.117 -12.912 -18.479 868 H ALA 115 HN ALA 115 -20.889 -15.472 -13.258 869 HA ALA 115 HA ALA 115 -23.152 -16.124 -14.995 870 1HB ALA 115 HB1 ALA 115 -23.443 -15.669 -12.020 871 2HB ALA 115 HB2 ALA 115 -23.609 -17.224 -12.838 872 3HB ALA 115 HB3 ALA 115 -24.755 -15.923 -13.172 873 H ARG 116 HN ARG 116 -23.848 -14.360 -15.988 874 HA ARG 116 HA ARG 116 -24.101 -12.203 -16.633 875 1HB ARG 116 HB2 ARG 116 -24.314 -11.759 -13.643 876 2HB ARG 116 HB1 ARG 116 -24.716 -10.555 -14.855 877 1HG ARG 116 HG2 ARG 116 -26.773 -11.460 -14.223 878 2HG ARG 116 HG1 ARG 116 -26.401 -12.257 -15.752 879 1HD ARG 116 HD2 ARG 116 -25.584 -14.218 -14.528 880 2HD ARG 116 HD1 ARG 116 -25.948 -13.418 -12.999 881 HE ARG 116 HE ARG 116 -28.130 -13.832 -14.907 882 1HH1 ARG 116 HH11 ARG 116 -26.576 -14.711 -11.894 883 2HH1 ARG 116 HH12 ARG 116 -27.934 -15.613 -11.306 884 1HH2 ARG 116 HH21 ARG 116 -29.929 -14.996 -14.131 885 2HH2 ARG 116 HH22 ARG 116 -29.854 -15.760 -12.576 886 H GLY 117 HN GLY 117 -21.383 -13.223 -16.079 887 1HA GLY 117 HA2 GLY 117 -19.358 -12.190 -16.673 888 2HA GLY 117 HA1 GLY 117 -20.020 -10.638 -16.192 889 H ARG 118 HN ARG 118 -20.919 -12.079 -13.596 890 HA ARG 118 HA ARG 118 -18.444 -11.491 -12.175 891 1HB ARG 118 HB2 ARG 118 -21.123 -12.318 -11.023 892 2HB ARG 118 HB1 ARG 118 -19.745 -11.708 -10.122 893 1HG ARG 118 HG2 ARG 118 -21.051 -9.833 -10.235 894 2HG ARG 118 HG1 ARG 118 -20.042 -9.607 -11.665 895 1HD ARG 118 HD2 ARG 118 -22.393 -9.145 -12.152 896 2HD ARG 118 HD1 ARG 118 -21.812 -10.535 -13.071 897 HE ARG 118 HE ARG 118 -22.903 -11.908 -11.242 898 1HH1 ARG 118 HH11 ARG 118 -24.088 -8.758 -12.196 899 2HH1 ARG 118 HH12 ARG 118 -25.709 -9.064 -11.664 900 1HH2 ARG 118 HH21 ARG 118 -25.035 -12.325 -10.553 901 2HH2 ARG 118 HH22 ARG 118 -26.247 -11.095 -10.724 902 H TRP 119 HN TRP 119 -17.264 -12.968 -11.002 903 HA TRP 119 HA TRP 119 -17.835 -15.789 -11.537 904 1HB TRP 119 HB2 TRP 119 -15.342 -14.322 -10.684 905 2HB TRP 119 HB1 TRP 119 -15.472 -16.072 -10.536 906 HD1 TRP 119 HD1 TRP 119 -15.110 -13.312 -13.154 907 HE1 TRP 119 HE1 TRP 119 -14.520 -14.406 -15.415 908 HE3 TRP 119 HE3 TRP 119 -15.794 -18.211 -11.893 909 HZ2 TRP 119 HZ2 TRP 119 -14.383 -16.991 -16.505 910 HZ3 TRP 119 HZ3 TRP 119 -15.419 -19.935 -13.605 911 HH2 TRP 119 HH2 TRP 119 -14.727 -19.335 -15.868 912 H TYR 120 HN TYR 120 -18.089 -17.276 -9.950 913 HA TYR 120 HA TYR 120 -18.318 -16.328 -7.176 914 1HB TYR 120 HB2 TYR 120 -20.296 -18.117 -8.627 915 2HB TYR 120 HB1 TYR 120 -20.373 -17.674 -6.926 916 HD1 TYR 120 HD2 TYR 120 -20.895 -16.517 -10.367 917 HD2 TYR 120 HD1 TYR 120 -21.094 -15.438 -6.249 918 HE1 TYR 120 HE2 TYR 120 -22.234 -14.542 -10.953 919 HE2 TYR 120 HE1 TYR 120 -22.438 -13.463 -6.829 920 HH TYR 120 HH TYR 120 -22.875 -12.023 -8.733 921 H PHE 121 HN PHE 121 -17.674 -17.800 -5.637 922 HA PHE 121 HA PHE 121 -15.964 -19.919 -6.492 923 1HB PHE 121 HB2 PHE 121 -15.305 -18.816 -4.521 924 2HB PHE 121 HB1 PHE 121 -16.903 -18.952 -3.795 925 HD1 PHE 121 HD1 PHE 121 -13.844 -20.824 -4.687 926 HD2 PHE 121 HD2 PHE 121 -17.526 -20.872 -2.542 927 HE1 PHE 121 HE1 PHE 121 -13.150 -22.881 -3.538 928 HE2 PHE 121 HE2 PHE 121 -16.837 -22.930 -1.392 929 HZ PHE 121 HZ PHE 121 -14.640 -23.936 -1.884 930 H SER 122 HN SER 122 -16.582 -21.883 -7.099 931 HA SER 122 HA SER 122 -19.209 -22.885 -6.309 932 1HB SER 122 HB2 SER 122 -17.215 -23.966 -8.323 933 2HB SER 122 HB1 SER 122 -18.842 -24.591 -8.053 934 HG SER 122 HG SER 122 -19.544 -22.363 -8.578 935 H GLU 123 HN GLU 123 -15.946 -24.324 -6.639 936 HA GLU 123 HA GLU 123 -16.352 -25.764 -4.129 937 1HB GLU 123 HB2 GLU 123 -15.761 -27.924 -5.208 938 2HB GLU 123 HB1 GLU 123 -17.292 -27.270 -5.772 939 1HG GLU 123 HG2 GLU 123 -16.009 -26.331 -7.749 940 2HG GLU 123 HG1 GLU 123 -14.656 -27.328 -7.220 941 H GLY 124 HN GLY 124 -14.498 -26.213 -3.050 942 1HA GLY 124 HA2 GLY 124 -11.944 -25.497 -4.364 943 2HA GLY 124 HA1 GLY 124 -12.359 -24.896 -2.765 944 H GLU 125 HN GLU 125 -10.910 -27.375 -4.514 945 HA GLU 125 HA GLU 125 -10.688 -29.054 -2.097 946 1HB GLU 125 HB2 GLU 125 -10.414 -30.993 -3.656 947 2HB GLU 125 HB1 GLU 125 -12.012 -30.258 -3.713 948 1HG GLU 125 HG2 GLU 125 -11.484 -29.130 -5.773 949 2HG GLU 125 HG1 GLU 125 -9.808 -29.671 -5.687 950 H ALA 126 HN ALA 126 -8.671 -30.433 -2.159 951 HA ALA 126 HA ALA 126 -6.383 -28.777 -2.608 952 1HB ALA 126 HB1 ALA 126 -6.534 -31.706 -1.872 953 2HB ALA 126 HB2 ALA 126 -6.477 -30.357 -0.738 954 3HB ALA 126 HB3 ALA 126 -5.095 -30.690 -1.781 955 H VAL 127 HN VAL 127 -4.608 -29.229 -4.033 956 HA VAL 127 HA VAL 127 -5.490 -29.897 -6.660 957 HB VAL 127 HB VAL 127 -3.797 -28.174 -6.327 958 1HG1 VAL 127 HG11 VAL 127 -2.641 -29.108 -4.393 959 2HG1 VAL 127 HG12 VAL 127 -1.499 -28.732 -5.682 960 3HG1 VAL 127 HG13 VAL 127 -1.984 -30.404 -5.394 961 1HG2 VAL 127 HG21 VAL 127 -2.206 -28.860 -8.063 962 2HG2 VAL 127 HG22 VAL 127 -3.853 -29.336 -8.478 963 3HG2 VAL 127 HG23 VAL 127 -2.714 -30.538 -7.870 964 H ASP 128 HN ASP 128 -5.418 -31.758 -7.722 965 HA ASP 128 HA ASP 128 -3.526 -33.837 -6.988 966 1HB ASP 128 HB2 ASP 128 -6.396 -33.999 -6.368 967 2HB ASP 128 HB1 ASP 128 -5.824 -35.359 -7.326 Start of MODEL 15 1 1H MET 1 HT1 MET 1 2.885 0.513 1.197 2 2H MET 1 HT2 MET 1 1.393 0.527 0.406 3 3H MET 1 HT3 MET 1 2.767 -0.045 -0.393 4 HA MET 1 HA MET 1 2.940 -1.888 1.128 5 1HB MET 1 HB2 MET 1 0.395 -0.710 2.284 6 2HB MET 1 HB1 MET 1 1.017 -2.304 2.683 7 1HG MET 1 HG2 MET 1 3.013 -1.318 3.645 8 2HG MET 1 HG1 MET 1 2.467 0.291 3.176 9 1HE MET 1 HE1 MET 1 2.902 1.079 5.674 10 2HE MET 1 HE2 MET 1 3.379 -0.550 6.153 11 3HE MET 1 HE3 MET 1 2.164 0.322 7.087 12 H ASN 2 HN ASN 2 2.281 -3.749 0.167 13 HA ASN 2 HA ASN 2 0.598 -3.505 -2.144 14 1HB ASN 2 HB2 ASN 2 1.176 -5.809 -2.617 15 2HB ASN 2 HB1 ASN 2 2.625 -4.947 -2.117 16 1HD2 ASN 2 HD21 ASN 2 1.923 -7.823 -2.078 17 2HD2 ASN 2 HD22 ASN 2 2.189 -8.335 -0.452 18 H CYS 3 HN CYS 3 -1.236 -4.781 -2.613 19 HA CYS 3 HA CYS 3 -3.143 -4.978 -0.491 20 1HB CYS 3 HB2 CYS 3 -3.527 -4.510 -3.028 21 2HB CYS 3 HB1 CYS 3 -3.444 -6.264 -3.204 22 H VAL 4 HN VAL 4 -3.522 -6.730 0.804 23 HA VAL 4 HA VAL 4 -2.128 -9.142 0.652 24 HB VAL 4 HB VAL 4 -4.021 -10.093 2.069 25 1HG1 VAL 4 HG11 VAL 4 -2.719 -7.515 2.966 26 2HG1 VAL 4 HG12 VAL 4 -1.997 -9.123 3.030 27 3HG1 VAL 4 HG13 VAL 4 -3.403 -8.748 4.027 28 1HG2 VAL 4 HG21 VAL 4 -5.834 -8.692 1.231 29 2HG2 VAL 4 HG22 VAL 4 -5.032 -7.249 1.848 30 3HG2 VAL 4 HG23 VAL 4 -5.643 -8.466 2.970 31 H CYS 5 HN CYS 5 -2.087 -9.876 -1.388 32 HA CYS 5 HA CYS 5 -4.151 -11.522 -2.394 33 1HB CYS 5 HB2 CYS 5 -3.776 -8.838 -3.723 34 2HB CYS 5 HB1 CYS 5 -4.524 -10.211 -4.530 35 H GLY 6 HN GLY 6 -3.518 -12.549 -4.461 36 1HA GLY 6 HA2 GLY 6 -0.689 -12.699 -4.935 37 2HA GLY 6 HA1 GLY 6 -1.955 -13.452 -5.901 38 H SER 7 HN SER 7 -0.865 -10.181 -5.092 39 HA SER 7 HA SER 7 -0.197 -9.286 -7.624 40 1HB SER 7 HB2 SER 7 -2.303 -7.753 -7.929 41 2HB SER 7 HB1 SER 7 -2.383 -9.428 -8.470 42 HG SER 7 HG SER 7 -3.755 -9.887 -6.927 43 H GLY 8 HN GLY 8 1.141 -7.682 -7.119 44 1HA GLY 8 HA2 GLY 8 1.168 -6.598 -4.464 45 2HA GLY 8 HA1 GLY 8 2.300 -6.236 -5.753 46 H LYS 9 HN LYS 9 -0.887 -5.724 -6.753 47 HA LYS 9 HA LYS 9 -0.550 -2.898 -6.898 48 1HB LYS 9 HB2 LYS 9 -3.132 -4.446 -7.263 49 2HB LYS 9 HB1 LYS 9 -2.751 -2.848 -7.896 50 1HG LYS 9 HG2 LYS 9 -0.871 -3.989 -9.182 51 2HG LYS 9 HG1 LYS 9 -1.649 -5.509 -8.757 52 1HD LYS 9 HD2 LYS 9 -2.858 -3.241 -10.349 53 2HD LYS 9 HD1 LYS 9 -2.347 -4.809 -10.971 54 1HE LYS 9 HE2 LYS 9 -4.059 -5.903 -9.589 55 2HE LYS 9 HE1 LYS 9 -4.577 -4.326 -8.989 56 1HZ LYS 9 HZ1 LYS 9 -5.131 -3.707 -11.274 57 2HZ LYS 9 HZ2 LYS 9 -6.005 -5.063 -10.770 58 3HZ LYS 9 HZ3 LYS 9 -4.687 -5.247 -11.811 59 H THR 10 HN THR 10 -2.301 -1.376 -6.007 60 HA THR 10 HA THR 10 -2.208 -1.630 -3.164 61 HB THR 10 HB THR 10 -3.317 0.537 -3.076 62 HG1 THR 10 HG1 THR 10 -3.983 1.523 -5.067 63 1HG2 THR 10 HG21 THR 10 -1.273 0.420 -5.301 64 2HG2 THR 10 HG22 THR 10 -0.921 0.527 -3.575 65 3HG2 THR 10 HG23 THR 10 -1.726 1.865 -4.397 66 H TYR 11 HN TYR 11 -4.297 -0.987 -1.894 67 HA TYR 11 HA TYR 11 -6.189 -3.049 -2.082 68 1HB TYR 11 HB2 TYR 11 -5.984 -2.012 0.033 69 2HB TYR 11 HB1 TYR 11 -6.164 -0.397 -0.642 70 HD1 TYR 11 HD2 TYR 11 -8.053 -3.561 -0.033 71 HD2 TYR 11 HD1 TYR 11 -8.267 0.649 -0.656 72 HE1 TYR 11 HE2 TYR 11 -10.458 -3.608 0.471 73 HE2 TYR 11 HE1 TYR 11 -10.672 0.607 -0.155 74 HH TYR 11 HH TYR 11 -12.533 -1.002 -0.192 75 H ASP 12 HN ASP 12 -6.549 0.404 -2.864 76 HA ASP 12 HA ASP 12 -9.153 0.194 -3.921 77 1HB ASP 12 HB2 ASP 12 -7.013 2.292 -4.356 78 2HB ASP 12 HB1 ASP 12 -8.672 2.452 -4.923 79 H ASP 13 HN ASP 13 -5.968 0.128 -5.446 80 HA ASP 13 HA ASP 13 -6.850 0.204 -8.126 81 1HB ASP 13 HB2 ASP 13 -4.462 0.530 -7.219 82 2HB ASP 13 HB1 ASP 13 -4.361 -1.223 -7.176 83 H CYS 14 HN CYS 14 -6.048 -2.477 -5.971 84 HA CYS 14 HA CYS 14 -6.737 -4.440 -7.985 85 1HB CYS 14 HB2 CYS 14 -4.919 -5.178 -6.780 86 2HB CYS 14 HB1 CYS 14 -5.510 -4.529 -5.260 87 H CYS 15 HN CYS 15 -7.814 -4.227 -4.559 88 HA CYS 15 HA CYS 15 -10.120 -5.828 -5.190 89 1HB CYS 15 HB2 CYS 15 -9.129 -4.552 -2.653 90 2HB CYS 15 HB1 CYS 15 -10.710 -5.325 -2.734 91 H GLY 16 HN GLY 16 -9.531 -2.433 -5.117 92 1HA GLY 16 HA2 GLY 16 -11.791 -1.391 -3.952 93 2HA GLY 16 HA1 GLY 16 -10.916 -0.610 -5.253 94 HA PRO 17 HA PRO 17 -14.182 -1.221 -8.165 95 1HB PRO 17 HB2 PRO 17 -13.360 -2.992 -10.106 96 2HB PRO 17 HB1 PRO 17 -12.856 -1.301 -10.027 97 1HG PRO 17 HG2 PRO 17 -11.410 -3.755 -9.099 98 2HG PRO 17 HG1 PRO 17 -10.774 -2.334 -9.950 99 1HD PRO 17 HD2 PRO 17 -10.448 -2.662 -7.297 100 2HD PRO 17 HD1 PRO 17 -10.693 -1.055 -8.015 101 H LEU 18 HN LEU 18 -12.840 -4.271 -7.046 102 HA LEU 18 HA LEU 18 -15.142 -5.834 -7.754 103 1HB LEU 18 HB2 LEU 18 -12.732 -6.405 -6.030 104 2HB LEU 18 HB1 LEU 18 -14.036 -7.559 -6.225 105 HG LEU 18 HG LEU 18 -12.312 -8.215 -7.720 106 1HD1 LEU 18 HD11 LEU 18 -14.409 -6.762 -9.321 107 2HD1 LEU 18 HD12 LEU 18 -14.561 -8.377 -8.629 108 3HD1 LEU 18 HD13 LEU 18 -13.376 -8.071 -9.896 109 1HD2 LEU 18 HD21 LEU 18 -11.036 -6.141 -7.790 110 2HD2 LEU 18 HD22 LEU 18 -12.282 -5.391 -8.788 111 3HD2 LEU 18 HD23 LEU 18 -11.344 -6.747 -9.417 112 H LEU 19 HN LEU 19 -13.827 -4.576 -4.706 113 HA LEU 19 HA LEU 19 -15.980 -5.488 -3.090 114 1HB LEU 19 HB2 LEU 19 -13.773 -3.479 -2.673 115 2HB LEU 19 HB1 LEU 19 -15.005 -3.752 -1.452 116 HG LEU 19 HG LEU 19 -13.189 -5.925 -2.524 117 1HD1 LEU 19 HD11 LEU 19 -11.879 -4.228 -1.346 118 2HD1 LEU 19 HD12 LEU 19 -11.960 -5.729 -0.426 119 3HD1 LEU 19 HD13 LEU 19 -12.959 -4.352 0.044 120 1HD2 LEU 19 HD21 LEU 19 -15.029 -5.850 -0.134 121 2HD2 LEU 19 HD22 LEU 19 -13.959 -7.182 -0.579 122 3HD2 LEU 19 HD23 LEU 19 -15.303 -6.741 -1.632 123 H ALA 20 HN ALA 20 -15.426 -2.648 -5.023 124 HA ALA 20 HA ALA 20 -17.587 -1.096 -3.988 125 1HB ALA 20 HB1 ALA 20 -15.756 -0.081 -5.269 126 2HB ALA 20 HB2 ALA 20 -17.323 0.262 -6.003 127 3HB ALA 20 HB3 ALA 20 -16.269 -0.967 -6.707 128 H ARG 21 HN ARG 21 -17.494 -3.958 -5.699 129 HA ARG 21 HA ARG 21 -19.078 -5.298 -6.615 130 1HB ARG 21 HB2 ARG 21 -21.039 -3.283 -5.475 131 2HB ARG 21 HB1 ARG 21 -21.420 -4.924 -5.981 132 1HG ARG 21 HG2 ARG 21 -19.527 -4.221 -3.740 133 2HG ARG 21 HG1 ARG 21 -21.225 -4.646 -3.522 134 1HD ARG 21 HD2 ARG 21 -19.265 -6.463 -4.916 135 2HD ARG 21 HD1 ARG 21 -19.514 -6.498 -3.173 136 HE ARG 21 HE ARG 21 -21.819 -7.132 -3.586 137 1HH1 ARG 21 HH11 ARG 21 -19.628 -7.433 -6.306 138 2HH1 ARG 21 HH12 ARG 21 -20.610 -8.606 -7.124 139 1HH2 ARG 21 HH21 ARG 21 -23.081 -8.706 -4.650 140 2HH2 ARG 21 HH22 ARG 21 -22.547 -9.349 -6.174 141 H THR 22 HN THR 22 -18.098 -2.715 -7.991 142 HA THR 22 HA THR 22 -20.348 -2.273 -9.834 143 HB THR 22 HB THR 22 -19.374 -0.312 -8.556 144 HG1 THR 22 HG1 THR 22 -18.990 0.674 -10.980 145 1HG2 THR 22 HG21 THR 22 -17.074 -0.683 -10.489 146 2HG2 THR 22 HG22 THR 22 -16.994 -0.926 -8.744 147 3HG2 THR 22 HG23 THR 22 -17.303 0.683 -9.398 148 H ARG 23 HN ARG 23 -17.458 -3.946 -9.666 149 HA ARG 23 HA ARG 23 -17.309 -4.037 -12.605 150 1HB ARG 23 HB2 ARG 23 -15.386 -2.757 -11.874 151 2HB ARG 23 HB1 ARG 23 -14.967 -3.988 -10.689 152 1HG ARG 23 HG2 ARG 23 -14.484 -5.576 -12.477 153 2HG ARG 23 HG1 ARG 23 -14.957 -4.380 -13.684 154 1HD ARG 23 HD2 ARG 23 -13.132 -2.929 -12.988 155 2HD ARG 23 HD1 ARG 23 -12.680 -4.073 -11.725 156 HE ARG 23 HE ARG 23 -12.535 -5.570 -13.972 157 1HH1 ARG 23 HH11 ARG 23 -11.238 -2.419 -13.173 158 2HH1 ARG 23 HH12 ARG 23 -9.797 -2.628 -14.117 159 1HH2 ARG 23 HH21 ARG 23 -10.643 -5.862 -15.215 160 2HH2 ARG 23 HH22 ARG 23 -9.443 -4.607 -15.259 161 H SER 24 HN SER 24 -17.300 -5.997 -13.471 162 HA SER 24 HA SER 24 -17.359 -8.331 -11.730 163 1HB SER 24 HB2 SER 24 -17.728 -8.154 -14.740 164 2HB SER 24 HB1 SER 24 -18.130 -9.527 -13.706 165 HG SER 24 HG SER 24 -19.299 -6.939 -13.540 166 H ALA 25 HN ALA 25 -15.569 -9.489 -11.341 167 HA ALA 25 HA ALA 25 -13.046 -8.928 -12.376 168 1HB ALA 25 HB1 ALA 25 -14.000 -11.517 -11.142 169 2HB ALA 25 HB2 ALA 25 -13.398 -10.109 -10.265 170 3HB ALA 25 HB3 ALA 25 -12.318 -11.014 -11.325 171 H ALA 26 HN ALA 26 -15.481 -11.213 -13.459 172 HA ALA 26 HA ALA 26 -15.798 -12.323 -15.406 173 1HB ALA 26 HB1 ALA 26 -14.837 -11.403 -17.441 174 2HB ALA 26 HB2 ALA 26 -13.686 -10.460 -16.493 175 3HB ALA 26 HB3 ALA 26 -15.412 -10.109 -16.389 176 H SER 27 HN SER 27 -13.238 -12.832 -13.578 177 HA SER 27 HA SER 27 -12.309 -15.085 -15.149 178 1HB SER 27 HB2 SER 27 -10.818 -13.243 -15.860 179 2HB SER 27 HB1 SER 27 -10.388 -12.942 -14.177 180 HG SER 27 HG SER 27 -8.810 -14.253 -14.784 181 HA PRO 28 HA PRO 28 -12.546 -16.918 -11.132 182 1HB PRO 28 HB2 PRO 28 -10.697 -18.968 -11.535 183 2HB PRO 28 HB1 PRO 28 -12.407 -19.031 -11.969 184 1HG PRO 28 HG2 PRO 28 -10.034 -18.471 -13.689 185 2HG PRO 28 HG1 PRO 28 -11.524 -19.347 -14.076 186 1HD PRO 28 HD2 PRO 28 -11.075 -16.823 -14.928 187 2HD PRO 28 HD1 PRO 28 -12.701 -17.409 -14.522 188 H GLU 29 HN GLU 29 -9.287 -16.455 -12.505 189 HA GLU 29 HA GLU 29 -8.007 -16.534 -9.957 190 1HB GLU 29 HB2 GLU 29 -6.003 -15.673 -11.240 191 2HB GLU 29 HB1 GLU 29 -6.674 -17.201 -11.780 192 1HG GLU 29 HG2 GLU 29 -6.257 -16.132 -13.769 193 2HG GLU 29 HG1 GLU 29 -7.957 -15.757 -13.508 194 H ALA 30 HN ALA 30 -9.336 -13.987 -11.946 195 HA ALA 30 HA ALA 30 -8.274 -11.820 -10.423 196 1HB ALA 30 HB1 ALA 30 -10.694 -11.897 -12.230 197 2HB ALA 30 HB2 ALA 30 -9.044 -11.519 -12.728 198 3HB ALA 30 HB3 ALA 30 -9.901 -10.441 -11.625 199 H LEU 31 HN LEU 31 -11.158 -13.783 -10.273 200 HA LEU 31 HA LEU 31 -12.542 -12.135 -8.384 201 1HB LEU 31 HB2 LEU 31 -13.588 -13.656 -10.096 202 2HB LEU 31 HB1 LEU 31 -13.057 -15.019 -9.137 203 HG LEU 31 HG LEU 31 -15.496 -14.300 -8.933 204 1HD1 LEU 31 HD11 LEU 31 -15.609 -14.788 -6.546 205 2HD1 LEU 31 HD12 LEU 31 -13.869 -14.538 -6.409 206 3HD1 LEU 31 HD13 LEU 31 -14.496 -15.868 -7.384 207 1HD2 LEU 31 HD21 LEU 31 -15.116 -11.892 -8.784 208 2HD2 LEU 31 HD22 LEU 31 -14.279 -12.113 -7.247 209 3HD2 LEU 31 HD23 LEU 31 -15.996 -12.493 -7.379 210 H MET 32 HN MET 32 -10.533 -15.029 -8.220 211 HA MET 32 HA MET 32 -11.128 -15.707 -5.556 212 1HB MET 32 HB2 MET 32 -9.172 -17.145 -5.610 213 2HB MET 32 HB1 MET 32 -10.077 -17.290 -7.109 214 1HG MET 32 HG2 MET 32 -8.471 -16.054 -8.314 215 2HG MET 32 HG1 MET 32 -7.674 -15.506 -6.842 216 1HE MET 32 HE1 MET 32 -6.242 -17.085 -5.263 217 2HE MET 32 HE2 MET 32 -6.061 -18.817 -5.535 218 3HE MET 32 HE3 MET 32 -7.639 -18.152 -5.121 219 H ARG 33 HN ARG 33 -8.387 -13.750 -6.856 220 HA ARG 33 HA ARG 33 -7.256 -13.544 -4.228 221 1HB ARG 33 HB2 ARG 33 -5.400 -12.644 -5.164 222 2HB ARG 33 HB1 ARG 33 -6.083 -13.342 -6.624 223 1HG ARG 33 HG2 ARG 33 -6.701 -10.509 -5.849 224 2HG ARG 33 HG1 ARG 33 -5.195 -10.917 -6.668 225 1HD ARG 33 HD2 ARG 33 -7.867 -11.766 -7.747 226 2HD ARG 33 HD1 ARG 33 -7.174 -10.186 -8.104 227 HE ARG 33 HE ARG 33 -5.660 -12.645 -8.680 228 1HH1 ARG 33 HH11 ARG 33 -7.181 -9.693 -9.799 229 2HH1 ARG 33 HH12 ARG 33 -6.508 -9.807 -11.392 230 1HH2 ARG 33 HH21 ARG 33 -4.754 -12.767 -10.761 231 2HH2 ARG 33 HH22 ARG 33 -5.141 -11.553 -11.938 232 H SER 34 HN SER 34 -9.541 -11.705 -6.037 233 HA SER 34 HA SER 34 -9.243 -9.268 -4.568 234 1HB SER 34 HB2 SER 34 -11.529 -8.768 -5.571 235 2HB SER 34 HB1 SER 34 -10.248 -9.118 -6.732 236 HG SER 34 HG SER 34 -11.454 -10.673 -7.423 237 H ARG 35 HN ARG 35 -11.508 -11.998 -4.436 238 HA ARG 35 HA ARG 35 -12.896 -11.066 -2.141 239 1HB ARG 35 HB2 ARG 35 -14.087 -13.086 -2.191 240 2HB ARG 35 HB1 ARG 35 -13.681 -12.797 -3.875 241 1HG ARG 35 HG2 ARG 35 -11.728 -14.357 -3.562 242 2HG ARG 35 HG1 ARG 35 -12.403 -14.760 -1.983 243 1HD ARG 35 HD2 ARG 35 -13.597 -15.245 -4.704 244 2HD ARG 35 HD1 ARG 35 -13.160 -16.434 -3.480 245 HE ARG 35 HE ARG 35 -15.413 -14.536 -3.191 246 1HH1 ARG 35 HH11 ARG 35 -14.003 -17.698 -2.673 247 2HH1 ARG 35 HH12 ARG 35 -15.458 -18.381 -2.029 248 1HH2 ARG 35 HH21 ARG 35 -17.327 -15.422 -2.359 249 2HH2 ARG 35 HH22 ARG 35 -17.369 -17.084 -1.856 250 H TYR 36 HN TYR 36 -10.036 -13.058 -2.615 251 HA TYR 36 HA TYR 36 -9.661 -14.147 -0.104 252 1HB TYR 36 HB2 TYR 36 -8.101 -14.741 -1.795 253 2HB TYR 36 HB1 TYR 36 -7.684 -13.061 -2.113 254 HD1 TYR 36 HD1 TYR 36 -7.421 -15.701 0.527 255 HD2 TYR 36 HD2 TYR 36 -5.804 -12.108 -1.095 256 HE1 TYR 36 HE1 TYR 36 -5.499 -15.874 2.054 257 HE2 TYR 36 HE2 TYR 36 -3.882 -12.278 0.426 258 HH TYR 36 HH TYR 36 -3.293 -13.321 2.549 259 H ALA 37 HN ALA 37 -8.885 -10.882 -1.217 260 HA ALA 37 HA ALA 37 -7.628 -9.993 1.145 261 1HB ALA 37 HB1 ALA 37 -7.975 -7.735 0.263 262 2HB ALA 37 HB2 ALA 37 -9.077 -8.378 -0.956 263 3HB ALA 37 HB3 ALA 37 -7.371 -8.829 -0.982 264 H ALA 38 HN ALA 38 -10.990 -10.210 0.185 265 HA ALA 38 HA ALA 38 -12.110 -8.522 2.141 266 1HB ALA 38 HB1 ALA 38 -13.337 -10.958 0.841 267 2HB ALA 38 HB2 ALA 38 -13.376 -9.315 0.200 268 3HB ALA 38 HB3 ALA 38 -14.211 -9.694 1.706 269 H TYR 39 HN TYR 39 -11.205 -11.949 2.197 270 HA TYR 39 HA TYR 39 -12.199 -12.546 4.768 271 1HB TYR 39 HB2 TYR 39 -10.336 -13.810 2.871 272 2HB TYR 39 HB1 TYR 39 -9.946 -14.138 4.556 273 HD1 TYR 39 HD2 TYR 39 -12.497 -14.538 1.936 274 HD2 TYR 39 HD1 TYR 39 -11.369 -15.530 5.918 275 HE1 TYR 39 HE2 TYR 39 -14.258 -16.247 2.007 276 HE2 TYR 39 HE1 TYR 39 -13.128 -17.247 5.998 277 HH TYR 39 HH TYR 39 -14.719 -18.374 3.268 278 H ALA 40 HN ALA 40 -9.103 -11.239 3.672 279 HA ALA 40 HA ALA 40 -7.871 -11.150 6.226 280 1HB ALA 40 HB1 ALA 40 -6.229 -9.675 5.171 281 2HB ALA 40 HB2 ALA 40 -7.287 -9.482 3.772 282 3HB ALA 40 HB3 ALA 40 -6.588 -11.061 4.139 283 H LEU 41 HN LEU 41 -10.045 -9.028 4.520 284 HA LEU 41 HA LEU 41 -9.821 -6.915 6.523 285 1HB LEU 41 HB2 LEU 41 -11.605 -7.160 4.088 286 2HB LEU 41 HB1 LEU 41 -11.488 -5.743 5.117 287 HG LEU 41 HG LEU 41 -9.244 -6.868 3.425 288 1HD1 LEU 41 HD11 LEU 41 -11.003 -5.863 2.070 289 2HD1 LEU 41 HD12 LEU 41 -9.548 -4.868 2.056 290 3HD1 LEU 41 HD13 LEU 41 -10.931 -4.394 3.043 291 1HD2 LEU 41 HD21 LEU 41 -8.407 -5.792 5.451 292 2HD2 LEU 41 HD22 LEU 41 -9.364 -4.353 5.097 293 3HD2 LEU 41 HD23 LEU 41 -8.042 -4.820 4.026 294 H LYS 42 HN LYS 42 -10.983 -9.750 6.838 295 HA LYS 42 HA LYS 42 -12.722 -10.870 7.724 296 1HB LYS 42 HB2 LYS 42 -13.528 -10.058 9.875 297 2HB LYS 42 HB1 LYS 42 -11.793 -9.865 9.732 298 1HG LYS 42 HG2 LYS 42 -13.410 -7.500 9.004 299 2HG LYS 42 HG1 LYS 42 -13.460 -7.977 10.699 300 1HD LYS 42 HD2 LYS 42 -10.941 -7.442 9.109 301 2HD LYS 42 HD1 LYS 42 -11.695 -6.311 10.234 302 1HE LYS 42 HE2 LYS 42 -11.365 -7.937 12.059 303 2HE LYS 42 HE1 LYS 42 -10.575 -9.031 10.925 304 1HZ LYS 42 HZ1 LYS 42 -8.876 -7.340 10.560 305 2HZ LYS 42 HZ2 LYS 42 -8.954 -7.789 12.186 306 3HZ LYS 42 HZ3 LYS 42 -9.626 -6.322 11.681 307 H ASP 43 HN ASP 43 -13.435 -9.020 5.514 308 HA ASP 43 HA ASP 43 -16.255 -8.510 6.139 309 1HB ASP 43 HB2 ASP 43 -15.026 -6.656 5.073 310 2HB ASP 43 HB1 ASP 43 -14.641 -7.694 3.703 311 H PHE 44 HN PHE 44 -16.899 -10.668 6.175 312 HA PHE 44 HA PHE 44 -16.502 -12.419 3.956 313 1HB PHE 44 HB2 PHE 44 -18.230 -13.844 5.097 314 2HB PHE 44 HB1 PHE 44 -16.852 -13.423 6.103 315 HD1 PHE 44 HD1 PHE 44 -20.445 -12.936 5.560 316 HD2 PHE 44 HD2 PHE 44 -17.101 -11.953 8.013 317 HE1 PHE 44 HE1 PHE 44 -21.967 -12.081 7.292 318 HE2 PHE 44 HE2 PHE 44 -18.623 -11.099 9.747 319 HZ PHE 44 HZ PHE 44 -21.057 -11.162 9.389 320 H ASP 45 HN ASP 45 -18.526 -9.796 4.498 321 HA ASP 45 HA ASP 45 -20.925 -10.362 3.285 322 1HB ASP 45 HB2 ASP 45 -20.473 -8.231 4.364 323 2HB ASP 45 HB1 ASP 45 -19.283 -7.820 3.136 324 H TYR 46 HN TYR 46 -18.017 -9.076 1.626 325 HA TYR 46 HA TYR 46 -19.102 -9.301 -0.974 326 1HB TYR 46 HB2 TYR 46 -17.171 -7.860 -0.494 327 2HB TYR 46 HB1 TYR 46 -16.184 -9.271 -0.133 328 HD1 TYR 46 HD1 TYR 46 -18.350 -7.984 -2.901 329 HD2 TYR 46 HD2 TYR 46 -14.766 -10.018 -1.823 330 HE1 TYR 46 HE1 TYR 46 -17.721 -8.118 -5.271 331 HE2 TYR 46 HE2 TYR 46 -14.128 -10.155 -4.195 332 HH TYR 46 HH TYR 46 -15.724 -8.386 -6.636 333 H ILE 47 HN ILE 47 -17.424 -11.557 1.091 334 HA ILE 47 HA ILE 47 -16.691 -13.480 -0.832 335 HB ILE 47 HB ILE 47 -17.417 -13.927 2.074 336 1HG1 ILE 47 HG12 ILE 47 -15.619 -12.289 1.833 337 2HG1 ILE 47 HG11 ILE 47 -14.976 -13.803 2.461 338 1HG2 ILE 47 HG21 ILE 47 -16.076 -15.971 1.891 339 2HG2 ILE 47 HG22 ILE 47 -15.819 -15.654 0.174 340 3HG2 ILE 47 HG23 ILE 47 -17.441 -16.002 0.774 341 1HD1 ILE 47 HD11 ILE 47 -13.500 -12.844 0.809 342 2HD1 ILE 47 HD12 ILE 47 -14.795 -12.850 -0.386 343 3HD1 ILE 47 HD13 ILE 47 -14.157 -14.374 0.235 344 H VAL 48 HN VAL 48 -19.509 -13.302 1.302 345 HA VAL 48 HA VAL 48 -20.769 -15.646 0.520 346 HB VAL 48 HB VAL 48 -22.146 -13.086 1.382 347 1HG1 VAL 48 HG11 VAL 48 -23.867 -14.616 2.268 348 2HG1 VAL 48 HG12 VAL 48 -23.001 -15.978 1.551 349 3HG1 VAL 48 HG13 VAL 48 -23.702 -14.732 0.515 350 1HG2 VAL 48 HG21 VAL 48 -21.021 -15.326 3.076 351 2HG2 VAL 48 HG22 VAL 48 -21.960 -13.955 3.669 352 3HG2 VAL 48 HG23 VAL 48 -20.372 -13.691 2.953 353 H GLU 49 HN GLU 49 -21.014 -12.388 -0.862 354 HA GLU 49 HA GLU 49 -23.031 -13.027 -2.748 355 1HB GLU 49 HB2 GLU 49 -20.975 -10.807 -2.797 356 2HB GLU 49 HB1 GLU 49 -22.360 -10.920 -3.875 357 1HG GLU 49 HG2 GLU 49 -23.792 -10.934 -1.760 358 2HG GLU 49 HG1 GLU 49 -22.333 -10.412 -0.915 359 H THR 50 HN THR 50 -19.544 -13.325 -2.797 360 HA THR 50 HA THR 50 -19.511 -13.900 -5.662 361 HB THR 50 HB THR 50 -17.019 -14.153 -5.288 362 HG1 THR 50 HG1 THR 50 -17.352 -12.845 -2.822 363 1HG2 THR 50 HG21 THR 50 -16.619 -11.747 -5.057 364 2HG2 THR 50 HG22 THR 50 -18.259 -11.524 -4.447 365 3HG2 THR 50 HG23 THR 50 -18.001 -12.056 -6.110 366 H THR 51 HN THR 51 -20.693 -15.669 -3.458 367 HA THR 51 HA THR 51 -19.206 -18.133 -4.102 368 HB THR 51 HB THR 51 -21.194 -17.682 -1.856 369 HG1 THR 51 HG1 THR 51 -19.431 -16.616 -1.185 370 1HG2 THR 51 HG21 THR 51 -20.406 -19.833 -1.017 371 2HG2 THR 51 HG22 THR 51 -19.293 -19.982 -2.377 372 3HG2 THR 51 HG23 THR 51 -21.034 -20.029 -2.656 373 H ASP 52 HN ASP 52 -20.385 -19.968 -4.742 374 HA ASP 52 HA ASP 52 -22.340 -19.726 -6.657 375 1HB ASP 52 HB2 ASP 52 -20.897 -21.747 -6.117 376 2HB ASP 52 HB1 ASP 52 -22.015 -22.103 -4.814 377 HA PRO 53 HA PRO 53 -26.041 -18.592 -4.460 378 1HB PRO 53 HB2 PRO 53 -27.856 -19.922 -6.123 379 2HB PRO 53 HB1 PRO 53 -27.231 -18.292 -6.382 380 1HG PRO 53 HG2 PRO 53 -26.325 -20.881 -7.578 381 2HG PRO 53 HG1 PRO 53 -26.474 -19.284 -8.338 382 1HD PRO 53 HD2 PRO 53 -24.088 -20.244 -7.616 383 2HD PRO 53 HD1 PRO 53 -24.472 -18.523 -7.403 384 H GLU 54 HN GLU 54 -25.493 -21.942 -5.406 385 HA GLU 54 HA GLU 54 -27.417 -23.018 -3.555 386 1HB GLU 54 HB2 GLU 54 -25.231 -24.377 -5.153 387 2HB GLU 54 HB1 GLU 54 -26.519 -25.203 -4.283 388 1HG GLU 54 HG2 GLU 54 -28.185 -24.315 -5.738 389 2HG GLU 54 HG1 GLU 54 -27.027 -23.222 -6.493 390 H ARG 55 HN ARG 55 -23.948 -22.440 -3.591 391 HA ARG 55 HA ARG 55 -23.470 -23.883 -1.127 392 1HB ARG 55 HB2 ARG 55 -21.676 -21.920 -2.581 393 2HB ARG 55 HB1 ARG 55 -21.188 -22.993 -1.278 394 1HG ARG 55 HG2 ARG 55 -22.039 -23.770 -4.058 395 2HG ARG 55 HG1 ARG 55 -20.431 -23.905 -3.346 396 1HD ARG 55 HD2 ARG 55 -21.427 -25.482 -1.656 397 2HD ARG 55 HD1 ARG 55 -22.907 -25.465 -2.616 398 HE ARG 55 HE ARG 55 -20.540 -26.933 -3.148 399 1HH1 ARG 55 HH11 ARG 55 -23.133 -25.229 -4.784 400 2HH1 ARG 55 HH12 ARG 55 -22.985 -26.146 -6.246 401 1HH2 ARG 55 HH21 ARG 55 -20.347 -28.139 -5.057 402 2HH2 ARG 55 HH22 ARG 55 -21.394 -27.811 -6.403 403 H ARG 56 HN ARG 56 -24.355 -20.711 -2.097 404 HA ARG 56 HA ARG 56 -23.363 -19.183 0.027 405 1HB ARG 56 HB2 ARG 56 -24.331 -18.356 -2.170 406 2HB ARG 56 HB1 ARG 56 -25.926 -18.634 -1.484 407 1HG ARG 56 HG2 ARG 56 -25.457 -17.034 0.295 408 2HG ARG 56 HG1 ARG 56 -23.834 -16.782 -0.350 409 1HD ARG 56 HD2 ARG 56 -25.200 -14.973 -1.095 410 2HD ARG 56 HD1 ARG 56 -24.883 -16.013 -2.484 411 HE ARG 56 HE ARG 56 -27.357 -16.508 -1.045 412 1HH1 ARG 56 HH11 ARG 56 -25.793 -15.026 -3.810 413 2HH1 ARG 56 HH12 ARG 56 -27.286 -14.723 -4.644 414 1HH2 ARG 56 HH21 ARG 56 -29.301 -16.159 -2.147 415 2HH2 ARG 56 HH22 ARG 56 -29.289 -15.378 -3.699 416 H ASP 57 HN ASP 57 -26.143 -21.246 -0.252 417 HA ASP 57 HA ASP 57 -27.567 -20.429 2.036 418 1HB ASP 57 HB2 ASP 57 -28.544 -21.943 0.373 419 2HB ASP 57 HB1 ASP 57 -27.356 -23.180 0.774 420 H LEU 58 HN LEU 58 -24.976 -22.780 1.558 421 HA LEU 58 HA LEU 58 -24.921 -23.672 4.273 422 1HB LEU 58 HB2 LEU 58 -22.806 -23.932 2.124 423 2HB LEU 58 HB1 LEU 58 -22.878 -24.850 3.619 424 HG LEU 58 HG LEU 58 -24.882 -25.002 1.355 425 1HD1 LEU 58 HD11 LEU 58 -22.753 -26.044 0.789 426 2HD1 LEU 58 HD12 LEU 58 -24.011 -27.258 1.012 427 3HD1 LEU 58 HD13 LEU 58 -22.809 -26.994 2.275 428 1HD2 LEU 58 HD21 LEU 58 -24.750 -26.543 3.951 429 2HD2 LEU 58 HD22 LEU 58 -25.851 -26.880 2.615 430 3HD2 LEU 58 HD23 LEU 58 -25.975 -25.358 3.495 431 H PHE 59 HN PHE 59 -23.421 -21.116 2.466 432 HA PHE 59 HA PHE 59 -21.420 -20.401 4.339 433 1HB PHE 59 HB2 PHE 59 -22.751 -19.071 2.021 434 2HB PHE 59 HB1 PHE 59 -21.927 -18.030 3.177 435 HD1 PHE 59 HD1 PHE 59 -21.054 -21.424 1.861 436 HD2 PHE 59 HD2 PHE 59 -19.978 -17.315 2.196 437 HE1 PHE 59 HE1 PHE 59 -18.894 -21.902 0.780 438 HE2 PHE 59 HE2 PHE 59 -17.829 -17.784 1.116 439 HZ PHE 59 HZ PHE 59 -17.275 -20.080 0.407 440 H ASP 60 HN ASP 60 -22.005 -20.159 6.413 441 HA ASP 60 HA ASP 60 -24.292 -18.408 7.039 442 1HB ASP 60 HB2 ASP 60 -24.160 -20.847 7.910 443 2HB ASP 60 HB1 ASP 60 -22.919 -20.245 9.005 444 H HIS 61 HN HIS 61 -24.003 -16.715 8.551 445 HA HIS 61 HA HIS 61 -21.711 -15.226 8.040 446 1HB HIS 61 HB2 HIS 61 -23.654 -14.844 10.328 447 2HB HIS 61 HB1 HIS 61 -22.508 -13.642 9.749 448 HD1 HIS 61 HD1 HIS 61 -22.934 -13.483 6.830 449 HD2 HIS 61 HD2 HIS 61 -26.100 -14.139 9.443 450 HE1 HIS 61 HE1 HIS 61 -24.990 -12.704 5.610 451 HE2 HIS 61 HE2 HIS 61 -26.886 -13.059 7.229 452 H ASP 62 HN ASP 62 -22.537 -17.021 11.004 453 HA ASP 62 HA ASP 62 -20.315 -16.266 12.535 454 1HB ASP 62 HB2 ASP 62 -22.016 -18.766 12.587 455 2HB ASP 62 HB1 ASP 62 -20.707 -18.503 13.732 456 H VAL 63 HN VAL 63 -20.748 -19.008 10.346 457 HA VAL 63 HA VAL 63 -18.292 -20.275 10.968 458 HB VAL 63 HB VAL 63 -19.976 -20.573 8.469 459 1HG1 VAL 63 HG11 VAL 63 -18.960 -22.805 8.311 460 2HG1 VAL 63 HG12 VAL 63 -17.943 -22.440 9.706 461 3HG1 VAL 63 HG13 VAL 63 -17.748 -21.528 8.208 462 1HG2 VAL 63 HG21 VAL 63 -21.047 -22.454 9.626 463 2HG2 VAL 63 HG22 VAL 63 -21.310 -20.936 10.484 464 3HG2 VAL 63 HG23 VAL 63 -20.119 -22.092 11.081 465 H ASN 64 HN ASN 64 -19.287 -18.080 8.370 466 HA ASN 64 HA ASN 64 -16.984 -18.239 6.784 467 1HB ASN 64 HB2 ASN 64 -18.949 -15.967 7.169 468 2HB ASN 64 HB1 ASN 64 -17.668 -15.941 5.963 469 1HD2 ASN 64 HD21 ASN 64 -17.865 -18.776 5.350 470 2HD2 ASN 64 HD22 ASN 64 -19.320 -18.974 4.445 471 H ARG 65 HN ARG 65 -17.693 -16.283 9.620 472 HA ARG 65 HA ARG 65 -15.244 -14.775 9.487 473 1HB ARG 65 HB2 ARG 65 -17.331 -13.955 10.612 474 2HB ARG 65 HB1 ARG 65 -17.097 -15.181 11.851 475 1HG ARG 65 HG2 ARG 65 -14.838 -14.119 12.297 476 2HG ARG 65 HG1 ARG 65 -15.362 -12.792 11.258 477 1HD ARG 65 HD2 ARG 65 -15.803 -12.177 13.532 478 2HD ARG 65 HD1 ARG 65 -17.348 -12.502 12.745 479 HE ARG 65 HE ARG 65 -16.025 -14.563 14.390 480 1HH1 ARG 65 HH11 ARG 65 -18.794 -12.526 13.705 481 2HH1 ARG 65 HH12 ARG 65 -19.802 -13.285 14.896 482 1HH2 ARG 65 HH21 ARG 65 -17.363 -15.561 15.952 483 2HH2 ARG 65 HH22 ARG 65 -18.992 -15.007 16.168 484 H ALA 66 HN ALA 66 -16.446 -17.534 11.337 485 HA ALA 66 HA ALA 66 -14.495 -17.838 13.231 486 1HB ALA 66 HB1 ALA 66 -16.558 -19.148 13.151 487 2HB ALA 66 HB2 ALA 66 -15.145 -20.185 13.349 488 3HB ALA 66 HB3 ALA 66 -15.932 -20.056 11.775 489 H TRP 67 HN TRP 67 -14.401 -18.968 9.882 490 HA TRP 67 HA TRP 67 -12.144 -20.599 10.040 491 1HB TRP 67 HB2 TRP 67 -13.579 -20.644 8.091 492 2HB TRP 67 HB1 TRP 67 -13.199 -18.967 7.718 493 HD1 TRP 67 HD1 TRP 67 -11.382 -18.655 5.933 494 HE1 TRP 67 HE1 TRP 67 -9.500 -20.102 4.941 495 HE3 TRP 67 HE3 TRP 67 -11.837 -22.767 8.944 496 HZ2 TRP 67 HZ2 TRP 67 -8.355 -22.640 5.377 497 HZ3 TRP 67 HZ3 TRP 67 -10.306 -24.661 8.588 498 HH2 TRP 67 HH2 TRP 67 -8.601 -24.598 6.840 499 H MET 68 HN MET 68 -12.310 -17.155 9.090 500 HA MET 68 HA MET 68 -9.530 -16.931 8.601 501 1HB MET 68 HB2 MET 68 -9.878 -14.535 8.480 502 2HB MET 68 HB1 MET 68 -11.190 -15.361 7.652 503 1HG MET 68 HG2 MET 68 -12.735 -14.841 9.316 504 2HG MET 68 HG1 MET 68 -11.483 -14.493 10.506 505 1HE MET 68 HE1 MET 68 -9.471 -12.642 8.838 506 2HE MET 68 HE2 MET 68 -9.985 -12.349 10.500 507 3HE MET 68 HE3 MET 68 -10.094 -11.059 9.302 508 H GLU 69 HN GLU 69 -11.446 -16.631 11.496 509 HA GLU 69 HA GLU 69 -9.694 -15.001 12.985 510 1HB GLU 69 HB2 GLU 69 -11.666 -17.049 14.025 511 2HB GLU 69 HB1 GLU 69 -10.953 -15.734 14.952 512 1HG GLU 69 HG2 GLU 69 -12.024 -14.143 13.318 513 2HG GLU 69 HG1 GLU 69 -12.885 -15.527 12.655 514 H GLU 70 HN GLU 70 -9.722 -18.441 12.360 515 HA GLU 70 HA GLU 70 -7.337 -18.740 14.077 516 1HB GLU 70 HB2 GLU 70 -7.819 -21.168 14.072 517 2HB GLU 70 HB1 GLU 70 -9.111 -20.215 14.786 518 1HG GLU 70 HG2 GLU 70 -10.307 -20.370 12.575 519 2HG GLU 70 HG1 GLU 70 -9.076 -21.533 12.080 520 H SER 71 HN SER 71 -7.961 -17.991 11.076 521 HA SER 71 HA SER 71 -5.549 -19.356 10.099 522 1HB SER 71 HB2 SER 71 -8.019 -18.879 8.398 523 2HB SER 71 HB1 SER 71 -6.531 -19.684 7.899 524 HG SER 71 HG SER 71 -8.523 -20.580 9.689 525 H ASP 72 HN ASP 72 -4.629 -17.319 10.861 526 HA ASP 72 HA ASP 72 -5.361 -14.808 9.782 527 1HB ASP 72 HB2 ASP 72 -2.757 -15.744 11.020 528 2HB ASP 72 HB1 ASP 72 -3.081 -14.072 10.577 529 H PHE 73 HN PHE 73 -5.540 -14.904 7.577 530 HA PHE 73 HA PHE 73 -3.740 -16.069 5.794 531 1HB PHE 73 HB2 PHE 73 -5.620 -13.732 5.363 532 2HB PHE 73 HB1 PHE 73 -4.798 -14.606 4.072 533 HD1 PHE 73 HD2 PHE 73 -5.263 -17.098 3.827 534 HD2 PHE 73 HD1 PHE 73 -7.664 -14.514 6.220 535 HE1 PHE 73 HE2 PHE 73 -7.092 -18.741 3.763 536 HE2 PHE 73 HE1 PHE 73 -9.492 -16.159 6.160 537 HZ PHE 73 HZ PHE 73 -9.208 -18.273 4.930 538 H LEU 74 HN LEU 74 -1.876 -15.465 4.899 539 HA LEU 74 HA LEU 74 -0.720 -12.881 5.742 540 1HB LEU 74 HB2 LEU 74 0.703 -15.495 5.200 541 2HB LEU 74 HB1 LEU 74 1.458 -14.003 5.726 542 HG LEU 74 HG LEU 74 -0.536 -15.594 7.351 543 1HD1 LEU 74 HD11 LEU 74 1.352 -16.270 8.717 544 2HD1 LEU 74 HD12 LEU 74 2.458 -15.384 7.664 545 3HD1 LEU 74 HD13 LEU 74 1.587 -16.787 7.045 546 1HD2 LEU 74 HD21 LEU 74 -0.577 -13.205 7.869 547 2HD2 LEU 74 HD22 LEU 74 1.172 -13.216 8.102 548 3HD2 LEU 74 HD23 LEU 74 0.130 -14.127 9.195 549 H GLU 75 HN GLU 75 -0.593 -15.388 3.214 550 HA GLU 75 HA GLU 75 -0.196 -13.361 1.171 551 1HB GLU 75 HB2 GLU 75 2.092 -13.860 2.016 552 2HB GLU 75 HB1 GLU 75 1.851 -15.556 1.621 553 1HG GLU 75 HG2 GLU 75 3.193 -14.414 -0.067 554 2HG GLU 75 HG1 GLU 75 1.674 -15.007 -0.740 555 H LEU 76 HN LEU 76 -0.675 -14.091 -0.915 556 HA LEU 76 HA LEU 76 -1.845 -16.799 -1.076 557 1HB LEU 76 HB2 LEU 76 -3.557 -15.007 -1.109 558 2HB LEU 76 HB1 LEU 76 -2.769 -14.297 -2.507 559 HG LEU 76 HG LEU 76 -3.224 -16.423 -3.763 560 1HD1 LEU 76 HD11 LEU 76 -3.456 -17.940 -1.885 561 2HD1 LEU 76 HD12 LEU 76 -4.919 -17.952 -2.868 562 3HD1 LEU 76 HD13 LEU 76 -4.894 -17.077 -1.337 563 1HD2 LEU 76 HD21 LEU 76 -4.653 -14.459 -4.030 564 2HD2 LEU 76 HD22 LEU 76 -5.653 -14.995 -2.679 565 3HD2 LEU 76 HD23 LEU 76 -5.580 -15.953 -4.159 566 H ARG 77 HN ARG 77 -1.000 -18.072 -2.609 567 HA ARG 77 HA ARG 77 0.659 -16.825 -4.699 568 1HB ARG 77 HB2 ARG 77 2.000 -18.108 -3.093 569 2HB ARG 77 HB1 ARG 77 0.996 -19.527 -3.365 570 1HG ARG 77 HG2 ARG 77 1.774 -19.705 -5.639 571 2HG ARG 77 HG1 ARG 77 2.675 -18.194 -5.488 572 1HD ARG 77 HD2 ARG 77 4.070 -19.224 -3.740 573 2HD ARG 77 HD1 ARG 77 3.184 -20.737 -3.936 574 HE ARG 77 HE ARG 77 4.051 -20.366 -6.416 575 1HH1 ARG 77 HH11 ARG 77 5.762 -19.995 -3.379 576 2HH1 ARG 77 HH12 ARG 77 7.302 -20.427 -4.049 577 1HH2 ARG 77 HH21 ARG 77 6.055 -20.982 -7.288 578 2HH2 ARG 77 HH22 ARG 77 7.466 -21.012 -6.276 579 H VAL 78 HN VAL 78 -0.746 -16.722 -6.349 580 HA VAL 78 HA VAL 78 -2.549 -18.898 -6.970 581 HB VAL 78 HB VAL 78 -1.975 -16.298 -8.405 582 1HG1 VAL 78 HG11 VAL 78 -4.150 -18.338 -8.927 583 2HG1 VAL 78 HG12 VAL 78 -2.798 -17.958 -9.995 584 3HG1 VAL 78 HG13 VAL 78 -4.040 -16.747 -9.684 585 1HG2 VAL 78 HG21 VAL 78 -3.004 -15.981 -6.220 586 2HG2 VAL 78 HG22 VAL 78 -4.287 -17.116 -6.642 587 3HG2 VAL 78 HG23 VAL 78 -4.146 -15.584 -7.504 588 H LEU 79 HN LEU 79 -2.155 -20.503 -8.370 589 HA LEU 79 HA LEU 79 0.488 -20.561 -9.622 590 1HB LEU 79 HB2 LEU 79 -1.508 -22.799 -9.226 591 2HB LEU 79 HB1 LEU 79 0.148 -22.973 -9.782 592 HG LEU 79 HG LEU 79 -0.723 -22.067 -7.028 593 1HD1 LEU 79 HD11 LEU 79 0.294 -24.155 -6.267 594 2HD1 LEU 79 HD12 LEU 79 0.633 -24.604 -7.939 595 3HD1 LEU 79 HD13 LEU 79 -1.035 -24.452 -7.387 596 1HD2 LEU 79 HD21 LEU 79 1.311 -20.907 -7.693 597 2HD2 LEU 79 HD22 LEU 79 2.061 -22.439 -8.143 598 3HD2 LEU 79 HD23 LEU 79 1.663 -22.113 -6.455 599 H GLY 80 HN GLY 80 -2.838 -21.572 -10.518 600 1HA GLY 80 HA2 GLY 80 -2.532 -20.414 -13.151 601 2HA GLY 80 HA1 GLY 80 -2.498 -22.171 -13.143 602 H SER 81 HN SER 81 -4.432 -20.601 -14.472 603 HA SER 81 HA SER 81 -6.849 -21.514 -13.081 604 1HB SER 81 HB2 SER 81 -8.016 -19.419 -13.728 605 2HB SER 81 HB1 SER 81 -6.679 -19.113 -12.621 606 HG SER 81 HG SER 81 -5.414 -18.642 -14.567 607 H SER 82 HN SER 82 -8.660 -21.860 -14.512 608 HA SER 82 HA SER 82 -8.198 -21.728 -17.376 609 1HB SER 82 HB2 SER 82 -8.769 -24.357 -15.962 610 2HB SER 82 HB1 SER 82 -8.781 -24.122 -17.711 611 HG SER 82 HG SER 82 -6.476 -23.200 -16.631 612 H GLU 83 HN GLU 83 -10.048 -21.312 -18.454 613 HA GLU 83 HA GLU 83 -12.574 -21.378 -16.939 614 1HB GLU 83 HB2 GLU 83 -11.925 -19.180 -17.861 615 2HB GLU 83 HB1 GLU 83 -11.858 -19.871 -19.477 616 1HG GLU 83 HG2 GLU 83 -14.277 -20.379 -19.321 617 2HG GLU 83 HG1 GLU 83 -14.314 -19.586 -17.747 618 H LYS 84 HN LYS 84 -13.801 -23.117 -17.342 619 HA LYS 84 HA LYS 84 -13.600 -24.442 -19.966 620 1HB LYS 84 HB2 LYS 84 -15.017 -25.706 -17.641 621 2HB LYS 84 HB1 LYS 84 -14.136 -26.467 -18.956 622 1HG LYS 84 HG2 LYS 84 -12.897 -25.002 -16.627 623 2HG LYS 84 HG1 LYS 84 -13.010 -26.753 -16.803 624 1HD LYS 84 HD2 LYS 84 -11.542 -24.922 -18.702 625 2HD LYS 84 HD1 LYS 84 -10.780 -25.827 -17.396 626 1HE LYS 84 HE2 LYS 84 -11.480 -27.927 -18.426 627 2HE LYS 84 HE1 LYS 84 -12.295 -27.038 -19.714 628 1HZ LYS 84 HZ1 LYS 84 -10.130 -26.106 -20.346 629 2HZ LYS 84 HZ2 LYS 84 -10.156 -27.794 -20.463 630 3HZ LYS 84 HZ3 LYS 84 -9.379 -27.051 -19.160 631 H GLY 85 HN GLY 85 -14.971 -22.836 -20.931 632 1HA GLY 85 HA2 GLY 85 -16.990 -22.133 -21.766 633 2HA GLY 85 HA1 GLY 85 -17.713 -23.542 -21.007 634 H SER 86 HN SER 86 -18.684 -23.345 -18.990 635 HA SER 86 HA SER 86 -19.019 -20.580 -18.002 636 1HB SER 86 HB2 SER 86 -21.037 -22.845 -18.032 637 2HB SER 86 HB1 SER 86 -21.298 -21.276 -17.270 638 HG SER 86 HG SER 86 -21.810 -20.519 -19.147 639 H ARG 87 HN ARG 87 -17.526 -23.374 -17.275 640 HA ARG 87 HA ARG 87 -17.653 -22.773 -14.390 641 1HB ARG 87 HB2 ARG 87 -18.800 -24.958 -14.964 642 2HB ARG 87 HB1 ARG 87 -17.255 -25.554 -15.549 643 1HG ARG 87 HG2 ARG 87 -17.467 -24.503 -12.753 644 2HG ARG 87 HG1 ARG 87 -18.075 -26.112 -13.126 645 1HD ARG 87 HD2 ARG 87 -15.279 -25.282 -13.875 646 2HD ARG 87 HD1 ARG 87 -15.658 -25.887 -12.264 647 HE ARG 87 HE ARG 87 -16.499 -27.558 -14.493 648 1HH1 ARG 87 HH11 ARG 87 -13.976 -26.902 -12.152 649 2HH1 ARG 87 HH12 ARG 87 -13.406 -28.536 -12.115 650 1HH2 ARG 87 HH21 ARG 87 -15.731 -29.722 -14.453 651 2HH2 ARG 87 HH22 ARG 87 -14.417 -30.139 -13.398 652 H GLY 88 HN GLY 88 -15.680 -22.477 -13.460 653 1HA GLY 88 HA2 GLY 88 -13.307 -23.059 -15.130 654 2HA GLY 88 HA1 GLY 88 -13.510 -21.513 -14.315 655 H THR 89 HN THR 89 -11.266 -22.713 -13.752 656 HA THR 89 HA THR 89 -11.568 -23.372 -10.950 657 HB THR 89 HB THR 89 -10.212 -25.326 -12.840 658 HG1 THR 89 HG1 THR 89 -12.749 -25.169 -11.788 659 1HG2 THR 89 HG21 THR 89 -9.873 -26.703 -10.835 660 2HG2 THR 89 HG22 THR 89 -10.570 -25.430 -9.836 661 3HG2 THR 89 HG23 THR 89 -9.049 -25.152 -10.685 662 H VAL 90 HN VAL 90 -9.809 -22.771 -9.772 663 HA VAL 90 HA VAL 90 -7.340 -22.073 -11.195 664 HB VAL 90 HB VAL 90 -8.526 -19.965 -10.892 665 1HG1 VAL 90 HG11 VAL 90 -8.558 -20.600 -7.941 666 2HG1 VAL 90 HG12 VAL 90 -9.959 -20.568 -9.014 667 3HG1 VAL 90 HG13 VAL 90 -9.069 -19.082 -8.681 668 1HG2 VAL 90 HG21 VAL 90 -6.092 -19.937 -10.704 669 2HG2 VAL 90 HG22 VAL 90 -6.208 -20.231 -8.969 670 3HG2 VAL 90 HG23 VAL 90 -6.814 -18.721 -9.650 671 H GLU 91 HN GLU 91 -5.577 -22.780 -10.232 672 HA GLU 91 HA GLU 91 -5.814 -24.101 -7.623 673 1HB GLU 91 HB2 GLU 91 -4.994 -25.411 -9.589 674 2HB GLU 91 HB1 GLU 91 -3.627 -24.311 -9.715 675 1HG GLU 91 HG2 GLU 91 -2.878 -24.992 -7.485 676 2HG GLU 91 HG1 GLU 91 -4.245 -26.099 -7.370 677 H PHE 92 HN PHE 92 -4.509 -23.507 -5.902 678 HA PHE 92 HA PHE 92 -2.482 -21.466 -6.238 679 1HB PHE 92 HB2 PHE 92 -3.558 -19.815 -4.796 680 2HB PHE 92 HB1 PHE 92 -4.539 -20.125 -6.221 681 HD1 PHE 92 HD2 PHE 92 -6.521 -21.739 -5.971 682 HD2 PHE 92 HD1 PHE 92 -4.483 -20.003 -2.655 683 HE1 PHE 92 HE2 PHE 92 -8.470 -22.182 -4.540 684 HE2 PHE 92 HE1 PHE 92 -6.433 -20.443 -1.223 685 HZ PHE 92 HZ PHE 92 -8.431 -21.533 -2.166 686 H ILE 93 HN ILE 93 -1.832 -20.665 -3.953 687 HA ILE 93 HA ILE 93 -2.019 -22.785 -1.930 688 HB ILE 93 HB ILE 93 0.516 -21.349 -2.784 689 1HG1 ILE 93 HG12 ILE 93 -0.198 -24.298 -2.757 690 2HG1 ILE 93 HG11 ILE 93 -0.079 -23.289 -4.192 691 1HG2 ILE 93 HG21 ILE 93 1.642 -22.582 -0.979 692 2HG2 ILE 93 HG22 ILE 93 0.085 -23.215 -0.442 693 3HG2 ILE 93 HG23 ILE 93 0.413 -21.485 -0.351 694 1HD1 ILE 93 HD11 ILE 93 2.304 -22.962 -3.752 695 2HD1 ILE 93 HD12 ILE 93 1.889 -24.666 -3.930 696 3HD1 ILE 93 HD13 ILE 93 2.174 -23.992 -2.325 697 H ALA 94 HN ALA 94 -3.048 -21.853 -0.280 698 HA ALA 94 HA ALA 94 -2.762 -18.989 0.225 699 1HB ALA 94 HB1 ALA 94 -4.602 -19.301 1.818 700 2HB ALA 94 HB2 ALA 94 -4.557 -21.041 1.533 701 3HB ALA 94 HB3 ALA 94 -5.012 -19.946 0.229 702 H ARG 95 HN ARG 95 -1.109 -18.364 1.464 703 HA ARG 95 HA ARG 95 -0.115 -20.132 3.580 704 1HB ARG 95 HB2 ARG 95 1.579 -19.141 2.115 705 2HB ARG 95 HB1 ARG 95 1.001 -17.525 2.506 706 1HG ARG 95 HG2 ARG 95 1.652 -17.874 4.858 707 2HG ARG 95 HG1 ARG 95 2.262 -19.475 4.439 708 1HD ARG 95 HD2 ARG 95 3.886 -18.453 2.911 709 2HD ARG 95 HD1 ARG 95 3.271 -16.854 3.330 710 HE ARG 95 HE ARG 95 3.974 -17.576 5.714 711 1HH1 ARG 95 HH11 ARG 95 5.685 -18.450 2.776 712 2HH1 ARG 95 HH12 ARG 95 7.240 -18.464 3.543 713 1HH2 ARG 95 HH21 ARG 95 6.022 -17.607 6.711 714 2HH2 ARG 95 HH22 ARG 95 7.430 -17.995 5.769 715 H PHE 96 HN PHE 96 -0.775 -19.884 5.576 716 HA PHE 96 HA PHE 96 -1.526 -17.258 6.604 717 1HB PHE 96 HB2 PHE 96 -3.587 -18.438 7.669 718 2HB PHE 96 HB1 PHE 96 -3.686 -17.937 5.985 719 HD1 PHE 96 HD1 PHE 96 -2.651 -20.937 7.986 720 HD2 PHE 96 HD2 PHE 96 -4.558 -19.441 4.479 721 HE1 PHE 96 HE1 PHE 96 -3.230 -23.233 7.322 722 HE2 PHE 96 HE2 PHE 96 -5.145 -21.736 3.819 723 HZ PHE 96 HZ PHE 96 -4.483 -23.635 5.241 724 H ARG 97 HN ARG 97 -1.490 -17.159 8.915 725 HA ARG 97 HA ARG 97 0.148 -19.232 10.152 726 1HB ARG 97 HB2 ARG 97 0.615 -16.785 10.528 727 2HB ARG 97 HB1 ARG 97 -0.920 -16.673 11.381 728 1HG ARG 97 HG2 ARG 97 -0.090 -18.367 13.001 729 2HG ARG 97 HG1 ARG 97 1.469 -18.338 12.174 730 1HD ARG 97 HD2 ARG 97 1.550 -16.913 14.130 731 2HD ARG 97 HD1 ARG 97 1.660 -15.929 12.671 732 HE ARG 97 HE ARG 97 -0.915 -16.273 14.061 733 1HH1 ARG 97 HH11 ARG 97 1.626 -14.194 12.829 734 2HH1 ARG 97 HH12 ARG 97 0.766 -12.728 13.191 735 1HH2 ARG 97 HH21 ARG 97 -2.041 -14.339 14.524 736 2HH2 ARG 97 HH22 ARG 97 -1.316 -12.811 14.140 737 H ARG 98 HN ARG 98 -0.928 -20.960 10.854 738 HA ARG 98 HA ARG 98 -3.764 -20.901 11.237 739 1HB ARG 98 HB2 ARG 98 -2.498 -22.854 10.300 740 2HB ARG 98 HB1 ARG 98 -1.832 -23.136 11.904 741 1HG ARG 98 HG2 ARG 98 -4.098 -23.505 12.775 742 2HG ARG 98 HG1 ARG 98 -4.756 -23.231 11.160 743 1HD ARG 98 HD2 ARG 98 -3.400 -25.153 10.345 744 2HD ARG 98 HD1 ARG 98 -2.902 -25.459 12.010 745 HE ARG 98 HE ARG 98 -5.766 -25.390 11.483 746 1HH1 ARG 98 HH11 ARG 98 -2.901 -27.328 12.032 747 2HH1 ARG 98 HH12 ARG 98 -3.795 -28.782 12.343 748 1HH2 ARG 98 HH21 ARG 98 -6.939 -27.301 11.910 749 2HH2 ARG 98 HH22 ARG 98 -6.084 -28.761 12.295 750 H GLY 99 HN GLY 99 -4.929 -21.204 13.137 751 1HA GLY 99 HA2 GLY 99 -3.982 -19.929 15.452 752 2HA GLY 99 HA1 GLY 99 -5.438 -20.910 15.349 753 H GLY 100 HN GLY 100 -1.971 -20.996 15.859 754 1HA GLY 100 HA2 GLY 100 -2.042 -22.940 17.882 755 2HA GLY 100 HA1 GLY 100 -1.682 -23.745 16.359 756 H GLY 101 HN GLY 101 -0.196 -21.594 15.174 757 1HA GLY 101 HA2 GLY 101 1.759 -20.353 16.545 758 2HA GLY 101 HA1 GLY 101 2.325 -22.012 16.555 759 HA PRO 102 HA PRO 102 4.250 -21.519 12.726 760 1HB PRO 102 HB2 PRO 102 3.796 -23.772 11.316 761 2HB PRO 102 HB1 PRO 102 4.695 -23.783 12.838 762 1HG PRO 102 HG2 PRO 102 1.824 -24.488 12.332 763 2HG PRO 102 HG1 PRO 102 3.022 -25.329 13.334 764 1HD PRO 102 HD2 PRO 102 1.135 -23.628 14.352 765 2HD PRO 102 HD1 PRO 102 2.714 -23.903 15.115 766 H GLU 103 HN GLU 103 4.207 -21.040 10.514 767 HA GLU 103 HA GLU 103 1.669 -20.147 9.442 768 1HB GLU 103 HB2 GLU 103 4.467 -20.091 8.275 769 2HB GLU 103 HB1 GLU 103 3.056 -19.330 7.550 770 1HG GLU 103 HG2 GLU 103 2.871 -17.781 9.354 771 2HG GLU 103 HG1 GLU 103 4.102 -18.636 10.283 772 H GLN 104 HN GLN 104 0.384 -21.567 8.470 773 HA GLN 104 HA GLN 104 1.567 -23.885 7.107 774 1HB GLN 104 HB2 GLN 104 -0.072 -24.461 8.795 775 2HB GLN 104 HB1 GLN 104 -1.256 -23.381 8.074 776 1HG GLN 104 HG2 GLN 104 -1.443 -24.776 6.131 777 2HG GLN 104 HG1 GLN 104 -0.109 -25.790 6.673 778 1HE2 GLN 104 HE21 GLN 104 -0.945 -25.898 9.431 779 2HE2 GLN 104 HE22 GLN 104 -2.336 -26.923 9.482 780 H SER 105 HN SER 105 1.143 -24.321 4.997 781 HA SER 105 HA SER 105 -0.280 -22.249 3.457 782 1HB SER 105 HB2 SER 105 1.314 -22.759 1.595 783 2HB SER 105 HB1 SER 105 2.108 -22.081 3.015 784 HG SER 105 HG SER 105 2.108 -24.748 2.079 785 H HIS 106 HN HIS 106 -2.100 -23.056 2.650 786 HA HIS 106 HA HIS 106 -2.324 -25.955 2.267 787 1HB HIS 106 HB2 HIS 106 -4.039 -24.655 3.631 788 2HB HIS 106 HB1 HIS 106 -4.556 -23.913 2.121 789 HD1 HIS 106 HD1 HIS 106 -6.726 -24.980 1.554 790 HD2 HIS 106 HD2 HIS 106 -3.944 -27.757 2.895 791 HE1 HIS 106 HE1 HIS 106 -7.859 -27.214 1.366 792 HE2 HIS 106 HE2 HIS 106 -6.117 -28.890 2.077 793 H HIS 107 HN HIS 107 -2.012 -26.734 0.308 794 HA HIS 107 HA HIS 107 -2.366 -24.991 -2.032 795 1HB HIS 107 HB2 HIS 107 -0.169 -25.995 -1.877 796 2HB HIS 107 HB1 HIS 107 -0.862 -27.593 -1.656 797 HD1 HIS 107 HD1 HIS 107 0.520 -28.407 -3.708 798 HD2 HIS 107 HD2 HIS 107 -2.309 -25.491 -4.586 799 HE1 HIS 107 HE1 HIS 107 0.312 -28.404 -6.209 800 HE2 HIS 107 HE2 HIS 107 -1.287 -26.533 -6.723 801 H GLU 108 HN GLU 108 -4.458 -25.093 -2.603 802 HA GLU 108 HA GLU 108 -5.571 -27.758 -3.188 803 1HB GLU 108 HB2 GLU 108 -7.770 -27.037 -2.504 804 2HB GLU 108 HB1 GLU 108 -6.655 -26.798 -1.170 805 1HG GLU 108 HG2 GLU 108 -7.437 -24.572 -3.039 806 2HG GLU 108 HG1 GLU 108 -8.371 -24.975 -1.601 807 H ARG 109 HN ARG 109 -7.782 -27.195 -4.496 808 HA ARG 109 HA ARG 109 -7.111 -25.347 -6.674 809 1HB ARG 109 HB2 ARG 109 -6.396 -27.781 -7.115 810 2HB ARG 109 HB1 ARG 109 -8.105 -28.162 -7.176 811 1HG ARG 109 HG2 ARG 109 -8.402 -26.700 -9.072 812 2HG ARG 109 HG1 ARG 109 -6.723 -26.169 -8.957 813 1HD ARG 109 HD2 ARG 109 -5.930 -28.382 -9.505 814 2HD ARG 109 HD1 ARG 109 -7.574 -29.019 -9.474 815 HE ARG 109 HE ARG 109 -8.043 -27.715 -11.458 816 1HH1 ARG 109 HH11 ARG 109 -4.644 -28.012 -10.617 817 2HH1 ARG 109 HH12 ARG 109 -4.099 -27.772 -12.249 818 1HH2 ARG 109 HH21 ARG 109 -7.298 -27.384 -13.607 819 2HH2 ARG 109 HH22 ARG 109 -5.591 -27.421 -13.930 820 H SER 110 HN SER 110 -8.775 -23.955 -6.516 821 HA SER 110 HA SER 110 -11.369 -24.895 -5.567 822 1HB SER 110 HB2 SER 110 -11.866 -22.430 -5.409 823 2HB SER 110 HB1 SER 110 -10.498 -22.961 -4.431 824 HG SER 110 HG SER 110 -9.701 -22.248 -6.921 825 H GLN 111 HN GLN 111 -13.120 -25.086 -6.793 826 HA GLN 111 HA GLN 111 -12.964 -24.326 -9.614 827 1HB GLN 111 HB2 GLN 111 -14.899 -26.123 -8.133 828 2HB GLN 111 HB1 GLN 111 -15.026 -25.735 -9.843 829 1HG GLN 111 HG2 GLN 111 -14.007 -27.877 -9.627 830 2HG GLN 111 HG1 GLN 111 -12.790 -26.741 -10.195 831 1HE2 GLN 111 HE21 GLN 111 -11.064 -27.961 -9.463 832 2HE2 GLN 111 HE22 GLN 111 -10.703 -28.147 -7.783 833 H PHE 112 HN PHE 112 -14.259 -22.881 -10.526 834 HA PHE 112 HA PHE 112 -16.164 -21.427 -8.814 835 1HB PHE 112 HB2 PHE 112 -14.175 -20.349 -10.824 836 2HB PHE 112 HB1 PHE 112 -15.546 -19.404 -10.254 837 HD1 PHE 112 HD1 PHE 112 -12.453 -21.132 -9.145 838 HD2 PHE 112 HD2 PHE 112 -15.465 -18.272 -8.193 839 HE1 PHE 112 HE1 PHE 112 -11.146 -20.399 -7.195 840 HE2 PHE 112 HE2 PHE 112 -14.158 -17.541 -6.244 841 HZ PHE 112 HZ PHE 112 -11.995 -18.604 -5.743 842 H ARG 113 HN ARG 113 -17.848 -20.323 -9.983 843 HA ARG 113 HA ARG 113 -18.664 -21.709 -12.452 844 1HB ARG 113 HB2 ARG 113 -19.936 -22.555 -10.583 845 2HB ARG 113 HB1 ARG 113 -20.286 -20.929 -10.023 846 1HG ARG 113 HG2 ARG 113 -21.735 -20.533 -11.906 847 2HG ARG 113 HG1 ARG 113 -21.290 -22.088 -12.625 848 1HD ARG 113 HD2 ARG 113 -22.241 -23.262 -10.718 849 2HD ARG 113 HD1 ARG 113 -22.615 -21.731 -9.933 850 HE ARG 113 HE ARG 113 -23.882 -21.910 -12.471 851 1HH1 ARG 113 HH11 ARG 113 -24.033 -23.000 -9.151 852 2HH1 ARG 113 HH12 ARG 113 -25.729 -23.371 -9.199 853 1HH2 ARG 113 HH21 ARG 113 -26.144 -22.368 -12.547 854 2HH2 ARG 113 HH22 ARG 113 -26.934 -22.997 -11.134 855 H LYS 114 HN LYS 114 -19.668 -20.457 -13.999 856 HA LYS 114 HA LYS 114 -19.406 -17.553 -13.596 857 1HB LYS 114 HB2 LYS 114 -18.093 -18.815 -15.414 858 2HB LYS 114 HB1 LYS 114 -19.635 -18.953 -16.251 859 1HG LYS 114 HG2 LYS 114 -19.837 -16.554 -16.383 860 2HG LYS 114 HG1 LYS 114 -18.399 -16.343 -15.380 861 1HD LYS 114 HD2 LYS 114 -17.154 -17.645 -17.204 862 2HD LYS 114 HD1 LYS 114 -18.581 -17.362 -18.207 863 1HE LYS 114 HE2 LYS 114 -18.320 -14.933 -17.818 864 2HE LYS 114 HE1 LYS 114 -16.851 -15.258 -16.903 865 1HZ LYS 114 HZ1 LYS 114 -15.840 -16.195 -18.869 866 2HZ LYS 114 HZ2 LYS 114 -16.393 -14.632 -19.210 867 3HZ LYS 114 HZ3 LYS 114 -17.263 -15.970 -19.757 868 H ALA 115 HN ALA 115 -21.256 -16.587 -13.169 869 HA ALA 115 HA ALA 115 -23.647 -17.287 -14.733 870 1HB ALA 115 HB1 ALA 115 -23.878 -18.344 -12.526 871 2HB ALA 115 HB2 ALA 115 -25.059 -17.053 -12.749 872 3HB ALA 115 HB3 ALA 115 -23.630 -16.780 -11.750 873 H ARG 116 HN ARG 116 -24.598 -15.551 -15.598 874 HA ARG 116 HA ARG 116 -25.057 -13.406 -16.180 875 1HB ARG 116 HB2 ARG 116 -25.489 -13.495 -13.492 876 2HB ARG 116 HB1 ARG 116 -24.248 -12.255 -13.554 877 1HG ARG 116 HG2 ARG 116 -26.819 -12.163 -15.131 878 2HG ARG 116 HG1 ARG 116 -26.586 -11.396 -13.563 879 1HD ARG 116 HD2 ARG 116 -24.783 -10.025 -14.514 880 2HD ARG 116 HD1 ARG 116 -25.040 -10.786 -16.085 881 HE ARG 116 HE ARG 116 -27.483 -9.738 -15.270 882 1HH1 ARG 116 HH11 ARG 116 -24.304 -8.548 -16.136 883 2HH1 ARG 116 HH12 ARG 116 -24.897 -7.017 -16.698 884 1HH2 ARG 116 HH21 ARG 116 -28.259 -7.737 -16.052 885 2HH2 ARG 116 HH22 ARG 116 -27.130 -6.560 -16.651 886 H GLY 117 HN GLY 117 -22.276 -14.600 -16.164 887 1HA GLY 117 HA2 GLY 117 -20.332 -13.840 -17.204 888 2HA GLY 117 HA1 GLY 117 -20.863 -12.184 -16.959 889 H ARG 118 HN ARG 118 -21.360 -13.276 -14.025 890 HA ARG 118 HA ARG 118 -18.699 -12.486 -13.098 891 1HB ARG 118 HB2 ARG 118 -21.328 -12.779 -11.615 892 2HB ARG 118 HB1 ARG 118 -19.805 -12.401 -10.827 893 1HG ARG 118 HG2 ARG 118 -20.904 -10.345 -11.074 894 2HG ARG 118 HG1 ARG 118 -19.680 -10.366 -12.343 895 1HD ARG 118 HD2 ARG 118 -21.413 -11.080 -13.955 896 2HD ARG 118 HD1 ARG 118 -22.621 -10.969 -12.675 897 HE ARG 118 HE ARG 118 -21.088 -8.678 -13.740 898 1HH1 ARG 118 HH11 ARG 118 -23.964 -9.992 -12.228 899 2HH1 ARG 118 HH12 ARG 118 -24.857 -8.507 -12.353 900 1HH2 ARG 118 HH21 ARG 118 -22.270 -6.721 -13.887 901 2HH2 ARG 118 HH22 ARG 118 -23.890 -6.654 -13.264 902 H TRP 119 HN TRP 119 -17.682 -13.682 -11.359 903 HA TRP 119 HA TRP 119 -18.117 -16.566 -11.684 904 1HB TRP 119 HB2 TRP 119 -15.667 -14.940 -11.016 905 2HB TRP 119 HB1 TRP 119 -15.726 -16.685 -10.770 906 HD1 TRP 119 HD1 TRP 119 -15.674 -14.066 -13.583 907 HE1 TRP 119 HE1 TRP 119 -15.109 -15.267 -15.789 908 HE3 TRP 119 HE3 TRP 119 -15.908 -18.885 -11.945 909 HZ2 TRP 119 HZ2 TRP 119 -14.824 -17.920 -16.709 910 HZ3 TRP 119 HZ3 TRP 119 -15.493 -20.702 -13.548 911 HH2 TRP 119 HH2 TRP 119 -14.962 -20.229 -15.883 912 H TYR 120 HN TYR 120 -18.345 -17.902 -9.985 913 HA TYR 120 HA TYR 120 -18.505 -16.742 -7.283 914 1HB TYR 120 HB2 TYR 120 -20.524 -18.636 -8.531 915 2HB TYR 120 HB1 TYR 120 -20.568 -18.021 -6.883 916 HD1 TYR 120 HD2 TYR 120 -21.083 -17.177 -10.426 917 HD2 TYR 120 HD1 TYR 120 -21.314 -15.762 -6.414 918 HE1 TYR 120 HE2 TYR 120 -22.416 -15.257 -11.184 919 HE2 TYR 120 HE1 TYR 120 -22.652 -13.842 -7.166 920 HH TYR 120 HH TYR 120 -24.080 -13.679 -10.210 921 H PHE 121 HN PHE 121 -17.812 -18.088 -5.653 922 HA PHE 121 HA PHE 121 -16.205 -20.343 -6.324 923 1HB PHE 121 HB2 PHE 121 -15.518 -19.073 -4.440 924 2HB PHE 121 HB1 PHE 121 -17.119 -19.134 -3.712 925 HD1 PHE 121 HD1 PHE 121 -14.150 -21.204 -4.545 926 HD2 PHE 121 HD2 PHE 121 -17.702 -20.842 -2.220 927 HE1 PHE 121 HE1 PHE 121 -13.485 -23.167 -3.222 928 HE2 PHE 121 HE2 PHE 121 -17.043 -22.798 -0.897 929 HZ PHE 121 HZ PHE 121 -14.930 -23.967 -1.392 930 H SER 122 HN SER 122 -16.936 -22.332 -6.779 931 HA SER 122 HA SER 122 -19.592 -23.131 -5.827 932 1HB SER 122 HB2 SER 122 -17.798 -24.368 -7.934 933 2HB SER 122 HB1 SER 122 -19.409 -24.946 -7.507 934 HG SER 122 HG SER 122 -20.229 -22.908 -8.168 935 H GLU 123 HN GLU 123 -16.274 -24.440 -6.028 936 HA GLU 123 HA GLU 123 -16.599 -25.872 -3.556 937 1HB GLU 123 HB2 GLU 123 -16.230 -28.122 -4.555 938 2HB GLU 123 HB1 GLU 123 -17.777 -27.416 -5.003 939 1HG GLU 123 HG2 GLU 123 -16.785 -26.722 -7.167 940 2HG GLU 123 HG1 GLU 123 -15.299 -27.555 -6.715 941 H GLY 124 HN GLY 124 -14.610 -27.462 -3.363 942 1HA GLY 124 HA2 GLY 124 -12.230 -26.544 -4.745 943 2HA GLY 124 HA1 GLY 124 -12.307 -26.128 -3.036 944 H GLU 125 HN GLU 125 -10.739 -28.118 -4.849 945 HA GLU 125 HA GLU 125 -10.982 -30.398 -2.991 946 1HB GLU 125 HB2 GLU 125 -10.377 -31.899 -4.850 947 2HB GLU 125 HB1 GLU 125 -11.885 -31.048 -5.160 948 1HG GLU 125 HG2 GLU 125 -10.629 -29.440 -6.572 949 2HG GLU 125 HG1 GLU 125 -9.182 -30.420 -6.340 950 H ALA 126 HN ALA 126 -9.018 -31.535 -2.563 951 HA ALA 126 HA ALA 126 -6.731 -29.790 -2.414 952 1HB ALA 126 HB1 ALA 126 -7.307 -31.283 -0.553 953 2HB ALA 126 HB2 ALA 126 -5.687 -31.619 -1.165 954 3HB ALA 126 HB3 ALA 126 -7.028 -32.684 -1.588 955 H VAL 127 HN VAL 127 -5.083 -29.701 -3.826 956 HA VAL 127 HA VAL 127 -5.101 -31.144 -6.253 957 HB VAL 127 HB VAL 127 -2.828 -29.582 -4.997 958 1HG1 VAL 127 HG11 VAL 127 -3.205 -30.527 -7.844 959 2HG1 VAL 127 HG12 VAL 127 -1.990 -31.106 -6.704 960 3HG1 VAL 127 HG13 VAL 127 -1.927 -29.444 -7.289 961 1HG2 VAL 127 HG21 VAL 127 -4.830 -28.736 -7.078 962 2HG2 VAL 127 HG22 VAL 127 -3.541 -27.747 -6.391 963 3HG2 VAL 127 HG23 VAL 127 -4.883 -28.277 -5.376 964 H ASP 128 HN ASP 128 -4.801 -33.267 -6.319 965 HA ASP 128 HA ASP 128 -2.418 -34.382 -5.016 966 1HB ASP 128 HB2 ASP 128 -4.464 -34.898 -3.662 967 2HB ASP 128 HB1 ASP 128 -5.125 -35.746 -5.058 Start of MODEL 16 1 1H MET 1 HT1 MET 1 0.270 -0.754 1.102 2 2H MET 1 HT2 MET 1 -0.926 0.263 0.483 3 3H MET 1 HT3 MET 1 0.330 0.906 1.415 4 HA MET 1 HA MET 1 0.682 1.376 -0.908 5 1HB MET 1 HB2 MET 1 2.595 -0.703 0.196 6 2HB MET 1 HB1 MET 1 2.953 0.395 -1.129 7 1HG MET 1 HG2 MET 1 2.674 2.303 0.387 8 2HG MET 1 HG1 MET 1 2.352 1.189 1.715 9 1HE MET 1 HE1 MET 1 5.914 2.600 2.570 10 2HE MET 1 HE2 MET 1 4.270 2.356 3.158 11 3HE MET 1 HE3 MET 1 4.573 3.473 1.828 12 H ASN 2 HN ASN 2 1.286 -2.128 -0.511 13 HA ASN 2 HA ASN 2 0.198 -2.558 -3.214 14 1HB ASN 2 HB2 ASN 2 1.366 -4.691 -3.200 15 2HB ASN 2 HB1 ASN 2 2.493 -3.417 -2.751 16 1HD2 ASN 2 HD21 ASN 2 2.641 -6.267 -2.233 17 2HD2 ASN 2 HD22 ASN 2 2.736 -6.448 -0.515 18 H CYS 3 HN CYS 3 -0.896 -4.855 -3.375 19 HA CYS 3 HA CYS 3 -3.135 -4.747 -1.528 20 1HB CYS 3 HB2 CYS 3 -3.350 -5.126 -4.048 21 2HB CYS 3 HB1 CYS 3 -2.752 -6.760 -3.748 22 H VAL 4 HN VAL 4 -3.783 -6.397 -0.136 23 HA VAL 4 HA VAL 4 -1.729 -8.206 0.789 24 HB VAL 4 HB VAL 4 -3.383 -8.924 2.467 25 1HG1 VAL 4 HG11 VAL 4 -3.196 -5.929 2.128 26 2HG1 VAL 4 HG12 VAL 4 -2.032 -6.971 2.948 27 3HG1 VAL 4 HG13 VAL 4 -3.650 -6.758 3.617 28 1HG2 VAL 4 HG21 VAL 4 -5.409 -8.839 1.143 29 2HG2 VAL 4 HG22 VAL 4 -5.276 -7.085 0.990 30 3HG2 VAL 4 HG23 VAL 4 -5.597 -7.811 2.566 31 H CYS 5 HN CYS 5 -2.252 -8.805 -1.820 32 HA CYS 5 HA CYS 5 -2.853 -11.564 -1.672 33 1HB CYS 5 HB2 CYS 5 -4.923 -11.765 -2.623 34 2HB CYS 5 HB1 CYS 5 -5.161 -10.180 -1.901 35 H GLY 6 HN GLY 6 -1.777 -12.605 -3.263 36 1HA GLY 6 HA2 GLY 6 0.168 -11.305 -4.743 37 2HA GLY 6 HA1 GLY 6 -0.380 -12.945 -5.038 38 H SER 7 HN SER 7 -0.930 -9.563 -5.833 39 HA SER 7 HA SER 7 -1.846 -10.426 -8.501 40 1HB SER 7 HB2 SER 7 -2.940 -8.062 -6.948 41 2HB SER 7 HB1 SER 7 -3.443 -8.576 -8.558 42 HG SER 7 HG SER 7 -3.910 -10.670 -7.408 43 H GLY 8 HN GLY 8 0.367 -8.661 -6.677 44 1HA GLY 8 HA2 GLY 8 2.006 -7.141 -7.202 45 2HA GLY 8 HA1 GLY 8 1.715 -7.540 -8.890 46 H LYS 9 HN LYS 9 -0.809 -6.340 -6.840 47 HA LYS 9 HA LYS 9 -0.841 -3.784 -8.320 48 1HB LYS 9 HB2 LYS 9 -3.185 -5.613 -7.734 49 2HB LYS 9 HB1 LYS 9 -3.321 -4.006 -8.432 50 1HG LYS 9 HG2 LYS 9 -1.693 -6.151 -9.759 51 2HG LYS 9 HG1 LYS 9 -3.438 -6.050 -9.985 52 1HD LYS 9 HD2 LYS 9 -1.510 -3.796 -10.549 53 2HD LYS 9 HD1 LYS 9 -2.118 -4.918 -11.765 54 1HE LYS 9 HE2 LYS 9 -4.429 -4.190 -11.202 55 2HE LYS 9 HE1 LYS 9 -3.743 -2.985 -10.112 56 1HZ LYS 9 HZ1 LYS 9 -2.665 -1.926 -11.964 57 2HZ LYS 9 HZ2 LYS 9 -4.313 -2.086 -12.311 58 3HZ LYS 9 HZ3 LYS 9 -3.193 -3.134 -13.024 59 H THR 10 HN THR 10 -2.271 -2.163 -7.259 60 HA THR 10 HA THR 10 -1.805 -2.000 -4.434 61 HB THR 10 HB THR 10 -3.002 0.134 -4.563 62 HG1 THR 10 HG1 THR 10 -3.675 0.612 -6.933 63 1HG2 THR 10 HG21 THR 10 -1.628 1.286 -6.239 64 2HG2 THR 10 HG22 THR 10 -1.216 -0.262 -6.974 65 3HG2 THR 10 HG23 THR 10 -0.670 0.110 -5.339 66 H TYR 11 HN TYR 11 -3.976 -1.032 -3.238 67 HA TYR 11 HA TYR 11 -5.872 -3.178 -3.099 68 1HB TYR 11 HB2 TYR 11 -5.384 -1.949 -1.072 69 2HB TYR 11 HB1 TYR 11 -5.811 -0.421 -1.835 70 HD1 TYR 11 HD2 TYR 11 -7.238 -3.679 -0.730 71 HD2 TYR 11 HD1 TYR 11 -8.030 0.384 -1.736 72 HE1 TYR 11 HE2 TYR 11 -9.548 -3.935 0.067 73 HE2 TYR 11 HE1 TYR 11 -10.342 0.134 -0.941 74 HH TYR 11 HH TYR 11 -11.987 -1.725 -0.617 75 H ASP 12 HN ASP 12 -6.020 0.224 -4.068 76 HA ASP 12 HA ASP 12 -8.709 0.329 -4.797 77 1HB ASP 12 HB2 ASP 12 -6.439 1.970 -5.954 78 2HB ASP 12 HB1 ASP 12 -8.144 2.408 -5.942 79 H ASP 13 HN ASP 13 -5.844 -0.297 -6.788 80 HA ASP 13 HA ASP 13 -7.271 -0.496 -9.249 81 1HB ASP 13 HB2 ASP 13 -4.501 -1.332 -8.388 82 2HB ASP 13 HB1 ASP 13 -5.104 -1.686 -10.001 83 H CYS 14 HN CYS 14 -6.259 -2.811 -6.811 84 HA CYS 14 HA CYS 14 -6.832 -5.056 -8.567 85 1HB CYS 14 HB2 CYS 14 -4.815 -5.150 -7.258 86 2HB CYS 14 HB1 CYS 14 -5.712 -4.927 -5.767 87 H CYS 15 HN CYS 15 -7.507 -5.178 -5.096 88 HA CYS 15 HA CYS 15 -9.935 -6.612 -5.631 89 1HB CYS 15 HB2 CYS 15 -8.573 -5.833 -3.055 90 2HB CYS 15 HB1 CYS 15 -10.104 -6.701 -3.102 91 H GLY 16 HN GLY 16 -9.215 -3.317 -5.134 92 1HA GLY 16 HA2 GLY 16 -11.267 -2.388 -3.536 93 2HA GLY 16 HA1 GLY 16 -10.509 -1.458 -4.814 94 HA PRO 17 HA PRO 17 -14.104 -1.554 -7.382 95 1HB PRO 17 HB2 PRO 17 -13.601 -3.082 -9.617 96 2HB PRO 17 HB1 PRO 17 -12.998 -1.440 -9.383 97 1HG PRO 17 HG2 PRO 17 -11.604 -4.054 -8.938 98 2HG PRO 17 HG1 PRO 17 -10.985 -2.569 -9.685 99 1HD PRO 17 HD2 PRO 17 -10.377 -3.228 -7.153 100 2HD PRO 17 HD1 PRO 17 -10.630 -1.538 -7.635 101 H LEU 18 HN LEU 18 -12.819 -4.744 -6.746 102 HA LEU 18 HA LEU 18 -15.252 -6.169 -7.295 103 1HB LEU 18 HB2 LEU 18 -12.713 -6.919 -5.837 104 2HB LEU 18 HB1 LEU 18 -14.072 -8.014 -5.978 105 HG LEU 18 HG LEU 18 -12.432 -8.605 -7.627 106 1HD1 LEU 18 HD11 LEU 18 -14.767 -8.829 -8.286 107 2HD1 LEU 18 HD12 LEU 18 -13.744 -8.458 -9.672 108 3HD1 LEU 18 HD13 LEU 18 -14.745 -7.196 -8.955 109 1HD2 LEU 18 HD21 LEU 18 -11.703 -7.072 -9.390 110 2HD2 LEU 18 HD22 LEU 18 -11.241 -6.485 -7.793 111 3HD2 LEU 18 HD23 LEU 18 -12.613 -5.762 -8.635 112 H LEU 19 HN LEU 19 -13.526 -5.186 -4.370 113 HA LEU 19 HA LEU 19 -15.461 -6.065 -2.514 114 1HB LEU 19 HB2 LEU 19 -13.100 -4.219 -2.425 115 2HB LEU 19 HB1 LEU 19 -14.184 -4.294 -1.043 116 HG LEU 19 HG LEU 19 -12.807 -6.729 -2.196 117 1HD1 LEU 19 HD11 LEU 19 -11.205 -6.541 -0.362 118 2HD1 LEU 19 HD12 LEU 19 -11.936 -5.015 0.135 119 3HD1 LEU 19 HD13 LEU 19 -11.117 -5.135 -1.423 120 1HD2 LEU 19 HD21 LEU 19 -14.161 -6.239 0.459 121 2HD2 LEU 19 HD22 LEU 19 -13.361 -7.731 -0.036 122 3HD2 LEU 19 HD23 LEU 19 -14.812 -7.189 -0.877 123 H ALA 20 HN ALA 20 -15.118 -3.171 -4.404 124 HA ALA 20 HA ALA 20 -17.039 -1.599 -2.991 125 1HB ALA 20 HB1 ALA 20 -15.334 -0.592 -4.447 126 2HB ALA 20 HB2 ALA 20 -16.964 -0.119 -4.928 127 3HB ALA 20 HB3 ALA 20 -16.092 -1.345 -5.850 128 H ARG 21 HN ARG 21 -17.282 -4.297 -5.006 129 HA ARG 21 HA ARG 21 -19.025 -5.481 -5.849 130 1HB ARG 21 HB2 ARG 21 -20.689 -3.566 -4.184 131 2HB ARG 21 HB1 ARG 21 -21.292 -5.044 -4.924 132 1HG ARG 21 HG2 ARG 21 -19.074 -4.967 -2.879 133 2HG ARG 21 HG1 ARG 21 -20.774 -5.233 -2.489 134 1HD ARG 21 HD2 ARG 21 -19.210 -6.963 -4.407 135 2HD ARG 21 HD1 ARG 21 -19.374 -7.317 -2.688 136 HE ARG 21 HE ARG 21 -21.766 -7.550 -3.039 137 1HH1 ARG 21 HH11 ARG 21 -19.780 -7.572 -5.929 138 2HH1 ARG 21 HH12 ARG 21 -20.955 -8.427 -6.876 139 1HH2 ARG 21 HH21 ARG 21 -23.287 -8.701 -4.274 140 2HH2 ARG 21 HH22 ARG 21 -22.942 -9.068 -5.940 141 H THR 22 HN THR 22 -17.990 -3.117 -7.243 142 HA THR 22 HA THR 22 -20.375 -2.277 -8.764 143 HB THR 22 HB THR 22 -19.188 -0.416 -7.668 144 HG1 THR 22 HG1 THR 22 -20.203 -0.028 -9.686 145 1HG2 THR 22 HG21 THR 22 -16.942 0.238 -8.415 146 2HG2 THR 22 HG22 THR 22 -16.841 -1.222 -9.399 147 3HG2 THR 22 HG23 THR 22 -16.923 -1.347 -7.642 148 H ARG 23 HN ARG 23 -17.289 -3.872 -8.974 149 HA ARG 23 HA ARG 23 -17.579 -4.017 -11.908 150 1HB ARG 23 HB2 ARG 23 -15.679 -2.601 -11.290 151 2HB ARG 23 HB1 ARG 23 -15.022 -3.892 -10.297 152 1HG ARG 23 HG2 ARG 23 -14.559 -5.240 -12.220 153 2HG ARG 23 HG1 ARG 23 -15.435 -4.129 -13.274 154 1HD ARG 23 HD2 ARG 23 -12.903 -3.491 -11.750 155 2HD ARG 23 HD1 ARG 23 -13.008 -3.841 -13.477 156 HE ARG 23 HE ARG 23 -14.743 -1.749 -13.038 157 1HH1 ARG 23 HH11 ARG 23 -11.312 -2.296 -12.589 158 2HH1 ARG 23 HH12 ARG 23 -10.888 -0.635 -12.860 159 1HH2 ARG 23 HH21 ARG 23 -14.187 0.431 -13.387 160 2HH2 ARG 23 HH22 ARG 23 -12.523 0.917 -13.299 161 H SER 24 HN SER 24 -17.513 -5.966 -12.821 162 HA SER 24 HA SER 24 -17.345 -8.318 -11.132 163 1HB SER 24 HB2 SER 24 -17.960 -9.485 -13.308 164 2HB SER 24 HB1 SER 24 -19.140 -8.314 -12.719 165 HG SER 24 HG SER 24 -17.152 -7.400 -14.466 166 H ALA 25 HN ALA 25 -15.662 -9.696 -11.057 167 HA ALA 25 HA ALA 25 -13.114 -9.001 -11.937 168 1HB ALA 25 HB1 ALA 25 -14.140 -11.750 -11.216 169 2HB ALA 25 HB2 ALA 25 -13.527 -10.543 -10.085 170 3HB ALA 25 HB3 ALA 25 -12.446 -11.259 -11.279 171 H ALA 26 HN ALA 26 -15.532 -11.098 -13.404 172 HA ALA 26 HA ALA 26 -15.766 -12.022 -15.458 173 1HB ALA 26 HB1 ALA 26 -14.871 -10.801 -17.372 174 2HB ALA 26 HB2 ALA 26 -13.824 -9.869 -16.301 175 3HB ALA 26 HB3 ALA 26 -15.576 -9.696 -16.192 176 H SER 27 HN SER 27 -13.428 -12.764 -13.638 177 HA SER 27 HA SER 27 -12.307 -14.748 -15.384 178 1HB SER 27 HB2 SER 27 -10.783 -12.890 -15.873 179 2HB SER 27 HB1 SER 27 -10.503 -12.637 -14.152 180 HG SER 27 HG SER 27 -9.058 -14.088 -15.667 181 HA PRO 28 HA PRO 28 -12.677 -16.962 -11.574 182 1HB PRO 28 HB2 PRO 28 -10.749 -18.909 -12.001 183 2HB PRO 28 HB1 PRO 28 -12.390 -18.959 -12.652 184 1HG PRO 28 HG2 PRO 28 -9.854 -18.080 -13.978 185 2HG PRO 28 HG1 PRO 28 -11.188 -19.046 -14.638 186 1HD PRO 28 HD2 PRO 28 -10.929 -16.439 -15.227 187 2HD PRO 28 HD1 PRO 28 -12.529 -17.177 -14.997 188 H GLU 29 HN GLU 29 -9.325 -16.392 -12.659 189 HA GLU 29 HA GLU 29 -8.186 -16.527 -10.062 190 1HB GLU 29 HB2 GLU 29 -6.213 -15.403 -11.156 191 2HB GLU 29 HB1 GLU 29 -6.744 -16.889 -11.930 192 1HG GLU 29 HG2 GLU 29 -7.832 -15.662 -13.682 193 2HG GLU 29 HG1 GLU 29 -7.506 -14.132 -12.871 194 H ALA 30 HN ALA 30 -9.280 -13.848 -12.098 195 HA ALA 30 HA ALA 30 -8.429 -11.739 -10.434 196 1HB ALA 30 HB1 ALA 30 -10.723 -11.764 -12.401 197 2HB ALA 30 HB2 ALA 30 -9.036 -11.434 -12.794 198 3HB ALA 30 HB3 ALA 30 -9.927 -10.332 -11.746 199 H LEU 31 HN LEU 31 -11.072 -13.918 -10.210 200 HA LEU 31 HA LEU 31 -12.507 -12.305 -8.254 201 1HB LEU 31 HB2 LEU 31 -13.579 -13.819 -10.020 202 2HB LEU 31 HB1 LEU 31 -13.034 -15.174 -9.057 203 HG LEU 31 HG LEU 31 -15.447 -14.531 -8.770 204 1HD1 LEU 31 HD11 LEU 31 -14.306 -15.886 -7.103 205 2HD1 LEU 31 HD12 LEU 31 -15.484 -14.809 -6.356 206 3HD1 LEU 31 HD13 LEU 31 -13.763 -14.428 -6.271 207 1HD2 LEU 31 HD21 LEU 31 -14.285 -12.136 -7.349 208 2HD2 LEU 31 HD22 LEU 31 -15.986 -12.602 -7.383 209 3HD2 LEU 31 HD23 LEU 31 -15.178 -12.111 -8.871 210 H MET 32 HN MET 32 -10.484 -15.173 -8.449 211 HA MET 32 HA MET 32 -10.919 -16.175 -5.870 212 1HB MET 32 HB2 MET 32 -9.813 -17.294 -7.925 213 2HB MET 32 HB1 MET 32 -8.327 -16.541 -7.365 214 1HG MET 32 HG2 MET 32 -10.022 -18.504 -5.827 215 2HG MET 32 HG1 MET 32 -8.479 -18.840 -6.605 216 1HE MET 32 HE1 MET 32 -6.709 -16.328 -5.918 217 2HE MET 32 HE2 MET 32 -6.148 -17.990 -5.729 218 3HE MET 32 HE3 MET 32 -5.957 -16.840 -4.406 219 H ARG 33 HN ARG 33 -8.241 -14.105 -7.078 220 HA ARG 33 HA ARG 33 -6.939 -14.036 -4.549 221 1HB ARG 33 HB2 ARG 33 -5.374 -12.613 -5.486 222 2HB ARG 33 HB1 ARG 33 -5.985 -13.438 -6.911 223 1HG ARG 33 HG2 ARG 33 -6.951 -10.736 -5.985 224 2HG ARG 33 HG1 ARG 33 -5.671 -10.979 -7.170 225 1HD ARG 33 HD2 ARG 33 -7.191 -12.043 -8.688 226 2HD ARG 33 HD1 ARG 33 -8.470 -12.053 -7.473 227 HE ARG 33 HE ARG 33 -8.967 -9.905 -8.028 228 1HH1 ARG 33 HH11 ARG 33 -5.739 -10.615 -9.202 229 2HH1 ARG 33 HH12 ARG 33 -5.591 -9.122 -10.074 230 1HH2 ARG 33 HH21 ARG 33 -8.774 -7.942 -9.185 231 2HH2 ARG 33 HH22 ARG 33 -7.310 -7.595 -10.051 232 H SER 34 HN SER 34 -9.624 -12.346 -5.840 233 HA SER 34 HA SER 34 -9.446 -10.037 -4.152 234 1HB SER 34 HB2 SER 34 -11.803 -11.106 -5.733 235 2HB SER 34 HB1 SER 34 -11.675 -9.495 -5.022 236 HG SER 34 HG SER 34 -10.980 -10.102 -7.402 237 H ARG 35 HN ARG 35 -11.320 -13.066 -4.116 238 HA ARG 35 HA ARG 35 -12.826 -12.484 -1.806 239 1HB ARG 35 HB2 ARG 35 -13.348 -14.841 -1.701 240 2HB ARG 35 HB1 ARG 35 -13.345 -14.347 -3.389 241 1HG ARG 35 HG2 ARG 35 -11.165 -15.329 -3.711 242 2HG ARG 35 HG1 ARG 35 -11.061 -15.739 -2.002 243 1HD ARG 35 HD2 ARG 35 -13.003 -17.234 -2.272 244 2HD ARG 35 HD1 ARG 35 -13.043 -16.844 -3.995 245 HE ARG 35 HE ARG 35 -10.490 -17.702 -3.569 246 1HH1 ARG 35 HH11 ARG 35 -13.643 -19.095 -2.958 247 2HH1 ARG 35 HH12 ARG 35 -13.100 -20.726 -3.161 248 1HH2 ARG 35 HH21 ARG 35 -9.774 -19.842 -3.847 249 2HH2 ARG 35 HH22 ARG 35 -10.893 -21.152 -3.687 250 H TYR 36 HN TYR 36 -9.627 -13.928 -2.251 251 HA TYR 36 HA TYR 36 -9.100 -14.728 0.368 252 1HB TYR 36 HB2 TYR 36 -7.553 -15.332 -1.371 253 2HB TYR 36 HB1 TYR 36 -7.253 -13.645 -1.776 254 HD1 TYR 36 HD1 TYR 36 -6.597 -16.297 0.722 255 HD2 TYR 36 HD2 TYR 36 -5.663 -12.339 -0.544 256 HE1 TYR 36 HE1 TYR 36 -4.675 -16.262 2.256 257 HE2 TYR 36 HE2 TYR 36 -3.745 -12.293 0.985 258 HH TYR 36 HH TYR 36 -2.893 -13.363 2.915 259 H ALA 37 HN ALA 37 -8.718 -11.578 -1.178 260 HA ALA 37 HA ALA 37 -7.494 -10.231 0.960 261 1HB ALA 37 HB1 ALA 37 -8.188 -8.174 -0.171 262 2HB ALA 37 HB2 ALA 37 -9.273 -9.104 -1.206 263 3HB ALA 37 HB3 ALA 37 -7.530 -9.342 -1.318 264 H ALA 38 HN ALA 38 -10.865 -10.876 0.191 265 HA ALA 38 HA ALA 38 -12.078 -9.139 2.030 266 1HB ALA 38 HB1 ALA 38 -13.079 -11.813 1.048 267 2HB ALA 38 HB2 ALA 38 -13.321 -10.261 0.247 268 3HB ALA 38 HB3 ALA 38 -14.054 -10.563 1.823 269 H TYR 39 HN TYR 39 -11.123 -12.552 2.372 270 HA TYR 39 HA TYR 39 -11.885 -12.806 5.083 271 1HB TYR 39 HB2 TYR 39 -10.454 -14.428 3.118 272 2HB TYR 39 HB1 TYR 39 -9.769 -14.598 4.730 273 HD1 TYR 39 HD2 TYR 39 -12.791 -15.091 2.685 274 HD2 TYR 39 HD1 TYR 39 -11.000 -15.693 6.499 275 HE1 TYR 39 HE2 TYR 39 -14.599 -16.643 3.287 276 HE2 TYR 39 HE1 TYR 39 -12.806 -17.244 7.110 277 HH TYR 39 HH TYR 39 -15.047 -17.778 6.506 278 H ALA 40 HN ALA 40 -8.861 -11.838 3.537 279 HA ALA 40 HA ALA 40 -7.299 -11.644 5.885 280 1HB ALA 40 HB1 ALA 40 -7.023 -10.103 3.298 281 2HB ALA 40 HB2 ALA 40 -6.323 -11.688 3.633 282 3HB ALA 40 HB3 ALA 40 -5.783 -10.276 4.541 283 H LEU 41 HN LEU 41 -9.637 -9.538 4.393 284 HA LEU 41 HA LEU 41 -9.059 -7.356 6.258 285 1HB LEU 41 HB2 LEU 41 -11.017 -7.540 3.959 286 2HB LEU 41 HB1 LEU 41 -10.768 -6.114 4.949 287 HG LEU 41 HG LEU 41 -8.683 -7.384 3.158 288 1HD1 LEU 41 HD11 LEU 41 -10.275 -4.843 2.803 289 2HD1 LEU 41 HD12 LEU 41 -10.450 -6.326 1.864 290 3HD1 LEU 41 HD13 LEU 41 -8.959 -5.391 1.763 291 1HD2 LEU 41 HD21 LEU 41 -8.586 -4.833 4.775 292 2HD2 LEU 41 HD22 LEU 41 -7.351 -5.385 3.642 293 3HD2 LEU 41 HD23 LEU 41 -7.681 -6.311 5.105 294 H LYS 42 HN LYS 42 -10.618 -10.138 6.502 295 HA LYS 42 HA LYS 42 -12.026 -10.970 8.052 296 1HB LYS 42 HB2 LYS 42 -11.548 -9.692 9.864 297 2HB LYS 42 HB1 LYS 42 -11.755 -8.181 9.000 298 1HG LYS 42 HG2 LYS 42 -14.215 -9.743 9.581 299 2HG LYS 42 HG1 LYS 42 -13.402 -8.979 10.948 300 1HD LYS 42 HD2 LYS 42 -14.292 -7.559 8.426 301 2HD LYS 42 HD1 LYS 42 -15.163 -7.546 9.962 302 1HE LYS 42 HE2 LYS 42 -13.283 -6.446 11.046 303 2HE LYS 42 HE1 LYS 42 -12.346 -6.524 9.554 304 1HZ LYS 42 HZ1 LYS 42 -14.924 -5.078 9.790 305 2HZ LYS 42 HZ2 LYS 42 -13.818 -5.012 8.513 306 3HZ LYS 42 HZ3 LYS 42 -13.417 -4.346 10.013 307 H ASP 43 HN ASP 43 -13.119 -8.411 5.964 308 HA ASP 43 HA ASP 43 -15.907 -8.768 6.402 309 1HB ASP 43 HB2 ASP 43 -14.379 -7.530 4.107 310 2HB ASP 43 HB1 ASP 43 -16.136 -7.561 4.184 311 H PHE 44 HN PHE 44 -15.989 -11.116 6.360 312 HA PHE 44 HA PHE 44 -15.545 -12.536 3.921 313 1HB PHE 44 HB2 PHE 44 -16.609 -14.443 5.020 314 2HB PHE 44 HB1 PHE 44 -15.429 -13.692 6.083 315 HD1 PHE 44 HD1 PHE 44 -18.984 -14.363 5.519 316 HD2 PHE 44 HD2 PHE 44 -16.130 -12.539 8.106 317 HE1 PHE 44 HE1 PHE 44 -20.683 -14.219 7.291 318 HE2 PHE 44 HE2 PHE 44 -17.829 -12.394 9.879 319 HZ PHE 44 HZ PHE 44 -20.107 -13.235 9.472 320 H ASP 45 HN ASP 45 -17.947 -10.441 4.934 321 HA ASP 45 HA ASP 45 -20.300 -11.295 3.797 322 1HB ASP 45 HB2 ASP 45 -20.120 -9.186 5.004 323 2HB ASP 45 HB1 ASP 45 -19.078 -8.520 3.752 324 H TYR 46 HN TYR 46 -17.557 -9.726 2.173 325 HA TYR 46 HA TYR 46 -18.633 -9.658 -0.415 326 1HB TYR 46 HB2 TYR 46 -16.668 -8.365 0.049 327 2HB TYR 46 HB1 TYR 46 -15.763 -9.790 0.543 328 HD1 TYR 46 HD1 TYR 46 -17.301 -8.116 -2.403 329 HD2 TYR 46 HD2 TYR 46 -14.547 -11.066 -1.040 330 HE1 TYR 46 HE1 TYR 46 -16.443 -8.373 -4.694 331 HE2 TYR 46 HE2 TYR 46 -13.684 -11.323 -3.325 332 HH TYR 46 HH TYR 46 -14.531 -10.951 -5.658 333 H ILE 47 HN ILE 47 -17.028 -12.221 1.366 334 HA ILE 47 HA ILE 47 -16.517 -14.001 -0.754 335 HB ILE 47 HB ILE 47 -17.267 -14.736 2.090 336 1HG1 ILE 47 HG12 ILE 47 -15.386 -13.133 1.999 337 2HG1 ILE 47 HG11 ILE 47 -14.877 -14.716 2.574 338 1HG2 ILE 47 HG21 ILE 47 -15.711 -16.275 0.003 339 2HG2 ILE 47 HG22 ILE 47 -17.352 -16.626 0.542 340 3HG2 ILE 47 HG23 ILE 47 -16.002 -16.794 1.665 341 1HD1 ILE 47 HD11 ILE 47 -13.977 -15.222 0.369 342 2HD1 ILE 47 HD12 ILE 47 -13.258 -13.769 1.059 343 3HD1 ILE 47 HD13 ILE 47 -14.485 -13.632 -0.200 344 H VAL 48 HN VAL 48 -19.278 -13.659 1.417 345 HA VAL 48 HA VAL 48 -20.879 -15.709 0.379 346 HB VAL 48 HB VAL 48 -21.853 -13.102 1.583 347 1HG1 VAL 48 HG11 VAL 48 -23.104 -15.849 1.520 348 2HG1 VAL 48 HG12 VAL 48 -23.624 -14.446 0.585 349 3HG1 VAL 48 HG13 VAL 48 -23.766 -14.435 2.343 350 1HG2 VAL 48 HG21 VAL 48 -20.151 -14.075 3.033 351 2HG2 VAL 48 HG22 VAL 48 -20.982 -15.631 2.998 352 3HG2 VAL 48 HG23 VAL 48 -21.748 -14.240 3.766 353 H GLU 49 HN GLU 49 -20.396 -12.378 -0.601 354 HA GLU 49 HA GLU 49 -22.470 -12.266 -2.549 355 1HB GLU 49 HB2 GLU 49 -19.981 -10.604 -2.124 356 2HB GLU 49 HB1 GLU 49 -21.180 -10.244 -3.359 357 1HG GLU 49 HG2 GLU 49 -21.769 -10.386 -0.405 358 2HG GLU 49 HG1 GLU 49 -21.417 -8.900 -1.287 359 H THR 50 HN THR 50 -19.339 -13.674 -2.546 360 HA THR 50 HA THR 50 -19.344 -13.850 -5.493 361 HB THR 50 HB THR 50 -16.862 -14.357 -5.220 362 HG1 THR 50 HG1 THR 50 -17.296 -13.211 -2.645 363 1HG2 THR 50 HG21 THR 50 -17.701 -12.181 -6.008 364 2HG2 THR 50 HG22 THR 50 -16.242 -12.005 -5.033 365 3HG2 THR 50 HG23 THR 50 -17.818 -11.628 -4.336 366 H THR 51 HN THR 51 -20.649 -15.594 -3.395 367 HA THR 51 HA THR 51 -19.443 -18.157 -4.247 368 HB THR 51 HB THR 51 -21.053 -17.598 -1.735 369 HG1 THR 51 HG1 THR 51 -18.739 -16.869 -1.934 370 1HG2 THR 51 HG21 THR 51 -21.405 -19.872 -2.590 371 2HG2 THR 51 HG22 THR 51 -20.456 -19.893 -1.103 372 3HG2 THR 51 HG23 THR 51 -19.660 -20.120 -2.660 373 H ASP 52 HN ASP 52 -20.738 -19.555 -5.350 374 HA ASP 52 HA ASP 52 -23.125 -18.804 -6.535 375 1HB ASP 52 HB2 ASP 52 -21.779 -21.435 -6.074 376 2HB ASP 52 HB1 ASP 52 -23.463 -21.463 -6.591 377 HA PRO 53 HA PRO 53 -26.183 -18.656 -3.427 378 1HB PRO 53 HB2 PRO 53 -28.288 -19.880 -4.844 379 2HB PRO 53 HB1 PRO 53 -27.893 -18.159 -4.835 380 1HG PRO 53 HG2 PRO 53 -27.178 -20.259 -6.833 381 2HG PRO 53 HG1 PRO 53 -27.586 -18.553 -7.092 382 1HD PRO 53 HD2 PRO 53 -25.056 -19.411 -7.240 383 2HD PRO 53 HD1 PRO 53 -25.439 -17.828 -6.530 384 H GLU 54 HN GLU 54 -25.777 -21.707 -5.132 385 HA GLU 54 HA GLU 54 -27.149 -23.382 -3.343 386 1HB GLU 54 HB2 GLU 54 -24.784 -24.051 -5.111 387 2HB GLU 54 HB1 GLU 54 -25.910 -25.207 -4.410 388 1HG GLU 54 HG2 GLU 54 -27.734 -24.219 -5.717 389 2HG GLU 54 HG1 GLU 54 -26.597 -23.074 -6.429 390 H ARG 55 HN ARG 55 -23.786 -22.310 -3.455 391 HA ARG 55 HA ARG 55 -23.080 -23.876 -1.103 392 1HB ARG 55 HB2 ARG 55 -21.427 -21.917 -2.724 393 2HB ARG 55 HB1 ARG 55 -20.810 -22.993 -1.481 394 1HG ARG 55 HG2 ARG 55 -21.996 -23.787 -4.133 395 2HG ARG 55 HG1 ARG 55 -20.304 -23.896 -3.646 396 1HD ARG 55 HD2 ARG 55 -20.970 -25.501 -1.868 397 2HD ARG 55 HD1 ARG 55 -22.622 -25.446 -2.485 398 HE ARG 55 HE ARG 55 -20.364 -26.331 -4.166 399 1HH1 ARG 55 HH11 ARG 55 -23.557 -26.866 -2.826 400 2HH1 ARG 55 HH12 ARG 55 -23.827 -28.322 -3.718 401 1HH2 ARG 55 HH21 ARG 55 -20.710 -28.274 -5.324 402 2HH2 ARG 55 HH22 ARG 55 -22.216 -29.118 -5.144 403 H ARG 56 HN ARG 56 -23.812 -20.625 -2.033 404 HA ARG 56 HA ARG 56 -22.939 -19.185 0.201 405 1HB ARG 56 HB2 ARG 56 -23.538 -18.056 -1.834 406 2HB ARG 56 HB1 ARG 56 -25.160 -18.724 -1.801 407 1HG ARG 56 HG2 ARG 56 -25.731 -17.347 0.103 408 2HG ARG 56 HG1 ARG 56 -24.077 -16.741 0.194 409 1HD ARG 56 HD2 ARG 56 -24.293 -15.664 -1.949 410 2HD ARG 56 HD1 ARG 56 -25.875 -16.397 -2.206 411 HE ARG 56 HE ARG 56 -26.608 -15.028 -0.231 412 1HH1 ARG 56 HH11 ARG 56 -23.885 -14.019 -2.189 413 2HH1 ARG 56 HH12 ARG 56 -24.151 -12.326 -1.905 414 1HH2 ARG 56 HH21 ARG 56 -26.945 -12.797 0.142 415 2HH2 ARG 56 HH22 ARG 56 -25.869 -11.635 -0.573 416 H ASP 57 HN ASP 57 -25.882 -20.975 -0.466 417 HA ASP 57 HA ASP 57 -27.317 -20.257 1.867 418 1HB ASP 57 HB2 ASP 57 -28.392 -21.279 -0.092 419 2HB ASP 57 HB1 ASP 57 -27.473 -22.759 0.158 420 H LEU 58 HN LEU 58 -24.863 -22.642 1.173 421 HA LEU 58 HA LEU 58 -25.194 -24.110 3.629 422 1HB LEU 58 HB2 LEU 58 -22.951 -24.156 1.598 423 2HB LEU 58 HB1 LEU 58 -23.146 -25.297 2.916 424 HG LEU 58 HG LEU 58 -25.039 -24.957 0.579 425 1HD1 LEU 58 HD11 LEU 58 -23.111 -27.184 1.240 426 2HD1 LEU 58 HD12 LEU 58 -22.947 -26.016 -0.072 427 3HD1 LEU 58 HD13 LEU 58 -24.271 -27.181 -0.090 428 1HD2 LEU 58 HD21 LEU 58 -26.179 -26.938 1.462 429 2HD2 LEU 58 HD22 LEU 58 -26.242 -25.594 2.600 430 3HD2 LEU 58 HD23 LEU 58 -25.116 -26.924 2.871 431 H PHE 59 HN PHE 59 -23.521 -21.288 2.635 432 HA PHE 59 HA PHE 59 -21.403 -21.323 4.524 433 1HB PHE 59 HB2 PHE 59 -22.666 -19.204 2.813 434 2HB PHE 59 HB1 PHE 59 -21.545 -18.731 4.084 435 HD1 PHE 59 HD1 PHE 59 -20.961 -21.930 2.453 436 HD2 PHE 59 HD2 PHE 59 -20.124 -17.754 2.328 437 HE1 PHE 59 HE1 PHE 59 -19.057 -22.360 0.958 438 HE2 PHE 59 HE2 PHE 59 -18.226 -18.179 0.831 439 HZ PHE 59 HZ PHE 59 -17.684 -20.482 0.143 440 H ASP 60 HN ASP 60 -21.744 -21.435 6.625 441 HA ASP 60 HA ASP 60 -23.937 -19.930 7.855 442 1HB ASP 60 HB2 ASP 60 -23.719 -22.271 8.532 443 2HB ASP 60 HB1 ASP 60 -22.045 -22.000 9.010 444 H HIS 61 HN HIS 61 -23.595 -18.241 9.228 445 HA HIS 61 HA HIS 61 -21.358 -16.629 8.802 446 1HB HIS 61 HB2 HIS 61 -23.346 -16.516 11.085 447 2HB HIS 61 HB1 HIS 61 -22.233 -15.225 10.647 448 HD1 HIS 61 HD1 HIS 61 -25.602 -16.351 10.084 449 HD2 HIS 61 HD2 HIS 61 -22.764 -14.274 7.861 450 HE1 HIS 61 HE1 HIS 61 -26.887 -15.184 8.263 451 HE2 HIS 61 HE2 HIS 61 -25.140 -14.013 6.877 452 H ASP 62 HN ASP 62 -22.134 -18.754 11.536 453 HA ASP 62 HA ASP 62 -20.034 -17.974 13.244 454 1HB ASP 62 HB2 ASP 62 -22.018 -19.411 13.871 455 2HB ASP 62 HB1 ASP 62 -21.248 -20.744 13.045 456 H VAL 63 HN VAL 63 -20.314 -20.605 10.923 457 HA VAL 63 HA VAL 63 -17.804 -21.764 11.517 458 HB VAL 63 HB VAL 63 -19.332 -22.124 8.935 459 1HG1 VAL 63 HG11 VAL 63 -18.354 -24.369 9.019 460 2HG1 VAL 63 HG12 VAL 63 -17.521 -23.941 10.513 461 3HG1 VAL 63 HG13 VAL 63 -17.113 -23.116 9.008 462 1HG2 VAL 63 HG21 VAL 63 -19.811 -23.535 11.569 463 2HG2 VAL 63 HG22 VAL 63 -20.575 -23.930 10.029 464 3HG2 VAL 63 HG23 VAL 63 -20.902 -22.379 10.802 465 H ASN 64 HN ASN 64 -18.903 -19.747 8.780 466 HA ASN 64 HA ASN 64 -16.417 -19.613 7.473 467 1HB ASN 64 HB2 ASN 64 -18.868 -17.871 7.415 468 2HB ASN 64 HB1 ASN 64 -17.413 -17.370 6.560 469 1HD2 ASN 64 HD21 ASN 64 -16.704 -18.566 4.784 470 2HD2 ASN 64 HD22 ASN 64 -17.737 -19.691 3.972 471 H ARG 65 HN ARG 65 -17.739 -17.783 10.150 472 HA ARG 65 HA ARG 65 -15.715 -15.774 10.192 473 1HB ARG 65 HB2 ARG 65 -17.970 -15.628 11.330 474 2HB ARG 65 HB1 ARG 65 -17.370 -16.765 12.530 475 1HG ARG 65 HG2 ARG 65 -15.580 -15.158 13.110 476 2HG ARG 65 HG1 ARG 65 -16.269 -14.015 11.957 477 1HD ARG 65 HD2 ARG 65 -18.426 -14.177 13.265 478 2HD ARG 65 HD1 ARG 65 -17.522 -15.068 14.490 479 HE ARG 65 HE ARG 65 -17.018 -12.267 13.700 480 1HH1 ARG 65 HH11 ARG 65 -16.882 -14.842 16.081 481 2HH1 ARG 65 HH12 ARG 65 -16.233 -13.819 17.322 482 1HH2 ARG 65 HH21 ARG 65 -16.204 -10.924 15.351 483 2HH2 ARG 65 HH22 ARG 65 -15.878 -11.589 16.921 484 H ALA 66 HN ALA 66 -16.182 -18.862 11.842 485 HA ALA 66 HA ALA 66 -14.165 -18.791 13.716 486 1HB ALA 66 HB1 ALA 66 -15.870 -20.547 13.602 487 2HB ALA 66 HB2 ALA 66 -14.247 -21.229 13.709 488 3HB ALA 66 HB3 ALA 66 -15.095 -21.207 12.162 489 H TRP 67 HN TRP 67 -13.947 -19.602 10.299 490 HA TRP 67 HA TRP 67 -11.421 -20.754 10.230 491 1HB TRP 67 HB2 TRP 67 -12.978 -20.729 8.312 492 2HB TRP 67 HB1 TRP 67 -12.699 -19.002 8.111 493 HD1 TRP 67 HD1 TRP 67 -10.580 -18.277 6.748 494 HE1 TRP 67 HE1 TRP 67 -8.734 -19.561 5.497 495 HE3 TRP 67 HE3 TRP 67 -11.564 -22.992 8.462 496 HZ2 TRP 67 HZ2 TRP 67 -7.813 -22.220 5.266 497 HZ3 TRP 67 HZ3 TRP 67 -10.154 -24.850 7.679 498 HH2 TRP 67 HH2 TRP 67 -8.317 -24.471 6.114 499 H MET 68 HN MET 68 -12.239 -17.318 9.632 500 HA MET 68 HA MET 68 -9.519 -16.518 9.400 501 1HB MET 68 HB2 MET 68 -10.336 -14.240 9.371 502 2HB MET 68 HB1 MET 68 -11.389 -15.243 8.386 503 1HG MET 68 HG2 MET 68 -13.048 -15.291 10.151 504 2HG MET 68 HG1 MET 68 -11.981 -14.368 11.210 505 1HE MET 68 HE1 MET 68 -13.883 -12.574 11.664 506 2HE MET 68 HE2 MET 68 -14.985 -13.497 10.641 507 3HE MET 68 HE3 MET 68 -14.787 -11.763 10.385 508 H GLU 69 HN GLU 69 -11.674 -16.931 12.074 509 HA GLU 69 HA GLU 69 -10.409 -15.303 13.994 510 1HB GLU 69 HB2 GLU 69 -11.970 -17.876 14.358 511 2HB GLU 69 HB1 GLU 69 -11.535 -16.777 15.659 512 1HG GLU 69 HG2 GLU 69 -13.219 -15.957 13.303 513 2HG GLU 69 HG1 GLU 69 -13.893 -16.601 14.796 514 H GLU 70 HN GLU 70 -9.795 -18.607 12.903 515 HA GLU 70 HA GLU 70 -7.518 -18.749 14.777 516 1HB GLU 70 HB2 GLU 70 -7.753 -21.181 14.728 517 2HB GLU 70 HB1 GLU 70 -9.239 -20.410 15.262 518 1HG GLU 70 HG2 GLU 70 -10.205 -20.730 13.033 519 2HG GLU 70 HG1 GLU 70 -8.715 -21.510 12.502 520 H SER 71 HN SER 71 -7.777 -17.739 11.884 521 HA SER 71 HA SER 71 -5.287 -18.994 11.005 522 1HB SER 71 HB2 SER 71 -7.675 -18.711 9.153 523 2HB SER 71 HB1 SER 71 -6.088 -19.357 8.729 524 HG SER 71 HG SER 71 -8.132 -20.492 10.276 525 H ASP 72 HN ASP 72 -4.062 -17.182 11.206 526 HA ASP 72 HA ASP 72 -4.984 -14.621 10.182 527 1HB ASP 72 HB2 ASP 72 -3.616 -14.757 12.263 528 2HB ASP 72 HB1 ASP 72 -2.270 -15.377 11.314 529 H PHE 73 HN PHE 73 -4.960 -14.355 8.046 530 HA PHE 73 HA PHE 73 -3.486 -15.979 6.268 531 1HB PHE 73 HB2 PHE 73 -4.946 -13.372 5.774 532 2HB PHE 73 HB1 PHE 73 -4.342 -14.441 4.510 533 HD1 PHE 73 HD2 PHE 73 -5.391 -16.601 4.091 534 HD2 PHE 73 HD1 PHE 73 -6.897 -13.963 7.080 535 HE1 PHE 73 HE2 PHE 73 -7.471 -17.909 4.197 536 HE2 PHE 73 HE1 PHE 73 -8.973 -15.273 7.193 537 HZ PHE 73 HZ PHE 73 -9.264 -17.246 5.750 538 H LEU 74 HN LEU 74 -1.495 -15.819 5.529 539 HA LEU 74 HA LEU 74 0.098 -13.478 6.296 540 1HB LEU 74 HB2 LEU 74 1.003 -16.242 5.462 541 2HB LEU 74 HB1 LEU 74 2.045 -14.947 6.022 542 HG LEU 74 HG LEU 74 -0.036 -16.406 7.660 543 1HD1 LEU 74 HD11 LEU 74 1.967 -17.727 7.254 544 2HD1 LEU 74 HD12 LEU 74 1.884 -17.221 8.941 545 3HD1 LEU 74 HD13 LEU 74 2.978 -16.400 7.827 546 1HD2 LEU 74 HD21 LEU 74 0.795 -15.093 9.558 547 2HD2 LEU 74 HD22 LEU 74 0.059 -14.069 8.326 548 3HD2 LEU 74 HD23 LEU 74 1.816 -14.160 8.462 549 H GLU 75 HN GLU 75 -0.226 -15.760 3.561 550 HA GLU 75 HA GLU 75 0.468 -13.647 1.682 551 1HB GLU 75 HB2 GLU 75 2.649 -14.529 2.450 552 2HB GLU 75 HB1 GLU 75 2.157 -16.150 1.984 553 1HG GLU 75 HG2 GLU 75 3.651 -15.202 0.334 554 2HG GLU 75 HG1 GLU 75 2.049 -15.449 -0.357 555 H LEU 76 HN LEU 76 0.042 -14.218 -0.513 556 HA LEU 76 HA LEU 76 -1.627 -16.628 -0.865 557 1HB LEU 76 HB2 LEU 76 -2.974 -14.542 -0.634 558 2HB LEU 76 HB1 LEU 76 -2.144 -13.874 -2.021 559 HG LEU 76 HG LEU 76 -4.504 -14.808 -2.372 560 1HD1 LEU 76 HD11 LEU 76 -2.307 -15.846 -4.157 561 2HD1 LEU 76 HD12 LEU 76 -3.007 -14.228 -4.214 562 3HD1 LEU 76 HD13 LEU 76 -4.002 -15.633 -4.595 563 1HD2 LEU 76 HD21 LEU 76 -4.221 -16.881 -1.104 564 2HD2 LEU 76 HD22 LEU 76 -3.016 -17.435 -2.267 565 3HD2 LEU 76 HD23 LEU 76 -4.691 -17.207 -2.772 566 H ARG 77 HN ARG 77 -1.061 -17.862 -2.557 567 HA ARG 77 HA ARG 77 0.691 -16.731 -4.632 568 1HB ARG 77 HB2 ARG 77 2.174 -17.905 -3.146 569 2HB ARG 77 HB1 ARG 77 1.099 -19.295 -3.073 570 1HG ARG 77 HG2 ARG 77 1.556 -19.818 -5.394 571 2HG ARG 77 HG1 ARG 77 2.555 -18.372 -5.551 572 1HD ARG 77 HD2 ARG 77 3.120 -20.687 -3.693 573 2HD ARG 77 HD1 ARG 77 3.883 -20.437 -5.264 574 HE ARG 77 HE ARG 77 4.219 -18.141 -3.644 575 1HH1 ARG 77 HH11 ARG 77 5.387 -21.428 -4.003 576 2HH1 ARG 77 HH12 ARG 77 6.927 -21.093 -3.274 577 1HH2 ARG 77 HH21 ARG 77 6.251 -17.696 -2.702 578 2HH2 ARG 77 HH22 ARG 77 7.414 -18.977 -2.532 579 H VAL 78 HN VAL 78 -0.493 -16.845 -6.418 580 HA VAL 78 HA VAL 78 -2.399 -18.977 -6.877 581 HB VAL 78 HB VAL 78 -1.539 -16.611 -8.548 582 1HG1 VAL 78 HG11 VAL 78 -3.708 -18.639 -9.150 583 2HG1 VAL 78 HG12 VAL 78 -2.203 -18.431 -10.047 584 3HG1 VAL 78 HG13 VAL 78 -3.417 -17.153 -10.054 585 1HG2 VAL 78 HG21 VAL 78 -2.842 -16.026 -6.581 586 2HG2 VAL 78 HG22 VAL 78 -4.095 -17.179 -7.042 587 3HG2 VAL 78 HG23 VAL 78 -3.790 -15.761 -8.045 588 H LEU 79 HN LEU 79 -2.026 -20.784 -8.045 589 HA LEU 79 HA LEU 79 0.693 -21.185 -9.057 590 1HB LEU 79 HB2 LEU 79 -1.525 -23.187 -8.581 591 2HB LEU 79 HB1 LEU 79 0.121 -23.575 -9.049 592 HG LEU 79 HG LEU 79 -0.761 -22.354 -6.424 593 1HD1 LEU 79 HD11 LEU 79 -1.238 -24.735 -6.602 594 2HD1 LEU 79 HD12 LEU 79 0.063 -24.439 -5.451 595 3HD1 LEU 79 HD13 LEU 79 0.435 -25.051 -7.063 596 1HD2 LEU 79 HD21 LEU 79 1.378 -21.409 -7.087 597 2HD2 LEU 79 HD22 LEU 79 2.022 -23.023 -7.387 598 3HD2 LEU 79 HD23 LEU 79 1.593 -22.535 -5.747 599 H GLY 80 HN GLY 80 -2.676 -21.719 -10.101 600 1HA GLY 80 HA2 GLY 80 -1.966 -21.026 -12.824 601 2HA GLY 80 HA1 GLY 80 -2.401 -22.715 -12.597 602 H SER 81 HN SER 81 -3.814 -20.896 -14.244 603 HA SER 81 HA SER 81 -6.453 -21.126 -13.030 604 1HB SER 81 HB2 SER 81 -5.433 -18.490 -14.141 605 2HB SER 81 HB1 SER 81 -7.073 -18.806 -13.574 606 HG SER 81 HG SER 81 -5.247 -19.488 -11.700 607 H SER 82 HN SER 82 -8.086 -21.407 -14.540 608 HA SER 82 HA SER 82 -7.492 -21.035 -17.368 609 1HB SER 82 HB2 SER 82 -8.289 -23.727 -16.215 610 2HB SER 82 HB1 SER 82 -8.150 -23.350 -17.934 611 HG SER 82 HG SER 82 -5.890 -22.590 -16.824 612 H GLU 83 HN GLU 83 -9.145 -19.960 -18.164 613 HA GLU 83 HA GLU 83 -11.842 -20.327 -17.057 614 1HB GLU 83 HB2 GLU 83 -11.100 -18.016 -17.230 615 2HB GLU 83 HB1 GLU 83 -10.699 -18.235 -18.929 616 1HG GLU 83 HG2 GLU 83 -13.112 -18.668 -19.380 617 2HG GLU 83 HG1 GLU 83 -13.451 -18.273 -17.695 618 H LYS 84 HN LYS 84 -13.276 -21.553 -18.101 619 HA LYS 84 HA LYS 84 -12.839 -22.149 -20.960 620 1HB LYS 84 HB2 LYS 84 -14.169 -23.930 -18.900 621 2HB LYS 84 HB1 LYS 84 -13.864 -24.330 -20.583 622 1HG LYS 84 HG2 LYS 84 -11.758 -23.852 -18.480 623 2HG LYS 84 HG1 LYS 84 -12.289 -25.425 -19.080 624 1HD LYS 84 HD2 LYS 84 -11.568 -24.704 -21.371 625 2HD LYS 84 HD1 LYS 84 -10.879 -23.253 -20.637 626 1HE LYS 84 HE2 LYS 84 -9.427 -24.654 -19.246 627 2HE LYS 84 HE1 LYS 84 -10.118 -26.100 -19.983 628 1HZ LYS 84 HZ1 LYS 84 -8.623 -23.984 -21.436 629 2HZ LYS 84 HZ2 LYS 84 -9.243 -25.406 -22.112 630 3HZ LYS 84 HZ3 LYS 84 -7.995 -25.485 -20.979 631 H GLY 85 HN GLY 85 -14.153 -20.483 -21.708 632 1HA GLY 85 HA2 GLY 85 -16.118 -19.561 -22.446 633 2HA GLY 85 HA1 GLY 85 -16.919 -21.036 -21.925 634 H SER 86 HN SER 86 -17.821 -21.146 -19.849 635 HA SER 86 HA SER 86 -18.001 -18.577 -18.402 636 1HB SER 86 HB2 SER 86 -20.252 -20.557 -18.870 637 2HB SER 86 HB1 SER 86 -20.368 -19.057 -17.947 638 HG SER 86 HG SER 86 -19.408 -18.273 -20.187 639 H ARG 87 HN ARG 87 -17.044 -21.738 -18.265 640 HA ARG 87 HA ARG 87 -17.341 -21.848 -15.327 641 1HB ARG 87 HB2 ARG 87 -18.434 -23.696 -16.643 642 2HB ARG 87 HB1 ARG 87 -16.855 -24.149 -17.252 643 1HG ARG 87 HG2 ARG 87 -17.519 -24.125 -14.315 644 2HG ARG 87 HG1 ARG 87 -17.802 -25.525 -15.347 645 1HD ARG 87 HD2 ARG 87 -15.171 -24.223 -14.670 646 2HD ARG 87 HD1 ARG 87 -15.710 -25.852 -14.266 647 HE ARG 87 HE ARG 87 -15.517 -25.227 -17.099 648 1HH1 ARG 87 HH11 ARG 87 -14.030 -26.743 -14.311 649 2HH1 ARG 87 HH12 ARG 87 -12.892 -27.647 -15.260 650 1HH2 ARG 87 HH21 ARG 87 -14.027 -26.408 -18.340 651 2HH2 ARG 87 HH22 ARG 87 -12.868 -27.432 -17.549 652 H GLY 88 HN GLY 88 -15.463 -21.877 -14.138 653 1HA GLY 88 HA2 GLY 88 -12.925 -22.171 -15.618 654 2HA GLY 88 HA1 GLY 88 -13.212 -20.727 -14.658 655 H THR 89 HN THR 89 -11.042 -22.308 -14.193 656 HA THR 89 HA THR 89 -11.575 -23.123 -11.444 657 HB THR 89 HB THR 89 -10.083 -24.928 -13.380 658 HG1 THR 89 HG1 THR 89 -12.736 -24.751 -12.742 659 1HG2 THR 89 HG21 THR 89 -9.225 -25.031 -11.083 660 2HG2 THR 89 HG22 THR 89 -10.065 -26.521 -11.512 661 3HG2 THR 89 HG23 THR 89 -10.856 -25.327 -10.483 662 H VAL 90 HN VAL 90 -9.828 -22.769 -10.086 663 HA VAL 90 HA VAL 90 -7.281 -21.952 -11.276 664 HB VAL 90 HB VAL 90 -8.298 -19.822 -11.016 665 1HG1 VAL 90 HG11 VAL 90 -10.183 -20.488 -9.609 666 2HG1 VAL 90 HG12 VAL 90 -9.387 -19.047 -8.978 667 3HG1 VAL 90 HG13 VAL 90 -9.107 -20.615 -8.216 668 1HG2 VAL 90 HG21 VAL 90 -5.998 -19.918 -10.185 669 2HG2 VAL 90 HG22 VAL 90 -6.589 -20.289 -8.564 670 3HG2 VAL 90 HG23 VAL 90 -6.944 -18.724 -9.297 671 H GLU 91 HN GLU 91 -5.587 -22.688 -10.223 672 HA GLU 91 HA GLU 91 -5.951 -23.970 -7.600 673 1HB GLU 91 HB2 GLU 91 -5.102 -25.479 -9.300 674 2HB GLU 91 HB1 GLU 91 -3.842 -24.334 -9.746 675 1HG GLU 91 HG2 GLU 91 -2.843 -24.603 -7.508 676 2HG GLU 91 HG1 GLU 91 -4.077 -25.802 -7.123 677 H PHE 92 HN PHE 92 -4.691 -23.356 -5.861 678 HA PHE 92 HA PHE 92 -2.497 -21.524 -6.179 679 1HB PHE 92 HB2 PHE 92 -3.458 -19.672 -4.906 680 2HB PHE 92 HB1 PHE 92 -4.402 -19.971 -6.359 681 HD1 PHE 92 HD2 PHE 92 -6.552 -21.366 -6.104 682 HD2 PHE 92 HD1 PHE 92 -4.499 -19.585 -2.819 683 HE1 PHE 92 HE2 PHE 92 -8.597 -21.516 -4.744 684 HE2 PHE 92 HE1 PHE 92 -6.542 -19.732 -1.460 685 HZ PHE 92 HZ PHE 92 -8.594 -20.698 -2.421 686 H ILE 93 HN ILE 93 -2.013 -20.620 -3.814 687 HA ILE 93 HA ILE 93 -2.435 -22.712 -1.804 688 HB ILE 93 HB ILE 93 0.234 -21.498 -2.580 689 1HG1 ILE 93 HG12 ILE 93 -0.646 -24.391 -2.334 690 2HG1 ILE 93 HG11 ILE 93 -0.506 -23.510 -3.849 691 1HG2 ILE 93 HG21 ILE 93 1.193 -22.693 -0.645 692 2HG2 ILE 93 HG22 ILE 93 -0.434 -23.133 -0.125 693 3HG2 ILE 93 HG23 ILE 93 0.054 -21.439 -0.155 694 1HD1 ILE 93 HD11 ILE 93 1.743 -24.143 -1.953 695 2HD1 ILE 93 HD12 ILE 93 1.894 -23.247 -3.466 696 3HD1 ILE 93 HD13 ILE 93 1.409 -24.943 -3.489 697 H ALA 94 HN ALA 94 -3.484 -21.721 -0.220 698 HA ALA 94 HA ALA 94 -3.031 -18.897 0.363 699 1HB ALA 94 HB1 ALA 94 -5.334 -19.744 0.311 700 2HB ALA 94 HB2 ALA 94 -4.915 -19.129 1.910 701 3HB ALA 94 HB3 ALA 94 -4.954 -20.868 1.616 702 H ARG 95 HN ARG 95 -1.345 -18.407 1.629 703 HA ARG 95 HA ARG 95 -0.446 -20.307 3.674 704 1HB ARG 95 HB2 ARG 95 1.251 -19.340 2.151 705 2HB ARG 95 HB1 ARG 95 0.830 -17.727 2.713 706 1HG ARG 95 HG2 ARG 95 1.523 -18.414 5.011 707 2HG ARG 95 HG1 ARG 95 2.080 -19.947 4.335 708 1HD ARG 95 HD2 ARG 95 3.096 -17.186 3.644 709 2HD ARG 95 HD1 ARG 95 3.947 -18.419 4.575 710 HE ARG 95 HE ARG 95 3.541 -19.705 2.276 711 1HH1 ARG 95 HH11 ARG 95 4.748 -16.476 2.904 712 2HH1 ARG 95 HH12 ARG 95 5.715 -16.426 1.464 713 1HH2 ARG 95 HH21 ARG 95 4.818 -19.628 0.379 714 2HH2 ARG 95 HH22 ARG 95 5.732 -18.195 0.020 715 H PHE 96 HN PHE 96 -0.914 -20.024 5.747 716 HA PHE 96 HA PHE 96 -1.420 -17.392 6.857 717 1HB PHE 96 HB2 PHE 96 -3.580 -18.341 7.938 718 2HB PHE 96 HB1 PHE 96 -3.660 -17.804 6.264 719 HD1 PHE 96 HD1 PHE 96 -2.940 -20.927 8.204 720 HD2 PHE 96 HD2 PHE 96 -4.726 -19.177 4.753 721 HE1 PHE 96 HE1 PHE 96 -3.795 -23.127 7.532 722 HE2 PHE 96 HE2 PHE 96 -5.589 -21.381 4.082 723 HZ PHE 96 HZ PHE 96 -5.127 -23.359 5.473 724 H ARG 97 HN ARG 97 -1.583 -17.510 9.261 725 HA ARG 97 HA ARG 97 0.184 -19.603 10.247 726 1HB ARG 97 HB2 ARG 97 0.492 -17.138 10.800 727 2HB ARG 97 HB1 ARG 97 -0.934 -17.272 11.819 728 1HG ARG 97 HG2 ARG 97 0.140 -18.788 13.292 729 2HG ARG 97 HG1 ARG 97 1.477 -19.042 12.169 730 1HD ARG 97 HD2 ARG 97 0.843 -16.528 13.718 731 2HD ARG 97 HD1 ARG 97 2.228 -17.598 13.943 732 HE ARG 97 HE ARG 97 1.848 -15.622 11.835 733 1HH1 ARG 97 HH11 ARG 97 3.823 -18.201 13.151 734 2HH1 ARG 97 HH12 ARG 97 5.170 -17.864 12.114 735 1HH2 ARG 97 HH21 ARG 97 3.633 -15.162 10.496 736 2HH2 ARG 97 HH22 ARG 97 5.052 -16.162 10.582 737 H ARG 98 HN ARG 98 -0.568 -21.363 11.130 738 HA ARG 98 HA ARG 98 -3.356 -21.832 11.424 739 1HB ARG 98 HB2 ARG 98 -1.805 -23.562 10.656 740 2HB ARG 98 HB1 ARG 98 -0.937 -23.496 12.178 741 1HG ARG 98 HG2 ARG 98 -2.355 -25.466 12.025 742 2HG ARG 98 HG1 ARG 98 -2.859 -24.414 13.345 743 1HD ARG 98 HD2 ARG 98 -4.172 -24.251 10.645 744 2HD ARG 98 HD1 ARG 98 -4.666 -25.467 11.821 745 HE ARG 98 HE ARG 98 -5.299 -22.685 11.857 746 1HH1 ARG 98 HH11 ARG 98 -4.712 -25.456 13.935 747 2HH1 ARG 98 HH12 ARG 98 -5.653 -24.821 15.248 748 1HH2 ARG 98 HH21 ARG 98 -6.523 -21.863 13.591 749 2HH2 ARG 98 HH22 ARG 98 -6.673 -22.784 15.054 750 H GLY 99 HN GLY 99 -4.201 -20.513 12.980 751 1HA GLY 99 HA2 GLY 99 -4.903 -19.933 15.080 752 2HA GLY 99 HA1 GLY 99 -4.115 -21.390 15.671 753 H GLY 100 HN GLY 100 -2.062 -21.281 16.501 754 1HA GLY 100 HA2 GLY 100 -0.661 -18.712 16.497 755 2HA GLY 100 HA1 GLY 100 -1.152 -19.367 18.056 756 H GLY 101 HN GLY 101 -0.246 -21.474 15.449 757 1HA GLY 101 HA2 GLY 101 2.294 -22.047 16.860 758 2HA GLY 101 HA1 GLY 101 1.284 -23.293 16.144 759 HA PRO 102 HA PRO 102 4.008 -22.795 12.695 760 1HB PRO 102 HB2 PRO 102 3.052 -24.731 11.130 761 2HB PRO 102 HB1 PRO 102 3.786 -25.115 12.693 762 1HG PRO 102 HG2 PRO 102 0.883 -24.926 11.964 763 2HG PRO 102 HG1 PRO 102 1.708 -26.141 12.959 764 1HD PRO 102 HD2 PRO 102 0.311 -23.964 13.961 765 2HD PRO 102 HD1 PRO 102 1.581 -24.839 14.841 766 H GLU 103 HN GLU 103 4.071 -22.131 10.511 767 HA GLU 103 HA GLU 103 1.762 -20.666 9.539 768 1HB GLU 103 HB2 GLU 103 4.503 -21.067 8.302 769 2HB GLU 103 HB1 GLU 103 3.274 -19.940 7.737 770 1HG GLU 103 HG2 GLU 103 3.470 -18.614 9.706 771 2HG GLU 103 HG1 GLU 103 4.489 -19.819 10.483 772 H GLN 104 HN GLN 104 0.223 -21.825 8.591 773 HA GLN 104 HA GLN 104 0.932 -24.315 7.206 774 1HB GLN 104 HB2 GLN 104 -0.759 -24.411 9.037 775 2HB GLN 104 HB1 GLN 104 -1.794 -23.339 8.103 776 1HG GLN 104 HG2 GLN 104 -2.000 -25.007 6.355 777 2HG GLN 104 HG1 GLN 104 -0.879 -26.070 7.205 778 1HE2 GLN 104 HE21 GLN 104 -4.110 -24.816 7.096 779 2HE2 GLN 104 HE22 GLN 104 -4.788 -25.887 8.267 780 H SER 105 HN SER 105 0.369 -24.677 5.105 781 HA SER 105 HA SER 105 -0.763 -22.406 3.612 782 1HB SER 105 HB2 SER 105 0.806 -23.127 1.729 783 2HB SER 105 HB1 SER 105 1.569 -22.353 3.116 784 HG SER 105 HG SER 105 1.324 -25.160 3.008 785 H HIS 106 HN HIS 106 -2.657 -23.004 2.830 786 HA HIS 106 HA HIS 106 -3.228 -25.825 2.389 787 1HB HIS 106 HB2 HIS 106 -4.819 -24.240 3.595 788 2HB HIS 106 HB1 HIS 106 -5.130 -23.497 2.029 789 HD1 HIS 106 HD1 HIS 106 -7.176 -24.386 0.969 790 HD2 HIS 106 HD2 HIS 106 -5.311 -27.243 3.339 791 HE1 HIS 106 HE1 HIS 106 -8.642 -26.425 0.847 792 HE2 HIS 106 HE2 HIS 106 -7.564 -28.092 2.400 793 H HIS 107 HN HIS 107 -2.750 -26.668 0.486 794 HA HIS 107 HA HIS 107 -2.813 -25.016 -1.935 795 1HB HIS 107 HB2 HIS 107 -0.789 -26.264 -1.773 796 2HB HIS 107 HB1 HIS 107 -1.637 -27.731 -1.315 797 HD1 HIS 107 HD1 HIS 107 -0.732 -29.167 -3.199 798 HD2 HIS 107 HD2 HIS 107 -2.649 -25.736 -4.555 799 HE1 HIS 107 HE1 HIS 107 -0.954 -29.457 -5.683 800 HE2 HIS 107 HE2 HIS 107 -2.272 -27.459 -6.449 801 H GLU 108 HN GLU 108 -4.751 -24.899 -2.843 802 HA GLU 108 HA GLU 108 -6.264 -27.393 -3.224 803 1HB GLU 108 HB2 GLU 108 -8.350 -26.322 -2.663 804 2HB GLU 108 HB1 GLU 108 -7.243 -26.149 -1.312 805 1HG GLU 108 HG2 GLU 108 -7.748 -23.986 -3.352 806 2HG GLU 108 HG1 GLU 108 -8.628 -24.130 -1.834 807 H ARG 109 HN ARG 109 -8.152 -26.937 -4.754 808 HA ARG 109 HA ARG 109 -7.513 -24.959 -6.820 809 1HB ARG 109 HB2 ARG 109 -6.562 -27.167 -7.500 810 2HB ARG 109 HB1 ARG 109 -8.167 -27.871 -7.376 811 1HG ARG 109 HG2 ARG 109 -8.952 -26.407 -9.169 812 2HG ARG 109 HG1 ARG 109 -7.347 -25.681 -9.284 813 1HD ARG 109 HD2 ARG 109 -8.038 -28.580 -9.799 814 2HD ARG 109 HD1 ARG 109 -7.669 -27.366 -11.024 815 HE ARG 109 HE ARG 109 -5.458 -27.308 -9.505 816 1HH1 ARG 109 HH11 ARG 109 -7.220 -29.987 -10.919 817 2HH1 ARG 109 HH12 ARG 109 -5.815 -30.996 -11.053 818 1HH2 ARG 109 HH21 ARG 109 -3.621 -28.632 -9.684 819 2HH2 ARG 109 HH22 ARG 109 -3.772 -30.223 -10.360 820 H SER 110 HN SER 110 -9.266 -23.698 -6.765 821 HA SER 110 HA SER 110 -11.858 -24.899 -6.092 822 1HB SER 110 HB2 SER 110 -12.517 -22.468 -5.705 823 2HB SER 110 HB1 SER 110 -11.311 -23.132 -4.604 824 HG SER 110 HG SER 110 -10.404 -21.862 -6.924 825 H GLN 111 HN GLN 111 -13.504 -24.961 -7.471 826 HA GLN 111 HA GLN 111 -13.165 -23.875 -10.157 827 1HB GLN 111 HB2 GLN 111 -15.313 -25.672 -8.994 828 2HB GLN 111 HB1 GLN 111 -15.243 -25.153 -10.670 829 1HG GLN 111 HG2 GLN 111 -14.385 -27.325 -10.667 830 2HG GLN 111 HG1 GLN 111 -12.971 -26.283 -10.780 831 1HE2 GLN 111 HE21 GLN 111 -11.554 -26.172 -9.032 832 2HE2 GLN 111 HE22 GLN 111 -11.586 -27.316 -7.740 833 H PHE 112 HN PHE 112 -14.496 -22.340 -11.035 834 HA PHE 112 HA PHE 112 -16.439 -21.022 -9.250 835 1HB PHE 112 HB2 PHE 112 -14.353 -19.737 -11.036 836 2HB PHE 112 HB1 PHE 112 -15.720 -18.854 -10.367 837 HD1 PHE 112 HD1 PHE 112 -12.592 -20.626 -9.533 838 HD2 PHE 112 HD2 PHE 112 -15.748 -18.155 -8.092 839 HE1 PHE 112 HE1 PHE 112 -11.311 -20.181 -7.482 840 HE2 PHE 112 HE2 PHE 112 -14.468 -17.710 -6.042 841 HZ PHE 112 HZ PHE 112 -12.247 -18.722 -5.737 842 H ARG 113 HN ARG 113 -18.261 -20.181 -10.255 843 HA ARG 113 HA ARG 113 -18.646 -20.934 -13.082 844 1HB ARG 113 HB2 ARG 113 -20.004 -22.303 -11.590 845 2HB ARG 113 HB1 ARG 113 -20.652 -20.865 -10.814 846 1HG ARG 113 HG2 ARG 113 -21.903 -20.271 -12.731 847 2HG ARG 113 HG1 ARG 113 -21.047 -21.437 -13.741 848 1HD ARG 113 HD2 ARG 113 -23.296 -22.227 -13.149 849 2HD ARG 113 HD1 ARG 113 -22.046 -23.279 -12.482 850 HE ARG 113 HE ARG 113 -22.858 -21.254 -10.631 851 1HH1 ARG 113 HH11 ARG 113 -23.686 -24.428 -11.888 852 2HH1 ARG 113 HH12 ARG 113 -24.639 -24.852 -10.503 853 1HH2 ARG 113 HH21 ARG 113 -24.093 -21.819 -8.835 854 2HH2 ARG 113 HH22 ARG 113 -24.866 -23.378 -8.759 855 H LYS 114 HN LYS 114 -19.353 -19.395 -14.464 856 HA LYS 114 HA LYS 114 -19.400 -16.656 -13.452 857 1HB LYS 114 HB2 LYS 114 -17.969 -17.390 -15.403 858 2HB LYS 114 HB1 LYS 114 -19.453 -17.565 -16.329 859 1HG LYS 114 HG2 LYS 114 -19.943 -15.188 -15.991 860 2HG LYS 114 HG1 LYS 114 -18.447 -15.018 -15.068 861 1HD LYS 114 HD2 LYS 114 -17.213 -15.835 -17.106 862 2HD LYS 114 HD1 LYS 114 -18.737 -15.709 -17.991 863 1HE LYS 114 HE2 LYS 114 -18.844 -13.313 -17.319 864 2HE LYS 114 HE1 LYS 114 -17.234 -13.480 -16.623 865 1HZ LYS 114 HZ1 LYS 114 -17.045 -12.576 -18.818 866 2HZ LYS 114 HZ2 LYS 114 -17.964 -13.828 -19.478 867 3HZ LYS 114 HZ3 LYS 114 -16.434 -14.152 -18.843 868 H ALA 115 HN ALA 115 -21.297 -15.807 -12.911 869 HA ALA 115 HA ALA 115 -23.617 -16.271 -14.663 870 1HB ALA 115 HB1 ALA 115 -23.695 -16.267 -11.638 871 2HB ALA 115 HB2 ALA 115 -23.882 -17.683 -12.672 872 3HB ALA 115 HB3 ALA 115 -25.089 -16.397 -12.711 873 H ARG 116 HN ARG 116 -24.749 -14.472 -15.154 874 HA ARG 116 HA ARG 116 -25.273 -12.266 -15.376 875 1HB ARG 116 HB2 ARG 116 -25.783 -12.945 -12.792 876 2HB ARG 116 HB1 ARG 116 -24.641 -11.637 -12.535 877 1HG ARG 116 HG2 ARG 116 -27.218 -11.438 -14.097 878 2HG ARG 116 HG1 ARG 116 -26.968 -10.878 -12.445 879 1HD ARG 116 HD2 ARG 116 -25.194 -9.343 -13.316 880 2HD ARG 116 HD1 ARG 116 -25.652 -9.825 -14.950 881 HE ARG 116 HE ARG 116 -27.972 -8.979 -13.679 882 1HH1 ARG 116 HH11 ARG 116 -24.905 -7.585 -14.669 883 2HH1 ARG 116 HH12 ARG 116 -25.549 -5.985 -14.847 884 1HH2 ARG 116 HH21 ARG 116 -28.808 -6.872 -13.913 885 2HH2 ARG 116 HH22 ARG 116 -27.761 -5.577 -14.408 886 H GLY 117 HN GLY 117 -22.420 -13.169 -15.578 887 1HA GLY 117 HA2 GLY 117 -20.632 -11.937 -16.470 888 2HA GLY 117 HA1 GLY 117 -21.266 -10.487 -15.710 889 H ARG 118 HN ARG 118 -21.485 -12.284 -13.159 890 HA ARG 118 HA ARG 118 -18.747 -11.685 -12.278 891 1HB ARG 118 HB2 ARG 118 -21.249 -12.244 -10.662 892 2HB ARG 118 HB1 ARG 118 -19.657 -11.993 -9.965 893 1HG ARG 118 HG2 ARG 118 -20.596 -9.912 -9.725 894 2HG ARG 118 HG1 ARG 118 -19.737 -9.726 -11.253 895 1HD ARG 118 HD2 ARG 118 -21.951 -8.763 -11.429 896 2HD ARG 118 HD1 ARG 118 -21.844 -10.193 -12.458 897 HE ARG 118 HE ARG 118 -22.895 -11.316 -10.349 898 1HH1 ARG 118 HH11 ARG 118 -23.678 -8.140 -11.623 899 2HH1 ARG 118 HH12 ARG 118 -25.323 -8.197 -11.063 900 1HH2 ARG 118 HH21 ARG 118 -25.055 -11.368 -9.610 901 2HH2 ARG 118 HH22 ARG 118 -26.096 -10.013 -9.929 902 H TRP 119 HN TRP 119 -17.624 -13.215 -10.943 903 HA TRP 119 HA TRP 119 -18.253 -16.001 -11.627 904 1HB TRP 119 HB2 TRP 119 -15.693 -14.598 -10.854 905 2HB TRP 119 HB1 TRP 119 -15.836 -16.353 -10.796 906 HD1 TRP 119 HD1 TRP 119 -15.818 -13.447 -13.329 907 HE1 TRP 119 HE1 TRP 119 -15.280 -14.427 -15.655 908 HE3 TRP 119 HE3 TRP 119 -15.939 -18.403 -12.163 909 HZ2 TRP 119 HZ2 TRP 119 -14.963 -16.963 -16.833 910 HZ3 TRP 119 HZ3 TRP 119 -15.514 -20.051 -13.942 911 HH2 TRP 119 HH2 TRP 119 -15.035 -19.344 -16.231 912 H TYR 120 HN TYR 120 -18.797 -17.418 -10.088 913 HA TYR 120 HA TYR 120 -18.654 -16.533 -7.280 914 1HB TYR 120 HB2 TYR 120 -20.825 -18.241 -8.533 915 2HB TYR 120 HB1 TYR 120 -20.760 -17.691 -6.863 916 HD1 TYR 120 HD2 TYR 120 -21.350 -16.676 -10.343 917 HD2 TYR 120 HD1 TYR 120 -21.378 -15.417 -6.273 918 HE1 TYR 120 HE2 TYR 120 -22.590 -14.657 -10.980 919 HE2 TYR 120 HE1 TYR 120 -22.626 -13.393 -6.906 920 HH TYR 120 HH TYR 120 -24.171 -13.049 -9.837 921 H PHE 121 HN PHE 121 -18.249 -18.098 -5.738 922 HA PHE 121 HA PHE 121 -16.565 -20.251 -6.565 923 1HB PHE 121 HB2 PHE 121 -15.940 -19.113 -4.588 924 2HB PHE 121 HB1 PHE 121 -17.552 -19.244 -3.897 925 HD1 PHE 121 HD1 PHE 121 -14.591 -21.275 -4.887 926 HD2 PHE 121 HD2 PHE 121 -18.069 -20.988 -2.444 927 HE1 PHE 121 HE1 PHE 121 -13.896 -23.290 -3.659 928 HE2 PHE 121 HE2 PHE 121 -17.382 -22.996 -1.218 929 HZ PHE 121 HZ PHE 121 -15.289 -24.154 -1.820 930 H SER 122 HN SER 122 -17.257 -22.158 -7.213 931 HA SER 122 HA SER 122 -19.947 -23.068 -6.500 932 1HB SER 122 HB2 SER 122 -18.045 -24.378 -8.458 933 2HB SER 122 HB1 SER 122 -19.803 -24.511 -8.392 934 HG SER 122 HG SER 122 -19.574 -22.046 -8.740 935 H GLU 123 HN GLU 123 -16.566 -24.146 -6.405 936 HA GLU 123 HA GLU 123 -16.989 -25.789 -4.118 937 1HB GLU 123 HB2 GLU 123 -16.471 -27.967 -5.238 938 2HB GLU 123 HB1 GLU 123 -18.036 -27.298 -5.680 939 1HG GLU 123 HG2 GLU 123 -16.916 -26.363 -7.744 940 2HG GLU 123 HG1 GLU 123 -15.520 -27.353 -7.327 941 H GLY 124 HN GLY 124 -14.999 -26.868 -3.427 942 1HA GLY 124 HA2 GLY 124 -12.537 -26.095 -4.790 943 2HA GLY 124 HA1 GLY 124 -12.818 -25.346 -3.225 944 H GLU 125 HN GLU 125 -11.142 -27.702 -4.617 945 HA GLU 125 HA GLU 125 -11.400 -29.594 -2.362 946 1HB GLU 125 HB2 GLU 125 -10.577 -31.323 -3.933 947 2HB GLU 125 HB1 GLU 125 -12.085 -30.598 -4.482 948 1HG GLU 125 HG2 GLU 125 -10.826 -29.165 -6.030 949 2HG GLU 125 HG1 GLU 125 -9.324 -29.917 -5.494 950 H ALA 126 HN ALA 126 -9.543 -30.182 -1.275 951 HA ALA 126 HA ALA 126 -7.069 -28.825 -1.735 952 1HB ALA 126 HB1 ALA 126 -7.629 -29.608 0.499 953 2HB ALA 126 HB2 ALA 126 -6.158 -30.410 -0.053 954 3HB ALA 126 HB3 ALA 126 -7.695 -31.276 -0.071 955 H VAL 127 HN VAL 127 -5.935 -29.216 -3.548 956 HA VAL 127 HA VAL 127 -6.388 -31.773 -4.916 957 HB VAL 127 HB VAL 127 -7.016 -29.594 -6.021 958 1HG1 VAL 127 HG11 VAL 127 -5.163 -28.212 -5.326 959 2HG1 VAL 127 HG12 VAL 127 -5.191 -28.306 -7.087 960 3HG1 VAL 127 HG13 VAL 127 -4.019 -29.254 -6.174 961 1HG2 VAL 127 HG21 VAL 127 -6.725 -31.649 -7.309 962 2HG2 VAL 127 HG22 VAL 127 -5.002 -31.314 -7.475 963 3HG2 VAL 127 HG23 VAL 127 -6.186 -30.245 -8.228 964 H ASP 128 HN ASP 128 -4.687 -32.787 -6.069 965 HA ASP 128 HA ASP 128 -1.982 -32.292 -5.013 966 1HB ASP 128 HB2 ASP 128 -2.787 -34.587 -4.691 967 2HB ASP 128 HB1 ASP 128 -3.144 -34.727 -6.410 Start of MODEL 17 1 1H MET 1 HT1 MET 1 2.347 1.016 -1.528 2 2H MET 1 HT2 MET 1 3.426 0.295 -0.448 3 3H MET 1 HT3 MET 1 2.536 1.653 0.025 4 HA MET 1 HA MET 1 1.666 -0.393 0.977 5 1HB MET 1 HB2 MET 1 0.155 1.473 0.667 6 2HB MET 1 HB1 MET 1 -0.087 1.057 -1.024 7 1HG MET 1 HG2 MET 1 -1.983 0.435 0.437 8 2HG MET 1 HG1 MET 1 -1.288 -0.930 -0.433 9 1HE MET 1 HE1 MET 1 -0.603 -0.100 4.060 10 2HE MET 1 HE2 MET 1 -1.706 0.840 3.054 11 3HE MET 1 HE3 MET 1 0.035 0.934 2.782 12 H ASN 2 HN ASN 2 0.565 -2.385 0.658 13 HA ASN 2 HA ASN 2 0.734 -3.538 -2.052 14 1HB ASN 2 HB2 ASN 2 1.514 -5.655 -1.142 15 2HB ASN 2 HB1 ASN 2 2.616 -4.383 -0.634 16 1HD2 ASN 2 HD21 ASN 2 2.704 -3.804 1.539 17 2HD2 ASN 2 HD22 ASN 2 2.002 -4.778 2.784 18 H CYS 3 HN CYS 3 -0.394 -6.012 -1.438 19 HA CYS 3 HA CYS 3 -2.836 -5.539 0.086 20 1HB CYS 3 HB2 CYS 3 -3.120 -4.955 -2.463 21 2HB CYS 3 HB1 CYS 3 -3.116 -6.708 -2.673 22 H VAL 4 HN VAL 4 -3.242 -7.328 1.278 23 HA VAL 4 HA VAL 4 -1.816 -9.726 1.044 24 HB VAL 4 HB VAL 4 -3.638 -10.730 2.475 25 1HG1 VAL 4 HG11 VAL 4 -2.466 -8.098 3.389 26 2HG1 VAL 4 HG12 VAL 4 -1.647 -9.660 3.411 27 3HG1 VAL 4 HG13 VAL 4 -3.056 -9.389 4.438 28 1HG2 VAL 4 HG21 VAL 4 -5.519 -9.383 1.659 29 2HG2 VAL 4 HG22 VAL 4 -4.781 -7.929 2.332 30 3HG2 VAL 4 HG23 VAL 4 -5.335 -9.216 3.405 31 H CYS 5 HN CYS 5 -1.797 -10.300 -1.040 32 HA CYS 5 HA CYS 5 -3.807 -11.966 -2.117 33 1HB CYS 5 HB2 CYS 5 -3.535 -9.214 -3.357 34 2HB CYS 5 HB1 CYS 5 -4.329 -10.575 -4.138 35 H GLY 6 HN GLY 6 -3.019 -13.014 -4.061 36 1HA GLY 6 HA2 GLY 6 -0.173 -12.945 -4.419 37 2HA GLY 6 HA1 GLY 6 -1.322 -13.877 -5.371 38 H SER 7 HN SER 7 -0.733 -10.410 -4.816 39 HA SER 7 HA SER 7 -0.206 -9.850 -7.573 40 1HB SER 7 HB2 SER 7 -2.816 -8.871 -6.364 41 2HB SER 7 HB1 SER 7 -2.196 -8.464 -7.964 42 HG SER 7 HG SER 7 -2.184 -10.970 -8.098 43 H GLY 8 HN GLY 8 1.182 -8.181 -7.534 44 1HA GLY 8 HA2 GLY 8 1.693 -6.813 -5.048 45 2HA GLY 8 HA1 GLY 8 2.602 -6.652 -6.541 46 H LYS 9 HN LYS 9 -0.770 -5.982 -5.586 47 HA LYS 9 HA LYS 9 -0.360 -3.185 -6.434 48 1HB LYS 9 HB2 LYS 9 -2.961 -4.722 -6.699 49 2HB LYS 9 HB1 LYS 9 -2.642 -3.081 -7.248 50 1HG LYS 9 HG2 LYS 9 -0.774 -4.249 -8.663 51 2HG LYS 9 HG1 LYS 9 -1.765 -5.681 -8.415 52 1HD LYS 9 HD2 LYS 9 -2.706 -3.074 -9.627 53 2HD LYS 9 HD1 LYS 9 -2.297 -4.532 -10.529 54 1HE LYS 9 HE2 LYS 9 -4.126 -5.732 -9.516 55 2HE LYS 9 HE1 LYS 9 -4.476 -4.376 -8.442 56 1HZ LYS 9 HZ1 LYS 9 -6.000 -4.402 -10.294 57 2HZ LYS 9 HZ2 LYS 9 -4.726 -4.370 -11.402 58 3HZ LYS 9 HZ3 LYS 9 -5.006 -3.038 -10.398 59 H THR 10 HN THR 10 -1.915 -1.675 -5.373 60 HA THR 10 HA THR 10 -1.755 -1.997 -2.566 61 HB THR 10 HB THR 10 -2.959 0.148 -2.424 62 HG1 THR 10 HG1 THR 10 -3.117 0.877 -4.952 63 1HG2 THR 10 HG21 THR 10 -0.545 0.176 -2.861 64 2HG2 THR 10 HG22 THR 10 -1.352 1.526 -3.659 65 3HG2 THR 10 HG23 THR 10 -0.856 0.116 -4.596 66 H TYR 11 HN TYR 11 -3.705 -1.583 -1.127 67 HA TYR 11 HA TYR 11 -5.654 -3.581 -1.383 68 1HB TYR 11 HB2 TYR 11 -5.235 -2.721 0.797 69 2HB TYR 11 HB1 TYR 11 -5.498 -1.061 0.279 70 HD1 TYR 11 HD2 TYR 11 -7.345 -4.308 0.559 71 HD2 TYR 11 HD1 TYR 11 -7.532 -0.059 0.776 72 HE1 TYR 11 HE2 TYR 11 -9.686 -4.447 1.293 73 HE2 TYR 11 HE1 TYR 11 -9.873 -0.192 1.512 74 HH TYR 11 HH TYR 11 -11.765 -1.777 1.357 75 H ASP 12 HN ASP 12 -5.869 -0.084 -1.882 76 HA ASP 12 HA ASP 12 -8.502 0.058 -2.798 77 1HB ASP 12 HB2 ASP 12 -6.122 1.819 -3.450 78 2HB ASP 12 HB1 ASP 12 -7.790 2.226 -3.839 79 H ASP 13 HN ASP 13 -5.484 -0.038 -4.687 80 HA ASP 13 HA ASP 13 -6.615 0.051 -7.229 81 1HB ASP 13 HB2 ASP 13 -4.120 0.187 -6.519 82 2HB ASP 13 HB1 ASP 13 -4.137 -1.568 -6.628 83 H CYS 14 HN CYS 14 -5.683 -2.751 -5.289 84 HA CYS 14 HA CYS 14 -6.623 -4.612 -7.273 85 1HB CYS 14 HB2 CYS 14 -4.759 -5.425 -6.178 86 2HB CYS 14 HB1 CYS 14 -5.277 -4.834 -4.608 87 H CYS 15 HN CYS 15 -7.496 -4.477 -3.784 88 HA CYS 15 HA CYS 15 -9.901 -5.948 -4.352 89 1HB CYS 15 HB2 CYS 15 -8.701 -4.865 -1.818 90 2HB CYS 15 HB1 CYS 15 -10.315 -5.568 -1.841 91 H GLY 16 HN GLY 16 -9.194 -2.565 -4.117 92 1HA GLY 16 HA2 GLY 16 -11.388 -1.557 -2.776 93 2HA GLY 16 HA1 GLY 16 -10.523 -0.697 -4.033 94 HA PRO 17 HA PRO 17 -13.955 -1.012 -6.803 95 1HB PRO 17 HB2 PRO 17 -13.188 -2.345 -9.057 96 2HB PRO 17 HB1 PRO 17 -12.639 -0.712 -8.665 97 1HG PRO 17 HG2 PRO 17 -11.231 -3.327 -8.273 98 2HG PRO 17 HG1 PRO 17 -10.585 -1.786 -8.868 99 1HD PRO 17 HD2 PRO 17 -10.217 -2.635 -6.319 100 2HD PRO 17 HD1 PRO 17 -10.357 -0.916 -6.741 101 H LEU 18 HN LEU 18 -12.474 -4.101 -6.142 102 HA LEU 18 HA LEU 18 -14.654 -5.696 -7.106 103 1HB LEU 18 HB2 LEU 18 -12.171 -6.276 -5.511 104 2HB LEU 18 HB1 LEU 18 -13.418 -7.495 -5.678 105 HG LEU 18 HG LEU 18 -11.684 -7.903 -7.306 106 1HD1 LEU 18 HD11 LEU 18 -13.970 -8.405 -7.971 107 2HD1 LEU 18 HD12 LEU 18 -12.999 -7.908 -9.356 108 3HD1 LEU 18 HD13 LEU 18 -14.147 -6.780 -8.636 109 1HD2 LEU 18 HD21 LEU 18 -12.209 -5.112 -8.338 110 2HD2 LEU 18 HD22 LEU 18 -11.138 -6.307 -9.072 111 3HD2 LEU 18 HD23 LEU 18 -10.764 -5.648 -7.479 112 H LEU 19 HN LEU 19 -13.509 -4.701 -3.908 113 HA LEU 19 HA LEU 19 -15.393 -6.113 -2.383 114 1HB LEU 19 HB2 LEU 19 -13.656 -3.722 -1.861 115 2HB LEU 19 HB1 LEU 19 -14.830 -4.229 -0.660 116 HG LEU 19 HG LEU 19 -12.720 -6.102 -1.744 117 1HD1 LEU 19 HD11 LEU 19 -11.598 -4.183 -0.729 118 2HD1 LEU 19 HD12 LEU 19 -11.419 -5.625 0.269 119 3HD1 LEU 19 HD13 LEU 19 -12.574 -4.373 0.728 120 1HD2 LEU 19 HD21 LEU 19 -13.186 -7.356 0.295 121 2HD2 LEU 19 HD22 LEU 19 -14.647 -7.152 -0.669 122 3HD2 LEU 19 HD23 LEU 19 -14.395 -6.161 0.768 123 H ALA 20 HN ALA 20 -15.547 -2.994 -3.971 124 HA ALA 20 HA ALA 20 -18.065 -2.281 -2.723 125 1HB ALA 20 HB1 ALA 20 -16.583 -0.965 -5.004 126 2HB ALA 20 HB2 ALA 20 -16.431 -0.547 -3.297 127 3HB ALA 20 HB3 ALA 20 -17.962 -0.291 -4.134 128 H ARG 21 HN ARG 21 -17.197 -4.370 -5.143 129 HA ARG 21 HA ARG 21 -18.233 -5.423 -6.853 130 1HB ARG 21 HB2 ARG 21 -20.619 -4.552 -5.226 131 2HB ARG 21 HB1 ARG 21 -20.817 -5.459 -6.719 132 1HG ARG 21 HG2 ARG 21 -20.875 -7.088 -5.056 133 2HG ARG 21 HG1 ARG 21 -19.232 -7.182 -5.684 134 1HD ARG 21 HD2 ARG 21 -18.695 -7.153 -3.486 135 2HD ARG 21 HD1 ARG 21 -18.856 -5.409 -3.686 136 HE ARG 21 HE ARG 21 -21.376 -6.305 -3.035 137 1HH1 ARG 21 HH11 ARG 21 -18.223 -6.210 -1.537 138 2HH1 ARG 21 HH12 ARG 21 -18.832 -6.393 0.075 139 1HH2 ARG 21 HH21 ARG 21 -22.196 -6.546 -0.893 140 2HH2 ARG 21 HH22 ARG 21 -21.085 -6.603 0.440 141 H THR 22 HN THR 22 -17.770 -2.381 -6.928 142 HA THR 22 HA THR 22 -19.674 -1.428 -8.860 143 HB THR 22 HB THR 22 -18.524 0.132 -7.314 144 HG1 THR 22 HG1 THR 22 -17.926 1.673 -8.981 145 1HG2 THR 22 HG21 THR 22 -16.322 -0.942 -7.234 146 2HG2 THR 22 HG22 THR 22 -16.180 0.753 -7.702 147 3HG2 THR 22 HG23 THR 22 -16.043 -0.512 -8.922 148 H ARG 23 HN ARG 23 -16.777 -3.253 -8.894 149 HA ARG 23 HA ARG 23 -16.882 -3.324 -11.836 150 1HB ARG 23 HB2 ARG 23 -14.870 -2.075 -11.198 151 2HB ARG 23 HB1 ARG 23 -14.384 -3.373 -10.114 152 1HG ARG 23 HG2 ARG 23 -14.241 -4.885 -12.100 153 2HG ARG 23 HG1 ARG 23 -14.545 -3.481 -13.125 154 1HD ARG 23 HD2 ARG 23 -12.522 -2.407 -12.244 155 2HD ARG 23 HD1 ARG 23 -12.222 -3.811 -11.218 156 HE ARG 23 HE ARG 23 -11.987 -3.702 -14.147 157 1HH1 ARG 23 HH11 ARG 23 -11.551 -5.485 -11.162 158 2HH1 ARG 23 HH12 ARG 23 -10.531 -6.687 -11.884 159 1HH2 ARG 23 HH21 ARG 23 -10.614 -5.273 -15.083 160 2HH2 ARG 23 HH22 ARG 23 -9.987 -6.557 -14.098 161 H SER 24 HN SER 24 -17.177 -5.321 -12.602 162 HA SER 24 HA SER 24 -16.974 -7.610 -10.823 163 1HB SER 24 HB2 SER 24 -17.822 -8.856 -12.865 164 2HB SER 24 HB1 SER 24 -18.896 -7.589 -12.272 165 HG SER 24 HG SER 24 -17.062 -6.734 -14.146 166 H ALA 25 HN ALA 25 -15.227 -8.898 -10.711 167 HA ALA 25 HA ALA 25 -12.776 -8.311 -11.816 168 1HB ALA 25 HB1 ALA 25 -12.091 -10.585 -11.162 169 2HB ALA 25 HB2 ALA 25 -13.785 -11.016 -10.922 170 3HB ALA 25 HB3 ALA 25 -13.033 -9.786 -9.904 171 H ALA 26 HN ALA 26 -15.294 -10.417 -13.073 172 HA ALA 26 HA ALA 26 -15.729 -11.252 -15.132 173 1HB ALA 26 HB1 ALA 26 -14.820 -10.106 -17.083 174 2HB ALA 26 HB2 ALA 26 -13.638 -9.283 -16.063 175 3HB ALA 26 HB3 ALA 26 -15.359 -8.948 -15.867 176 H SER 27 HN SER 27 -13.290 -12.113 -13.431 177 HA SER 27 HA SER 27 -12.522 -14.253 -15.176 178 1HB SER 27 HB2 SER 27 -10.045 -13.774 -14.901 179 2HB SER 27 HB1 SER 27 -10.904 -12.670 -15.974 180 HG SER 27 HG SER 27 -9.500 -12.099 -13.788 181 HA PRO 28 HA PRO 28 -12.756 -16.317 -11.358 182 1HB PRO 28 HB2 PRO 28 -11.054 -18.442 -11.773 183 2HB PRO 28 HB1 PRO 28 -12.684 -18.328 -12.444 184 1HG PRO 28 HG2 PRO 28 -10.054 -17.721 -13.743 185 2HG PRO 28 HG1 PRO 28 -11.466 -18.562 -14.411 186 1HD PRO 28 HD2 PRO 28 -10.934 -15.989 -15.007 187 2HD PRO 28 HD1 PRO 28 -12.600 -16.583 -14.840 188 H GLU 29 HN GLU 29 -9.360 -16.127 -12.471 189 HA GLU 29 HA GLU 29 -8.279 -16.501 -9.882 190 1HB GLU 29 HB2 GLU 29 -6.148 -15.522 -11.012 191 2HB GLU 29 HB1 GLU 29 -6.769 -17.079 -11.528 192 1HG GLU 29 HG2 GLU 29 -6.128 -15.876 -13.468 193 2HG GLU 29 HG1 GLU 29 -7.885 -15.936 -13.440 194 H ALA 30 HN ALA 30 -9.277 -13.642 -11.628 195 HA ALA 30 HA ALA 30 -8.064 -11.750 -9.890 196 1HB ALA 30 HB1 ALA 30 -8.831 -11.141 -12.127 197 2HB ALA 30 HB2 ALA 30 -9.593 -10.128 -10.899 198 3HB ALA 30 HB3 ALA 30 -10.500 -11.444 -11.645 199 H LEU 31 HN LEU 31 -11.318 -13.110 -10.092 200 HA LEU 31 HA LEU 31 -12.449 -11.799 -7.884 201 1HB LEU 31 HB2 LEU 31 -13.613 -13.064 -9.741 202 2HB LEU 31 HB1 LEU 31 -13.140 -14.550 -8.949 203 HG LEU 31 HG LEU 31 -15.522 -13.788 -8.593 204 1HD1 LEU 31 HD11 LEU 31 -15.610 -14.444 -6.262 205 2HD1 LEU 31 HD12 LEU 31 -13.876 -14.173 -6.098 206 3HD1 LEU 31 HD13 LEU 31 -14.473 -15.458 -7.149 207 1HD2 LEU 31 HD21 LEU 31 -15.078 -11.402 -8.325 208 2HD2 LEU 31 HD22 LEU 31 -14.212 -11.725 -6.822 209 3HD2 LEU 31 HD23 LEU 31 -15.941 -12.055 -6.934 210 H MET 32 HN MET 32 -10.567 -14.727 -8.182 211 HA MET 32 HA MET 32 -11.026 -15.782 -5.618 212 1HB MET 32 HB2 MET 32 -10.133 -17.123 -7.451 213 2HB MET 32 HB1 MET 32 -8.663 -16.162 -7.468 214 1HG MET 32 HG2 MET 32 -9.512 -17.693 -5.028 215 2HG MET 32 HG1 MET 32 -8.596 -18.451 -6.328 216 1HE MET 32 HE1 MET 32 -5.277 -16.411 -6.316 217 2HE MET 32 HE2 MET 32 -6.707 -16.112 -7.304 218 3HE MET 32 HE3 MET 32 -6.157 -17.765 -7.024 219 H ARG 33 HN ARG 33 -8.331 -13.711 -6.807 220 HA ARG 33 HA ARG 33 -7.044 -13.765 -4.255 221 1HB ARG 33 HB2 ARG 33 -5.335 -12.501 -5.136 222 2HB ARG 33 HB1 ARG 33 -5.964 -13.278 -6.580 223 1HG ARG 33 HG2 ARG 33 -7.277 -10.734 -6.033 224 2HG ARG 33 HG1 ARG 33 -5.534 -10.568 -6.215 225 1HD ARG 33 HD2 ARG 33 -6.981 -12.232 -8.205 226 2HD ARG 33 HD1 ARG 33 -7.200 -10.489 -8.272 227 HE ARG 33 HE ARG 33 -4.584 -10.558 -8.226 228 1HH1 ARG 33 HH11 ARG 33 -6.675 -12.785 -9.902 229 2HH1 ARG 33 HH12 ARG 33 -5.588 -13.014 -11.231 230 1HH2 ARG 33 HH21 ARG 33 -3.122 -10.871 -9.961 231 2HH2 ARG 33 HH22 ARG 33 -3.567 -11.925 -11.265 232 H SER 34 HN SER 34 -9.453 -11.730 -5.716 233 HA SER 34 HA SER 34 -9.086 -9.481 -4.003 234 1HB SER 34 HB2 SER 34 -11.367 -8.819 -4.817 235 2HB SER 34 HB1 SER 34 -10.228 -9.178 -6.114 236 HG SER 34 HG SER 34 -12.596 -10.312 -5.611 237 H ARG 35 HN ARG 35 -11.224 -12.300 -3.962 238 HA ARG 35 HA ARG 35 -12.606 -11.488 -1.603 239 1HB ARG 35 HB2 ARG 35 -13.792 -13.516 -1.752 240 2HB ARG 35 HB1 ARG 35 -13.465 -13.058 -3.415 241 1HG ARG 35 HG2 ARG 35 -11.499 -14.638 -3.345 242 2HG ARG 35 HG1 ARG 35 -12.117 -15.206 -1.793 243 1HD ARG 35 HD2 ARG 35 -13.338 -15.456 -4.524 244 2HD ARG 35 HD1 ARG 35 -13.008 -16.719 -3.339 245 HE ARG 35 HE ARG 35 -15.182 -14.725 -3.123 246 1HH1 ARG 35 HH11 ARG 35 -13.851 -17.872 -2.353 247 2HH1 ARG 35 HH12 ARG 35 -15.327 -18.467 -1.670 248 1HH2 ARG 35 HH21 ARG 35 -17.116 -15.492 -2.236 249 2HH2 ARG 35 HH22 ARG 35 -17.206 -17.113 -1.616 250 H TYR 36 HN TYR 36 -9.760 -13.465 -2.237 251 HA TYR 36 HA TYR 36 -9.394 -14.691 0.217 252 1HB TYR 36 HB2 TYR 36 -7.844 -15.220 -1.512 253 2HB TYR 36 HB1 TYR 36 -7.386 -13.533 -1.725 254 HD1 TYR 36 HD1 TYR 36 -7.225 -16.335 0.741 255 HD2 TYR 36 HD2 TYR 36 -5.516 -12.667 -0.597 256 HE1 TYR 36 HE1 TYR 36 -5.359 -16.633 2.313 257 HE2 TYR 36 HE2 TYR 36 -3.646 -12.963 0.973 258 HH TYR 36 HH TYR 36 -3.123 -14.137 3.018 259 H ALA 37 HN ALA 37 -8.540 -11.397 -0.755 260 HA ALA 37 HA ALA 37 -7.262 -10.621 1.622 261 1HB ALA 37 HB1 ALA 37 -7.067 -9.367 -0.472 262 2HB ALA 37 HB2 ALA 37 -7.592 -8.329 0.854 263 3HB ALA 37 HB3 ALA 37 -8.760 -8.887 -0.346 264 H ALA 38 HN ALA 38 -10.648 -10.631 0.665 265 HA ALA 38 HA ALA 38 -11.688 -9.018 2.707 266 1HB ALA 38 HB1 ALA 38 -13.843 -10.063 2.213 267 2HB ALA 38 HB2 ALA 38 -13.027 -11.329 1.294 268 3HB ALA 38 HB3 ALA 38 -12.980 -9.660 0.729 269 H TYR 39 HN TYR 39 -10.920 -12.470 2.620 270 HA TYR 39 HA TYR 39 -11.962 -13.175 5.133 271 1HB TYR 39 HB2 TYR 39 -9.985 -14.342 3.264 272 2HB TYR 39 HB1 TYR 39 -9.768 -14.802 4.949 273 HD1 TYR 39 HD2 TYR 39 -12.102 -14.894 2.096 274 HD2 TYR 39 HD1 TYR 39 -11.308 -16.284 6.039 275 HE1 TYR 39 HE2 TYR 39 -13.913 -16.534 1.880 276 HE2 TYR 39 HE1 TYR 39 -13.116 -17.938 5.827 277 HH TYR 39 HH TYR 39 -15.188 -18.226 4.507 278 H ALA 40 HN ALA 40 -8.764 -11.961 4.199 279 HA ALA 40 HA ALA 40 -7.682 -11.970 6.829 280 1HB ALA 40 HB1 ALA 40 -5.870 -10.631 5.871 281 2HB ALA 40 HB2 ALA 40 -6.823 -10.378 4.407 282 3HB ALA 40 HB3 ALA 40 -6.268 -11.999 4.829 283 H LEU 41 HN LEU 41 -9.862 -9.899 5.213 284 HA LEU 41 HA LEU 41 -9.374 -7.650 7.036 285 1HB LEU 41 HB2 LEU 41 -11.180 -7.892 4.622 286 2HB LEU 41 HB1 LEU 41 -10.976 -6.438 5.582 287 HG LEU 41 HG LEU 41 -8.784 -7.785 3.992 288 1HD1 LEU 41 HD11 LEU 41 -10.350 -5.274 3.409 289 2HD1 LEU 41 HD12 LEU 41 -10.472 -6.803 2.538 290 3HD1 LEU 41 HD13 LEU 41 -8.975 -5.874 2.482 291 1HD2 LEU 41 HD21 LEU 41 -7.500 -5.751 4.468 292 2HD2 LEU 41 HD22 LEU 41 -7.922 -6.610 5.948 293 3HD2 LEU 41 HD23 LEU 41 -8.813 -5.159 5.487 294 H LYS 42 HN LYS 42 -11.028 -10.428 7.215 295 HA LYS 42 HA LYS 42 -12.643 -11.185 8.632 296 1HB LYS 42 HB2 LYS 42 -11.745 -9.475 10.211 297 2HB LYS 42 HB1 LYS 42 -12.869 -8.302 9.548 298 1HG LYS 42 HG2 LYS 42 -13.807 -9.052 11.576 299 2HG LYS 42 HG1 LYS 42 -14.736 -9.824 10.291 300 1HD LYS 42 HD2 LYS 42 -14.252 -11.411 12.083 301 2HD LYS 42 HD1 LYS 42 -13.433 -11.887 10.593 302 1HE LYS 42 HE2 LYS 42 -11.973 -12.143 12.547 303 2HE LYS 42 HE1 LYS 42 -11.341 -10.945 11.420 304 1HZ LYS 42 HZ1 LYS 42 -12.764 -10.408 13.968 305 2HZ LYS 42 HZ2 LYS 42 -12.321 -9.214 12.860 306 3HZ LYS 42 HZ3 LYS 42 -11.130 -10.122 13.639 307 H ASP 43 HN ASP 43 -13.115 -9.406 6.016 308 HA ASP 43 HA ASP 43 -15.943 -8.784 6.372 309 1HB ASP 43 HB2 ASP 43 -14.366 -7.156 5.280 310 2HB ASP 43 HB1 ASP 43 -14.205 -8.286 3.941 311 H PHE 44 HN PHE 44 -16.533 -11.057 6.555 312 HA PHE 44 HA PHE 44 -16.299 -12.756 4.268 313 1HB PHE 44 HB2 PHE 44 -17.915 -14.235 5.433 314 2HB PHE 44 HB1 PHE 44 -16.527 -13.808 6.419 315 HD1 PHE 44 HD1 PHE 44 -20.145 -13.295 5.932 316 HD2 PHE 44 HD2 PHE 44 -16.785 -12.577 8.456 317 HE1 PHE 44 HE1 PHE 44 -21.656 -12.617 7.750 318 HE2 PHE 44 HE2 PHE 44 -18.295 -11.892 10.273 319 HZ PHE 44 HZ PHE 44 -20.733 -11.912 9.923 320 H ASP 45 HN ASP 45 -18.164 -10.078 4.914 321 HA ASP 45 HA ASP 45 -20.625 -10.587 3.704 322 1HB ASP 45 HB2 ASP 45 -20.150 -8.520 4.933 323 2HB ASP 45 HB1 ASP 45 -18.984 -8.035 3.708 324 H TYR 46 HN TYR 46 -17.628 -9.323 2.231 325 HA TYR 46 HA TYR 46 -18.628 -9.315 -0.419 326 1HB TYR 46 HB2 TYR 46 -16.704 -7.963 0.144 327 2HB TYR 46 HB1 TYR 46 -15.783 -9.381 0.629 328 HD1 TYR 46 HD1 TYR 46 -17.652 -8.172 -2.395 329 HD2 TYR 46 HD2 TYR 46 -14.175 -10.105 -0.870 330 HE1 TYR 46 HE1 TYR 46 -16.745 -8.337 -4.673 331 HE2 TYR 46 HE2 TYR 46 -13.266 -10.272 -3.146 332 HH TYR 46 HH TYR 46 -14.715 -8.639 -5.829 333 H ILE 47 HN ILE 47 -17.117 -11.757 1.567 334 HA ILE 47 HA ILE 47 -16.420 -13.603 -0.441 335 HB ILE 47 HB ILE 47 -17.247 -14.179 2.413 336 1HG1 ILE 47 HG12 ILE 47 -15.375 -12.634 2.336 337 2HG1 ILE 47 HG11 ILE 47 -14.795 -14.220 2.838 338 1HG2 ILE 47 HG21 ILE 47 -17.349 -16.180 1.010 339 2HG2 ILE 47 HG22 ILE 47 -16.002 -16.279 2.146 340 3HG2 ILE 47 HG23 ILE 47 -15.701 -15.887 0.452 341 1HD1 ILE 47 HD11 ILE 47 -13.278 -13.169 1.270 342 2HD1 ILE 47 HD12 ILE 47 -14.569 -13.055 0.074 343 3HD1 ILE 47 HD13 ILE 47 -13.975 -14.636 0.586 344 H VAL 48 HN VAL 48 -19.241 -13.626 1.727 345 HA VAL 48 HA VAL 48 -20.583 -15.750 0.538 346 HB VAL 48 HB VAL 48 -21.197 -14.825 2.733 347 1HG1 VAL 48 HG11 VAL 48 -22.588 -12.816 2.918 348 2HG1 VAL 48 HG12 VAL 48 -22.388 -12.520 1.190 349 3HG1 VAL 48 HG13 VAL 48 -20.991 -12.452 2.264 350 1HG2 VAL 48 HG21 VAL 48 -22.795 -16.246 1.561 351 2HG2 VAL 48 HG22 VAL 48 -23.500 -14.831 0.779 352 3HG2 VAL 48 HG23 VAL 48 -23.627 -15.028 2.528 353 H GLU 49 HN GLU 49 -20.574 -12.324 -0.302 354 HA GLU 49 HA GLU 49 -22.620 -12.427 -2.260 355 1HB GLU 49 HB2 GLU 49 -20.316 -10.519 -1.848 356 2HB GLU 49 HB1 GLU 49 -21.515 -10.304 -3.116 357 1HG GLU 49 HG2 GLU 49 -22.037 -10.345 -0.149 358 2HG GLU 49 HG1 GLU 49 -22.050 -8.930 -1.201 359 H THR 50 HN THR 50 -19.208 -13.188 -2.363 360 HA THR 50 HA THR 50 -19.290 -13.475 -5.281 361 HB THR 50 HB THR 50 -16.816 -13.910 -5.040 362 HG1 THR 50 HG1 THR 50 -16.977 -12.803 -2.455 363 1HG2 THR 50 HG21 THR 50 -17.850 -11.289 -3.941 364 2HG2 THR 50 HG22 THR 50 -17.677 -11.700 -5.649 365 3HG2 THR 50 HG23 THR 50 -16.247 -11.559 -4.625 366 H THR 51 HN THR 51 -20.574 -15.299 -3.241 367 HA THR 51 HA THR 51 -19.266 -17.811 -4.070 368 HB THR 51 HB THR 51 -21.112 -17.330 -1.714 369 HG1 THR 51 HG1 THR 51 -19.171 -16.478 -1.161 370 1HG2 THR 51 HG21 THR 51 -20.492 -19.610 -1.039 371 2HG2 THR 51 HG22 THR 51 -19.553 -19.798 -2.520 372 3HG2 THR 51 HG23 THR 51 -21.306 -19.610 -2.603 373 H ASP 52 HN ASP 52 -20.442 -19.272 -5.245 374 HA ASP 52 HA ASP 52 -22.721 -18.684 -6.672 375 1HB ASP 52 HB2 ASP 52 -21.439 -21.250 -5.804 376 2HB ASP 52 HB1 ASP 52 -23.053 -21.338 -6.493 377 HA PRO 53 HA PRO 53 -26.049 -18.501 -3.694 378 1HB PRO 53 HB2 PRO 53 -28.014 -19.572 -5.402 379 2HB PRO 53 HB1 PRO 53 -27.613 -17.863 -5.222 380 1HG PRO 53 HG2 PRO 53 -26.723 -19.810 -7.302 381 2HG PRO 53 HG1 PRO 53 -27.099 -18.084 -7.464 382 1HD PRO 53 HD2 PRO 53 -24.567 -18.956 -7.441 383 2HD PRO 53 HD1 PRO 53 -25.016 -17.429 -6.649 384 H GLU 54 HN GLU 54 -25.675 -21.364 -5.729 385 HA GLU 54 HA GLU 54 -27.106 -23.199 -4.185 386 1HB GLU 54 HB2 GLU 54 -24.726 -23.633 -6.005 387 2HB GLU 54 HB1 GLU 54 -25.757 -24.918 -5.387 388 1HG GLU 54 HG2 GLU 54 -27.668 -24.001 -6.562 389 2HG GLU 54 HG1 GLU 54 -26.701 -22.635 -7.118 390 H ARG 55 HN ARG 55 -23.877 -21.941 -3.803 391 HA ARG 55 HA ARG 55 -23.291 -23.843 -1.639 392 1HB ARG 55 HB2 ARG 55 -21.542 -21.761 -2.974 393 2HB ARG 55 HB1 ARG 55 -21.008 -22.869 -1.721 394 1HG ARG 55 HG2 ARG 55 -21.996 -23.657 -4.453 395 2HG ARG 55 HG1 ARG 55 -20.312 -23.584 -3.943 396 1HD ARG 55 HD2 ARG 55 -20.897 -25.272 -2.153 397 2HD ARG 55 HD1 ARG 55 -22.461 -25.456 -2.950 398 HE ARG 55 HE ARG 55 -20.518 -25.807 -4.901 399 1HH1 ARG 55 HH11 ARG 55 -21.487 -27.390 -1.935 400 2HH1 ARG 55 HH12 ARG 55 -20.944 -28.957 -2.441 401 1HH2 ARG 55 HH21 ARG 55 -19.772 -27.867 -5.569 402 2HH2 ARG 55 HH22 ARG 55 -19.938 -29.224 -4.496 403 H ARG 56 HN ARG 56 -24.205 -20.604 -2.268 404 HA ARG 56 HA ARG 56 -23.231 -19.294 0.029 405 1HB ARG 56 HB2 ARG 56 -24.005 -18.170 -2.052 406 2HB ARG 56 HB1 ARG 56 -25.655 -18.640 -1.670 407 1HG ARG 56 HG2 ARG 56 -25.597 -17.265 0.342 408 2HG ARG 56 HG1 ARG 56 -23.923 -16.822 -0.003 409 1HD ARG 56 HD2 ARG 56 -26.359 -16.163 -1.663 410 2HD ARG 56 HD1 ARG 56 -25.377 -15.039 -0.723 411 HE ARG 56 HE ARG 56 -23.907 -16.471 -2.749 412 1HH1 ARG 56 HH11 ARG 56 -25.823 -13.612 -2.075 413 2HH1 ARG 56 HH12 ARG 56 -25.163 -12.718 -3.407 414 1HH2 ARG 56 HH21 ARG 56 -23.056 -15.286 -4.497 415 2HH2 ARG 56 HH22 ARG 56 -23.591 -13.654 -4.769 416 H ASP 57 HN ASP 57 -26.135 -21.075 -0.699 417 HA ASP 57 HA ASP 57 -27.666 -20.462 1.574 418 1HB ASP 57 HB2 ASP 57 -28.573 -21.524 -0.453 419 2HB ASP 57 HB1 ASP 57 -27.633 -22.975 -0.123 420 H LEU 58 HN LEU 58 -24.960 -22.573 1.114 421 HA LEU 58 HA LEU 58 -25.475 -24.102 3.546 422 1HB LEU 58 HB2 LEU 58 -23.211 -24.291 1.550 423 2HB LEU 58 HB1 LEU 58 -23.512 -25.412 2.866 424 HG LEU 58 HG LEU 58 -25.349 -24.958 0.504 425 1HD1 LEU 58 HD11 LEU 58 -23.293 -26.082 -0.151 426 2HD1 LEU 58 HD12 LEU 58 -24.657 -27.198 -0.196 427 3HD1 LEU 58 HD13 LEU 58 -23.508 -27.264 1.141 428 1HD2 LEU 58 HD21 LEU 58 -26.550 -26.932 1.358 429 2HD2 LEU 58 HD22 LEU 58 -26.599 -25.584 2.492 430 3HD2 LEU 58 HD23 LEU 58 -25.508 -26.939 2.782 431 H PHE 59 HN PHE 59 -24.019 -21.210 2.781 432 HA PHE 59 HA PHE 59 -21.651 -21.352 4.364 433 1HB PHE 59 HB2 PHE 59 -23.110 -19.249 2.869 434 2HB PHE 59 HB1 PHE 59 -22.137 -18.680 4.219 435 HD1 PHE 59 HD1 PHE 59 -21.171 -21.638 2.248 436 HD2 PHE 59 HD2 PHE 59 -20.627 -17.448 2.824 437 HE1 PHE 59 HE1 PHE 59 -19.151 -21.707 0.846 438 HE2 PHE 59 HE2 PHE 59 -18.608 -17.516 1.425 439 HZ PHE 59 HZ PHE 59 -17.864 -19.647 0.434 440 H ASP 60 HN ASP 60 -21.235 -20.651 6.405 441 HA ASP 60 HA ASP 60 -23.525 -19.790 8.066 442 1HB ASP 60 HB2 ASP 60 -21.062 -21.345 8.922 443 2HB ASP 60 HB1 ASP 60 -22.345 -20.797 9.994 444 H HIS 61 HN HIS 61 -23.313 -17.859 9.040 445 HA HIS 61 HA HIS 61 -21.298 -16.067 8.266 446 1HB HIS 61 HB2 HIS 61 -23.051 -15.794 10.722 447 2HB HIS 61 HB1 HIS 61 -22.295 -14.494 9.806 448 HD1 HIS 61 HD1 HIS 61 -25.310 -16.582 9.983 449 HD2 HIS 61 HD2 HIS 61 -23.515 -14.046 7.217 450 HE1 HIS 61 HE1 HIS 61 -27.088 -16.069 8.279 451 HE2 HIS 61 HE2 HIS 61 -25.965 -14.589 6.580 452 H ASP 62 HN ASP 62 -21.807 -17.735 11.356 453 HA ASP 62 HA ASP 62 -19.578 -16.587 12.675 454 1HB ASP 62 HB2 ASP 62 -21.020 -19.173 13.327 455 2HB ASP 62 HB1 ASP 62 -19.979 -18.260 14.415 456 H VAL 63 HN VAL 63 -20.070 -19.755 11.143 457 HA VAL 63 HA VAL 63 -17.525 -20.801 11.728 458 HB VAL 63 HB VAL 63 -19.359 -21.495 9.417 459 1HG1 VAL 63 HG11 VAL 63 -18.179 -23.647 9.368 460 2HG1 VAL 63 HG12 VAL 63 -17.068 -23.067 10.609 461 3HG1 VAL 63 HG13 VAL 63 -17.091 -22.303 9.019 462 1HG2 VAL 63 HG21 VAL 63 -19.114 -22.729 12.167 463 2HG2 VAL 63 HG22 VAL 63 -20.129 -23.335 10.857 464 3HG2 VAL 63 HG23 VAL 63 -20.463 -21.759 11.575 465 H ASN 64 HN ASN 64 -18.723 -18.860 9.044 466 HA ASN 64 HA ASN 64 -16.537 -19.016 7.314 467 1HB ASN 64 HB2 ASN 64 -18.831 -17.880 6.951 468 2HB ASN 64 HB1 ASN 64 -18.130 -16.482 7.753 469 1HD2 ASN 64 HD21 ASN 64 -19.109 -16.769 5.034 470 2HD2 ASN 64 HD22 ASN 64 -17.787 -16.365 4.000 471 H ARG 65 HN ARG 65 -17.209 -16.776 9.971 472 HA ARG 65 HA ARG 65 -14.739 -15.388 9.879 473 1HB ARG 65 HB2 ARG 65 -16.611 -14.386 11.007 474 2HB ARG 65 HB1 ARG 65 -16.780 -15.771 12.079 475 1HG ARG 65 HG2 ARG 65 -14.651 -15.225 13.141 476 2HG ARG 65 HG1 ARG 65 -14.448 -13.854 12.049 477 1HD ARG 65 HD2 ARG 65 -16.777 -14.171 13.945 478 2HD ARG 65 HD1 ARG 65 -15.311 -13.270 14.332 479 HE ARG 65 HE ARG 65 -16.009 -12.032 12.116 480 1HH1 ARG 65 HH11 ARG 65 -18.103 -13.123 14.702 481 2HH1 ARG 65 HH12 ARG 65 -19.219 -11.806 14.521 482 1HH2 ARG 65 HH21 ARG 65 -17.472 -10.278 11.892 483 2HH2 ARG 65 HH22 ARG 65 -18.845 -10.181 12.950 484 H ALA 66 HN ALA 66 -15.861 -18.226 11.652 485 HA ALA 66 HA ALA 66 -13.800 -18.547 13.463 486 1HB ALA 66 HB1 ALA 66 -14.441 -20.887 13.597 487 2HB ALA 66 HB2 ALA 66 -15.311 -20.761 12.067 488 3HB ALA 66 HB3 ALA 66 -15.876 -19.868 13.480 489 H TRP 67 HN TRP 67 -13.926 -19.494 10.066 490 HA TRP 67 HA TRP 67 -11.635 -21.082 9.973 491 1HB TRP 67 HB2 TRP 67 -12.863 -19.309 7.849 492 2HB TRP 67 HB1 TRP 67 -11.531 -20.417 7.535 493 HD1 TRP 67 HD1 TRP 67 -12.713 -22.876 9.311 494 HE1 TRP 67 HE1 TRP 67 -14.676 -24.232 8.346 495 HE3 TRP 67 HE3 TRP 67 -14.486 -19.465 5.932 496 HZ2 TRP 67 HZ2 TRP 67 -16.701 -23.905 6.416 497 HZ3 TRP 67 HZ3 TRP 67 -16.440 -20.071 4.563 498 HH2 TRP 67 HH2 TRP 67 -17.523 -22.246 4.801 499 H MET 68 HN MET 68 -11.909 -17.556 9.359 500 HA MET 68 HA MET 68 -9.103 -17.253 8.940 501 1HB MET 68 HB2 MET 68 -9.473 -14.885 8.896 502 2HB MET 68 HB1 MET 68 -10.819 -15.649 8.067 503 1HG MET 68 HG2 MET 68 -12.304 -15.201 9.824 504 2HG MET 68 HG1 MET 68 -10.999 -14.859 10.958 505 1HE MET 68 HE1 MET 68 -9.669 -11.412 9.663 506 2HE MET 68 HE2 MET 68 -9.075 -13.008 9.204 507 3HE MET 68 HE3 MET 68 -9.502 -12.674 10.883 508 H GLU 69 HN GLU 69 -11.172 -17.127 11.741 509 HA GLU 69 HA GLU 69 -9.538 -15.757 13.539 510 1HB GLU 69 HB2 GLU 69 -11.515 -18.000 14.006 511 2HB GLU 69 HB1 GLU 69 -10.785 -17.055 15.298 512 1HG GLU 69 HG2 GLU 69 -12.383 -15.822 13.067 513 2HG GLU 69 HG1 GLU 69 -13.103 -16.361 14.579 514 H GLU 70 HN GLU 70 -9.647 -19.216 12.750 515 HA GLU 70 HA GLU 70 -7.285 -19.676 14.438 516 1HB GLU 70 HB2 GLU 70 -7.792 -22.073 14.147 517 2HB GLU 70 HB1 GLU 70 -9.148 -21.186 14.830 518 1HG GLU 70 HG2 GLU 70 -10.235 -21.148 12.639 519 2HG GLU 70 HG1 GLU 70 -8.870 -22.023 11.945 520 H SER 71 HN SER 71 -7.608 -18.530 11.544 521 HA SER 71 HA SER 71 -5.195 -19.825 10.543 522 1HB SER 71 HB2 SER 71 -7.073 -21.054 9.478 523 2HB SER 71 HB1 SER 71 -7.696 -19.534 8.842 524 HG SER 71 HG SER 71 -5.884 -19.346 7.559 525 H ASP 72 HN ASP 72 -4.321 -17.799 11.242 526 HA ASP 72 HA ASP 72 -5.243 -15.286 10.285 527 1HB ASP 72 HB2 ASP 72 -3.825 -15.647 12.340 528 2HB ASP 72 HB1 ASP 72 -2.461 -15.979 11.280 529 H PHE 73 HN PHE 73 -5.337 -15.012 8.113 530 HA PHE 73 HA PHE 73 -3.543 -16.245 6.290 531 1HB PHE 73 HB2 PHE 73 -5.563 -14.034 5.858 532 2HB PHE 73 HB1 PHE 73 -4.714 -14.880 4.567 533 HD1 PHE 73 HD2 PHE 73 -5.002 -17.434 4.450 534 HD2 PHE 73 HD1 PHE 73 -7.585 -14.878 6.677 535 HE1 PHE 73 HE2 PHE 73 -6.733 -19.181 4.443 536 HE2 PHE 73 HE1 PHE 73 -9.317 -16.626 6.672 537 HZ PHE 73 HZ PHE 73 -8.894 -18.778 5.554 538 H LEU 74 HN LEU 74 -1.601 -15.639 5.670 539 HA LEU 74 HA LEU 74 -0.616 -12.966 6.320 540 1HB LEU 74 HB2 LEU 74 0.690 -15.580 5.653 541 2HB LEU 74 HB1 LEU 74 1.583 -14.095 5.395 542 HG LEU 74 HG LEU 74 1.369 -13.527 7.774 543 1HD1 LEU 74 HD11 LEU 74 -0.025 -16.187 8.046 544 2HD1 LEU 74 HD12 LEU 74 -0.759 -14.597 8.261 545 3HD1 LEU 74 HD13 LEU 74 0.492 -15.148 9.374 546 1HD2 LEU 74 HD21 LEU 74 2.839 -15.264 8.669 547 2HD2 LEU 74 HD22 LEU 74 3.312 -14.798 7.035 548 3HD2 LEU 74 HD23 LEU 74 2.442 -16.310 7.305 549 H GLU 75 HN GLU 75 -0.323 -15.167 3.496 550 HA GLU 75 HA GLU 75 -0.748 -12.959 1.672 551 1HB GLU 75 HB2 GLU 75 1.669 -12.797 2.366 552 2HB GLU 75 HB1 GLU 75 1.924 -14.390 1.667 553 1HG GLU 75 HG2 GLU 75 2.655 -12.646 0.147 554 2HG GLU 75 HG1 GLU 75 1.293 -13.537 -0.533 555 H LEU 76 HN LEU 76 -0.794 -13.664 -0.584 556 HA LEU 76 HA LEU 76 -1.652 -16.486 -0.777 557 1HB LEU 76 HB2 LEU 76 -3.427 -14.794 -1.088 558 2HB LEU 76 HB1 LEU 76 -2.521 -14.097 -2.416 559 HG LEU 76 HG LEU 76 -2.779 -16.233 -3.671 560 1HD1 LEU 76 HD11 LEU 76 -4.578 -17.000 -1.370 561 2HD1 LEU 76 HD12 LEU 76 -3.042 -17.757 -1.794 562 3HD1 LEU 76 HD13 LEU 76 -4.417 -17.882 -2.890 563 1HD2 LEU 76 HD21 LEU 76 -4.313 -14.377 -4.059 564 2HD2 LEU 76 HD22 LEU 76 -5.359 -14.950 -2.759 565 3HD2 LEU 76 HD23 LEU 76 -5.147 -15.922 -4.215 566 H ARG 77 HN ARG 77 -1.139 -17.667 -2.639 567 HA ARG 77 HA ARG 77 0.899 -16.557 -4.443 568 1HB ARG 77 HB2 ARG 77 2.053 -17.928 -2.757 569 2HB ARG 77 HB1 ARG 77 0.969 -19.273 -3.091 570 1HG ARG 77 HG2 ARG 77 1.852 -19.272 -5.448 571 2HG ARG 77 HG1 ARG 77 3.066 -18.106 -4.915 572 1HD ARG 77 HD2 ARG 77 2.664 -20.911 -3.868 573 2HD ARG 77 HD1 ARG 77 3.993 -20.345 -4.880 574 HE ARG 77 HE ARG 77 4.113 -18.746 -2.680 575 1HH1 ARG 77 HH11 ARG 77 4.161 -22.207 -3.214 576 2HH1 ARG 77 HH12 ARG 77 5.086 -22.546 -1.785 577 1HH2 ARG 77 HH21 ARG 77 5.335 -19.179 -0.808 578 2HH2 ARG 77 HH22 ARG 77 5.772 -20.814 -0.421 579 H VAL 78 HN VAL 78 -0.248 -16.483 -6.303 580 HA VAL 78 HA VAL 78 -2.242 -18.514 -6.899 581 HB VAL 78 HB VAL 78 -1.369 -16.136 -8.548 582 1HG1 VAL 78 HG11 VAL 78 -2.495 -17.833 -9.889 583 2HG1 VAL 78 HG12 VAL 78 -3.526 -16.415 -9.702 584 3HG1 VAL 78 HG13 VAL 78 -3.841 -17.865 -8.748 585 1HG2 VAL 78 HG21 VAL 78 -3.380 -15.014 -7.677 586 2HG2 VAL 78 HG22 VAL 78 -2.217 -15.386 -6.405 587 3HG2 VAL 78 HG23 VAL 78 -3.659 -16.382 -6.599 588 H LEU 79 HN LEU 79 -1.548 -20.389 -7.730 589 HA LEU 79 HA LEU 79 1.003 -20.621 -9.038 590 1HB LEU 79 HB2 LEU 79 -1.180 -22.680 -8.654 591 2HB LEU 79 HB1 LEU 79 0.449 -23.016 -9.210 592 HG LEU 79 HG LEU 79 -0.314 -21.985 -6.469 593 1HD1 LEU 79 HD11 LEU 79 0.465 -24.172 -5.688 594 2HD1 LEU 79 HD12 LEU 79 0.730 -24.675 -7.358 595 3HD1 LEU 79 HD13 LEU 79 -0.903 -24.322 -6.791 596 1HD2 LEU 79 HD21 LEU 79 2.052 -22.287 -5.906 597 2HD2 LEU 79 HD22 LEU 79 1.841 -21.082 -7.175 598 3HD2 LEU 79 HD23 LEU 79 2.402 -22.704 -7.584 599 H GLY 80 HN GLY 80 -2.286 -21.571 -10.077 600 1HA GLY 80 HA2 GLY 80 -1.727 -20.557 -12.757 601 2HA GLY 80 HA1 GLY 80 -1.964 -22.293 -12.611 602 H SER 81 HN SER 81 -3.554 -20.401 -14.091 603 HA SER 81 HA SER 81 -6.151 -20.895 -12.808 604 1HB SER 81 HB2 SER 81 -6.866 -18.623 -13.714 605 2HB SER 81 HB1 SER 81 -5.750 -18.584 -12.350 606 HG SER 81 HG SER 81 -4.250 -17.740 -13.581 607 H SER 82 HN SER 82 -7.900 -21.130 -14.271 608 HA SER 82 HA SER 82 -7.342 -21.102 -17.130 609 1HB SER 82 HB2 SER 82 -8.295 -23.577 -15.656 610 2HB SER 82 HB1 SER 82 -8.313 -23.393 -17.409 611 HG SER 82 HG SER 82 -5.909 -22.922 -16.057 612 H GLU 83 HN GLU 83 -8.933 -19.975 -18.006 613 HA GLU 83 HA GLU 83 -11.627 -20.071 -16.834 614 1HB GLU 83 HB2 GLU 83 -10.662 -17.833 -17.180 615 2HB GLU 83 HB1 GLU 83 -10.434 -18.183 -18.889 616 1HG GLU 83 HG2 GLU 83 -12.835 -18.324 -19.213 617 2HG GLU 83 HG1 GLU 83 -13.104 -18.077 -17.488 618 H LYS 84 HN LYS 84 -13.111 -21.307 -17.770 619 HA LYS 84 HA LYS 84 -12.698 -22.206 -20.553 620 1HB LYS 84 HB2 LYS 84 -13.985 -23.814 -18.328 621 2HB LYS 84 HB1 LYS 84 -13.581 -24.375 -19.945 622 1HG LYS 84 HG2 LYS 84 -11.544 -23.489 -17.903 623 2HG LYS 84 HG1 LYS 84 -12.035 -25.164 -18.155 624 1HD LYS 84 HD2 LYS 84 -10.863 -23.406 -20.316 625 2HD LYS 84 HD1 LYS 84 -9.912 -24.504 -19.315 626 1HE LYS 84 HE2 LYS 84 -11.269 -26.395 -20.131 627 2HE LYS 84 HE1 LYS 84 -12.175 -25.285 -21.159 628 1HZ LYS 84 HZ1 LYS 84 -9.255 -25.802 -21.340 629 2HZ LYS 84 HZ2 LYS 84 -10.142 -24.765 -22.340 630 3HZ LYS 84 HZ3 LYS 84 -10.430 -26.429 -22.381 631 H GLY 85 HN GLY 85 -14.059 -20.449 -21.233 632 1HA GLY 85 HA2 GLY 85 -16.064 -19.670 -22.033 633 2HA GLY 85 HA1 GLY 85 -16.787 -21.183 -21.510 634 H SER 86 HN SER 86 -17.707 -21.328 -19.446 635 HA SER 86 HA SER 86 -18.025 -18.776 -18.000 636 1HB SER 86 HB2 SER 86 -20.181 -20.851 -18.505 637 2HB SER 86 HB1 SER 86 -20.371 -19.386 -17.539 638 HG SER 86 HG SER 86 -20.458 -19.711 -20.244 639 H ARG 87 HN ARG 87 -16.747 -21.750 -17.851 640 HA ARG 87 HA ARG 87 -17.120 -21.944 -14.929 641 1HB ARG 87 HB2 ARG 87 -17.903 -23.939 -16.201 642 2HB ARG 87 HB1 ARG 87 -16.295 -24.127 -16.876 643 1HG ARG 87 HG2 ARG 87 -16.682 -24.156 -13.903 644 2HG ARG 87 HG1 ARG 87 -17.054 -25.590 -14.858 645 1HD ARG 87 HD2 ARG 87 -14.392 -24.159 -14.781 646 2HD ARG 87 HD1 ARG 87 -14.776 -25.665 -13.949 647 HE ARG 87 HE ARG 87 -15.282 -25.896 -16.734 648 1HH1 ARG 87 HH11 ARG 87 -12.641 -25.833 -14.418 649 2HH1 ARG 87 HH12 ARG 87 -11.584 -26.775 -15.418 650 1HH2 ARG 87 HH21 ARG 87 -13.879 -27.133 -18.045 651 2HH2 ARG 87 HH22 ARG 87 -12.283 -27.514 -17.475 652 H GLY 88 HN GLY 88 -15.331 -21.717 -13.689 653 1HA GLY 88 HA2 GLY 88 -12.733 -21.495 -15.090 654 2HA GLY 88 HA1 GLY 88 -13.237 -20.354 -13.849 655 H THR 89 HN THR 89 -10.873 -21.905 -13.809 656 HA THR 89 HA THR 89 -11.239 -23.159 -11.211 657 HB THR 89 HB THR 89 -9.931 -24.669 -13.500 658 HG1 THR 89 HG1 THR 89 -12.525 -24.621 -12.506 659 1HG2 THR 89 HG21 THR 89 -9.834 -26.538 -11.906 660 2HG2 THR 89 HG22 THR 89 -10.509 -25.503 -10.647 661 3HG2 THR 89 HG23 THR 89 -8.915 -25.151 -11.319 662 H VAL 90 HN VAL 90 -9.551 -22.696 -9.912 663 HA VAL 90 HA VAL 90 -7.005 -21.890 -11.132 664 HB VAL 90 HB VAL 90 -8.171 -19.799 -10.694 665 1HG1 VAL 90 HG11 VAL 90 -9.738 -20.571 -8.987 666 2HG1 VAL 90 HG12 VAL 90 -8.872 -19.132 -8.449 667 3HG1 VAL 90 HG13 VAL 90 -8.418 -20.720 -7.827 668 1HG2 VAL 90 HG21 VAL 90 -5.993 -20.307 -8.658 669 2HG2 VAL 90 HG22 VAL 90 -6.548 -18.718 -9.189 670 3HG2 VAL 90 HG23 VAL 90 -5.765 -19.806 -10.335 671 H GLU 91 HN GLU 91 -5.302 -22.729 -10.170 672 HA GLU 91 HA GLU 91 -5.635 -24.085 -7.578 673 1HB GLU 91 HB2 GLU 91 -4.877 -25.410 -9.598 674 2HB GLU 91 HB1 GLU 91 -3.413 -24.437 -9.610 675 1HG GLU 91 HG2 GLU 91 -2.823 -25.266 -7.398 676 2HG GLU 91 HG1 GLU 91 -4.315 -26.203 -7.338 677 H PHE 92 HN PHE 92 -4.501 -23.348 -5.832 678 HA PHE 92 HA PHE 92 -2.320 -21.467 -6.201 679 1HB PHE 92 HB2 PHE 92 -3.424 -19.674 -4.891 680 2HB PHE 92 HB1 PHE 92 -4.234 -19.987 -6.422 681 HD1 PHE 92 HD2 PHE 92 -6.437 -21.049 -6.476 682 HD2 PHE 92 HD1 PHE 92 -4.508 -20.154 -2.781 683 HE1 PHE 92 HE2 PHE 92 -8.568 -21.357 -5.288 684 HE2 PHE 92 HE1 PHE 92 -6.638 -20.462 -1.592 685 HZ PHE 92 HZ PHE 92 -8.672 -21.064 -2.845 686 H ILE 93 HN ILE 93 -1.708 -20.526 -3.995 687 HA ILE 93 HA ILE 93 -2.001 -22.499 -1.837 688 HB ILE 93 HB ILE 93 0.572 -21.219 -2.808 689 1HG1 ILE 93 HG12 ILE 93 -0.228 -24.125 -2.474 690 2HG1 ILE 93 HG11 ILE 93 -0.097 -23.268 -4.004 691 1HG2 ILE 93 HG21 ILE 93 0.111 -22.809 -0.279 692 2HG2 ILE 93 HG22 ILE 93 0.512 -21.094 -0.380 693 3HG2 ILE 93 HG23 ILE 93 1.684 -22.304 -0.900 694 1HD1 ILE 93 HD11 ILE 93 2.165 -23.847 -2.102 695 2HD1 ILE 93 HD12 ILE 93 2.301 -22.983 -3.634 696 3HD1 ILE 93 HD13 ILE 93 1.832 -24.682 -3.619 697 H ALA 94 HN ALA 94 -2.790 -21.516 -0.089 698 HA ALA 94 HA ALA 94 -2.379 -18.619 0.255 699 1HB ALA 94 HB1 ALA 94 -4.712 -19.376 0.234 700 2HB ALA 94 HB2 ALA 94 -4.271 -18.706 1.804 701 3HB ALA 94 HB3 ALA 94 -4.380 -20.455 1.589 702 H ARG 95 HN ARG 95 -0.934 -17.960 1.728 703 HA ARG 95 HA ARG 95 0.117 -19.903 3.656 704 1HB ARG 95 HB2 ARG 95 1.755 -18.645 2.300 705 2HB ARG 95 HB1 ARG 95 1.122 -17.131 2.941 706 1HG ARG 95 HG2 ARG 95 1.727 -18.016 5.246 707 2HG ARG 95 HG1 ARG 95 2.619 -19.290 4.416 708 1HD ARG 95 HD2 ARG 95 3.088 -16.316 4.191 709 2HD ARG 95 HD1 ARG 95 4.102 -17.471 5.051 710 HE ARG 95 HE ARG 95 3.917 -17.098 2.160 711 1HH1 ARG 95 HH11 ARG 95 5.164 -19.022 4.799 712 2HH1 ARG 95 HH12 ARG 95 6.547 -19.576 3.913 713 1HH2 ARG 95 HH21 ARG 95 5.747 -17.826 0.987 714 2HH2 ARG 95 HH22 ARG 95 6.894 -18.876 1.758 715 H PHE 96 HN PHE 96 -0.238 -19.756 5.788 716 HA PHE 96 HA PHE 96 -1.157 -17.304 7.023 717 1HB PHE 96 HB2 PHE 96 -3.169 -18.595 8.023 718 2HB PHE 96 HB1 PHE 96 -3.307 -18.000 6.374 719 HD1 PHE 96 HD1 PHE 96 -2.211 -21.074 8.206 720 HD2 PHE 96 HD2 PHE 96 -4.113 -19.427 4.768 721 HE1 PHE 96 HE1 PHE 96 -2.745 -23.337 7.414 722 HE2 PHE 96 HE2 PHE 96 -4.655 -21.690 3.983 723 HZ PHE 96 HZ PHE 96 -3.970 -23.649 5.308 724 H ARG 97 HN ARG 97 -1.205 -17.458 9.369 725 HA ARG 97 HA ARG 97 0.578 -19.521 10.408 726 1HB ARG 97 HB2 ARG 97 -0.588 -17.005 11.619 727 2HB ARG 97 HB1 ARG 97 0.266 -18.196 12.591 728 1HG ARG 97 HG2 ARG 97 2.261 -17.896 11.174 729 2HG ARG 97 HG1 ARG 97 1.403 -16.654 10.260 730 1HD ARG 97 HD2 ARG 97 2.888 -15.664 11.936 731 2HD ARG 97 HD1 ARG 97 1.197 -15.293 12.279 732 HE ARG 97 HE ARG 97 1.863 -17.595 13.708 733 1HH1 ARG 97 HH11 ARG 97 2.849 -14.237 13.638 734 2HH1 ARG 97 HH12 ARG 97 3.167 -14.163 15.343 735 1HH2 ARG 97 HH21 ARG 97 2.262 -17.489 15.964 736 2HH2 ARG 97 HH22 ARG 97 2.827 -16.008 16.663 737 H ARG 98 HN ARG 98 -0.244 -21.363 11.089 738 HA ARG 98 HA ARG 98 -3.042 -21.802 11.306 739 1HB ARG 98 HB2 ARG 98 -1.464 -23.532 10.519 740 2HB ARG 98 HB1 ARG 98 -0.731 -23.588 12.118 741 1HG ARG 98 HG2 ARG 98 -2.808 -24.407 13.073 742 2HG ARG 98 HG1 ARG 98 -3.603 -24.278 11.504 743 1HD ARG 98 HD2 ARG 98 -1.968 -25.924 10.602 744 2HD ARG 98 HD1 ARG 98 -1.315 -26.110 12.231 745 HE ARG 98 HE ARG 98 -3.865 -26.652 12.683 746 1HH1 ARG 98 HH11 ARG 98 -1.752 -27.792 10.130 747 2HH1 ARG 98 HH12 ARG 98 -2.651 -29.257 9.871 748 1HH2 ARG 98 HH21 ARG 98 -5.030 -28.577 12.365 749 2HH2 ARG 98 HH22 ARG 98 -4.529 -29.694 11.135 750 H GLY 99 HN GLY 99 -4.297 -21.402 12.992 751 1HA GLY 99 HA2 GLY 99 -5.005 -20.999 15.139 752 2HA GLY 99 HA1 GLY 99 -3.615 -21.921 15.699 753 H GLY 100 HN GLY 100 -1.603 -20.843 15.968 754 1HA GLY 100 HA2 GLY 100 -1.419 -17.983 15.596 755 2HA GLY 100 HA1 GLY 100 -1.510 -18.477 17.283 756 H GLY 101 HN GLY 101 0.010 -20.571 14.958 757 1HA GLY 101 HA2 GLY 101 2.650 -19.759 16.012 758 2HA GLY 101 HA1 GLY 101 2.150 -21.441 16.033 759 HA PRO 102 HA PRO 102 4.484 -21.852 12.401 760 1HB PRO 102 HB2 PRO 102 3.448 -24.147 11.359 761 2HB PRO 102 HB1 PRO 102 4.464 -24.115 12.805 762 1HG PRO 102 HG2 PRO 102 1.472 -24.239 12.597 763 2HG PRO 102 HG1 PRO 102 2.559 -25.170 13.648 764 1HD PRO 102 HD2 PRO 102 1.191 -23.023 14.547 765 2HD PRO 102 HD1 PRO 102 2.815 -23.419 15.145 766 H GLU 103 HN GLU 103 4.489 -21.043 10.412 767 HA GLU 103 HA GLU 103 2.073 -20.163 9.138 768 1HB GLU 103 HB2 GLU 103 4.934 -20.215 8.142 769 2HB GLU 103 HB1 GLU 103 3.600 -19.399 7.336 770 1HG GLU 103 HG2 GLU 103 3.398 -17.799 9.052 771 2HG GLU 103 HG1 GLU 103 4.406 -18.739 10.152 772 H GLN 104 HN GLN 104 0.797 -21.783 8.412 773 HA GLN 104 HA GLN 104 1.975 -23.948 6.823 774 1HB GLN 104 HB2 GLN 104 0.380 -24.608 8.587 775 2HB GLN 104 HB1 GLN 104 -0.861 -23.604 7.847 776 1HG GLN 104 HG2 GLN 104 -0.821 -25.009 5.847 777 2HG GLN 104 HG1 GLN 104 0.446 -26.002 6.562 778 1HE2 GLN 104 HE21 GLN 104 -2.265 -24.739 8.398 779 2HE2 GLN 104 HE22 GLN 104 -3.045 -26.259 8.648 780 H SER 105 HN SER 105 1.368 -24.313 4.700 781 HA SER 105 HA SER 105 -0.026 -22.083 3.379 782 1HB SER 105 HB2 SER 105 1.388 -22.835 1.355 783 2HB SER 105 HB1 SER 105 2.219 -21.981 2.652 784 HG SER 105 HG SER 105 3.494 -23.658 2.543 785 H HIS 106 HN HIS 106 -1.987 -22.676 2.786 786 HA HIS 106 HA HIS 106 -2.677 -25.459 2.384 787 1HB HIS 106 HB2 HIS 106 -4.168 -23.825 3.583 788 2HB HIS 106 HB1 HIS 106 -4.433 -23.011 2.048 789 HD1 HIS 106 HD1 HIS 106 -5.948 -25.424 4.176 790 HD2 HIS 106 HD2 HIS 106 -5.557 -25.014 0.058 791 HE1 HIS 106 HE1 HIS 106 -7.762 -26.848 3.178 792 HE2 HIS 106 HE2 HIS 106 -7.610 -26.444 0.698 793 H HIS 107 HN HIS 107 -2.226 -26.372 0.513 794 HA HIS 107 HA HIS 107 -2.402 -24.810 -1.979 795 1HB HIS 107 HB2 HIS 107 -0.259 -25.874 -1.705 796 2HB HIS 107 HB1 HIS 107 -1.007 -27.409 -1.295 797 HD1 HIS 107 HD1 HIS 107 0.117 -28.706 -3.153 798 HD2 HIS 107 HD2 HIS 107 -2.094 -25.473 -4.544 799 HE1 HIS 107 HE1 HIS 107 0.024 -28.976 -5.650 800 HE2 HIS 107 HE2 HIS 107 -1.202 -26.943 -6.482 801 H GLU 108 HN GLU 108 -4.218 -25.039 -3.125 802 HA GLU 108 HA GLU 108 -5.385 -27.664 -3.488 803 1HB GLU 108 HB2 GLU 108 -7.608 -27.094 -2.749 804 2HB GLU 108 HB1 GLU 108 -6.487 -26.852 -1.420 805 1HG GLU 108 HG2 GLU 108 -6.623 -24.511 -1.584 806 2HG GLU 108 HG1 GLU 108 -7.364 -24.582 -3.184 807 H ARG 109 HN ARG 109 -7.647 -27.177 -4.727 808 HA ARG 109 HA ARG 109 -7.101 -25.217 -6.855 809 1HB ARG 109 HB2 ARG 109 -6.312 -27.413 -7.620 810 2HB ARG 109 HB1 ARG 109 -7.867 -28.129 -7.221 811 1HG ARG 109 HG2 ARG 109 -8.931 -26.708 -8.938 812 2HG ARG 109 HG1 ARG 109 -7.339 -26.071 -9.362 813 1HD ARG 109 HD2 ARG 109 -8.062 -27.884 -10.876 814 2HD ARG 109 HD1 ARG 109 -6.582 -28.286 -10.001 815 HE ARG 109 HE ARG 109 -9.067 -29.219 -8.809 816 1HH1 ARG 109 HH11 ARG 109 -6.345 -30.006 -10.877 817 2HH1 ARG 109 HH12 ARG 109 -6.519 -31.719 -10.655 818 1HH2 ARG 109 HH21 ARG 109 -9.275 -31.453 -8.501 819 2HH2 ARG 109 HH22 ARG 109 -8.163 -32.541 -9.280 820 H SER 110 HN SER 110 -8.777 -23.846 -6.681 821 HA SER 110 HA SER 110 -11.389 -24.856 -5.813 822 1HB SER 110 HB2 SER 110 -10.409 -22.000 -6.080 823 2HB SER 110 HB1 SER 110 -11.934 -22.513 -5.357 824 HG SER 110 HG SER 110 -10.068 -23.882 -4.122 825 H GLN 111 HN GLN 111 -13.189 -24.765 -7.043 826 HA GLN 111 HA GLN 111 -12.940 -23.888 -9.827 827 1HB GLN 111 HB2 GLN 111 -15.046 -25.563 -8.431 828 2HB GLN 111 HB1 GLN 111 -15.158 -25.053 -10.108 829 1HG GLN 111 HG2 GLN 111 -14.392 -27.287 -10.118 830 2HG GLN 111 HG1 GLN 111 -13.009 -26.278 -10.534 831 1HE2 GLN 111 HE21 GLN 111 -11.282 -26.150 -9.116 832 2HE2 GLN 111 HE22 GLN 111 -11.102 -27.206 -7.759 833 H PHE 112 HN PHE 112 -14.216 -22.323 -10.699 834 HA PHE 112 HA PHE 112 -16.070 -20.861 -8.934 835 1HB PHE 112 HB2 PHE 112 -13.958 -19.715 -10.786 836 2HB PHE 112 HB1 PHE 112 -15.293 -18.761 -10.150 837 HD1 PHE 112 HD1 PHE 112 -12.322 -20.753 -9.152 838 HD2 PHE 112 HD2 PHE 112 -15.185 -17.813 -8.003 839 HE1 PHE 112 HE1 PHE 112 -11.019 -20.277 -7.121 840 HE2 PHE 112 HE2 PHE 112 -13.884 -17.337 -5.972 841 HZ PHE 112 HZ PHE 112 -11.799 -18.568 -5.528 842 H ARG 113 HN ARG 113 -17.863 -19.928 -9.993 843 HA ARG 113 HA ARG 113 -18.299 -20.850 -12.765 844 1HB ARG 113 HB2 ARG 113 -19.673 -22.162 -11.278 845 2HB ARG 113 HB1 ARG 113 -20.244 -20.719 -10.451 846 1HG ARG 113 HG2 ARG 113 -21.475 -20.028 -12.414 847 2HG ARG 113 HG1 ARG 113 -20.818 -21.380 -13.339 848 1HD ARG 113 HD2 ARG 113 -22.555 -21.636 -10.875 849 2HD ARG 113 HD1 ARG 113 -23.128 -21.785 -12.535 850 HE ARG 113 HE ARG 113 -21.853 -23.798 -12.754 851 1HH1 ARG 113 HH11 ARG 113 -21.970 -22.555 -9.476 852 2HH1 ARG 113 HH12 ARG 113 -21.616 -24.098 -8.756 853 1HH2 ARG 113 HH21 ARG 113 -21.388 -25.809 -11.804 854 2HH2 ARG 113 HH22 ARG 113 -21.299 -25.948 -10.073 855 H LYS 114 HN LYS 114 -18.852 -19.332 -14.199 856 HA LYS 114 HA LYS 114 -19.205 -16.595 -13.304 857 1HB LYS 114 HB2 LYS 114 -17.791 -17.243 -15.307 858 2HB LYS 114 HB1 LYS 114 -19.295 -17.611 -16.147 859 1HG LYS 114 HG2 LYS 114 -20.038 -15.308 -15.857 860 2HG LYS 114 HG1 LYS 114 -18.558 -14.932 -14.973 861 1HD LYS 114 HD2 LYS 114 -17.271 -15.583 -17.030 862 2HD LYS 114 HD1 LYS 114 -18.815 -15.708 -17.881 863 1HE LYS 114 HE2 LYS 114 -19.279 -13.348 -17.263 864 2HE LYS 114 HE1 LYS 114 -17.667 -13.248 -16.561 865 1HZ LYS 114 HZ1 LYS 114 -18.265 -13.824 -19.412 866 2HZ LYS 114 HZ2 LYS 114 -16.722 -13.731 -18.729 867 3HZ LYS 114 HZ3 LYS 114 -17.697 -12.354 -18.799 868 H ALA 115 HN ALA 115 -21.145 -16.008 -12.650 869 HA ALA 115 HA ALA 115 -23.505 -16.938 -14.147 870 1HB ALA 115 HB1 ALA 115 -24.748 -17.021 -12.038 871 2HB ALA 115 HB2 ALA 115 -23.287 -16.578 -11.153 872 3HB ALA 115 HB3 ALA 115 -23.368 -18.119 -12.007 873 H ARG 116 HN ARG 116 -24.780 -15.359 -14.852 874 HA ARG 116 HA ARG 116 -25.748 -13.334 -15.174 875 1HB ARG 116 HB2 ARG 116 -26.193 -13.759 -12.646 876 2HB ARG 116 HB1 ARG 116 -24.944 -12.554 -12.371 877 1HG ARG 116 HG2 ARG 116 -27.090 -11.497 -12.245 878 2HG ARG 116 HG1 ARG 116 -26.273 -10.938 -13.706 879 1HD ARG 116 HD2 ARG 116 -28.635 -11.437 -14.131 880 2HD ARG 116 HD1 ARG 116 -27.574 -12.503 -15.052 881 HE ARG 116 HE ARG 116 -28.660 -13.445 -12.492 882 1HH1 ARG 116 HH11 ARG 116 -28.584 -13.666 -15.989 883 2HH1 ARG 116 HH12 ARG 116 -29.448 -15.170 -16.040 884 1HH2 ARG 116 HH21 ARG 116 -29.781 -15.423 -12.550 885 2HH2 ARG 116 HH22 ARG 116 -30.125 -16.177 -14.078 886 H GLY 117 HN GLY 117 -22.763 -13.782 -15.475 887 1HA GLY 117 HA2 GLY 117 -21.278 -12.385 -16.650 888 2HA GLY 117 HA1 GLY 117 -22.113 -10.979 -16.012 889 H ARG 118 HN ARG 118 -21.855 -12.590 -13.308 890 HA ARG 118 HA ARG 118 -19.205 -11.483 -12.653 891 1HB ARG 118 HB2 ARG 118 -21.527 -12.229 -10.847 892 2HB ARG 118 HB1 ARG 118 -19.959 -11.694 -10.271 893 1HG ARG 118 HG2 ARG 118 -21.341 -9.812 -10.139 894 2HG ARG 118 HG1 ARG 118 -20.356 -9.558 -11.577 895 1HD ARG 118 HD2 ARG 118 -22.183 -10.184 -13.011 896 2HD ARG 118 HD1 ARG 118 -23.161 -10.674 -11.626 897 HE ARG 118 HE ARG 118 -22.786 -8.143 -11.011 898 1HH1 ARG 118 HH11 ARG 118 -23.549 -9.517 -14.144 899 2HH1 ARG 118 HH12 ARG 118 -24.362 -8.096 -14.708 900 1HH2 ARG 118 HH21 ARG 118 -23.898 -6.285 -11.749 901 2HH2 ARG 118 HH22 ARG 118 -24.579 -6.272 -13.345 902 H TRP 119 HN TRP 119 -17.790 -12.766 -11.289 903 HA TRP 119 HA TRP 119 -18.135 -15.642 -11.712 904 1HB TRP 119 HB2 TRP 119 -15.741 -13.923 -11.087 905 2HB TRP 119 HB1 TRP 119 -15.694 -15.667 -10.835 906 HD1 TRP 119 HD1 TRP 119 -15.829 -13.056 -13.637 907 HE1 TRP 119 HE1 TRP 119 -15.272 -14.227 -15.868 908 HE3 TRP 119 HE3 TRP 119 -15.825 -17.902 -12.027 909 HZ2 TRP 119 HZ2 TRP 119 -14.901 -16.856 -16.813 910 HZ3 TRP 119 HZ3 TRP 119 -15.371 -19.687 -13.656 911 HH2 TRP 119 HH2 TRP 119 -14.918 -19.174 -16.001 912 H TYR 120 HN TYR 120 -18.478 -17.028 -10.107 913 HA TYR 120 HA TYR 120 -18.446 -16.026 -7.336 914 1HB TYR 120 HB2 TYR 120 -20.507 -17.827 -8.644 915 2HB TYR 120 HB1 TYR 120 -20.436 -17.481 -6.920 916 HD1 TYR 120 HD1 TYR 120 -21.069 -15.274 -6.064 917 HD2 TYR 120 HD2 TYR 120 -21.318 -16.159 -10.223 918 HE1 TYR 120 HE1 TYR 120 -22.474 -13.285 -6.401 919 HE2 TYR 120 HE2 TYR 120 -22.721 -14.171 -10.565 920 HH TYR 120 HH TYR 120 -23.091 -11.748 -8.200 921 H PHE 121 HN PHE 121 -18.183 -17.680 -5.724 922 HA PHE 121 HA PHE 121 -16.259 -19.689 -6.492 923 1HB PHE 121 HB2 PHE 121 -15.787 -18.462 -4.501 924 2HB PHE 121 HB1 PHE 121 -17.389 -18.769 -3.843 925 HD1 PHE 121 HD1 PHE 121 -14.158 -20.376 -4.704 926 HD2 PHE 121 HD2 PHE 121 -17.809 -20.672 -2.525 927 HE1 PHE 121 HE1 PHE 121 -13.283 -22.332 -3.499 928 HE2 PHE 121 HE2 PHE 121 -16.939 -22.627 -1.321 929 HZ PHE 121 HZ PHE 121 -14.669 -23.459 -1.802 930 H SER 122 HN SER 122 -16.790 -21.690 -7.056 931 HA SER 122 HA SER 122 -19.497 -22.656 -6.552 932 1HB SER 122 HB2 SER 122 -17.298 -23.900 -8.230 933 2HB SER 122 HB1 SER 122 -19.003 -24.352 -8.226 934 HG SER 122 HG SER 122 -19.074 -21.833 -8.717 935 H GLU 123 HN GLU 123 -16.131 -23.685 -6.017 936 HA GLU 123 HA GLU 123 -16.629 -24.912 -3.555 937 1HB GLU 123 HB2 GLU 123 -16.356 -27.321 -4.251 938 2HB GLU 123 HB1 GLU 123 -17.899 -26.593 -4.676 939 1HG GLU 123 HG2 GLU 123 -16.748 -26.131 -6.971 940 2HG GLU 123 HG1 GLU 123 -15.630 -27.393 -6.453 941 H GLY 124 HN GLY 124 -14.754 -25.941 -2.671 942 1HA GLY 124 HA2 GLY 124 -12.286 -25.670 -4.246 943 2HA GLY 124 HA1 GLY 124 -12.425 -24.784 -2.731 944 H GLU 125 HN GLU 125 -10.867 -27.259 -3.857 945 HA GLU 125 HA GLU 125 -10.878 -28.746 -1.383 946 1HB GLU 125 HB2 GLU 125 -11.318 -30.930 -2.515 947 2HB GLU 125 HB1 GLU 125 -12.716 -29.862 -2.475 948 1HG GLU 125 HG2 GLU 125 -12.365 -29.246 -4.787 949 2HG GLU 125 HG1 GLU 125 -10.885 -30.203 -4.847 950 H ALA 126 HN ALA 126 -9.311 -30.639 -1.575 951 HA ALA 126 HA ALA 126 -6.785 -29.680 -2.291 952 1HB ALA 126 HB1 ALA 126 -5.986 -31.948 -1.804 953 2HB ALA 126 HB2 ALA 126 -7.649 -32.536 -1.808 954 3HB ALA 126 HB3 ALA 126 -7.123 -31.387 -0.578 955 H VAL 127 HN VAL 127 -5.298 -30.493 -3.873 956 HA VAL 127 HA VAL 127 -6.638 -31.141 -6.411 957 HB VAL 127 HB VAL 127 -5.420 -29.045 -6.480 958 1HG1 VAL 127 HG11 VAL 127 -3.825 -29.443 -4.678 959 2HG1 VAL 127 HG12 VAL 127 -2.993 -28.924 -6.143 960 3HG1 VAL 127 HG13 VAL 127 -2.972 -30.625 -5.672 961 1HG2 VAL 127 HG21 VAL 127 -5.432 -30.395 -8.513 962 2HG2 VAL 127 HG22 VAL 127 -3.949 -31.202 -8.004 963 3HG2 VAL 127 HG23 VAL 127 -3.932 -29.479 -8.381 964 H ASP 128 HN ASP 128 -6.047 -32.889 -7.600 965 HA ASP 128 HA ASP 128 -4.402 -34.893 -6.293 966 1HB ASP 128 HB2 ASP 128 -5.195 -36.387 -8.138 967 2HB ASP 128 HB1 ASP 128 -6.493 -35.690 -7.180 Start of MODEL 18 1 1H MET 1 HT1 MET 1 -0.163 1.941 0.588 2 2H MET 1 HT2 MET 1 -1.399 0.937 0.014 3 3H MET 1 HT3 MET 1 -0.187 1.469 -1.035 4 HA MET 1 HA MET 1 1.465 0.222 0.117 5 1HB MET 1 HB2 MET 1 -0.828 -0.331 1.986 6 2HB MET 1 HB1 MET 1 0.497 -1.480 1.853 7 1HG MET 1 HG2 MET 1 0.786 1.426 2.593 8 2HG MET 1 HG1 MET 1 0.783 0.073 3.727 9 1HE MET 1 HE1 MET 1 3.118 0.934 4.708 10 2HE MET 1 HE2 MET 1 3.123 2.268 3.553 11 3HE MET 1 HE3 MET 1 4.541 1.231 3.709 12 H ASN 2 HN ASN 2 1.708 -2.174 -0.055 13 HA ASN 2 HA ASN 2 0.449 -3.162 -2.383 14 1HB ASN 2 HB2 ASN 2 1.583 -5.345 -1.737 15 2HB ASN 2 HB1 ASN 2 2.643 -3.958 -1.943 16 1HD2 ASN 2 HD21 ASN 2 4.244 -4.891 -0.700 17 2HD2 ASN 2 HD22 ASN 2 4.126 -5.022 1.019 18 H CYS 3 HN CYS 3 -1.217 -4.528 -2.666 19 HA CYS 3 HA CYS 3 -3.110 -4.808 -0.507 20 1HB CYS 3 HB2 CYS 3 -3.551 -4.373 -3.054 21 2HB CYS 3 HB1 CYS 3 -3.378 -6.121 -3.206 22 H VAL 4 HN VAL 4 -3.641 -6.706 0.572 23 HA VAL 4 HA VAL 4 -1.831 -8.895 0.496 24 HB VAL 4 HB VAL 4 -3.528 -10.079 1.940 25 1HG1 VAL 4 HG11 VAL 4 -3.167 -8.617 3.873 26 2HG1 VAL 4 HG12 VAL 4 -2.723 -7.293 2.795 27 3HG1 VAL 4 HG13 VAL 4 -1.712 -8.736 2.881 28 1HG2 VAL 4 HG21 VAL 4 -5.020 -7.459 1.699 29 2HG2 VAL 4 HG22 VAL 4 -5.427 -8.783 2.791 30 3HG2 VAL 4 HG23 VAL 4 -5.546 -9.010 1.046 31 H CYS 5 HN CYS 5 -1.873 -9.190 -1.773 32 HA CYS 5 HA CYS 5 -3.445 -11.392 -2.651 33 1HB CYS 5 HB2 CYS 5 -3.838 -8.811 -4.188 34 2HB CYS 5 HB1 CYS 5 -4.563 -10.371 -4.544 35 H GLY 6 HN GLY 6 -2.440 -12.376 -4.468 36 1HA GLY 6 HA2 GLY 6 0.144 -11.442 -5.272 37 2HA GLY 6 HA1 GLY 6 -0.765 -12.758 -6.009 38 H SER 7 HN SER 7 -0.632 -9.218 -5.807 39 HA SER 7 HA SER 7 -1.778 -9.058 -8.522 40 1HB SER 7 HB2 SER 7 -2.534 -7.268 -6.192 41 2HB SER 7 HB1 SER 7 -3.197 -7.200 -7.825 42 HG SER 7 HG SER 7 -3.963 -9.366 -7.464 43 H GLY 8 HN GLY 8 0.209 -7.574 -6.020 44 1HA GLY 8 HA2 GLY 8 1.977 -6.109 -6.182 45 2HA GLY 8 HA1 GLY 8 1.887 -6.265 -7.931 46 H LYS 9 HN LYS 9 -0.947 -5.351 -6.172 47 HA LYS 9 HA LYS 9 -0.600 -2.538 -6.981 48 1HB LYS 9 HB2 LYS 9 -3.199 -4.073 -7.264 49 2HB LYS 9 HB1 LYS 9 -2.881 -2.419 -7.773 50 1HG LYS 9 HG2 LYS 9 -0.967 -3.830 -9.141 51 2HG LYS 9 HG1 LYS 9 -2.324 -4.950 -9.137 52 1HD LYS 9 HD2 LYS 9 -2.404 -2.079 -10.089 53 2HD LYS 9 HD1 LYS 9 -2.337 -3.504 -11.124 54 1HE LYS 9 HE2 LYS 9 -4.503 -4.241 -10.267 55 2HE LYS 9 HE1 LYS 9 -4.564 -2.844 -9.193 56 1HZ LYS 9 HZ1 LYS 9 -5.871 -2.468 -11.175 57 2HZ LYS 9 HZ2 LYS 9 -4.529 -2.758 -12.160 58 3HZ LYS 9 HZ3 LYS 9 -4.555 -1.408 -11.147 59 H THR 10 HN THR 10 -2.393 -1.162 -5.939 60 HA THR 10 HA THR 10 -2.168 -1.469 -3.108 61 HB THR 10 HB THR 10 -3.469 0.598 -2.967 62 HG1 THR 10 HG1 THR 10 -3.889 1.351 -5.408 63 1HG2 THR 10 HG21 THR 10 -1.090 0.792 -3.554 64 2HG2 THR 10 HG22 THR 10 -2.041 2.067 -4.314 65 3HG2 THR 10 HG23 THR 10 -1.505 0.683 -5.265 66 H TYR 11 HN TYR 11 -4.290 -0.980 -1.795 67 HA TYR 11 HA TYR 11 -6.052 -3.157 -1.969 68 1HB TYR 11 HB2 TYR 11 -5.843 -2.051 0.133 69 2HB TYR 11 HB1 TYR 11 -6.234 -0.485 -0.565 70 HD1 TYR 11 HD2 TYR 11 -7.764 -3.869 -0.066 71 HD2 TYR 11 HD1 TYR 11 -8.390 0.339 -0.289 72 HE1 TYR 11 HE2 TYR 11 -10.124 -4.188 0.540 73 HE2 TYR 11 HE1 TYR 11 -10.751 0.025 0.313 74 HH TYR 11 HH TYR 11 -12.439 -1.610 0.350 75 H ASP 12 HN ASP 12 -6.423 0.221 -2.966 76 HA ASP 12 HA ASP 12 -9.099 -0.082 -3.892 77 1HB ASP 12 HB2 ASP 12 -8.315 2.071 -3.109 78 2HB ASP 12 HB1 ASP 12 -7.059 2.106 -4.341 79 H ASP 13 HN ASP 13 -5.968 0.219 -5.581 80 HA ASP 13 HA ASP 13 -7.004 0.091 -8.189 81 1HB ASP 13 HB2 ASP 13 -4.298 -0.598 -7.057 82 2HB ASP 13 HB1 ASP 13 -4.656 -0.836 -8.763 83 H CYS 14 HN CYS 14 -6.259 -2.420 -5.882 84 HA CYS 14 HA CYS 14 -6.796 -4.486 -7.887 85 1HB CYS 14 HB2 CYS 14 -4.917 -5.109 -6.686 86 2HB CYS 14 HB1 CYS 14 -5.543 -4.498 -5.166 87 H CYS 15 HN CYS 15 -7.775 -4.348 -4.435 88 HA CYS 15 HA CYS 15 -10.137 -5.873 -5.042 89 1HB CYS 15 HB2 CYS 15 -9.081 -4.672 -2.487 90 2HB CYS 15 HB1 CYS 15 -10.643 -5.481 -2.566 91 H GLY 16 HN GLY 16 -9.454 -2.526 -4.986 92 1HA GLY 16 HA2 GLY 16 -11.583 -1.375 -3.690 93 2HA GLY 16 HA1 GLY 16 -10.751 -0.643 -5.045 94 HA PRO 17 HA PRO 17 -14.236 -1.050 -7.676 95 1HB PRO 17 HB2 PRO 17 -13.645 -2.671 -9.796 96 2HB PRO 17 HB1 PRO 17 -12.991 -1.042 -9.603 97 1HG PRO 17 HG2 PRO 17 -11.718 -3.681 -8.985 98 2HG PRO 17 HG1 PRO 17 -11.010 -2.249 -9.754 99 1HD PRO 17 HD2 PRO 17 -10.593 -2.858 -7.146 100 2HD PRO 17 HD1 PRO 17 -10.653 -1.185 -7.735 101 H LEU 18 HN LEU 18 -12.963 -4.151 -6.721 102 HA LEU 18 HA LEU 18 -15.313 -5.669 -7.374 103 1HB LEU 18 HB2 LEU 18 -12.864 -6.256 -5.707 104 2HB LEU 18 HB1 LEU 18 -14.187 -7.394 -5.845 105 HG LEU 18 HG LEU 18 -12.443 -8.051 -7.357 106 1HD1 LEU 18 HD11 LEU 18 -14.733 -6.819 -8.879 107 2HD1 LEU 18 HD12 LEU 18 -14.706 -8.417 -8.132 108 3HD1 LEU 18 HD13 LEU 18 -13.637 -8.061 -9.487 109 1HD2 LEU 18 HD21 LEU 18 -11.656 -6.629 -9.180 110 2HD2 LEU 18 HD22 LEU 18 -11.302 -5.911 -7.608 111 3HD2 LEU 18 HD23 LEU 18 -12.643 -5.296 -8.577 112 H LEU 19 HN LEU 19 -13.862 -4.496 -4.354 113 HA LEU 19 HA LEU 19 -16.059 -5.291 -2.713 114 1HB LEU 19 HB2 LEU 19 -13.627 -3.573 -2.274 115 2HB LEU 19 HB1 LEU 19 -14.862 -3.722 -1.036 116 HG LEU 19 HG LEU 19 -13.468 -6.135 -2.206 117 1HD1 LEU 19 HD11 LEU 19 -11.999 -6.121 -0.261 118 2HD1 LEU 19 HD12 LEU 19 -12.694 -4.589 0.270 119 3HD1 LEU 19 HD13 LEU 19 -11.769 -4.666 -1.230 120 1HD2 LEU 19 HD21 LEU 19 -14.227 -7.210 -0.153 121 2HD2 LEU 19 HD22 LEU 19 -15.585 -6.548 -1.061 122 3HD2 LEU 19 HD23 LEU 19 -14.985 -5.704 0.368 123 H ALA 20 HN ALA 20 -15.313 -2.498 -4.611 124 HA ALA 20 HA ALA 20 -17.258 -0.749 -3.460 125 1HB ALA 20 HB1 ALA 20 -16.055 -0.754 -6.234 126 2HB ALA 20 HB2 ALA 20 -15.437 0.121 -4.833 127 3HB ALA 20 HB3 ALA 20 -16.999 0.558 -5.527 128 H ARG 21 HN ARG 21 -17.479 -3.587 -5.211 129 HA ARG 21 HA ARG 21 -19.175 -4.784 -6.108 130 1HB ARG 21 HB2 ARG 21 -21.021 -2.771 -4.797 131 2HB ARG 21 HB1 ARG 21 -21.403 -4.428 -5.242 132 1HG ARG 21 HG2 ARG 21 -19.524 -3.524 -3.062 133 2HG ARG 21 HG1 ARG 21 -21.097 -4.295 -2.860 134 1HD ARG 21 HD2 ARG 21 -18.699 -5.580 -4.181 135 2HD ARG 21 HD1 ARG 21 -19.182 -5.836 -2.505 136 HE ARG 21 HE ARG 21 -21.256 -6.820 -3.362 137 1HH1 ARG 21 HH11 ARG 21 -18.508 -6.620 -5.535 138 2HH1 ARG 21 HH12 ARG 21 -19.080 -7.894 -6.563 139 1HH2 ARG 21 HH21 ARG 21 -21.984 -8.499 -4.689 140 2HH2 ARG 21 HH22 ARG 21 -21.059 -8.964 -6.086 141 H THR 22 HN THR 22 -18.022 -2.540 -7.559 142 HA THR 22 HA THR 22 -20.276 -1.669 -9.244 143 HB THR 22 HB THR 22 -19.053 0.184 -8.236 144 HG1 THR 22 HG1 THR 22 -19.568 1.019 -10.110 145 1HG2 THR 22 HG21 THR 22 -16.885 -0.926 -7.905 146 2HG2 THR 22 HG22 THR 22 -16.699 0.610 -8.752 147 3HG2 THR 22 HG23 THR 22 -16.609 -0.907 -9.647 148 H ARG 23 HN ARG 23 -17.334 -3.505 -9.218 149 HA ARG 23 HA ARG 23 -17.494 -3.794 -12.150 150 1HB ARG 23 HB2 ARG 23 -15.510 -2.517 -11.683 151 2HB ARG 23 HB1 ARG 23 -15.029 -3.626 -10.405 152 1HG ARG 23 HG2 ARG 23 -14.675 -5.392 -12.066 153 2HG ARG 23 HG1 ARG 23 -15.161 -4.283 -13.348 154 1HD ARG 23 HD2 ARG 23 -12.835 -3.796 -11.492 155 2HD ARG 23 HD1 ARG 23 -12.687 -4.568 -13.070 156 HE ARG 23 HE ARG 23 -13.799 -1.847 -12.803 157 1HH1 ARG 23 HH11 ARG 23 -11.486 -4.080 -14.182 158 2HH1 ARG 23 HH12 ARG 23 -10.794 -2.909 -15.256 159 1HH2 ARG 23 HH21 ARG 23 -12.908 -0.297 -14.229 160 2HH2 ARG 23 HH22 ARG 23 -11.610 -0.746 -15.287 161 H SER 24 HN SER 24 -17.242 -5.795 -13.003 162 HA SER 24 HA SER 24 -17.184 -8.082 -11.177 163 1HB SER 24 HB2 SER 24 -17.657 -9.318 -13.432 164 2HB SER 24 HB1 SER 24 -18.943 -8.349 -12.713 165 HG SER 24 HG SER 24 -18.408 -6.668 -14.136 166 H ALA 25 HN ALA 25 -15.487 -9.469 -11.080 167 HA ALA 25 HA ALA 25 -12.936 -8.620 -11.783 168 1HB ALA 25 HB1 ALA 25 -13.859 -11.418 -11.133 169 2HB ALA 25 HB2 ALA 25 -13.359 -10.185 -9.975 170 3HB ALA 25 HB3 ALA 25 -12.187 -10.856 -11.108 171 H ALA 26 HN ALA 26 -15.177 -10.664 -13.536 172 HA ALA 26 HA ALA 26 -15.230 -11.436 -15.664 173 1HB ALA 26 HB1 ALA 26 -13.985 -10.235 -17.380 174 2HB ALA 26 HB2 ALA 26 -12.996 -9.464 -16.139 175 3HB ALA 26 HB3 ALA 26 -14.721 -9.111 -16.235 176 H SER 27 HN SER 27 -13.067 -12.342 -13.591 177 HA SER 27 HA SER 27 -12.080 -14.488 -15.229 178 1HB SER 27 HB2 SER 27 -10.108 -12.562 -13.949 179 2HB SER 27 HB1 SER 27 -9.682 -14.113 -14.671 180 HG SER 27 HG SER 27 -10.682 -13.228 -16.645 181 HA PRO 28 HA PRO 28 -12.701 -16.532 -11.317 182 1HB PRO 28 HB2 PRO 28 -10.984 -18.668 -11.685 183 2HB PRO 28 HB1 PRO 28 -12.619 -18.581 -12.346 184 1HG PRO 28 HG2 PRO 28 -10.003 -17.981 -13.679 185 2HG PRO 28 HG1 PRO 28 -11.410 -18.854 -14.317 186 1HD PRO 28 HD2 PRO 28 -10.927 -16.304 -14.998 187 2HD PRO 28 HD1 PRO 28 -12.586 -16.891 -14.751 188 H GLU 29 HN GLU 29 -9.361 -16.261 -12.499 189 HA GLU 29 HA GLU 29 -8.060 -16.429 -10.008 190 1HB GLU 29 HB2 GLU 29 -6.140 -15.399 -11.182 191 2HB GLU 29 HB1 GLU 29 -6.863 -16.699 -12.120 192 1HG GLU 29 HG2 GLU 29 -8.095 -14.994 -13.441 193 2HG GLU 29 HG1 GLU 29 -7.227 -13.739 -12.562 194 H ALA 30 HN ALA 30 -9.201 -13.661 -11.890 195 HA ALA 30 HA ALA 30 -8.274 -11.647 -10.142 196 1HB ALA 30 HB1 ALA 30 -8.820 -11.211 -12.489 197 2HB ALA 30 HB2 ALA 30 -9.722 -10.143 -11.413 198 3HB ALA 30 HB3 ALA 30 -10.523 -11.529 -12.156 199 H LEU 31 HN LEU 31 -11.143 -13.607 -10.234 200 HA LEU 31 HA LEU 31 -12.670 -12.051 -8.391 201 1HB LEU 31 HB2 LEU 31 -13.546 -13.735 -10.080 202 2HB LEU 31 HB1 LEU 31 -12.964 -14.997 -9.018 203 HG LEU 31 HG LEU 31 -15.435 -14.496 -8.895 204 1HD1 LEU 31 HD11 LEU 31 -13.897 -14.200 -6.319 205 2HD1 LEU 31 HD12 LEU 31 -14.307 -15.718 -7.118 206 3HD1 LEU 31 HD13 LEU 31 -15.585 -14.687 -6.477 207 1HD2 LEU 31 HD21 LEU 31 -16.160 -12.552 -7.618 208 2HD2 LEU 31 HD22 LEU 31 -15.301 -12.068 -9.079 209 3HD2 LEU 31 HD23 LEU 31 -14.493 -11.984 -7.512 210 H MET 32 HN MET 32 -10.639 -14.951 -8.135 211 HA MET 32 HA MET 32 -11.145 -15.423 -5.403 212 1HB MET 32 HB2 MET 32 -10.288 -17.214 -6.760 213 2HB MET 32 HB1 MET 32 -8.841 -16.293 -7.155 214 1HG MET 32 HG2 MET 32 -8.476 -18.067 -5.456 215 2HG MET 32 HG1 MET 32 -8.040 -16.450 -4.903 216 1HE MET 32 HE1 MET 32 -8.248 -18.567 -2.715 217 2HE MET 32 HE2 MET 32 -9.323 -17.826 -1.532 218 3HE MET 32 HE3 MET 32 -8.098 -16.850 -2.342 219 H ARG 33 HN ARG 33 -8.389 -13.782 -7.003 220 HA ARG 33 HA ARG 33 -7.004 -13.416 -4.560 221 1HB ARG 33 HB2 ARG 33 -5.299 -12.644 -5.800 222 2HB ARG 33 HB1 ARG 33 -6.252 -13.197 -7.161 223 1HG ARG 33 HG2 ARG 33 -6.323 -10.368 -6.123 224 2HG ARG 33 HG1 ARG 33 -5.221 -10.920 -7.380 225 1HD ARG 33 HD2 ARG 33 -7.469 -11.765 -8.491 226 2HD ARG 33 HD1 ARG 33 -8.170 -10.502 -7.478 227 HE ARG 33 HE ARG 33 -5.970 -9.952 -9.370 228 1HH1 ARG 33 HH11 ARG 33 -9.145 -9.163 -8.098 229 2HH1 ARG 33 HH12 ARG 33 -9.335 -7.775 -9.124 230 1HH2 ARG 33 HH21 ARG 33 -6.235 -8.127 -10.697 231 2HH2 ARG 33 HH22 ARG 33 -7.680 -7.171 -10.568 232 H SER 34 HN SER 34 -9.581 -11.688 -6.024 233 HA SER 34 HA SER 34 -9.263 -9.280 -4.494 234 1HB SER 34 HB2 SER 34 -11.706 -10.393 -5.903 235 2HB SER 34 HB1 SER 34 -11.538 -8.752 -5.278 236 HG SER 34 HG SER 34 -10.910 -9.557 -7.650 237 H ARG 35 HN ARG 35 -11.371 -12.159 -4.246 238 HA ARG 35 HA ARG 35 -12.700 -11.244 -1.912 239 1HB ARG 35 HB2 ARG 35 -13.798 -13.338 -1.843 240 2HB ARG 35 HB1 ARG 35 -13.564 -12.986 -3.547 241 1HG ARG 35 HG2 ARG 35 -11.730 -14.543 -3.674 242 2HG ARG 35 HG1 ARG 35 -11.787 -14.810 -1.930 243 1HD ARG 35 HD2 ARG 35 -14.142 -15.654 -2.239 244 2HD ARG 35 HD1 ARG 35 -13.864 -15.583 -3.980 245 HE ARG 35 HE ARG 35 -11.803 -17.082 -3.182 246 1HH1 ARG 35 HH11 ARG 35 -15.209 -17.283 -2.407 247 2HH1 ARG 35 HH12 ARG 35 -15.177 -18.992 -2.133 248 1HH2 ARG 35 HH21 ARG 35 -11.742 -19.339 -2.799 249 2HH2 ARG 35 HH22 ARG 35 -13.200 -20.163 -2.359 250 H TYR 36 HN TYR 36 -9.814 -13.159 -2.448 251 HA TYR 36 HA TYR 36 -9.347 -14.217 0.064 252 1HB TYR 36 HB2 TYR 36 -7.865 -14.787 -1.729 253 2HB TYR 36 HB1 TYR 36 -7.428 -13.104 -1.995 254 HD1 TYR 36 HD1 TYR 36 -7.036 -15.953 0.369 255 HD2 TYR 36 HD2 TYR 36 -5.636 -12.105 -0.809 256 HE1 TYR 36 HE1 TYR 36 -5.079 -16.211 1.843 257 HE2 TYR 36 HE2 TYR 36 -3.684 -12.359 0.658 258 HH TYR 36 HH TYR 36 -3.045 -13.636 2.672 259 H ALA 37 HN ALA 37 -8.707 -10.951 -1.123 260 HA ALA 37 HA ALA 37 -7.426 -10.006 1.223 261 1HB ALA 37 HB1 ALA 37 -7.169 -8.900 -0.943 262 2HB ALA 37 HB2 ALA 37 -7.759 -7.779 0.284 263 3HB ALA 37 HB3 ALA 37 -8.871 -8.442 -0.916 264 H ALA 38 HN ALA 38 -10.780 -10.022 0.114 265 HA ALA 38 HA ALA 38 -11.887 -8.414 2.138 266 1HB ALA 38 HB1 ALA 38 -14.027 -9.426 1.532 267 2HB ALA 38 HB2 ALA 38 -13.188 -10.700 0.645 268 3HB ALA 38 HB3 ALA 38 -13.097 -9.029 0.087 269 H TYR 39 HN TYR 39 -11.229 -11.876 1.963 270 HA TYR 39 HA TYR 39 -12.422 -12.533 4.453 271 1HB TYR 39 HB2 TYR 39 -11.399 -13.983 2.338 272 2HB TYR 39 HB1 TYR 39 -10.190 -14.259 3.586 273 HD1 TYR 39 HD2 TYR 39 -13.766 -13.724 4.318 274 HD2 TYR 39 HD1 TYR 39 -10.665 -16.608 3.872 275 HE1 TYR 39 HE2 TYR 39 -15.225 -15.440 5.301 276 HE2 TYR 39 HE1 TYR 39 -12.121 -18.328 4.855 277 HH TYR 39 HH TYR 39 -14.118 -18.400 6.391 278 H ALA 40 HN ALA 40 -9.204 -11.521 3.462 279 HA ALA 40 HA ALA 40 -7.945 -11.817 5.994 280 1HB ALA 40 HB1 ALA 40 -6.659 -11.591 3.921 281 2HB ALA 40 HB2 ALA 40 -6.206 -10.349 5.087 282 3HB ALA 40 HB3 ALA 40 -7.251 -9.941 3.725 283 H LEU 41 HN LEU 41 -9.941 -9.363 4.532 284 HA LEU 41 HA LEU 41 -9.555 -7.438 6.665 285 1HB LEU 41 HB2 LEU 41 -11.527 -7.501 4.370 286 2HB LEU 41 HB1 LEU 41 -11.340 -6.163 5.488 287 HG LEU 41 HG LEU 41 -9.214 -7.149 3.575 288 1HD1 LEU 41 HD11 LEU 41 -10.945 -4.679 3.471 289 2HD1 LEU 41 HD12 LEU 41 -11.051 -6.076 2.399 290 3HD1 LEU 41 HD13 LEU 41 -9.614 -5.056 2.375 291 1HD2 LEU 41 HD21 LEU 41 -9.235 -4.752 5.413 292 2HD2 LEU 41 HD22 LEU 41 -7.986 -5.138 4.229 293 3HD2 LEU 41 HD23 LEU 41 -8.251 -6.204 5.607 294 H LYS 42 HN LYS 42 -10.937 -10.301 6.702 295 HA LYS 42 HA LYS 42 -12.346 -11.366 8.123 296 1HB LYS 42 HB2 LYS 42 -12.996 -8.731 9.443 297 2HB LYS 42 HB1 LYS 42 -13.036 -10.342 10.149 298 1HG LYS 42 HG2 LYS 42 -10.564 -8.847 9.302 299 2HG LYS 42 HG1 LYS 42 -11.144 -9.023 10.959 300 1HD LYS 42 HD2 LYS 42 -10.820 -11.447 10.831 301 2HD LYS 42 HD1 LYS 42 -10.300 -11.301 9.150 302 1HE LYS 42 HE2 LYS 42 -8.383 -9.952 9.853 303 2HE LYS 42 HE1 LYS 42 -8.907 -10.068 11.532 304 1HZ LYS 42 HZ1 LYS 42 -8.592 -12.468 11.415 305 2HZ LYS 42 HZ2 LYS 42 -7.157 -11.644 11.062 306 3HZ LYS 42 HZ3 LYS 42 -8.061 -12.337 9.816 307 H ASP 43 HN ASP 43 -13.200 -9.475 5.764 308 HA ASP 43 HA ASP 43 -16.022 -9.097 6.389 309 1HB ASP 43 HB2 ASP 43 -14.612 -7.299 5.324 310 2HB ASP 43 HB1 ASP 43 -14.505 -8.310 3.887 311 H PHE 44 HN PHE 44 -16.470 -11.388 6.440 312 HA PHE 44 HA PHE 44 -16.176 -12.980 4.094 313 1HB PHE 44 HB2 PHE 44 -17.633 -14.616 5.259 314 2HB PHE 44 HB1 PHE 44 -16.268 -14.093 6.232 315 HD1 PHE 44 HD1 PHE 44 -19.924 -13.773 5.778 316 HD2 PHE 44 HD2 PHE 44 -16.589 -13.009 8.323 317 HE1 PHE 44 HE1 PHE 44 -21.457 -13.226 7.621 318 HE2 PHE 44 HE2 PHE 44 -18.122 -12.457 10.163 319 HZ PHE 44 HZ PHE 44 -20.556 -12.566 9.815 320 H ASP 45 HN ASP 45 -18.287 -10.505 4.899 321 HA ASP 45 HA ASP 45 -20.714 -11.301 3.765 322 1HB ASP 45 HB2 ASP 45 -20.509 -9.272 5.103 323 2HB ASP 45 HB1 ASP 45 -19.466 -8.542 3.887 324 H TYR 46 HN TYR 46 -17.981 -9.569 2.248 325 HA TYR 46 HA TYR 46 -19.073 -9.551 -0.360 326 1HB TYR 46 HB2 TYR 46 -17.235 -8.067 0.212 327 2HB TYR 46 HB1 TYR 46 -16.178 -9.433 0.547 328 HD1 TYR 46 HD1 TYR 46 -18.116 -7.816 -2.199 329 HD2 TYR 46 HD2 TYR 46 -14.834 -10.327 -1.162 330 HE1 TYR 46 HE1 TYR 46 -17.367 -7.803 -4.540 331 HE2 TYR 46 HE2 TYR 46 -14.081 -10.317 -3.500 332 HH TYR 46 HH TYR 46 -15.071 -9.966 -5.743 333 H ILE 47 HN ILE 47 -17.237 -11.921 1.433 334 HA ILE 47 HA ILE 47 -16.539 -13.653 -0.678 335 HB ILE 47 HB ILE 47 -17.179 -14.418 2.184 336 1HG1 ILE 47 HG12 ILE 47 -15.482 -12.640 2.084 337 2HG1 ILE 47 HG11 ILE 47 -14.778 -14.161 2.617 338 1HG2 ILE 47 HG21 ILE 47 -17.086 -16.347 0.698 339 2HG2 ILE 47 HG22 ILE 47 -15.690 -16.332 1.776 340 3HG2 ILE 47 HG23 ILE 47 -15.511 -15.830 0.094 341 1HD1 ILE 47 HD11 ILE 47 -14.583 -13.002 -0.150 342 2HD1 ILE 47 HD12 ILE 47 -13.871 -14.524 0.387 343 3HD1 ILE 47 HD13 ILE 47 -13.318 -12.999 1.078 344 H VAL 48 HN VAL 48 -19.364 -13.541 1.458 345 HA VAL 48 HA VAL 48 -20.752 -15.766 0.540 346 HB VAL 48 HB VAL 48 -21.870 -13.116 1.509 347 1HG1 VAL 48 HG11 VAL 48 -23.583 -14.368 0.302 348 2HG1 VAL 48 HG12 VAL 48 -23.925 -14.351 2.031 349 3HG1 VAL 48 HG13 VAL 48 -23.249 -15.797 1.281 350 1HG2 VAL 48 HG21 VAL 48 -21.338 -15.693 3.001 351 2HG2 VAL 48 HG22 VAL 48 -22.075 -14.240 3.677 352 3HG2 VAL 48 HG23 VAL 48 -20.399 -14.205 3.132 353 H GLU 49 HN GLU 49 -20.767 -12.432 -0.680 354 HA GLU 49 HA GLU 49 -22.712 -12.771 -2.680 355 1HB GLU 49 HB2 GLU 49 -20.363 -10.863 -2.593 356 2HB GLU 49 HB1 GLU 49 -21.693 -10.760 -3.738 357 1HG GLU 49 HG2 GLU 49 -23.237 -10.521 -1.769 358 2HG GLU 49 HG1 GLU 49 -21.799 -10.373 -0.757 359 H THR 50 HN THR 50 -19.189 -13.149 -2.768 360 HA THR 50 HA THR 50 -19.200 -13.596 -5.625 361 HB THR 50 HB THR 50 -16.706 -13.955 -5.257 362 HG1 THR 50 HG1 THR 50 -17.198 -12.816 -2.701 363 1HG2 THR 50 HG21 THR 50 -17.644 -11.820 -6.022 364 2HG2 THR 50 HG22 THR 50 -16.266 -11.566 -4.950 365 3HG2 THR 50 HG23 THR 50 -17.907 -11.333 -4.346 366 H THR 51 HN THR 51 -20.172 -15.538 -3.295 367 HA THR 51 HA THR 51 -18.885 -17.939 -4.364 368 HB THR 51 HB THR 51 -20.798 -17.639 -2.034 369 HG1 THR 51 HG1 THR 51 -18.657 -16.818 -1.700 370 1HG2 THR 51 HG21 THR 51 -21.011 -19.843 -3.121 371 2HG2 THR 51 HG22 THR 51 -20.251 -19.982 -1.534 372 3HG2 THR 51 HG23 THR 51 -19.266 -20.071 -2.996 373 H ASP 52 HN ASP 52 -20.071 -19.588 -5.313 374 HA ASP 52 HA ASP 52 -22.003 -18.969 -7.161 375 1HB ASP 52 HB2 ASP 52 -20.573 -21.101 -6.915 376 2HB ASP 52 HB1 ASP 52 -21.831 -21.677 -5.836 377 HA PRO 53 HA PRO 53 -25.732 -18.234 -4.840 378 1HB PRO 53 HB2 PRO 53 -27.503 -19.222 -6.781 379 2HB PRO 53 HB1 PRO 53 -26.910 -17.564 -6.669 380 1HG PRO 53 HG2 PRO 53 -25.944 -19.813 -8.383 381 2HG PRO 53 HG1 PRO 53 -26.082 -18.086 -8.767 382 1HD PRO 53 HD2 PRO 53 -23.709 -19.191 -8.220 383 2HD PRO 53 HD1 PRO 53 -24.103 -17.557 -7.646 384 H GLU 54 HN GLU 54 -25.012 -21.351 -6.291 385 HA GLU 54 HA GLU 54 -26.998 -22.762 -4.729 386 1HB GLU 54 HB2 GLU 54 -24.699 -23.862 -6.369 387 2HB GLU 54 HB1 GLU 54 -26.057 -24.783 -5.736 388 1HG GLU 54 HG2 GLU 54 -26.148 -22.640 -7.853 389 2HG GLU 54 HG1 GLU 54 -26.385 -24.372 -8.080 390 H ARG 55 HN ARG 55 -23.491 -22.297 -4.677 391 HA ARG 55 HA ARG 55 -23.085 -24.103 -2.462 392 1HB ARG 55 HB2 ARG 55 -21.171 -22.057 -3.605 393 2HB ARG 55 HB1 ARG 55 -20.757 -23.413 -2.564 394 1HG ARG 55 HG2 ARG 55 -21.823 -23.594 -5.375 395 2HG ARG 55 HG1 ARG 55 -20.154 -23.843 -4.876 396 1HD ARG 55 HD2 ARG 55 -21.003 -25.719 -3.404 397 2HD ARG 55 HD1 ARG 55 -22.554 -25.549 -4.233 398 HE ARG 55 HE ARG 55 -20.549 -25.798 -6.164 399 1HH1 ARG 55 HH11 ARG 55 -22.173 -27.756 -3.766 400 2HH1 ARG 55 HH12 ARG 55 -21.743 -29.258 -4.523 401 1HH2 ARG 55 HH21 ARG 55 -19.979 -27.761 -7.167 402 2HH2 ARG 55 HH22 ARG 55 -20.484 -29.262 -6.454 403 H ARG 56 HN ARG 56 -23.923 -20.827 -2.835 404 HA ARG 56 HA ARG 56 -22.739 -19.641 -0.588 405 1HB ARG 56 HB2 ARG 56 -23.803 -18.426 -2.477 406 2HB ARG 56 HB1 ARG 56 -25.379 -18.953 -1.903 407 1HG ARG 56 HG2 ARG 56 -25.065 -17.695 0.161 408 2HG ARG 56 HG1 ARG 56 -23.459 -17.198 -0.376 409 1HD ARG 56 HD2 ARG 56 -26.073 -16.535 -1.734 410 2HD ARG 56 HD1 ARG 56 -25.101 -15.434 -0.757 411 HE ARG 56 HE ARG 56 -23.316 -16.025 -2.572 412 1HH1 ARG 56 HH11 ARG 56 -26.742 -15.534 -3.099 413 2HH1 ARG 56 HH12 ARG 56 -26.524 -14.860 -4.685 414 1HH2 ARG 56 HH21 ARG 56 -23.032 -15.149 -4.670 415 2HH2 ARG 56 HH22 ARG 56 -24.427 -14.637 -5.572 416 H ASP 57 HN ASP 57 -25.499 -21.704 -0.929 417 HA ASP 57 HA ASP 57 -26.740 -21.135 1.574 418 1HB ASP 57 HB2 ASP 57 -27.940 -22.183 -0.319 419 2HB ASP 57 HB1 ASP 57 -26.923 -23.611 -0.172 420 H LEU 58 HN LEU 58 -24.034 -23.023 0.607 421 HA LEU 58 HA LEU 58 -24.071 -24.873 2.806 422 1HB LEU 58 HB2 LEU 58 -21.789 -24.190 0.944 423 2HB LEU 58 HB1 LEU 58 -21.914 -25.611 1.965 424 HG LEU 58 HG LEU 58 -23.658 -24.978 -0.425 425 1HD1 LEU 58 HD11 LEU 58 -22.572 -26.922 -1.442 426 2HD1 LEU 58 HD12 LEU 58 -21.535 -27.088 -0.026 427 3HD1 LEU 58 HD13 LEU 58 -21.407 -25.658 -1.050 428 1HD2 LEU 58 HD21 LEU 58 -23.687 -27.382 1.405 429 2HD2 LEU 58 HD22 LEU 58 -24.618 -27.209 -0.083 430 3HD2 LEU 58 HD23 LEU 58 -24.940 -26.146 1.286 431 H PHE 59 HN PHE 59 -23.179 -21.643 2.486 432 HA PHE 59 HA PHE 59 -20.954 -21.624 4.303 433 1HB PHE 59 HB2 PHE 59 -22.599 -19.501 2.947 434 2HB PHE 59 HB1 PHE 59 -21.492 -19.065 4.243 435 HD1 PHE 59 HD1 PHE 59 -20.641 -21.839 2.013 436 HD2 PHE 59 HD2 PHE 59 -20.215 -17.655 2.716 437 HE1 PHE 59 HE1 PHE 59 -18.770 -21.762 0.418 438 HE2 PHE 59 HE2 PHE 59 -18.343 -17.581 1.124 439 HZ PHE 59 HZ PHE 59 -17.618 -19.633 -0.026 440 H ASP 60 HN ASP 60 -20.941 -20.456 6.339 441 HA ASP 60 HA ASP 60 -23.439 -20.038 7.724 442 1HB ASP 60 HB2 ASP 60 -23.164 -22.478 7.975 443 2HB ASP 60 HB1 ASP 60 -21.557 -22.231 8.654 444 H HIS 61 HN HIS 61 -23.212 -18.729 9.493 445 HA HIS 61 HA HIS 61 -21.137 -16.896 9.479 446 1HB HIS 61 HB2 HIS 61 -23.075 -17.566 11.706 447 2HB HIS 61 HB1 HIS 61 -22.029 -16.151 11.704 448 HD1 HIS 61 HD1 HIS 61 -25.279 -17.351 10.538 449 HD2 HIS 61 HD2 HIS 61 -22.659 -14.271 9.568 450 HE1 HIS 61 HE1 HIS 61 -26.629 -15.710 9.200 451 HE2 HIS 61 HE2 HIS 61 -25.002 -13.910 8.530 452 H ASP 62 HN ASP 62 -21.568 -19.715 11.588 453 HA ASP 62 HA ASP 62 -19.516 -19.158 13.428 454 1HB ASP 62 HB2 ASP 62 -21.278 -20.909 13.728 455 2HB ASP 62 HB1 ASP 62 -20.470 -21.890 12.524 456 H VAL 63 HN VAL 63 -19.530 -21.228 10.565 457 HA VAL 63 HA VAL 63 -16.898 -22.180 10.982 458 HB VAL 63 HB VAL 63 -18.328 -22.268 8.326 459 1HG1 VAL 63 HG11 VAL 63 -16.436 -24.149 9.735 460 2HG1 VAL 63 HG12 VAL 63 -16.048 -23.100 8.370 461 3HG1 VAL 63 HG13 VAL 63 -17.176 -24.440 8.159 462 1HG2 VAL 63 HG21 VAL 63 -18.827 -24.063 10.714 463 2HG2 VAL 63 HG22 VAL 63 -19.460 -24.317 9.087 464 3HG2 VAL 63 HG23 VAL 63 -19.968 -22.910 10.021 465 H ASN 64 HN ASN 64 -18.268 -19.743 8.787 466 HA ASN 64 HA ASN 64 -15.859 -19.139 7.441 467 1HB ASN 64 HB2 ASN 64 -18.373 -17.512 7.873 468 2HB ASN 64 HB1 ASN 64 -17.021 -16.932 6.906 469 1HD2 ASN 64 HD21 ASN 64 -16.483 -18.051 4.983 470 2HD2 ASN 64 HD22 ASN 64 -17.660 -19.020 4.166 471 H ARG 65 HN ARG 65 -17.344 -17.831 10.361 472 HA ARG 65 HA ARG 65 -15.480 -15.787 10.892 473 1HB ARG 65 HB2 ARG 65 -17.583 -15.879 12.089 474 2HB ARG 65 HB1 ARG 65 -17.198 -17.465 12.738 475 1HG ARG 65 HG2 ARG 65 -16.897 -15.914 14.494 476 2HG ARG 65 HG1 ARG 65 -15.285 -16.393 13.970 477 1HD ARG 65 HD2 ARG 65 -15.120 -14.325 12.647 478 2HD ARG 65 HD1 ARG 65 -16.722 -13.848 13.210 479 HE ARG 65 HE ARG 65 -14.338 -14.127 14.932 480 1HH1 ARG 65 HH11 ARG 65 -17.482 -12.709 14.284 481 2HH1 ARG 65 HH12 ARG 65 -17.388 -11.610 15.626 482 1HH2 ARG 65 HH21 ARG 65 -14.227 -12.669 16.677 483 2HH2 ARG 65 HH22 ARG 65 -15.552 -11.587 16.974 484 H ALA 66 HN ALA 66 -15.674 -19.111 12.127 485 HA ALA 66 HA ALA 66 -13.487 -19.105 13.806 486 1HB ALA 66 HB1 ALA 66 -13.516 -21.542 13.613 487 2HB ALA 66 HB2 ALA 66 -14.532 -21.423 12.175 488 3HB ALA 66 HB3 ALA 66 -15.152 -20.895 13.741 489 H TRP 67 HN TRP 67 -13.591 -19.924 10.352 490 HA TRP 67 HA TRP 67 -10.999 -20.904 10.105 491 1HB TRP 67 HB2 TRP 67 -12.709 -21.161 8.356 492 2HB TRP 67 HB1 TRP 67 -12.626 -19.435 8.014 493 HD1 TRP 67 HD1 TRP 67 -10.919 -18.715 6.208 494 HE1 TRP 67 HE1 TRP 67 -8.993 -19.865 4.952 495 HE3 TRP 67 HE3 TRP 67 -10.782 -23.127 8.790 496 HZ2 TRP 67 HZ2 TRP 67 -7.596 -22.315 5.041 497 HZ3 TRP 67 HZ3 TRP 67 -9.118 -24.822 8.144 498 HH2 TRP 67 HH2 TRP 67 -7.558 -24.423 6.307 499 H MET 68 HN MET 68 -12.160 -17.565 9.560 500 HA MET 68 HA MET 68 -9.561 -16.612 8.849 501 1HB MET 68 HB2 MET 68 -10.530 -14.400 8.801 502 2HB MET 68 HB1 MET 68 -11.633 -15.532 8.036 503 1HG MET 68 HG2 MET 68 -13.007 -15.566 10.057 504 2HG MET 68 HG1 MET 68 -11.895 -14.437 10.832 505 1HE MET 68 HE1 MET 68 -13.870 -12.743 11.378 506 2HE MET 68 HE2 MET 68 -15.013 -13.878 10.661 507 3HE MET 68 HE3 MET 68 -15.032 -12.182 10.176 508 H GLU 69 HN GLU 69 -11.114 -17.205 11.824 509 HA GLU 69 HA GLU 69 -9.620 -15.337 13.414 510 1HB GLU 69 HB2 GLU 69 -11.235 -17.785 14.162 511 2HB GLU 69 HB1 GLU 69 -10.518 -16.682 15.330 512 1HG GLU 69 HG2 GLU 69 -12.469 -15.772 13.230 513 2HG GLU 69 HG1 GLU 69 -12.976 -16.367 14.808 514 H GLU 70 HN GLU 70 -9.492 -18.891 13.021 515 HA GLU 70 HA GLU 70 -7.050 -19.023 14.568 516 1HB GLU 70 HB2 GLU 70 -7.194 -21.469 14.142 517 2HB GLU 70 HB1 GLU 70 -8.638 -20.796 14.884 518 1HG GLU 70 HG2 GLU 70 -9.778 -20.818 12.733 519 2HG GLU 70 HG1 GLU 70 -8.323 -21.442 11.954 520 H SER 71 HN SER 71 -7.925 -18.963 11.202 521 HA SER 71 HA SER 71 -5.161 -19.637 10.442 522 1HB SER 71 HB2 SER 71 -7.597 -19.456 8.646 523 2HB SER 71 HB1 SER 71 -6.006 -20.086 8.214 524 HG SER 71 HG SER 71 -8.079 -21.304 9.498 525 H ASP 72 HN ASP 72 -4.162 -17.686 10.836 526 HA ASP 72 HA ASP 72 -5.176 -15.205 9.768 527 1HB ASP 72 HB2 ASP 72 -2.540 -15.977 11.040 528 2HB ASP 72 HB1 ASP 72 -2.832 -14.367 10.392 529 H PHE 73 HN PHE 73 -4.968 -14.545 7.723 530 HA PHE 73 HA PHE 73 -3.584 -16.192 5.828 531 1HB PHE 73 HB2 PHE 73 -5.039 -13.561 5.448 532 2HB PHE 73 HB1 PHE 73 -4.483 -14.613 4.148 533 HD1 PHE 73 HD2 PHE 73 -5.466 -16.913 3.931 534 HD2 PHE 73 HD1 PHE 73 -7.094 -13.972 6.552 535 HE1 PHE 73 HE2 PHE 73 -7.569 -18.183 4.048 536 HE2 PHE 73 HE1 PHE 73 -9.199 -15.242 6.672 537 HZ PHE 73 HZ PHE 73 -9.437 -17.349 5.418 538 H LEU 74 HN LEU 74 -1.495 -16.074 5.442 539 HA LEU 74 HA LEU 74 0.001 -13.641 6.039 540 1HB LEU 74 HB2 LEU 74 0.732 -16.513 5.591 541 2HB LEU 74 HB1 LEU 74 1.952 -15.283 5.337 542 HG LEU 74 HG LEU 74 1.715 -14.548 7.676 543 1HD1 LEU 74 HD11 LEU 74 -0.607 -15.121 8.078 544 2HD1 LEU 74 HD12 LEU 74 0.435 -15.892 9.274 545 3HD1 LEU 74 HD13 LEU 74 -0.229 -16.839 7.941 546 1HD2 LEU 74 HD21 LEU 74 2.212 -17.511 7.365 547 2HD2 LEU 74 HD22 LEU 74 2.740 -16.513 8.721 548 3HD2 LEU 74 HD23 LEU 74 3.390 -16.222 7.107 549 H GLU 75 HN GLU 75 -0.432 -15.916 3.317 550 HA GLU 75 HA GLU 75 0.476 -13.883 1.439 551 1HB GLU 75 HB2 GLU 75 2.564 -14.814 2.228 552 2HB GLU 75 HB1 GLU 75 1.976 -16.450 2.001 553 1HG GLU 75 HG2 GLU 75 2.014 -16.176 -0.399 554 2HG GLU 75 HG1 GLU 75 2.472 -14.481 -0.224 555 H LEU 76 HN LEU 76 -0.027 -14.338 -0.715 556 HA LEU 76 HA LEU 76 -1.669 -16.736 -1.224 557 1HB LEU 76 HB2 LEU 76 -3.013 -14.620 -0.899 558 2HB LEU 76 HB1 LEU 76 -2.208 -13.952 -2.299 559 HG LEU 76 HG LEU 76 -4.557 -14.839 -2.653 560 1HD1 LEU 76 HD11 LEU 76 -2.402 -16.042 -4.386 561 2HD1 LEU 76 HD12 LEU 76 -3.039 -14.403 -4.518 562 3HD1 LEU 76 HD13 LEU 76 -4.088 -15.784 -4.836 563 1HD2 LEU 76 HD21 LEU 76 -4.398 -16.855 -1.306 564 2HD2 LEU 76 HD22 LEU 76 -3.170 -17.509 -2.392 565 3HD2 LEU 76 HD23 LEU 76 -4.816 -17.255 -2.972 566 H ARG 77 HN ARG 77 -1.270 -17.746 -3.170 567 HA ARG 77 HA ARG 77 0.574 -16.493 -5.061 568 1HB ARG 77 HB2 ARG 77 2.039 -17.655 -3.514 569 2HB ARG 77 HB1 ARG 77 1.087 -19.127 -3.658 570 1HG ARG 77 HG2 ARG 77 1.786 -19.443 -5.924 571 2HG ARG 77 HG1 ARG 77 2.578 -17.863 -5.957 572 1HD ARG 77 HD2 ARG 77 3.368 -20.276 -4.321 573 2HD ARG 77 HD1 ARG 77 4.257 -19.566 -5.671 574 HE ARG 77 HE ARG 77 4.412 -17.523 -4.162 575 1HH1 ARG 77 HH11 ARG 77 4.358 -20.817 -2.963 576 2HH1 ARG 77 HH12 ARG 77 5.115 -20.404 -1.455 577 1HH2 ARG 77 HH21 ARG 77 5.441 -17.001 -2.198 578 2HH2 ARG 77 HH22 ARG 77 5.739 -18.247 -1.026 579 H VAL 78 HN VAL 78 -0.575 -16.583 -6.869 580 HA VAL 78 HA VAL 78 -2.384 -18.756 -7.465 581 HB VAL 78 HB VAL 78 -1.512 -16.374 -9.116 582 1HG1 VAL 78 HG11 VAL 78 -3.716 -18.375 -9.662 583 2HG1 VAL 78 HG12 VAL 78 -2.226 -18.190 -10.586 584 3HG1 VAL 78 HG13 VAL 78 -3.427 -16.898 -10.582 585 1HG2 VAL 78 HG21 VAL 78 -2.773 -15.750 -7.127 586 2HG2 VAL 78 HG22 VAL 78 -4.054 -16.881 -7.563 587 3HG2 VAL 78 HG23 VAL 78 -3.736 -15.475 -8.579 588 H LEU 79 HN LEU 79 -1.907 -20.544 -8.603 589 HA LEU 79 HA LEU 79 0.829 -20.826 -9.619 590 1HB LEU 79 HB2 LEU 79 -1.285 -22.919 -9.082 591 2HB LEU 79 HB1 LEU 79 0.362 -23.244 -9.588 592 HG LEU 79 HG LEU 79 -0.518 -22.055 -6.952 593 1HD1 LEU 79 HD11 LEU 79 0.809 -24.678 -7.629 594 2HD1 LEU 79 HD12 LEU 79 -0.863 -24.452 -7.112 595 3HD1 LEU 79 HD13 LEU 79 0.458 -24.089 -6.004 596 1HD2 LEU 79 HD21 LEU 79 1.857 -22.092 -6.327 597 2HD2 LEU 79 HD22 LEU 79 1.546 -20.982 -7.660 598 3HD2 LEU 79 HD23 LEU 79 2.280 -22.555 -7.976 599 H GLY 80 HN GLY 80 -2.523 -21.482 -10.609 600 1HA GLY 80 HA2 GLY 80 -1.822 -20.921 -13.377 601 2HA GLY 80 HA1 GLY 80 -2.336 -22.570 -13.044 602 H SER 81 HN SER 81 -3.502 -20.175 -14.533 603 HA SER 81 HA SER 81 -6.193 -20.296 -13.332 604 1HB SER 81 HB2 SER 81 -5.032 -17.972 -14.901 605 2HB SER 81 HB1 SER 81 -6.576 -18.015 -14.048 606 HG SER 81 HG SER 81 -4.748 -16.958 -12.946 607 H SER 82 HN SER 82 -7.881 -20.714 -14.753 608 HA SER 82 HA SER 82 -7.367 -20.731 -17.619 609 1HB SER 82 HB2 SER 82 -6.689 -22.998 -16.726 610 2HB SER 82 HB1 SER 82 -8.366 -23.238 -16.237 611 HG SER 82 HG SER 82 -7.619 -24.046 -18.399 612 H GLU 83 HN GLU 83 -9.230 -20.610 -18.867 613 HA GLU 83 HA GLU 83 -11.774 -20.286 -17.415 614 1HB GLU 83 HB2 GLU 83 -10.790 -18.066 -17.869 615 2HB GLU 83 HB1 GLU 83 -10.684 -18.461 -19.579 616 1HG GLU 83 HG2 GLU 83 -13.155 -18.663 -19.643 617 2HG GLU 83 HG1 GLU 83 -13.208 -18.147 -17.958 618 H LYS 84 HN LYS 84 -13.496 -21.189 -18.383 619 HA LYS 84 HA LYS 84 -13.280 -22.100 -21.178 620 1HB LYS 84 HB2 LYS 84 -14.644 -23.663 -18.964 621 2HB LYS 84 HB1 LYS 84 -14.405 -24.172 -20.627 622 1HG LYS 84 HG2 LYS 84 -12.212 -23.751 -18.601 623 2HG LYS 84 HG1 LYS 84 -12.893 -25.310 -19.067 624 1HD LYS 84 HD2 LYS 84 -11.459 -23.390 -20.905 625 2HD LYS 84 HD1 LYS 84 -10.767 -24.856 -20.214 626 1HE LYS 84 HE2 LYS 84 -12.451 -26.196 -21.403 627 2HE LYS 84 HE1 LYS 84 -13.127 -24.723 -22.099 628 1HZ LYS 84 HZ1 LYS 84 -11.690 -25.707 -23.694 629 2HZ LYS 84 HZ2 LYS 84 -10.428 -25.860 -22.580 630 3HZ LYS 84 HZ3 LYS 84 -10.904 -24.326 -23.111 631 H GLY 85 HN GLY 85 -14.364 -19.846 -21.161 632 1HA GLY 85 HA2 GLY 85 -16.255 -18.704 -21.795 633 2HA GLY 85 HA1 GLY 85 -17.123 -20.229 -21.764 634 H SER 86 HN SER 86 -18.491 -20.642 -20.114 635 HA SER 86 HA SER 86 -18.870 -18.515 -18.131 636 1HB SER 86 HB2 SER 86 -20.674 -20.829 -18.901 637 2HB SER 86 HB1 SER 86 -21.093 -19.523 -17.791 638 HG SER 86 HG SER 86 -20.995 -18.072 -19.481 639 H ARG 87 HN ARG 87 -17.092 -21.191 -18.234 640 HA ARG 87 HA ARG 87 -17.358 -21.664 -15.341 641 1HB ARG 87 HB2 ARG 87 -18.475 -23.514 -16.635 642 2HB ARG 87 HB1 ARG 87 -16.934 -23.850 -17.407 643 1HG ARG 87 HG2 ARG 87 -17.243 -25.444 -15.668 644 2HG ARG 87 HG1 ARG 87 -15.982 -24.327 -15.146 645 1HD ARG 87 HD2 ARG 87 -17.515 -23.181 -13.690 646 2HD ARG 87 HD1 ARG 87 -18.883 -24.093 -14.333 647 HE ARG 87 HE ARG 87 -16.862 -25.780 -13.195 648 1HH1 ARG 87 HH11 ARG 87 -19.634 -23.793 -12.414 649 2HH1 ARG 87 HH12 ARG 87 -20.023 -24.661 -10.968 650 1HH2 ARG 87 HH21 ARG 87 -17.371 -26.944 -11.298 651 2HH2 ARG 87 HH22 ARG 87 -18.725 -26.462 -10.325 652 H GLY 88 HN GLY 88 -15.363 -21.865 -14.309 653 1HA GLY 88 HA2 GLY 88 -12.954 -22.081 -15.961 654 2HA GLY 88 HA1 GLY 88 -13.168 -20.598 -15.040 655 H THR 89 HN THR 89 -10.961 -21.854 -14.472 656 HA THR 89 HA THR 89 -11.392 -22.832 -11.769 657 HB THR 89 HB THR 89 -9.830 -24.485 -13.782 658 HG1 THR 89 HG1 THR 89 -12.460 -24.527 -13.020 659 1HG2 THR 89 HG21 THR 89 -9.620 -26.116 -11.962 660 2HG2 THR 89 HG22 THR 89 -10.457 -25.013 -10.869 661 3HG2 THR 89 HG23 THR 89 -8.876 -24.579 -11.521 662 H VAL 90 HN VAL 90 -9.690 -22.358 -10.429 663 HA VAL 90 HA VAL 90 -7.155 -21.520 -11.634 664 HB VAL 90 HB VAL 90 -8.335 -19.432 -11.210 665 1HG1 VAL 90 HG11 VAL 90 -9.016 -18.751 -8.960 666 2HG1 VAL 90 HG12 VAL 90 -8.571 -20.341 -8.340 667 3HG1 VAL 90 HG13 VAL 90 -9.895 -20.183 -9.494 668 1HG2 VAL 90 HG21 VAL 90 -6.158 -19.905 -9.166 669 2HG2 VAL 90 HG22 VAL 90 -6.699 -18.331 -9.754 670 3HG2 VAL 90 HG23 VAL 90 -5.918 -19.463 -10.858 671 H GLU 91 HN GLU 91 -5.512 -22.494 -10.717 672 HA GLU 91 HA GLU 91 -5.867 -23.821 -8.121 673 1HB GLU 91 HB2 GLU 91 -5.148 -25.190 -10.090 674 2HB GLU 91 HB1 GLU 91 -3.690 -24.212 -10.196 675 1HG GLU 91 HG2 GLU 91 -3.101 -24.940 -7.893 676 2HG GLU 91 HG1 GLU 91 -4.501 -26.012 -7.920 677 H PHE 92 HN PHE 92 -4.658 -23.209 -6.379 678 HA PHE 92 HA PHE 92 -2.395 -21.442 -6.683 679 1HB PHE 92 HB2 PHE 92 -3.446 -19.604 -5.335 680 2HB PHE 92 HB1 PHE 92 -4.135 -19.800 -6.943 681 HD1 PHE 92 HD2 PHE 92 -6.397 -20.636 -7.242 682 HD2 PHE 92 HD1 PHE 92 -4.737 -20.143 -3.347 683 HE1 PHE 92 HE2 PHE 92 -8.642 -20.840 -6.261 684 HE2 PHE 92 HE1 PHE 92 -6.981 -20.348 -2.366 685 HZ PHE 92 HZ PHE 92 -8.937 -20.696 -3.822 686 H ILE 93 HN ILE 93 -1.865 -20.516 -4.397 687 HA ILE 93 HA ILE 93 -2.227 -22.614 -2.366 688 HB ILE 93 HB ILE 93 0.319 -21.181 -3.169 689 1HG1 ILE 93 HG12 ILE 93 -0.337 -24.125 -2.821 690 2HG1 ILE 93 HG11 ILE 93 -0.223 -23.284 -4.361 691 1HG2 ILE 93 HG21 ILE 93 0.161 -21.042 -0.744 692 2HG2 ILE 93 HG22 ILE 93 1.405 -22.203 -1.205 693 3HG2 ILE 93 HG23 ILE 93 -0.167 -22.772 -0.642 694 1HD1 ILE 93 HD11 ILE 93 2.021 -23.717 -2.402 695 2HD1 ILE 93 HD12 ILE 93 2.148 -22.843 -3.929 696 3HD1 ILE 93 HD13 ILE 93 1.777 -24.566 -3.928 697 H ALA 94 HN ALA 94 -3.307 -21.779 -0.722 698 HA ALA 94 HA ALA 94 -3.040 -18.937 -0.050 699 1HB ALA 94 HB1 ALA 94 -5.313 -19.834 -0.227 700 2HB ALA 94 HB2 ALA 94 -4.968 -19.308 1.420 701 3HB ALA 94 HB3 ALA 94 -4.950 -21.027 1.021 702 H ARG 95 HN ARG 95 -1.385 -18.501 1.261 703 HA ARG 95 HA ARG 95 -0.480 -20.500 3.199 704 1HB ARG 95 HB2 ARG 95 1.225 -19.493 1.759 705 2HB ARG 95 HB1 ARG 95 0.768 -17.886 2.309 706 1HG ARG 95 HG2 ARG 95 1.479 -18.493 4.596 707 2HG ARG 95 HG1 ARG 95 1.994 -20.072 3.996 708 1HD ARG 95 HD2 ARG 95 3.580 -18.969 2.483 709 2HD ARG 95 HD1 ARG 95 3.066 -17.397 3.094 710 HE ARG 95 HE ARG 95 3.904 -18.958 5.263 711 1HH1 ARG 95 HH11 ARG 95 5.234 -17.370 2.435 712 2HH1 ARG 95 HH12 ARG 95 6.802 -17.152 3.148 713 1HH2 ARG 95 HH21 ARG 95 5.951 -18.675 6.197 714 2HH2 ARG 95 HH22 ARG 95 7.215 -17.898 5.296 715 H PHE 96 HN PHE 96 -1.059 -20.376 5.235 716 HA PHE 96 HA PHE 96 -1.601 -17.801 6.494 717 1HB PHE 96 HB2 PHE 96 -3.696 -18.913 7.549 718 2HB PHE 96 HB1 PHE 96 -3.818 -18.302 5.903 719 HD1 PHE 96 HD1 PHE 96 -2.976 -21.468 7.723 720 HD2 PHE 96 HD2 PHE 96 -4.770 -19.663 4.304 721 HE1 PHE 96 HE1 PHE 96 -3.720 -23.679 6.945 722 HE2 PHE 96 HE2 PHE 96 -5.520 -21.873 3.530 723 HZ PHE 96 HZ PHE 96 -4.996 -23.883 4.851 724 H ARG 97 HN ARG 97 -1.941 -18.140 8.919 725 HA ARG 97 HA ARG 97 0.043 -20.060 9.851 726 1HB ARG 97 HB2 ARG 97 0.033 -17.674 10.664 727 2HB ARG 97 HB1 ARG 97 -1.490 -18.014 11.481 728 1HG ARG 97 HG2 ARG 97 -0.413 -19.692 12.864 729 2HG ARG 97 HG1 ARG 97 1.106 -19.461 11.996 730 1HD ARG 97 HD2 ARG 97 1.184 -18.287 14.105 731 2HD ARG 97 HD1 ARG 97 1.173 -17.127 12.778 732 HE ARG 97 HE ARG 97 -1.397 -17.752 14.003 733 1HH1 ARG 97 HH11 ARG 97 1.303 -15.545 13.707 734 2HH1 ARG 97 HH12 ARG 97 0.483 -14.230 14.488 735 1HH2 ARG 97 HH21 ARG 97 -2.485 -16.021 15.031 736 2HH2 ARG 97 HH22 ARG 97 -1.679 -14.497 15.230 737 H ARG 98 HN ARG 98 -0.496 -21.960 10.663 738 HA ARG 98 HA ARG 98 -3.289 -22.693 10.751 739 1HB ARG 98 HB2 ARG 98 -1.556 -24.134 9.680 740 2HB ARG 98 HB1 ARG 98 -0.809 -24.369 11.251 741 1HG ARG 98 HG2 ARG 98 -2.061 -26.310 10.837 742 2HG ARG 98 HG1 ARG 98 -3.005 -25.383 12.004 743 1HD ARG 98 HD2 ARG 98 -3.484 -25.464 9.020 744 2HD ARG 98 HD1 ARG 98 -4.399 -26.370 10.222 745 HE ARG 98 HE ARG 98 -4.575 -23.521 9.652 746 1HH1 ARG 98 HH11 ARG 98 -5.477 -26.160 11.772 747 2HH1 ARG 98 HH12 ARG 98 -6.862 -25.334 12.412 748 1HH2 ARG 98 HH21 ARG 98 -6.417 -22.446 10.480 749 2HH2 ARG 98 HH22 ARG 98 -7.404 -23.241 11.669 750 H GLY 99 HN GLY 99 -3.820 -21.346 12.592 751 1HA GLY 99 HA2 GLY 99 -4.554 -21.318 14.779 752 2HA GLY 99 HA1 GLY 99 -3.760 -22.866 15.031 753 H GLY 100 HN GLY 100 -2.883 -22.282 17.011 754 1HA GLY 100 HA2 GLY 100 -1.340 -19.850 17.285 755 2HA GLY 100 HA1 GLY 100 -1.618 -21.063 18.523 756 H GLY 101 HN GLY 101 0.429 -20.085 15.864 757 1HA GLY 101 HA2 GLY 101 2.828 -20.309 16.523 758 2HA GLY 101 HA1 GLY 101 2.467 -21.993 16.855 759 HA PRO 102 HA PRO 102 3.817 -23.180 12.930 760 1HB PRO 102 HB2 PRO 102 2.107 -25.138 12.156 761 2HB PRO 102 HB1 PRO 102 3.218 -25.330 13.519 762 1HG PRO 102 HG2 PRO 102 0.309 -24.563 13.553 763 2HG PRO 102 HG1 PRO 102 1.151 -25.777 14.540 764 1HD PRO 102 HD2 PRO 102 0.607 -23.322 15.490 765 2HD PRO 102 HD1 PRO 102 2.108 -24.171 15.920 766 H GLU 103 HN GLU 103 3.611 -23.022 10.692 767 HA GLU 103 HA GLU 103 1.309 -21.495 9.705 768 1HB GLU 103 HB2 GLU 103 4.058 -22.023 8.570 769 2HB GLU 103 HB1 GLU 103 2.772 -21.294 7.618 770 1HG GLU 103 HG2 GLU 103 2.648 -19.436 9.207 771 2HG GLU 103 HG1 GLU 103 3.941 -20.166 10.158 772 H GLN 104 HN GLN 104 0.689 -22.044 7.395 773 HA GLN 104 HA GLN 104 1.029 -24.740 6.482 774 1HB GLN 104 HB2 GLN 104 -0.701 -25.122 8.184 775 2HB GLN 104 HB1 GLN 104 -1.694 -23.852 7.485 776 1HG GLN 104 HG2 GLN 104 -2.540 -26.021 6.848 777 2HG GLN 104 HG1 GLN 104 -1.931 -25.168 5.432 778 1HE2 GLN 104 HE21 GLN 104 0.124 -26.745 7.803 779 2HE2 GLN 104 HE22 GLN 104 0.676 -28.004 6.756 780 H SER 105 HN SER 105 0.398 -24.945 4.324 781 HA SER 105 HA SER 105 -0.748 -22.540 3.068 782 1HB SER 105 HB2 SER 105 0.811 -22.919 1.132 783 2HB SER 105 HB1 SER 105 1.627 -22.442 2.619 784 HG SER 105 HG SER 105 1.746 -24.913 2.871 785 H HIS 106 HN HIS 106 -2.632 -23.097 2.242 786 HA HIS 106 HA HIS 106 -3.205 -25.875 1.635 787 1HB HIS 106 HB2 HIS 106 -4.802 -24.404 2.905 788 2HB HIS 106 HB1 HIS 106 -5.052 -23.482 1.427 789 HD1 HIS 106 HD1 HIS 106 -7.166 -24.144 0.333 790 HD2 HIS 106 HD2 HIS 106 -5.343 -27.365 2.223 791 HE1 HIS 106 HE1 HIS 106 -8.695 -26.099 -0.041 792 HE2 HIS 106 HE2 HIS 106 -7.665 -27.982 1.274 793 H HIS 107 HN HIS 107 -2.519 -26.575 -0.265 794 HA HIS 107 HA HIS 107 -2.599 -24.862 -2.631 795 1HB HIS 107 HB2 HIS 107 -0.570 -26.160 -2.293 796 2HB HIS 107 HB1 HIS 107 -1.496 -27.648 -2.171 797 HD1 HIS 107 HD1 HIS 107 0.026 -28.550 -4.118 798 HD2 HIS 107 HD2 HIS 107 -2.479 -25.399 -5.158 799 HE1 HIS 107 HE1 HIS 107 0.008 -28.505 -6.629 800 HE2 HIS 107 HE2 HIS 107 -1.415 -26.520 -7.234 801 H GLU 108 HN GLU 108 -4.621 -24.708 -3.419 802 HA GLU 108 HA GLU 108 -6.180 -27.197 -3.743 803 1HB GLU 108 HB2 GLU 108 -8.213 -25.904 -3.339 804 2HB GLU 108 HB1 GLU 108 -7.119 -25.781 -1.967 805 1HG GLU 108 HG2 GLU 108 -6.357 -23.581 -2.828 806 2HG GLU 108 HG1 GLU 108 -7.566 -23.703 -4.104 807 H ARG 109 HN ARG 109 -7.850 -27.041 -5.419 808 HA ARG 109 HA ARG 109 -7.255 -25.161 -7.596 809 1HB ARG 109 HB2 ARG 109 -6.200 -27.333 -8.139 810 2HB ARG 109 HB1 ARG 109 -7.741 -28.144 -7.899 811 1HG ARG 109 HG2 ARG 109 -8.693 -26.996 -9.804 812 2HG ARG 109 HG1 ARG 109 -7.217 -26.050 -10.008 813 1HD ARG 109 HD2 ARG 109 -7.314 -27.900 -11.607 814 2HD ARG 109 HD1 ARG 109 -5.960 -28.088 -10.493 815 HE ARG 109 HE ARG 109 -8.321 -29.475 -9.628 816 1HH1 ARG 109 HH11 ARG 109 -5.532 -29.680 -11.735 817 2HH1 ARG 109 HH12 ARG 109 -5.492 -31.415 -11.731 818 1HH2 ARG 109 HH21 ARG 109 -8.275 -31.767 -9.609 819 2HH2 ARG 109 HH22 ARG 109 -7.049 -32.604 -10.512 820 H SER 110 HN SER 110 -9.050 -23.934 -7.504 821 HA SER 110 HA SER 110 -11.608 -25.253 -6.896 822 1HB SER 110 HB2 SER 110 -10.680 -22.415 -6.401 823 2HB SER 110 HB1 SER 110 -12.325 -22.986 -6.101 824 HG SER 110 HG SER 110 -10.312 -23.129 -4.448 825 H GLN 111 HN GLN 111 -13.385 -24.936 -8.091 826 HA GLN 111 HA GLN 111 -13.025 -23.722 -10.732 827 1HB GLN 111 HB2 GLN 111 -15.184 -25.577 -9.682 828 2HB GLN 111 HB1 GLN 111 -15.108 -24.950 -11.322 829 1HG GLN 111 HG2 GLN 111 -14.280 -27.181 -11.344 830 2HG GLN 111 HG1 GLN 111 -12.917 -26.096 -11.600 831 1HE2 GLN 111 HE21 GLN 111 -11.416 -27.609 -10.907 832 2HE2 GLN 111 HE22 GLN 111 -11.253 -28.064 -9.247 833 H PHE 112 HN PHE 112 -14.372 -22.159 -11.514 834 HA PHE 112 HA PHE 112 -16.270 -20.892 -9.639 835 1HB PHE 112 HB2 PHE 112 -14.223 -19.548 -11.437 836 2HB PHE 112 HB1 PHE 112 -15.540 -18.690 -10.649 837 HD1 PHE 112 HD1 PHE 112 -12.659 -20.931 -9.833 838 HD2 PHE 112 HD2 PHE 112 -15.162 -17.716 -8.584 839 HE1 PHE 112 HE1 PHE 112 -11.255 -20.612 -7.841 840 HE2 PHE 112 HE2 PHE 112 -13.758 -17.398 -6.589 841 HZ PHE 112 HZ PHE 112 -11.803 -18.846 -6.215 842 H ARG 113 HN ARG 113 -18.198 -20.234 -10.570 843 HA ARG 113 HA ARG 113 -18.518 -20.718 -13.464 844 1HB ARG 113 HB2 ARG 113 -19.969 -22.136 -12.122 845 2HB ARG 113 HB1 ARG 113 -20.580 -20.742 -11.243 846 1HG ARG 113 HG2 ARG 113 -21.721 -19.923 -13.175 847 2HG ARG 113 HG1 ARG 113 -20.938 -21.117 -14.211 848 1HD ARG 113 HD2 ARG 113 -23.252 -21.735 -13.717 849 2HD ARG 113 HD1 ARG 113 -22.117 -22.915 -13.070 850 HE ARG 113 HE ARG 113 -22.494 -21.466 -10.906 851 1HH1 ARG 113 HH11 ARG 113 -24.884 -22.444 -13.276 852 2HH1 ARG 113 HH12 ARG 113 -26.167 -22.567 -12.119 853 1HH2 ARG 113 HH21 ARG 113 -24.193 -21.628 -9.377 854 2HH2 ARG 113 HH22 ARG 113 -25.783 -22.075 -9.914 855 H LYS 114 HN LYS 114 -19.318 -19.141 -14.764 856 HA LYS 114 HA LYS 114 -19.349 -16.435 -13.652 857 1HB LYS 114 HB2 LYS 114 -17.910 -17.097 -15.648 858 2HB LYS 114 HB1 LYS 114 -19.406 -17.211 -16.570 859 1HG LYS 114 HG2 LYS 114 -19.879 -14.862 -16.118 860 2HG LYS 114 HG1 LYS 114 -18.406 -14.743 -15.153 861 1HD LYS 114 HD2 LYS 114 -17.126 -15.423 -17.217 862 2HD LYS 114 HD1 LYS 114 -18.632 -15.241 -18.122 863 1HE LYS 114 HE2 LYS 114 -18.768 -12.901 -17.316 864 2HE LYS 114 HE1 LYS 114 -17.195 -13.104 -16.551 865 1HZ LYS 114 HZ1 LYS 114 -16.282 -13.626 -18.772 866 2HZ LYS 114 HZ2 LYS 114 -16.891 -12.053 -18.653 867 3HZ LYS 114 HZ3 LYS 114 -17.782 -13.241 -19.455 868 H ALA 115 HN ALA 115 -21.209 -15.468 -13.255 869 HA ALA 115 HA ALA 115 -23.533 -15.992 -14.973 870 1HB ALA 115 HB1 ALA 115 -23.614 -15.856 -11.950 871 2HB ALA 115 HB2 ALA 115 -23.854 -17.304 -12.929 872 3HB ALA 115 HB3 ALA 115 -25.015 -15.979 -13.015 873 H ARG 116 HN ARG 116 -24.528 -14.168 -15.630 874 HA ARG 116 HA ARG 116 -25.042 -11.969 -15.918 875 1HB ARG 116 HB2 ARG 116 -24.357 -11.790 -12.971 876 2HB ARG 116 HB1 ARG 116 -25.112 -10.502 -13.896 877 1HG ARG 116 HG2 ARG 116 -26.303 -13.232 -13.420 878 2HG ARG 116 HG1 ARG 116 -26.721 -11.763 -12.539 879 1HD ARG 116 HD2 ARG 116 -27.343 -10.754 -14.781 880 2HD ARG 116 HD1 ARG 116 -27.198 -12.381 -15.449 881 HE ARG 116 HE ARG 116 -28.877 -12.552 -13.245 882 1HH1 ARG 116 HH11 ARG 116 -28.886 -11.104 -16.435 883 2HH1 ARG 116 HH12 ARG 116 -30.617 -10.989 -16.512 884 1HH2 ARG 116 HH21 ARG 116 -31.142 -12.451 -13.363 885 2HH2 ARG 116 HH22 ARG 116 -31.906 -11.782 -14.774 886 H GLY 117 HN GLY 117 -22.161 -13.022 -16.002 887 1HA GLY 117 HA2 GLY 117 -20.261 -11.960 -16.887 888 2HA GLY 117 HA1 GLY 117 -20.883 -10.412 -16.332 889 H ARG 118 HN ARG 118 -21.386 -11.997 -13.680 890 HA ARG 118 HA ARG 118 -18.790 -11.329 -12.521 891 1HB ARG 118 HB2 ARG 118 -21.445 -12.070 -11.264 892 2HB ARG 118 HB1 ARG 118 -19.973 -11.834 -10.336 893 1HG ARG 118 HG2 ARG 118 -21.233 -9.837 -10.176 894 2HG ARG 118 HG1 ARG 118 -19.871 -9.501 -11.243 895 1HD ARG 118 HD2 ARG 118 -21.303 -9.702 -13.189 896 2HD ARG 118 HD1 ARG 118 -22.667 -10.171 -12.172 897 HE ARG 118 HE ARG 118 -21.583 -7.639 -11.414 898 1HH1 ARG 118 HH11 ARG 118 -23.634 -9.168 -13.798 899 2HH1 ARG 118 HH12 ARG 118 -24.629 -7.769 -14.030 900 1HH2 ARG 118 HH21 ARG 118 -22.863 -5.786 -11.736 901 2HH2 ARG 118 HH22 ARG 118 -24.180 -5.832 -12.867 902 H TRP 119 HN TRP 119 -17.536 -12.825 -11.377 903 HA TRP 119 HA TRP 119 -18.071 -15.630 -12.022 904 1HB TRP 119 HB2 TRP 119 -15.574 -14.144 -11.212 905 2HB TRP 119 HB1 TRP 119 -15.661 -15.902 -11.129 906 HD1 TRP 119 HD1 TRP 119 -15.699 -13.036 -13.703 907 HE1 TRP 119 HE1 TRP 119 -15.123 -14.028 -16.014 908 HE3 TRP 119 HE3 TRP 119 -15.697 -17.985 -12.476 909 HZ2 TRP 119 HZ2 TRP 119 -14.729 -16.573 -17.159 910 HZ3 TRP 119 HZ3 TRP 119 -15.218 -19.642 -14.235 911 HH2 TRP 119 HH2 TRP 119 -14.744 -18.949 -16.530 912 H TYR 120 HN TYR 120 -18.418 -17.141 -10.510 913 HA TYR 120 HA TYR 120 -18.494 -16.290 -7.688 914 1HB TYR 120 HB2 TYR 120 -20.492 -18.022 -9.172 915 2HB TYR 120 HB1 TYR 120 -20.501 -17.744 -7.436 916 HD1 TYR 120 HD2 TYR 120 -21.163 -16.244 -10.730 917 HD2 TYR 120 HD1 TYR 120 -21.269 -15.637 -6.515 918 HE1 TYR 120 HE2 TYR 120 -22.584 -14.263 -11.055 919 HE2 TYR 120 HE1 TYR 120 -22.695 -13.660 -6.832 920 HH TYR 120 HH TYR 120 -23.248 -12.038 -8.537 921 H PHE 121 HN PHE 121 -17.570 -17.662 -6.271 922 HA PHE 121 HA PHE 121 -16.013 -19.858 -7.089 923 1HB PHE 121 HB2 PHE 121 -15.383 -18.769 -5.088 924 2HB PHE 121 HB1 PHE 121 -16.991 -18.925 -4.389 925 HD1 PHE 121 HD1 PHE 121 -13.969 -20.833 -5.373 926 HD2 PHE 121 HD2 PHE 121 -17.570 -20.810 -3.093 927 HE1 PHE 121 HE1 PHE 121 -13.277 -22.905 -4.255 928 HE2 PHE 121 HE2 PHE 121 -16.880 -22.886 -1.973 929 HZ PHE 121 HZ PHE 121 -14.724 -23.934 -2.547 930 H SER 122 HN SER 122 -16.723 -21.750 -7.793 931 HA SER 122 HA SER 122 -19.471 -22.529 -7.177 932 1HB SER 122 HB2 SER 122 -17.558 -23.517 -9.303 933 2HB SER 122 HB1 SER 122 -19.232 -24.046 -9.115 934 HG SER 122 HG SER 122 -19.837 -21.821 -9.397 935 H GLU 123 HN GLU 123 -16.169 -23.653 -6.790 936 HA GLU 123 HA GLU 123 -16.746 -25.342 -4.648 937 1HB GLU 123 HB2 GLU 123 -16.365 -27.574 -5.776 938 2HB GLU 123 HB1 GLU 123 -17.915 -26.817 -6.119 939 1HG GLU 123 HG2 GLU 123 -16.795 -25.904 -8.236 940 2HG GLU 123 HG1 GLU 123 -15.524 -27.084 -7.914 941 H GLY 124 HN GLY 124 -14.876 -26.611 -3.975 942 1HA GLY 124 HA2 GLY 124 -12.372 -26.093 -5.377 943 2HA GLY 124 HA1 GLY 124 -12.538 -25.363 -3.785 944 H GLU 125 HN GLU 125 -10.722 -27.461 -4.813 945 HA GLU 125 HA GLU 125 -11.047 -29.317 -2.601 946 1HB GLU 125 HB2 GLU 125 -10.830 -31.307 -3.991 947 2HB GLU 125 HB1 GLU 125 -12.267 -30.407 -4.456 948 1HG GLU 125 HG2 GLU 125 -11.128 -29.513 -6.397 949 2HG GLU 125 HG1 GLU 125 -9.624 -30.293 -5.908 950 H ALA 126 HN ALA 126 -9.084 -30.681 -2.343 951 HA ALA 126 HA ALA 126 -6.683 -29.181 -2.920 952 1HB ALA 126 HB1 ALA 126 -7.043 -31.868 -1.573 953 2HB ALA 126 HB2 ALA 126 -6.941 -30.308 -0.758 954 3HB ALA 126 HB3 ALA 126 -5.545 -30.939 -1.633 955 H VAL 127 HN VAL 127 -5.680 -29.356 -4.821 956 HA VAL 127 HA VAL 127 -6.373 -31.174 -6.821 957 HB VAL 127 HB VAL 127 -5.359 -29.108 -7.456 958 1HG1 VAL 127 HG11 VAL 127 -2.869 -29.989 -5.992 959 2HG1 VAL 127 HG12 VAL 127 -3.986 -28.726 -5.474 960 3HG1 VAL 127 HG13 VAL 127 -3.044 -28.518 -6.950 961 1HG2 VAL 127 HG21 VAL 127 -3.586 -29.851 -8.984 962 2HG2 VAL 127 HG22 VAL 127 -4.940 -30.980 -8.969 963 3HG2 VAL 127 HG23 VAL 127 -3.457 -31.371 -8.098 964 H ASP 128 HN ASP 128 -6.154 -33.279 -6.679 965 HA ASP 128 HA ASP 128 -3.622 -34.420 -5.681 966 1HB ASP 128 HB2 ASP 128 -5.508 -34.992 -4.221 967 2HB ASP 128 HB1 ASP 128 -6.415 -35.607 -5.599 Start of MODEL 19 1 1H MET 1 HT1 MET 1 -0.021 -1.396 2.452 2 2H MET 1 HT2 MET 1 -1.472 -0.595 2.127 3 3H MET 1 HT3 MET 1 -0.266 0.177 3.021 4 HA MET 1 HA MET 1 -0.352 1.022 0.776 5 1HB MET 1 HB2 MET 1 1.813 0.963 1.957 6 2HB MET 1 HB1 MET 1 2.113 -0.655 1.338 7 1HG MET 1 HG2 MET 1 2.076 0.263 -0.962 8 2HG MET 1 HG1 MET 1 1.895 1.879 -0.281 9 1HE MET 1 HE1 MET 1 4.057 2.675 -1.658 10 2HE MET 1 HE2 MET 1 4.217 1.050 -2.325 11 3HE MET 1 HE3 MET 1 5.610 1.841 -1.586 12 H ASN 2 HN ASN 2 1.247 -2.150 0.457 13 HA ASN 2 HA ASN 2 0.118 -2.490 -2.190 14 1HB ASN 2 HB2 ASN 2 1.510 -4.470 -2.341 15 2HB ASN 2 HB1 ASN 2 2.470 -3.158 -1.669 16 1HD2 ASN 2 HD21 ASN 2 2.788 -6.069 -1.498 17 2HD2 ASN 2 HD22 ASN 2 2.835 -6.440 0.193 18 H CYS 3 HN CYS 3 -0.309 -5.276 -2.250 19 HA CYS 3 HA CYS 3 -2.543 -5.597 -0.363 20 1HB CYS 3 HB2 CYS 3 -2.978 -4.871 -2.934 21 2HB CYS 3 HB1 CYS 3 -2.979 -6.621 -3.115 22 H VAL 4 HN VAL 4 -2.840 -7.627 0.437 23 HA VAL 4 HA VAL 4 -0.694 -9.450 0.381 24 HB VAL 4 HB VAL 4 -2.083 -10.925 1.734 25 1HG1 VAL 4 HG11 VAL 4 -2.622 -9.393 3.573 26 2HG1 VAL 4 HG12 VAL 4 -2.485 -8.022 2.472 27 3HG1 VAL 4 HG13 VAL 4 -1.066 -9.003 2.838 28 1HG2 VAL 4 HG21 VAL 4 -4.439 -10.377 2.222 29 2HG2 VAL 4 HG22 VAL 4 -4.187 -10.757 0.518 30 3HG2 VAL 4 HG23 VAL 4 -4.375 -9.079 1.029 31 H CYS 5 HN CYS 5 -3.276 -9.058 -1.764 32 HA CYS 5 HA CYS 5 -3.691 -11.689 -2.700 33 1HB CYS 5 HB2 CYS 5 -3.887 -9.130 -4.311 34 2HB CYS 5 HB1 CYS 5 -4.716 -10.649 -4.630 35 H GLY 6 HN GLY 6 -3.067 -12.368 -5.004 36 1HA GLY 6 HA2 GLY 6 -0.261 -12.053 -5.519 37 2HA GLY 6 HA1 GLY 6 -1.433 -12.862 -6.556 38 H SER 7 HN SER 7 -0.963 -9.552 -5.358 39 HA SER 7 HA SER 7 -0.670 -8.411 -7.961 40 1HB SER 7 HB2 SER 7 -3.192 -7.739 -6.401 41 2HB SER 7 HB1 SER 7 -2.715 -7.088 -7.968 42 HG SER 7 HG SER 7 -2.747 -9.515 -8.526 43 H GLY 8 HN GLY 8 0.868 -6.936 -7.519 44 1HA GLY 8 HA2 GLY 8 1.420 -6.009 -4.887 45 2HA GLY 8 HA1 GLY 8 2.173 -5.439 -6.368 46 H LYS 9 HN LYS 9 -0.884 -4.980 -7.115 47 HA LYS 9 HA LYS 9 -0.832 -2.197 -6.850 48 1HB LYS 9 HB2 LYS 9 -3.366 -3.817 -7.141 49 2HB LYS 9 HB1 LYS 9 -3.058 -2.178 -7.705 50 1HG LYS 9 HG2 LYS 9 -1.154 -3.431 -9.072 51 2HG LYS 9 HG1 LYS 9 -2.268 -4.781 -8.884 52 1HD LYS 9 HD2 LYS 9 -2.909 -2.084 -10.095 53 2HD LYS 9 HD1 LYS 9 -2.669 -3.587 -10.983 54 1HE LYS 9 HE2 LYS 9 -4.652 -4.544 -10.024 55 2HE LYS 9 HE1 LYS 9 -4.836 -3.181 -8.918 56 1HZ LYS 9 HZ1 LYS 9 -5.008 -3.011 -11.878 57 2HZ LYS 9 HZ2 LYS 9 -5.241 -1.735 -10.794 58 3HZ LYS 9 HZ3 LYS 9 -6.331 -3.028 -10.827 59 H THR 10 HN THR 10 -2.414 -0.847 -5.704 60 HA THR 10 HA THR 10 -2.070 -1.263 -2.931 61 HB THR 10 HB THR 10 -3.261 0.851 -2.627 62 HG1 THR 10 HG1 THR 10 -4.183 1.888 -4.447 63 1HG2 THR 10 HG21 THR 10 -0.913 0.940 -3.336 64 2HG2 THR 10 HG22 THR 10 -1.830 2.295 -3.997 65 3HG2 THR 10 HG23 THR 10 -1.420 0.921 -5.025 66 H TYR 11 HN TYR 11 -3.924 -0.854 -1.377 67 HA TYR 11 HA TYR 11 -5.740 -2.927 -1.302 68 1HB TYR 11 HB2 TYR 11 -5.243 -1.618 0.670 69 2HB TYR 11 HB1 TYR 11 -5.891 -0.162 -0.072 70 HD1 TYR 11 HD2 TYR 11 -6.941 -3.594 0.982 71 HD2 TYR 11 HD1 TYR 11 -8.088 0.467 0.402 72 HE1 TYR 11 HE2 TYR 11 -9.126 -4.065 2.002 73 HE2 TYR 11 HE1 TYR 11 -10.276 0.001 1.421 74 HH TYR 11 HH TYR 11 -10.922 -2.852 3.148 75 H ASP 12 HN ASP 12 -6.375 0.438 -2.229 76 HA ASP 12 HA ASP 12 -9.041 -0.034 -3.072 77 1HB ASP 12 HB2 ASP 12 -8.189 2.193 -2.373 78 2HB ASP 12 HB1 ASP 12 -7.199 2.251 -3.827 79 H ASP 13 HN ASP 13 -6.017 0.494 -4.902 80 HA ASP 13 HA ASP 13 -7.168 0.468 -7.443 81 1HB ASP 13 HB2 ASP 13 -4.712 1.043 -6.667 82 2HB ASP 13 HB1 ASP 13 -4.407 -0.647 -7.047 83 H CYS 14 HN CYS 14 -6.123 -2.172 -5.400 84 HA CYS 14 HA CYS 14 -6.797 -4.131 -7.463 85 1HB CYS 14 HB2 CYS 14 -4.853 -4.811 -6.369 86 2HB CYS 14 HB1 CYS 14 -5.435 -4.315 -4.789 87 H CYS 15 HN CYS 15 -7.581 -4.017 -3.969 88 HA CYS 15 HA CYS 15 -9.869 -5.690 -4.436 89 1HB CYS 15 HB2 CYS 15 -8.594 -4.501 -1.999 90 2HB CYS 15 HB1 CYS 15 -10.194 -5.227 -1.894 91 H GLY 16 HN GLY 16 -9.436 -2.257 -4.211 92 1HA GLY 16 HA2 GLY 16 -11.626 -1.427 -2.765 93 2HA GLY 16 HA1 GLY 16 -10.909 -0.503 -4.069 94 HA PRO 17 HA PRO 17 -14.448 -1.101 -6.606 95 1HB PRO 17 HB2 PRO 17 -13.709 -2.264 -8.946 96 2HB PRO 17 HB1 PRO 17 -13.248 -0.617 -8.509 97 1HG PRO 17 HG2 PRO 17 -11.655 -3.147 -8.312 98 2HG PRO 17 HG1 PRO 17 -11.145 -1.545 -8.878 99 1HD PRO 17 HD2 PRO 17 -10.592 -2.472 -6.383 100 2HD PRO 17 HD1 PRO 17 -10.835 -0.749 -6.736 101 H LEU 18 HN LEU 18 -12.687 -4.074 -6.094 102 HA LEU 18 HA LEU 18 -14.787 -5.815 -6.989 103 1HB LEU 18 HB2 LEU 18 -12.219 -6.272 -5.483 104 2HB LEU 18 HB1 LEU 18 -13.378 -7.565 -5.715 105 HG LEU 18 HG LEU 18 -11.685 -7.790 -7.394 106 1HD1 LEU 18 HD11 LEU 18 -13.963 -8.263 -8.113 107 2HD1 LEU 18 HD12 LEU 18 -12.984 -7.644 -9.441 108 3HD1 LEU 18 HD13 LEU 18 -14.153 -6.591 -8.645 109 1HD2 LEU 18 HD21 LEU 18 -10.816 -5.500 -7.346 110 2HD2 LEU 18 HD22 LEU 18 -12.254 -4.933 -8.196 111 3HD2 LEU 18 HD23 LEU 18 -11.136 -6.042 -8.993 112 H LEU 19 HN LEU 19 -13.530 -4.882 -3.796 113 HA LEU 19 HA LEU 19 -15.289 -6.424 -2.252 114 1HB LEU 19 HB2 LEU 19 -13.689 -3.940 -1.693 115 2HB LEU 19 HB1 LEU 19 -14.752 -4.610 -0.469 116 HG LEU 19 HG LEU 19 -12.578 -6.258 -1.765 117 1HD1 LEU 19 HD11 LEU 19 -11.547 -4.283 -0.723 118 2HD1 LEU 19 HD12 LEU 19 -11.161 -5.766 0.147 119 3HD1 LEU 19 HD13 LEU 19 -12.376 -4.657 0.790 120 1HD2 LEU 19 HD21 LEU 19 -14.045 -6.548 0.855 121 2HD2 LEU 19 HD22 LEU 19 -12.817 -7.641 0.212 122 3HD2 LEU 19 HD23 LEU 19 -14.366 -7.473 -0.612 123 H ALA 20 HN ALA 20 -15.672 -3.289 -3.744 124 HA ALA 20 HA ALA 20 -18.139 -2.685 -2.361 125 1HB ALA 20 HB1 ALA 20 -16.889 -1.338 -4.761 126 2HB ALA 20 HB2 ALA 20 -16.610 -0.896 -3.077 127 3HB ALA 20 HB3 ALA 20 -18.215 -0.707 -3.783 128 H ARG 21 HN ARG 21 -17.311 -4.710 -4.879 129 HA ARG 21 HA ARG 21 -18.391 -5.809 -6.529 130 1HB ARG 21 HB2 ARG 21 -20.768 -5.054 -4.825 131 2HB ARG 21 HB1 ARG 21 -20.945 -5.990 -6.303 132 1HG ARG 21 HG2 ARG 21 -20.870 -7.611 -4.646 133 2HG ARG 21 HG1 ARG 21 -19.221 -7.592 -5.270 134 1HD ARG 21 HD2 ARG 21 -18.816 -7.580 -3.018 135 2HD ARG 21 HD1 ARG 21 -18.854 -5.848 -3.329 136 HE ARG 21 HE ARG 21 -21.442 -6.551 -2.689 137 1HH1 ARG 21 HH11 ARG 21 -18.316 -6.555 -1.132 138 2HH1 ARG 21 HH12 ARG 21 -18.964 -6.602 0.474 139 1HH2 ARG 21 HH21 ARG 21 -22.315 -6.603 -0.566 140 2HH2 ARG 21 HH22 ARG 21 -21.239 -6.649 0.799 141 H THR 22 HN THR 22 -17.957 -2.828 -6.672 142 HA THR 22 HA THR 22 -20.071 -1.919 -8.434 143 HB THR 22 HB THR 22 -19.029 -0.318 -6.890 144 HG1 THR 22 HG1 THR 22 -19.836 0.384 -8.977 145 1HG2 THR 22 HG21 THR 22 -16.511 -0.748 -8.507 146 2HG2 THR 22 HG22 THR 22 -16.759 -1.230 -6.828 147 3HG2 THR 22 HG23 THR 22 -16.738 0.479 -7.262 148 H ARG 23 HN ARG 23 -17.156 -3.643 -8.709 149 HA ARG 23 HA ARG 23 -17.194 -3.317 -11.634 150 1HB ARG 23 HB2 ARG 23 -15.339 -1.966 -10.750 151 2HB ARG 23 HB1 ARG 23 -14.720 -3.367 -9.887 152 1HG ARG 23 HG2 ARG 23 -14.283 -4.499 -12.007 153 2HG ARG 23 HG1 ARG 23 -14.926 -3.110 -12.886 154 1HD ARG 23 HD2 ARG 23 -13.158 -1.698 -11.900 155 2HD ARG 23 HD1 ARG 23 -12.503 -3.116 -11.080 156 HE ARG 23 HE ARG 23 -12.709 -3.541 -13.889 157 1HH1 ARG 23 HH11 ARG 23 -10.741 -1.946 -11.467 158 2HH1 ARG 23 HH12 ARG 23 -9.301 -1.986 -12.429 159 1HH2 ARG 23 HH21 ARG 23 -10.819 -3.574 -15.161 160 2HH2 ARG 23 HH22 ARG 23 -9.349 -2.890 -14.533 161 H SER 24 HN SER 24 -17.250 -5.200 -12.680 162 HA SER 24 HA SER 24 -17.003 -7.685 -11.205 163 1HB SER 24 HB2 SER 24 -17.694 -8.696 -13.409 164 2HB SER 24 HB1 SER 24 -18.834 -7.510 -12.773 165 HG SER 24 HG SER 24 -16.827 -6.591 -14.488 166 H ALA 25 HN ALA 25 -15.112 -8.714 -10.992 167 HA ALA 25 HA ALA 25 -12.707 -8.050 -12.197 168 1HB ALA 25 HB1 ALA 25 -12.860 -9.415 -10.177 169 2HB ALA 25 HB2 ALA 25 -11.881 -10.220 -11.402 170 3HB ALA 25 HB3 ALA 25 -13.539 -10.746 -11.113 171 H ALA 26 HN ALA 26 -15.172 -10.341 -13.236 172 HA ALA 26 HA ALA 26 -15.601 -11.384 -15.200 173 1HB ALA 26 HB1 ALA 26 -15.399 -9.128 -16.132 174 2HB ALA 26 HB2 ALA 26 -14.828 -10.349 -17.269 175 3HB ALA 26 HB3 ALA 26 -13.669 -9.376 -16.363 176 H SER 27 HN SER 27 -13.072 -12.003 -13.523 177 HA SER 27 HA SER 27 -12.078 -14.058 -15.331 178 1HB SER 27 HB2 SER 27 -10.516 -12.168 -15.651 179 2HB SER 27 HB1 SER 27 -10.235 -12.103 -13.912 180 HG SER 27 HG SER 27 -8.978 -13.572 -15.709 181 HA PRO 28 HA PRO 28 -12.625 -16.411 -11.618 182 1HB PRO 28 HB2 PRO 28 -10.908 -18.501 -12.152 183 2HB PRO 28 HB1 PRO 28 -12.528 -18.351 -12.839 184 1HG PRO 28 HG2 PRO 28 -9.881 -17.647 -14.055 185 2HG PRO 28 HG1 PRO 28 -11.279 -18.446 -14.799 186 1HD PRO 28 HD2 PRO 28 -10.752 -15.838 -15.216 187 2HD PRO 28 HD1 PRO 28 -12.417 -16.446 -15.109 188 H GLU 29 HN GLU 29 -9.261 -16.133 -12.734 189 HA GLU 29 HA GLU 29 -8.021 -16.488 -10.231 190 1HB GLU 29 HB2 GLU 29 -6.060 -15.343 -11.349 191 2HB GLU 29 HB1 GLU 29 -6.703 -16.731 -12.218 192 1HG GLU 29 HG2 GLU 29 -7.883 -15.287 -13.748 193 2HG GLU 29 HG1 GLU 29 -7.389 -13.863 -12.838 194 H ALA 30 HN ALA 30 -8.997 -13.577 -12.000 195 HA ALA 30 HA ALA 30 -7.966 -11.682 -10.202 196 1HB ALA 30 HB1 ALA 30 -8.610 -11.128 -12.499 197 2HB ALA 30 HB2 ALA 30 -9.411 -10.072 -11.335 198 3HB ALA 30 HB3 ALA 30 -10.306 -11.391 -12.090 199 H LEU 31 HN LEU 31 -11.105 -13.274 -10.393 200 HA LEU 31 HA LEU 31 -12.307 -11.765 -8.297 201 1HB LEU 31 HB2 LEU 31 -13.520 -13.005 -10.113 202 2HB LEU 31 HB1 LEU 31 -13.067 -14.507 -9.338 203 HG LEU 31 HG LEU 31 -15.439 -13.654 -8.951 204 1HD1 LEU 31 HD11 LEU 31 -13.753 -14.246 -6.521 205 2HD1 LEU 31 HD12 LEU 31 -14.471 -15.437 -7.606 206 3HD1 LEU 31 HD13 LEU 31 -15.507 -14.396 -6.632 207 1HD2 LEU 31 HD21 LEU 31 -15.752 -11.989 -7.196 208 2HD2 LEU 31 HD22 LEU 31 -14.889 -11.305 -8.573 209 3HD2 LEU 31 HD23 LEU 31 -14.008 -11.739 -7.107 210 H MET 32 HN MET 32 -10.585 -14.837 -8.479 211 HA MET 32 HA MET 32 -11.196 -15.769 -5.903 212 1HB MET 32 HB2 MET 32 -10.345 -17.245 -7.640 213 2HB MET 32 HB1 MET 32 -8.815 -16.380 -7.665 214 1HG MET 32 HG2 MET 32 -9.832 -17.790 -5.210 215 2HG MET 32 HG1 MET 32 -8.861 -18.599 -6.439 216 1HE MET 32 HE1 MET 32 -6.368 -18.009 -6.989 217 2HE MET 32 HE2 MET 32 -5.482 -16.671 -6.257 218 3HE MET 32 HE3 MET 32 -6.832 -16.345 -7.343 219 H ARG 33 HN ARG 33 -8.288 -13.991 -7.054 220 HA ARG 33 HA ARG 33 -7.171 -14.054 -4.412 221 1HB ARG 33 HB2 ARG 33 -5.234 -13.239 -5.272 222 2HB ARG 33 HB1 ARG 33 -5.939 -13.873 -6.745 223 1HG ARG 33 HG2 ARG 33 -6.108 -10.982 -5.912 224 2HG ARG 33 HG1 ARG 33 -4.843 -11.640 -6.943 225 1HD ARG 33 HD2 ARG 33 -6.861 -12.495 -8.374 226 2HD ARG 33 HD1 ARG 33 -7.746 -11.225 -7.522 227 HE ARG 33 HE ARG 33 -5.294 -10.714 -9.098 228 1HH1 ARG 33 HH11 ARG 33 -8.544 -9.819 -8.125 229 2HH1 ARG 33 HH12 ARG 33 -8.585 -8.408 -9.134 230 1HH2 ARG 33 HH21 ARG 33 -5.346 -8.861 -10.400 231 2HH2 ARG 33 HH22 ARG 33 -6.762 -7.854 -10.414 232 H SER 34 HN SER 34 -9.302 -11.937 -6.080 233 HA SER 34 HA SER 34 -8.978 -9.679 -4.349 234 1HB SER 34 HB2 SER 34 -11.328 -10.500 -6.082 235 2HB SER 34 HB1 SER 34 -11.141 -8.932 -5.294 236 HG SER 34 HG SER 34 -10.345 -9.464 -7.644 237 H ARG 35 HN ARG 35 -11.255 -12.425 -4.458 238 HA ARG 35 HA ARG 35 -12.660 -11.624 -2.118 239 1HB ARG 35 HB2 ARG 35 -13.878 -13.629 -2.291 240 2HB ARG 35 HB1 ARG 35 -13.481 -13.225 -3.954 241 1HG ARG 35 HG2 ARG 35 -11.586 -14.837 -3.828 242 2HG ARG 35 HG1 ARG 35 -12.152 -15.306 -2.225 243 1HD ARG 35 HD2 ARG 35 -13.590 -15.623 -4.858 244 2HD ARG 35 HD1 ARG 35 -12.992 -16.900 -3.801 245 HE ARG 35 HE ARG 35 -15.317 -15.164 -3.270 246 1HH1 ARG 35 HH11 ARG 35 -13.468 -18.050 -2.545 247 2HH1 ARG 35 HH12 ARG 35 -14.728 -18.772 -1.597 248 1HH2 ARG 35 HH21 ARG 35 -16.991 -16.128 -2.055 249 2HH2 ARG 35 HH22 ARG 35 -16.741 -17.689 -1.340 250 H TYR 36 HN TYR 36 -9.876 -13.684 -2.734 251 HA TYR 36 HA TYR 36 -9.497 -14.890 -0.280 252 1HB TYR 36 HB2 TYR 36 -7.973 -15.476 -1.993 253 2HB TYR 36 HB1 TYR 36 -7.538 -13.798 -2.303 254 HD1 TYR 36 HD1 TYR 36 -7.108 -16.617 0.064 255 HD2 TYR 36 HD2 TYR 36 -5.791 -12.728 -1.072 256 HE1 TYR 36 HE1 TYR 36 -5.182 -16.825 1.576 257 HE2 TYR 36 HE2 TYR 36 -3.860 -12.937 0.428 258 HH TYR 36 HH TYR 36 -3.212 -14.181 2.425 259 H ALA 37 HN ALA 37 -8.702 -11.601 -1.272 260 HA ALA 37 HA ALA 37 -7.260 -10.805 0.986 261 1HB ALA 37 HB1 ALA 37 -9.009 -9.108 -0.797 262 2HB ALA 37 HB2 ALA 37 -7.315 -9.506 -1.085 263 3HB ALA 37 HB3 ALA 37 -7.764 -8.514 0.302 264 H ALA 38 HN ALA 38 -10.708 -11.040 0.403 265 HA ALA 38 HA ALA 38 -11.651 -9.458 2.508 266 1HB ALA 38 HB1 ALA 38 -12.942 -11.924 1.335 267 2HB ALA 38 HB2 ALA 38 -13.075 -10.289 0.688 268 3HB ALA 38 HB3 ALA 38 -13.750 -10.667 2.272 269 H TYR 39 HN TYR 39 -10.640 -12.853 2.438 270 HA TYR 39 HA TYR 39 -11.364 -13.497 5.089 271 1HB TYR 39 HB2 TYR 39 -9.552 -14.678 3.047 272 2HB TYR 39 HB1 TYR 39 -9.237 -15.124 4.721 273 HD1 TYR 39 HD2 TYR 39 -11.739 -15.233 2.014 274 HD2 TYR 39 HD1 TYR 39 -10.716 -16.584 5.915 275 HE1 TYR 39 HE2 TYR 39 -13.560 -16.869 1.925 276 HE2 TYR 39 HE1 TYR 39 -12.534 -18.234 5.827 277 HH TYR 39 HH TYR 39 -14.624 -18.610 4.663 278 H ALA 40 HN ALA 40 -8.371 -12.224 3.690 279 HA ALA 40 HA ALA 40 -6.934 -12.067 6.141 280 1HB ALA 40 HB1 ALA 40 -6.512 -10.524 3.574 281 2HB ALA 40 HB2 ALA 40 -5.813 -12.098 3.959 282 3HB ALA 40 HB3 ALA 40 -5.353 -10.676 4.896 283 H LEU 41 HN LEU 41 -9.342 -10.130 4.651 284 HA LEU 41 HA LEU 41 -8.846 -7.847 6.428 285 1HB LEU 41 HB2 LEU 41 -10.769 -8.184 4.115 286 2HB LEU 41 HB1 LEU 41 -10.573 -6.714 5.053 287 HG LEU 41 HG LEU 41 -8.395 -7.982 3.381 288 1HD1 LEU 41 HD11 LEU 41 -10.143 -5.598 2.782 289 2HD1 LEU 41 HD12 LEU 41 -10.191 -7.162 1.967 290 3HD1 LEU 41 HD13 LEU 41 -8.764 -6.136 1.821 291 1HD2 LEU 41 HD21 LEU 41 -7.216 -5.863 3.732 292 2HD2 LEU 41 HD22 LEU 41 -7.524 -6.692 5.257 293 3HD2 LEU 41 HD23 LEU 41 -8.517 -5.311 4.789 294 H LYS 42 HN LYS 42 -10.096 -10.620 6.973 295 HA LYS 42 HA LYS 42 -11.697 -11.580 8.201 296 1HB LYS 42 HB2 LYS 42 -12.347 -10.453 10.290 297 2HB LYS 42 HB1 LYS 42 -10.623 -10.388 9.988 298 1HG LYS 42 HG2 LYS 42 -11.196 -8.289 10.858 299 2HG LYS 42 HG1 LYS 42 -10.989 -8.033 9.128 300 1HD LYS 42 HD2 LYS 42 -13.530 -8.314 8.948 301 2HD LYS 42 HD1 LYS 42 -13.557 -8.167 10.706 302 1HE LYS 42 HE2 LYS 42 -12.509 -5.982 10.558 303 2HE LYS 42 HE1 LYS 42 -12.382 -6.142 8.807 304 1HZ LYS 42 HZ1 LYS 42 -14.795 -6.166 8.668 305 2HZ LYS 42 HZ2 LYS 42 -14.258 -4.762 9.441 306 3HZ LYS 42 HZ3 LYS 42 -14.918 -6.025 10.352 307 H ASP 43 HN ASP 43 -12.650 -9.821 5.871 308 HA ASP 43 HA ASP 43 -15.422 -9.442 6.779 309 1HB ASP 43 HB2 ASP 43 -14.328 -7.486 5.699 310 2HB ASP 43 HB1 ASP 43 -14.145 -8.431 4.223 311 H PHE 44 HN PHE 44 -16.163 -11.531 6.698 312 HA PHE 44 HA PHE 44 -15.800 -13.218 4.426 313 1HB PHE 44 HB2 PHE 44 -17.475 -14.691 5.525 314 2HB PHE 44 HB1 PHE 44 -16.146 -14.240 6.582 315 HD1 PHE 44 HD1 PHE 44 -19.728 -13.742 5.875 316 HD2 PHE 44 HD2 PHE 44 -16.517 -12.937 8.561 317 HE1 PHE 44 HE1 PHE 44 -21.338 -12.979 7.570 318 HE2 PHE 44 HE2 PHE 44 -18.128 -12.174 10.257 319 HZ PHE 44 HZ PHE 44 -20.541 -12.194 9.762 320 H ASP 45 HN ASP 45 -17.822 -10.574 5.003 321 HA ASP 45 HA ASP 45 -20.219 -11.290 3.767 322 1HB ASP 45 HB2 ASP 45 -20.016 -9.197 4.991 323 2HB ASP 45 HB1 ASP 45 -18.844 -8.590 3.826 324 H TYR 46 HN TYR 46 -17.349 -9.731 2.298 325 HA TYR 46 HA TYR 46 -18.365 -9.722 -0.326 326 1HB TYR 46 HB2 TYR 46 -16.433 -8.351 0.301 327 2HB TYR 46 HB1 TYR 46 -15.462 -9.794 0.568 328 HD1 TYR 46 HD1 TYR 46 -17.730 -8.654 -2.174 329 HD2 TYR 46 HD2 TYR 46 -13.855 -10.041 -1.101 330 HE1 TYR 46 HE1 TYR 46 -17.066 -8.605 -4.538 331 HE2 TYR 46 HE2 TYR 46 -13.181 -9.998 -3.466 332 HH TYR 46 HH TYR 46 -15.115 -8.520 -5.900 333 H ILE 47 HN ILE 47 -16.722 -12.187 1.533 334 HA ILE 47 HA ILE 47 -16.134 -14.005 -0.532 335 HB ILE 47 HB ILE 47 -16.834 -14.536 2.365 336 1HG1 ILE 47 HG12 ILE 47 -14.853 -13.147 2.084 337 2HG1 ILE 47 HG11 ILE 47 -14.380 -14.755 2.624 338 1HG2 ILE 47 HG21 ILE 47 -15.759 -16.731 2.057 339 2HG2 ILE 47 HG22 ILE 47 -15.602 -16.404 0.331 340 3HG2 ILE 47 HG23 ILE 47 -17.202 -16.557 1.057 341 1HD1 ILE 47 HD11 ILE 47 -12.870 -13.984 0.928 342 2HD1 ILE 47 HD12 ILE 47 -14.207 -13.680 -0.179 343 3HD1 ILE 47 HD13 ILE 47 -13.814 -15.333 0.297 344 H VAL 48 HN VAL 48 -18.881 -13.960 1.711 345 HA VAL 48 HA VAL 48 -20.472 -15.899 0.576 346 HB VAL 48 HB VAL 48 -21.435 -13.295 1.802 347 1HG1 VAL 48 HG11 VAL 48 -23.452 -14.559 2.399 348 2HG1 VAL 48 HG12 VAL 48 -22.824 -15.965 1.537 349 3HG1 VAL 48 HG13 VAL 48 -23.222 -14.492 0.652 350 1HG2 VAL 48 HG21 VAL 48 -20.794 -15.937 3.128 351 2HG2 VAL 48 HG22 VAL 48 -21.506 -14.533 3.923 352 3HG2 VAL 48 HG23 VAL 48 -19.868 -14.444 3.280 353 H GLU 49 HN GLU 49 -20.285 -12.453 -0.278 354 HA GLU 49 HA GLU 49 -22.320 -12.444 -2.220 355 1HB GLU 49 HB2 GLU 49 -19.905 -10.660 -1.867 356 2HB GLU 49 HB1 GLU 49 -21.171 -10.351 -3.049 357 1HG GLU 49 HG2 GLU 49 -21.556 -10.507 -0.062 358 2HG GLU 49 HG1 GLU 49 -21.469 -9.027 -1.016 359 H THR 50 HN THR 50 -18.988 -13.453 -2.413 360 HA THR 50 HA THR 50 -19.143 -13.629 -5.344 361 HB THR 50 HB THR 50 -16.678 -14.170 -5.180 362 HG1 THR 50 HG1 THR 50 -16.856 -13.157 -2.535 363 1HG2 THR 50 HG21 THR 50 -16.001 -11.853 -4.759 364 2HG2 THR 50 HG22 THR 50 -17.567 -11.525 -4.016 365 3HG2 THR 50 HG23 THR 50 -17.469 -11.918 -5.734 366 H THR 51 HN THR 51 -20.450 -15.472 -3.329 367 HA THR 51 HA THR 51 -19.137 -17.991 -4.088 368 HB THR 51 HB THR 51 -21.294 -17.525 -2.012 369 HG1 THR 51 HG1 THR 51 -19.383 -16.646 -1.272 370 1HG2 THR 51 HG21 THR 51 -21.311 -19.802 -2.983 371 2HG2 THR 51 HG22 THR 51 -20.805 -19.809 -1.293 372 3HG2 THR 51 HG23 THR 51 -19.603 -19.974 -2.574 373 H ASP 52 HN ASP 52 -20.298 -19.639 -5.060 374 HA ASP 52 HA ASP 52 -22.056 -19.118 -7.099 375 1HB ASP 52 HB2 ASP 52 -20.744 -21.264 -6.552 376 2HB ASP 52 HB1 ASP 52 -22.091 -21.689 -5.513 377 HA PRO 53 HA PRO 53 -25.904 -18.060 -5.102 378 1HB PRO 53 HB2 PRO 53 -27.596 -19.104 -7.077 379 2HB PRO 53 HB1 PRO 53 -26.925 -17.472 -7.048 380 1HG PRO 53 HG2 PRO 53 -25.981 -19.884 -8.537 381 2HG PRO 53 HG1 PRO 53 -25.998 -18.185 -9.044 382 1HD PRO 53 HD2 PRO 53 -23.730 -19.382 -8.264 383 2HD PRO 53 HD1 PRO 53 -24.056 -17.685 -7.857 384 H GLU 54 HN GLU 54 -25.361 -21.302 -6.398 385 HA GLU 54 HA GLU 54 -27.495 -22.462 -4.815 386 1HB GLU 54 HB2 GLU 54 -25.414 -23.716 -6.619 387 2HB GLU 54 HB1 GLU 54 -26.689 -24.616 -5.803 388 1HG GLU 54 HG2 GLU 54 -28.382 -23.338 -7.011 389 2HG GLU 54 HG1 GLU 54 -27.117 -22.408 -7.813 390 H ARG 55 HN ARG 55 -24.231 -21.682 -4.298 391 HA ARG 55 HA ARG 55 -23.962 -23.661 -2.131 392 1HB ARG 55 HB2 ARG 55 -21.905 -21.714 -3.208 393 2HB ARG 55 HB1 ARG 55 -21.616 -22.944 -1.989 394 1HG ARG 55 HG2 ARG 55 -22.330 -23.426 -4.874 395 2HG ARG 55 HG1 ARG 55 -20.743 -23.625 -4.140 396 1HD ARG 55 HD2 ARG 55 -21.776 -25.342 -2.615 397 2HD ARG 55 HD1 ARG 55 -23.235 -25.236 -3.605 398 HE ARG 55 HE ARG 55 -20.879 -25.736 -5.159 399 1HH1 ARG 55 HH11 ARG 55 -23.375 -27.272 -3.230 400 2HH1 ARG 55 HH12 ARG 55 -23.126 -28.838 -3.935 401 1HH2 ARG 55 HH21 ARG 55 -20.580 -27.778 -6.105 402 2HH2 ARG 55 HH22 ARG 55 -21.549 -29.121 -5.586 403 H ARG 56 HN ARG 56 -24.363 -20.274 -2.781 404 HA ARG 56 HA ARG 56 -23.379 -19.214 -0.368 405 1HB ARG 56 HB2 ARG 56 -23.833 -17.942 -2.512 406 2HB ARG 56 HB1 ARG 56 -25.542 -17.985 -2.093 407 1HG ARG 56 HG2 ARG 56 -25.078 -16.752 -0.035 408 2HG ARG 56 HG1 ARG 56 -23.359 -16.734 -0.427 409 1HD ARG 56 HD2 ARG 56 -24.165 -14.621 -1.072 410 2HD ARG 56 HD1 ARG 56 -24.010 -15.533 -2.572 411 HE ARG 56 HE ARG 56 -26.582 -15.959 -1.911 412 1HH1 ARG 56 HH11 ARG 56 -24.668 -13.034 -2.096 413 2HH1 ARG 56 HH12 ARG 56 -26.011 -12.023 -2.512 414 1HH2 ARG 56 HH21 ARG 56 -28.367 -14.625 -2.431 415 2HH2 ARG 56 HH22 ARG 56 -28.117 -12.932 -2.695 416 H ASP 57 HN ASP 57 -26.432 -20.605 -1.254 417 HA ASP 57 HA ASP 57 -27.994 -19.678 0.901 418 1HB ASP 57 HB2 ASP 57 -28.959 -20.737 -1.105 419 2HB ASP 57 HB1 ASP 57 -28.226 -22.273 -0.651 420 H LEU 58 HN LEU 58 -25.635 -22.222 0.614 421 HA LEU 58 HA LEU 58 -26.356 -23.500 3.114 422 1HB LEU 58 HB2 LEU 58 -23.930 -23.943 1.362 423 2HB LEU 58 HB1 LEU 58 -24.493 -24.996 2.647 424 HG LEU 58 HG LEU 58 -25.930 -24.457 0.038 425 1HD1 LEU 58 HD11 LEU 58 -23.957 -25.854 -0.247 426 2HD1 LEU 58 HD12 LEU 58 -25.429 -26.800 -0.460 427 3HD1 LEU 58 HD13 LEU 58 -24.510 -26.926 1.041 428 1HD2 LEU 58 HD21 LEU 58 -26.674 -26.295 2.319 429 2HD2 LEU 58 HD22 LEU 58 -27.494 -26.201 0.760 430 3HD2 LEU 58 HD23 LEU 58 -27.520 -24.818 1.853 431 H PHE 59 HN PHE 59 -24.246 -21.007 2.026 432 HA PHE 59 HA PHE 59 -22.198 -21.181 3.940 433 1HB PHE 59 HB2 PHE 59 -23.169 -19.086 2.060 434 2HB PHE 59 HB1 PHE 59 -22.155 -18.546 3.394 435 HD1 PHE 59 HD1 PHE 59 -21.972 -21.711 1.425 436 HD2 PHE 59 HD2 PHE 59 -20.131 -17.996 2.407 437 HE1 PHE 59 HE1 PHE 59 -19.955 -22.383 0.185 438 HE2 PHE 59 HE2 PHE 59 -18.119 -18.660 1.168 439 HZ PHE 59 HZ PHE 59 -18.024 -20.859 0.055 440 H ASP 60 HN ASP 60 -22.135 -20.780 6.012 441 HA ASP 60 HA ASP 60 -24.215 -19.093 7.256 442 1HB ASP 60 HB2 ASP 60 -24.310 -21.355 8.110 443 2HB ASP 60 HB1 ASP 60 -22.573 -21.370 8.400 444 H HIS 61 HN HIS 61 -23.589 -17.542 8.768 445 HA HIS 61 HA HIS 61 -21.274 -16.098 8.077 446 1HB HIS 61 HB2 HIS 61 -22.862 -15.758 10.632 447 2HB HIS 61 HB1 HIS 61 -21.907 -14.539 9.794 448 HD1 HIS 61 HD1 HIS 61 -25.268 -15.902 10.054 449 HD2 HIS 61 HD2 HIS 61 -23.103 -13.737 7.243 450 HE1 HIS 61 HE1 HIS 61 -26.975 -14.912 8.502 451 HE2 HIS 61 HE2 HIS 61 -25.626 -13.823 6.680 452 H ASP 62 HN ASP 62 -22.045 -18.001 10.981 453 HA ASP 62 HA ASP 62 -19.655 -17.436 12.378 454 1HB ASP 62 HB2 ASP 62 -21.572 -19.772 12.614 455 2HB ASP 62 HB1 ASP 62 -20.249 -19.471 13.735 456 H VAL 63 HN VAL 63 -20.601 -20.081 10.239 457 HA VAL 63 HA VAL 63 -18.268 -21.633 10.514 458 HB VAL 63 HB VAL 63 -20.100 -21.436 8.105 459 1HG1 VAL 63 HG11 VAL 63 -18.140 -23.591 8.911 460 2HG1 VAL 63 HG12 VAL 63 -17.968 -22.486 7.548 461 3HG1 VAL 63 HG13 VAL 63 -19.262 -23.684 7.554 462 1HG2 VAL 63 HG21 VAL 63 -20.176 -23.310 10.479 463 2HG2 VAL 63 HG22 VAL 63 -21.214 -23.416 9.057 464 3HG2 VAL 63 HG23 VAL 63 -21.330 -22.022 10.132 465 H ASN 64 HN ASN 64 -19.116 -19.039 8.244 466 HA ASN 64 HA ASN 64 -16.750 -19.142 6.702 467 1HB ASN 64 HB2 ASN 64 -18.757 -16.946 7.215 468 2HB ASN 64 HB1 ASN 64 -17.328 -16.663 6.230 469 1HD2 ASN 64 HD21 ASN 64 -19.128 -19.691 6.306 470 2HD2 ASN 64 HD22 ASN 64 -19.714 -19.580 4.688 471 H ARG 65 HN ARG 65 -17.604 -17.368 9.636 472 HA ARG 65 HA ARG 65 -15.225 -15.857 9.850 473 1HB ARG 65 HB2 ARG 65 -17.349 -15.424 11.122 474 2HB ARG 65 HB1 ARG 65 -16.988 -16.830 12.116 475 1HG ARG 65 HG2 ARG 65 -14.905 -15.757 12.861 476 2HG ARG 65 HG1 ARG 65 -15.295 -14.343 11.884 477 1HD ARG 65 HD2 ARG 65 -15.916 -13.861 14.136 478 2HD ARG 65 HD1 ARG 65 -17.401 -14.101 13.214 479 HE ARG 65 HE ARG 65 -16.471 -16.491 14.515 480 1HH1 ARG 65 HH11 ARG 65 -18.330 -13.550 14.933 481 2HH1 ARG 65 HH12 ARG 65 -19.245 -14.171 16.271 482 1HH2 ARG 65 HH21 ARG 65 -17.697 -17.305 16.278 483 2HH2 ARG 65 HH22 ARG 65 -18.876 -16.287 17.047 484 H ALA 66 HN ALA 66 -16.192 -18.969 11.248 485 HA ALA 66 HA ALA 66 -14.011 -19.494 12.851 486 1HB ALA 66 HB1 ALA 66 -16.035 -20.864 12.838 487 2HB ALA 66 HB2 ALA 66 -14.595 -21.863 12.635 488 3HB ALA 66 HB3 ALA 66 -15.612 -21.489 11.243 489 H TRP 67 HN TRP 67 -14.345 -19.894 9.375 490 HA TRP 67 HA TRP 67 -12.062 -21.430 8.866 491 1HB TRP 67 HB2 TRP 67 -13.949 -20.821 7.255 492 2HB TRP 67 HB1 TRP 67 -13.140 -19.276 7.030 493 HD1 TRP 67 HD1 TRP 67 -10.229 -19.917 6.465 494 HE1 TRP 67 HE1 TRP 67 -9.482 -21.382 4.489 495 HE3 TRP 67 HE3 TRP 67 -14.596 -22.446 5.623 496 HZ2 TRP 67 HZ2 TRP 67 -10.590 -23.340 2.791 497 HZ3 TRP 67 HZ3 TRP 67 -14.669 -24.094 3.797 498 HH2 TRP 67 HH2 TRP 67 -12.705 -24.531 2.409 499 H MET 68 HN MET 68 -12.454 -17.870 8.772 500 HA MET 68 HA MET 68 -9.664 -17.422 8.325 501 1HB MET 68 HB2 MET 68 -10.139 -15.066 8.570 502 2HB MET 68 HB1 MET 68 -11.396 -15.808 7.594 503 1HG MET 68 HG2 MET 68 -12.885 -15.834 9.538 504 2HG MET 68 HG1 MET 68 -11.621 -15.077 10.508 505 1HE MET 68 HE1 MET 68 -13.255 -13.109 11.221 506 2HE MET 68 HE2 MET 68 -14.551 -13.865 10.294 507 3HE MET 68 HE3 MET 68 -14.191 -12.153 10.071 508 H GLU 69 HN GLU 69 -11.603 -17.938 11.133 509 HA GLU 69 HA GLU 69 -9.791 -16.750 13.007 510 1HB GLU 69 HB2 GLU 69 -11.950 -18.828 13.456 511 2HB GLU 69 HB1 GLU 69 -11.081 -17.978 14.727 512 1HG GLU 69 HG2 GLU 69 -11.983 -15.832 13.735 513 2HG GLU 69 HG1 GLU 69 -13.020 -16.838 12.732 514 H GLU 70 HN GLU 70 -10.200 -19.949 11.594 515 HA GLU 70 HA GLU 70 -8.200 -21.119 13.342 516 1HB GLU 70 HB2 GLU 70 -8.651 -23.200 12.220 517 2HB GLU 70 HB1 GLU 70 -10.182 -22.416 12.577 518 1HG GLU 70 HG2 GLU 70 -10.308 -21.637 10.246 519 2HG GLU 70 HG1 GLU 70 -8.798 -22.479 9.899 520 H SER 71 HN SER 71 -8.123 -19.249 10.582 521 HA SER 71 HA SER 71 -5.320 -19.773 10.205 522 1HB SER 71 HB2 SER 71 -5.641 -20.163 7.686 523 2HB SER 71 HB1 SER 71 -6.013 -21.510 8.759 524 HG SER 71 HG SER 71 -8.174 -19.901 8.321 525 H ASP 72 HN ASP 72 -4.678 -17.734 10.431 526 HA ASP 72 HA ASP 72 -6.050 -15.493 9.224 527 1HB ASP 72 HB2 ASP 72 -4.739 -15.406 11.407 528 2HB ASP 72 HB1 ASP 72 -3.272 -15.544 10.448 529 H PHE 73 HN PHE 73 -5.897 -15.207 7.057 530 HA PHE 73 HA PHE 73 -3.843 -16.507 5.543 531 1HB PHE 73 HB2 PHE 73 -6.096 -14.666 4.722 532 2HB PHE 73 HB1 PHE 73 -5.005 -15.448 3.581 533 HD1 PHE 73 HD1 PHE 73 -7.676 -16.014 6.052 534 HD2 PHE 73 HD2 PHE 73 -5.197 -17.786 3.077 535 HE1 PHE 73 HE1 PHE 73 -9.089 -18.027 6.073 536 HE2 PHE 73 HE2 PHE 73 -6.611 -19.796 3.091 537 HZ PHE 73 HZ PHE 73 -8.559 -19.921 4.591 538 H LEU 74 HN LEU 74 -1.890 -15.769 5.194 539 HA LEU 74 HA LEU 74 -1.249 -12.958 5.596 540 1HB LEU 74 HB2 LEU 74 0.374 -15.471 5.350 541 2HB LEU 74 HB1 LEU 74 1.144 -13.919 5.103 542 HG LEU 74 HG LEU 74 0.479 -13.247 7.401 543 1HD1 LEU 74 HD11 LEU 74 -0.301 -14.955 8.971 544 2HD1 LEU 74 HD12 LEU 74 -0.469 -16.099 7.639 545 3HD1 LEU 74 HD13 LEU 74 -1.478 -14.653 7.694 546 1HD2 LEU 74 HD21 LEU 74 2.102 -14.677 8.563 547 2HD2 LEU 74 HD22 LEU 74 2.693 -14.174 6.979 548 3HD2 LEU 74 HD23 LEU 74 2.071 -15.809 7.209 549 H GLU 75 HN GLU 75 -0.750 -15.423 3.046 550 HA GLU 75 HA GLU 75 -0.350 -13.286 1.083 551 1HB GLU 75 HB2 GLU 75 1.869 -13.644 1.934 552 2HB GLU 75 HB1 GLU 75 1.693 -15.388 1.822 553 1HG GLU 75 HG2 GLU 75 1.704 -15.274 -0.595 554 2HG GLU 75 HG1 GLU 75 1.758 -13.511 -0.535 555 H LEU 76 HN LEU 76 -0.652 -13.910 -1.058 556 HA LEU 76 HA LEU 76 -1.890 -16.564 -1.438 557 1HB LEU 76 HB2 LEU 76 -3.428 -14.567 -1.452 558 2HB LEU 76 HB1 LEU 76 -2.580 -13.980 -2.861 559 HG LEU 76 HG LEU 76 -4.826 -15.154 -3.217 560 1HD1 LEU 76 HD11 LEU 76 -3.299 -14.646 -5.038 561 2HD1 LEU 76 HD12 LEU 76 -4.108 -16.191 -5.295 562 3HD1 LEU 76 HD13 LEU 76 -2.431 -16.153 -4.748 563 1HD2 LEU 76 HD21 LEU 76 -4.453 -17.040 -1.710 564 2HD2 LEU 76 HD22 LEU 76 -3.128 -17.604 -2.729 565 3HD2 LEU 76 HD23 LEU 76 -4.777 -17.589 -3.354 566 H ARG 77 HN ARG 77 -1.369 -17.696 -3.299 567 HA ARG 77 HA ARG 77 0.524 -16.509 -5.187 568 1HB ARG 77 HB2 ARG 77 1.951 -17.574 -3.537 569 2HB ARG 77 HB1 ARG 77 1.005 -19.055 -3.614 570 1HG ARG 77 HG2 ARG 77 1.736 -19.436 -5.901 571 2HG ARG 77 HG1 ARG 77 2.637 -17.919 -5.886 572 1HD ARG 77 HD2 ARG 77 3.156 -20.293 -4.090 573 2HD ARG 77 HD1 ARG 77 4.086 -19.877 -5.528 574 HE ARG 77 HE ARG 77 3.999 -17.717 -3.663 575 1HH1 ARG 77 HH11 ARG 77 5.569 -20.778 -4.324 576 2HH1 ARG 77 HH12 ARG 77 7.019 -20.362 -3.468 577 1HH2 ARG 77 HH21 ARG 77 5.888 -17.169 -2.530 578 2HH2 ARG 77 HH22 ARG 77 7.201 -18.302 -2.437 579 H VAL 78 HN VAL 78 -0.755 -16.635 -6.938 580 HA VAL 78 HA VAL 78 -2.492 -18.845 -7.511 581 HB VAL 78 HB VAL 78 -1.539 -16.600 -9.306 582 1HG1 VAL 78 HG11 VAL 78 -2.371 -18.493 -10.610 583 2HG1 VAL 78 HG12 VAL 78 -3.494 -17.137 -10.703 584 3HG1 VAL 78 HG13 VAL 78 -3.858 -18.512 -9.660 585 1HG2 VAL 78 HG21 VAL 78 -2.733 -15.760 -7.357 586 2HG2 VAL 78 HG22 VAL 78 -4.078 -16.850 -7.692 587 3HG2 VAL 78 HG23 VAL 78 -3.698 -15.546 -8.818 588 H LEU 79 HN LEU 79 -2.028 -20.679 -8.601 589 HA LEU 79 HA LEU 79 0.683 -20.988 -9.697 590 1HB LEU 79 HB2 LEU 79 -1.393 -23.092 -9.048 591 2HB LEU 79 HB1 LEU 79 0.253 -23.398 -9.572 592 HG LEU 79 HG LEU 79 -0.591 -22.146 -6.953 593 1HD1 LEU 79 HD11 LEU 79 0.395 -24.169 -5.970 594 2HD1 LEU 79 HD12 LEU 79 0.685 -24.807 -7.588 595 3HD1 LEU 79 HD13 LEU 79 -0.965 -24.539 -7.028 596 1HD2 LEU 79 HD21 LEU 79 2.181 -22.700 -8.019 597 2HD2 LEU 79 HD22 LEU 79 1.798 -22.192 -6.374 598 3HD2 LEU 79 HD23 LEU 79 1.466 -21.113 -7.728 599 H GLY 80 HN GLY 80 -2.698 -21.746 -10.495 600 1HA GLY 80 HA2 GLY 80 -2.157 -21.212 -13.312 601 2HA GLY 80 HA1 GLY 80 -2.675 -22.845 -12.911 602 H SER 81 HN SER 81 -4.145 -21.177 -14.605 603 HA SER 81 HA SER 81 -6.656 -21.089 -13.171 604 1HB SER 81 HB2 SER 81 -7.083 -18.702 -14.000 605 2HB SER 81 HB1 SER 81 -5.975 -18.876 -12.640 606 HG SER 81 HG SER 81 -5.428 -17.526 -14.677 607 H SER 82 HN SER 82 -7.992 -22.135 -14.442 608 HA SER 82 HA SER 82 -7.749 -21.904 -17.363 609 1HB SER 82 HB2 SER 82 -9.319 -23.905 -15.710 610 2HB SER 82 HB1 SER 82 -9.083 -23.949 -17.457 611 HG SER 82 HG SER 82 -6.956 -24.429 -17.171 612 H GLU 83 HN GLU 83 -9.341 -20.981 -18.553 613 HA GLU 83 HA GLU 83 -11.831 -20.204 -17.173 614 1HB GLU 83 HB2 GLU 83 -10.437 -18.231 -17.379 615 2HB GLU 83 HB1 GLU 83 -10.147 -18.556 -19.079 616 1HG GLU 83 HG2 GLU 83 -12.982 -18.255 -18.335 617 2HG GLU 83 HG1 GLU 83 -11.994 -16.809 -18.128 618 H LYS 84 HN LYS 84 -13.489 -21.211 -18.068 619 HA LYS 84 HA LYS 84 -13.358 -21.940 -20.928 620 1HB LYS 84 HB2 LYS 84 -14.925 -23.437 -18.813 621 2HB LYS 84 HB1 LYS 84 -14.541 -23.962 -20.445 622 1HG LYS 84 HG2 LYS 84 -12.595 -23.648 -18.168 623 2HG LYS 84 HG1 LYS 84 -13.215 -25.166 -18.821 624 1HD LYS 84 HD2 LYS 84 -12.158 -24.640 -20.989 625 2HD LYS 84 HD1 LYS 84 -11.513 -23.147 -20.297 626 1HE LYS 84 HE2 LYS 84 -10.285 -24.478 -18.628 627 2HE LYS 84 HE1 LYS 84 -10.898 -25.953 -19.373 628 1HZ LYS 84 HZ1 LYS 84 -9.230 -23.937 -20.776 629 2HZ LYS 84 HZ2 LYS 84 -9.718 -25.437 -21.377 630 3HZ LYS 84 HZ3 LYS 84 -8.630 -25.359 -20.087 631 H GLY 85 HN GLY 85 -14.276 -19.492 -20.403 632 1HA GLY 85 HA2 GLY 85 -16.016 -18.161 -21.097 633 2HA GLY 85 HA1 GLY 85 -16.944 -19.613 -21.435 634 H SER 86 HN SER 86 -18.364 -20.398 -19.921 635 HA SER 86 HA SER 86 -19.184 -18.438 -17.920 636 1HB SER 86 HB2 SER 86 -21.262 -19.910 -17.852 637 2HB SER 86 HB1 SER 86 -20.930 -19.125 -19.396 638 HG SER 86 HG SER 86 -21.451 -21.349 -19.636 639 H ARG 87 HN ARG 87 -17.220 -21.068 -17.939 640 HA ARG 87 HA ARG 87 -17.547 -21.458 -15.062 641 1HB ARG 87 HB2 ARG 87 -18.796 -23.255 -16.474 642 2HB ARG 87 HB1 ARG 87 -17.197 -23.849 -16.883 643 1HG ARG 87 HG2 ARG 87 -18.177 -23.565 -14.047 644 2HG ARG 87 HG1 ARG 87 -18.389 -25.027 -15.006 645 1HD ARG 87 HD2 ARG 87 -15.769 -23.751 -14.222 646 2HD ARG 87 HD1 ARG 87 -16.447 -25.242 -13.570 647 HE ARG 87 HE ARG 87 -16.282 -25.677 -16.266 648 1HH1 ARG 87 HH11 ARG 87 -13.988 -24.813 -13.763 649 2HH1 ARG 87 HH12 ARG 87 -12.648 -25.572 -14.560 650 1HH2 ARG 87 HH21 ARG 87 -14.522 -26.675 -17.306 651 2HH2 ARG 87 HH22 ARG 87 -12.947 -26.629 -16.569 652 H GLY 88 HN GLY 88 -15.572 -21.852 -14.037 653 1HA GLY 88 HA2 GLY 88 -13.206 -22.395 -15.649 654 2HA GLY 88 HA1 GLY 88 -13.268 -20.811 -14.888 655 H THR 89 HN THR 89 -11.210 -22.008 -14.109 656 HA THR 89 HA THR 89 -11.699 -22.781 -11.358 657 HB THR 89 HB THR 89 -10.166 -24.602 -13.250 658 HG1 THR 89 HG1 THR 89 -11.936 -26.052 -12.179 659 1HG2 THR 89 HG21 THR 89 -9.117 -24.499 -11.038 660 2HG2 THR 89 HG22 THR 89 -9.878 -26.068 -11.302 661 3HG2 THR 89 HG23 THR 89 -10.666 -24.867 -10.278 662 H VAL 90 HN VAL 90 -9.892 -22.356 -10.042 663 HA VAL 90 HA VAL 90 -7.397 -21.593 -11.364 664 HB VAL 90 HB VAL 90 -8.438 -19.450 -11.035 665 1HG1 VAL 90 HG11 VAL 90 -8.826 -20.193 -8.136 666 2HG1 VAL 90 HG12 VAL 90 -10.096 -20.085 -9.355 667 3HG1 VAL 90 HG13 VAL 90 -9.210 -18.637 -8.877 668 1HG2 VAL 90 HG21 VAL 90 -6.370 -19.926 -8.882 669 2HG2 VAL 90 HG22 VAL 90 -6.828 -18.354 -9.537 670 3HG2 VAL 90 HG23 VAL 90 -6.047 -19.547 -10.574 671 H GLU 91 HN GLU 91 -5.736 -22.531 -10.458 672 HA GLU 91 HA GLU 91 -6.063 -23.819 -7.832 673 1HB GLU 91 HB2 GLU 91 -5.521 -25.219 -9.866 674 2HB GLU 91 HB1 GLU 91 -3.980 -24.377 -9.963 675 1HG GLU 91 HG2 GLU 91 -3.385 -25.225 -7.739 676 2HG GLU 91 HG1 GLU 91 -4.927 -26.078 -7.660 677 H PHE 92 HN PHE 92 -4.723 -23.259 -6.154 678 HA PHE 92 HA PHE 92 -2.440 -21.531 -6.610 679 1HB PHE 92 HB2 PHE 92 -3.352 -19.669 -5.246 680 2HB PHE 92 HB1 PHE 92 -4.248 -19.909 -6.741 681 HD1 PHE 92 HD2 PHE 92 -6.513 -20.850 -6.700 682 HD2 PHE 92 HD1 PHE 92 -4.381 -20.049 -3.098 683 HE1 PHE 92 HE2 PHE 92 -8.607 -21.016 -5.424 684 HE2 PHE 92 HE1 PHE 92 -6.474 -20.217 -1.819 685 HZ PHE 92 HZ PHE 92 -8.592 -20.700 -2.982 686 H ILE 93 HN ILE 93 -1.665 -20.659 -4.407 687 HA ILE 93 HA ILE 93 -2.012 -22.688 -2.297 688 HB ILE 93 HB ILE 93 0.522 -21.223 -3.099 689 1HG1 ILE 93 HG12 ILE 93 -0.117 -24.187 -2.993 690 2HG1 ILE 93 HG11 ILE 93 -0.045 -23.219 -4.460 691 1HG2 ILE 93 HG21 ILE 93 0.367 -21.295 -0.668 692 2HG2 ILE 93 HG22 ILE 93 1.617 -22.404 -1.232 693 3HG2 ILE 93 HG23 ILE 93 0.049 -23.030 -0.718 694 1HD1 ILE 93 HD11 ILE 93 1.975 -24.531 -4.159 695 2HD1 ILE 93 HD12 ILE 93 2.255 -23.770 -2.594 696 3HD1 ILE 93 HD13 ILE 93 2.329 -22.806 -4.069 697 H ALA 94 HN ALA 94 -3.068 -21.787 -0.659 698 HA ALA 94 HA ALA 94 -2.864 -18.928 -0.123 699 1HB ALA 94 HB1 ALA 94 -5.079 -19.982 -0.086 700 2HB ALA 94 HB2 ALA 94 -4.661 -19.317 1.493 701 3HB ALA 94 HB3 ALA 94 -4.551 -21.055 1.211 702 H ARG 95 HN ARG 95 -1.281 -18.227 1.146 703 HA ARG 95 HA ARG 95 -0.059 -20.012 3.122 704 1HB ARG 95 HB2 ARG 95 1.460 -18.782 1.647 705 2HB ARG 95 HB1 ARG 95 0.737 -17.256 2.138 706 1HG ARG 95 HG2 ARG 95 1.502 -17.775 4.488 707 2HG ARG 95 HG1 ARG 95 2.416 -19.121 3.804 708 1HD ARG 95 HD2 ARG 95 3.626 -17.546 2.354 709 2HD ARG 95 HD1 ARG 95 2.723 -16.209 3.068 710 HE ARG 95 HE ARG 95 3.854 -17.381 5.225 711 1HH1 ARG 95 HH11 ARG 95 5.135 -16.197 2.175 712 2HH1 ARG 95 HH12 ARG 95 6.708 -15.852 2.836 713 1HH2 ARG 95 HH21 ARG 95 5.891 -16.905 6.090 714 2HH2 ARG 95 HH22 ARG 95 7.141 -16.268 5.060 715 H PHE 96 HN PHE 96 -0.813 -19.958 5.145 716 HA PHE 96 HA PHE 96 -1.772 -17.410 6.236 717 1HB PHE 96 HB2 PHE 96 -3.677 -18.698 7.322 718 2HB PHE 96 HB1 PHE 96 -3.814 -18.416 5.592 719 HD1 PHE 96 HD1 PHE 96 -2.401 -21.028 7.892 720 HD2 PHE 96 HD2 PHE 96 -4.575 -20.168 4.331 721 HE1 PHE 96 HE1 PHE 96 -2.739 -23.434 7.517 722 HE2 PHE 96 HE2 PHE 96 -4.920 -22.570 3.962 723 HZ PHE 96 HZ PHE 96 -4.003 -24.209 5.556 724 H ARG 97 HN ARG 97 -2.300 -17.720 8.622 725 HA ARG 97 HA ARG 97 -0.219 -19.351 9.925 726 1HB ARG 97 HB2 ARG 97 -0.090 -16.795 10.070 727 2HB ARG 97 HB1 ARG 97 -1.566 -16.863 11.018 728 1HG ARG 97 HG2 ARG 97 -0.444 -18.154 12.736 729 2HG ARG 97 HG1 ARG 97 1.029 -18.207 11.762 730 1HD ARG 97 HD2 ARG 97 1.091 -15.710 11.848 731 2HD ARG 97 HD1 ARG 97 -0.270 -15.761 12.969 732 HE ARG 97 HE ARG 97 1.482 -17.330 14.217 733 1HH1 ARG 97 HH11 ARG 97 1.920 -14.198 12.710 734 2HH1 ARG 97 HH12 ARG 97 3.210 -13.733 13.774 735 1HH2 ARG 97 HH21 ARG 97 3.186 -16.709 15.618 736 2HH2 ARG 97 HH22 ARG 97 3.915 -15.147 15.422 737 H ARG 98 HN ARG 98 -1.202 -21.152 10.719 738 HA ARG 98 HA ARG 98 -4.054 -21.123 11.177 739 1HB ARG 98 HB2 ARG 98 -3.831 -23.534 11.607 740 2HB ARG 98 HB1 ARG 98 -3.114 -23.060 10.076 741 1HG ARG 98 HG2 ARG 98 -0.894 -23.229 11.006 742 2HG ARG 98 HG1 ARG 98 -1.557 -23.559 12.611 743 1HD ARG 98 HD2 ARG 98 -2.577 -25.617 11.779 744 2HD ARG 98 HD1 ARG 98 -1.960 -25.281 10.163 745 HE ARG 98 HE ARG 98 0.261 -25.674 10.984 746 1HH1 ARG 98 HH11 ARG 98 -2.273 -26.481 13.262 747 2HH1 ARG 98 HH12 ARG 98 -1.331 -27.702 14.062 748 1HH2 ARG 98 HH21 ARG 98 1.497 -27.272 12.037 749 2HH2 ARG 98 HH22 ARG 98 0.813 -28.151 13.371 750 H GLY 99 HN GLY 99 -5.087 -21.759 13.122 751 1HA GLY 99 HA2 GLY 99 -5.524 -21.367 15.338 752 2HA GLY 99 HA1 GLY 99 -3.856 -21.841 15.645 753 H GLY 100 HN GLY 100 -2.268 -20.281 15.788 754 1HA GLY 100 HA2 GLY 100 -2.633 -17.560 15.050 755 2HA GLY 100 HA1 GLY 100 -2.833 -17.759 16.786 756 H GLY 101 HN GLY 101 -0.687 -19.900 15.116 757 1HA GLY 101 HA2 GLY 101 1.626 -18.427 16.204 758 2HA GLY 101 HA1 GLY 101 1.367 -20.111 16.632 759 HA PRO 102 HA PRO 102 3.708 -21.292 13.137 760 1HB PRO 102 HB2 PRO 102 2.660 -23.675 12.428 761 2HB PRO 102 HB1 PRO 102 3.501 -23.443 13.967 762 1HG PRO 102 HG2 PRO 102 0.553 -23.489 13.411 763 2HG PRO 102 HG1 PRO 102 1.453 -24.259 14.732 764 1HD PRO 102 HD2 PRO 102 0.110 -21.894 15.010 765 2HD PRO 102 HD1 PRO 102 1.545 -22.316 15.965 766 H GLU 103 HN GLU 103 3.823 -20.781 11.035 767 HA GLU 103 HA GLU 103 1.476 -20.160 9.491 768 1HB GLU 103 HB2 GLU 103 4.421 -20.271 8.808 769 2HB GLU 103 HB1 GLU 103 3.187 -19.896 7.614 770 1HG GLU 103 HG2 GLU 103 2.543 -17.915 8.824 771 2HG GLU 103 HG1 GLU 103 3.652 -18.312 10.137 772 H GLN 104 HN GLN 104 0.913 -21.193 7.497 773 HA GLN 104 HA GLN 104 2.011 -23.741 6.789 774 1HB GLN 104 HB2 GLN 104 0.576 -24.359 8.722 775 2HB GLN 104 HB1 GLN 104 -0.807 -23.645 7.906 776 1HG GLN 104 HG2 GLN 104 -0.671 -25.300 6.143 777 2HG GLN 104 HG1 GLN 104 0.792 -25.978 6.860 778 1HE2 GLN 104 HE21 GLN 104 -2.660 -25.657 7.154 779 2HE2 GLN 104 HE22 GLN 104 -2.881 -26.888 8.345 780 H SER 105 HN SER 105 1.332 -24.382 4.739 781 HA SER 105 HA SER 105 -0.197 -22.338 3.280 782 1HB SER 105 HB2 SER 105 0.967 -23.358 1.252 783 2HB SER 105 HB1 SER 105 2.015 -22.518 2.395 784 HG SER 105 HG SER 105 1.714 -25.291 1.961 785 H HIS 106 HN HIS 106 -1.755 -22.953 1.763 786 HA HIS 106 HA HIS 106 -2.668 -25.752 1.860 787 1HB HIS 106 HB2 HIS 106 -4.171 -24.536 3.286 788 2HB HIS 106 HB1 HIS 106 -4.330 -23.236 2.113 789 HD1 HIS 106 HD1 HIS 106 -5.136 -26.973 2.273 790 HD2 HIS 106 HD2 HIS 106 -6.584 -23.425 0.661 791 HE1 HIS 106 HE1 HIS 106 -7.333 -27.561 1.202 792 HE2 HIS 106 HE2 HIS 106 -8.252 -25.370 0.353 793 H HIS 107 HN HIS 107 -2.150 -26.448 -0.098 794 HA HIS 107 HA HIS 107 -2.554 -24.768 -2.458 795 1HB HIS 107 HB2 HIS 107 -0.440 -25.918 -2.381 796 2HB HIS 107 HB1 HIS 107 -1.219 -27.455 -2.037 797 HD1 HIS 107 HD1 HIS 107 -0.095 -28.550 -4.081 798 HD2 HIS 107 HD2 HIS 107 -2.581 -25.352 -5.034 799 HE1 HIS 107 HE1 HIS 107 -0.393 -28.645 -6.575 800 HE2 HIS 107 HE2 HIS 107 -1.846 -26.669 -7.141 801 H GLU 108 HN GLU 108 -4.625 -24.752 -3.131 802 HA GLU 108 HA GLU 108 -5.944 -27.363 -3.456 803 1HB GLU 108 HB2 GLU 108 -8.034 -26.532 -2.720 804 2HB GLU 108 HB1 GLU 108 -6.860 -26.091 -1.493 805 1HG GLU 108 HG2 GLU 108 -6.915 -23.823 -2.097 806 2HG GLU 108 HG1 GLU 108 -7.698 -24.165 -3.641 807 H ARG 109 HN ARG 109 -8.121 -26.835 -4.724 808 HA ARG 109 HA ARG 109 -7.484 -25.190 -7.074 809 1HB ARG 109 HB2 ARG 109 -6.873 -27.559 -7.521 810 2HB ARG 109 HB1 ARG 109 -8.513 -28.046 -7.123 811 1HG ARG 109 HG2 ARG 109 -9.367 -26.790 -9.028 812 2HG ARG 109 HG1 ARG 109 -7.732 -26.246 -9.413 813 1HD ARG 109 HD2 ARG 109 -7.063 -28.626 -9.701 814 2HD ARG 109 HD1 ARG 109 -8.745 -29.092 -9.442 815 HE ARG 109 HE ARG 109 -9.313 -28.178 -11.523 816 1HH1 ARG 109 HH11 ARG 109 -5.890 -27.822 -10.825 817 2HH1 ARG 109 HH12 ARG 109 -5.469 -27.481 -12.474 818 1HH2 ARG 109 HH21 ARG 109 -8.745 -27.740 -13.697 819 2HH2 ARG 109 HH22 ARG 109 -7.084 -27.422 -14.096 820 H SER 110 HN SER 110 -9.066 -23.688 -6.996 821 HA SER 110 HA SER 110 -11.701 -24.441 -5.950 822 1HB SER 110 HB2 SER 110 -10.636 -21.668 -6.536 823 2HB SER 110 HB1 SER 110 -12.059 -22.086 -5.583 824 HG SER 110 HG SER 110 -10.470 -23.265 -4.199 825 H GLN 111 HN GLN 111 -13.378 -24.713 -7.257 826 HA GLN 111 HA GLN 111 -13.269 -23.926 -10.054 827 1HB GLN 111 HB2 GLN 111 -15.381 -25.419 -8.467 828 2HB GLN 111 HB1 GLN 111 -15.499 -25.073 -10.185 829 1HG GLN 111 HG2 GLN 111 -14.795 -27.317 -9.977 830 2HG GLN 111 HG1 GLN 111 -13.395 -26.393 -10.512 831 1HE2 GLN 111 HE21 GLN 111 -11.652 -26.145 -9.124 832 2HE2 GLN 111 HE22 GLN 111 -11.469 -27.074 -7.678 833 H PHE 112 HN PHE 112 -14.624 -22.428 -11.014 834 HA PHE 112 HA PHE 112 -16.355 -20.811 -9.267 835 1HB PHE 112 HB2 PHE 112 -14.174 -19.796 -11.102 836 2HB PHE 112 HB1 PHE 112 -15.499 -18.772 -10.565 837 HD1 PHE 112 HD1 PHE 112 -12.561 -20.707 -9.425 838 HD2 PHE 112 HD2 PHE 112 -15.519 -17.819 -8.399 839 HE1 PHE 112 HE1 PHE 112 -11.319 -20.163 -7.376 840 HE2 PHE 112 HE2 PHE 112 -14.279 -17.274 -6.346 841 HZ PHE 112 HZ PHE 112 -12.176 -18.445 -5.833 842 H ARG 113 HN ARG 113 -18.210 -20.090 -10.212 843 HA ARG 113 HA ARG 113 -18.686 -20.761 -13.041 844 1HB ARG 113 HB2 ARG 113 -20.306 -21.696 -11.421 845 2HB ARG 113 HB1 ARG 113 -20.669 -20.071 -10.848 846 1HG ARG 113 HG2 ARG 113 -21.525 -19.475 -13.063 847 2HG ARG 113 HG1 ARG 113 -21.160 -21.095 -13.646 848 1HD ARG 113 HD2 ARG 113 -23.337 -20.149 -11.847 849 2HD ARG 113 HD1 ARG 113 -23.390 -21.342 -13.144 850 HE ARG 113 HE ARG 113 -22.556 -21.786 -10.373 851 1HH1 ARG 113 HH11 ARG 113 -23.104 -23.142 -13.562 852 2HH1 ARG 113 HH12 ARG 113 -23.178 -24.775 -12.979 853 1HH2 ARG 113 HH21 ARG 113 -22.648 -23.900 -9.621 854 2HH2 ARG 113 HH22 ARG 113 -22.922 -25.211 -10.732 855 H LYS 114 HN LYS 114 -19.541 -19.166 -14.449 856 HA LYS 114 HA LYS 114 -19.098 -16.417 -13.517 857 1HB LYS 114 HB2 LYS 114 -17.779 -17.291 -15.494 858 2HB LYS 114 HB1 LYS 114 -19.297 -17.322 -16.385 859 1HG LYS 114 HG2 LYS 114 -19.562 -14.925 -16.061 860 2HG LYS 114 HG1 LYS 114 -18.078 -14.878 -15.106 861 1HD LYS 114 HD2 LYS 114 -16.873 -15.764 -17.139 862 2HD LYS 114 HD1 LYS 114 -18.366 -15.496 -18.045 863 1HE LYS 114 HE2 LYS 114 -18.295 -13.116 -17.341 864 2HE LYS 114 HE1 LYS 114 -16.734 -13.418 -16.584 865 1HZ LYS 114 HZ1 LYS 114 -17.303 -13.829 -19.472 866 2HZ LYS 114 HZ2 LYS 114 -15.798 -13.973 -18.716 867 3HZ LYS 114 HZ3 LYS 114 -16.549 -12.461 -18.830 868 H ALA 115 HN ALA 115 -20.795 -15.202 -13.146 869 HA ALA 115 HA ALA 115 -23.172 -15.392 -14.831 870 1HB ALA 115 HB1 ALA 115 -24.676 -15.389 -12.877 871 2HB ALA 115 HB2 ALA 115 -23.281 -15.561 -11.810 872 3HB ALA 115 HB3 ALA 115 -23.691 -16.852 -12.939 873 H ARG 116 HN ARG 116 -24.154 -13.411 -15.121 874 HA ARG 116 HA ARG 116 -24.395 -11.146 -15.168 875 1HB ARG 116 HB2 ARG 116 -23.283 -11.339 -12.354 876 2HB ARG 116 HB1 ARG 116 -23.944 -9.869 -13.056 877 1HG ARG 116 HG2 ARG 116 -25.479 -12.429 -12.619 878 2HG ARG 116 HG1 ARG 116 -25.529 -11.011 -11.569 879 1HD ARG 116 HD2 ARG 116 -26.276 -9.691 -13.592 880 2HD ARG 116 HD1 ARG 116 -26.472 -11.235 -14.422 881 HE ARG 116 HE ARG 116 -28.058 -11.797 -12.541 882 1HH1 ARG 116 HH11 ARG 116 -27.483 -8.496 -13.558 883 2HH1 ARG 116 HH12 ARG 116 -29.038 -7.932 -13.044 884 1HH2 ARG 116 HH21 ARG 116 -30.103 -11.055 -11.850 885 2HH2 ARG 116 HH22 ARG 116 -30.526 -9.386 -12.062 886 H GLY 117 HN GLY 117 -21.643 -12.597 -15.600 887 1HA GLY 117 HA2 GLY 117 -19.653 -11.793 -16.538 888 2HA GLY 117 HA1 GLY 117 -20.078 -10.168 -16.012 889 H ARG 118 HN ARG 118 -20.699 -11.703 -13.349 890 HA ARG 118 HA ARG 118 -18.051 -11.318 -12.190 891 1HB ARG 118 HB2 ARG 118 -20.771 -11.830 -10.948 892 2HB ARG 118 HB1 ARG 118 -19.287 -11.772 -10.013 893 1HG ARG 118 HG2 ARG 118 -20.337 -9.672 -9.769 894 2HG ARG 118 HG1 ARG 118 -18.961 -9.424 -10.841 895 1HD ARG 118 HD2 ARG 118 -20.392 -9.332 -12.763 896 2HD ARG 118 HD1 ARG 118 -21.790 -9.836 -11.811 897 HE ARG 118 HE ARG 118 -21.036 -7.573 -10.567 898 1HH1 ARG 118 HH11 ARG 118 -21.625 -8.259 -13.953 899 2HH1 ARG 118 HH12 ARG 118 -22.185 -6.659 -14.304 900 1HH2 ARG 118 HH21 ARG 118 -21.797 -5.474 -11.040 901 2HH2 ARG 118 HH22 ARG 118 -22.277 -5.082 -12.661 902 H TRP 119 HN TRP 119 -17.148 -12.983 -10.787 903 HA TRP 119 HA TRP 119 -17.915 -15.695 -11.633 904 1HB TRP 119 HB2 TRP 119 -15.257 -14.541 -10.792 905 2HB TRP 119 HB1 TRP 119 -15.551 -16.278 -10.822 906 HD1 TRP 119 HD1 TRP 119 -15.375 -13.257 -13.231 907 HE1 TRP 119 HE1 TRP 119 -14.867 -14.154 -15.591 908 HE3 TRP 119 HE3 TRP 119 -15.691 -18.254 -12.277 909 HZ2 TRP 119 HZ2 TRP 119 -14.645 -16.653 -16.879 910 HZ3 TRP 119 HZ3 TRP 119 -15.328 -19.837 -14.124 911 HH2 TRP 119 HH2 TRP 119 -14.816 -19.052 -16.381 912 H TYR 120 HN TYR 120 -18.203 -17.285 -10.114 913 HA TYR 120 HA TYR 120 -18.399 -16.410 -7.312 914 1HB TYR 120 HB2 TYR 120 -20.483 -17.926 -8.910 915 2HB TYR 120 HB1 TYR 120 -20.551 -17.671 -7.170 916 HD1 TYR 120 HD1 TYR 120 -21.065 -15.468 -6.251 917 HD2 TYR 120 HD2 TYR 120 -20.937 -16.095 -10.462 918 HE1 TYR 120 HE1 TYR 120 -22.213 -13.327 -6.600 919 HE2 TYR 120 HE2 TYR 120 -22.086 -13.950 -10.819 920 HH TYR 120 HH TYR 120 -22.506 -11.653 -8.314 921 H PHE 121 HN PHE 121 -17.690 -17.839 -5.856 922 HA PHE 121 HA PHE 121 -16.201 -20.109 -6.613 923 1HB PHE 121 HB2 PHE 121 -15.549 -18.994 -4.635 924 2HB PHE 121 HB1 PHE 121 -17.176 -19.036 -3.968 925 HD1 PHE 121 HD1 PHE 121 -14.219 -21.113 -4.762 926 HD2 PHE 121 HD2 PHE 121 -17.914 -20.855 -2.657 927 HE1 PHE 121 HE1 PHE 121 -13.670 -23.171 -3.543 928 HE2 PHE 121 HE2 PHE 121 -17.371 -22.913 -1.435 929 HZ PHE 121 HZ PHE 121 -15.239 -24.075 -1.870 930 H SER 122 HN SER 122 -16.956 -22.025 -7.240 931 HA SER 122 HA SER 122 -19.697 -22.797 -6.591 932 1HB SER 122 HB2 SER 122 -17.686 -24.069 -8.474 933 2HB SER 122 HB1 SER 122 -19.378 -24.540 -8.309 934 HG SER 122 HG SER 122 -19.914 -22.362 -8.947 935 H GLU 123 HN GLU 123 -16.420 -24.175 -6.408 936 HA GLU 123 HA GLU 123 -16.878 -25.381 -3.883 937 1HB GLU 123 HB2 GLU 123 -16.615 -27.760 -4.642 938 2HB GLU 123 HB1 GLU 123 -18.156 -27.029 -5.072 939 1HG GLU 123 HG2 GLU 123 -17.315 -26.635 -7.352 940 2HG GLU 123 HG1 GLU 123 -15.799 -27.422 -6.913 941 H GLY 124 HN GLY 124 -14.962 -26.293 -3.016 942 1HA GLY 124 HA2 GLY 124 -12.541 -26.080 -4.680 943 2HA GLY 124 HA1 GLY 124 -12.632 -25.155 -3.185 944 H GLU 125 HN GLU 125 -10.693 -27.152 -3.778 945 HA GLU 125 HA GLU 125 -10.939 -28.780 -1.438 946 1HB GLU 125 HB2 GLU 125 -10.862 -30.961 -2.538 947 2HB GLU 125 HB1 GLU 125 -12.328 -30.097 -2.984 948 1HG GLU 125 HG2 GLU 125 -11.342 -29.486 -5.125 949 2HG GLU 125 HG1 GLU 125 -9.841 -30.297 -4.680 950 H ALA 126 HN ALA 126 -8.988 -29.649 -0.795 951 HA ALA 126 HA ALA 126 -6.604 -28.539 -1.828 952 1HB ALA 126 HB1 ALA 126 -5.453 -30.014 -0.251 953 2HB ALA 126 HB2 ALA 126 -6.943 -30.924 0.002 954 3HB ALA 126 HB3 ALA 126 -6.841 -29.239 0.514 955 H VAL 127 HN VAL 127 -5.868 -29.024 -3.792 956 HA VAL 127 HA VAL 127 -6.423 -31.524 -5.086 957 HB VAL 127 HB VAL 127 -6.344 -29.412 -6.354 958 1HG1 VAL 127 HG11 VAL 127 -4.204 -28.331 -6.861 959 2HG1 VAL 127 HG12 VAL 127 -3.384 -29.434 -5.756 960 3HG1 VAL 127 HG13 VAL 127 -4.564 -28.279 -5.135 961 1HG2 VAL 127 HG21 VAL 127 -4.246 -31.410 -7.220 962 2HG2 VAL 127 HG22 VAL 127 -5.019 -30.216 -8.263 963 3HG2 VAL 127 HG23 VAL 127 -5.977 -31.510 -7.544 964 H ASP 128 HN ASP 128 -4.937 -33.106 -5.704 965 HA ASP 128 HA ASP 128 -2.712 -33.441 -3.865 966 1HB ASP 128 HB2 ASP 128 -3.782 -35.328 -5.988 967 2HB ASP 128 HB1 ASP 128 -2.584 -35.728 -4.762 Start of MODEL 20 1 1H MET 1 HT1 MET 1 -0.967 2.531 0.620 2 2H MET 1 HT2 MET 1 -0.531 0.899 0.564 3 3H MET 1 HT3 MET 1 -2.152 1.348 0.391 4 HA MET 1 HA MET 1 -1.720 2.425 -1.675 5 1HB MET 1 HB2 MET 1 0.550 3.208 -1.205 6 2HB MET 1 HB1 MET 1 1.146 1.554 -1.197 7 1HG MET 1 HG2 MET 1 0.594 1.339 -3.569 8 2HG MET 1 HG1 MET 1 -0.015 2.993 -3.580 9 1HE MET 1 HE1 MET 1 1.489 5.117 -3.170 10 2HE MET 1 HE2 MET 1 3.239 5.074 -2.958 11 3HE MET 1 HE3 MET 1 2.182 4.464 -1.685 12 H ASN 2 HN ASN 2 0.356 -0.400 -1.020 13 HA ASN 2 HA ASN 2 -0.529 -1.828 -3.311 14 1HB ASN 2 HB2 ASN 2 0.941 -2.802 -0.842 15 2HB ASN 2 HB1 ASN 2 0.743 -3.725 -2.330 16 1HD2 ASN 2 HD21 ASN 2 3.155 -2.742 -0.945 17 2HD2 ASN 2 HD22 ASN 2 4.017 -1.817 -2.122 18 H CYS 3 HN CYS 3 -1.192 -4.318 -2.751 19 HA CYS 3 HA CYS 3 -3.537 -4.167 -0.969 20 1HB CYS 3 HB2 CYS 3 -3.934 -3.934 -3.576 21 2HB CYS 3 HB1 CYS 3 -3.727 -5.687 -3.547 22 H VAL 4 HN VAL 4 -3.696 -5.863 0.384 23 HA VAL 4 HA VAL 4 -1.905 -8.037 0.348 24 HB VAL 4 HB VAL 4 -3.478 -9.111 1.994 25 1HG1 VAL 4 HG11 VAL 4 -3.052 -7.469 3.760 26 2HG1 VAL 4 HG12 VAL 4 -2.710 -6.239 2.541 27 3HG1 VAL 4 HG13 VAL 4 -1.654 -7.643 2.698 28 1HG2 VAL 4 HG21 VAL 4 -5.583 -8.206 1.153 29 2HG2 VAL 4 HG22 VAL 4 -5.072 -6.572 1.576 30 3HG2 VAL 4 HG23 VAL 4 -5.357 -7.765 2.846 31 H CYS 5 HN CYS 5 -1.966 -8.741 -1.762 32 HA CYS 5 HA CYS 5 -3.777 -10.855 -2.384 33 1HB CYS 5 HB2 CYS 5 -3.934 -8.318 -4.034 34 2HB CYS 5 HB1 CYS 5 -4.614 -9.864 -4.525 35 H GLY 6 HN GLY 6 -2.854 -12.228 -3.919 36 1HA GLY 6 HA2 GLY 6 -0.176 -11.818 -4.768 37 2HA GLY 6 HA1 GLY 6 -1.269 -13.065 -5.359 38 H SER 7 HN SER 7 -0.499 -9.629 -5.659 39 HA SER 7 HA SER 7 -0.646 -9.547 -8.471 40 1HB SER 7 HB2 SER 7 -2.718 -8.111 -8.626 41 2HB SER 7 HB1 SER 7 -3.053 -9.785 -8.176 42 HG SER 7 HG SER 7 -2.571 -8.123 -6.042 43 H GLY 8 HN GLY 8 0.444 -7.730 -9.115 44 1HA GLY 8 HA2 GLY 8 1.427 -5.894 -7.118 45 2HA GLY 8 HA1 GLY 8 1.792 -5.867 -8.839 46 H LYS 9 HN LYS 9 -1.068 -5.475 -6.785 47 HA LYS 9 HA LYS 9 -1.884 -3.153 -8.420 48 1HB LYS 9 HB2 LYS 9 -3.678 -5.270 -7.205 49 2HB LYS 9 HB1 LYS 9 -4.201 -3.904 -8.178 50 1HG LYS 9 HG2 LYS 9 -2.298 -5.948 -9.274 51 2HG LYS 9 HG1 LYS 9 -4.036 -6.220 -9.273 52 1HD LYS 9 HD2 LYS 9 -2.683 -3.821 -10.518 53 2HD LYS 9 HD1 LYS 9 -3.166 -5.267 -11.408 54 1HE LYS 9 HE2 LYS 9 -5.502 -4.884 -10.749 55 2HE LYS 9 HE1 LYS 9 -5.017 -3.433 -9.875 56 1HZ LYS 9 HZ1 LYS 9 -4.644 -3.837 -12.790 57 2HZ LYS 9 HZ2 LYS 9 -4.341 -2.420 -11.920 58 3HZ LYS 9 HZ3 LYS 9 -5.925 -2.981 -12.097 59 H THR 10 HN THR 10 -3.207 -1.579 -7.324 60 HA THR 10 HA THR 10 -2.480 -1.222 -4.560 61 HB THR 10 HB THR 10 -3.571 0.925 -4.653 62 HG1 THR 10 HG1 THR 10 -4.693 1.517 -6.629 63 1HG2 THR 10 HG21 THR 10 -2.405 1.973 -6.547 64 2HG2 THR 10 HG22 THR 10 -2.123 0.381 -7.252 65 3HG2 THR 10 HG23 THR 10 -1.371 0.812 -5.715 66 H TYR 11 HN TYR 11 -4.275 -0.507 -2.982 67 HA TYR 11 HA TYR 11 -5.994 -2.661 -2.504 68 1HB TYR 11 HB2 TYR 11 -5.311 -1.145 -0.722 69 2HB TYR 11 HB1 TYR 11 -6.156 0.193 -1.492 70 HD1 TYR 11 HD2 TYR 11 -6.762 -3.181 -0.009 71 HD2 TYR 11 HD1 TYR 11 -8.366 0.671 -0.869 72 HE1 TYR 11 HE2 TYR 11 -8.776 -3.734 1.284 73 HE2 TYR 11 HE1 TYR 11 -10.384 0.123 0.423 74 HH TYR 11 HH TYR 11 -11.613 -1.824 1.204 75 H ASP 12 HN ASP 12 -6.753 0.582 -3.727 76 HA ASP 12 HA ASP 12 -9.496 0.047 -4.229 77 1HB ASP 12 HB2 ASP 12 -8.717 2.322 -3.858 78 2HB ASP 12 HB1 ASP 12 -7.674 2.232 -5.273 79 H ASP 13 HN ASP 13 -6.692 0.375 -6.418 80 HA ASP 13 HA ASP 13 -7.996 0.001 -8.840 81 1HB ASP 13 HB2 ASP 13 -5.508 0.598 -8.369 82 2HB ASP 13 HB1 ASP 13 -5.250 -1.136 -8.311 83 H CYS 14 HN CYS 14 -6.980 -2.316 -6.463 84 HA CYS 14 HA CYS 14 -7.664 -4.578 -8.175 85 1HB CYS 14 HB2 CYS 14 -5.655 -4.962 -7.041 86 2HB CYS 14 HB1 CYS 14 -6.257 -4.284 -5.538 87 H CYS 15 HN CYS 15 -8.335 -4.107 -4.676 88 HA CYS 15 HA CYS 15 -10.663 -5.769 -4.947 89 1HB CYS 15 HB2 CYS 15 -9.419 -4.360 -2.594 90 2HB CYS 15 HB1 CYS 15 -10.959 -5.204 -2.461 91 H GLY 16 HN GLY 16 -10.176 -2.374 -5.178 92 1HA GLY 16 HA2 GLY 16 -12.326 -1.332 -3.766 93 2HA GLY 16 HA1 GLY 16 -11.602 -0.578 -5.173 94 HA PRO 17 HA PRO 17 -15.178 -1.410 -7.618 95 1HB PRO 17 HB2 PRO 17 -14.460 -2.858 -9.806 96 2HB PRO 17 HB1 PRO 17 -13.989 -1.172 -9.574 97 1HG PRO 17 HG2 PRO 17 -12.404 -3.666 -9.084 98 2HG PRO 17 HG1 PRO 17 -11.892 -2.144 -9.839 99 1HD PRO 17 HD2 PRO 17 -11.324 -2.770 -7.256 100 2HD PRO 17 HD1 PRO 17 -11.568 -1.101 -7.808 101 H LEU 18 HN LEU 18 -13.436 -4.318 -6.782 102 HA LEU 18 HA LEU 18 -15.571 -6.125 -7.424 103 1HB LEU 18 HB2 LEU 18 -12.999 -6.437 -5.880 104 2HB LEU 18 HB1 LEU 18 -14.172 -7.734 -5.986 105 HG LEU 18 HG LEU 18 -12.474 -8.155 -7.618 106 1HD1 LEU 18 HD11 LEU 18 -14.908 -7.046 -9.019 107 2HD1 LEU 18 HD12 LEU 18 -14.761 -8.655 -8.309 108 3HD1 LEU 18 HD13 LEU 18 -13.755 -8.204 -9.684 109 1HD2 LEU 18 HD21 LEU 18 -12.977 -5.378 -8.696 110 2HD2 LEU 18 HD22 LEU 18 -11.887 -6.581 -9.388 111 3HD2 LEU 18 HD23 LEU 18 -11.554 -5.901 -7.797 112 H LEU 19 HN LEU 19 -14.223 -4.882 -4.373 113 HA LEU 19 HA LEU 19 -16.138 -6.032 -2.659 114 1HB LEU 19 HB2 LEU 19 -14.211 -3.745 -2.420 115 2HB LEU 19 HB1 LEU 19 -15.413 -3.984 -1.166 116 HG LEU 19 HG LEU 19 -13.492 -6.169 -1.991 117 1HD1 LEU 19 HD11 LEU 19 -12.200 -4.230 -1.214 118 2HD1 LEU 19 HD12 LEU 19 -12.130 -5.560 -0.059 119 3HD1 LEU 19 HD13 LEU 19 -13.172 -4.171 0.257 120 1HD2 LEU 19 HD21 LEU 19 -15.163 -5.750 0.489 121 2HD2 LEU 19 HD22 LEU 19 -14.068 -7.101 0.191 122 3HD2 LEU 19 HD23 LEU 19 -15.502 -6.893 -0.811 123 H ALA 20 HN ALA 20 -16.087 -3.075 -4.521 124 HA ALA 20 HA ALA 20 -18.337 -1.814 -3.386 125 1HB ALA 20 HB1 ALA 20 -16.736 -0.652 -4.832 126 2HB ALA 20 HB2 ALA 20 -18.387 -0.473 -5.425 127 3HB ALA 20 HB3 ALA 20 -17.285 -1.605 -6.210 128 H ARG 21 HN ARG 21 -18.119 -4.661 -5.195 129 HA ARG 21 HA ARG 21 -19.650 -6.115 -6.036 130 1HB ARG 21 HB2 ARG 21 -21.596 -4.343 -4.527 131 2HB ARG 21 HB1 ARG 21 -22.017 -5.892 -5.244 132 1HG ARG 21 HG2 ARG 21 -19.860 -5.591 -3.162 133 2HG ARG 21 HG1 ARG 21 -21.551 -5.890 -2.760 134 1HD ARG 21 HD2 ARG 21 -20.020 -7.671 -4.644 135 2HD ARG 21 HD1 ARG 21 -19.997 -7.916 -2.899 136 HE ARG 21 HE ARG 21 -22.482 -8.127 -3.065 137 1HH1 ARG 21 HH11 ARG 21 -20.490 -8.808 -5.866 138 2HH1 ARG 21 HH12 ARG 21 -21.619 -9.929 -6.551 139 1HH2 ARG 21 HH21 ARG 21 -23.946 -9.621 -3.938 140 2HH2 ARG 21 HH22 ARG 21 -23.584 -10.403 -5.445 141 H THR 22 HN THR 22 -19.039 -3.389 -7.315 142 HA THR 22 HA THR 22 -21.434 -3.025 -8.961 143 HB THR 22 HB THR 22 -20.433 -1.037 -7.826 144 HG1 THR 22 HG1 THR 22 -20.182 -0.749 -10.645 145 1HG2 THR 22 HG21 THR 22 -18.365 -0.060 -8.721 146 2HG2 THR 22 HG22 THR 22 -18.136 -1.476 -9.746 147 3HG2 THR 22 HG23 THR 22 -18.063 -1.637 -7.991 148 H ARG 23 HN ARG 23 -18.060 -3.986 -9.153 149 HA ARG 23 HA ARG 23 -18.331 -4.257 -12.079 150 1HB ARG 23 HB2 ARG 23 -16.638 -2.604 -11.428 151 2HB ARG 23 HB1 ARG 23 -15.820 -3.816 -10.451 152 1HG ARG 23 HG2 ARG 23 -15.301 -5.113 -12.440 153 2HG ARG 23 HG1 ARG 23 -16.184 -3.959 -13.445 154 1HD ARG 23 HD2 ARG 23 -13.675 -3.432 -11.844 155 2HD ARG 23 HD1 ARG 23 -13.811 -3.518 -13.601 156 HE ARG 23 HE ARG 23 -15.557 -1.541 -12.857 157 1HH1 ARG 23 HH11 ARG 23 -12.110 -2.091 -12.512 158 2HH1 ARG 23 HH12 ARG 23 -11.732 -0.401 -12.379 159 1HH2 ARG 23 HH21 ARG 23 -15.060 0.663 -12.724 160 2HH2 ARG 23 HH22 ARG 23 -13.411 1.172 -12.530 161 H SER 24 HN SER 24 -18.141 -6.203 -12.941 162 HA SER 24 HA SER 24 -17.516 -8.501 -11.307 163 1HB SER 24 HB2 SER 24 -17.923 -9.692 -13.555 164 2HB SER 24 HB1 SER 24 -19.289 -8.836 -12.841 165 HG SER 24 HG SER 24 -18.140 -8.450 -15.224 166 H ALA 25 HN ALA 25 -15.626 -9.576 -11.254 167 HA ALA 25 HA ALA 25 -13.241 -8.450 -12.166 168 1HB ALA 25 HB1 ALA 25 -13.742 -11.327 -11.397 169 2HB ALA 25 HB2 ALA 25 -13.394 -10.011 -10.276 170 3HB ALA 25 HB3 ALA 25 -12.177 -10.516 -11.447 171 H ALA 26 HN ALA 26 -15.428 -10.668 -13.700 172 HA ALA 26 HA ALA 26 -15.551 -11.582 -15.769 173 1HB ALA 26 HB1 ALA 26 -15.304 -9.255 -16.478 174 2HB ALA 26 HB2 ALA 26 -14.536 -10.357 -17.622 175 3HB ALA 26 HB3 ALA 26 -13.549 -9.438 -16.485 176 H SER 27 HN SER 27 -13.222 -12.256 -13.827 177 HA SER 27 HA SER 27 -12.120 -14.339 -15.443 178 1HB SER 27 HB2 SER 27 -9.701 -13.616 -14.991 179 2HB SER 27 HB1 SER 27 -10.568 -12.714 -16.233 180 HG SER 27 HG SER 27 -10.979 -11.101 -14.657 181 HA PRO 28 HA PRO 28 -12.466 -16.331 -11.594 182 1HB PRO 28 HB2 PRO 28 -10.444 -18.221 -11.796 183 2HB PRO 28 HB1 PRO 28 -12.045 -18.370 -12.526 184 1HG PRO 28 HG2 PRO 28 -9.472 -17.466 -13.764 185 2HG PRO 28 HG1 PRO 28 -10.736 -18.514 -14.440 186 1HD PRO 28 HD2 PRO 28 -10.536 -15.941 -15.162 187 2HD PRO 28 HD1 PRO 28 -12.123 -16.715 -14.960 188 H GLU 29 HN GLU 29 -8.992 -15.912 -12.380 189 HA GLU 29 HA GLU 29 -8.106 -15.976 -9.715 190 1HB GLU 29 HB2 GLU 29 -6.022 -14.917 -10.579 191 2HB GLU 29 HB1 GLU 29 -6.529 -16.330 -11.497 192 1HG GLU 29 HG2 GLU 29 -7.191 -15.065 -13.331 193 2HG GLU 29 HG1 GLU 29 -7.310 -13.580 -12.389 194 H ALA 30 HN ALA 30 -9.111 -13.282 -11.769 195 HA ALA 30 HA ALA 30 -8.235 -11.171 -10.145 196 1HB ALA 30 HB1 ALA 30 -9.787 -9.768 -11.402 197 2HB ALA 30 HB2 ALA 30 -10.590 -11.207 -12.035 198 3HB ALA 30 HB3 ALA 30 -8.917 -10.863 -12.476 199 H LEU 31 HN LEU 31 -11.281 -12.944 -10.220 200 HA LEU 31 HA LEU 31 -12.555 -11.432 -8.178 201 1HB LEU 31 HB2 LEU 31 -13.745 -12.834 -9.844 202 2HB LEU 31 HB1 LEU 31 -13.069 -14.271 -9.110 203 HG LEU 31 HG LEU 31 -15.505 -13.667 -8.575 204 1HD1 LEU 31 HD11 LEU 31 -15.375 -14.516 -6.319 205 2HD1 LEU 31 HD12 LEU 31 -13.645 -14.168 -6.267 206 3HD1 LEU 31 HD13 LEU 31 -14.266 -15.389 -7.377 207 1HD2 LEU 31 HD21 LEU 31 -15.875 -12.101 -6.755 208 2HD2 LEU 31 HD22 LEU 31 -15.149 -11.288 -8.140 209 3HD2 LEU 31 HD23 LEU 31 -14.159 -11.693 -6.737 210 H MET 32 HN MET 32 -10.551 -14.332 -8.221 211 HA MET 32 HA MET 32 -11.152 -15.157 -5.596 212 1HB MET 32 HB2 MET 32 -10.232 -16.669 -7.323 213 2HB MET 32 HB1 MET 32 -8.685 -15.832 -7.206 214 1HG MET 32 HG2 MET 32 -8.779 -17.951 -5.917 215 2HG MET 32 HG1 MET 32 -8.402 -16.537 -4.930 216 1HE MET 32 HE1 MET 32 -9.015 -17.568 -2.632 217 2HE MET 32 HE2 MET 32 -9.254 -19.121 -3.433 218 3HE MET 32 HE3 MET 32 -10.477 -18.505 -2.323 219 H ARG 33 HN ARG 33 -8.295 -13.335 -6.841 220 HA ARG 33 HA ARG 33 -7.132 -13.276 -4.230 221 1HB ARG 33 HB2 ARG 33 -5.330 -12.110 -5.077 222 2HB ARG 33 HB1 ARG 33 -5.881 -13.003 -6.480 223 1HG ARG 33 HG2 ARG 33 -6.650 -10.133 -5.986 224 2HG ARG 33 HG1 ARG 33 -5.175 -10.595 -6.832 225 1HD ARG 33 HD2 ARG 33 -6.831 -12.030 -8.282 226 2HD ARG 33 HD1 ARG 33 -8.024 -10.879 -7.676 227 HE ARG 33 HE ARG 33 -6.732 -9.104 -8.713 228 1HH1 ARG 33 HH11 ARG 33 -5.929 -12.376 -9.687 229 2HH1 ARG 33 HH12 ARG 33 -5.240 -11.901 -11.206 230 1HH2 ARG 33 HH21 ARG 33 -5.810 -8.476 -10.721 231 2HH2 ARG 33 HH22 ARG 33 -5.191 -9.687 -11.798 232 H SER 34 HN SER 34 -9.463 -11.324 -5.841 233 HA SER 34 HA SER 34 -9.333 -9.103 -4.054 234 1HB SER 34 HB2 SER 34 -11.598 -10.114 -5.800 235 2HB SER 34 HB1 SER 34 -11.589 -8.563 -4.955 236 HG SER 34 HG SER 34 -10.491 -9.188 -7.315 237 H ARG 35 HN ARG 35 -11.224 -12.111 -4.166 238 HA ARG 35 HA ARG 35 -12.690 -11.704 -1.796 239 1HB ARG 35 HB2 ARG 35 -11.795 -14.236 -3.186 240 2HB ARG 35 HB1 ARG 35 -12.789 -14.255 -1.736 241 1HG ARG 35 HG2 ARG 35 -14.404 -12.767 -3.077 242 2HG ARG 35 HG1 ARG 35 -13.483 -13.299 -4.490 243 1HD ARG 35 HD2 ARG 35 -15.050 -14.986 -2.541 244 2HD ARG 35 HD1 ARG 35 -15.321 -14.796 -4.273 245 HE ARG 35 HE ARG 35 -12.890 -15.868 -4.281 246 1HH1 ARG 35 HH11 ARG 35 -15.740 -16.770 -2.461 247 2HH1 ARG 35 HH12 ARG 35 -15.283 -18.436 -2.321 248 1HH2 ARG 35 HH21 ARG 35 -12.277 -18.063 -4.099 249 2HH2 ARG 35 HH22 ARG 35 -13.295 -19.177 -3.245 250 H TYR 36 HN TYR 36 -9.494 -13.065 -2.397 251 HA TYR 36 HA TYR 36 -8.863 -14.071 0.102 252 1HB TYR 36 HB2 TYR 36 -7.362 -14.444 -1.731 253 2HB TYR 36 HB1 TYR 36 -7.123 -12.717 -1.971 254 HD1 TYR 36 HD1 TYR 36 -6.430 -15.519 0.375 255 HD2 TYR 36 HD2 TYR 36 -5.408 -11.561 -0.822 256 HE1 TYR 36 HE1 TYR 36 -4.458 -15.586 1.842 257 HE2 TYR 36 HE2 TYR 36 -3.438 -11.621 0.640 258 HH TYR 36 HH TYR 36 -2.635 -12.790 2.594 259 H ALA 37 HN ALA 37 -8.492 -10.755 -1.106 260 HA ALA 37 HA ALA 37 -7.335 -9.668 1.218 261 1HB ALA 37 HB1 ALA 37 -7.274 -8.527 -0.947 262 2HB ALA 37 HB2 ALA 37 -7.962 -7.490 0.302 263 3HB ALA 37 HB3 ALA 37 -9.018 -8.278 -0.871 264 H ALA 38 HN ALA 38 -10.673 -10.205 0.253 265 HA ALA 38 HA ALA 38 -11.954 -8.701 2.248 266 1HB ALA 38 HB1 ALA 38 -12.919 -11.236 0.916 267 2HB ALA 38 HB2 ALA 38 -13.141 -9.598 0.302 268 3HB ALA 38 HB3 ALA 38 -13.920 -10.087 1.807 269 H TYR 39 HN TYR 39 -10.811 -12.058 2.215 270 HA TYR 39 HA TYR 39 -11.716 -12.701 4.825 271 1HB TYR 39 HB2 TYR 39 -10.267 -14.026 2.730 272 2HB TYR 39 HB1 TYR 39 -9.368 -14.227 4.230 273 HD1 TYR 39 HD2 TYR 39 -12.727 -14.687 2.710 274 HD2 TYR 39 HD1 TYR 39 -10.071 -15.802 5.842 275 HE1 TYR 39 HE2 TYR 39 -14.276 -16.479 3.380 276 HE2 TYR 39 HE1 TYR 39 -11.612 -17.590 6.523 277 HH TYR 39 HH TYR 39 -13.927 -18.194 6.332 278 H ALA 40 HN ALA 40 -8.741 -11.310 3.566 279 HA ALA 40 HA ALA 40 -7.274 -11.309 5.990 280 1HB ALA 40 HB1 ALA 40 -7.014 -9.451 3.616 281 2HB ALA 40 HB2 ALA 40 -6.213 -11.012 3.795 282 3HB ALA 40 HB3 ALA 40 -5.812 -9.687 4.887 283 H LEU 41 HN LEU 41 -9.779 -9.280 4.720 284 HA LEU 41 HA LEU 41 -9.449 -7.307 6.875 285 1HB LEU 41 HB2 LEU 41 -11.324 -7.316 4.496 286 2HB LEU 41 HB1 LEU 41 -11.148 -6.008 5.651 287 HG LEU 41 HG LEU 41 -9.023 -6.962 3.720 288 1HD1 LEU 41 HD11 LEU 41 -10.673 -4.434 3.757 289 2HD1 LEU 41 HD12 LEU 41 -10.824 -5.765 2.608 290 3HD1 LEU 41 HD13 LEU 41 -9.355 -4.790 2.640 291 1HD2 LEU 41 HD21 LEU 41 -7.731 -5.025 4.486 292 2HD2 LEU 41 HD22 LEU 41 -8.025 -6.165 5.798 293 3HD2 LEU 41 HD23 LEU 41 -8.966 -4.676 5.696 294 H LYS 42 HN LYS 42 -10.508 -10.169 6.992 295 HA LYS 42 HA LYS 42 -12.229 -11.431 7.715 296 1HB LYS 42 HB2 LYS 42 -13.160 -10.814 9.909 297 2HB LYS 42 HB1 LYS 42 -11.416 -10.680 9.845 298 1HG LYS 42 HG2 LYS 42 -13.019 -8.214 9.378 299 2HG LYS 42 HG1 LYS 42 -12.943 -8.858 11.016 300 1HD LYS 42 HD2 LYS 42 -10.557 -8.145 9.297 301 2HD LYS 42 HD1 LYS 42 -11.211 -7.155 10.601 302 1HE LYS 42 HE2 LYS 42 -10.088 -9.943 10.917 303 2HE LYS 42 HE1 LYS 42 -9.232 -8.451 11.299 304 1HZ LYS 42 HZ1 LYS 42 -10.850 -7.964 12.996 305 2HZ LYS 42 HZ2 LYS 42 -10.215 -9.513 13.257 306 3HZ LYS 42 HZ3 LYS 42 -11.756 -9.336 12.590 307 H ASP 43 HN ASP 43 -12.955 -9.314 5.714 308 HA ASP 43 HA ASP 43 -15.799 -8.966 6.221 309 1HB ASP 43 HB2 ASP 43 -13.865 -7.913 4.212 310 2HB ASP 43 HB1 ASP 43 -15.525 -8.116 3.667 311 H PHE 44 HN PHE 44 -15.648 -11.489 6.366 312 HA PHE 44 HA PHE 44 -15.601 -12.991 3.977 313 1HB PHE 44 HB2 PHE 44 -16.816 -14.742 5.300 314 2HB PHE 44 HB1 PHE 44 -15.344 -14.154 6.061 315 HD1 PHE 44 HD1 PHE 44 -19.039 -14.023 6.179 316 HD2 PHE 44 HD2 PHE 44 -15.395 -13.092 8.186 317 HE1 PHE 44 HE1 PHE 44 -20.294 -13.558 8.241 318 HE2 PHE 44 HE2 PHE 44 -16.651 -12.625 10.249 319 HZ PHE 44 HZ PHE 44 -19.102 -12.858 10.279 320 H ASP 45 HN ASP 45 -17.884 -10.845 5.279 321 HA ASP 45 HA ASP 45 -20.297 -11.593 4.174 322 1HB ASP 45 HB2 ASP 45 -20.227 -9.652 5.549 323 2HB ASP 45 HB1 ASP 45 -19.017 -8.880 4.531 324 H TYR 46 HN TYR 46 -17.520 -10.058 2.574 325 HA TYR 46 HA TYR 46 -18.859 -9.722 0.078 326 1HB TYR 46 HB2 TYR 46 -16.921 -8.342 0.555 327 2HB TYR 46 HB1 TYR 46 -15.892 -9.761 0.715 328 HD1 TYR 46 HD1 TYR 46 -18.226 -8.245 -1.786 329 HD2 TYR 46 HD2 TYR 46 -14.561 -10.310 -1.114 330 HE1 TYR 46 HE1 TYR 46 -17.740 -8.156 -4.189 331 HE2 TYR 46 HE2 TYR 46 -14.066 -10.220 -3.522 332 HH TYR 46 HH TYR 46 -15.932 -8.302 -5.703 333 H ILE 47 HN ILE 47 -17.058 -12.315 1.557 334 HA ILE 47 HA ILE 47 -16.441 -13.800 -0.763 335 HB ILE 47 HB ILE 47 -16.957 -14.911 2.006 336 1HG1 ILE 47 HG12 ILE 47 -15.324 -13.078 2.100 337 2HG1 ILE 47 HG11 ILE 47 -14.544 -14.627 2.394 338 1HG2 ILE 47 HG21 ILE 47 -15.305 -15.980 -0.292 339 2HG2 ILE 47 HG22 ILE 47 -16.846 -16.626 0.272 340 3HG2 ILE 47 HG23 ILE 47 -15.423 -16.706 1.312 341 1HD1 ILE 47 HD11 ILE 47 -13.708 -14.644 0.110 342 2HD1 ILE 47 HD12 ILE 47 -13.193 -13.198 0.980 343 3HD1 ILE 47 HD13 ILE 47 -14.504 -13.100 -0.196 344 H VAL 48 HN VAL 48 -19.139 -14.034 1.539 345 HA VAL 48 HA VAL 48 -20.484 -16.123 0.190 346 HB VAL 48 HB VAL 48 -20.906 -15.544 2.561 347 1HG1 VAL 48 HG11 VAL 48 -22.378 -13.676 3.142 348 2HG1 VAL 48 HG12 VAL 48 -22.360 -13.139 1.462 349 3HG1 VAL 48 HG13 VAL 48 -20.874 -13.119 2.410 350 1HG2 VAL 48 HG21 VAL 48 -22.518 -16.901 1.348 351 2HG2 VAL 48 HG22 VAL 48 -23.362 -15.448 0.811 352 3HG2 VAL 48 HG23 VAL 48 -23.334 -15.869 2.524 353 H GLU 49 HN GLU 49 -20.579 -12.621 -0.089 354 HA GLU 49 HA GLU 49 -22.754 -12.356 -1.850 355 1HB GLU 49 HB2 GLU 49 -20.299 -10.693 -1.327 356 2HB GLU 49 HB1 GLU 49 -21.437 -10.238 -2.586 357 1HG GLU 49 HG2 GLU 49 -22.134 -10.605 0.323 358 2HG GLU 49 HG1 GLU 49 -21.821 -9.058 -0.464 359 H THR 50 HN THR 50 -19.531 -13.499 -2.377 360 HA THR 50 HA THR 50 -19.924 -13.396 -5.296 361 HB THR 50 HB THR 50 -17.391 -13.868 -5.331 362 HG1 THR 50 HG1 THR 50 -17.573 -12.812 -2.691 363 1HG2 THR 50 HG21 THR 50 -16.853 -11.492 -5.077 364 2HG2 THR 50 HG22 THR 50 -18.383 -11.225 -4.242 365 3HG2 THR 50 HG23 THR 50 -18.376 -11.703 -5.940 366 H THR 51 HN THR 51 -20.922 -15.407 -3.271 367 HA THR 51 HA THR 51 -19.617 -17.822 -4.317 368 HB THR 51 HB THR 51 -21.737 -17.597 -2.161 369 HG1 THR 51 HG1 THR 51 -19.505 -16.706 -1.780 370 1HG2 THR 51 HG21 THR 51 -19.948 -19.922 -2.915 371 2HG2 THR 51 HG22 THR 51 -21.651 -19.787 -3.352 372 3HG2 THR 51 HG23 THR 51 -21.181 -19.910 -1.653 373 H ASP 52 HN ASP 52 -20.814 -19.436 -5.350 374 HA ASP 52 HA ASP 52 -22.701 -18.751 -7.250 375 1HB ASP 52 HB2 ASP 52 -21.293 -20.845 -7.118 376 2HB ASP 52 HB1 ASP 52 -22.417 -21.449 -5.919 377 HA PRO 53 HA PRO 53 -26.476 -18.017 -5.020 378 1HB PRO 53 HB2 PRO 53 -28.213 -19.132 -6.931 379 2HB PRO 53 HB1 PRO 53 -27.665 -17.455 -6.874 380 1HG PRO 53 HG2 PRO 53 -26.633 -19.734 -8.505 381 2HG PRO 53 HG1 PRO 53 -26.796 -18.021 -8.940 382 1HD PRO 53 HD2 PRO 53 -24.411 -19.070 -8.338 383 2HD PRO 53 HD1 PRO 53 -24.837 -17.427 -7.815 384 H GLU 54 HN GLU 54 -25.865 -21.198 -6.428 385 HA GLU 54 HA GLU 54 -27.797 -22.542 -4.760 386 1HB GLU 54 HB2 GLU 54 -25.573 -23.628 -6.507 387 2HB GLU 54 HB1 GLU 54 -26.796 -24.612 -5.711 388 1HG GLU 54 HG2 GLU 54 -28.542 -23.583 -7.021 389 2HG GLU 54 HG1 GLU 54 -27.385 -22.468 -7.745 390 H ARG 55 HN ARG 55 -24.264 -22.242 -4.857 391 HA ARG 55 HA ARG 55 -23.805 -24.038 -2.682 392 1HB ARG 55 HB2 ARG 55 -21.906 -21.893 -3.642 393 2HB ARG 55 HB1 ARG 55 -21.504 -23.396 -2.825 394 1HG ARG 55 HG2 ARG 55 -22.662 -23.185 -5.594 395 2HG ARG 55 HG1 ARG 55 -20.958 -23.401 -5.223 396 1HD ARG 55 HD2 ARG 55 -21.525 -25.544 -4.098 397 2HD ARG 55 HD1 ARG 55 -23.202 -25.330 -4.615 398 HE ARG 55 HE ARG 55 -22.128 -25.196 -6.955 399 1HH1 ARG 55 HH11 ARG 55 -21.153 -27.364 -4.386 400 2HH1 ARG 55 HH12 ARG 55 -20.333 -28.457 -5.454 401 1HH2 ARG 55 HH21 ARG 55 -21.066 -26.626 -8.357 402 2HH2 ARG 55 HH22 ARG 55 -20.260 -28.025 -7.717 403 H ARG 56 HN ARG 56 -24.530 -20.658 -2.927 404 HA ARG 56 HA ARG 56 -23.368 -19.701 -0.568 405 1HB ARG 56 HB2 ARG 56 -24.228 -18.189 -2.277 406 2HB ARG 56 HB1 ARG 56 -25.873 -18.745 -1.980 407 1HG ARG 56 HG2 ARG 56 -25.886 -17.775 0.206 408 2HG ARG 56 HG1 ARG 56 -24.164 -17.408 0.111 409 1HD ARG 56 HD2 ARG 56 -24.609 -15.824 -1.709 410 2HD ARG 56 HD1 ARG 56 -26.335 -16.186 -1.599 411 HE ARG 56 HE ARG 56 -25.854 -15.425 0.891 412 1HH1 ARG 56 HH11 ARG 56 -24.821 -13.937 -2.116 413 2HH1 ARG 56 HH12 ARG 56 -24.708 -12.350 -1.419 414 1HH2 ARG 56 HH21 ARG 56 -25.695 -13.347 1.782 415 2HH2 ARG 56 HH22 ARG 56 -25.194 -12.014 0.786 416 H ASP 57 HN ASP 57 -26.248 -21.561 -1.094 417 HA ASP 57 HA ASP 57 -27.594 -21.111 1.323 418 1HB ASP 57 HB2 ASP 57 -28.572 -22.345 -0.581 419 2HB ASP 57 HB1 ASP 57 -27.444 -23.668 -0.306 420 H LEU 58 HN LEU 58 -24.823 -23.073 0.526 421 HA LEU 58 HA LEU 58 -24.756 -24.493 3.038 422 1HB LEU 58 HB2 LEU 58 -22.612 -24.236 0.917 423 2HB LEU 58 HB1 LEU 58 -22.643 -25.407 2.222 424 HG LEU 58 HG LEU 58 -24.613 -25.290 -0.072 425 1HD1 LEU 58 HD11 LEU 58 -22.391 -26.006 -0.790 426 2HD1 LEU 58 HD12 LEU 58 -23.540 -27.344 -0.837 427 3HD1 LEU 58 HD13 LEU 58 -22.368 -27.234 0.477 428 1HD2 LEU 58 HD21 LEU 58 -25.644 -26.153 1.960 429 2HD2 LEU 58 HD22 LEU 58 -24.321 -27.303 2.160 430 3HD2 LEU 58 HD23 LEU 58 -25.411 -27.443 0.779 431 H PHE 59 HN PHE 59 -23.660 -21.468 1.861 432 HA PHE 59 HA PHE 59 -21.353 -21.179 3.508 433 1HB PHE 59 HB2 PHE 59 -22.826 -19.521 1.576 434 2HB PHE 59 HB1 PHE 59 -22.113 -18.597 2.893 435 HD1 PHE 59 HD1 PHE 59 -21.048 -21.500 0.770 436 HD2 PHE 59 HD2 PHE 59 -20.096 -17.664 2.362 437 HE1 PHE 59 HE1 PHE 59 -18.855 -21.582 -0.343 438 HE2 PHE 59 HE2 PHE 59 -17.906 -17.743 1.254 439 HZ PHE 59 HZ PHE 59 -17.280 -19.703 -0.102 440 H ASP 60 HN ASP 60 -21.280 -20.855 5.586 441 HA ASP 60 HA ASP 60 -23.483 -19.433 6.936 442 1HB ASP 60 HB2 ASP 60 -23.487 -21.756 7.636 443 2HB ASP 60 HB1 ASP 60 -21.757 -21.705 7.959 444 H HIS 61 HN HIS 61 -22.923 -17.859 8.419 445 HA HIS 61 HA HIS 61 -20.545 -16.460 7.799 446 1HB HIS 61 HB2 HIS 61 -22.520 -16.013 10.050 447 2HB HIS 61 HB1 HIS 61 -21.261 -14.877 9.575 448 HD1 HIS 61 HD1 HIS 61 -24.507 -14.568 9.448 449 HD2 HIS 61 HD2 HIS 61 -21.852 -15.079 6.288 450 HE1 HIS 61 HE1 HIS 61 -25.665 -13.620 7.430 451 HE2 HIS 61 HE2 HIS 61 -23.956 -13.749 5.589 452 H ASP 62 HN ASP 62 -21.476 -18.418 10.605 453 HA ASP 62 HA ASP 62 -19.218 -17.750 12.198 454 1HB ASP 62 HB2 ASP 62 -21.093 -20.123 12.292 455 2HB ASP 62 HB1 ASP 62 -19.820 -19.847 13.477 456 H VAL 63 HN VAL 63 -19.885 -20.317 9.884 457 HA VAL 63 HA VAL 63 -17.529 -21.819 10.315 458 HB VAL 63 HB VAL 63 -19.139 -21.553 7.756 459 1HG1 VAL 63 HG11 VAL 63 -16.929 -22.500 7.350 460 2HG1 VAL 63 HG12 VAL 63 -18.172 -23.738 7.175 461 3HG1 VAL 63 HG13 VAL 63 -17.182 -23.683 8.634 462 1HG2 VAL 63 HG21 VAL 63 -20.270 -23.606 8.485 463 2HG2 VAL 63 HG22 VAL 63 -20.521 -22.293 9.635 464 3HG2 VAL 63 HG23 VAL 63 -19.363 -23.573 9.998 465 H ASN 64 HN ASN 64 -18.314 -19.239 7.996 466 HA ASN 64 HA ASN 64 -15.833 -19.049 6.718 467 1HB ASN 64 HB2 ASN 64 -17.904 -16.914 7.308 468 2HB ASN 64 HB1 ASN 64 -16.489 -16.631 6.300 469 1HD2 ASN 64 HD21 ASN 64 -16.491 -19.210 5.033 470 2HD2 ASN 64 HD22 ASN 64 -17.843 -19.239 3.960 471 H ARG 65 HN ARG 65 -17.023 -17.582 9.686 472 HA ARG 65 HA ARG 65 -14.774 -16.004 10.301 473 1HB ARG 65 HB2 ARG 65 -16.939 -15.699 11.395 474 2HB ARG 65 HB1 ARG 65 -16.825 -17.295 12.119 475 1HG ARG 65 HG2 ARG 65 -14.914 -16.564 13.459 476 2HG ARG 65 HG1 ARG 65 -15.001 -14.963 12.716 477 1HD ARG 65 HD2 ARG 65 -17.249 -14.654 13.629 478 2HD ARG 65 HD1 ARG 65 -17.187 -16.262 14.348 479 HE ARG 65 HE ARG 65 -14.998 -14.850 15.319 480 1HH1 ARG 65 HH11 ARG 65 -18.491 -14.628 15.450 481 2HH1 ARG 65 HH12 ARG 65 -18.513 -13.897 17.024 482 1HH2 ARG 65 HH21 ARG 65 -15.023 -13.886 17.388 483 2HH2 ARG 65 HH22 ARG 65 -16.540 -13.488 18.131 484 H ALA 66 HN ALA 66 -15.630 -19.338 11.162 485 HA ALA 66 HA ALA 66 -13.652 -19.854 13.032 486 1HB ALA 66 HB1 ALA 66 -14.020 -22.218 12.568 487 2HB ALA 66 HB2 ALA 66 -14.837 -21.809 11.058 488 3HB ALA 66 HB3 ALA 66 -15.552 -21.344 12.602 489 H TRP 67 HN TRP 67 -13.504 -20.193 9.498 490 HA TRP 67 HA TRP 67 -10.961 -21.431 9.459 491 1HB TRP 67 HB2 TRP 67 -12.607 -21.503 7.569 492 2HB TRP 67 HB1 TRP 67 -12.212 -19.822 7.218 493 HD1 TRP 67 HD1 TRP 67 -9.554 -22.456 8.132 494 HE1 TRP 67 HE1 TRP 67 -7.982 -22.773 6.123 495 HE3 TRP 67 HE3 TRP 67 -12.026 -19.572 4.706 496 HZ2 TRP 67 HZ2 TRP 67 -7.811 -21.918 3.440 497 HZ3 TRP 67 HZ3 TRP 67 -11.093 -19.377 2.438 498 HH2 TRP 67 HH2 TRP 67 -9.027 -20.527 1.818 499 H MET 68 HN MET 68 -11.945 -18.018 9.154 500 HA MET 68 HA MET 68 -9.286 -17.100 8.637 501 1HB MET 68 HB2 MET 68 -10.127 -14.877 8.822 502 2HB MET 68 HB1 MET 68 -11.374 -15.824 8.028 503 1HG MET 68 HG2 MET 68 -12.632 -15.953 10.097 504 2HG MET 68 HG1 MET 68 -11.361 -15.075 10.946 505 1HE MET 68 HE1 MET 68 -14.370 -14.143 11.110 506 2HE MET 68 HE2 MET 68 -14.206 -12.406 10.855 507 3HE MET 68 HE3 MET 68 -13.041 -13.261 11.865 508 H GLU 69 HN GLU 69 -10.994 -18.010 11.464 509 HA GLU 69 HA GLU 69 -9.333 -16.581 13.327 510 1HB GLU 69 HB2 GLU 69 -11.240 -18.902 13.718 511 2HB GLU 69 HB1 GLU 69 -10.426 -18.054 15.026 512 1HG GLU 69 HG2 GLU 69 -12.358 -16.808 13.076 513 2HG GLU 69 HG1 GLU 69 -12.745 -17.307 14.719 514 H GLU 70 HN GLU 70 -9.482 -19.890 12.051 515 HA GLU 70 HA GLU 70 -7.220 -20.747 13.639 516 1HB GLU 70 HB2 GLU 70 -7.455 -22.889 12.478 517 2HB GLU 70 HB1 GLU 70 -9.004 -22.343 13.105 518 1HG GLU 70 HG2 GLU 70 -9.745 -21.694 10.931 519 2HG GLU 70 HG1 GLU 70 -8.140 -21.941 10.248 520 H SER 71 HN SER 71 -7.531 -18.972 10.824 521 HA SER 71 HA SER 71 -4.762 -19.539 10.084 522 1HB SER 71 HB2 SER 71 -7.075 -19.648 8.128 523 2HB SER 71 HB1 SER 71 -5.370 -19.687 7.677 524 HG SER 71 HG SER 71 -5.828 -21.525 9.570 525 H ASP 72 HN ASP 72 -3.915 -17.597 10.501 526 HA ASP 72 HA ASP 72 -5.146 -15.141 9.539 527 1HB ASP 72 HB2 ASP 72 -2.520 -15.716 10.942 528 2HB ASP 72 HB1 ASP 72 -2.967 -14.111 10.375 529 H PHE 73 HN PHE 73 -5.011 -14.720 7.410 530 HA PHE 73 HA PHE 73 -3.163 -16.111 5.733 531 1HB PHE 73 HB2 PHE 73 -5.124 -13.882 5.142 532 2HB PHE 73 HB1 PHE 73 -4.172 -14.704 3.908 533 HD1 PHE 73 HD1 PHE 73 -6.890 -15.089 6.359 534 HD2 PHE 73 HD2 PHE 73 -4.716 -16.931 3.194 535 HE1 PHE 73 HE1 PHE 73 -8.593 -16.857 6.222 536 HE2 PHE 73 HE2 PHE 73 -6.420 -18.700 3.051 537 HZ PHE 73 HZ PHE 73 -8.360 -18.665 4.566 538 H LEU 74 HN LEU 74 -1.112 -15.621 5.429 539 HA LEU 74 HA LEU 74 -0.109 -12.948 6.006 540 1HB LEU 74 HB2 LEU 74 1.193 -15.610 5.512 541 2HB LEU 74 HB1 LEU 74 2.134 -14.140 5.369 542 HG LEU 74 HG LEU 74 1.563 -13.585 7.732 543 1HD1 LEU 74 HD11 LEU 74 0.361 -16.348 7.768 544 2HD1 LEU 74 HD12 LEU 74 -0.511 -14.826 7.949 545 3HD1 LEU 74 HD13 LEU 74 0.648 -15.329 9.179 546 1HD2 LEU 74 HD21 LEU 74 3.673 -14.657 7.210 547 2HD2 LEU 74 HD22 LEU 74 2.914 -16.247 7.285 548 3HD2 LEU 74 HD23 LEU 74 3.047 -15.263 8.744 549 H GLU 75 HN GLU 75 -0.095 -15.245 3.268 550 HA GLU 75 HA GLU 75 -0.117 -13.071 1.376 551 1HB GLU 75 HB2 GLU 75 2.303 -13.258 1.996 552 2HB GLU 75 HB1 GLU 75 2.289 -14.915 1.409 553 1HG GLU 75 HG2 GLU 75 1.734 -14.122 -0.838 554 2HG GLU 75 HG1 GLU 75 1.726 -12.459 -0.252 555 H LEU 76 HN LEU 76 -0.595 -13.739 -0.734 556 HA LEU 76 HA LEU 76 -1.636 -16.484 -0.942 557 1HB LEU 76 HB2 LEU 76 -3.214 -14.554 -1.239 558 2HB LEU 76 HB1 LEU 76 -2.285 -14.064 -2.644 559 HG LEU 76 HG LEU 76 -2.838 -16.263 -3.709 560 1HD1 LEU 76 HD11 LEU 76 -4.675 -17.585 -2.759 561 2HD1 LEU 76 HD12 LEU 76 -4.668 -16.557 -1.325 562 3HD1 LEU 76 HD13 LEU 76 -3.265 -17.559 -1.700 563 1HD2 LEU 76 HD21 LEU 76 -5.155 -15.677 -4.261 564 2HD2 LEU 76 HD22 LEU 76 -4.112 -14.256 -4.260 565 3HD2 LEU 76 HD23 LEU 76 -5.197 -14.553 -2.901 566 H ARG 77 HN ARG 77 -1.106 -17.762 -2.728 567 HA ARG 77 HA ARG 77 0.964 -16.725 -4.553 568 1HB ARG 77 HB2 ARG 77 2.021 -18.127 -2.808 569 2HB ARG 77 HB1 ARG 77 0.940 -19.452 -3.222 570 1HG ARG 77 HG2 ARG 77 1.925 -19.464 -5.509 571 2HG ARG 77 HG1 ARG 77 3.083 -18.247 -4.968 572 1HD ARG 77 HD2 ARG 77 2.760 -21.050 -3.891 573 2HD ARG 77 HD1 ARG 77 4.096 -20.443 -4.868 574 HE ARG 77 HE ARG 77 3.622 -19.959 -2.034 575 1HH1 ARG 77 HH11 ARG 77 5.486 -19.149 -4.889 576 2HH1 ARG 77 HH12 ARG 77 6.818 -18.504 -3.985 577 1HH2 ARG 77 HH21 ARG 77 5.366 -19.123 -0.847 578 2HH2 ARG 77 HH22 ARG 77 6.745 -18.474 -1.678 579 H VAL 78 HN VAL 78 -0.296 -16.555 -6.358 580 HA VAL 78 HA VAL 78 -2.229 -18.609 -7.037 581 HB VAL 78 HB VAL 78 -1.372 -16.140 -8.567 582 1HG1 VAL 78 HG11 VAL 78 -3.714 -17.997 -9.036 583 2HG1 VAL 78 HG12 VAL 78 -2.299 -17.820 -10.074 584 3HG1 VAL 78 HG13 VAL 78 -3.428 -16.478 -9.887 585 1HG2 VAL 78 HG21 VAL 78 -2.425 -15.585 -6.438 586 2HG2 VAL 78 HG22 VAL 78 -3.798 -16.623 -6.828 587 3HG2 VAL 78 HG23 VAL 78 -3.491 -15.171 -7.781 588 H LEU 79 HN LEU 79 -1.879 -20.286 -8.373 589 HA LEU 79 HA LEU 79 0.766 -20.484 -9.647 590 1HB LEU 79 HB2 LEU 79 -1.212 -22.681 -9.004 591 2HB LEU 79 HB1 LEU 79 0.410 -22.902 -9.633 592 HG LEU 79 HG LEU 79 -0.317 -21.839 -6.896 593 1HD1 LEU 79 HD11 LEU 79 0.734 -23.888 -6.083 594 2HD1 LEU 79 HD12 LEU 79 0.996 -24.418 -7.745 595 3HD1 LEU 79 HD13 LEU 79 -0.646 -24.238 -7.124 596 1HD2 LEU 79 HD21 LEU 79 2.094 -21.864 -6.441 597 2HD2 LEU 79 HD22 LEU 79 1.684 -20.723 -7.720 598 3HD2 LEU 79 HD23 LEU 79 2.407 -22.280 -8.127 599 H GLY 80 HN GLY 80 -2.600 -21.508 -10.260 600 1HA GLY 80 HA2 GLY 80 -2.182 -20.943 -13.122 601 2HA GLY 80 HA1 GLY 80 -2.784 -22.517 -12.623 602 H SER 81 HN SER 81 -4.071 -20.578 -14.322 603 HA SER 81 HA SER 81 -6.649 -20.539 -13.035 604 1HB SER 81 HB2 SER 81 -6.916 -18.034 -13.592 605 2HB SER 81 HB1 SER 81 -5.951 -18.440 -12.173 606 HG SER 81 HG SER 81 -4.938 -16.875 -13.523 607 H SER 82 HN SER 82 -8.297 -20.621 -14.523 608 HA SER 82 HA SER 82 -7.748 -20.106 -17.336 609 1HB SER 82 HB2 SER 82 -8.608 -22.858 -16.383 610 2HB SER 82 HB1 SER 82 -8.310 -22.366 -18.051 611 HG SER 82 HG SER 82 -6.104 -21.917 -17.343 612 H GLU 83 HN GLU 83 -9.490 -19.089 -18.133 613 HA GLU 83 HA GLU 83 -12.155 -19.673 -17.044 614 1HB GLU 83 HB2 GLU 83 -11.676 -17.298 -17.269 615 2HB GLU 83 HB1 GLU 83 -11.208 -17.511 -18.954 616 1HG GLU 83 HG2 GLU 83 -13.498 -18.159 -19.517 617 2HG GLU 83 HG1 GLU 83 -13.975 -17.967 -17.837 618 H LYS 84 HN LYS 84 -13.287 -21.231 -18.017 619 HA LYS 84 HA LYS 84 -12.807 -21.741 -20.882 620 1HB LYS 84 HB2 LYS 84 -13.957 -23.695 -18.874 621 2HB LYS 84 HB1 LYS 84 -13.452 -24.033 -20.523 622 1HG LYS 84 HG2 LYS 84 -11.653 -23.292 -18.219 623 2HG LYS 84 HG1 LYS 84 -11.826 -24.889 -18.947 624 1HD LYS 84 HD2 LYS 84 -10.815 -22.429 -20.376 625 2HD LYS 84 HD1 LYS 84 -9.793 -23.695 -19.702 626 1HE LYS 84 HE2 LYS 84 -10.793 -25.324 -21.224 627 2HE LYS 84 HE1 LYS 84 -11.859 -24.078 -21.874 628 1HZ LYS 84 HZ1 LYS 84 -9.842 -22.858 -22.573 629 2HZ LYS 84 HZ2 LYS 84 -10.014 -24.354 -23.339 630 3HZ LYS 84 HZ3 LYS 84 -8.899 -24.176 -22.082 631 H GLY 85 HN GLY 85 -14.290 -20.088 -21.458 632 1HA GLY 85 HA2 GLY 85 -16.329 -19.503 -22.346 633 2HA GLY 85 HA1 GLY 85 -16.956 -21.061 -21.832 634 H SER 86 HN SER 86 -17.908 -21.263 -19.792 635 HA SER 86 HA SER 86 -18.473 -18.729 -18.387 636 1HB SER 86 HB2 SER 86 -20.484 -20.930 -18.959 637 2HB SER 86 HB1 SER 86 -20.806 -19.396 -18.146 638 HG SER 86 HG SER 86 -19.686 -18.746 -20.410 639 H ARG 87 HN ARG 87 -16.837 -21.385 -18.067 640 HA ARG 87 HA ARG 87 -17.338 -21.595 -15.186 641 1HB ARG 87 HB2 ARG 87 -18.436 -23.502 -16.516 642 2HB ARG 87 HB1 ARG 87 -16.810 -24.028 -16.915 643 1HG ARG 87 HG2 ARG 87 -17.702 -23.692 -14.064 644 2HG ARG 87 HG1 ARG 87 -18.023 -25.168 -14.970 645 1HD ARG 87 HD2 ARG 87 -15.561 -25.350 -15.395 646 2HD ARG 87 HD1 ARG 87 -15.328 -23.980 -14.307 647 HE ARG 87 HE ARG 87 -16.691 -25.599 -12.722 648 1HH1 ARG 87 HH11 ARG 87 -14.022 -26.354 -14.868 649 2HH1 ARG 87 HH12 ARG 87 -13.486 -27.699 -13.918 650 1HH2 ARG 87 HH21 ARG 87 -15.992 -27.368 -11.489 651 2HH2 ARG 87 HH22 ARG 87 -14.602 -28.277 -11.993 652 H GLY 88 HN GLY 88 -15.432 -21.626 -14.032 653 1HA GLY 88 HA2 GLY 88 -12.933 -21.930 -15.569 654 2HA GLY 88 HA1 GLY 88 -13.216 -20.454 -14.659 655 H THR 89 HN THR 89 -11.010 -21.772 -14.100 656 HA THR 89 HA THR 89 -11.463 -22.696 -11.377 657 HB THR 89 HB THR 89 -9.890 -24.351 -13.384 658 HG1 THR 89 HG1 THR 89 -12.517 -24.384 -12.646 659 1HG2 THR 89 HG21 THR 89 -10.505 -24.864 -10.463 660 2HG2 THR 89 HG22 THR 89 -8.927 -24.437 -11.126 661 3HG2 THR 89 HG23 THR 89 -9.675 -25.976 -11.553 662 H VAL 90 HN VAL 90 -9.733 -22.236 -10.027 663 HA VAL 90 HA VAL 90 -7.213 -21.363 -11.231 664 HB VAL 90 HB VAL 90 -8.346 -19.264 -10.898 665 1HG1 VAL 90 HG11 VAL 90 -9.201 -18.520 -8.740 666 2HG1 VAL 90 HG12 VAL 90 -8.811 -20.090 -8.032 667 3HG1 VAL 90 HG13 VAL 90 -10.041 -19.970 -9.292 668 1HG2 VAL 90 HG21 VAL 90 -6.333 -19.712 -8.686 669 2HG2 VAL 90 HG22 VAL 90 -6.836 -18.141 -9.312 670 3HG2 VAL 90 HG23 VAL 90 -5.973 -19.270 -10.356 671 H GLU 91 HN GLU 91 -5.546 -22.237 -10.267 672 HA GLU 91 HA GLU 91 -5.900 -23.549 -7.656 673 1HB GLU 91 HB2 GLU 91 -5.252 -24.991 -9.580 674 2HB GLU 91 HB1 GLU 91 -3.797 -24.024 -9.790 675 1HG GLU 91 HG2 GLU 91 -3.103 -24.669 -7.492 676 2HG GLU 91 HG1 GLU 91 -4.504 -25.738 -7.414 677 H PHE 92 HN PHE 92 -4.477 -23.100 -5.980 678 HA PHE 92 HA PHE 92 -2.295 -21.247 -6.348 679 1HB PHE 92 HB2 PHE 92 -3.253 -19.495 -4.885 680 2HB PHE 92 HB1 PHE 92 -4.175 -19.691 -6.371 681 HD1 PHE 92 HD2 PHE 92 -6.333 -21.018 -6.291 682 HD2 PHE 92 HD1 PHE 92 -4.287 -19.726 -2.780 683 HE1 PHE 92 HE2 PHE 92 -8.387 -21.336 -4.979 684 HE2 PHE 92 HE1 PHE 92 -6.344 -20.042 -1.468 685 HZ PHE 92 HZ PHE 92 -8.395 -20.847 -2.566 686 H ILE 93 HN ILE 93 -1.677 -20.439 -3.990 687 HA ILE 93 HA ILE 93 -1.982 -22.603 -2.034 688 HB ILE 93 HB ILE 93 0.637 -21.283 -2.819 689 1HG1 ILE 93 HG12 ILE 93 -0.161 -24.209 -2.835 690 2HG1 ILE 93 HG11 ILE 93 -0.117 -23.184 -4.261 691 1HG2 ILE 93 HG21 ILE 93 1.671 -22.633 -1.035 692 2HG2 ILE 93 HG22 ILE 93 0.071 -23.177 -0.530 693 3HG2 ILE 93 HG23 ILE 93 0.506 -21.474 -0.395 694 1HD1 ILE 93 HD11 ILE 93 2.238 -23.918 -2.535 695 2HD1 ILE 93 HD12 ILE 93 2.291 -22.881 -3.961 696 3HD1 ILE 93 HD13 ILE 93 1.854 -24.582 -4.123 697 H ALA 94 HN ALA 94 -2.891 -21.711 -0.307 698 HA ALA 94 HA ALA 94 -2.521 -18.869 0.267 699 1HB ALA 94 HB1 ALA 94 -4.289 -19.181 1.926 700 2HB ALA 94 HB2 ALA 94 -4.276 -20.920 1.630 701 3HB ALA 94 HB3 ALA 94 -4.787 -19.814 0.356 702 H ARG 95 HN ARG 95 -0.794 -18.299 1.454 703 HA ARG 95 HA ARG 95 0.251 -20.151 3.474 704 1HB ARG 95 HB2 ARG 95 1.916 -19.121 1.993 705 2HB ARG 95 HB1 ARG 95 1.374 -17.515 2.473 706 1HG ARG 95 HG2 ARG 95 2.072 -17.991 4.792 707 2HG ARG 95 HG1 ARG 95 2.655 -19.574 4.276 708 1HD ARG 95 HD2 ARG 95 4.264 -18.488 2.777 709 2HD ARG 95 HD1 ARG 95 3.672 -16.906 3.288 710 HE ARG 95 HE ARG 95 4.410 -17.717 5.617 711 1HH1 ARG 95 HH11 ARG 95 6.030 -18.576 2.631 712 2HH1 ARG 95 HH12 ARG 95 7.586 -18.735 3.378 713 1HH2 ARG 95 HH21 ARG 95 6.451 -17.931 6.594 714 2HH2 ARG 95 HH22 ARG 95 7.831 -18.367 5.629 715 H PHE 96 HN PHE 96 -0.535 -20.013 5.437 716 HA PHE 96 HA PHE 96 -1.173 -17.394 6.586 717 1HB PHE 96 HB2 PHE 96 -3.257 -18.562 7.607 718 2HB PHE 96 HB1 PHE 96 -3.339 -18.010 5.939 719 HD1 PHE 96 HD1 PHE 96 -2.289 -21.097 7.799 720 HD2 PHE 96 HD2 PHE 96 -4.327 -19.443 4.441 721 HE1 PHE 96 HE1 PHE 96 -2.923 -23.358 7.068 722 HE2 PHE 96 HE2 PHE 96 -4.967 -21.702 3.717 723 HZ PHE 96 HZ PHE 96 -4.266 -23.661 5.031 724 H ARG 97 HN ARG 97 -1.306 -17.441 8.937 725 HA ARG 97 HA ARG 97 0.483 -19.444 10.075 726 1HB ARG 97 HB2 ARG 97 0.671 -16.932 10.557 727 2HB ARG 97 HB1 ARG 97 -0.783 -17.112 11.533 728 1HG ARG 97 HG2 ARG 97 0.397 -18.814 12.899 729 2HG ARG 97 HG1 ARG 97 1.858 -18.503 11.962 730 1HD ARG 97 HD2 ARG 97 2.122 -17.209 13.891 731 2HD ARG 97 HD1 ARG 97 1.580 -16.060 12.670 732 HE ARG 97 HE ARG 97 -0.626 -17.110 14.121 733 1HH1 ARG 97 HH11 ARG 97 1.982 -14.781 14.307 734 2HH1 ARG 97 HH12 ARG 97 1.246 -13.863 15.582 735 1HH2 ARG 97 HH21 ARG 97 -1.605 -15.894 15.798 736 2HH2 ARG 97 HH22 ARG 97 -0.796 -14.498 16.435 737 H ARG 98 HN ARG 98 -0.313 -21.213 11.016 738 HA ARG 98 HA ARG 98 -3.121 -21.602 11.314 739 1HB ARG 98 HB2 ARG 98 -1.492 -23.423 10.762 740 2HB ARG 98 HB1 ARG 98 -0.856 -23.304 12.397 741 1HG ARG 98 HG2 ARG 98 -3.066 -23.926 13.286 742 2HG ARG 98 HG1 ARG 98 -3.671 -24.079 11.637 743 1HD ARG 98 HD2 ARG 98 -1.962 -25.830 11.219 744 2HD ARG 98 HD1 ARG 98 -1.475 -25.717 12.911 745 HE ARG 98 HE ARG 98 -4.131 -26.619 11.977 746 1HH1 ARG 98 HH11 ARG 98 -1.523 -26.687 14.324 747 2HH1 ARG 98 HH12 ARG 98 -2.301 -27.863 15.335 748 1HH2 ARG 98 HH21 ARG 98 -5.126 -28.209 13.294 749 2HH2 ARG 98 HH22 ARG 98 -4.320 -28.745 14.738 750 H GLY 99 HN GLY 99 -4.372 -21.552 13.134 751 1HA GLY 99 HA2 GLY 99 -3.735 -19.808 15.212 752 2HA GLY 99 HA1 GLY 99 -5.054 -20.968 15.242 753 H GLY 100 HN GLY 100 -1.674 -20.453 15.992 754 1HA GLY 100 HA2 GLY 100 -1.557 -21.776 18.381 755 2HA GLY 100 HA1 GLY 100 -1.263 -23.031 17.184 756 H GLY 101 HN GLY 101 0.043 -21.068 15.354 757 1HA GLY 101 HA2 GLY 101 2.076 -19.574 16.109 758 2HA GLY 101 HA1 GLY 101 2.678 -21.133 16.640 759 HA PRO 102 HA PRO 102 4.349 -22.251 12.824 760 1HB PRO 102 HB2 PRO 102 3.056 -24.468 11.853 761 2HB PRO 102 HB1 PRO 102 4.179 -24.499 13.217 762 1HG PRO 102 HG2 PRO 102 1.180 -24.394 13.241 763 2HG PRO 102 HG1 PRO 102 2.272 -25.396 14.220 764 1HD PRO 102 HD2 PRO 102 1.157 -23.166 15.214 765 2HD PRO 102 HD1 PRO 102 2.816 -23.634 15.640 766 H GLU 103 HN GLU 103 4.359 -21.413 10.852 767 HA GLU 103 HA GLU 103 1.964 -20.489 9.553 768 1HB GLU 103 HB2 GLU 103 4.866 -20.566 8.691 769 2HB GLU 103 HB1 GLU 103 3.582 -19.907 7.687 770 1HG GLU 103 HG2 GLU 103 3.150 -18.158 9.243 771 2HG GLU 103 HG1 GLU 103 4.206 -18.889 10.450 772 H GLN 104 HN GLN 104 0.714 -21.683 8.289 773 HA GLN 104 HA GLN 104 1.808 -24.135 7.079 774 1HB GLN 104 HB2 GLN 104 0.052 -24.647 8.651 775 2HB GLN 104 HB1 GLN 104 -1.009 -23.442 7.938 776 1HG GLN 104 HG2 GLN 104 -1.154 -24.759 5.891 777 2HG GLN 104 HG1 GLN 104 -0.055 -25.957 6.573 778 1HE2 GLN 104 HE21 GLN 104 -1.191 -25.872 9.230 779 2HE2 GLN 104 HE22 GLN 104 -2.725 -26.667 9.135 780 H SER 105 HN SER 105 1.515 -24.495 4.944 781 HA SER 105 HA SER 105 0.286 -22.339 3.351 782 1HB SER 105 HB2 SER 105 1.950 -22.983 1.566 783 2HB SER 105 HB1 SER 105 2.686 -22.295 3.014 784 HG SER 105 HG SER 105 2.373 -25.088 2.724 785 H HIS 106 HN HIS 106 -1.568 -23.052 2.525 786 HA HIS 106 HA HIS 106 -1.901 -25.936 2.062 787 1HB HIS 106 HB2 HIS 106 -3.502 -24.608 3.551 788 2HB HIS 106 HB1 HIS 106 -4.078 -23.833 2.080 789 HD1 HIS 106 HD1 HIS 106 -6.134 -24.895 1.226 790 HD2 HIS 106 HD2 HIS 106 -3.691 -27.634 3.172 791 HE1 HIS 106 HE1 HIS 106 -7.380 -27.077 1.162 792 HE2 HIS 106 HE2 HIS 106 -5.972 -28.660 2.530 793 H HIS 107 HN HIS 107 -2.007 -26.712 0.052 794 HA HIS 107 HA HIS 107 -2.185 -24.811 -2.190 795 1HB HIS 107 HB2 HIS 107 -0.143 -26.186 -2.104 796 2HB HIS 107 HB1 HIS 107 -1.113 -27.647 -2.100 797 HD1 HIS 107 HD1 HIS 107 0.414 -28.196 -4.240 798 HD2 HIS 107 HD2 HIS 107 -2.374 -25.155 -4.728 799 HE1 HIS 107 HE1 HIS 107 0.192 -27.879 -6.719 800 HE2 HIS 107 HE2 HIS 107 -1.391 -25.947 -6.988 801 H GLU 108 HN GLU 108 -4.264 -24.604 -2.764 802 HA GLU 108 HA GLU 108 -5.830 -27.070 -3.166 803 1HB GLU 108 HB2 GLU 108 -7.853 -25.879 -2.437 804 2HB GLU 108 HB1 GLU 108 -6.658 -25.980 -1.154 805 1HG GLU 108 HG2 GLU 108 -7.023 -23.540 -2.883 806 2HG GLU 108 HG1 GLU 108 -7.879 -23.790 -1.364 807 H ARG 109 HN ARG 109 -7.865 -26.520 -4.481 808 HA ARG 109 HA ARG 109 -7.270 -24.643 -6.660 809 1HB ARG 109 HB2 ARG 109 -6.471 -26.809 -7.428 810 2HB ARG 109 HB1 ARG 109 -7.974 -27.580 -6.945 811 1HG ARG 109 HG2 ARG 109 -9.181 -26.346 -8.666 812 2HG ARG 109 HG1 ARG 109 -7.691 -25.520 -9.132 813 1HD ARG 109 HD2 ARG 109 -8.258 -27.409 -10.629 814 2HD ARG 109 HD1 ARG 109 -6.697 -27.606 -9.835 815 HE ARG 109 HE ARG 109 -8.246 -28.984 -8.180 816 1HH1 ARG 109 HH11 ARG 109 -8.267 -28.982 -11.688 817 2HH1 ARG 109 HH12 ARG 109 -8.693 -30.660 -11.804 818 1HH2 ARG 109 HH21 ARG 109 -8.806 -31.193 -8.346 819 2HH2 ARG 109 HH22 ARG 109 -9.005 -31.908 -9.914 820 H SER 110 HN SER 110 -8.980 -23.340 -6.891 821 HA SER 110 HA SER 110 -11.595 -24.263 -5.896 822 1HB SER 110 HB2 SER 110 -10.538 -21.448 -6.289 823 2HB SER 110 HB1 SER 110 -12.148 -21.852 -5.693 824 HG SER 110 HG SER 110 -9.738 -22.698 -4.451 825 H GLN 111 HN GLN 111 -13.205 -24.573 -7.263 826 HA GLN 111 HA GLN 111 -12.990 -23.676 -10.039 827 1HB GLN 111 HB2 GLN 111 -14.963 -25.555 -8.707 828 2HB GLN 111 HB1 GLN 111 -14.969 -25.143 -10.414 829 1HG GLN 111 HG2 GLN 111 -13.946 -27.248 -10.266 830 2HG GLN 111 HG1 GLN 111 -12.635 -26.104 -10.534 831 1HE2 GLN 111 HE21 GLN 111 -11.142 -25.750 -8.900 832 2HE2 GLN 111 HE22 GLN 111 -11.032 -26.756 -7.498 833 H PHE 112 HN PHE 112 -14.484 -22.315 -10.982 834 HA PHE 112 HA PHE 112 -16.404 -20.981 -9.183 835 1HB PHE 112 HB2 PHE 112 -14.414 -19.687 -11.067 836 2HB PHE 112 HB1 PHE 112 -15.786 -18.831 -10.378 837 HD1 PHE 112 HD1 PHE 112 -12.621 -20.563 -9.539 838 HD2 PHE 112 HD2 PHE 112 -15.707 -17.955 -8.190 839 HE1 PHE 112 HE1 PHE 112 -11.277 -19.994 -7.560 840 HE2 PHE 112 HE2 PHE 112 -14.365 -17.387 -6.210 841 HZ PHE 112 HZ PHE 112 -12.146 -18.407 -5.894 842 H ARG 113 HN ARG 113 -18.288 -20.287 -10.117 843 HA ARG 113 HA ARG 113 -18.819 -21.074 -12.903 844 1HB ARG 113 HB2 ARG 113 -20.390 -22.050 -11.367 845 2HB ARG 113 HB1 ARG 113 -20.630 -20.518 -10.540 846 1HG ARG 113 HG2 ARG 113 -22.559 -20.990 -11.891 847 2HG ARG 113 HG1 ARG 113 -21.697 -19.616 -12.583 848 1HD ARG 113 HD2 ARG 113 -20.621 -21.191 -14.197 849 2HD ARG 113 HD1 ARG 113 -21.656 -22.473 -13.563 850 HE ARG 113 HE ARG 113 -23.129 -20.163 -14.415 851 1HH1 ARG 113 HH11 ARG 113 -21.677 -23.164 -15.506 852 2HH1 ARG 113 HH12 ARG 113 -22.684 -23.274 -16.912 853 1HH2 ARG 113 HH21 ARG 113 -24.424 -20.299 -16.260 854 2HH2 ARG 113 HH22 ARG 113 -24.239 -21.635 -17.356 855 H LYS 114 HN LYS 114 -19.322 -19.545 -14.425 856 HA LYS 114 HA LYS 114 -19.234 -16.733 -13.566 857 1HB LYS 114 HB2 LYS 114 -17.693 -17.642 -15.392 858 2HB LYS 114 HB1 LYS 114 -19.126 -17.738 -16.409 859 1HG LYS 114 HG2 LYS 114 -19.479 -15.360 -16.222 860 2HG LYS 114 HG1 LYS 114 -18.150 -15.221 -15.070 861 1HD LYS 114 HD2 LYS 114 -16.642 -16.123 -16.897 862 2HD LYS 114 HD1 LYS 114 -18.000 -15.898 -18.005 863 1HE LYS 114 HE2 LYS 114 -18.075 -13.515 -17.374 864 2HE LYS 114 HE1 LYS 114 -16.673 -13.759 -16.337 865 1HZ LYS 114 HZ1 LYS 114 -16.692 -14.230 -19.269 866 2HZ LYS 114 HZ2 LYS 114 -15.350 -14.330 -18.245 867 3HZ LYS 114 HZ3 LYS 114 -16.097 -12.834 -18.522 868 H ALA 115 HN ALA 115 -21.127 -15.809 -13.234 869 HA ALA 115 HA ALA 115 -23.354 -16.358 -15.075 870 1HB ALA 115 HB1 ALA 115 -24.930 -16.392 -13.187 871 2HB ALA 115 HB2 ALA 115 -23.580 -16.265 -12.058 872 3HB ALA 115 HB3 ALA 115 -23.753 -17.701 -13.067 873 H ARG 116 HN ARG 116 -24.413 -14.561 -15.715 874 HA ARG 116 HA ARG 116 -24.895 -12.364 -16.056 875 1HB ARG 116 HB2 ARG 116 -25.427 -12.835 -13.412 876 2HB ARG 116 HB1 ARG 116 -24.263 -11.529 -13.271 877 1HG ARG 116 HG2 ARG 116 -26.846 -11.435 -14.833 878 2HG ARG 116 HG1 ARG 116 -26.564 -10.710 -13.251 879 1HD ARG 116 HD2 ARG 116 -24.784 -9.303 -14.284 880 2HD ARG 116 HD1 ARG 116 -25.235 -9.963 -15.857 881 HE ARG 116 HE ARG 116 -27.445 -8.807 -14.438 882 1HH1 ARG 116 HH11 ARG 116 -24.771 -8.144 -16.597 883 2HH1 ARG 116 HH12 ARG 116 -25.450 -6.658 -17.181 884 1HH2 ARG 116 HH21 ARG 116 -28.337 -6.843 -15.220 885 2HH2 ARG 116 HH22 ARG 116 -27.453 -5.914 -16.389 886 H GLY 117 HN GLY 117 -22.076 -13.436 -16.101 887 1HA GLY 117 HA2 GLY 117 -20.088 -12.486 -16.850 888 2HA GLY 117 HA1 GLY 117 -20.719 -10.894 -16.452 889 H ARG 118 HN ARG 118 -21.387 -12.330 -13.727 890 HA ARG 118 HA ARG 118 -18.906 -11.508 -12.444 891 1HB ARG 118 HB2 ARG 118 -21.623 -12.287 -11.363 892 2HB ARG 118 HB1 ARG 118 -20.237 -12.014 -10.320 893 1HG ARG 118 HG2 ARG 118 -21.551 -10.040 -10.308 894 2HG ARG 118 HG1 ARG 118 -20.094 -9.695 -11.234 895 1HD ARG 118 HD2 ARG 118 -21.319 -9.924 -13.314 896 2HD ARG 118 HD1 ARG 118 -22.773 -10.407 -12.436 897 HE ARG 118 HE ARG 118 -22.360 -8.038 -11.350 898 1HH1 ARG 118 HH11 ARG 118 -22.199 -8.951 -14.736 899 2HH1 ARG 118 HH12 ARG 118 -22.603 -7.362 -15.304 900 1HH2 ARG 118 HH21 ARG 118 -22.910 -5.981 -12.092 901 2HH2 ARG 118 HH22 ARG 118 -23.003 -5.667 -13.799 902 H TRP 119 HN TRP 119 -17.576 -12.878 -11.291 903 HA TRP 119 HA TRP 119 -17.958 -15.732 -11.738 904 1HB TRP 119 HB2 TRP 119 -15.628 -14.049 -10.851 905 2HB TRP 119 HB1 TRP 119 -15.621 -15.794 -10.602 906 HD1 TRP 119 HD1 TRP 119 -15.161 -13.178 -13.299 907 HE1 TRP 119 HE1 TRP 119 -14.527 -14.361 -15.503 908 HE3 TRP 119 HE3 TRP 119 -16.090 -18.005 -11.934 909 HZ2 TRP 119 HZ2 TRP 119 -14.453 -16.971 -16.510 910 HZ3 TRP 119 HZ3 TRP 119 -15.720 -19.792 -13.582 911 HH2 TRP 119 HH2 TRP 119 -14.917 -19.283 -15.831 912 H TYR 120 HN TYR 120 -18.627 -17.088 -10.255 913 HA TYR 120 HA TYR 120 -18.753 -16.213 -7.442 914 1HB TYR 120 HB2 TYR 120 -20.738 -17.949 -8.947 915 2HB TYR 120 HB1 TYR 120 -20.824 -17.547 -7.237 916 HD1 TYR 120 HD1 TYR 120 -21.349 -15.219 -6.535 917 HD2 TYR 120 HD2 TYR 120 -21.481 -16.405 -10.625 918 HE1 TYR 120 HE1 TYR 120 -22.674 -13.219 -7.068 919 HE2 TYR 120 HE2 TYR 120 -22.803 -14.406 -11.165 920 HH TYR 120 HH TYR 120 -23.162 -11.804 -9.024 921 H PHE 121 HN PHE 121 -18.212 -17.716 -5.903 922 HA PHE 121 HA PHE 121 -16.525 -19.876 -6.664 923 1HB PHE 121 HB2 PHE 121 -16.012 -18.825 -4.613 924 2HB PHE 121 HB1 PHE 121 -17.668 -18.946 -4.029 925 HD1 PHE 121 HD1 PHE 121 -14.527 -20.792 -4.587 926 HD2 PHE 121 HD2 PHE 121 -18.473 -20.950 -2.987 927 HE1 PHE 121 HE1 PHE 121 -13.970 -22.880 -3.410 928 HE2 PHE 121 HE2 PHE 121 -17.924 -23.031 -1.814 929 HZ PHE 121 HZ PHE 121 -15.666 -24.001 -2.018 930 H SER 122 HN SER 122 -17.074 -21.882 -7.220 931 HA SER 122 HA SER 122 -19.795 -22.832 -6.682 932 1HB SER 122 HB2 SER 122 -17.652 -23.991 -8.490 933 2HB SER 122 HB1 SER 122 -19.330 -24.529 -8.389 934 HG SER 122 HG SER 122 -19.947 -22.434 -9.105 935 H GLU 123 HN GLU 123 -16.519 -24.254 -6.708 936 HA GLU 123 HA GLU 123 -16.927 -25.448 -4.111 937 1HB GLU 123 HB2 GLU 123 -16.503 -27.771 -4.949 938 2HB GLU 123 HB1 GLU 123 -18.060 -27.111 -5.431 939 1HG GLU 123 HG2 GLU 123 -17.048 -26.532 -7.642 940 2HG GLU 123 HG1 GLU 123 -15.595 -27.394 -7.140 941 H GLY 124 HN GLY 124 -14.967 -26.323 -3.232 942 1HA GLY 124 HA2 GLY 124 -12.508 -26.046 -4.726 943 2HA GLY 124 HA1 GLY 124 -12.753 -24.786 -3.522 944 H GLU 125 HN GLU 125 -10.840 -27.111 -3.811 945 HA GLU 125 HA GLU 125 -10.777 -27.836 -1.033 946 1HB GLU 125 HB2 GLU 125 -10.839 -30.288 -1.428 947 2HB GLU 125 HB1 GLU 125 -12.375 -29.509 -1.785 948 1HG GLU 125 HG2 GLU 125 -11.906 -29.596 -4.164 949 2HG GLU 125 HG1 GLU 125 -10.314 -30.285 -3.847 950 H ALA 126 HN ALA 126 -8.895 -29.485 -0.718 951 HA ALA 126 HA ALA 126 -6.541 -28.373 -1.790 952 1HB ALA 126 HB1 ALA 126 -6.587 -29.526 0.368 953 2HB ALA 126 HB2 ALA 126 -5.381 -30.240 -0.703 954 3HB ALA 126 HB3 ALA 126 -6.925 -31.054 -0.446 955 H VAL 127 HN VAL 127 -5.235 -28.982 -3.481 956 HA VAL 127 HA VAL 127 -6.528 -30.726 -5.448 957 HB VAL 127 HB VAL 127 -5.891 -28.435 -6.143 958 1HG1 VAL 127 HG11 VAL 127 -3.533 -27.864 -6.491 959 2HG1 VAL 127 HG12 VAL 127 -3.054 -29.384 -5.736 960 3HG1 VAL 127 HG13 VAL 127 -3.887 -28.154 -4.787 961 1HG2 VAL 127 HG21 VAL 127 -6.092 -30.191 -7.820 962 2HG2 VAL 127 HG22 VAL 127 -4.403 -30.638 -7.579 963 3HG2 VAL 127 HG23 VAL 127 -4.809 -29.063 -8.258 964 H ASP 128 HN ASP 128 -5.466 -32.410 -6.468 965 HA ASP 128 HA ASP 128 -3.373 -33.667 -4.897 966 1HB ASP 128 HB2 ASP 128 -3.810 -35.651 -6.314 967 2HB ASP 128 HB1 ASP 128 -5.267 -35.054 -5.532
Contact the webmaster for help, if required. Sunday, May 19, 2024 11:03:11 AM GMT (wattos1)